diff --git "a/data/data/QSAR/AKT1/akt1_train.csv" "b/data/data/QSAR/AKT1/akt1_train.csv"
new file mode 100644--- /dev/null
+++ "b/data/data/QSAR/AKT1/akt1_train.csv"
@@ -0,0 +1,16394 @@
+canonical,activity
+O=C(CSc1ncccc1C(=O)[O-])Nc1nc2c(s1)CCCC2,0
+CC(NC(=O)CCC1=c2ccccc2=[NH+]C1)c1cccc(S(N)(=O)=O)c1,0
+Cc1cccc(C)c1OCCNC(=O)NCC(O)C[NH+]1CCC(C)CC1,0
+CC(=O)c1ccc(NC(=O)C(C)N2CC[NH+](CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1,0
+C[NH+]1CCCC(CNC(=O)C2(C(N)=S)CCCCCC2)C1,0
+CC(C)C(=O)N1CCC2=c3ccccc3=[NH+]C2C12C(=O)Nc1ccc(Br)cc12,0
+Cn1nccc1-c1coc(C(=O)NC2CNCCC2c2ccc(Cl)cc2)c1,1
+CC(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NC(C(=O)Nc2ccc(F)cc2)C(C)C)CC1,0
+Cc1ccc(S(=O)(=O)N=C2N=c3ccccc3=[NH+]C2Nc2cccc(-c3ccc([N+](=O)[O-])cc3)c2)cc1,0
+CC1CCCC[NH+]1CCCNC(=O)c1cn2c(n1)CCC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2,0
+O=C(CCn1nc([O-])ccc1=O)Nc1ccc(Cl)cc1F,0
+CCOc1cccc(C2NC(N)=[NH+]c3nc4cc5c(cc4n32)OCCCO5)c1OC,0
+COc1ccc2[nH]c3c(c2c1)CC[NH2+]C3c1c(O)nc(O)n(-c2cccc3ccccc23)c1=O,0
+CCc1oc2ccccc2c1C[NH+](C)C(C)C(=O)Nc1sc2c(c1C(N)=O)CCC2,0
+CC(c1nc2ccccc2c(=O)[nH]1)N(CCCCCC[NH3+])C(=O)C1CCCCC1,0
+CC(NC(=O)C[NH+]1CCCC1c1nc2ccccc2s1)c1ccc(S(N)(=O)=O)cc1,0
+Cn1c(NNC2=c3ccccc3=[NH+]C2=O)nc2c1c(=O)[nH]c(=O)n2C,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cccc(F)c1O,1
+NC(=O)COc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1,1
+CC1(C)Cc2c(cnn2-c2ccc(F)cc2)C([NH2+]Cc2ccc(O)cc2)C1,0
+CC[NH+](CC)CC(C)NS(=O)(=O)c1c(Br)cc(N)cc1Br,0
+O=C(COc1ccc([N+](=O)[O-])cc1)NN=Cc1ccc(OC(=O)c2cccc(Br)c2)cc1,0
+O=C(NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1)c1ccc(F)cc1,1
+Cc1ccc(NC(=O)C[NH2+]Cc2ccc(Br)s2)cc1,0
+Cc1cccc2sc(Nc3ncnc(NC4CC(C)(C)[NH2+]C(C)(C)C4)c3[N+](=O)[O-])nc12,0
+COc1ccc(CNC(=O)CCC2CNC(=O)C3C(CCN3Cc3ccc(C)cc3)[NH+]2C)cc1,0
+CCn1nc(C)c(CN(CC[NH+]2CCCCC2)CC2CCC[NH+](C3CCCC3)C2)c1C,0
+Cc1ccc(C)c(NC(=O)C[NH+](C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1,0
+CC(Cc1ccsc1)NS(=O)(=O)c1ccc(CC[NH3+])cc1,0
+CC(C)(C)CC(C)(C)NC(=O)C(c1ccc(Cl)cc1)N(C(=O)c1cccc(O)c1O)C(C)(C)C,0
+Cn1c(CC(=O)N2CC(C)(C)c3c(Cl)cccc32)nc(N2CCOCC2)cc1=O,1
+Cc1ccccc1C(C(=O)NC(C)(C)CC(C)(C)C)N(C(=O)c1ccco1)c1ccccc1,0
+C[NH+](C)C1CCN(Cc2ccc(NN)c([N+](=O)[O-])c2)CC1,0
+CCOc1ccc(NC(=O)C(NC(=O)C2CCN(C(=O)C3CCC[NH2+]3)CC2)C(C)C)cc1,0
+COc1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)C3c2ccc(Cl)cc2Cl)cc1,0
+CCOC(=O)C1=C(CSC(=[NH2+])NC2CC2)NC(=O)NC1c1ccco1,0
+CCCC(C)NC(=O)C1CN(C(=O)c2sccc2C)CC12CC[NH2+]CC2,0
+C[NH+](CC(=O)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1)Cc1ccc(C(C)(C)C)cc1,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4c(F)cc(F)cc4F)c3)cc12,1
+Cc1c(NCCN2CCCC2)cc(COCC(F)(F)F)cc1N1CCN(c2ncnc3[nH]nc(Br)c23)CC1,1
+CC1=CC2=[NH+]C(c3ccccc3)C(n3nnc4ccccc43)C(O)N2N1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1c2ccccc2CC1c1ccc(F)cc1,1
+CC([NH2+]CCS(N)(=O)=O)c1ccc(F)c(Br)c1,0
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(c5nnc(-c6ccccn6)[nH]5)CC4)cc3)nc2n1,1
+CCc1ccc(C2=NC(c3ccc(F)cc3)[NH2+]C(c3ccccc3O)C2)cc1,0
+CCC([NH3+])C(c1ccc(Br)s1)N1CCOC2CCCCC21,0
+CNC(=O)C1CC([NH2+]C2C3CC4CC(C3)CC2C4)CN1Cc1ccccc1Cl,0
+O=C(C[NH2+]CC1CCCO1)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2,0
+CC(NC(=O)C1Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C3CCCCC3)CC12)c1ccccc1,0
+C[NH+]1CCN(C(=O)C(=NNc2ccccc2C(F)(F)F)C(N)=S)CC1,0
+Cc1ccc(C=NNc2nc(SCC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)n[nH]2)o1,0
+NC(=O)C(NC(=O)NCC1CCC[NH+]1CC1CCCCC1)C(N)=O,0
+CC([NH3+])C(Sc1n[nH]c(=O)n1C(C)C)c1ccc(Br)s1,0
+COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=S)Nc2c(C)cccc2C)c1,0
+Nc1ncnc2nc(-c3ccc(CN4CCC(n5cnc6c(N)ncnc65)CC4)cc3)c(-c3ccccc3)cc12,1
+CCC(C)[NH+]=C(N)SCC(=O)N(C)CC(=O)Nc1ccccc1Cl,0
+CCn1c(-c2nonc2N)nc2cncc(OC3CCNCC3)c21,1
+CC[NH+]1C(SCC(=O)Nc2nc(C)cs2)NNC1c1ccccc1O,0
+CC(C)[NH+](CC(N)=O)CC(=O)Nc1ccc(I)cc1,0
+Cc1cccc(C)c1NC(=O)CNC(=O)C(C)[NH+](C)CC(=O)NC(C)C,0
+COc1cc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4C#N)CC3)n2)ccc1F,1
+Oc1ccccc1-c1ccc(C(CNCl)N2CC[NH2+]C(c3ccccc3O)C2)cc1,0
+CC([NH3+])(CCOc1c(Br)cc([N+](=O)[O-])cc1Br)C(N)=O,0
+Cc1ccc(C(C)NC(=O)C2CN(C(=O)c3cccc(Cl)c3)CC23CC[NH2+]CC3)cc1,0
+CCC(=O)N1CCN(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)OC3)CC1,0
+CC(C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[NH+](C(C)C(=O)NC2CC2)CC1,0
+COc1ccc2c(c1)=C(CCNC(=O)C1NN(c3ccccc3)NC1C)C[NH+]=2,0
+N#CC1(C#N)C(C(=O)C23CC4CC(CC(C4)C2)C3)C1c1cc2c(cc1Cl)OCO2,0
+O=C1NCC(CCC(=O)N2CCCC2)[NH+]2CC(NC(=S)Nc3ccc(-n4cccn4)cc3)CC12,0
+Cc1cccc(C)c1NC(=O)C1=CC2=[NH+]C(C3CC3)CC(C(F)(F)F)N2N1,0
+CN(Cc1cc(Br)cs1)c1ccc(Cl)cc1C(N)=[NH2+],0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cccc(OCCO)c1,1
+CC[NH+]1CCc2c(sc(-n3cccc3)c2C(C)NC(=O)Nc2ccc(C)c(C)c2)C1,0
+CCOC(=O)c1ccc(NC(=S)NNC(=O)c2ccc(COc3ccc(C)cc3[N+](=O)[O-])o2)cc1,0
+CCn1c(CN(C)Cc2nc3ccccc3c(=O)[nH]2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21,0
+CC(C)[NH2+]CC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1,0
+COc1ccccc1NC(=O)c1cc2c(CO)cnc(C)c2oc1=[NH+]c1cccc(C(N)=O)c1,0
+Nc1ncccc1-c1nc2cc(-c3ccccc3)cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,1
+CCC1CN(S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC(C)S3)c2cc(C)ccc2O1,0
+Cc1c(O)cc2c(c1C)OC(C)(CCCC(C)C)CC2,1
+Nc1nc(N)c2cc(-c3ccccc3)c(-c3ccc(CN4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)nc2n1,1
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cc(F)ccc1O,1
+CCCOc1ccc(C(O)CC[NH+](C)C2CCCCC2)cc1N,0
+CC(C)CCCC(C)NC(=O)C1C[NH2+]CC1C(=O)NCc1cc(F)ccc1F,0
+CCOc1cc(C[NH3+])cc(Br)c1OCCc1scnc1C,0
+COc1nn2cc(-c3c(F)cccc3F)c(-c3ccc(CN4CCC(c5n[nH]c(-c6cccc(C)n6)n5)CC4)cc3)nc2c1CO,1
+COc1cccc(NC(=S)N(Cc2ccccc2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1,0
+N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCNCC2CC2)CC1,1
+CC[NH+](CC)CCNC(C)(C(N)=O)c1ccc(F)c(Br)c1,0
+CC(C)[NH+](CC(N)=O)C(C)C(=O)c1ccc(Br)cc1,0
+O=C(O)c1ccc2nc(-c3ccc(CN4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)c(-c3ccccc3)nc2c1,1
+NC(=[NH+]N=Cc1cc(Br)ccc1OC(=O)c1ccccc1)c1nonc1N,0
+CC(C)(C)NC(=O)C[NH+]1CC(O)CC1C(N)=O,0
+COc1ccc(S(=O)(=O)C(CNC(=O)Nc2ccc(Cl)c(Cl)c2)c2ccc(N(C)C)cc2)cc1,0
+CCOc1c(Cl)cc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)C3c2ccccc2F)cc1Cl,0
+COc1ccc(CCN2C(C)C(C)C(C3[NH+]=c4ccccc4=[NH+]3)C2NC(=O)c2ccco2)cc1,0
+COC(=O)c1ccccc1N(C)c1nc[nH+]c(Nc2ccc(C(C)C)cc2)c1N,0
+CC(C)[NH2+]C(C)(CCCSc1ccccc1Cl)C(N)=O,0
+Cc1[nH]ncc1CCC[NH2+]Cc1cc(Br)c(Br)o1,0
+CC1(C)CC(Nc2ncnc(Oc3ccc(Br)cc3)c2N)CC(C)(C)[NH2+]1,0
+CC[NH+](CC)CCOc1ccc(CNS(=O)(=O)c2ccc(N)cc2)cc1,0
+CSNCC(c1ccc(-c2ccccc2O)cc1)N1CC[NH2+]C(c2ccccc2O)C1,0
+O=C1[NH+]=c2ccc(Cl)cc2=C(c2ccccc2)C1C1=NN(C(=O)c2ccco2)C(c2ccccc2F)C1,0
+O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)C1=O)N1CCCC1,0
+COc1ccc(CC(N)C(=O)N2CCN(c3ncnc4ccccc34)CC2)cc1,1
+N#Cc1cccc(-c2cnc3cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nn23)c1,1
+CC(C)NC(=O)C1CC(Sc2nc3ccccc3[nH]2)C[NH+]1C1Cc2ccccc2C1,0
+Cc1cccc(C(=O)N2CC(C(=O)NC(C)CCCC(C)(C)O)C3(CC[NH2+]CC3)C2)c1,0
+CC([NH3+])C(=O)N1CC(C(N)=O)Oc2ccccc21,0
+CC(NS(=O)(=O)c1ccc(C#CCO)cc1)c1ccsc1,0
+O=C(NCCOc1ccccc1)C1C(O)CCC2C[NH+]3CCc4c([nH]c5ccccc45)C3CC21,0
+c1ccc(CNc2nc3ccc(-c4ccncc4)cc3s2)cc1,1
+CNC(=O)c1ccc(NC(=O)NCCC[NH+](C)Cc2ccccc2)c(C)c1,0
+COc1ccc(-c2n[nH]cc2C[NH2+]CCC2CC3C=CC2C3)c(F)c1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cccc(Cl)c1,1
+COc1cc(CCNC(=O)C2CN(C(=O)c3cccc(Cl)c3Cl)CC23CC[NH2+]CC3)cc(OC)c1,0
+NS(=O)(=O)c1cc2c(cc1Cl)NC(c1ccc3ccccc3c1)NS2(=O)=O,0
+CC1OCc2ncnc(N3CCN(C(=O)C(Cc4ccc(Cl)c(F)c4)CC(C)(C)N)CC3)c21,1
+COc1cccc(C(=O)NCC(C2=c3ccccc3=[NH+]C2)c2ccccc2Cl)c1OC,0
+NC(=O)C1CCN(C(=O)NCC2CCC[NH+]2CC2CCCCC2)C1,0
+Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(F)c4)cn3CCN3CCCC3)CC2)c1Br,1
+COc1cccc(C(C(=O)NC(C)(C)CC(C)(C)C)N(C(=O)c2cccc(O)c2O)C(C)(C)C)c1,0
+CNC(=O)NC(=O)C[NH+](CC(=O)NC(=O)NC)C1CC1,0
+O=C(Nc1ccccc1F)N1CC[NH+](CCN(Cc2ccc(F)cc2)C(=O)c2cccc(Cl)c2)CC1,0
+CC(C)CN1CCC(C(NC(=O)c2ccc3cnccc3c2)c2ccc(Cl)c(Cl)c2)CC1,1
+Cn1ncc(Br)c1-c1cc(C(=O)NC2CNCCC2c2ccc(Cl)cc2)n(C)c1Br,1
+CC([NH2+]CC(=O)N(Cc1ccco1)C1CCS(=O)(=O)C1)c1ccc(S(N)(=O)=O)cc1,0
+Cc1ccc(S(=O)(=O)N=C2[NH+]=c3ccccc3=[NH+]C2Nc2ccc3c(c2)OCCO3)cc1C,0
+O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1cccc2ccccc12,1
+CCc1ccccc1NC(=O)C[NH+](C)CC(=O)NC(=O)NCCOC,0
+NS(=O)(=O)c1ccc(NC(=O)CSC2[NH+]=c3cc(Br)cnc3=[NH+]2)cc1,0
+CC(NC1C[NH+]2CCC1CC2)c1ccc(S(N)(=O)=O)cc1,0
+CCOc1ccc(Nc2sc(C(=O)c3ccc(C)cc3C)c(N)c2S(=O)(=O)c2ccccc2)cc1,0
+Cc1ccc(Cl)cc1N(CC(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)S(=O)(=O)c1ccccc1,0
+CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)C(C)Oc1ccccc1F)C2=O,0
+NNc1nc(NN)c2c([nH+]1)CC1=C2CC(c2ccccc2)SC1c1ccccc1,0
+COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)c1ccc(OC)c(OC)c1,0
+CC1SCc2ncnc(N3CCN(C(=O)C(N)Cc4ccc(F)cc4)CC3)c21,1
+O=S(=O)(Nc1cc(-c2ccc3nccn3n2)cnc1Cl)c1ccc(F)cc1,1
+O=C(C=Cc1ccccc1)N(CCC[NH+]=c1cc(O)oc2ccccc12)Cc1ccccc1,0
+O=C(NNC1=c2cc([N+](=O)[O-])ccc2=[NH+]C1=O)C(=CC=Cc1ccccc1)NC(=O)c1ccccc1,0
+COCC(O)C[NH+](C)CC(=O)Nc1c(Br)cc(Br)cc1Br,0
+CC(=NNC(=N)N)c1cc(NC(=O)c2cccc(C(=O)Nc3cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c3)c2)cc(C(C)=NNC(=N)N)c1,1
+CCc1ccc(S(=O)(=O)NC2C[NH+]3CCC2CC3)cc1N,0
+Oc1c(Br)cc(Br)cc1C=NN1C(=S)[NH+]=NC1c1ccc(Cl)cc1,0
+CN(CC(F)(F)F)S(=O)(=O)c1ccc(C#CC[NH3+])cc1Cl,0
+O=C(c1cccs1)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1,0
+CC(CC(=O)N1CCOCC1)[NH2+]C(C)C(O)c1ccc(O)cc1,0
+CC1(C)CC(N2CN(C3CC(C)(C)N(O)C(C)(C)C3)C[NH+](C3CC(C)(C)N(O)C(C)(C)C3)C2)CC(C)(C)N1O,0
+Cc1cc(O)oc2cc(=[NH+]CC(=O)Nc3ccc(C(F)(F)F)cc3)ccc1-2,0
+COc1ccccc1CNC(=O)C(NC(=O)C1CCN(C(=O)C([NH3+])CCSC)CC1)C(C)C,0
+O=C(NCCOc1ccccc1)C1C[NH2+]CC1C(=O)NC1CCCc2ccccc21,0
+NCC(NC(=O)c1ccc(-c2ccnc3[nH]ccc23)s1)c1ccccc1,1
+C[NH+]1CCc2c(sc3c2C(O)=NC(c2ccc(OC(=O)c4ccc5c(c4)OCO5)cc2)N3)C1,0
+CCC([NH3+])C(c1ccccc1Br)N(CC(F)(F)F)C(C)C,0
+CCC[NH+]1Cc2cccc(NC(=O)C(=O)NCC(C)(C)[NH+]3CCCCC3)c2C1,0
+COc1ccc(C(=O)Nc2ccccc2C(=O)NC(C(=O)NNC(=O)c2ccccc2)C(C)C)cc1,0
+CC[NH+]1CCN(CC(O)COc2ccc(C[NH2+]C3CCC(O)CC3)cc2OC)CC1,0
+NC(COc1cncc(-c2ccc3nnccc3c2)c1)Cc1c[nH]c2ccccc12,1
+CCC(Sc1nc2n[nH]c(C)c2c(=[NH2+])n1-c1ccc(C)c(Cl)c1)C(=O)NCc1ccco1,0
+CCOc1ccc(NS(=O)(=O)c2ccc(CC[NH3+])s2)cc1,0
+CCOC(=O)C1=C(C[NH2+]C(C)C23CC4CC(CC(C4)C2)C3)NC(=O)NC1c1cc(C)ccc1C,0
+CCC(C)n1c(N)c(CN2CC[NH+](C)CC2)c(=O)[nH]c1=O,0
+Cc1ccc(C)c(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)c1,0
+CC([NH2+]C(C)c1ccc(Cl)cc1)C(=O)Nc1sccc1C(N)=O,0
+CCCC(C)([NH3+])C(=O)Nc1ccc(Br)cc1Br,0
+CCOc1ccccc1NC(=O)CSc1nc2n[nH]c(C)c2c(=[NH2+])n1-c1ccccc1Cl,0
+Cc1cnn(C)c1-c1ccc(C(=O)NC2CNCCC2c2cccc(F)c2)s1.Cl,1
+Cc1c[nH]c2ncnc(N3CCC(N)(CNC(=O)c4ccc(Cl)cc4)C3)c12,1
+Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CCN3CCC3)CC2)c1[N+](=O)[O-],1
+CCCCC(C)C(=O)N1CC(C(=O)NC(C)c2c(C)n[nH]c2C)C2(CC[NH2+]CC2)C1,0
+Cc1cc(C)cc(NCc2ccc3[nH+]c(NCC(O)CO)n(Cc4[nH+]c(C)ccc4[O-])c3c2)c1,0
+CCCCNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1CC[NH+](C(C)C)C(C)C,0
+NC(COc1cncc(-c2ccc3[nH]nc(N4CCOCC4)c3c2)c1)Cc1c[nH]c2ccccc12,1
+O=C(Nc1ccccc1)C1CC(=O)N(CCCc2ccccc2)C(=Nc2cccc(Cl)c2)S1,0
+Nc1ncnc(N2CCC(c3nc(-c4ccc(C(F)(F)F)c(F)c4)cn3CCN3CCCC3)CC2)c1Br,1
+CCOC(=O)C1CC[NH+](C(c2cccc(Cl)c2)c2c(NC(C)=O)sc3c2CCCC3)CC1,0
+Cc1ccc(C=CC2=Cc3c(sc(NC(=O)CSc4nnc(N)s4)c3C#N)C(C)(C)C2)o1,0
+CCN(CC)c1nc2c(c(=O)n(C)c(=O)n2C)n1CCC[NH2+]CC(O)c1ccc(O)c(O)c1,0
+COC1=CC(=CNNC(=O)C2COc3ccccc3O2)C=C(Cl)C1=O,0
+CC(c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC(=O)NCCCc1ccccc1,0
+CN(C)C(=O)c1ccc2c(c1)OCn1c-2nc(-c2ccc(C3(N)CC(C)(O)C3)cc2)c1-c1ccccc1,1
+O=C(C1CC=CCC1C(=O)N1CCN(c2c(Cl)cncc2Cl)CC1)N1CCN(c2cccc[nH+]2)CC1,0
+CCC(C)CC(=O)N1CC(C(=O)NC2C[NH+]3CCC2CC3)C2(CC[NH2+]CC2)C1,0
+Cc1ccc(C(C)[NH+](C)Cc2csc(-c3ccc(C(N)=O)cc3)n2)cc1,0
+CC(C)(C)CC(C)(C)Nc1c(-c2ccc(OS(=O)(=O)c3ccccc3)cc2)[nH+]c2ccccn12,0
+CC1CC[NH+](CC(O)CNC(=O)NC(C)c2ccc(Br)cc2)CC1,0
+CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(Cl)cc3)cn2CCN2CCCC2)CC1,1
+O=C(NN=Cc1ccc(OC(=O)c2ccccc2)c([N+](=O)[O-])c1)c1cccc(Br)c1,0
+COc1cc2c(cc1O)CC[NH+](CC1C(=O)OC3CC4(C)CCCC(C)C4=CC31)C2C,0
+NCC(NC(=O)c1ccc(-c2ccncc2)cc1)c1ccccc1,1
+CCNC(=O)C(C)NC(=O)C(C)Sc1ccc(Br)cc1,0
+CC(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(N2CCCC2=O)c1,0
+CC1(C)CC([NH2+]Cc2cc3ccccc3[nH]2)C2CNN(c3ccc(F)cc3)C2C1,0
+CCOCC(=O)NNC(=O)NCC(C)(C)[NH+]1CCCC(C)C1,0
+NC(=O)c1cccc([NH+]=c2oc3ccc(Br)cc3cc2-c2nc3ccccc3[nH]2)c1,0
+O=c1[nH]ccc2nc(-c3ccc(CN4CCC(c5nnc(-c6ncccn6)[nH]5)CC4)cc3)c(-c3ccccc3)cc12,1
+CC1=c2c([O-])nn(C)c2=NC(=O)C1CCC(=O)NCCc1ccc(-n2nc(C)cc2C)cc1,0
+O=C(NCCC1=c2ccccc2=[NH+]C1)C1=NNSC1NC(=O)N1CCN(c2cccc[nH+]2)CC1,0
+CC1[NH+]=c2ccccc2=C1C(=O)C(C)N1CCN(C(=O)C2COc3ccccc3O2)CC1,0
+O=C(NCC(F)(F)F)C1CCCC(C(=O)NCC(F)(F)F)C1,0
+CCC[NH2+]C(c1cc2[nH]c(=O)[nH]c2cc1Br)C1CCC1,0
+NC1(c2ccc(-c3nnc4n3-c3cc(-c5ccccc5)cnc3Nc3ccccc3-4)cc2)CCC1,1
+Cc1ccc(S(=O)(=O)N(Cc2c(-c3ccc(F)cc3)noc2N2CC[NH+](C)CC2)CC2CCCO2)cc1,0
+C[NH+](Cc1cc(C(C)(C)C)cc(Br)c1O)Cc1cc(C(C)(C)C)cc(Br)c1O,0
+O=C1Nc2cc(F)cc(F)c2C1[NH2+]C1CCOCC1,0
+CCN(CC)c1ccc(CNC(=O)NCC2(O)CCCc3ccccc32)c[nH+]1,0
+CCCCN(C(=O)C[NH+]1CC(C)CC(C)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,0
+Cc1[nH+]nc(N(C)C2CCS(=O)(=O)C2)c(C(N)=NO)c1C,0
+O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12,0
+Cc1cc(OCC(O)C[NH2+]C2CCCC(C)C2C)c(C(C)C)cc1Cl,0
+COC(=O)c1cnn2cc(-c3c(F)cccc3F)c(-c3ccc(CN4CCC(c5n[nH]c(-c6cccc(C)n6)n5)CC4)cc3)nc12,1
+CN1CCc2c(C#N)c(N3CCCCC3)nc(N3CCCCC3)c2C1,0
+CCc1cccc(C)c1NC(=O)Cn1c(NCC(C)O)[nH+]c2ccccc21,0
+CCC1CCCCN1S(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3ccc(OC)cc3s2)cc1,0
+COc1cc(OC)cc(C(=O)NC(C)C(=O)N2CCC3(CC2)NCCc2[nH]c[nH+]c23)c1,0
+CNC(=O)C1C(=NNc2ccc(Cl)cc2)C[NH+](C2CCCCC2)C1C(=O)NC,0
+CC([NH2+]C(C)c1ccc(C(C)(C)C)cc1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O,0
+O=C(CC1C(=O)NCC[NH+]1Cc1ccccc1F)NCc1cc2cc(Cl)ccc2[nH]1,0
+CC(C)C[NH2+]CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)C[NH2+]C(C)(C)C)cc2)cc1,0
+CCOC(=O)C(CC1=c2ccccc2=[NH+]C1)NC(=O)CCC(=O)Nc1ccc(S(N)(=O)=O)cc1,0
+NC(=[NH2+])c1cc(Cl)ccc1Oc1cccc(Br)c1,0
+NC(=O)C([NH2+]Cc1cccs1)(c1ccc(Cl)cc1)C1CC1,0
+CC(c1nc2ccccc2c(=O)[nH]1)N(CCCCCC[NH3+])C(=O)c1ccc(F)cc1,0
+COc1ccc(C)cc1Nc1[nH+]cnc(N(C)c2ccccc2)c1N,0
+COc1ccc2c(c1)=C(CCNC(=NC(=O)Nc1cccc(Cl)c1)Nc1nc(C)cc(C)n1)C[NH+]=2,0
+O=C1N=C([O-])C(=Cc2ccc(SC3[NH+]=c4ccccc4=[NH+]3)o2)C(=O)N1c1ccc(Br)cc1,0
+NC(=[NH2+])c1c(F)cccc1OCc1sccc1Br,0
+Nc1ncccc1-c1nc2ccc(-c3cccnc3)nc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,1
+N#CCN(CC#N)c1ccc(N)cc1C(=O)[O-],0
+CC1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC[NH3+])C1=O,0
+C[NH+](C)C(C)(C)CNC(=O)CNC(=O)NCc1ccco1,0
+CNC(=O)NC(C)(C)C(=O)NCc1ccccc1C[NH+]1CC(C)CC(C)C1,0
+CCCCC(NC(N)=O)C(=O)N1CC([NH+](C)C)Cc2ccccc21,0
+CC[NH+]1CCN(C(c2cccs2)C(C)[NH+]=C([S-])NC2CCCCC2)CC1,0
+CCOc1ccc(C2C3[NH+]=c4ccccc4=C3CCN2C(=O)c2cc3cc(Br)ccc3o2)cc1,0
+CCOc1cccc(C2CC(c3ccc(C)c(C)c3)=NC3(CC[NH+](C)CC3)N2)c1O,0
+CC(OC(=O)c1ncc[nH]c1=[NH2+])C(=O)Nc1ccccc1C#N,0
+Cc1cc(Br)c(NC(=O)C[NH+](C)CCOc2ccccc2F)c(Br)c1,0
+NC(NCCc1cc(Br)ccc1F)=[NH+]Cc1ccco1,0
+CCC[NH2+]Cc1cc(Br)c(OC(C)C(N)=O)c(OCC)c1,0
+C[NH+](CC(=O)Nc1sccc1C(N)=O)Cc1ccc(-c2ccc(Br)cc2)o1,0
+Cc1ccc(C(C)[NH2+]CC(=O)Nc2ccc(Br)cc2)o1,0
+Cc1ccc(N2C(=O)NC(=O)C(=CNCCN3CC[NH2+]CC3)C2=O)cc1,0
+O=S(=O)(NCCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccccc1,1
+CC(C)(C)C1CCc2c(sc(NC(=S)NC(=O)c3ccc4ccccc4c3)c2C(N)=O)C1,0
+CC(C)CNC(=O)NC(=O)CN1C(=O)NC(C)(c2ccccc2)C1=O,0
+NS(=O)(=O)c1cccc(NC(=O)c2ccc(NC(=O)C[NH+]3CCCC3c3cccs3)cc2)c1,0
+C[NH+]1CCCCC1CNS(=O)(=O)c1ccc(Br)cc1N,0
+COc1cc(C2CC(=O)Nc3cc4c(cc32)OCO4)ccc1O,0
+CCOc1cccc2c1-c1nc(-c3ccc(C4(N)CC(C)(O)C4)cc3)c(-c3ccccc3)n1CO2,1
+CC(C)[NH+](CC(N)=O)CC(=O)Nc1ccccc1I,0
+CC1CC(C(=O)NCC2([NH+](C)Cc3ccccc3)Cc3ccccc3C2)NC(=S)N1,0
+O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1Sc1nnc(NCC2CCCO2)s1,0
+NCC(NC(=O)c1cc(-c2ccnc3[nH]ccc23)cs1)c1ccccc1,1
+CC(C)NS(=O)(=O)c1ccc(NC(=O)C(C)[NH+]2CCC(C3=c4ccccc4=[NH+]C3)CC2)cc1,0
+Cc1ccccc1C(=O)N1CC(C(=O)NC(C)CCCC(C)(C)O)C2(CC[NH2+]CC2)C1,0
+COC(=O)c1cc(Br)cc(Br)c1NC(=O)C1CC1[NH3+],0
+Cc1ccc(S(=O)(=O)N2CCC3(CC2)OCCCO3)cc1Cl,0
+CSCCC(NC(N)=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1,0
+NN1C(SCC(=O)Nc2ccc(Br)cc2F)NNC1C1C=C(c2ccc(F)cc2)N=N1,0
+CCOC(=O)C[NH+]1C(c2ccc(OC)cc2OC)Nc2ccc(Br)cc2C1c1ccccc1,0
+C[NH+](C)CCCCNC(=O)C1CN(C(=O)c2ccc3ccccc3c2)CC12CC[NH2+]CC2,0
+CC1OCc2ncnc(N3CCN(C(=O)C(N)Cc4ccc(Cl)cc4)CC3)c21,1
+c1ccc(-c2cc3c(ccn4cnnc34)nc2-c2ccc(CN3CCC(c4n[nH]c(-c5ccccn5)n4)CC3)cc2)cc1,1
+CC12CCC(C(=O)Nc3ccccc3[N+](=O)[O-])(CC1=NOC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C2(C)C,0
+CCCC[NH+]1CCC(CNC(=O)C2CN(C(=O)c3ccc(OCC)cc3)CC23CC[NH2+]CC3)CC1,0
+O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCCOCC2)cn1,1
+CCCCC(C)C(=O)N1CC(C(=O)NCCCn2cc[nH+]c2)C2(CC[NH2+]CC2)C1,0
+CCCC[NH+]1Cc2cccc(NC(C)C(=O)Nc3sccc3C(N)=O)c2C1,0
+Cc1n[nH]c2ccc(-c3cncc(OCCN)c3)cc12,1
+CC(C)(CNC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)[NH+]1CCCCC1,0
+N#Cc1cnc(-c2ccc(CN3CCC(c4nc5cc(F)ccc5[nH]4)CC3)cc2)c(-c2ccccc2)c1,1
+C[NH+](Cc1ccccc1NC(=O)CCCCC1SCC2NC(=O)NC21)C1CCCCC1,0
+CC(C)(C)c1ccc(C(Cn2cnc3c4c(sc3c2=O)SCC(=O)N4)[NH+]2CCCCC2)cc1,0
+OCC1OC(C[NH2+]Cc2cccc(Cl)c2)C(N2CCN(c3cccc[nH+]3)CC2)C1O,0
+O=C(C[NH2+]C(c1ccc(F)cc1)c1cccs1)Nc1cc(F)cc(F)c1,0
+COc1ccc(C(CNC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)[NH+]2CCCCC2)cc1,0
+CCCNC(=O)NC(C)(C)C(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1,0
+CC(OC(=O)c1cc(Br)ccc1O)C(=O)Nc1sc2c(c1C(N)=O)CCC2,0
+C[NH+]1CCN(c2ccccc2NC(=O)CSc2nc(-c3ccc(Br)cc3)cs2)CC1,0
+O=C(Nc1ccc(Br)cc1Br)C1CC(O)C[NH2+]1,0
+C=Cc1cnc2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nn12,1
+Cc1cc(-c2cc(=O)[nH]c(CC(=O)N3CCc4c(F)cccc43)n2)ccn1,1
+CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cc(C(N)=O)ccc3-4)cc2)C1,1
+Nc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4cc(CO)ccc4F)cc3)c12,1
+COC(=O)C1NC(O)(C(=O)[O-])SC1(C)C,0
+CC[NH+]1CCN(CC(O)COc2ccc(C[NH+](CC)CCO)cc2OC)CC1,0
+Cc1ccccc1C=Nn1cnc2sc(C)c(C)c2c1=O,0
+CCN(c1ccccc1)c1nc[nH+]c(Nc2cc(C)cc(C)c2)c1N,0
+OCC[NH+](CC(O)COC1CCCCC1)CC(O)Cn1ccc2ccccc21,0
+Cl.Cn1ncc(Cl)c1-c1ccc(C(=O)NC2CNCCC2c2ccc(Cl)cc2)s1,1
+CNCC(Nc1nc(C)nc2c(C(N)=O)cccc12)c1cccc(F)c1,1
+O=S(=O)(NC(=S)NC1CCCCC1)c1c[nH+]ccc1NC1CCCCCCC1,0
+CNC(=O)NC(=O)C(C)Nc1ccc(CC[NH+]2CCSCC2)cc1,0
+Nc1nccc2cc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)ccc12,1
+Cc1cccc(C)c1OCC(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1,0
+OC(C[NH2+]CC1COc2ccccc2C1)COc1ccc(Cl)cc1Cl,0
+COc1ccc2c(c1)=[NH+]C(SCC(=O)NCC(=O)Nc1cc(C)ccc1OC)[NH+]=2,0
+CCCC[NH+]1CCCCC1CNC(=O)NCCC[NH+]1CCCC1C(=O)N(C)C,0
+c1ccc(-c2cc3cnccc3nc2-c2ccc(CN3CCC(c4n[nH]c(-c5ccccn5)n4)CC3)cc2)cc1,1
+CCCCCOc1cccc(C2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C)cc4)ccc32)c1,0
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CNCCc4cccnc4)cc3)nc2n1,1
+CCc1c(N)ncnc1N1CCC(c2nc(-c3cnc(N(C)C)nc3)cn2CCN2CCC2)CC1,1
+Cc1ccc2nnc(C3([NH3+])CCCC(C)C3)n2n1,0
+O=S(=O)(c1ccccc1)N1CCC2(CC1)NCC[NH+]=C2NCc1ccc(F)c(Cl)c1,0
+Cc1nn(C)c(Cl)c1C=CC(=O)Nc1ccsc1C(=O)[O-],0
+O=C(NCc1cc2ccccc2[nH]1)C1CN(C(=O)c2ccc3ccccc3c2)CC12CC[NH2+]CC2,0
+O=C(Nc1ccc(Br)cc1Br)C1CC(O)C[NH2+]1,0
+CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)C(=NNC(N)=[NH2+])CC(C)(C)C3)cc1,0
+O=C(NNC(=S)Nc1ccc(Br)cc1Cl)c1ccco1,0
+Cc1ccc(CC(=O)N2CC(C(=O)NC(C(=O)NC(C)(C)C)C(C)C)C3(CC[NH2+]CC3)C2)cc1,0
+NC(COc1cncc(-c2cc3c(Cl)n[nH]c3cn2)c1)Cc1ccccc1,1
+Nc1ccc(S(=O)(=O)Nc2nncs2)cc1,1
+N#Cc1ncc(OCC(N)Cc2c[nH]c3ccccc23)cc1-c1ccc2cnccc2c1,1
+Nc1c(-c2cncc(OCC(N)Cc3c[nH]c4ccccc34)c2)ccc2cnccc12,1
+O=P1(S(=O)(=O)Oc2ccccc2)N[NH+]2CC3C=C(Cl)C(Cl)=CC3CC2CO1,0
+C[NH+]1CCc2c(sc3c2C(O)=NC(c2ccc(OC(=O)c4cccc5ccccc45)cc2)N3)C1,0
+NC(Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3c2CSC3)CC1,1
+Cc1cc([N+](=O)[O-])ccc1N1C(=O)C2C(CC(N)=O)NC3(C(=O)Nc4ccccc43)C2C1=O,0
+CC(C[NH+]1CCCC1)NS(=O)(=O)c1c(N)cc(Br)cc1Br,0
+O=C(CC1CCCCC1)NNC(=O)NCC(=O)Nc1ccc(F)c(F)c1F,0
+Cc1c(Cl)cccc1NC(=S)NCC(c1cccs1)N1CC[NH+](C)CC1,0
+Nc1ccc(-c2cncc(OCC(N)Cc3c[nH]c4ccccc34)c2)cc1,1
+O=C1CCCC(=O)N1c1cccc(Br)n1,0
+COc1c(Cl)cc(C(=O)N2CC(C(=O)NC(C)CCCC(C)(C)O)C3(CC[NH2+]CC3)C2)cc1Cl,0
+Cl.Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(C2(N)CCC2)cc1,1
+CS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2ccccc2)c(F)c1,0
+COc1ccc(NC(=S)NC(NC(=O)c2cccc(C)c2)C(Cl)(Cl)Cl)cc1[N+](=O)[O-],0
+COCC[NH+]=C(N)SCc1cc(O)oc2cc(=[NH+]C(C)=O)ccc1-2,0
+CSCCNC(=O)C1C[NH2+]CC1C(=O)NC(C)CCCC(C)C,0
+c1ccc(-c2nnc(C3CCN(Cc4ccc(-c5nnc6n5-c5cccnc5Nc5ccccc5-6)cc4)CC3)[nH]2)nc1,1
+COc1ccc(Nc2ccc(S(N)(=O)=O)cc2N)cc1F,0
+NC(=O)c1ccc(NCCc2ccccc2)c2cncnc12,1
+O=C(NNC(=S)Nc1cccc(C(F)(F)F)c1)c1ccccc1C1=[NH+]CCCN1,0
+CCOc1ccc(NC(=O)C(C)[NH2+]C(C)c2ccc(NC(=O)CC)cc2)cc1,0
+CC1(C)CC(=O)C2(CC3=C(CC(C)(C)CC3=O)O2)C(=O)C1,0
+CC([NH3+])C(c1ccc(Br)cc1)[NH+](CCCO)C(C)C,0
+CC1CC[NH+](c2ccc(NC(C)C(=O)NC(=O)NC(C)C)cc2)CC1,0
+CCOc1ccccc1Nc1nc(N)nc(CN2CC[NH+](C=Cc3ccccc3)CC2)n1,0
+CC1CCCC(NS(=O)(=O)Cc2cccc(C[NH3+])c2)C1C,0
+S=C(NCc1ccc2c(c1)=C1CCCCC1[NH+]=2)Nc1cccc2ccccc12,0
+CCC([NH3+])C(Sc1nccn1C)c1sccc1C,0
+COc1ccccc1NC(=[NH2+])Nc1nc(CSc2nnc(C)s2)cc(=O)[nH]1,0
+CC(C)c1ccc(C2=NC(C(=O)NCCCO)=CC3=c4ccccc4=[NH+]C23)cc1,0
+CCCCNC(=O)C1CCC(C)[NH+](CC(=O)NC(=O)NC2CC2)C1,0
+CCOc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C)c3)cn2CCN2CCC2)CC1,1
+NC(COc1cnc2ccc(-c3ccncc3)cc2c1)Cc1c[nH]c2ccccc12,1
+CC(=NNc1nc(SCCC(=O)Nc2nc3ccccc3s2)n[nH]1)C12CC3CC(CC(C3)C1)C2,0
+O=C(CSc1nnc(C[NH+]2CCOCC2)n1-c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1,0
+CC1=NN(C(=O)c2ccccc2)C(=O)C1N=Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,1
+CCOC(=O)N1CCC(NC(=O)C2C[NH2+]C(C)CN2)CC1,0
+Cc1csc(CCCCNC(=O)NC(C)C[NH+]2CCCC(C)C2)n1,0
+CCCC[NH+]1CCCCC1CNC(=O)NC1CCCc2[nH]c(=O)ccc21,0
+[NH2+]=C(NN=Cc1c(O)ccc2ccccc12)SC1CC(=O)N(c2cc(Cl)ccc2Cl)C1=O,0
+CCCCCCNC(=O)C1CCC[NH+](C(C)C(=O)NC(=O)NC2CCCC2)C1,0
+CC1CC(=O)Nc2ncnc(N3CCC(c4nc(C5CCOCC5)cn4CCN4CCCC4)CC3)c21,1
+CC(C)c1ccc(NC(=NC(=O)c2ccccc2Cl)NCCC2=c3ccccc3=[NH+]C2)cc1,0
+CCC([NH3+])C(c1cc(Br)cs1)N(C)Cc1cc(Br)cs1,0
+O=C(NCCCCc1ccccc1)C1C[NH2+]CC1C(=O)NC1CCCc2ccccc21,0
+NC(=O)c1cccc(CNC(=O)NCC2CCC[NH+]2CC2CCCCC2)c1,0
+NC(COc1cncc(-c2ccc3cnc(F)cc3c2)c1)Cc1c[nH]c2ccccc12,1
+CCC([NH3+])C(c1ccc(Br)s1)N(CC(F)(F)F)C(C)C,0
+CN(C)c1ccc(C2NC(SCC(=O)N3c4ccccc4CCc4ccccc43)=NC(N)=[NH+]2)cc1,0
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1,1
+C[NH+](CC(=O)NNC(=O)c1cccs1)CC(=O)Nc1cc(F)cc(F)c1,0
+C=CCOc1c(I)cc(C[NH2+]C(CC)CO)cc1OC,0
+O=C(NCC1CC2CC[NH+]1CC2C[NH+]1CC2CC(C1)c1cccc(=O)n1C2)Nc1ccsc1,0
+COc1cc2ncc3c(N)nc(-c4cncc(OCCN)c4)cc3c2cc1OC,1
+Cc1cccc(NC(=O)C[NH+]2CCN(CN3C(=O)NC(C)(c4cccc5ccccc45)C3=O)CC2)c1C,0
+CC(CC#N)[NH+](C)CCC(=O)Nc1c(N)cc(Cl)cc1Cl,0
+Cc1cc(C)c(CC(N)COc2cncc(-c3ccc4[nH]nc(C)c4c3)c2)c(C)c1,1
+CCC1c2ccsc2CC[NH+]1CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C,0
+Cc1cc(C)c(C(N)=S)c(NC(C)c2ccccc2C)[nH+]1,0
+COc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(C)c(C)c2)cc1,0
+Cc1ccc(NC(=NC(=O)c2ccc(-n3c(C)ccc3C)cc2)NCCC2=c3ccccc3=[NH+]C2)cc1,0
+Cc1ccc[nH+]c1NC(c1ccccn1)c1cc(Cl)c2cccnc2c1O,0
+CC([NH3+])C(c1ccc(Cl)s1)N(C)Cc1csc(Br)c1,0
+C=Cc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1,1
+O=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccccc21)N1CCCCC1,0
+Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CC(=O)Nc2ccccc2)cc1,1
+CCC([NH2+]CCC[NH2+]C1CC1)(C(=O)[O-])c1ccc(Br)cc1,0
+NC1(c2ccc(-n3c(-c4ccccc4)nc4ccc(-c5ccccc5)nc43)cc2)CCC1,1
+CC(NC(=O)c1cccs1)C(=O)N1CCC2(CC1)[NH2+]CCC1=NC=NC12,0
+CC([NH3+])C(OCC1CCCO1)c1ccccc1Br,0
+O=C(CSC1=NC2[NH+]=c3ccc(Cl)cc3=C2N=N1)Nc1cccc(O)c1,0
+Cc1ccc([NH+]=c2oc3ccc(Br)cc3cc2C(=O)NCC2CCCO2)c(Cl)c1,0
+N#Cc1c(N)ncnc1N1CCC(c2nc(-c3cnoc3)cn2CCN2CCC2)CC1,1
+CCOc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc(Br)c1OCC(N)=O,0
+CC(c1cc(F)ccc1F)[NH+](C)CC(=O)NCc1ccc(S(N)(=O)=O)cc1,0
+Clc1ccc(COc2cccc(C[NH2+]CCSc3nnnn3-c3ccccc3)c2)c(Cl)c1,0
+CC(COCC(F)(F)F)NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1,0
+COC(=O)C1=CN(c2ccc(N(C)C)cc2)c2cc(F)ccc2S1(=O)=O,0
+Cc1cc(C(=O)N2CC(C(=O)NC(C)CCCC(C)(C)O)C3(CC[NH2+]CC3)C2)ccc1Br,0
+OC12CC3CC(C1)CC([NH2+]Cc1cc(Br)c(OCc4ccccc4)c(Br)c1)(C3)C2,0
+CCCCCCc1cc2cc(C(N)=O)c(=[NH+]c3sc4c(c3C(N)=O)CCCC4)oc2cc1O,0
+CC(C)CC(C)[NH+](C)CC(=O)Nc1c(N)cc(Cl)cc1Cl,0
+CC(C)NC(=O)OC1CCC2(C)C(CC(=O)N3CCCC3CO)C(O)CCC2C1(C)CO,0
+C[NH+]1CCc2c(sc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)c2C(N)=O)C1,0
+CCOC(=O)C1=C(C[NH+](C)CC(=O)Nc2ccccc2Br)NC(=O)NC1CC,0
+Cn1ncc(Cl)c1-c1cc(C(=O)NC2CNCCC2c2ccc(Cl)cc2)n(C)c1Cl,1
+Nc1ccc(C(=O)NCCc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-],0
+[NH3+]C(CO)c1nc(C(=O)Nc2ccc(I)cc2)co1,0
+Nc1nc(CSc2nnc(Cc3ccccc3)n2-c2ccccc2)nc(Nc2ccc(F)cc2)n1,0
+CC[NH+](CC)C(C)CNC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1,0
+COCCn1c(SCC(=O)Nc2cc3ccccc3cc2C(=O)[O-])nc2sc(C)c(C)c2c1=O,0
+Cn1ncc(Cl)c1-c1cc(C(=O)NC2CNCCC2c2cccc(C(F)(F)F)c2)oc1Cl,1
+C=CC1CN(C(N)=O)CCC1CCC(=O)[O-],0
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CNCCc4nnc(N)s4)cc3)nc2n1,1
+S=C1NC2=C(C3=[NH+]CCN3)CCCC2C(c2ccccc2)N1,0
+CCOc1ccc(C(O)(c2cccc(C)c2)C(C[NH+]2CCCCCC2)Oc2ccc(Cl)cc2C)cc1,0
+CCCC[NH+](CC(=O)Nc1c(N)cc(Cl)cc1Cl)C1CC1,0
+CCCC[NH2+]CC(=O)Nc1nc(-c2ccc(Br)cc2)cs1,0
+COc1ccc(C2NCCC3=c4ccccc4=[NH+]C32)cc1CSc1nc2ccccc2s1,0
+CN(C)c1ccc(C=NNc2nnc(SCC(=O)Nc3cccc(Br)c3)n2N)cc1,0
+CC(C)[NH+]1CCC(CNS(=O)(=O)c2ccc(Br)cc2N)C1,0
+CC(CCCCSc1ccccc1Br)([NH2+]C1CC1)C(N)=O,0
+Cc1cc(C)c(C(=O)[O-])c(NC2CCC[NH+](C)C2)[nH+]1,0
+Cc1cc(Br)ccc1-c1ccc(C[NH2+]CC[NH2+]CC(C)O)o1,0
+NC(=O)COc1ccc(C[NH2+]C(c2ccccc2)C2CCCC2)cc1,0
+Cc1ccc(NC(C)(C)C(=O)N2CCCC(Cn3cc(C(C)(C)[NH3+])nn3)C2)cc1,0
+CCCC[NH+](CC(N)=O)CC(=O)NCc1cc(Br)cs1,0
+C=CCNC(=O)NC(=O)C(C)[NH+]1CCC(NC(=O)c2ccc(C)o2)CC1,0
+CCn1c(=O)c2c(C)c(C(=O)NN)sc2n(CC(=O)Nc2ccc(Br)cc2)c1=O,0
+Nc1nccnc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(C2(N)CCC2)cc1,1
+NC(COc1cncc(-c2ccc3[nH]nc(-c4cccs4)c3c2)c1)Cc1c[nH]c2ccccc12,1
+Cc1nnc(SCc2cc(=O)nc(NC(=[NH2+])Nc3cccc(Cl)c3C)[nH]2)s1,0
+CC(C)C[NH+]1CCN(c2nc(SCc3ccc([N+](=O)[O-])cc3)nc3sc4c(c23)CCC4)CC1,0
+O=C(NCC(c1ccco1)[NH+]1CCCC1)Nc1ccc(Br)cc1Br,0
+CCC[NH+]1Cc2cccc(NC(=O)C(=O)NCCCc3n[nH]c(N)c3C#N)c2C1,0
+CC([NH2+]C(C)c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(S(N)(=O)=O)c1,0
+CCn1c(SC(c2cc(Br)cs2)C(C)[NH3+])n[nH]c1=O,0
+CCCCCCCCCCCCCCCCCCOP(=O)([O-])OC1CC[N+](C)(C)CC1,1
+O=C(NCc1nc2ccccc2c(=O)[nH]1)C1CN(C(=O)C2COc3ccccc3O2)CC12CC[NH2+]CC2,0
+C=CCc1cccc(C=[NH+]NC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(C)cc2)c1[O-],0
+O=C(NC(CC1=c2ccccc2=[NH+]C1)C(=O)NN=Cc1ccc(Cl)cc1)c1ccc(Cl)cc1,0
+CCc1c(N)ncnc1N1CCC(c2nc(-c3cccc(C(F)(F)F)c3)cn2CCN2CCCC2)CC1,1
+C[NH+]1CCc2c(sc(NC(=O)C3CCCCN3S(=O)(=O)c3ccc(Cl)s3)c2C(N)=O)C1,0
+O=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1-n1cncn1,0
+CC(C)CNC(=O)C(C)[NH+]1CCC(NC(=O)C2CCCCC2)CC1,0
+CC(=O)NCC1CCC[NH+](CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)C1,0
+CCc1cccc(CC)c1NC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(C)c1C,0
+Cc1ccc(S(=O)(=O)C23C(N=NC2(C)C)C3(C)C)cc1,0
+Cc1cc(CC(N)COc2cncc(-c3ccc4[nH]nc(C)c4c3)c2)ccc1Br,1
+CC1CCc2c(sc3nc(SCC(=O)N(C)CC(=O)Nc4ccccc4Cl)nc(N)c23)C1,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4ccc(F)cc4F)c3)cc12,1
+COc1cccc(-c2nnc(SCC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)n2N)c1,0
+CCCOc1cc(C2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)ccc1OC,0
+COc1ccc(CCC(=O)N2CC(C(=O)NCC[NH+](C(C)C)C(C)C)C3(CC[NH2+]CC3)C2)cc1,0
+CCSc1nc2n(n1)C(c1ccc(OCc3ccccc3)cc1)C(C(=O)Nc1cccc(C)c1C)=C(C)N2,0
+CC[NH+]1CCc2c(sc(NC(=O)CSc3ccc(F)cc3)c2C(N)=O)C1,0
+COc1cnc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+CCOC(=O)Nc1ccc2c(c1)N(C(=O)C[NH2+]C1CCCCC1)c1ccccc1CC2,0
+O=C(NNC(=O)C(CC1=c2ccccc2=[NH+]C1)NC(=O)c1cccs1)Nc1ccc(Cl)c(Cl)c1,0
+C[NH2+]CCCNC(=O)Nc1ccc(I)cc1C(=O)[O-],0
+CC(c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC(=O)c1c(-c2ccccc2)[nH]c2ccccc12,0
+CCN(c1nc[nH+]c(Nc2ccc(F)c(F)c2)c1N)c1cccc2ccccc12,0
+CS(=O)(=O)Nc1cccc(NC(=O)c2cc3ccccc3oc2=O)c1,0
+CCOC(=O)c1c(NC(=O)C[NH+](C)Cc2ccc(OC(F)F)cc2)sc(C(=O)NC)c1C,0
+CCC(C)CN1C(=O)C(CC(C)C)[NH2+]C12CCN(S(=O)(=O)c1cccc(Cl)c1Cl)CC2,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cc(F)c(F)c(F)c1,1
+Cn1cccc1-c1n[nH]c2cnc(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12,1
+Nc1nc(N)c(-c2ccc(Cl)cc2)c(C=CC=Cc2ccc([N+](=O)[O-])cc2)[nH+]1,0
+CCC(N)C(c1ccc(Br)s1)[NH+](CCO)C1CCCCC1,0
+Cc1cccc(C)c1NC(=O)C[NH+]1CCN(C(=O)CSc2nc(C)c(CC(N)=O)s2)CC1,0
+CCOc1ccc(-n2c(SC(CC)C(=O)N(CC)CC)nc3n[nH]c(C)c3c2=[NH2+])cc1,0
+COc1ccccc1N1CC[NH+](CC2C[NH+]3CCC2CC3CNC(=O)NC(C)C)CC1,0
+Oc1c(Br)cc(Br)cc1C=NNC1=NC2[NH+]=c3ccccc3=C2N=[NH+]1,0
+CC[NH+](CCC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)NC(c1ccc(C)cc1)c1cccs1,0
+CC[NH+](CC)C(C)CNC(=O)c1cc(C)cc(Br)c1O,0
+CCC(=O)N1N=C(C2C(=O)[NH+]=c3ccc(C)cc3=C2c2ccccc2)CC1c1ccc(N(C)C)cc1,0
+O=C(Cn1cnc2sccc2c1=O)N1CCCSc2ccccc21,0
+CCCOc1ccccc1Oc1ncccc1CNC(=[NH2+])NC1CCCC1,0
+CC1(C)CC(Nc2ncnc(NCCc3cccs3)c2[N+](=O)[O-])CC(C)(C)[NH2+]1,0
+CC(CN(C)S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(N)=S,0
+CC(NC(=O)C1CCN(C(=O)C([NH3+])C(C)C)CC1)C(=O)Nc1ccc(F)cc1,0
+CC(C)C(NC(=O)C1CC=CO1)C(=O)NNC(=O)C1=c2ccccc2=[NH+]C1,0
+Cc1cccc(NC(=O)C[NH+](C)CC(=O)NC2CCCc3ccccc32)c1C,0
+COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3c(C)nc4ccccn34)C2c2cccc(OC)c2)nc1C,0
+OCCN1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC1,1
+Cc1ccc(NC(=O)CCNC(=O)NCC(C)Cn2cc[nH+]c2C)c(Cl)c1,0
+CSc1nc2nc(-c3ccc(CN4CCC(c5n[nH]c(-c6cccc(C)n6)n5)CC4)cc3)c(-c3ccccc3)cn2n1,1
+CCN(CC)CCn1cc(-c2ccc(F)c(C)c2)nc1C1CCN(c2ncnc(N)c2OC(C)C)CC1,1
+Cc1nc(N)nc2c1cc(-c1cnc3ccccc3c1)c(=O)n2C1CCC(OCC(N)=O)CC1,1
+C[NH+]1CCc2c(sc(NC(=O)C3CCCN(S(=O)(=O)c4cccs4)C3)c2C(N)=O)C1,0
+CC(CN(C)S(=O)(=O)c1cc(Cl)sc1Cl)C(N)=S,0
+NC(CNc1nnc(-c2ccc3[nH]ncc3c2)s1)Cc1ccc(C(F)(F)F)cc1,1
+NC(=[NH2+])c1cccc(CSc2ccccc2Br)c1,0
+CC1CCC(N(Cc2ccco2)C(=S)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1,0
+CCCCCCC(=O)N1CC(C(=O)NCC2(N3CCOCC3)CCCCC2)C2(CC[NH2+]CC2)C1,0
+Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=S)NC3CCCC(C)C3C)cc12,0
+CC1(C)CC2(CC(C)(C)[NH2+]1)OC(=O)N(CC(O)c1ccccc1)C2(C)O,0
+Cc1cccc(C)c1NCC(=O)NN=Cc1cc(N=Nc2cccc(Br)c2)ccc1O,0
+CC(O)C1[NH2+]C2(C(=O)Nc3c(Cl)cccc32)C2C(=O)N(CCc3ccccc3)C(=O)C12,0
+Cc1ccc(NC(=S)N(CCC[NH+](C)C)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1,0
+CC(C(=O)Nc1sccc1C(N)=O)[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1,0
+Cc1ccccc1NC(=O)C1C(c2ccccc2[N+](=O)[O-])C(=C([O-])Nc2ccccc2C)C(=O)CC1(C)O,0
+COc1ccc2nc(N3CCN(C(=O)c4ccc5ccccc5c4)CC3)sc2c1,0
+COc1cc(CNCC[NH+]2CC(C)CC(C)C2)cc(Cl)c1OCC(N)=O,0
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CNCCC(=O)c4ccccc4N)cc3)nc2n1,1
+CN1CCC(N(C)Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+CC1(C)CC(NC(=S)N(Cc2ccco2)Cc2c(Cl)cccc2Cl)CC(C)(C)[NH2+]1,0
+Cc1cc(C=C2SC(=Nc3cccc(Cl)c3)NC2=O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1,0
+CCC[NH+]1Cc2cccc(NC(=O)C(=O)NC(c3ccc(F)cc3)C(C)C)c2C1,0
+C[NH+](CCCOc1cccc(Cl)c1)CCC(=O)Nc1sccc1C(N)=O,0
+COC1C[NH+](C(CNc2ccccc2O)c2ccc(-c3ccccc3)cc2)CCN1,0
+CCOC(=O)Nc1ccc2c(c1)N(C(=O)CC[NH2+]CCO)c1ccccc1CC2,0
+Cc1cc(C)cc(NC(=O)C2C3C=CC4(O3)C2C(=O)N(CCC[NH+](C)C)C4C(=O)NC2CCCC(C)C2C)c1,0
+Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NC(C)C(c3cccs3)[NH+]3CCCC3)c2)cc1,0
+COc1ccc2c(c1)=C(CCNC(=O)CN1C(=O)c3ccccc3NC1O)C[NH+]=2,0
+CC[NH+](CCC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)NC(C)c1ccccc1Cl,0
+O=C(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)Nc1ccccc1,1
+CC(C)NC(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1,1
+NC(=O)c1c(NC(=O)C[NH+]2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)sc2c1CCC2,0
+CCC(C)N(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)Nc1cccc(Cl)c1,0
+CC(C)C(=O)NC1CC[NH+](C(C)C(=O)NC(=O)NCC2CCCO2)CC1,0
+CCN(CC)c1ccc(C(Nc2cccc[nH+]2)c2ccc3ccc(C)nc3c2O)cc1,0
+CC(C)CC1NC(C(=O)NC2CCC2)Cc2cn(C)c3cccc1c23,0
+O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4cc(-c5nn[nH]n5)ccc4nc3-c3ccccc3)cc2)CC1,1
+CS(=O)(=O)N1N=C(C2C(=O)[NH+]=c3ccc(Cl)cc3=C2c2ccccc2)CC1c1ccccc1Cl,0
+Nc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3I)cc12,1
+CNC(=O)Cc1ccccc1NC(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1,0
+C[NH+](CC(=O)Nc1sc2c(c1C(N)=O)CCC2)Cc1c(F)cccc1Cl,0
+Cc1sc2nc(C[NH+](C)C(C)C(C)C)nc(NN)c2c1C,0
+CC[NH+]1CCc2c(sc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2C(N)=O)C1,0
+CCOc1ccccc1C=NNC(=O)C[NH+]1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1,0
+CC[NH+](CC)CCNC(=O)C1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(C)c(C)c1,0
+Cc1ccsc1C(=O)NNC(=O)NCC(c1ccco1)[NH+](C)C,0
+CCOc1ccc(N2C(=O)CC(SC(=[NH2+])NN=Cc3c(O)ccc4ccccc34)C2=O)cc1,0
+CCCC[NH+](CCCC)Cc1ccc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)o1,0
+COc1ccc(-c2nnc(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)[nH]2)cn1,1
+CC1CC(C)C[NH+](CC(C)NC(=O)CNC(=O)NCC2CCCC2)C1,0
+CCc1ccc(C(C)NC(=O)C[NH+](Cc2ccc(C(N)=O)cc2)C2CC2)cc1,0
+CC(C)(C)N1CCN(C(=O)C2CCCCC2[NH3+])CC1,0
+CCCCNC(=O)C[NH+]1CCN(C(C)C(=O)Nc2ccc(C)cc2Br)CC1,0
+Cc1c[nH]c2ncnc(N3CCC(N)(CNC=O)C3)c12,1
+O=C(Nc1sc2c(c1C(Nc1cccc[nH+]1)c1ccccc1F)CCCC2)c1ccco1,0
+Cc1cc(-c2cn(CCNC(C)C)c(C3CCN(c4ncnc(N)c4C#N)CC3)n2)ccc1F,1
+COc1ccccc1CNC(=O)C1C[NH2+]CC1C(=O)NC(C)CCc1ccccc1,0
+O=C(C[NH2+]Cc1ccco1)Nc1cccc(NC(=O)c2ccco2)c1,0
+COCCNCc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+CC([NH2+]Cc1ccccc1Cn1cccn1)C(=O)NC(=O)NC(C)(C)C,0
+O=C([O-])c1cc(NC2CC[NH+]3CCCC23)cc[nH+]1,0
+COC(=O)Cc1cc(=O)[nH]c(NC(=[NH2+])Nc2cc(OC)cc(OC)c2)n1,0
+O=C(C[NH+]1CCCC1c1ccc2c(c1)OCCO2)Nc1ccccc1C(=O)NCc1ccco1,0
+COC(=O)c1cn2cc(-c3ccccc3)c(-c3ccc(CN4CC(c5n[nH]c(-c6cccc(C)n6)n5)C4)cc3)nc2n1,1
+NS(=O)(=O)c1ccc([NH+]=c2oc3cc(O)ccc3cc2C(=O)Nc2cccc(Cl)c2)cc1,0
+O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)NN=Cc1cccc(O)c1,0
+COC(=O)C1=C(C[NH+]2CCOCC2)NC(=O)NC1c1ccc(Cl)cc1,0
+Cc1n[nH]c2ccc(-c3cncc(NCC(N)Cc4ccccc4)c3)cc12,1
+NC1(c2ccc(-c3nc4c5cc(F)ccc5nn4c(NC4CC4)c3-c3ccccc3)cc2)CCC1,1
+COc1ccc(C(=O)N2CCN(C(=O)CSC(N)=[NH2+])CC2)cc1,0
+CCCCNC(=O)C(c1c(O)cc(O)cc1O)N(C(=O)c1ccccc1)c1ccccc1Cl,0
+CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cc(C(=O)NCCO)ccc3-4)cc2)C1,1
+CNS(=O)(=O)c1cccc(C(C)NC(=O)NCC(C)[NH+]2CCC(C)CC2)c1,0
+OCC[NH+](CCO)CC(O)COc1c(Br)cc(Br)cc1Br,0
+CCC(C)C1[NH2+]C2(CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)N(Cc2ccccc2)C1=O,0
+Cc1ccccc1NC(=O)C[NH+](CC(=O)Nc1c(C)cccc1C)CC(=O)Nc1c(C)cccc1C,0
+CC(NC(=O)c1ccc(-c2ccncc2)cc1)c1ccccc1,1
+[NH3+]C(CO)C(=O)N1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1,0
+Oc1ccccc1CN1CC[NH+](Cc2ccccc2O)C1c1c2ccccc2cc2ccccc12,0
+O=C(Cc1nc(N2CCOC(CO)C2)cc(=O)[nH]1)N1CCc2c(Cl)cccc21,1
+[NH3+]CC(c1cc(Br)cs1)N1CCNC(=O)CC1,0
+O=C(NC1NC(=CC(=O)N2CCN(c3cccc[nH+]3)CC2)CS1)c1ccc[nH]c1=O,0
+CCOc1c(Br)cc(C[NH2+]C2(CO)CCCCC2)cc1Br,0
+CC1CCCC([NH+](C)CC(O)c2ccc(C(N)=S)cc2)C1,0
+C[NH+](C)CCC(=O)Nc1ccc(NC(=O)CNC(=O)NCC2CCCC2)cc1,0
+CC(=O)c1ccc(NC(=S)N(Cc2ccc(C)o2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1,0
+CC(C)C(=O)N1CCCc2cc(C(O)C[NH+]3CCC(O)(c4ccccc4F)CC3)ccc21,0
+CCc1cc(C(Nc2cccc(C)[nH+]2)c2cccc(OC)c2)c(NC(=O)c2ccco2)s1,0
+CN(c1ccccc1)c1ccc(C[NH2+]C(C(N)=O)c2ccc(F)cc2)cc1F,0
+CC[NH+](CC)CCN1C(=O)C(=O)C(=C(O)c2ccc(OC(C)C)cc2)C1c1ccc(Cl)c(Cl)c1,0
+C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NNC(=O)c2ccccc2O)c1,0
+Cc1c(C[NH3+])nnn1-c1ccc(N2CCC(C)CC2)[nH+]c1,0
+[NH3+]CC1(NS(=O)(=O)c2ccc3c(c2)CCC3)CCCCC1,0
+CC(C)C[NH+](CCC(N)=NO)Cc1ccc(F)c(Br)c1,0
+O=C([O-])C1=CC(=NNc2cc(S(=O)(=O)[O-])cc([N+](=O)[O-])c2O)C([O-])=CC1=O,0
+COc1cccc(CNC(=O)C2[NH+]=c3cc(C)ccc3=C2Sc2ccc(Cl)cc2)c1OC,0
+Cc1cc(Br)cc2c1NC(=O)C2N1CCCCC1C[NH3+],0
+C[NH+](C)CCNC(=O)c1ccc(COc2ccc3c(c2)C(c2ccc(F)cc2)N(C(=O)C2CCCC2)CC3)o1,0
+NC1(c2ccc(-c3nc4ccccc4cc3-c3ccccc3)cc2)CCC1,1
+CNC(NCc1cccc(S(N)(=O)=O)c1)=[NH+]C,0
+CCC(=O)Nc1ccc(C)c(NC(=O)NCC(C)[NH+]2CCc3ccccc3C2)c1,0
+Cc1nc(C[NH+](C)CCn2cc(C[NH3+])nn2)cs1,0
+CC[NH+]1C(SCc2nc3ccccc3c(=O)[nH]2)NNC1c1ccc(OC)cc1,0
+CCCC1C(c2ccc(OC)cc2)[NH2+]C(c2ccc(OC)cc2)CC1(O)C#Cc1ccccc1,0
+O=C(Cc1nc(N2CCOC3CCCC32)cc(=O)[nH]1)N1CCc2c(F)cccc21,1
+NC(COc1cnc(Cl)c(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,1
+Cn1cc(C(CN)Oc2cncc(C=Cc3ccncc3)c2)c2ccccc21,1
+CCC([NH3+])C(c1ccc(Br)s1)N(CCO)C(CC)CC,0
+CC1c2ccsc2CC[NH+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1,0
+Cn1nnc(-c2ccc3nc(-c4ccc(CN5CCC(n6c(O)nc7ccccc76)CC5)cc4)c(-c4ccccc4)nc3c2)n1,1
+Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)NN(C)c1cccc(F)c1C#N,0
+Nn1c(NN=Cc2cccc(O)c2)nnc1SCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1,0
+Cc1ccc(NC(=O)CSc2nc3n[nH]c(C)c3c(=[NH2+])n2-c2ccc(Br)cc2)cc1,0
+Cc1ccc(SCC(=O)NNC(=O)NCC(c2ccsc2)[NH+](C)C)cc1,0
+CC(C)=CCc1c(O)cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12,1
+CCOc1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CC[NH+](C(C)C)C3)cc1,0
+CCOc1ccc2c(c1)=[NH+]C(SCC(=O)NC1Nc3c(C)cccc3S1)[NH+]=2,0
+Cc1ccc(NC(=O)C[NH+](C)C(C)c2ccc(S(N)(=O)=O)cc2)cc1F,0
+CC(C)C1[NH2+]C2(CCN(C(=S)NC3CC3)CC2)N(CC2CC2)C1=O,0
+CN(Cc1ccccc1)C(=O)CC1CC[NH2+]CC1Cc1cc(-c2ccc(C(C)(C)C)cc2)on1,0
+CC1CCC(CO)([NH2+]CC(O)c2ccc(F)c(F)c2)CC1,0
+COc1ccc(OC)c(C2C(C#N)=C(N)Oc3[nH]nc(-c4cc(OC)c(OC)c(OC)c4)c32)c1,0
+NC(COc1cncc(CCc2ccncc2)c1)Cc1c[nH]c2ccccc12,1
+Cc1ccccc1N1OC2C(=O)N(c3ccccc3)C(=O)C2C1c1ccc(F)cc1,0
+NC(=O)c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2n1,1
+Cc1cc(Br)oc1C(=O)N1CCCN(C(=O)C(C)(C)C)CC1,0
+O=S(=O)(NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1)c1ccc(F)cc1,1
+CCCC[NH+](CCO)C(c1ccc(Br)s1)C(N)CC,0
+NC(COc1cncc(-c2cccc3cnccc23)c1)Cc1c[nH]c2ccccc12,1
+Cc1ccc2ccc(C(Nc3cccc[nH+]3)c3ccc(C(C)(C)C)cc3)c(O)c2n1,0
+CC1CCC[NH+](C(C)(C)CNC(=O)C(C)NC(=O)C2CCCC2)C1,0
+NC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(Cl)c3)cn2CCN2CCC2)CC1,1
+O=C(C1=c2ccccc2=[NH+]C1)C(SC1NN=C(NCc2ccccc2)S1)c1ccccc1,0
+Cc1sc2nc(C[NH+]3CCN(CC(O)COC(C)c4ccc(Cl)cc4)CC3)[nH]c(=O)c2c1C,0
+CC1(C)NC(=O)N(Cc2cc(=O)oc3cc(Br)ccc23)C1=O,0
+CCOCCCNC(=O)C1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1,0
+Cc1nnc(-c2ccccc2Nc2ncnc3[nH]ccc23)[nH]1,1
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1ccc(F)cn1,1
+NC(=O)C1Cc2ccccc2C[NH+]1CC(O)COc1c(Cl)cccc1Cl,0
+CCCCSC1(SCCCC)[NH+]=C(N)C2(C#N)C(c3ccccc3)[NH2+]C(C)=CC12C#N,0
+Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2Br)CC1,1
+NCC(NC(=O)c1cc(-c2cn[nH]c2)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1,1
+COc1ccc(-c2noc(-c3ccc(N)cc3O)n2)cc1,0
+N#CC(=Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2,0
+CC(=O)NC(CC1=c2ccccc2=[NH+]C1)C(=O)NCC(c1ccccc1Cl)[NH+]1CCCC1,0
+NS(=O)(=O)c1ccc([NH+]=c2oc3cc(O)ccc3cc2C(=O)Nc2ccccc2)cc1,0
+Cc1cc(Br)c(NC(=O)C[NH+](C)CCO)c(Br)c1,0
+CN(C)c1cc(CNC(=O)NCC(O)c2ccc3ccccc3c2)cc[nH+]1,0
+CC(=NNC(=O)C1COc2ccccc2O1)c1ccc2c(c1)C1C=CCC1C(c1ccccc1)N2,0
+Cc1ccc(NC(=O)CSc2nc3n[nH]c(C)c3c(=[NH2+])n2-c2ccc(Cl)c(C)c2)cc1,0
+CCCC(=O)Nc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,1
+CC(C)CC[NH+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCCC3)CC(O)COC(C)(C)C,0
+CC(CNC(=O)NCC(=O)Nc1ccc(F)cc1)[NH+]1CCc2ccccc2C1,0
+CC[NH+]1CCc2c(sc(NC(=O)CSc3ccc(Cl)cc3)c2C(N)=O)C1,0
+NS(=O)(=O)c1cc2c(cc1Cl)NC(c1ccccc1C(F)(F)F)NS2(=O)=O,0
+O=c1c(C2[NH2+]CCc3ccccc32)c(O)nc(S)n1-c1cccc(C(F)(F)F)c1,0
+OCC[NH+](CCO)CCN1c2ccc3ccccc3c2Sc2c1ccc1ccccc21,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)CCC2CCCC2)CC12CC[NH2+]CC2,0
+Cc1ccc2[nH+]c(CNC(=O)COc3ccc(CC(N)=O)cc3)cn2c1,0
+CSCCC(NC(N)=O)C(=O)NN=C(c1ccccc1)c1ccccc1,0
+O=S(=O)(N=C1N=c2ccccc2=[NH+]C1Nc1ccc(O)cc1)c1cc(Cl)ccc1Cl,0
+CNC1=C(C(=O)NCC(C2=c3ccccc3=[NH+]C2)c2cccs2)C(C)NS1,0
+Cc1ccc(CNc2nc[nH+]c(NN(c3ccccc3)c3ccccc3)c2N)cc1,0
+CCC(CC)C1NNC(NC(=O)C2CC(=O)N(CCC3=c4cc(Cl)ccc4=[NH+]C3)C2)S1,0
+CC(C)CN(C(=O)C[NH+](C)Cc1ccsc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,0
+Cc1cc(Br)ccc1NC(=O)C[NH+](C)CC(=O)NC1CCCCNC1=O,0
+COc1cc(C[NH2+]Cc2csc(C)n2)cc(Br)c1O,0
+COc1ccc2c(c1)=[NH+]C(C(=O)N1CCC(C(C)C(=O)N3CCC4(CC3)OCCO4)CC1)C=2,0
+CC(C)CN(CC(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=Cc1ccccc1Cl,0
+CC(=O)Nc1ccc(C=CC(=O)NCc2cc[nH+]c(N3CC[NH+](C)CC3)c2)cc1,0
+Nc1ncnc(N2CCC(c3nc(-c4cccc(F)c4)cn3CCN3CCCC3)CC2)c1Cl,1
+Nc1nc(Cl)cc(NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n1,0
+N#Cc1cccc(-c2ccc3c(c2)nn2cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nc32)c1,1
+C[NH+]1CCCC(CNS(=O)(=O)c2c(Br)cc(N)cc2Br)C1,0
+C[NH2+]C(C)c1cc(Br)ccc1OCC(C)C(N)=O,0
+COc1cccc(Cn2cnc3ccc(-c4cn[nH]c4)cc3c2=O)c1,1
+CCOc1c(Br)cc(Cl)cc1NC(=O)CNC(=O)C[NH3+],0
+CC(CNCC(=O)NC(N)=O)[NH+]1CCCCC1,0
+CC1CN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC(C)N1,1
+NC(=O)c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2n1,1
+CN(C)c1ccc(C2=NOC(O)(C(F)(F)F)C2CC[NH3+])cc1,0
+CC(SC1NN=C(C2=c3ccccc3=[NH+]C2)O1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,0
+CC(=O)Nc1cccc(NC(=O)C(C)[NH2+]C(C)c2ccc3c(c2)CCCC3)c1,0
+NC(=[NH2+])SCC(=O)N1N=C(c2cccs2)CC1c1ccco1,0
+CCN(CC)c1ccc(C(Nc2cc(C)cc[nH+]2)c2ccc3cccnc3c2O)cc1,0
+CCCNC(=O)c1nsc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c1N,0
+CC(C)C(N)=[NH+]C(NC(=O)c1ccc(Br)cc1)C(Cl)(Cl)Cl,0
+CC(=Cc1ccccc1)C[NH+]1CCC2(CC1)CC2C(=O)NCC1(c2ccccc2)CCOCC1,0
+O=C(NCCOc1ccccc1Cl)C1CN(C(=O)c2ccc(-c3ccccc3F)o2)CC12CC[NH2+]CC2,0
+Cc1nc2ccccc2n1C1CCN(Cc2ccc(-c3ncc(C#N)cc3-c3ccccc3)cc2)CC1,1
+Cc1ccc(-n2c(-c3cccc(C)c3)nn(C[NH+](C)CC(=O)Nc3ccc(Cl)cc3)c2=S)cc1,0
+CCCCNC(=O)C1CCC(C)[NH+](CC(=O)N2CCC(C(N)=O)CC2)C1,0
+C[NH+](C)C1(CNC(=O)NNC(=O)C(=O)NC2CC2)CCCCC1,0
+C[NH+]=c1c(NC(=O)Nc2cc(Cl)c(OC)cc2OC)c(O)oc2ccccc12,0
+CNS(=O)(=O)c1cccc(C(C)NC(=O)NCC(c2ccco2)[NH+](C)C)c1,0
+COc1ccc(S(=O)(=O)N2CC[NH+](C(C)C(=O)Nc3sccc3C(N)=O)CC2)cc1[N+](=O)[O-],0
+Cc1nc2nc(-c3ccc(CN4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)c(-c3ccccc3)c(C)n2n1,1
+CC1(C)CC(N(Cc2ccccc2F)C(=S)Nc2cc(Cl)ccc2Cl)CC(C)(C)[NH2+]1,0
+CN(C)c1ccc(C(CNC(=O)C(=O)Nc2cc(F)ccc2F)[NH+]2CCc3ccccc3C2)cc1,0
+Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)c2ccc(F)cc2)cc1,0
+CCC(C)CN1C(=O)C(CC(C)C)[NH2+]C12CCN(S(=O)(=O)c1ccc(Cl)c(Cl)c1)CC2,0
+C[NH+](C)CCOc1ccc(CNC(=O)NCC2(O)CCCc3ccccc32)cc1,0
+CCCN(CC1CC1)c1nc2c(s1)C([NH3+])CC(C)(C)C2,0
+Cc1ccc(C(OCC(O)C[NH2+]C(CO)C(O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1,0
+COc1cc(C[NH2+]C(C)c2ccc(Cl)s2)cc(Br)c1O,0
+CC(=O)N(CCC1=c2ccccc2=[NH+]C1C)C(C(=O)Nc1c(C)cccc1C)c1ccc(Cl)cc1,0
+CCCC[NH+](CC(N)=O)CC(=O)Nc1ccc(Oc2ccccc2)cc1,0
+OC(c1ccc(C[NH+](Cc2ccsc2)Cc2ccco2)o1)(c1cccs1)c1cccs1,0
+O=C(NCC(C1=c2ccccc2=[NH+]C1)c1cccs1)Nc1ccc(F)cc1F,0
+Cc1ccc2nc(SC(c3ccc(Br)s3)C(C)[NH3+])[nH]c2c1,0
+NC(=O)c1ccc(NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1,0
+CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4nc(N5CC[NH+](C)CC5)sc4c3)cc2)C1,0
+OCC#Cc1cc(C[NH+](CCO)C2CCCC2)ccc1F,0
+CC(Nc1nc[nH+]c(NN(c2ccccc2)c2ccccc2)c1N)c1ccccc1,0
+O=C1NC2C(NCCN2S(=O)(=O)c2ccccc2)N1c1ccccc1,0
+NC(=O)c1ccccc1NC(=O)C[NH+]1CCN(Cc2ccccc2Cl)CC1,0
+Cn1c(CC(=O)N2CCc3c(F)cccc32)nc(N2CCOCC2)c(F)c1=O,1
+CCc1ccc(C2=NC(C)(CC(C)C)[NH2+]C(c3cc(Br)ccc3O)C2)cc1,0
+CCOC(=O)C1=C(N)n2c(sc(=Cc3ccc(O)cc3)c2=O)=C(C#N)C1c1ccc(O)cc1,0
+COc1cc(OC)c(N2C(=NC(=O)CCCC(=O)[O-])SC3CS(=O)(=O)CC32)cc1Cl,0
+CCC([NH2+]Cc1ccc(OC)cc1O)c1ccc(Br)cc1,0
+Cc1cccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12,1
+CC(C(=O)Nc1sccc1C(N)=O)[NH+](C)CCCOc1ccc(Cl)cc1,0
+O=C(Nc1ccc2c(c1)OCO2)C1CCC(CNC(=O)C2Cc3ccccc3C[NH2+]2)CC1,0
+COc1cccc(NC(=S)N(Cc2ccccc2F)C2CC(C)(C)[NH2+]C(C)(C)C2)c1OC,0
+CC([NH2+]CC(O)Cn1cccn1)c1ccc(Br)cc1,0
+O=C(CNS(=O)(=O)c1ccccc1)NN=Cc1c(OC(=O)c2ccccc2)ccc2ccccc12,0
+NC1CCCN(c2ncnc3[nH]cc(Cl)c23)C1,1
+NC1(c2ccc(-c3nc4c(-c5ccn[nH]5)cccn4c3-c3ccccc3)cc2)CCC1,1
+COc1cc2c(c(OC)c1OC)-c1ccc(NCCO)c(=O)cc1C([NH3+])CC2,0
+Cc1c(C)c(C)c(S(=O)(=O)Oc2ccc(C([NH3+])CC(N)=O)cc2)c(C)c1C,0
+NC(=O)CC1CC[NH+](CCOc2ccc(Cl)cc2Br)CC1,0
+Cc1cc(C(=O)N2CC(C(=O)NC(C)c3c(C)n[nH]c3C)C3(CC[NH2+]CC3)C2)c(C(F)(F)F)o1,0
+CC(=O)Nc1nc2ccc(-c3ccnc(N(C)S(=O)(=O)c4ccc(C)cc4)n3)cc2s1,1
+Cc1ccc(-n2nc(C)c(C3C=CC([NH2+]Cc4ccc(N(C)C)cc4)C3)c2C)cc1Cl,0
+O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CC(O)C[NH+]1CCc2ccccc2C1,0
+NC(=[NH2+])c1cc(Cl)ccc1Oc1ccc(F)cc1Br,0
+CC(NC(=O)CCCCC1SCC2NC(=O)NC21)c1ccc(Cl)s1,0
+CC(Cc1ccc(O)cc1)NC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1,0
+Cn1c(N)c(C(=O)CSC(=Nc2ccccc2Cl)Nc2ccccc2Cl)c(=O)n(C)c1=O,0
+C[NH+](Cc1ccccc1NCC(=O)NC(=O)Nc1ccccc1F)C1CCCCC1,0
+Oc1nc2ccccc2n1C1CCN(Cc2ccc(-c3nc4ccccc4nc3-c3ccccc3)cc2)CC1,1
+CC(C)(CO)[NH2+]CC(O)CCOC1CC2CCC1(C)C2(C)C,0
+Cc1cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c(C)n1,1
+CNCC(NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1,1
+Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC(C)(C)Oc3cc(C)ccc32)c2ccc(Cl)cc2C)cc1,0
+COc1ccc(C2NNSC2C(=O)NCCC2=c3cc(Cl)ccc3=[NH+]C2)cc1,0
+Cc1ccc(NC(=O)C[NH+]2CCCNCC2)c(C)c1,0
+CC(C1CCCO1)n1nnnc1-c1ccc(Br)c(N)c1,0
+Cc1ccc(NC(=O)C(=O)NCC(c2ccc3c(c2)CCCN3C)[NH+](C)C)cc1N1CCCC1=O,0
+N#Cc1c[nH]c2ncnc(N3CC4(CCNCC4)c4ccccc43)c12,1
+Nc1nc(Nc2ccc(C3=[NH+]CCN3)cc2)nc(Nc2ccc(C3=[NH+]CCN3)cc2)n1,0
+COc1cccc(C=[NH+]CCc2ccc(S(N)(=O)=O)cc2)c1O,0
+CC1=NN(C(=O)c2ccc(N)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,1
+CC1(C)CC(NC(=O)CSc2n[nH]c(NN=Cc3ccco3)n2)CC(C)(C)[NH2+]1,0
+[NH3+]C(CC(=O)[O-])C(=O)NC(CC(=O)[O-])C(=O)NC(CC(=O)[O-])C(=O)[O-],0
+CC(C)CN(C(=O)CN(C)C(=O)C12CC3CC(CC(Cl)(C3)C1)C2)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,0
+CCN(CC)CCNC(=O)c1ccc2nc(-c3ccc(CN4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)c(-c3ccccc3)nc2c1,1
+CC(NC(=O)C1C[NH2+]CC1C(=O)NC1CCCc2ccccc21)c1ccccc1,0
+COc1ccc(CNC(N)=[NH+]CC2CCCO2)c(C(F)(F)F)c1,0
+N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CC2CNC2)CC1,1
+Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2-c2ccc(N)nc2)CC1,1
+Cc1nc(N)sc1CC(=O)NCC1CC[NH+](CC(C)(C)C)C1,0
+NS(=O)(=O)c1ccc(Cl)c(NCc2cccc(Br)c2O)c1,0
+O=C1C=CC(=NNc2cccc(C(F)(F)F)c2)C=C1C=NNC(=O)c1cc2ccccc2cc1O,0
+CC(=NNc1nnc(SCC(=O)C2C3CC4CC(C3)CC2C4)n1N)c1ccc2ccccc2c1,0
+N#Cc1c(NC(=O)CC[NH+](CC(N)=O)C2CCCC2)sc2c1CCCC2,0
+O=C(NN=CC1=c2ccccc2=[NH+]C1)C1CC(c2ccc(OCCc3ccccc3)cc2)[NH+]=N1,0
+Nc1c(N(Cc2ccccc2)c2ccccn2)nc[nH+]c1Nc1ccc(Cl)c(C(F)(F)F)c1,0
+CCN(c1cccc(C)c1)c1[nH+]cnc(N(Cc2ccccc2)Cc2ccccc2)c1N,0
+COc1ccc(C2CC(C(F)(F)F)N3NC(C(=O)Nc4cccc(C(C)O)c4)=CC3=[NH+]2)cc1,0
+Cc1cc(C)cc(NC(=S)N(CCC2=c3cc(F)ccc3=[NH+]C2C)Cc2ccco2)c1,0
+N=c1ccc2nc(-c3ccc(C4(NC(=O)Cc5cccnc5)CCC4)cc3)c(-c3ccccc3)cc2n1C(N)=O,1
+CCC(N)C(c1cc(Br)cs1)[NH+]1CCN(CCO)CC1,0
+Cc1cc(C)n(-c2ccc(CNC(N)=[NH+]C3CC3)c(C(F)(F)F)c2)n1,0
+CCCCC([NH3+])c1nc(C(=O)NCC(=O)c2ccc(Br)cc2)co1,0
+Cc1ccc(-c2ccc3nn4cc(-c5ccccc5)c(-c5ccc(C6(N)CCC6)cc5)nc4c3c2)cc1,1
+CCCCC(C)C(=O)N1CC(C(=O)NC(C)C(=O)NC)C2(CC[NH2+]CC2)C1,0
+Cc1ccc(-n2c(CNC(=O)NC34CC5CC(CC(C5)C3)C4)nnc2SCc2cccc(C)c2)cc1,0
+CCc1ncc(OCC(N)Cc2c[nH]c3ccccc23)cc1-c1ccc2cnccc2c1,1
+CC1CCC2C(C)(CO)C(O)CCC2(C)C12CCC(CO)(CCO)O2,0
+CC(Sc1nnc(COc2ccc(C(C)(C)C)cc2)n1N)C(=O)NC(=O)NC1CC1,0
+CCOc1ccc(N2C(=O)C(CC(=O)Nc3ccc(Cl)cc3)N(CC[NH+]3CCC(C)CC3)C2=S)cc1,0
+CC1CN(C(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c2ccccc21,1
+COc1cc(C[NH2+]C2CCC([NH3+])CC2)cc(Br)c1O,0
+CCc1ccccc1NC(=O)C[NH+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1,0
+COc1ccc(-c2nc3c(C)nc(N)nc3n(C3CCC(O)CC3)c2=O)cn1,1
+Cl.Cn1ncc(Br)c1-c1cc(F)c(C(=O)NC2CNCCC2c2ccc(F)c(F)c2)c(Cl)c1,1
+COC(=O)C([NH3+])Cc1cc([N+](=O)[O-])c(Br)cc1O,0
+CC(NC(=O)C([NH3+])CCCC[NH3+])C(=O)[NH+]=c1ccc2c(C(F)(F)F)cc(O)oc-2c1,0
+CCOc1cccc(C2CC(c3ccc(OC)cc3)=NC(c3ccc(OC)c(Br)c3)[NH2+]2)c1O,0
+CC1CCCCC1(NC(=O)NC(C)(C)C)C(=O)[O-],0
+CC(C)(C)c1cc(C2CSCC(C(=O)NCCc3ccc(Cl)cc3)[NH2+]2)cc(C(C)(C)C)c1O,0
+CCCCC(C)C(=O)N1CC(C(=O)NCCNc2ccccc2)C2(CC[NH2+]CC2)C1,0
+NS(=O)(=O)c1ccc(NC(=O)C[NH2+]CCCNc2ccc([N+](=O)[O-])cc2)cc1,0
+CC(NC(=O)c1ccco1)C(=O)N1CCC2(CC1)[NH2+]CCC1=NC=NC12,0
+CCCNC(=O)C1CCN(C(=O)NCC(C2=c3ccccc3=[NH+]C2)C2CC=CS2)CC1,0
+O=C(CNC(=O)NCC(c1ccco1)[NH+]1CCCC1)Nc1ccc(Cl)cc1,0
+O=C1N=C(c2ccccc2)NC1=C(NCc1ccccc1)[NH2+]Cc1ccccc1,0
+CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C)c3)cn2CCN(CC)C(C)C)CC1,1
+NS(=O)(=O)c1ccc(CCNC(=O)C[NH+](Cc2cccs2)CC2CCCO2)cc1,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4cccc(OC(F)(F)F)c4)c3)cc12,1
+NC(=O)C1CCC[NH+]1Cc1ccccc1NC(=O)c1cccc(Cl)c1Cl,0
+CC1(C)OC(C)(Oc2ccc([N+](=O)[O-])cc2)C(C)(O)C(C)(O)C1(C)O,0
+CCN(Cc1cccs1)C(c1ccc(Br)s1)C(C)[NH3+],0
+CCC([NH3+])C(c1ccc(Br)cc1)N(CCCO)C(C)C,0
+COc1cc(NC(=O)c2sc3[nH+]c4cc5c(cc4cc3c2N)OCO5)cc(OC)c1,0
+COC(=O)c1ccc(OC2=CN=[NH+]C2c2ccc(OCC(=O)NN)cc2O)cc1,0
+CC(C)C(=O)N1CCN(C(=O)C2CC2C)CC1,0
+CCC(C)CN1C(=O)C(CC(C)C)[NH2+]C12CCN(C(=S)Nc1cccc(Cl)c1)CC2,0
+Cc1cccc(-n2c3c(cc(C#N)c2=O)C(=O)CC(c2ccco2)C3)c1,0
+OCc1ccccc1C[NH2+]Cc1ccc(OC(F)(F)C(F)C(F)(F)F)cc1,0
+CC(OC(=O)c1ccc(N)cc1Cl)C(=O)[O-],0
+CC[NH+]=c1c(NC(=O)NC2(CC(=O)OCC)CCCCC2)c(O)oc2ccccc12,0
+CNCC(Nc1nc(C(F)(F)F)nc2c(C(N)=O)cccc12)c1cccc(F)c1,1
+Cc1ccsc1C(=O)NNC(=O)NCC(C(C)C)[NH+]1CCC(C)CC1,0
+O=C(NC(NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1ccccc1Cl,0
+COc1ccc(O)c(C(=O)c2ccc(C(=O)NC3CCCNCC3NC(=O)c3ccncc3)cc2)c1F,1
+CC[NH+]1CCCC1CNS(=O)(=O)c1cc(Br)cnc1N,0
+CC(O)C([NH3+])c1nc(C(=O)Nc2ccc(I)cc2)co1,0
+CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccc(C#N)cc3-4)cc2)C1,1
+COC(=O)C1Cc2c([nH]c3ccccc23)C2CC([NH2+]CCO)CC(CC(C)C)N12,0
+c1nc(N2CCc3[nH]cnc3C2)c2cc[nH]c2n1,1
+Cc1ccc2ccc(C(Nc3cccc[nH+]3)c3ccccc3Cl)c(O)c2n1,0
+O=C(NN=C(c1ccccc1)C(O)c1ccccc1)C(=O)NN=C(c1ccccc1)C(O)c1ccccc1,0
+CCOC(=O)c1ccc(N2C(=O)C3C(CC(N)=O)[NH2+]C4(C(=O)Nc5c4ccc(C)c5C)C3C2=O)cc1,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)C2CCOCC2)CC12CC[NH2+]CC2,0
+CCC[NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1Br,0
+COc1ccc(S(N)(=O)=O)cc1C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1,0
+CCn1nc(C(=O)N2CCC[NH+](C)CC2)c2c1CCC([NH2+]CC1(O)CCCCC1)C2,0
+CC([NH2+]CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2)c1ccccc1Cl,0
+Cc1ccc(C=CC(=O)NC(=S)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1,0
+Cc1cc(C)c2nc(-n3nc(C)cc3NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)sc2c1,0
+O=C(Nc1cc(Cl)cc(Br)c1OC(F)F)C1CC(O)C[NH2+]1,0
+CC(C)C(NC(=O)CSC1N=NNN1c1ccccc1Cl)C1[NH+]=c2ccccc2=[NH+]1,0
+CC(NC(=O)C=Cc1ccccc1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1,0
+CC1(C)CC(NC(=S)N(Cc2cccs2)C2CCCC2)CC(C)(C)[NH2+]1,0
+CCC(C)CN1C(=O)C(C(C)CC)[NH2+]C12CCN(C(=S)Nc1cccc(Cl)c1)CC2,0
+[NH3+]C1CCC(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1,0
+Cc1cccc(NC(=O)c2cc3ccc(O)cc3oc2=[NH+]c2ccc(C(N)=O)cc2)n1,0
+CC(C)[NH+]1CCc2c(sc3c2C(O)=NC(c2cc(Cc4ccccc4Cl)ccc2O)N3)C1,0
+CCOc1ccc(C=NNC(=O)C[NH+]2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1,0
+CC(C(=O)Nc1sccc1C(N)=O)N1CC[NH+](CCc2cccs2)CC1,0
+CC(CC1=c2ccccc2=[NH+]C1)NC(=O)C1NC(c2ccccc2)NO1,0
+CN(C)c1ccc(C=C(NC(=O)c2ccccc2Br)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1,0
+Cl.Cn1nccc1-c1ccc(C(=O)NC2CNCCC2c2cccc(F)c2)s1,1
+CC(NC(=O)NCC[NH+](C(C)C)C(C)C)c1cccc(S(N)(=O)=O)c1,0
+CSC1Nc2ccc(NC(=O)C(CC3=c4ccccc4=[NH+]C3)NC(C)=O)cc2S1,0
+CC(Cl)c1cnn(C2CCS(=O)(=O)C2)c1,0
+CN(Cc1cccc(Br)c1)c1ccc(C(N)=[NH2+])cc1Cl,0
+Cc1nn(-c2ncccn2)c2c1C(c1ccc(F)cc1F)SCC(O)=N2,0
+O=C(CNc1ccccc1[NH+]1CCC(O)CC1)Nc1ccccc1OC(F)F,0
+O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccccc1)Nc1ccc(F)cc1F,0
+O=C1NCCc2[nH]c(-c3ccncc3)cc21,1
+COc1ccccc1C(CNC(=S)Nc1c(C)cc(C)cc1Cl)[NH+](C)C,0
+Cc1ccsc1CN(C)C(=O)Nc1cccc(C[NH+]2CCCC2C(N)=O)c1,0
+CC(C)CN1C(=O)C2(CC(=O)NC3=NN=CC32)c2cccc(Cl)c21,0
+CCS(=O)(=O)CC(=O)N1CCC2(CC1)NC(=O)NC2=O,0
+C(=NNc1nc(N2CCCCC2)nc(N2CCCCC2)n1)c1ccccc1OCc1ccccc1,0
+NC(COc1cncc(C=Cc2ccnc(-n3ccc4ccccc43)c2)c1)Cc1c[nH]c2ccccc12,1
+O=C1CC2OC(c3cccs3)C3=C(C(=O)c4ccccc4C3=O)C2O1,1
+COc1ccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CC(C)CC(C)C4)cc3)nc2c1,0
+NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,1
+C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5nc(C)c(=O)[nH]c5-c5ccccc5)cc4)CC3)c2c1,1
+COCCNc1ccc(CNC(=O)NCCCC[NH+]2CC(C)CC(C)C2)cc1,0
+CC1CCCC[NH+]1CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCC(C(C)(C)C)C2,0
+CCC(=O)Nc1ccc(NC(=O)NCC(c2ccsc2)[NH+](C)C)cc1,0
+O=C(Nc1ccc(N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)[nH+]c1)Nc1cccc(C(F)(F)F)c1,0
+O=C(NCCC1=c2ccccc2=[NH+]C1)c1ccc2c(c1)OC(CCc1ccccc1)N2,0
+CCC([NH3+])C(c1ccccc1Br)[NH+](CCO)C(C)C,0
+Cc1ccc(NC2CC[NH+](C(C)C(=O)NC(=O)NC(C)C)CC2)cc1,0
+CCCC1=NN2C(=[NH2+])C(=Cc3cc(C)n(-c4cccc(C)c4C)c3C)C(=O)N=C2S1,0
+CN(C)c1ccc(NS(=O)(=O)c2ccc(C[NH3+])s2)cc1,0
+CCNc1nc(Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc(C)[nH+]1,0
+C[NH+](C)C1(CNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)CCCCC1,0
+NNc1ncccc1S(=O)(=O)Nc1ccc(I)cc1,0
+CC(C(=O)Nc1c(Cl)cc(N)cc1Cl)[NH+]1CCCSCC1,0
+CCC1(c2ccccc2)NC(=O)N(NC(=O)C[NH+](C2CC2)C(C)c2ccccc2Cl)C1=O,0
+Cc1occc1C([O-])=C(C#N)C(=O)C(C)NC(=O)c1cccs1,0
+CN(C)c1ccc(CN(C(=S)Nc2ccc(C(F)(F)F)cc2Cl)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)n1-c1ccccc1)N1CCc2ccccc21,1
+Cc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1,1
+CCc1c(N)ncnc1N1CCC(c2nc(-c3ccnc(C(C)C)c3)cn2CCN2CCC2)CC1,1
+CC(CC[NH+](C)C)NC(=O)NCCC(=O)Nc1ccc(Br)cc1,0
+COc1ccc(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1Cl,0
+COc1ccc(C(CNC(=O)COc2ccc(C(N)=O)cc2)C2=c3ccccc3=[NH+]C2)cc1,0
+Cc1nc(C)c(C(C)[NH2+]Cc2ccc(Br)s2)c(=O)[nH]1,0
+Nc1ncccc1-c1nc2cc(Br)cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,1
+[NH3+]C(c1ccccc1)C(NS(=O)(=O)c1ccc(O)cc1)c1ccccc1,0
+CCC([NH3+])C(c1cc(Br)cs1)N1CCOC2CCCC21,0
+CNc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(c5nnc(-c6ccccn6)[nH]5)CC4)cc3)nc2n1,1
+COC(=O)c1ccc(OC2=CN=[NH+]C2c2ccc(OCC(=O)NN)cc2O)cc1,0
+Cl.NC1(C(=O)NC(C(=O)NO)c2ccccc2)CCN(c2ncnc3[nH]ccc23)CC1,1
+CCCCCCCCCCCCc1ccc(S(=O)(=O)Nc2nncs2)cc1,1
+NC(=O)c1ccc(NC2CNCCC2c2ccc(F)cc2)c2cncnc12,1
+CCC(C)NC(=O)CSc1nc2n[nH]c(C)c2c(=[NH2+])n1-c1cccc(Cl)c1C,0
+Oc1ccc2c3c1OC1c4c(c5ccccc5n4Cc4ccccc4)CC4(O)C(C2)[NH+](CC2CC2)CCC314,0
+CC([NH2+]C(C)c1ccc(S(N)(=O)=O)cc1)C(=O)NCCc1ccc(F)cc1,0
+CC(Sc1nnc(C(C)[NH+](C)C)n1-c1ccc(Cl)cc1)C(=O)Nc1ccc(C(N)=O)cc1,0
+OC(C[NH2+]CC1CCCO1)c1ccc(Br)cc1,0
+CC([NH2+]Cc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccc(F)c(F)c1F,0
+CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+]2CCCC2C(N)=O)c1,0
+CCOC(=O)C1CC[NH+](CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)CC1,0
+N#Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)cc1,0
+O=C(CSc1nnc(-c2cccc(Br)c2)n1-c1ccccc1)NN=Cc1ccc(O)cc1,0
+C[NH+]1CCCCC1CNS(=O)(=O)c1ccc(N)cc1Cl,0
+CS(=O)(=O)c1ccc(-c2ccc3c(c2)nn2cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nc32)cc1,1
+Cc1c[nH]c2ncnc(N3CCC(N)(CNC(=O)c4ccc(F)cc4)C3)c12,1
+CC(C)(C)C1CCc2[nH]nc(C(=O)NNC3=c4cc(Br)ccc4=[NH+]C3=O)c2C1,0
+O=C(C[NH+]1CCN(CCO)CC1)Nc1sc2c(c1C(=O)Nc1ccccc1)CCC2,0
+CCOc1cccc2cc(C(=O)Nc3ccccc3OC)c(=[NH+]c3ccc(S(N)(=O)=O)cc3)oc12,0
+CCN(c1ccccc1)c1nc[nH+]c(Nc2cc(Cl)ccc2C)c1N,0
+CC([NH2+]C1CCN(CC(N)=O)CC1)c1ccc(Br)s1,0
+Clc1ccc(N2C(SCC3[NH+]=c4ccccc4=[NH+]3)NNC2c2cc[nH+]cc2)cc1,0
+CCC(SC1=NC2[NH+]=c3ccccc3=C2N=N1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,0
+CCC(C)[NH2+]C(CC)(C(N)=O)c1ccc(Br)cc1,0
+Nc1cc(S(=O)(=O)NC2CC[NH+](C3CC3)C2)c(Cl)cc1F,0
+CC(NC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(C#N)cc1,0
+Cc1cccc(N2CCN(C(=S)Nc3ccc4nc(N5CC[NH+](C)CC5)cc(C)c4c3)CC2C)c1,0
+COc1ccc(CN(Cc2cc3ccc(C)c(C)c3[nH]c2=O)S(=O)(=O)c2c(C)ccc3nsnc23)cc1,0
+CC1(C)Cc2nc(N3CCOCC3(C)C)sc2C([NH3+])C1,0
+C[NH+](CC(=O)NC(C)(C)C)Cc1nc(N)c2c3c(sc2n1)CCCC3,0
+Cc1c(NC(=O)CC[NH+](C)C(C)c2cccc(S(N)(=O)=O)c2)cccc1[N+](=O)[O-],0
+CC(C)[NH+]1CCN(c2nc(-c3ccc4c(c3)OCO4)c3c(N)n(-c4ccc(Cl)cc4)nc3n2)CC1,0
+CCN(CC)c1ccc(-c2nnc(SCc3nc(N)nc(N)n3)n2-c2ccccc2)cc1,0
+CC(CNc1cc(Cl)ccc1C(N)=S)C[NH+]1CCCC1,0
+NC1(c2ccc(-c3ncc4ncccc4c3-c3ccccc3)cc2)CCC1,1
+CN(C)C(=O)c1cccc(-c2ccc3nc(-c4ccccc4)n(-c4ccc(C5(N)CCC5)cc4)c3n2)c1,1
+[NH3+]CC(c1cccc([N+](=O)[O-])c1)N1CCN(CCO)CC1,0
+CC1CCCC(NC(=O)CSC2NN=C(C3=c4ccccc4=[NH+]C3)N2c2ccc(Cl)cc2)C1C,0
+COc1ccc(C([NH2+]C(C)C(=O)Nc2ccccc2F)c2ccccc2)cc1,0
+Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N)c(F)c1,0
+COc1ccc(CCNC(=[NH2+])NCc2cccc(CN3CCOC(C)C3)c2)cc1,0
+NC(=O)c1cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2cn1,1
+Cn1nc(-c2cccs2)cc1C1C[NH+]2CCC1CC2COC(=O)Nc1cccc(C(F)(F)F)c1,0
+COc1cc(OC)c2c(c1)OCn1c-2nc(-c2ccc(C3(N)CC(O)(C4CC4)C3)cc2)c1-c1ccccc1,1
+NC1(c2ccc(-c3nc4nc(OCCN5CCCC5=O)ccn4c3-c3ccccc3)cc2)CCC1,1
+Cc1cc(C)cc(OCC(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)c1,0
+CC(OC(=O)c1cc2c(s1)CCC(C(C)(C)C)C2)C(=O)Nc1ccc(S(N)(=O)=O)cc1,0
+CC([NH2+]Cc1ccc(S(N)(=O)=O)cc1)c1sccc1Br,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)c2ccc(-c3ccccc3)o2)CC12CC[NH2+]CC2,0
+Cc1cccc(-c2nc(C3CN(Cc4ccc(-c5nc6nc(C)c(Br)n6cc5-c5ccccc5)cc4)C3)n[nH]2)n1,1
+Cc1ccc(C)c(-c2nc(C([NH3+])C(C)(C)C)no2)c1,0
+CC(=O)NC(=Cc1ccccc1)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1,0
+O=C(CCSC1NN=C(C2=c3ccccc3=[NH+]C2)O1)Nc1ccccc1C(=O)c1ccccc1,0
+C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5[nH]c(=O)c(C)nc5-c5ccccc5)cc4)CC3)c2c1,1
+NC(=O)CN1CCC([NH2+]Cc2ccccc2Br)CC1,0
+Cc1cccc(-n2c(C(C)N(CC[NH+](C)C)C(=O)Nc3cccc(C#N)c3)nc3ccccc3c2=O)c1,0
+CC(C)COCC(O)C[NH+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCCC3)CC(C)C,0
+CN(C)P1(NN(c2ccccc2)c2ccccc2)=NC(C(Cl)(Cl)Cl)=[NH+]C(c2ccccc2)=N1,0
+CNC(=O)C[NH+]1CCC(NC(=O)N2CCCC(C(=O)NC3CC3)C2)CC1,0
+Cc1nc(-c2cccc(NC(=O)C[NH+](C)C(C)c3ccc(S(N)(=O)=O)cc3)c2)cs1,0
+COC(=O)c1c(NC(=O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)sc2c1CCC(C)C2,0
+CNC(=O)c1sc2c(c1C)C(=O)NC(=C1N=C[NH+]=N1)N2,0
+Cc1ccn2cc(CNC(=O)NCc3cccc(C(=O)NC(C)C)c3)[nH+]c2c1,0
+CC(c1nnc(SC(C(=O)NC(N)=O)c2ccccc2)n1-c1ccc(F)cc1)[NH+]1CCCCC1,0
+CC(C)[NH+]1CCC(Nc2ccc(S(N)(=O)=O)cc2Br)C1,0
+Nc1cc(Br)c(S(=O)(=O)NC2CC[NH+](C3CC3)C2)c(Br)c1,0
+O=C(NCCC[NH2+]C1CCCCC1)NCc1ccc(OC(F)F)cc1,0
+C[NH+](C)CC1CC[NH+](CCC(N)c2ccccc2Br)CC1,0
+CC(O)C1[NH2+]C2(C(=O)Nc3c(Cl)cccc32)C2C(=O)N(CC3CCCO3)C(=O)C12,0
+Cc1ccc(NC(=O)CNc2ccccc2[NH+]2CCC(O)CC2)c(Br)c1,0
+CCOc1ccc2cc(CNc3ccc([NH+]4CCCC(C)C4)cc3)c(=O)[nH]c2c1,0
+COc1ccc(C[NH+]2CC(CN(Cc3ccc(F)cc3)C(C)=O)C(c3ccc(C)cc3)C2)c(O)c1,0
+CC1C(C(=O)NNC(=O)C2=c3ccccc3=[NH+]C2)=CNN1c1ccc(Cl)cc1,0
+CC(C)CC[NH+](C)CC(=O)Nc1c(Cl)cc(N)cc1Cl,0
+O=C(NN=Cc1ccc(O)c(Br)c1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1,0
+Cc1c[nH]c2ncnc(N3CCN(C(=O)C(N)Cc4ccc(F)cc4)CC3)c12,1
+c1ccc2c(c1)Nc1ncccc1-n1c(-c3ccc(CNC4CCC4)cc3)nnc1-2,1
+COc1ccc(CCN2CC(=O)N3C(Cc4c([nH]c5ccccc45)C3c3ccc(OC)c(OC)c3)C2=O)cc1,0
+CC(C[NH+]1CCCC1)NC1C(=O)Nc2c(Br)cc(F)cc21,0
+Cc1c(C#N)c(N)n(C2CC[NH+]3CCCCC23)c1C,0
+[H]N=c1nc(C[NH+]2CCCC2c2ccc(OC)cc2OC)nc(Nc2ccc(C)cc2)[nH]1,0
+CCOc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C)c3)cn2CCN(C)C)CC1,1
+O=C([O-])C1CN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c2ccccc2O1,0
+COc1cc(C(C)NC(=O)NCCC[NH2+]C2CCCCC2)ccc1OCC(F)(F)F,0
+Cc1cccc(-c2nc3sc(N(C)CC(=O)N4CCN(c5cccc[nH+]5)CC4)nn3c2NC(C)(C)C)c1,0
+COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)C[NH+]1CCN(CCO)CC1,0
+COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1sc2c(c1C(N)=O)CCC2,0
+O=C(NCC(O)c1ccc(F)c(F)c1)Nc1ccc(N2CCCC2)[nH+]c1,0
+Cc1ccc(NC(=O)NC(=O)C[NH+](C)CC(=O)Nc2ccc(Br)cc2C)cc1,0
+NC1(c2ccc(-c3nc4cc(-c5ccccn5)ccn4c3-c3ccccc3)cc2)CCC1,1
+C[NH+](C)CCNC(=O)c1ccc2ncc(NC(=O)Nc3cccc(Cl)c3)c(=O)n2c1,0
+CC1=C(C[NH2+]CC2=CN(c3ccc(F)cc3F)NC2c2ccccc2C)C(C)N=N1,0
+Cc1cc(Br)ccc1NC(=O)C[NH+](C)CC(=O)NCc1ccc(S(N)(=O)=O)cc1,0
+CCCC1=NN(c2ccc(F)cc2)C(=O)C1=CNC1CC(C)(C)[NH2+]C(C)(C)C1,0
+CC(NC(=S)Nc1ccc(Br)c[nH+]1)C1CCCCC1,0
+Cc1ccc([NH+]=c2oc3ccc(Br)cc3cc2C(=O)NCC2CCCO2)cc1Cl,0
+O=C(C[NH+](CC(=O)Nc1cc(F)cc(F)c1)C1CC1)Nc1cc(F)cc(F)c1,0
+NC1(c2ccc(-c3nc4n(c3-c3ccncc3)COc3ccccc3-4)cc2)CCC1,1
+NC(=O)c1c(NC(=O)COC(=O)c2ccccc2NC(=O)Cc2ccccc2)sc2c1CCCC2,0
+CN(C)c1ccc(CNC(=O)NCC2(O)CCCc3ccccc32)c[nH+]1,0
+CN(C)CCC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,1
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)c2ccc3ccccc3c2)CC12CC[NH2+]CC2,0
+NC(=O)c1cccc2c(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cccc12,1
+COc1ccc(C2=NN(C(=O)CSC3[NH+]=c4ccccc4=[NH+]3)C(c3ccc(OC)cc3)C2)cc1,0
+O=C(NC(c1ccccc1)C(C(=O)S(=O)(=O)Oc1ccccc1)c1ccccc1)c1ccccc1O,0
+Cc1cccc(-n2c(C(C)N(CC[NH+](C)C)C(=O)NC34CC5CC(CC(C5)C3)C4)nc3ccccc3c2=O)c1,0
+O=c1c(-c2ccc(Cl)cc2)c(C(F)(F)F)oc2c(CN3CCN(c4cccc[nH+]4)CC3)c(O)ccc12,0
+COc1ccc(C2(C[NH2+]C(C)C(=O)NCC(C)C)CCOCC2)cc1,0
+O=C(NCCNC(=O)C1C=c2ccccc2=[NH+]1)C(=O)NC1CCS(=O)(=O)C1,0
+NS(=O)(=O)c1ccc(NC(=O)C[NH+]2CCc3sccc3C2)cc1,0
+COc1ccc2c(c1)=C1CCNC(C3C(=O)N(c4ccc(C)cc4)C(=O)N(c4ccc(C)cc4)C3O)C1[NH+]=2,0
+Cc1c(C(=O)NNC(=O)CNC(=O)c2ccco2)oc2ccccc12,0
+CC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,1
+COC(=O)C1C(O)CC(Br)C2C[NH+]3CCc4c([nH]c5ccccc45)C3CC21,0
+Cc1ccc(NC(=O)COc2ccc(Cl)cc2C[NH2+]C(C)(C)CO)cc1,0
+COc1cc(C(N)c2[nH+]ccn2CC(C)O)cc(OC)c1OC,0
+CN(C(=O)COC(=O)Cn1nc([O-])c2ccccc2c1=O)C1(c2ccccc2Cl)CCCCC1=O,0
+CNc1cc(-c2ccc(C(=O)NC3CNCCC3c3ccc(Cl)cc3)o2)ncn1,1
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4csc5ccccc45)c3)cc12,1
+CNc1c(-c2ccccc2)c(-c2ccc(C3(N)CCC3)cc2)nc2c3cc(F)ccc3nn12,1
+CC(C(=O)Nc1sc2c(c1C(N)=O)CCC2)[NH+]1CCN(c2cccc[nH+]2)CC1,0
+CC1Cc2c(OC(F)F)cccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)n1C,1
+CCC([NH3+])C(c1ccc(Br)cc1)N(CC)CC(F)(F)F,0
+N#CC(=Cc1ccc(SC2[NH+]=c3ccccc3=[NH+]2)o1)C(=O)Nc1ccc(O)cc1,0
+CN(C)c1ccc(CN(C(=S)Nc2ccc(Cl)cc2C(F)(F)F)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1,0
+CC[NH+](CC(=O)Nc1c(Br)cc(C)cc1Br)CC1COc2ccccc2O1,0
+Cc1n[nH]c2cnc(-c3cncc(OCC(N)Cc4cccc(C(F)(F)F)c4)c3)cc12,1
+COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)C[NH2+]C2CCCCC2C)cc(OC)c1,0
+CN1CCCc2cc(C(CNC(=O)Nc3ccc4c(c3)OCO4)N3CC[NH+](C)CC3)ccc21,0
+Cc1cc(Br)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+Cc1ccc2c(c1)N(C)C(=O)C(C)(C(=O)N1CCc3ccccc3C1)O2,0
+O=C([O-])CCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1,0
+O=C(NCc1ccc(N2CCCC2)[nH+]c1)NCC(O)c1ccc(F)c(F)c1,0
+NC(=O)c1ccccc1NC(=O)c1cccc2c1OCCO2,0
+Nc1ncnc(N2CCC(c3nc(-c4ccc(C(F)(F)F)cc4)cn3CCN3CCCC3)CC2)c1C1CCC1,1
+O=C(Nc1ccc(Cl)cc1C(F)(F)F)C([NH2+]CCC1=c2ccccc2=[NH+]C1)c1ccccc1,0
+NC(=O)C1CCC[NH+]1Cc1ccccc1NC(=O)CCCCCc1cccs1,0
+Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,1
+CCc1ccc(C2CN3C(=O)CN(CCCN4CCOCC4)C(=O)C3(C)C3[NH+]=c4ccccc4=C23)cc1,0
+Cc1ccc(Sc2ccc(C(N)=[NH2+])c(C(F)(F)F)c2)cc1,0
+Nc1c2c(-c3cccc(F)c3F)nc(NCC[NH+]3CCCCC3)nc2nn1-c1ccccc1Cl,0
+Cc1ccc(C[NH+](CC(=O)NC(N)=O)CC(=O)NC(N)=O)cc1,0
+COc1ccc(C(=O)OC(C)C(=O)NC(N)=O)cc1S(=O)(=O)Nc1ccc(C)cc1,0
+CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(F)c3)cn2CCN2CCC2)CC1,1
+NC(=O)c1nn(CC(=O)NCC(c2ccco2)[NH+]2CCCC2)c(=O)c2ccccc12,0
+C[NH+](C)C(CNC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)c1cccs1,0
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C5=[NH+]CCN5)CC4)cc2)CC3)cc1,0
+CC(C(=O)Nc1sccc1C(N)=O)[NH+](C)Cc1ccc(Cl)s1,0
+NC(=O)c1ccsc1NC(=O)COc1ccc(Cl)cc1Br,0
+CCOc1cc(C[NH2+]C(C)c2cc(F)c(Cl)cc2Cl)cc(Br)c1OCC(N)=O,0
+CCCCC(C)C(=O)N1CC(C(=O)NCc2cccc(Cl)c2C)C2(CC[NH2+]CC2)C1,0
+CCN1C(=O)C(=CC=C2Oc3ccc4ccccc4c3N2C)N(c2ccccc2)C1=S,0
+CC(c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC(=O)Nc1cccc(Cl)c1,0
+N#CC1=C(N)N(c2ccc(Br)cc2F)C2=C(C(=O)CCC2)C1c1ccc2c(c1)OCO2,0
+O=C(CNC(=O)c1ccc(Br)o1)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1,0
+NC(COc1cncc(-c2ccc3[nH]nc(-c4ccc[nH]4)c3c2)c1)Cc1c[nH]c2ccccc12,1
+CC[NH+](C)CCNS(=O)(=O)c1c(NN)nc2sccn12,0
+CC1(C)C2CCC1(CS(=O)(=O)NC(c1ccccc1)C([NH3+])c1ccccc1)C(=O)C2,0
+O=C(C[NH2+]CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(Cl)c1,0
+Cc1ccc2oc(=[NH+]c3ccc(S(N)(=O)=O)cc3)c(C(=O)Nc3ccccc3)cc2c1,0
+CCn1c(=O)n(CC)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc21,0
+[C-]#[N+]c1ccc(C(=O)NC2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1,1
+CCc1nc2sc(C(c3ccc(Cl)cc3)[NH+](CCO)CCO)c(O)n2n1,0
+C[NH+]1C(SCC(=O)NN=CC2C=NN=C2c2ccc(F)cc2)NNC1c1cccc(Br)c1,0
+O=C(C[NH+]1CCCCC1C(=O)N1CCOCC1)NC1CCCCNC1=O,0
+C[NH+](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1ccc2ccccc2c1,0
+CCn1c(=O)c(C(=O)C[NH+](CC)Cc2nc3ccccc3c(=O)[nH]2)c(N)n(Cc2ccccc2)c1=O,0
+Cc1ccc(NC(=O)c2cc3cc(C)ccc3oc2=[NH+]c2ccc(S(N)(=O)=O)cc2)cc1,0
+O=C(Nc1nnc(-c2ccc(Br)o2)o1)C1CCN(S(=O)(=O)c2cccs2)CC1,0
+COc1c2c(cc3c1C(c1c(O)n(CCc4ccccc4)c(=S)[nH]c1=O)[NH+](C)CC3)OCO2,0
+CC([NH2+]Cc1cc(Br)cs1)c1ccc(S(N)(=O)=O)cc1,0
+CC(NS(=O)(=O)c1ccc(CC[NH3+])cc1)c1ccsc1,0
+CCCn1c(SC(c2ccc(Br)s2)C([NH3+])CC)n[nH]c1=O,0
+CC1Cc2c(Cl)cccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)n1C,1
+O=C(c1cscn1)c1cc2c(cc1Cl)OCCCO2,0
+C[NH+](CCCNC(=O)NCC1(O)CCCc2ccccc21)CC(F)(F)F,0
+NC(=O)c1c(NC(=O)CC[NH+]2CCCCC2)sc2c1CCCC2,0
+OC(C[NH2+]CC1CCOC1)c1cccc(Br)c1,0
+Cc1nnc(SCc2cc(=O)[nH]c(NC(=[NH2+])Nc3ccc(C)c(Cl)c3)n2)s1,0
+Cc1cccc(-c2nc(C3CCN(Cc4ccc(-c5nc6nc(C)nn6cc5-c5ccc(F)cc5F)cc4)CC3)n[nH]2)n1,1
+CCc1ccccc1Nc1nc(N)nc(CSc2nnc(SCc3ccc(OC)cc3)s2)n1,0
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)c(C)c2)c1,1
+CCOc1cc(C[NH2+]C2CCCN(CC(N)=O)C2)ccc1OCc1ccccc1,0
+CC[NH+](CC)CCNC(=O)c1ccc(NC(=S)NC(=O)CCC2CCCCC2)cc1,0
+COCC[NH+]1CCCN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)CC1,0
+O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCC(F)CC2)cn1,1
+CC(C)C([NH2+]CC(=O)N1CC[NH+](CC(=O)Nc2ccccc2C(F)(F)F)CC1)c1cccs1,0
+Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCSc3nnc(C4CC4)n3N)cc2)c(C)c1,0
+Cc1csc2[nH+]c(CNc3ccccc3[NH+]3CCC(O)CC3)cc(=O)n12,0
+CC(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH+](C)CC(N)=O,0
+CCn1c(-c2nonc2N)nc2cncc(C(=O)NC3CCCNC3)c21,1
+CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,1
+CC(C)(C)c1ccc(C(=O)NC(=[NH2+])Nc2nc3ccccc3o2)cc1,0
+CN(C)c1[nH+]cccc1CNC(=O)NNc1c(F)c(F)c(F)c(F)c1F,0
+Cn1ncc(Cl)c1-c1cc(C(=O)NC2CNCCC2c2ccc(Cl)cc2)sc1Cl,1
+NC(=O)c1cc(-c2ccn[nH]2)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12,1
+Nc1ncnc(N2CCN(C(=O)C(N)Cc3ccc(Cl)cc3)CC2)c1Br,1
+CC(c1nc(N)nc(N(C)C)n1)[NH+]1CCCC(C(=O)NC2CC2)C1,0
+Cl.Cn1ncc(Br)c1-c1ccc(C(=O)NC2CNCCC2c2cccc(F)c2)s1,1
+C=CCNC(=O)NCC1CC2CC[NH+]1CC2c1cc(-c2ccccc2Br)nc(C)n1,0
+Cc1ccc(S(=O)(=O)CNC(=O)C(c2cccc(O)c2)N(C(=O)C2CCC(=O)N2)C(C)(C)C)cc1,0
+CC(C)CCCC1(C)CC(=O)c2cc(O)ccc2O1,1
+COc1ccc(N=Nc2c(N)n(C)[nH]c2=[NH2+])cc1,0
+Nc1nc(SCc2c(F)cccc2Cl)[nH]c(=O)c1NC(=O)c1ccco1,0
+Cc1ccc2[nH+]c(CNC(=O)NCc3cccc(C(=O)NC(C)C)c3)cn2c1,0
+Nc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3ccn12,1
+NS(=O)(=O)c1ccc(CCNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)cc1,0
+COC(=O)c1ccc(C2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2cccc(C)c2)c2ccccc23)cc1,0
+NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3O)n2-c2ccccc2)cc1,0
+CC(C)=CC(=O)N(c1ccccc1Cl)C(C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1cccc(O)c1,0
+CC(Sc1nnc(-c2ccc(OC(F)F)cc2)n1N)C(=O)Nc1ccccc1-c1ccccc1,0
+Cn1cc(C(CN)c2cncc(C=Cc3ccncc3)c2)c2ccccc21,1
+CC(C)C12CN(C(=O)C3CCOC(C)(C)C3)CC(C)(CN(C(=O)C3CCOC(C)(C)C3)C1)C2,0
+Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CC3CNC3)CC2)c1Cl,1
+NS(=O)(=O)c1ccc(CC[NH2+]C2CC(=O)N(Cc3ccccc3)C2=O)cc1,0
+O=C(Nc1ccc(Cl)cc1Cl)N(CCCCCCNc1cccc[nH+]1)Cc1ccccc1F,0
+C[NH+]1CCN(c2nc(N)c([N+](=O)[O-])c(NCC3CCCO3)n2)CC1,0
+CCC([NH3+])C(c1cccc(Br)c1)N1CCN(CCO)CC1,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12,1
+NS(=O)(=O)c1ccc(CC(=O)NCC2CCC[NH+]2CC2CCCCC2)cc1,0
+NC(CNc1ncc(-c2ccc3[nH]c(=O)oc3c2)s1)Cc1ccc(C(F)(F)F)cc1,1
+NS(=O)(=O)c1ccc(NC(=O)CCN2CC[NH+](CC=Cc3ccccc3)CC2)cc1,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4ccc(F)c(Cl)c4)c3)cc12,1
+CC(C)(C)OC(=O)N1CCCCC1CNC(N)=[NH+]CC1CCCO1,0
+COc1ccc(C2CC(=C3C(=O)[NH+]=c4ccc(Cl)cc4=C3c3ccccc3)NN2S(C)(=O)=O)cc1,0
+CCN(CC)C(=O)C[NH+]1CCCN(C(=O)C2CCC(NC(N)=O)CC2)CC1,0
+Nc1nc(C[NH+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)nc(Nc2ccc(F)cc2)n1,0
+CC1CC(C)C[NH+](CC(C)NC(=O)NNC(=O)OC(C)(C)C)C1,0
+CCC[NH+]1Cc2cccc(NC(=O)CN3C(=O)NC4(CCCCC4)C3=O)c2C1,0
+O=C(CNC(=O)N1CCC2=c3cc(Cl)ccc3=[NH+]C2C1)NCc1ccc2c(c1)OCO2,0
+Cc1cc(-c2cn(CCN3CCCC3)c(C3CCN(c4ncnc(N)c4C#N)CC3)n2)ccc1F,1
+Cn1ccc(S(=O)(=O)NCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)n1,1
+CC1CCCCC1Oc1ccc(C(N)=[NH2+])c(C(F)(F)F)c1,0
+COCc1c(C(=O)Nc2cccc(S(=O)(=O)NC3=[NH+]CCC3)c2)sc2cccc(F)c12,0
+CCOC1C[NH+](C(CNc2ccccc2O)c2ccc(CC)cc2)CCN1,0
+NC(=O)NC(Cc1ccccc1)C(=O)NCC(C1=c2ccccc2=[NH+]C1)c1ccccc1Cl,0
+O=C1CC2OC3(CCCC3)C3=C(C(=O)c4ccccc4C3=O)C2O1,1
+COc1c(N)ncnc1N1CCC(c2nc(-c3ccnc(C(F)(F)F)c3)cn2CCN2CCC2)CC1,1
+CC([NH3+])C(c1ccc(Br)s1)N1CCNC(=O)CC1,0
+C[NH+](CC(=O)NC(=O)NC1CCCC1)CC(=O)Nc1ccc(F)c(F)c1F,0
+N#Cc1c[nH]c2ncnc(N3CC4(CCNCC4)c4ccccc43)c12,1
+CCCCC(C)C(=O)N1CC(C(=O)NCc2cc(OC)c(OC)c(OC)c2)C2(CC[NH2+]CC2)C1,0
+NS(=O)(=O)c1ccc(CCC(=O)NCC(c2ccccc2)[NH+]2CCCC2)cc1,0
+NC1(c2ccc(-c3nc4ccc(-c5ncc[nH]5)cn4c3-c3ccccc3)cc2)CCC1,1
+CN(C(=O)C(=O)N1CCc2[nH]c3ccccc3c2C1)c1cccc(C#N)c1,0
+CCOC1C[NH+](C(CNc2ccccc2O)c2ccc(S(=O)(=O)Oc3ccccc3)cc2)CCN1,0
+NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1,1
+C=CCN1C(=O)NC(c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1C[NH+]1CCCCC1C,0
+CN(C)C(=O)COc1ccccc1C[NH2+]Cc1cccc(NC(=O)C[NH+](C)C)c1,0
+CC1CC(C)C[NH+](CC(C)NC(=O)NNC(=O)c2ccoc2)C1,0
+C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1,0
+Cc1ccc(NC(=O)COc2cccc(C[NH2+]CCC3=CCCCC3)c2)cc1,0
+CCC1c2ccsc2CC[NH+]1CC(=O)NCc1ccc(OCC(N)=O)cc1,0
+COc1ccc(OC)c(C2C(C(=O)C34CC5CC(CC(C5)C3)C4)[NH+]3C=Cc4ccccc4C3C2(C#N)C#N)c1,0
+CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCCC3CCCCC31)C2=O,0
+CC1CC(C)C[NH+](CC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)C1,0
+CC(C(=O)Nc1ccccc1Br)[NH+]1CCC(CC(N)=O)CC1,0
+CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CC[NH+](C(C(N)=O)c3ccccc3)CC2)[nH+]c1,0
+CC(C)CNC(=O)NC(=O)C[NH+]1CCCC(C(=O)NC2CC2)C1,0
+CCCC12CCN3CC(CCC)(C[NH+](C1)C3c1cc(Br)ccc1O)C2O,0
+CC[NH+](CC)CCN(C(=O)c1cc2c(ccc3ccccc32)oc1=O)c1nc2ccccc2s1,0
+[NH3+]C1CC(NS(=O)(=O)c2c(F)cc(F)cc2Br)C1,0
+CC(C(=O)Nc1sc2c(c1C(N)=O)CCC2)[NH+]1CCN(c2ncccn2)CC1,0
+CC(C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+]1CC2CC3CC(C2)CC1C3,0
+COc1ccc([N-]S(=O)(=O)c2ccc(CC[NH3+])s2)cc1F,0
+N#Cc1ccccc1Nc1c(N)c[nH+]c2ccc(Br)cc12,0
+CCCCn1c(N)c(N(C(=O)C[NH+]2CCN(CC(F)(F)F)CC2)C2CCCC2)c(=O)[nH]c1=O,0
+Cc1cc2n(n1)CC(C[NH2+]Cc1nncn1-c1ccccc1)CN2,0
+[NH2+]=C1Nc2nc3cc4c(cc3n2C(c2ccc(OCc3cccc(F)c3)cc2)N1)OCCCO4,0
+Nc1ncccc1-c1nc2ccc(-c3cccnc3)nc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,1
+CCCOc1c(Br)cc(C=C(C#N)C2[NH+]=c3ccccc3=[NH+]2)cc1OCC,0
+COc1cccc(C=c2sc(=C(C#N)C#N)n(-c3ccc(Cl)cc3)c2=O)c1,0
+CCC([NH2+]C(CO)CC(C)C)c1cc(Br)ccc1O,0
+NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+CC(CNC(=O)NCc1nc(-c2cccs2)n[nH]1)[NH+]1CCc2ccccc2C1,0
+Cc1ccc(C)c(S(=O)(=O)NCC(=O)Nc2sc3c(c2C(N)=O)CCCCC3)c1,0
+CCOC(=O)Nc1cc(NN(C)C(=[NH2+])c2ccccc2)c([N+](=O)[O-])c(N)n1,0
+CC(C)(C)c1ccc2ncnc(N3CCN(C(=O)C(N)Cc4ccc(Cl)cc4)CC3)c2c1,1
+COc1cc(C2C3=C(CC(c4ccc(Cl)cc4)CC3=O)N=C(C)C2C(=O)OC(C)C)cc(Br)c1O,0
+CC(O)C(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)C1=c2ccccc2=[NH+]C1,0
+O=C(CNC(=O)C1C[NH2+]CC1C(=O)NCCCc1ccccc1)c1ccccc1,0
+CCOc1cc(C[NH2+]CC[NH2+]CC(C)O)cc(Br)c1OCc1ccc(F)cc1,0
+CCOc1cc(C2NC(=[NH2+])Nc3nc4ccccc4n32)ccc1OCC(=O)N1CCCCC1,0
+Cc1cc(NCCC[NH+](C)C)c2c(c1N)C(=O)c1ccccc1C2=O,0
+CC[NH+](CC(=O)Nc1c(Cl)cccc1Cl)CC(=O)NC1OC(C)c2c(C)n[nH]c(=O)c21,0
+CC(=CC(=O)Nc1ccc(Cl)c(Cl)c1)NNC(=O)C(=O)Nc1ccc(C)c(Cl)c1,0
+CC(C)Cc1nc(SCC(N)=O)c2c(=O)n(C)c(=O)n(C)c2n1,0
+CC(C(=O)Nc1nccs1)[NH+]1CCC(C(O)c2ccc(Cl)cc2)CC1,0
+CCOC(=O)c1c(NC(=O)C(C)n2c(=O)c3c(OC)c(C)cnc3n(C)c2=O)sc2c1CCC2,0
+C[NH+]1CCc2nc(SCC(=O)Nc3sc4c(c3C#N)CCC4)c(C#N)c(-c3ccsc3)c2C1,0
+COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)C3c2cccc(Oc3ccccc3)c2)cc1,0
+NC(=O)N(Cc1ccccc1)C1CS(=O)(=O)CC1[NH2+]Cc1ccccc1,0
+Cc1ccc(C(C)NC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)cc1,0
+CC1CCC[NH+](C(C)CNC(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)C1,0
+CC(C)[NH+]1CCc2c(sc(NC(=O)c3nc4ccccc4s3)c2C(N)=O)C1,0
+Cc1c[nH]c2ncnc(N3CCC(N)(CNC(=O)Oc4ccccc4)C3)c12,1
+NC(CNc1cnc(Cl)c(C=Cc2ccncc2)c1)CC1CNc2ccccc21,1
+COc1cc(C)c(S(=O)(=O)N2CCc3cc4c(cc3C2)OCCO4)c(C)c1,0
+COc1ccc2c(c1)=[NH+]CC=2CCNC(=O)C(C(C)C)N1NNc2ccccc2C1=O,0
+O=C(CNC(=O)NCC[NH+]1CCc2sccc2C1)Nc1ccc(F)cc1,0
+O=C(CSc1n[nH]c(NN=Cc2cc(Br)ccc2O)n1)Nc1nccs1,0
+O=c1ccc(-c2nnc(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)[nH]2)c[nH]1,1
+CN(C)C(=O)N1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC1,1
+Cc1[nH+]ccn1CC(C)CNC(=O)c1ccccc1NC(=O)NC(C)C,0
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1ccccc1,1
+CC[NH+]1CCCC1CNS(=O)(=O)c1c(N)cc(Br)cc1Br,0
+CCOC(=O)C1=C(C[NH+]2CCCN(C(=O)c3ccco3)CC2)N(C)C(=O)NC1c1ccc(C(C)(C)C)cc1,0
+S=C(NCc1ccco1)NCC1CC2CC[NH+]1CC2CN1CCc2ccccc2C1,0
+[NH2+]=C1Nc2nc3ccccc3n2C(c2cc([N+](=O)[O-])ccc2OC(F)F)N1,0
+Cc1n[nH]c(=O)c2c(NC(=O)CN3CC[NH+](C(C)C(=O)NC4CC4)CC3)oc(C)c12,0
+CC(Sc1nnc(-c2ccc(OC(F)F)cc2)n1N)C(=O)Nc1nc(-c2ccccc2)cs1,0
+NC1(c2ccc(-c3ncc4nccn4c3-c3ccccc3)cc2)CCC1,1
+Cc1cc(OCC(O)C[NH+](C)CC(=O)Nc2c(Cl)cccc2Cl)c(C(C)C)cc1Cl,0
+NC(=O)C1Cc2ccccc2C[NH+]1CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1,0
+Cc1c(Cl)ccc2c1NC(=O)C21[NH2+]C(CC(N)=O)C2C(=O)N(CCc3ccccc3)C(=O)C21,0
+CCOC(=O)C1=C(CSc2nnc3sc4ccccc4n23)NC(=O)NC1c1ccc(Cl)cc1,0
+Cc1c(F)c(Oc2cccc(C(N)=[NH2+])c2)nc(Oc2cc(C(=O)N(C)C)cc(O)c2O)c1F,0
+NC(=O)c1ccc(NC(=O)CC[NH+]2CCCN(Cc3cccs3)CC2)cc1,0
+O=c1c(Cl)c(Cl)cnn1Cc1nnc(-c2ccccc2Br)o1,0
+CC(C)NC(c1ccc(Cl)cc1)c1ccc(-c2ncnc3[nH]cnc23)cc1,1
+NC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2C2CCNCC2)CC1,1
+O=C(C[NH+]1CCCC1c1ccc2c(c1)OCCCO2)Nc1cccc(I)c1,0
+CC(C)C(C)Nc1cc(-c2nc(SCCO)[nH]c2-c2ccc(F)cc2)cc[nH+]1,0
+Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl,1
+O=C(Nc1ccc(O)cc1)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl,0
+C=CC[NH+](C)CC1C[NH+]2CCC1CC2CNC(=O)Nc1ccc(OC(F)(F)F)cc1,0
+COc1cc(C=Nn2c([O-])nc3c([nH]c4ccc(Br)cc43)c2=O)cc(OC)c1OC,0
+COc1ccc2oc(=[NH+]NC(=O)c3cccc(Br)c3)c(C(N)=O)cc2c1,0
+Cc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(C)CC4CCCO4)cc3)nc12,0
+NC(CNc1nnc(-c2ccc3cnccc3c2)o1)Cc1ccc(C(F)(F)F)cc1,1
+COc1cc(N)c(Cl)cc1C(=O)OCC(=O)C1=c2ccccc2=[NH+]C1c1ccccc1,0
+CCC[NH+]1Cc2cccc(NC(=O)C(=O)NCc3ccc(O)cc3)c2C1,0
+CC1CCCC(C)N1S(=O)(=O)c1ccc(NC(=S)N2CC[NH+](C3CCCCC3)CC2)cc1,0
+COC(=O)c1cc(C)sc1NC(=O)C1C2CCC(C2)C1C(=O)[O-],0
+NC(NCc1cccnc1-n1cncn1)=[NH+]Cc1ccco1,0
+O=C(CN1C(=O)NC(CC2=c3ccccc3=[NH+]C2)C1=O)NC(c1ccccc1)c1ccc(Cl)cc1,0
+Cc1n[nH]c2cnc(-c3cncc(OCC(N)Cc4ccc(F)c(F)c4F)c3)cc12,1
+CC1(C)CC(Nc2nc(=O)c(-c3cccs3)n[nH]2)CC(C)(C)[NH2+]1,0
+NC(=O)C1([NH2+]Cc2cccs2)CCSc2ccccc21,0
+CC(C)C1C(C(=O)NNC(=O)C2=c3ccccc3=[NH+]C2)=CNN1c1cccc(Cl)c1,0
+COc1ccc(C(C)[NH2+]CCCS(N)(=O)=O)cc1Br,0
+Cc1nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nn2c1-c1ccc(F)c(CO)c1,1
+CC1(C)CC(NC(=O)CSc2nc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC(C)(C)[NH2+]1,0
+Cc1cccc(C[N-]S(=O)(=O)c2cc(Br)ccc2N)[nH+]1,0
+Cc1[nH+]cc(-c2ccc(NC(=O)NCC(=O)Nc3ccc(F)cc3)cc2)o1,0
+CC[NH+]1CCN(C(c2cccc(OC)c2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)CC1,0
+CC1c2ccsc2CCN1C(=O)C1CCN(C(=O)N2CCCC2)CC1,0
+NC1(c2ccc(-c3nc4c5cccc(Br)c5nn4cc3-c3ccccc3)cc2)CCC1,1
+Cn1c(CC(=O)Nc2ccc(F)c(Cl)c2)nc(N2CCOC(CF)C2)cc1=O,1
+CC(C)(C)c1ccc(C[NH+](Cc2ccc(C(=O)NCCCN3CCOCC3)o2)C2CCCCC2)cc1,0
+CCn1cc(C(CC(=O)NCCC[NH+]2CCCCC2C)c2cccc(Oc3ccccc3)c2)c2ccccc21,0
+CC(C)(C)c1ccc(C2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)cc1,0
+COc1ccc(CN(C(=S)Nc2cccc(Cl)c2C)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1,0
+Cc1ccc(C(C[NH3+])N(C)Cc2cc(Br)cs2)c(C)c1,0
+CCOc1ccccc1CCNC(=O)C1CN(C(=O)c2ccc3ccccc3c2)CC12CC[NH2+]CC2,0
+O=C(NCCC1=c2cc(Cl)ccc2=[NH+]C1)C(=O)Nc1cccc(O)c1,0
+Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nc3[nH]nc(C)c3c2=[NH2+])cc1,0
+Cc1ccc(NC(=O)NCC(c2ccc3c(c2)CCCN3C)[NH+](C)C)cc1C,0
+NC(NCCc1c(Cl)cccc1Cl)=[NH+]CC1CCCO1,0
+CCOC(=O)c1ccccc1NC(=O)c1cc2n(n1)C(C(F)(F)F)CC(c1ccccc1)N2,0
+Nc1c[nH+]ccc1N1CCN(S(=O)(=O)c2cccs2)CC1,0
+CCCCCNC(=O)C(C)[NH2+]C(C)c1ccc(Br)cc1,0
+CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(OC)c(C(N)=O)c3)cn2CCN2CCC2)CC1,1
+Cc1nc(N)nc2c1cc(-c1cn[nH]c1)c(=O)n2C1CCC(OCC(N)=O)CC1,1
+CC[NH+]1CCN(c2ccc(NC(=O)COc3cc(C)ccc3C(C)C)cc2Cl)CC1,0
+Cc1cc(Cl)ccc1NC(=S)NNC(=O)C(O)(c1ccccc1)c1ccccc1,1
+NC(Cc1ccc(Br)cc1)C(=O)N1CCN(c2ncnc3ccccc23)CC1,1
+Cc1cc2nc(Cc3ccc(N)cc3)n(CCC[NH+](C)C)c2cc1C,0
+CCCC=CC(C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(C(=O)c1cccc(O)c1O)c1ccccc1,0
+CCOc1ccc(C(O)(c2ccc(OC)cc2)C(C[NH+]2CCCCCC2)Oc2ccc(Cl)cc2C)cc1,0
+CCc1ccccc1Nc1nc(N)nc(CSCC(=O)Nc2c(C)cc(C)cc2Cl)n1,0
+COc1ccc(C2C3[NH+]=c4ccc(Cl)cc4=C3CCN2C(=O)NCc2cccc(OC)c2)cc1,0
+CCc1c(N)ncnc1N1CCC(c2nc(-c3ccnc(C)c3)cn2CCN2CCC2)CC1,1
+COC(=O)c1ccc(C2Nn3c(nnc3-c3ccccc3)SC2C(=O)Nc2cccc(C)c2C)cc1,0
+Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc2s1,1
+Cc1ccc(S(=O)(=O)N[NH+]=c2oc3ccc(Br)cc3cc2C(N)=O)cc1,0
+[NH2+]=C1Nc2nc3ccccc3n2C(c2ccccc2OC(F)F)N1,0
+CCOc1ccc(N)cc1C[NH+](C)Cc1cc(Br)cs1,0
+O=C(NCCCn1cc[nH+]c1)c1nn2c(c1Cl)NC(c1ccc(Cl)cc1)CC2C(F)(F)F,0
+COc1ccc(C2C(C(=O)Nc3cc(C)ccc3C)=C(C)NC(C)=C2C(=O)Nc2cc(C)ccc2C)cc1,0
+CCCCCCCCCCCCc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,1
+NC(=O)COc1ccc(NC(=O)NCC(c2cccs2)[NH+]2CCCC2)cc1,0
+O=C(CCCCC1SCC2NC(=O)NC21)NCCc1cn2c([nH+]1)CCCC2,0
+C[NH+](Cc1ccccc1)C1C(C[NH2+]Cc2cccc(Cl)c2)OC(CO)C1O,0
+CC(C)CC(NC(N)=O)C(=O)OCC(=O)C1=c2ccccc2=[NH+]C1c1ccccc1,0
+NCCC(NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1,1
+O=c1ccc(-c2cc(C3CCN(Cc4ccc(-c5nc6ncccc6cc5-c5ccccc5)cc4)CC3)n[nH]2)c[nH]1,1
+COc1ccccc1NC(=O)c1cc2cc(Cl)ccc2oc1=[NH+]c1ccc(S(N)(=O)=O)cc1,0
+CCc1cccc(C)c1NC(=S)N(Cc1ccccn1)C1CC(C)(C)[NH2+]C(C)(C)C1,0
+NC(=O)C([NH3+])CSc1ccc([N+](=O)[O-])cc1,0
+C=CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3Cl)nn2C1c1ccc([N+](=O)[O-])cc1,0
+Oc1ccc(C[NH2+]C2CCOc3ccccc32)cc1Br,0
+CCOc1ccc(Br)cc1C[NH2+]C12CC3CC(CC(O)(C3)C1)C2,0
+O=C(NCCSCc1ccccc1)C1CN(C(=O)C2COc3ccccc3O2)CC12CC[NH2+]CC2,0
+Cc1cc(Br)ccc1NC(=O)CCNC1=[NH+]CCN1,0
+Cc1c(F)c(Oc2cccc(N(C)C)c2)nc(Oc2cc(C(N)=[NH2+])ccc2N)c1F,0
+OC(C[NH2+]CC(O)C1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1,0
+N#CC(C(=S)Nc1ccccc1)=C(N)N1CCN(c2[nH+]cc(C(F)(F)F)cc2Cl)CC1,0
+NS(=O)(=O)NCC1CCCN(C(=O)CCn2cc[nH+]c2)C1,0
+CC(C)(C)C1CCc2sc(C(=O)NCCC[NH+]3CCCC(C(N)=O)C3)cc2C1,0
+CC1=NN(CCCC(=O)NCCC2=c3ccccc3=[NH+]C2)C(=O)C2C1=NN(c1ccccc1)C2n1cccc1,0
+CC(C)C(Sc1nnc(C(C)[NH+](C)C)n1-c1ccc(Cl)cc1)C(=O)NC(N)=O,0
+O=S(=O)(c1cccc(Cl)c1)N1CCC[N+](=C2Nc3ccccc3Oc3ccccc32)CC1,0
+CCc1ccc(C2NC(=O)NC(CN3CCN(c4cccc[nH+]4)CC3)=C2C(=O)OC)cc1,0
+Cc1ccc(C[NH2+]CC(=O)Nc2cccc(S(=O)(=O)N=C3CCCCCN3)c2)cc1,0
+CC([NH3+])C(c1cccc(Br)c1)N(C)C(C)c1cccs1,0
+Cc1ccccc1C(C(C)[NH3+])N1CCNC(=O)C1,0
+O=S(=O)(N=C1N=c2ccccc2=[NH+]C1Nc1ccc(F)c(Cl)c1)c1cc(Cl)ccc1Cl,0
+CCC([NH2+]CC(=O)Nc1cccc(S(=O)(=O)N=C2CCCN2)c1)C12CC3CC(CC(C3)C1)C2,0
+COc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)c(OC)c1OC,0
+[NH2+]=C(NCc1cccc(S(=O)(=O)N2CCCCC2)c1)Nc1ccccc1,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)c2ccc(-c3ccccc3F)o2)CC12CC[NH2+]CC2,0
+CC1(C)C2(O)C(C(O)C(c3ccccc3)(c3ccccc3)c3ccccc3)OC(n3ccc(=O)[nH]c3=O)C12O,0
+NC(Cc1cccc2ccccc12)C(=O)Nc1cncc(C=Cc2ccncc2)c1,1
+NC(=O)c1cn(CC2CC3CC[NH+]2CC3C(=O)Nc2cccc(O)c2)nn1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cccc(F)c1,1
+CC(C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1,0
+CC[NH+]1CCN(CC(=O)NN2C(=O)NC(C)(CC)C2=O)CC1,0
+CC1CCc2[nH]c3c(C(=O)Nc4ccc(C(=O)NCC[NH+](C)C)cc4)cccc3c2C1,0
+Oc1ccc(-c2ccc(-c3cc(Nc4ccc(C[NH2+]CC5CC5)nc4)n[nH]3)cc2)c(O)c1,0
+C[NH+](C)CCCNC(=S)NNC(=O)c1cc2n(n1)C(C(F)(F)F)CC(c1ccc(Cl)cc1)N2,0
+CCC(CC)[NH+](CCO)CCC(N)c1ccc(Br)cc1,0
+CC1CC(C)C[NH+](CC(C)NC(=O)N(C)Cc2cccc(C(N)=O)c2)C1,0
+Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,1
+Nc1ccn(C2CSC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O2)c(=O)n1,0
+O=C(NN=Cc1ccc(O)c(O)c1)c1cncc(Br)c1,0
+O=C(CC1C(=O)NCCN1C(=O)C[NH+]1CCN(c2ccccc2F)CC1)Nc1cc(Cl)cc(Cl)c1,0
+COc1ccc(C(CNC(=O)Nc2c(F)cccc2F)[NH+]2CCCC2)cc1,0
+COc1ccc(CN(Cc2ccccc2)C(=S)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(OC)c1OC,0
+CC1CCCCC1NC(=O)NC(=O)C[NH+]1CCNC(=O)C1,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4cnc5ccccc5c4)c3)cc12,1
+CNC(=O)NC(=O)CCC[NH+](C)CC(=O)Nc1c(C)cccc1C,0
+CC(C)c1ccc2c(c1)C([NH+]1CCN(CCO)CC1)Cc1cc(I)ccc1S2,0
+CCCC[NH+]=C(N)SCC1=C(C(=O)OCC)C(c2ccco2)NC(=O)N1,0
+COC(=O)C[NH2+]C(c1cc(Br)ccc1N)c1ccccc1Cl,0
+C[NH+](Cc1nc(NN)c2ccsc2n1)Cc1cc(Br)cs1,0
+COc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(C)cc1,0
+CCc1ccc(CCNC(=O)C2CN(C(=O)c3ccc(C)c(C)c3)CC23CC[NH2+]CC3)cc1,0
+COc1cc(C[NH2+]C23CC4CC(C)(CC(C)(C4)C2)C3)cc(Cl)c1OCC(N)=O,0
+CCOCC(=O)NNC(=O)NCc1cccc(CN2CC[NH+](C)CC2)c1,0
+CC1CCCC(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])([NH+](C)C)C1,0
+Cn1c(=O)c2c(nc(N3CCCCC3)n2CC[NH3+])n(C)c1=O,0
+CC(C)CN(C(=O)C[NH+](C)CCOc1ccc(Cl)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,0
+COc1ccc2c(c1)=C(CCNC(=S)Nc1ccc(Br)cc1)C(C)[NH+]=2,0
+CC(C)C([NH3+])C(=O)Nc1cc(Cl)cc(Br)c1OC(F)F,0
+CCC[NH+](CC(=O)Nc1ccccc1C)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC,0
+Cc1ccc(S(=O)(=O)N2CC[NH+](CC(=O)NN=Cc3ccc(O)c(O)c3)CC2)cc1,0
+CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1,0
+O=C(C[NH+]1CCN(S(=O)(=O)c2cccs2)CC1)Nc1cc(Cl)ccc1Oc1ccccc1,0
+CN(C)CCN1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC1,1
+Nc1nnc(SCc2nc(N)c3c4c(sc3n2)CCCC4)s1,0
+NC(=[NH2+])NS(=O)(=O)c1ccc(NC(=S)NC(=O)C=Cc2cccs2)cc1,0
+CCC(C)C1[NH2+]C2(CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)N(Cc2ccccc2)C1=O,0
+Cn1cccc1C=NN1C(S)NNC1C1C=C(c2ccccc2)N=N1,0
+O=C(NCCN1CC[NH2+]CC1)C(=Cc1ccccc1)NC(=O)c1ccco1,0
+COc1cc(C=NN2C(=S)[NH+]=NC2c2ccc(Cl)cc2Cl)cc(Br)c1O,0
+Cc1ccc(Cn2c(N3CC[NH+](CC(C)C)CC3)nc3sc4c(c3c2=O)CCCC4)c(C)c1,0
+CCc1cccc(NC(=O)Nc2ccc(C3NC(=S)N(C)C(C)=C3C(=O)OCC(C)C)cc2)c1,0
+CC([NH+](C)CC(=O)Nc1c(N)cc(Cl)cc1Cl)C(C)(C)C,0
+CC(O)CNc1[nH+]c2ccccc2n1CC(=O)NC(C)c1ccc2ccccc2c1,0
+CC1(C)CC(NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2N)CC(C)(C)[NH2+]1,0
+O=S(=O)(NCCC[NH2+]C1CC1)c1ccc(Br)cc1Cl,0
+CC1(C(=O)N2CC(C(=O)NCCNc3ccccc3)C3(CC[NH2+]CC3)C2)CCCCC1,0
+CC(NC(=O)c1ccccc1NC(=O)CN1C(=O)NC(C)(c2ccco2)C1=O)c1ccccc1,0
+CN1C(=O)C(C(=O)NC2C(=O)[NH+]=c3ccccc3=C2O)C(O)c2ccccc21,0
+CC1Cc2cc(F)c(F)cc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+Cn1nnnc1-c1cnc(-c2ccc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2)c(-c2ccccc2)c1,1
+CCC(C)NC(=O)c1cccc(NC(=O)C[NH2+]CCC2=CCCCC2)c1,0
+C[NH+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(N)=O,0
+CC(=O)N1CCOc2cc(S(=O)(=O)N3CCCCCC3c3ccc(C)s3)ccc21,0
+CCC[NH2+]C(c1cn[nH]c1)c1cc(Cl)cc(Br)c1OC,0
+CCOc1ccc(C(=O)N2CC(C(=O)NC(C)CCCC(C)(C)O)C3(CC[NH2+]CC3)C2)cc1,0
+Nc1ncnc2nc(-c3ccc(CN4CCC(c5nc6ccc(F)cc6[nH]5)CC4)cc3)c(-c3ccccc3)cc12,1
+CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc2s1,1
+[NH-]C1=NC2=NC=NC2C(N2CCC(n3cc(C4CC4)nn3)CC2)=[NH+]1,0
+Cc1n[nH]c2ccc(-c3cncc(OCCC(N)Cc4ccccc4)c3)cc12,1
+Cc1ccc(C(C)NC(=O)NC(C)c2ccc(N3CC[NH+](C)CC3)cc2)s1,0
+O=C(CN1c2ccccc2S(=O)(=O)c2ccccc21)Nc1ccc(C2[NH+]=c3ccccc3=[NH+]2)cc1,0
+Cc1ccc(S(=O)(=O)N2CC[NH+](CC(=O)NN=Cc3ccc(O)cc3O)CC2)cc1,0
+Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)C(NC(=O)c3cccc(C)c3)C(C)C)cc2)cc1,0
+O=C1NCCc2[nH]c(-c3ccnc(C=Cc4ccccc4)c3)cc21,1
+CNC(=O)c1nn(CC2CCCCC2)c2c1CC([NH2+]C1C3CC4CC1CC(O)(C4)C3)CC2,0
+NS(=O)(=O)c1ccc(OCC[NH+](Cc2ccccc2F)C2CC2)cc1,0
+Nc1cc(Br)c(S(=O)(=O)NCC[NH+]2CCCCC2)c(Br)c1,0
+CCOc1cc(CNc2ccc(S(N)(=O)=O)cc2)cc(Br)c1OCc1ccccc1,0
+Cc1[nH+]nc(N(C)Cc2cc(Br)cs2)c(C(N)=NO)c1C,0
+CC(Oc1ccc(F)cc1)C(=O)NNC(=O)NCC(c1ccsc1)[NH+](C)C,0
+Cc1ccccc1NC(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+CCc1ccccc1NC(=O)c1cc2c(CO)cnc(C)c2oc1=[NH+]c1cccc(C)c1,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)CC4CCCCC4)c3)cc12,1
+O=C(CCC1CCCC[NH2+]1)Nc1c(Cl)cc(Br)cc1Cl,0
+N#Cc1cnc(-c2ccc(CN3CCC(c4nc5cc(F)ccc5[nH]4)CC3)cc2)c(-c2ccccc2)c1,1
+Cc1ccc(NC(C)C2CC[NH+](C)CC2)cc1S(N)(=O)=O,0
+CCC([NH3+])C(c1ccc(C)o1)n1nc(C)c(Br)c1C,0
+CCCNC(=O)CCNC(=O)NCc1cn2cc(C)ccc2[nH+]1,0
+Cn1c(=O)c2c(nc(CO)n2CC(O)C[NH2+]C2CCCCC2)n(C)c1=O,0
+C[NH+](C)CC(C)(C)C[NH2+]CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl,0
+COC(=O)C1=C(C)NC(=O)NC1c1ccc(OCC(=O)NN=CC2=c3ccccc3=[NH+]C2)c(OC)c1,0
+CC(=O)N1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC1,1
+CC1CCCC[NH+]1CCNC(=O)NNC(=O)CCC1CCCCC1,0
+CC([NH2+]C(c1ccc(F)cc1)c1cccs1)C(=O)Nc1ccccc1,0
+CCOc1cc(C2C(C(=O)OC)=C(C)NC3=C2C(=O)CC(c2ccccc2)C3)cc(Br)c1O,0
+[NH3+]CC1CCCN(S(=O)(=O)c2cccs2)C1,0
+NC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(F)c3)cn2CCN2CCC2)CC1,1
+CC1CC(C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccccc2CC(N)=O)C1,0
+Nc1ncnc2nc(-c3ccc(CN4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)c(-c3ccccc3)cc12,1
+NC1(c2ccc(-c3nc4c(F)cccn4c3-c3ccccc3)cc2)CCC1,1
+C[NH+](CC(=O)NNC(=S)Nc1ccccc1C(F)(F)F)Cc1ccccc1,0
+N#Cc1c2c(n(-c3ccccc3)c1NC(=O)C[NH+]1Cc3ccccc3CC1C(N)=O)CCCC2,0
+CCC(C)C(NC(N)=O)C(=O)NCc1ccccc1C[NH+]1CC(C)CC(C)C1,0
+COc1c2c(cc3c1C(c1c(O)nc(O)n(C(C)CCc4ccccc4)c1=O)[NH+](C)CC3)OCO2,0
+Cc1cc(C)nc(NC(c2ccc(OC(F)F)cc2)c2c(NC(=O)c3ccco3)sc(C)c2C)n1,0
+CC1Cc2ccc(F)cc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+CC(C)Oc1cccc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1,1
+C=Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN2CCC2)CC1,1
+CCC([NH3+])C(c1ccc(Br)cc1)N(CC)CCC#N,0
+CC1(C)CC(NC(=S)Nc2ccc(SC(F)F)cc2)CC(C)(C)[NH2+]1,0
+CC(=O)NCC1CCC[NH+](C(C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1,0
+NC(=[NH2+])N1CCc2ccc(OCCC3(C(=O)[O-])CCN(c4cc[nH+]cc4)CC3)cc2C1,0
+Nc1ccc(C(O)CC[NH+]2CCN(Cc3ccccc3)CC2)cc1,0
+CCC1CCC([NH3+])(c2noc(-c3ccc(I)cc3)n2)CC1,0
+CC(=O)N1CCC([NH2+]C2CC(C)(C)C3CC(C)(O)CCC23CCC(=O)NCc2ccco2)CC1,0
+Cc1cccc(-c2nc(C3CCN(Cc4ccc(-c5nc6ncc(Br)n6cc5-c5ccc(F)cc5)cc4)CC3)n[nH]2)n1,1
+Cc1c(C(=O)NNC(C)(C)C)oc2c1C(=NNC(N)=[NH2+])CCC2,0
+NC(COc1cnc2ccc(-c3ccncc3)cc2c1)Cc1c[nH]c2ccccc12,1
+CCn1c(=O)[nH]c2cc(C(=O)NNC(=O)c3sccc3C)ccc2c1=O,0
+CC(C)c1ccc(C2c3[nH]c4ccccc4c3CC3C(=O)N(C4CC(C)(C)[NH2+]C(C)(C)C4)CC(=O)N32)cc1,0
+Cc1ccc2c(c1)SC(NC(=O)C(CC1=c3ccccc3=[NH+]C1)NC(=O)OC(C)(C)C)N2,0
+Cc1ccc(OCC(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCCC3)c(Br)c1,0
+O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccco1,1
+CNC(=O)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1I,0
+COC(=O)Nc1ccc(NC(=O)NCC(C)(C)[NH+]2CC(C)CC(C)C2)cc1,0
+O=C(O)c1ccc2nc(-c3ccccc3)c(-c3ccc(CN4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)nc2c1,1
+CC(CC(C)(C)c1ccccc1)NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O,0
+O=C(C1CC(O)C[NH2+]1)N1CCCC1C1CCCCC1,0
+Cn1c(CC(=O)N2CCc3c(Cl)cccc32)nc(N2CCOCC2)cc1=S,1
+Cc1nc2nc(-c3ccc(CN4CCC(c5nc6ccncc6[nH]5)CC4)cc3)c(-c3ccccc3)cn2n1,1
+S=C(NN=C1N=NC2=c3ccccc3=[NH+]C2N1)Nc1ccccc1,0
+CCOc1cccc(C2CC(c3ccc(C)cc3)=NC(c3ccccc3OC)[NH2+]2)c1O,0
+CCOc1ccc(Oc2ccc(NC(=O)C[NH+]3CCCCC3C(N)=O)cc2)cc1,0
+CCC(C)CN1C(=O)C(CC(C)C)[NH2+]C12CCN(C(=S)Nc1cccc(C)c1)CC2,0
+CC(C)[NH+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc54)cc3)c2C(N)=O)C1,0
+OC(c1ccc(F)cc1)C(CCC(C[NH+]1CCCCCC1)C(O)c1ccc(F)cc1)C[NH+]1CCCCCC1,0
+COc1ccc(NC(=O)NC2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1Cl,1
+CC([NH2+]Cc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1cccc(Cl)c1,0
+O=C1C2C3C=CC(O3)C2C(=O)N1c1cccc(Cl)c1Cl,0
+COc1cncc(-c2cnc3cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nn23)c1,1
+CCC[NH+](CC(=O)Nc1cccc(C(=O)N(C)C)c1)C(C)c1ccc(Cl)c(Cl)c1,0
+C=C(Br)COc1c(Br)cc(C[NH3+])cc1OCC,0
+CC(C)C(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCc1ccc(S(N)(=O)=O)cc1,0
+NC(=O)NC(CC(=O)OCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Cl)cc1,0
+C[NH+](C)C(CNC(=O)NNC(=O)c1ccc2ccccc2n1)c1ccco1,0
+CCC1SCc2ncnc(N3CCN(C(=O)C(N)Cc4ccc(Cl)cc4)CC3)c21,1
+CCOC(=O)C1=C(CN2CC[NH+](C3CCCCC3)CC2)NC(=O)NC1c1ccc(CC)cc1,0
+Cc1ccc(C)c([NH+]=c2oc3cc(O)ccc3cc2C(N)=O)c1,0
+Cc1ccc(S(=O)(=O)N[NH+]=c2oc3cc(O)ccc3cc2C(=O)Nc2ccc(Cl)cc2)cc1,0
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(C(=O)Nc5ccncc5)CC4)cc3)nc2n1,1
+O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc(N=C2NC3CS(=O)(=O)CC3S2)cc1,0
+CC1CCC([NH+](C)CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1,0
+CNC(=S)Nn1cnc2c(cnn2-c2ccccc2)c1=[NH2+],0
+CC1(O)CCC2(CCC(=O)N3CCOCC3)C([NH2+]Cc3ccc(CO)o3)CC(C)(C)C2C1,0
+CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CC2CNC2)CC1,1
+CC(C)CCCC1(C)CCc2cc(O)cc(Br)c2O1,1
+CC(C)C([NH3+])C(=O)NC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)C,0
+C=CCN1C(=O)C(C(=O)NC2C(=O)[NH+]=c3ccccc3=C2O)C(O)c2ccccc21,0
+Cc1n[nH]c2ccc(-c3cc(OCC(N)Cc4ccccc4)cnc3-c3ccsc3)cc12,1
+CC[NH+](CC)CC(C)NS(=O)(=O)c1c(N)cc(Br)cc1Br,0
+O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCN3C(=O)OCC3C2)cn1,1
+NC1(c2ccc(-c3nc4cc(C5CC5)ccn4c3-c3ccccc3)cc2)CCC1,1
+Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1CC[NH+](CC=Cc2ccccc2)CC1,0
+CC[NH2+]C(c1cc2[nH]c(=O)[nH]c2cc1Br)C1CCCOC1,0
+CCCCC[NH+](C)C(C)C(=O)Nc1c(Cl)cc(N)cc1Cl,0
+COc1ccccc1NC(=O)NCC(c1ccc(N(C)C)cc1)[NH+]1CCc2ccccc2C1,0
+OC1CN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CCN1,1
+Cc1ccc(C(C)NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)s1,0
+Cn1ncc(Cl)c1-c1ccc(C(=O)NC2CNCCC2c2cccc(F)c2)cc1,1
+CCN(CCC(N)=[NH2+])Cc1ccc(F)cc1Br,0
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CNCCc4c[nH]cn4)cc3)nc2n1,1
+CC12CCCCC1CCC1C2CCC2(C)C1CCC2(O)C[NH2+]CCO,0
+CCN(CC)C(=O)CSc1nc(N2CC[NH+](CC(=O)N(CC)CC)CC2)c2c3c(sc2n1)CCC3,0
+COCCNC(=S)NC1CC2C(=O)NCC(CCC(=O)N3CCCC3)[NH+]2C1,0
+CC([NH2+]C(C(N)=O)c1ccc(F)cc1)c1ccc(OCC(F)(F)F)cc1,0
+COc1cc(C=NNc2c(Cl)c(Cl)nc(C(=O)[O-])c2Cl)cc(OC)c1OC(F)F,0
+COc1ccc(C[NH+](C)C(C)CC(N)=NO)cc1Br,0
+COc1ccc(-c2cc3c(C)nc(N)nc3n(C3CCC(OCC(=O)O)CC3)c2=O)cn1,1
+CC(C)c1ccc(-c2cn3cc(NC(=O)CCC[NH3+])ccc3n2)cc1,0
+COc1ccc(C(=O)C2C(c3ccc(OC)cc3)C(C(=O)NCCc3ccccc3)[NH+]3C=CC=CC23)cc1,0
+Cc1ccccc1CC(=O)N(C)C(C(=O)NC(C)(C)CC(C)(C)C)c1c(O)cc(O)cc1O,0
+CSc1ccccc1NC(=O)CC[NH+](C)CC(=O)NC(C)(C)C,0
+CC(c1nnc(SCC(=O)C(C#N)=C2Nc3ccccc3S2)n1-c1ccc(Cl)cc1)[NH+](C)C,0
+O=C(Nc1cccc(S(=O)(=O)N=C2CCCN2)c1)Nc1cccc(S(=O)(=O)N=C2CCCN2)c1,0
+CC(C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCC(C(N)=O)CC1,0
+COc1ccccc1C(CNC(=S)Nc1ccccc1F)[NH+]1CCCC1,0
+COc1cccc(C(=O)N2CC(C(=O)NC(C(=O)NC(C)(C)C)C(C)C)C3(CC[NH2+]CC3)C2)c1,0
+CC(C)C(NC(=O)C1CN(C(=O)c2cccc(Br)c2)CC12CC[NH2+]CC2)C(=O)NC(C)(C)C,0
+CCCCNC(=O)c1ccc(CNC(=O)NCc2ccccc2C[NH+](C)C)cc1,0
+CCC(C)c1ccc(NC(=O)CSc2nnc(NN=C(C)c3ccc(F)cc3)n2N)cc1,0
+CCC(C)C([NH3+])c1nc(C(=O)NC(CC(C)C)C(=O)Nc2ccc([N+](=O)[O-])cc2)co1,0
+c1ccc(-c2cn3nc(C4CC4)nc3nc2-c2ccc(CN3CC(c4n[nH]c(-c5ccccn5)n4)C3)cc2)cc1,1
+CCN(c1[nH+]cnc(NCCc2ccc(OC)c(OC)c2)c1N)c1cccc2ccccc12,0
+C=CCN1C(=O)NC(=O)C(=C(C)NCCN2CC[NH2+]CC2)C1=O,0
+Cc1[nH+]c(N)ccc1CNC(=O)Cn1c(C)cnc(NCCc2ccccc2)c1=O,0
+N#CC1=C(N)OC2=c3ccccc3=[NH+]C(=O)C2C1c1ccc(Br)cc1,0
+Nc1ncccc1-c1nc2cc(-c3cccnc3)cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,1
+COc1cccc(C2N=C(O)c3c(sc4c3CC[NH+](C(C)C)C4)N2)c1O,0
+COCCn1c(S)nc(O)c(C2[NH2+]CCc3c2[nH]c2ccccc32)c1=O,0
+CCOc1ccc(C(=O)N=C(NCCC2=c3ccccc3=[NH+]C2)Nc2ccc(C)cc2)cc1OCC,0
+NC(=[NH2+])c1ccc(COc2cc(Cl)c(Cl)cc2Cl)c(F)c1,0
+NC(=O)c1ccccc1NC(=O)C[NH+]1CCN(Cc2ccccc2)CC1,0
+Cn1cccc1C(CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)[NH+]1CCc2ccccc2C1,0
+CCOC(=O)c1c(NC(=O)CSc2nnc(N)s2)sc2c1CC(C)(C)[NH2+]C2(C)C,0
+OC1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC1,1
+Cc1ccc2nc(-c3ccc(NC(=O)C[NH+](C)C(C)c4ccc(S(C)(=O)=O)cc4)cc3)sc2c1,0
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CNCCCN4CCN(C)CC4)cc3)nc2n1,1
+CCC([NH2+]C(CC)c1cc(Br)ccc1O)c1cccs1,0
+Cc1cc(S(N)(=O)=O)cc(NC(=O)C[NH+]2CC=C(c3ccc(O)cc3)CC2)c1C,0
+CN(Cc1csc(Br)c1)C(C[NH3+])c1ccc(Br)s1,0
+Cc1cc(OCC(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)c(C(C)C)cc1Cl,0
+Cn1nccc1-c1ccc(C(=O)NC2CNCCC2c2ccc(F)c(F)c2)cc1,1
+CC([NH2+]Cc1ccc(Br)s1)c1cc(O)ccc1O,0
+CCNC1CCN(c2ncnc3[nH]cc(C)c23)C1,1
+CC[NH+](CC(=O)NC(=O)Nc1ccc(C)cc1C)CC(=O)Nc1cc(Cl)ccc1C,0
+Cc1ccc(F)c(C(=O)N2CC(C(=O)NC(C)CCCC(C)(C)O)C3(CC[NH2+]CC3)C2)c1F,0
+COc1ccc(O)c(C[NH2+]C(C)c2cccc(Br)c2)c1,0
+CCN(CC)C(=O)Nc1ccc(C(C)[NH2+]C(C)C(=O)Nc2ccccc2C)cc1,0
+Cc1n[nH]c2cnc(-c3cncc(OCC(N)Cc4cccc(F)c4)c3)cc12,1
+CCOc1ccccc1NC(=O)Nc1ccc(N2CCN(C(=O)c3cc(F)cc(F)c3)CC2)[nH+]c1,0
+CC(NS(=O)(=O)c1ccc(O)c(N)c1)c1ccccc1Br,0
+COc1ccc(C2[NH2+]CCc3c2[nH]c2ccccc32)cc1CN1CC([N+](=O)[O-])=CN1,0
+Cn1cc(CC(N)COc2cncc(C=Cc3ccncc3)c2)c2ccccc21,1
+CNS(=O)(=O)c1ccc(NC2CCCCC2O)c(N)c1,0
+CC1(O)CC(N)(c2ccc(-c3nc4ccc5nnc(C(F)F)n5c4cc3-c3ccccc3)cc2)C1,1
+C=CCNc1nc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)nc(NCC=C)[nH+]1,0
+NC(COc1cncc(-c2ccc3[nH]nc(C4CC4)c3c2)c1)Cc1c[nH]c2ccccc12,1
+CC([NH3+])C(c1cc(Br)cs1)N1CCCC1CO,0
+Cn1nccc1-c1coc(C(=O)NC2CNCCC2c2ccccc2)c1.O=C(O)C(O)C(O)C(=O)O,1
+C=C(Br)COc1c(Br)cc(CC[NH3+])cc1OCC,0
+CCOc1cc(C[NH3+])ccc1OCCOc1c(Cl)cc(Cl)cc1Cl,0
+NC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(OC(F)F)c3)cn2CCN2CCC2)CC1,1
+NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1Cl,1
+FC(F)(F)c1ccccc1NNC(=S)NCC[NH+]1CCOCC1,0
+COc1cc2ncc3c(N)nc(-c4cncc(OCC(N)Cc5ccccc5)c4)cc3c2cc1OC,1
+CC(=O)c1ccc(NC(=O)C(C)[NH+]2CCCN(c3[nH+]cc(C(F)(F)F)cc3Cl)CC2)cc1,0
+CC1Cc2cc(F)c(F)cc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)[nH]1,1
+CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1ccc(C(C)(C)C)cc1,0
+CC(C)Cc1ccc(C(C)c2nc3ccccc3n2CC(O)C[NH+](C(C)C)C(C)C)cc1,0
+Cc1ccc(C(NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)c2ccccc2)cc1,0
+OC1CCCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)C1,1
+[NH3+]CC1CCC(C(=O)N2CCCCC2CO)CC1,0
+Cc1ccc(CC(N)COc2cncc(-c3ccc4[nH]nc(C)c4c3)c2)cc1F,1
+Cc1ccc(CC(N)C(=O)N2CCN(c3ncnc4ccccc34)CC2)cc1,1
+Cc1ccc(C(=O)N2CC(C(=O)NCCc3ccc(Br)cc3)C3(CC[NH2+]CC3)C2)cc1,0
+CC1CCC[NH+](CC(=O)Nc2ccc(N)cc2Br)C1C,0
+CC[NH+](CC)C(CNC(=O)NCC(=O)Nc1ccc(Br)cc1C)c1ccsc1,0
+O=C(N1CCN(c2ncnc3[nH]ccc23)CC1)C1(c2ccc(Cl)cc2)CCNCC1,1
+O=C(O)c1ccc2nc(-c3ccccc3)c(-c3ccc(CN4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)nc2c1,1
+CC(C)C[NH+]1CC(NCc2c(F)cccc2F)CC1C(=O)NCCc1ccccc1F,0
+CC1SCc2ncnc(N3CCN(C(=O)C(N)Cc4ccc(F)cc4)CC3)c21,1
+CCCCC(C)C(=O)N1CC(C(=O)NCCC[NH+]2CCCCC2C)C2(CC[NH2+]CC2)C1,0
+Cc1cc(NC(C)C(=O)N2CCNC2=O)ccc1NS(C)(=O)=O,0
+CC(C)(C)NC(=O)COc1ccc(Cl)cc1C[NH2+]CCNc1ccc([N+](=O)[O-])cc1,0
+O=C(CN1C(=O)CSc2ccccc21)N1CCOc2ccccc21,0
+CCNC(=O)NC1(C(=O)NCC(c2ccc(C)cc2)[NH+](C)C)CCCC1,0
+CC([NH2+]Cc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl,0
+Cc1ccccc1C[NH+](C)C(C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1,0
+Cc1nn(-c2ccc(C(N)=[NH2+])c(C(F)(F)F)c2)c(C)c1Br,0
+O=C(NNc1ccc(F)cc1Br)NC1CCS(=O)(=O)C1,0
+COc1ccc(C2C3[NH+]=c4ccccc4=C3CC3C(=O)N(Cc4ccc(Cl)cc4Cl)CC(=O)N32)cc1,0
+COc1ccc(CCNC(=[NH2+])NCc2ccc(N3CCC(C)CC3)[nH+]c2)cc1,0
+Nc1ccc(S(=O)(=O)n2cc(C3=CC[NH2+]CC3)c3cc([N+](=O)[O-])ccc32)cc1,0
+NC(CNc1ncc(-c2ccc3cn[nH]c3c2)s1)Cc1ccc(C(F)(F)F)cc1,1
+O=C(C[NH+](CC(=O)Nc1ccc(F)cc1)CC1COc2ccccc2O1)Nc1ccc(F)cc1,0
+Sc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3ccn12,1
+CC1=c2cc(C)cc(CNC(=O)CC3CCC(=O)N3)c2=[NH+]C1c1ccccc1,0
+Cn1ncc(Cl)c1-c1coc(C(=O)NC2(c3ccc(F)cc3)CCNCC2)c1,1
+COc1cccc(C(=O)NC2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)c1,1
+CC(C)c1ccc(C(O)Cn2c(NCCO)[nH+]c3ccccc32)cc1,0
+Cn1nccc1-c1ccc(C(=O)NC2CNCCC2c2cccc(F)c2)nc1,1
+N#CC1(C(=O)N2CCCOCC2)CCCCC1,0
+COc1ccc(NC2[NH+]=c3ccccc3=[NH+]C2=NS(=O)(=O)c2ccc(C)c(C)c2)cc1Cl,0
+CC([NH2+]CCN1CC[NH2+]CC1)(C(=O)[O-])c1ccc(Br)cc1,0
+C[NH+]1CCC(CNS(=O)(=O)c2c(Br)cc(N)cc2Br)C1,0
+Cc1cc(NC(=O)CSCC(=O)Nc2[nH+]cccc2O)no1,0
+CC(Cn1cc[nH+]c1)NC(=O)NCC(c1c(F)cccc1Cl)[NH+]1CCCC1,0
+CC1CCCCC1NC(=O)NC(=O)C[NH+](C)C(C)c1ccc(S(N)(=O)=O)cc1,0
+Cc1ccc(F)c(C(=O)N2CC(C(=O)NC(C)CCCC(C)(C)O)C3(CC[NH2+]CC3)C2)c1F,0
+COc1ccc(C2=[NH+]C3=CC(C(=O)NCCC4=c5cc(OC)ccc5=[NH+]C4)NN3C(C(F)(F)F)=C2)cc1,0
+CC(C(=O)Nc1ccc(F)cc1F)[NH+]1CCCC(C(=O)NC2CCCCC2)C1,0
+O=C(NCCc1ccc(O)cc1)C1CSCC(c2ccccc2Cl)[NH2+]1,0
+CCCCCCCCCCCCc1ccc(S(=O)(=O)Nc2nnc(CC(=O)OCC)s2)cc1,1
+CC1SCc2ncnc(N3CCN(C(=O)C(Cc4ccc(Cl)cc4)CC(C)(C)N)CC3)c21,1
+Cc1cc(Cl)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12,1
+CCCCn1c(=O)[nH]c(=O)c2c1nc(C[NH+]1CCCC1C(N)=O)n2C,0
+CC1Cc2c(F)cccc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)n1C,1
+Cc1cc(C)c(NC(=O)CC[NH+]2CCCC2c2ccc(C(N)=O)s2)c(C)c1,0
+CCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(CC)s2)cc1,1
+CC1CN(C(C[NH3+])c2ccccc2Br)CC(C)(C)O1,0
+CCN(c1cccc(C)c1)c1[nH+]cnc(NCC2CCCO2)c1N,0
+CC(c1ccc(Cl)cc1)[NH+](C)CC(=O)Nc1cccc(S(N)(=O)=O)c1,0
+CCOc1ccc(NC(=NC(=O)c2ccc(C)c(F)c2)NCCC2=c3ccccc3=[NH+]C2)cc1,0
+CC(CCc1ccc(O)cc1)[NH2+]C(C)c1ccc(I)cc1,0
+O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4ccc(-c5nn[nH]n5)cc4nc3-c3ccccc3)cc2)CC1,1
+OC1CCC([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CC1,0
+NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1,1
+NS(=O)(=O)c1ccc(NC(=O)C(SC2[NH+]=c3ccccc3=[NH+]2)c2ccccc2)cc1,0
+COc1cccc2cc(-c3nc4ccccc4[nH]3)c(=[NH+]c3sc4c(c3C(N)=O)CCCC4)oc12,0
+O=S(=O)(C[NH+]=C(NC(=S)Nc1ccc(Br)cc1)c1ccccc1)c1ccccc1,0
+CC(C)CC(C)[NH+](C)CC(=O)Nc1c(Cl)cc(N)cc1Cl,0
+Nc1cc2c(cc1NC1(CO)CCCC1)NC(=O)CC2,0
+Cc1ccc(C)c(NC(=S)N(Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1,0
+Nc1nc(N)c(-c2ccc(Cl)cc2)c(COc2ccc(CCC3(CCl)OCCO3)cc2)n1,0
+Cc1ccc(C(=O)Nc2cc(NC(=O)Cc3ccc4c(c3)=[NH+]C(C)[NH+]=4)ccc2C)cc1,0
+CCOc1ccccc1CNC(=O)C1[NH+]=c2ccccc2=C1NC(=O)c1cccc(C)c1,0
+COC(=O)c1cc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)ccc1F,1
+CCCOC(=O)c1ccc(OC2=CN=[NH+]C2c2ccc(OCC(=O)NN)cc2O)cc1,0
+Cl.Cn1nccc1-c1ccc(C(=O)NC2CNCCC2c2ccc(Cl)cc2)s1,1
+Cc1cc(Cl)c2c(c1)C1([NH2+]C(CC(N)=O)C3C(=O)N(Cc4ccccc4)C(=O)C31)C(=O)N2,0
+CNC(=O)NC(=O)C(C)[NH2+]CC1(c2cccc(Cl)c2)CCCC1,0
+CCCNC(c1ccc(C=[NH+]C(CC)(CO)CO)cc1)C(Cl)(Cl)Cl,0
+Cc1cc(C)c(NC(=O)CSc2nc3sc4c(c3c(=O)n2CCC[NH+](C)C)CCCC4)c(C)c1,0
+CC(NCC(C)(C)C[NH+](C)C)C(=O)NC12CC3CC(CC(C3)C1)C2,0
+Cc1cc[nH+]c(NC(c2cccc(Br)c2)c2c(NC(=O)c3ccco3)sc(C)c2C)c1,0
+CC[NH+]1CCc2c(sc3c2C(O)=NC(c2ccc(OC(=O)c4cccc5ccccc45)c(OC)c2)N3)C1,0
+Cc1ccc(F)c(NC(=O)C(=O)NCC2CCC[NH+](Cc3cccs3)C2)c1,0
+COc1ccc(-n2c3c(c(=O)[nH]c2=O)C(NC(=O)c2cccs2)(C(F)(F)F)C(=O)N3)cc1,0
+CC(C(=O)Nc1sc2c(c1C(N)=O)CCC2)[NH+]1CCC2CCCCC2C1,0
+O=c1oc2cc(Br)ccc2n1C[NH+]1CCN(Cc2ccncc2)CC1,0
+CCC(CC)C(=O)N1CC(C(=O)NCc2ccccc2Sc2ccccc2CO)C2(CC[NH2+]CC2)C1,0
+C[NH+](C)C(CNC(=O)NCc1ccc(S(N)(=O)=O)cc1)c1cccs1,0
+NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,1
+CC(C)(C)c1cc(C2CSCC(C(=O)NCCc3ccccc3Cl)[NH2+]2)cc(C(C)(C)C)c1O,0
+CN(C)c1n[nH]c2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12,1
+CCOc1cc(C[NH3+])cc(Br)c1OCC(=O)NC(C)(C)C,0
+CC1=NC=CC(=NC(=O)c2ccc3ccccc3n2)C1,0
+Cc1nc(C2([NH2+]CC(=O)NC(=O)NCC(F)(F)F)CCCCC2)no1,0
+OC(COc1ccccc1C[NH2+]C(C1CC1)C1CC1)C[NH+]1CCc2ccccc2C1,0
+COc1ccccc1CCC(=O)NC(CC(C)C)C(=O)NC1[NH+]=c2ccccc2=[NH+]1,0
+COc1ccccc1CN(C(=S)Nc1ccc(C(F)(F)F)c(Cl)c1)C1CC(C)(C)[NH2+]C(C)(C)C1,0
+CCCC[NH+](C)C(C[NH3+])c1ccc([O-])c(Br)c1,0
+CC1CC(O)c2ncnc(N3CCN(C(=O)C(CN)c4ccc(C(F)(F)F)cc4)CC3)c21,1
+CCc1cc2cc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)ccc2cn1,1
+Cc1cn2c([nH+]1)CCC(NC(=O)COc1ccc(CC(N)=O)cc1)C2,0
+Cc1c[nH]c2ncnc(N3CCC(N)(CNC(=O)c4ccccc4F)C3)c12,1
+CCC(C)[NH+]1CCN(CCC([NH3+])c2ccccc2Br)CC1,0
+CC([NH3+])C(c1ccc(Cl)s1)N(C)Cc1cc(Br)cs1,0
+CC(C)CCNCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,1
+CCOc1cc(C(C[NH3+])N2CCCc3ccccc32)ccc1O,0
+CCCCOc1ccc(NC(=O)NCC(c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1,0
+Cn1nc(C(=O)NCc2ccccc2F)c2c1CCC([NH2+]CC(C)(C)CO)C2,0
+O=C(c1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CCCSc2ccccc21,0
+CC1(C)CC(=NNC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC(C)(C)[NH2+]1,0
+CCC(CO)[NH2+]CC(O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21,0
+Cc1c(NC(=O)C(=O)NCc2ccccc2C[NH+](C)C(C)C)cccc1C(N)=O,0
+Cc1cccc(C)c1NC(=S)NC(=[NH2+])N1CCN(Cc2ccccc2)CC1,0
+Cc1ccc(C(=O)N2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1,1
+COc1cc(OC)c2c(c1)OC(C)(C)CC2([NH3+])C(=O)[O-],0
+O=C(NNC(=O)c1ccccc1OCC1=CN2CC=CC=C2N1)C1=c2ccccc2=[NH+]C1,0
+CC(C)[NH+]1CCc2c(sc3c2C(O)=NC(c2ccc(OCc4ccccc4)cc2)N3)C1,0
+CCC(C)c1ccccc1NC(=O)C(C)[NH+]1CCN(c2ccc(O)cc2)CC1,0
+CCOc1cc(C=C(C#N)C2[NH+]=c3ccccc3=[NH+]2)ccc1Nc1cccc(C(=O)[O-])c1,0
+NC1(c2ccc(-c3nc4c5ccc(Br)cc5nn4cc3-c3ccccc3)cc2)CCC1,1
+NC(=O)c1ccc(-c2c[nH]c3nccc(Cl)c23)cc1,1
+Nc1c[nH+]c2ccc(Br)cc2c1NC1CCOCC1,0
+O=C1CC2OC(c3ccsc3)C3=C(C(=O)c4ccccc4C3=O)C2O1,1
+CC([NH2+]CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)c1ccc2ccccc2c1,0
+Cc1cc(N)cc(S(=O)(=O)NC(C)C[NH+]2CCCC2)c1C,0
+N#Cc1c(NC(=O)CCCC(=O)Nc2sc3c(c2C#N)CCCCCC3)sc2c1CCCCCC2,0
+O=C(NN=Cc1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)c1cc(O)cc(O)c1,0
+O=C(C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)Nc1ccccc1Cc1ccccc1,0
+COc1ccc(NC(=O)c2cc3cc(Cl)ccc3oc2=[NH+]c2ccc(S(N)(=O)=O)cc2)cc1,0
+NC(=O)COc1ccc(NC(=O)NCC(c2ccco2)[NH+]2CCCC2)cc1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1ccccc1OCCN1CCCCC1,1
+CC[NH+](CC)CC1C(N)c2cc(Cl)ccc2OC1(C)C,0
+NC(=O)c1cc(-c2cccnc2)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12,1
+CC(C)C(=O)N1CCN(C(=O)c2c3c(nc4ccccc24)C(=Cc2ccco2)CCC3)CC1,0
+NC(=O)N1CCC([NH2+]C2CCCNC2=O)CC1,0
+CC(NC(=O)c1cccs1)C(=O)NNC(=S)NC1CCCCC1C,0
+COC(=O)c1cnn2cc(-c3c(F)cccc3F)c(-c3ccc(CN4CC(c5n[nH]c(-c6cccc(C)n6)n5)C4)cc3)nc12,1
+NS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(Br)s2)cc1,0
+CCC([NH3+])C(c1cccc(Br)c1)N(CC)CC(F)(F)F,0
+CCOc1cc(C[NH2+]Cc2ccco2)cc(Br)c1OCc1ccc(Cl)c(Cl)c1,0
+Cn1c(CC(=O)Nc2ccc(F)c(F)c2)nc(N2CCOCC2)cc1=O,1
+COc1ccccc1C1(O)CCC[NH+](CC(O)c2ccc(Cl)cc2)C1,0
+C=CCN1C(=O)NC(c2cccc(F)c2)C(C(=O)OCC)=C1C[NH+]1CCCN(C(=O)NC(C)(C)C)CC1,0
+Cc1ccc2ccc(C(Nc3cccc(C)[nH+]3)c3ccc(O)cc3)c(O)c2n1,0
+CC1(C)Oc2ccc3ccc(=O)oc3c2C(=CNc2ccccn2)C1=O,0
+CCOC(=O)C1=C(CN2CC[NH+](C3CCCCC3)CC2)NC(=O)NC1c1ccc(OC)cc1,0
+Oc1ccc(Br)cc1C=NC[NH+]=Cc1cc(Br)ccc1O,0
+NC(=O)C(Sc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1)c1ccccc1,0
+CN1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7cc[n+]([O-])cc7)[nH]6)CC5)cc4)nc3n2)CC1,1
+CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C2CC2C(=O)N3)CC1)c1ccc(Cl)cc1,1
+CCc1nn(-c2cccc(C)c2)c(N2CC[NH+](C)CC2)c1C[NH+](Cc1ccc(C)cc1O)C1CC1,0
+NC1(c2ccc(-c3nc4c(Br)cc(Cl)cn4c3-c3ccccc3)cc2)CCC1,1
+NC1=[NH+]c2nc3cc4c(cc3n2C(c2ccc(OCCO)cc2Br)N1)OCCCO4,0
+CNCCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2C#N)CC1,1
+CCOc1cc(C[NH2+]CCNCCO)cc(Br)c1OCc1ccccc1C,0
+CCN(c1ccccc1)c1nc[nH+]c(Nc2ccccc2OC)c1N,0
+Oc1nc2ccccc2n1C1CCN(Cc2ccc(-c3nc4ccccc4nc3-c3ccccc3)cc2)CC1,1
+COc1cc(C[NH2+]C2CCCc3c2cnn3-c2ccc(C)c(C)c2)cc(Cl)c1O,0
+Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)c1nnn(-c2nonc2N)c1C[NH+](C)C,0
+CCOc1cccc(N2C(=O)CC(SC(=[NH2+])NN=C(C)c3ccc(O)cc3)C2=O)c1,0
+O=C(NCCNc1ccccc1)C1CN(C(=O)c2ccc3ccccc3c2)CC12CC[NH2+]CC2,0
+NC(=O)CSc1ccccc1NC(=O)C[NH+]1CCCC1c1ccc(F)cc1,0
+CC(C(=O)Nc1c(N)cc(Cl)cc1Cl)[NH+]1CCSCC1,0
+O=C1C=C(N2CCc3ccccc3C2)C(=O)N1c1ccccc1,0
+COc1ccc(C)cc1NC(=O)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+O=c1oc2cc(OC3OC(CO)C(O)C(O)C3O)ccc2cc1-c1nc2ccccc2o1,0
+Cc1cccc(C2CCNCC2Nc2ccc(C(N)=O)c3ncncc23)c1,1
+CC(=O)N1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC1,1
+CCOc1ccc(CNC(=O)C2[NH+]=c3cc(OC)ccc3=C2Sc2ccccc2)cc1,0
+CC[NH+](CC)CCNC(=O)C1CN(C(=O)Cc2ccc(C)cc2)CC12CC[NH2+]CC2,0
+CC(C)[NH+](C)CCCCNC(=O)c1cc(N)c(F)cc1Br,0
+NS(=O)(=O)c1cccc(C[NH2+]Cc2cc(Br)cs2)c1,0
+COc1ccc(C2CCCCC[NH+]2CC(=O)Nc2c(Cl)cccc2C(F)(F)F)cc1,0
+COc1ccc(C)cc1C(C)[NH2+]C(C)C(=O)Nc1c(C)cc(C)cc1Cl,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)COc2cccc(Cl)c2)CC12CC[NH2+]CC2,0
+CNC(=O)COc1ccccc1C[NH2+]CCCC(=O)Nc1ccc(Cl)cc1,0
+NC(CNc1cnc(-c2ccc3cnccc3c2)s1)Cc1ccc(C(F)(F)F)cc1,1
+CC1CN(c2ccc(CNC(=O)NCC3CCCO3)c[nH+]2)CC(C)O1,0
+CC[NH+](CC)CCNC(=O)c1cc(NC(=O)Nc2ccc(OC)cc2)ccc1N(C)C,0
+CC(c1nnc(SC(C(=O)Nc2ccc(F)cc2)c2ccccc2)n1-c1ccc(F)cc1)[NH+](C)C,0
+Cc1ccsc1C1Cc2c(C(=O)NCC[NH+]3CCOCC3)c(=O)cc(C)n2-c2ccccc2S1,0
+Cc1cccc(OC(C)C(=O)NNC(=O)CSCc2nc3sc4c(c3c(=O)[nH]2)CCC4)c1C,0
+CCC([NH2+]CC(=O)Nc1ccccc1OCc1ccccc1)c1ccccc1,0
+NC(=O)CCN(Cc1ccccc1)C(=O)CSC1[NH+]=c2ccc(Cl)cc2=[NH+]1,0
+Cc1ccsc1C(=O)NNC(=O)c1ccc2c(c1)OCCO2,0
+C=CCn1c(CNc2ccc(Cl)cc2)nnc1SC(C)C(=O)NN=Cc1c(O)ccc2ccccc12,0
+CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccccc4Cl)c3)cc2s1,1
+NS(=O)(=O)c1ccc(NC(=O)C[NH2+]CC2CC2)c(Br)c1,0
+COc1ccc(S(=O)(=O)N=C(N)NCCC2=c3cc(F)ccc3=[NH+]C2C)cc1C,0
+CC(=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccc(Br)cc1,0
+COc1ccc(S(N)(=O)=O)cc1C(=O)[O-],0
+CC(C)CNC([O-])=C1CN(C(C)C)C=C(C(=O)NCCC2[NH+]=c3ccc(Cl)cc3=[NH+]2)C1=O,0
+Cc1ccc(S(=O)(=O)Nc2ccc(O)c(C3=C([NH+]4CCOCC4)C(=Cc4ccccc4)CC3)c2)cc1,0
+CCC(CC)C(=O)N1CC(C(=O)NC(C)CCCC(C)(C)O)C2(CC[NH2+]CC2)C1,0
+CCOc1c(Br)cc(C[NH2+]CCS(N)(=O)=O)cc1Br,0
+CCCOC(=O)CCc1cc2c(C)cc(=O)oc2c(C[NH+]2CC3CC(C2)c2cccc(=O)n2C3)c1O,0
+Nc1c(NNc2ccccc2)nc[nH+]c1Nc1ccc(Oc2ccccc2)cc1,0
+NC(=[NH2+])N1CCCC(NC(=O)CN2CCCC(NS(=O)(=O)Cc3ccccc3)C2=O)C1O,0
+NC(=O)c1c(NC(=O)c2cc3n(n2)C(C(F)(F)F)CC(c2ccco2)N3)sc2c1CCCCC2,0
+Cc1ccc(Nc2nc(N)nc(C[NH+](C)Cc3ccc(Br)s3)n2)cc1,0
+CCn1c(NCc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)[nH+]c2ccccc21,0
+CC[NH+]1CCN(CCCNC(=S)Nc2ccc3nc(N4CC[NH+](CC)CC4)cc(C)c3c2)CC1,0
+NC(=O)c1ccc(NC2CCNCC2c2ccc(F)cc2)c2cncnc12,1
+Clc1ccc2c(c1)C1(CCNCC1)CN2c1ncnc2[nH]ccc12,1
+COc1ccc(CN2C(=O)C3C(CCC(N)=O)NC4(C(=O)Nc5c(C)cc(Cl)cc54)C3C2=O)cc1,0
+Cc1noc(C)c1S(=O)(=O)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CNCCCN4CCN(C)CC4)cc3)nc2n1,1
+CC1CC(C)C[NH+](CCCCNC(=O)NNC(=O)Cc2ccccc2F)C1,0
+CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(CF)CC3)CC1)c1ccc(Cl)cc1,1
+COc1cccc(C2=NC(c3ccc(F)cc3)[NH2+]C(c3ccccc3O)C2)c1,0
+CC1CC(C)C[NH+](CCNC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1,0
+COc1ccc2cc(C(=O)Nc3ccccc3C)c(=[NH+]c3ccc(S(N)(=O)=O)cc3)oc2c1,0
+COc1cc(C[NH2+]CC[NH2+]CC(C)O)cc(Br)c1OCc1ccc(C)cc1,0
+CC1[NH+]=c2ccc(Cl)cc2=C1CCNC(=S)Nc1ccc(Cl)c(Cl)c1,0
+O=C(NCc1ccccc1Sc1ccccc1CO)C1CN(C(=O)C2CC=CCC2)CC12CC[NH2+]CC2,0
+CC[NH+](CC)CCCN1C(=O)C(=O)C(=C(O)c2c(C)nc3ccccn23)C1c1cccc(Br)c1,0
+O=S(=O)(N=C1[NH+]=c2ccccc2=[NH+]C1NCCc1ccccc1)c1cc(Cl)ccc1Cl,0
+Cc1c(C(N)=O)oc2c1C(=NNC(=O)c1cccs1)CCC2,0
+CC(NC(=O)C1CN(C(=O)c2ccc3ccccc3n2)CC12CC[NH2+]CC2)c1ccc(Br)cc1,0
+CCC(CC)(C[NH3+])NS(=O)(=O)c1c(F)cc(F)cc1F,0
+c1ccc(-c2cc3ccncc3nc2-c2ccc(CN3CCC(c4n[nH]c(-c5ccccn5)n4)CC3)cc2)cc1,1
+NC1(c2ccc(-c3nc4ccc(Cl)cn4c3-c3ccccc3)cc2)CCC1,1
+CCOC(=O)c1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1,1
+CCC[NH2+]Cc1cc(Br)c(OC(C)C(N)=O)c(OC)c1,0
+COc1cc(C[NH2+]C23CC4CC(C)(CC(C)(C4)C2)C3)cc(Br)c1OCC(N)=O,0
+CCC[NH+](Cc1ccccc1)C(c1ccc(Br)s1)C(C)N,0
+COc1cccc(-n2c(C)cn3c4c(=O)n(CC(C)CNc5ccccc5N)c(=O)n(C)c4nc23)c1,0
+c1ccc(-c2cc(-c3nn[nH]n3)cnc2-c2ccc(CNCc3ccc(-c4csnn4)cc3)cc2)cc1,1
+Cn1ncc(Br)c1-c1ccc(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CCNCC2)cc1,1
+COc1ccc(NC(=O)CC2SC(=NS(=O)(=O)c3ccc(C)cc3)N(C3CCCCC3)C2=O)cc1,0
+Cc1cccc2c1NC(=O)C21[NH2+]C(CC(N)=O)C2C(=O)N(CCc3ccccc3)C(=O)C21,0
+[NH2+]=C(NCCCc1c[nH]cn1)NCCC(c1ccccn1)c1ccccc1F,0
+COc1cc(-c2ncc[nH]2)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12,1
+CCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2C(N)=O)sc2c1CC(C)(C)[NH2+]C2(C)C,0
+CC(C)c1ccc(C2CC(C(F)(F)F)n3nc(-c4nnc(S)n4CCC[NH+](C)C)cc3N2)cc1,0
+CCc1cc(C(c2ccc(OC)cc2OC)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1,0
+Cc1ccc(Cl)cc1NC(=O)C(=O)NCC(c1ccc(N(C)C)cc1)[NH+]1CCc2ccccc2C1,0
+OC12CC3CC(C1)CC([NH2+]Cc1cccc(OCc4ccc(F)cc4)c1)(C3)C2,0
+Cn1cncc1-c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+CC1CCC(NC(=O)C[NH+](C)C(C)c2ccc(S(N)(=O)=O)cc2)CC1,0
+CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(C(F)(F)F)cc4)c3)cc2s1,1
+COc1ccc(C(C(=O)NC(C)(C)CC(C)(C)C)N(C(=O)c2cccc(O)c2O)c2ccccc2)cc1,0
+CC(C)(C)c1cc(C2CSCC(C(=O)NCc3ccc(F)c(F)c3)[NH2+]2)cc(C(C)(C)C)c1O,0
+O=C(C[NH+]1CCc2sccc2C1c1cccs1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1,0
+Cc1cc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)ccc1F,1
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)c2cccc(Cl)c2)CC12CC[NH2+]CC2,0
+CC(C(=O)Nc1ccccc1OC(F)F)[NH+]1CCC(c2ccc(O)cc2)CC1,0
+NC(=O)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccccc21,0
+COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C(C)[NH+]1CCN(c2cccc(C)c2C)CC1,0
+NC(Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccnc3[nH]ccc23)CC1,1
+Cc1cc(C)c2c(c1)N(CC(=O)N1CCC3(CC1)OCCO3)CCC2,0
+CCOc1ccc(C2NN=C(SCC3[NH+]=c4ccccc4=[NH+]3)N2N)cc1,0
+CNC(=O)C(C)NS(=O)(=O)c1ccc(C[NH3+])cc1,0
+OCCNCc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3ccn12,1
+CC1[NH+]=c2ccc(F)cc2=C1CCNC(=S)Nc1ccc(Cl)cc1,0
+CC[NH+](CC)CCNC(C(N)=O)c1ccc(OC)c(Br)c1,0
+CCOc1c(Br)cc(Br)cc1C[NH2+]C1CCCCC1O,0
+O=S(=O)(NN=Cc1cccc(O)c1O)c1ccc(F)cc1,0
+CCCC(C[NH3+])(CCC)C(=O)Nc1cc(F)c(F)c(F)c1,0
+CCOc1ccc(C(O)(c2ccccc2)C(C[NH+]2CCCCCC2)Oc2ccccc2)cc1,0
+CC1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+COc1ccc(CNC(=O)CCC23CCC(C)(O)CC2C(C)(C)CC3[NH2+]C2CCN(C(C)=O)CC2)cc1,0
+CCN(CC)CCn1cc(-c2ccc(F)c(C)c2)nc1C1CCN(c2ncnc(N)c2C#N)CC1,1
+CC(C)[NH+](CCNC(=O)NCC(O)c1ccc(F)c(F)c1)C(C)C,0
+Cc1ccc(NC(=O)NC(=O)C(C)SC2NN=C(C3=c4ccccc4=[NH+]C3)N2C2CC2)c(C)c1,0
+C[NH+](C)CCOc1cccc(CNC(=O)C(=O)Nc2sccc2C(N)=O)c1,0
+OCC(CO)[NH2+]Cc1ccccc1OCC(O)C[NH+]1CCc2ccccc2C1,0
+O=C(N1CCN(c2ncnc3[nH]cc(Br)c23)CC1)C1(c2ccccc2)CCNCC1,1
+Cl.Cn1ncc(C(=O)O)c1-c1ccc(C(=O)NC2CNCCC2c2cccc(F)c2)s1,1
+NC(=O)c1cccc2c(NC(CN3CCC3)c3ccc(F)c(F)c3)ncnc12,1
+CC1CC(C)C[NH+](Cc2ccccc2CNC(N)=[NH+]CC2CCCO2)C1,0
+C#Cc1ncc(OCC(N)Cc2c[nH]c3ccccc23)cc1-c1ccc2cnccc2c1,1
+CC1c2ccsc2CCN1C(=O)C(=O)N(C)c1cccc(C#N)c1,0
+NC(COc1cncc(-c2ccc3[nH]nc(C(F)(F)F)c3c2)c1)Cc1c[nH]c2ccccc12,1
+CC1=C(S(=O)(=O)N2CCC(C(C)C(=O)NCCC3=c4ccccc4=[NH+]C3)CC2)C(C)ON1,0
+Cc1cc(Cl)cc2c1NC(=O)C21NC(CC(N)=O)C2C(=O)N(Cc3ccccc3Cl)C(=O)C21,0
+O=S(=O)(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccc(F)cc1,1
+CCOc1cc(C[NH2+]CC(C)O)cc(Br)c1OCc1ccccc1F,0
+CN(C)C(=O)C[NH+]1CCCN(C(=O)C2CC2[NH3+])CC1,0
+ClCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,1
+CC(C)[NH2+]C(C)(CCCSc1ccccc1Br)C(N)=O,0
+Cc1c[nH]c2ncnc(N3CC4(CCNCC4)c4ccccc43)c12,1
+C[NH+](CC(=O)Nc1ccc(Cl)c(N)c1)Cc1cc(Br)cs1,0
+COc1ccc(C=CS(=O)(=O)NCCNc2[nH+]cc(C(F)(F)F)cc2Cl)cc1OC,0
+CCCCC([NH3+])c1nc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)co1,0
+CC(C)C([NH3+])c1nc(C(=O)NC(CSCc2ccccc2)C(=O)Nc2ccc([N+](=O)[O-])cc2)co1,0
+Cc1n[nH]c2ccc(-c3nnc(NCC(N)Cc4ccccc4Cl)s3)cc12,1
+CC1CC(C)C[NH+](CCCNC(=O)NNC(=O)CC2CCCCC2)C1,0
+CCCOc1ccc(C2C(C(=O)Nc3ccccc3C)=C(C)Nc3nc(SCc4ccccc4)nn32)cc1,0
+CCOc1ccccc1C(=O)NC(Nc1ccc(C)c[nH+]1)(C(F)(F)F)C(F)(F)F,0
+CC1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=S)n1C,1
+CC[NH+](CC)C(CNC(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1)c1ccsc1,0
+O=C(NCC[NH+]1CCc2sccc2C1)Nc1cccc(-c2ccc(=O)[nH]n2)c1,0
+Cc1cccc(COc2ccc(Br)cc2C[NH2+]CCCCO)c1,0
+CCC(C)NC(=O)CN1C(=O)CSC(c2cccc(C)c2)c2c(C(C)(C)C)nn(-c3ccc(C)cc3)c21,0
+O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccccc1,1
+NCC(NC(=O)c1ccc(-c2ccncc2)cc1)c1ccccc1,1
+Cc1cc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4C#N)CC3)n2)ccc1F,1
+CC(=NNC(=N)N)c1cc(NC(=O)NCCCCCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1,1
+CCC(C)NC(=O)CC[NH2+]C(C)c1ccc(I)cc1,0
+CC(C)(C)OC(=O)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+CC(C)[NH+](CC(N)=O)CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O,0
+C[NH+](CC(=O)NN1C(=O)NC(C)(c2ccccc2)C1=O)CC(=O)NC(C)(C)C,0
+C=CCC(O)(CC=C)CNC(=O)CC1C(=O)NCC[NH+]1Cc1ccc(F)c(F)c1,0
+CN1CCN(S(=O)(=O)N2CCN(CC(N)=O)CC2)CC1,0
+NCC(Cc1ccccc1C(F)(F)F)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,1
+CCc1ccccc1Nc1nc(N)nc(C[NH+](C)CC(=O)Nc2c(C)cccc2C)n1,0
+CC(=O)Nc1cc(NC(=O)NCC(C)(C)[NH+]2CCCC(C)C2)c(F)cc1F,0
+[NH3+]CCCC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1,0
+CC1CCCC[NH+]1CCCNC(=O)C1CN(C(=O)C2CCOCC2)CC12CC[NH2+]CC2,0
+COc1ccc(O)c(C[NH+]2CCCC(C3=NN=CC3c3cccc(C(F)(F)F)c3)C2)c1,0
+COc1ccc(CCNC(=[NH2+])NCc2cccc(NC(=O)C3CCCO3)c2)cc1,0
+CC(OCC(O)C[NH+](Cc1ccccc1O)C1CCCCC1)c1ccc(Cl)cc1,0
+Nc1c(N2CCN(c3ccc(F)cc3)CC2)nc[nH+]c1NN(c1ccccc1)c1ccccc1,0
+CC(=O)Nc1ccc(C(=O)Nc2ccc(C3C=c4ccccc4=[NH+]3)cc2)cc1,0
+NC(COc1cncc(-c2ccc3ncccc3c2)c1)Cc1c[nH]c2ccccc12,1
+C#CCOc1ccc(Br)cc1C[NH2+]C1CCCNC1=O,0
+CC([NH3+])C(c1cc(Br)cs1)N(C)Cc1ccoc1,0
+C=CCCC(O)C[NH+](CCC(C)C)Cc1nc2sc3c(c2c(=O)[nH]1)CCCCC3,0
+Cc1cccc2c1Nc1ncccc1-n1c(-c3ccc(C4(N)CCC4)cc3)nnc1-2,1
+NC(=O)C([NH2+]CC1CCCO1)c1ccc(Br)cc1,0
+Cc1ccc(C)c(S(=O)(=O)NCC[NH2+]C(C(=O)NC(C)(C)C)C(C)C)c1,0
+C[NH+](C)Cc1cccc(CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)c1,0
+Cc1ccc(C(O)(C[NH2+]Cc2ccccc2)c2ccc(Br)cc2)cc1,0
+CSc1ccc(NC(=O)Nc2ccc(C3NC(=S)N(C)C(C)=C3C(=O)OC(C)C)cc2)cc1,0
+Cc1ccc(NC(=S)N(Cc2ccc(F)cc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1,0
+NC(=O)COc1ccc(C[NH2+]C2CCOc3ccc(Br)cc32)cc1,0
+COc1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)NC(C)c3ccccc3)cc2)cc1Cl,0
+O=C(CC1C(=O)NCC[NH+]1Cc1ccccc1C(F)(F)F)NC1Cc2ccccc2C1,0
+O=C(NC(Cc1ccccc1)C(=O)N1CCC2(CC1)NCCc1[nH+]c[nH]c12)c1ccco1,0
+CC1(C)CC(O)CC(C)(C)[NH+]1CC(O)COCCOc1c(F)cc(Br)cc1F,0
+COc1c(O)cc(C(N)=[NH2+])cc1Oc1nc(Oc2cccc(C(=O)N(C)C)c2)c(F)c(C)c1F,0
+CC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1CCN(Cc2cccs2)CC1,0
+O=C(NCC(c1ccco1)[NH+]1CCCCC1)Nc1cc(C(F)(F)F)c[nH]c1=O,0
+OCCN1CCN(c2ccc3nc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC1,1
+CC1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)c(Br)c(=O)[nH]1,1
+O=C(C[NH2+]C(C(=O)[O-])C1CC1)Nc1c(Cl)cc(Cl)cc1Cl,0
+Cc1ccc2c(c1C)NC(=O)C21[NH2+]C(CC(N)=O)C2C(=O)N(Cc3ccccc3)C(=O)C21,0
+Cc1ccc(NC(=[NH2+])Nc2nc(CSc3nnnn3-c3ccccc3)cc(=O)[nH]2)c(C)c1,0
+Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CCN3CCCC3)CC2)c1C=O,1
+Nn1c(CC(=O)N2CCc3ccccc32)nc(N2CCOCC2)cc1=O,1
+CC([NH3+])C(c1ccc(Br)s1)N(C)CC(=O)N1CCCC1,0
+CCC(C)N1NNc2cc(S(=O)(=O)N(C)CC(=O)NCCC3=c4ccccc4=[NH+]C3)ccc21,0
+O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1c2c([nH+]c3ccccc13)N(Cc1ccccc1)CC2,0
+Cc1cccc(NC(=O)C[NH+]2CCN(C(=O)c3ccc(OCc4cn5ccccc5n4)cc3)CC2)c1C,0
+COc1c(Br)cc(C[NH2+]C2(CO)CCCC(C)C2)cc1Br,0
+Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3sc(C)nc3C)C2c2ccc([N+](=O)[O-])cc2)s1,0
+CCCCC(=O)N1CC(C(=O)NC(C)CCCC(C)(C)O)C2(CC[NH2+]CC2)C1,0
+NC(COc1cncc(-c2ccncc2)c1)Cc1c[nH]c2ccccc12,1
+CCn1nc(C)cc1C(=O)Nc1ccccc1C(=O)Nc1ccc(C)cc1C(=O)c1ccccc1,0
+CC(NC1CC[NH+](C2CC2)C1)c1ccc(S(N)(=O)=O)cc1,0
+Cc1c(O)ccc2c(CN3CC4CC(C3)c3cccc(=O)n3C4)cc(=O)oc12,0
+Cc1[nH+]n(C)c(N2CCOc3ccccc3C2)c1N,0
+CCCNC(=O)CN(C)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(CC)cc2)c1,0
+O=C(C([NH2+]C(c1ccccc1)c1ccccc1)c1cccs1)N1CCN(C2=CC=CC3N=CC=C23)CC1,0
+CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[NH+](CC1CC1)CC(O)C(C)C,0
+CC(=O)Nc1cc(NC(C)=O)cc(C2[N-]C3=CC(=[NH+]C(C)=O)C=CC3=[NH+]2)c1,0
+Cc1ccc(NC(=O)CCNC(=O)NCc2cn3cc(C)ccc3[nH+]2)c(Cl)c1,0
+O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4cc5[nH]cnc5cc4nc3-c3ccccc3)cc2)CC1,1
+CCOC(=O)C1=C(COC(=O)C2=c3ccccc3=[NH+]C2)NC(=O)NC1c1ccccc1,0
+C[NH+](CCNC(=O)Nc1ccccc1SCC(N)=O)Cc1ccccc1,0
+CC(C)C([NH2+]CCOc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1,0
+OC(CSc1nnc(NC2CC2)s1)C[NH+]1CCc2ccccc2C1,0
+Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(C2(N)CCC2)cc1,1
+CC[NH+]1C(SCC(=O)NC(CC2=c3ccccc3=[NH+]C2)C(=O)[O-])NNC1c1ccco1,0
+O=C1N(CCc2ccccc2)CCCC1(O)C[NH2+]C1CCCCCC1,0
+CC(C)c1ccc(NC(=O)CC2[NH2+]C3CCCCC3NC2=O)cc1,0
+CCC(C)NC(=O)CN1C(=O)CSC(c2cccs2)c2c(C(C)(C)C)nn(-c3ccccc3C)c21,0
+CC(=N)n1c(=N)ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)cc21,1
+Cc1cc(S(=O)(=O)Nc2ccc(=O)n(C)c2)cc(N)c1C,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)c2cccc(Cl)c2Cl)CC12CC[NH2+]CC2,0
+NC(COc1cncc(-c2cc3c(-c4ccco4)n[nH]c3cn2)c1)Cc1ccccc1,1
+O=C(Cc1nc(-c2ccncc2)cc(=O)[nH]1)N1CCc2c(F)cccc21,1
+CC1CCCC[NH+]1CC(=O)N1N=C2C(=Cc3ccc(Cl)cc3)CCCC2C1c1ccc(Cl)cc1,0
+COc1c(C)cc(S(=O)(=O)NCCC2=c3cc(OC(F)(F)Cl)ccc3=[NH+]C2C)c(C)c1C,0
+Cc1ccc(N2C(=O)C3C(C2=O)C2c4ccccc4C=C[NH+]2C3C(=O)Nc2ccc(Cl)cc2)cc1,0
+COc1cc(C2[NH2+]C(c3ccc(O)c(OC)c3)C(C)C(=O)C2C)ccc1O,0
+CC1(C)CC(N(Cc2ccccn2)C(=S)Nc2ccc(F)cc2F)CC(C)(C)[NH2+]1,0
+CC12CCCCC1CCC1C2CCC2(C)C1CCC2(O)C[NH+](CCO)CCO,0
+CCc1ccc(NC(=O)C(NC(=O)C2Cc3ccccc3C[NH2+]2)C(C)CC)cc1,0
+Cc1cc(C)nc(NC(=NC(=S)NCc2ccco2)NC2CC(C)(C)[NH2+]C(C)(C)C2)n1,0
+CCC(C)CC(=O)N1CC(C(=O)NC(C)c2nc3ccc(C)cc3[nH]2)C2(CC[NH2+]CC2)C1,0
+Cc1cc(-c2cn(CCN(C)C)c(C3CCN(c4ncnc(N)c4C#N)CC3)n2)ccc1F,1
+CC(C)CN(C(=O)C[NH+](C)Cc1ccccc1F)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,0
+NCC(Cc1ccccc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,1
+COc1cc2c(cc1OC)C(c1c(O)nc(O)n(-c3ccc(C)cc3C)c1=O)[NH2+]CC2,0
+Cc1sc2nc(CSc3nnc(C(C)[NH+]4CCCCC4)n3-c3ccc(F)cc3)[nH]c(=O)c2c1C,0
+O=C(NCc1cc[nH+]c(N2CCCCC2)c1)Nc1cc(C(F)(F)F)c[nH]c1=O,0
+COCC(=O)Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,1
+Nn1c(NN=Cc2ccccc2Cl)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1,0
+NC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,1
+C[NH+](C)C(CNC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)c1cccs1,0
+COc1ccccc1N1C(=O)C2C(C1=O)C1c3ccccc3C=C[NH+]1C2C(N)=O,0
+COc1ccccc1C(=O)NCCSC1=c2ccccc2=[NH+]C1c1ccc(Br)cc1,0
+Cc1ccc(S(=O)(=O)N(Cc2ccsc2)C2CC2)cc1N,0
+C[NH+](C)C(C)(C)CNC(=O)c1cc(S(N)(=O)=O)ccc1Br,0
+CC(NC(=O)c1ccccc1NC(=O)COC(=O)c1ccc2c(c1)NC(=O)CS2)c1ccccc1,0
+O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)Nc1ccc2c(c1)CCC2,0
+COC1C[NH+](C(CNc2ccccc2O)c2ccc(S(=O)(=O)C(C)C)cc2)CCN1,0
+CC1[NH+]=c2ccc(OCc3ccccc3)cc2=C1CCNC(=O)CN1NC(C)C(Cl)C1C,0
+CC(C)C(C[NH+](C)C)NS(=O)(=O)c1c(Br)cc(N)cc1Br,0
+NC1(c2ccc(-c3nc4c(-c5ccc6cn[nH]c6c5)cccn4c3-c3ccccc3)cc2)CCC1,1
+CSc1nc2nc(-c3ccc(CN4CCC(c5n[nH]c(-c6cnccn6)n5)CC4)cc3)c(-c3ccccc3)cn2n1,1
+Cc1cc2c(cc1C)=[NH+]C(=O)C(CN(Cc1ccccc1)S(=O)(=O)c1c(C)ccc3nsnc13)C=2,0
+NC(=[NH2+])c1cccc(Cn2c(C(=O)NCc3ccccn3)cc3c(O)cccc32)c1,0
+Cc1nc(N)nc2c1cc(-c1cnn(C)c1)c(=O)n2C1CCC(OCO)CC1,1
+Cc1ccc(Cl)c(C(=O)N2CC(C(=O)NC(C)CCCC(C)(C)O)C3(CC[NH2+]CC3)C2)c1F,0
+CCCCNc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)c1ccc(CCCCl)cc1,0
+Cc1cc(C)c(NC(=O)Cc2csc(C[NH3+])n2)c(Cl)c1,0
+CC(=O)NC12CC3CC(C1)CC(C(=O)NCC(C1CCCCC1)[NH+](C)C)(C3)C2,0
+NCC(Cc1ccccc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,1
+Cc1cc(C)c(NC(=O)CSc2nnc(C(C)[NH+](C)C)n2-c2ccc(Cl)cc2)c(Cl)c1,0
+Cn1cc(Br)c(C(=O)N2c3ccnn3C(C(F)(F)F)CC2c2ccccc2)n1,0
+NC(=O)c1cccc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)c1,0
+COc1cc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)n2C)ccc1F,1
+Cc1c(C(=O)N(C)c2ccc(Br)cc2)sc2nc3n(c(=O)c12)CCCC3,0
+CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(CC)cc2)sc2c1CC(C)(C)[NH2+]C2(C)C,0
+O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)NN=Cc1ccc(O)c(O)c1,0
+O=C(C1=c2ccccc2=[NH+]C1)C(SC1NN=C(NCC2CCCO2)S1)c1ccccc1,0
+CC1=C(C#N)C(=O)N(C(C)C)C(=O)C1=Cc1ccc(-c2ccc(Br)cc2)o1,0
+CC(C)CN(C)Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,1
+C[NH+](C)C(CNC(=O)Nc1ccc(NC(=O)C2CCCO2)cc1)c1cccs1,0
+CCCCOC(=O)c1ccc(NC2[NH+]=c3ccccc3=NC2=NS(=O)(=O)c2ccc(F)cc2)cc1,0
+CC(C)(CNC(=O)C1c2ccccc2Oc2ccccc21)CNC(=O)C1c2ccccc2Oc2ccccc21,0
+NC(CNc1nnc(-c2ccc3cnccc3c2)s1)Cc1ccc(C(F)(F)F)cc1,1
+CCCC1(C(=O)OCC)[NH2+]C(c2ccc(OC)cc2OC)C2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)C21,0
+CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc2o1,1
+Cn1cc(C(CN)c2cncc(C=Cc3ccncc3)c2)c2ccccc21,1
+COc1cc2cnccc2cc1C(=O)NC(c1ccc(Cl)c(Cl)c1)C1CCNCC1,1
+COc1cc(-c2[nH+]c3ccccn3c2NC(C)(C)CC(C)(C)C)ccc1OC(=O)C1CC1c1ccccc1,0
+CC(C)NC(=O)CNC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1,0
+Cc1cc(C)c(C(N)=S)c(NC2(C)CCS(=O)(=O)C2)[nH+]1,0
+O=P1(c2ccccc2O)NN2CCc3cc(-c4ccccc4O)c(-c4ccccc4O)cc3C2CO1,0
+CCCOc1ccc(C2=NN=C3OC(N)=C(C#N)C(c4ccc(OCC(N)=O)cc4)C32)cc1,0
+CC(NC(=O)NCC(C)(C)[NH+]1CCCCC1)C(=O)NCc1ccco1,0
+COc1ccc(C2NN(c3ccccc3C)CC2C[NH2+]CCSc2cnn[nH]2)cc1F,0
+NC1(c2ccc(-c3nc4ccc(Br)cn4c3-c3ccccc3)cc2)CCC1,1
+NS(=O)(=O)c1cccc(NC(=O)C[NH+]2CCCC2c2nc3ccccc3s2)c1,0
+CCOc1ccc(C(=O)NC(C(=O)NC2[NH+]=c3ccccc3=[NH+]2)C(C)CC)cc1OCC,0
+NC(=O)C1CCCN1C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1,0
+Cc1c(-c2ccn[nH]2)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1C,1
+Cc1ccc(NC(=O)CSc2nc3cc(C(=O)[O-])ccc3c(=O)n2CC2CCCO2)c(C)c1,0
+Cc1cc[nH+]c(NC(c2ccc(N(C)C)cc2)c2ccc3cccnc3c2O)c1,0
+CC[NH+]1CCCC1CNS(=O)(=O)c1cc(Br)cnc1N,0
+[NH2+]=C1Nc2nc3cc4c(cc3n2C(c2ccc(-c3cccc(Cl)c3Cl)o2)N1)OCCCO4,0
+Nc1cc(S(=O)(=O)N=c2[nH]c3c(s2)CCCC3)cc[nH+]1,0
+Cc1cc(S(N)(=O)=O)sc1C(=O)NCC1CCC[NH+]1CC1CCCCC1,0
+O=C(CN1CCN(CC2[NH+]=c3ccccc3=[NH+]2)CC1)NC1Nc2ccccc2S1,0
+Cc1ccccc1CSc1nnc(NN=Cc2c(C)nn(CCO)c2C)n1N,0
+CNC(=O)NC(=O)C(C)Oc1ccc(C[NH2+]C)cc1Br,0
+CC([NH2+]CC1CCCCC1C)c1ccc(S(N)(=O)=O)cc1,0
+CC(=O)NCC1CCC[NH+](CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)C1,0
+CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccc(CO)cc3-4)cc2)C1,1
+CC(C)(C)NC(=O)CNC(=O)NCC1CCC[NH+]1CC1CCCCC1,0
+COc1cc(OC)c(CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(OC)c1,0
+COC(=O)c1occc1C1NC(=O)c2cc(Cl)ccc2N1,0
+CC1(C)CC(Nc2ncnc(NCc3ccco3)c2[N+](=O)[O-])CC(C)(C)[NH2+]1,0
+CCc1ccc(C(C)NC(=O)C2CN(C(=O)Cc3ccccc3C)CC23CC[NH2+]CC3)cc1,0
+NC(Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3[nH]ccc23)CC1,1
+O=S1(=O)CCC([NH2+]C2C(O)OC(CO)C(O)C2O)C1,0
+CCOC(=O)C1=C(C[NH+](CC)CC(=O)NCc2cccs2)NC(=O)NC1c1ccccc1,0
+CCCNC(=O)NC(C)(C)C(=O)NCC(c1ccc(C)cc1)[NH+]1CCCC1,0
+COc1ccccc1C(CNC(=O)CSCC(=O)Nc1cccc(C)c1)[NH+]1CCCC1,0
+O=C(NC(=O)N1CCN(c2[nH+]cc(C(F)(F)F)cc2Cl)CC1)c1cccc(C(F)(F)F)c1,0
+CCOc1ccc(Nc2c(CC)c(NC3CCC([NH3+])CC3)c(C#N)c3ccnn23)cc1,0
+CCCC(C)NC(=O)C1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC12CC[NH2+]CC2,0
+CC(C)CCC(=O)NNC(=O)NCc1cc[nH+]c(N2CC[NH+](C)CC2)c1,0
+CC[NH+]1CCC(CNS(=O)(=O)c2cc(Br)ccc2N)CC1,0
+CCC1CCCCN1c1ccc(C(N)=[NH2+])c(C(F)(F)F)c1,0
+Cc1ccccc1C(=O)N1CC(C(=O)NC(C)CCCC(C)(C)O)C2(CC[NH2+]CC2)C1,0
+COc1cccc(C(c2c(NC(C)=O)sc3c2CCCC3)[NH+]2CCC(Cc3ccccc3)CC2)c1,0
+c1ccc(-c2cn3ccnc3nc2-c2ccc(CN3CCC(c4cnc5ccccc5n4)CC3)cc2)cc1,1
+CCN(C(=O)C[NH+](C)Cc1ccccc1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,0
+CCC(C)NC(=O)CCNC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1,0
+CCOC(=O)c1c(NC(=O)C[NH+]2CCN(C(=O)C3CCCO3)CC2)sc(C(N)=O)c1C,0
+COc1ccc(NC(=S)N=C(Nc2nc(C)cc(C)n2)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(OC)c1,0
+CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[NH+](C)C3)cc1,0
+Cc1ccc(C(NC(=O)C[NH+]2CCC(CC(N)=O)CC2)C2CC2)cc1,0
+CC[NH+](CC)C1CCN(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC1,0
+Cc1ccc(C[NH2+]C(C)c2ccc(S(N)(=O)=O)cc2)cc1,0
+COc1ccc(Nc2nc(NN=Cc3cccc(OC)c3O)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1,0
+Cc1nc2cnc3ccc(C#Cc4cccnc4)cc3c2n1-c1ccc(C(C)C#N)cc1,1
+CN(c1cccc(C[NH3+])c1)c1n[nH]c(=O)[nH]c1=O,0
+Cc1nc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1I,0
+CC(CCc1ccc(Br)cc1)NC(=O)NCC1CC[NH+](C(C)C)C1,0
+Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1C(=NNC(N)=[NH2+])CC(C)(C)C2,0
+CCC(C)NC(=O)CSc1nc2n[nH]c(C)c2c(=[NH2+])n1-c1ccc(C)c(Cl)c1,0
+Cc1cccc(N2C(=O)C(C3NCCC4=c5ccccc5=[NH+]C43)C(O)=NC2O)c1,0
+COc1c(Br)cc(Br)cc1C[NH2+]C(C)C(N)=O,0
+Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(CCC[NH+](C)C)c3nc4cc(C)cc(C)c4s3)CC2)cc1,0
+Cc1sc(NC(=O)c2ccco2)c(C(c2ccccc2)[NH+]2CCC(Cc3ccccc3)CC2)c1C,0
+CC1CCC[NH+](CC(=O)Nc2c(N)cc(Cl)cc2Cl)C1C,0
+C[NH+](CC(=O)NC(=O)NCc1cccs1)CC(=O)Nc1ccccc1Cl,0
+N#CC(=CNc1ccc(S(=O)(=O)NC(N)=[NH2+])cc1)c1nc(-c2ccc(F)cc2)cs1,0
+CCC(C)c1ccc(C([NH2+]C(C)C(=O)Nc2ccc(C(N)=O)cc2)C(C)C)cc1,0
+NS(=O)(=O)c1ccc(NC(=O)CC2C=CCC2)c(Br)c1,0
+CC(C)NC(=O)c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+Cc1cc(C)cc(NC2=NC3C(O)C(O)CC(C(=O)NCC[NH+](C)C)C3S2)c1,0
+CC(C)CN(C(=O)CN(C)C(=O)c1cc2c(s1)CCC(C)C2)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,0
+Clc1ccc(OCc2ccccc2Cl)c(C[NH2+]CCCSc2nnnn2-c2ccccc2)c1,0
+CC(C)CN1CCOC(CNC(=O)NCC(O)C[NH+]2CCC(C)CC2)C1,0
+CC1(C)Cc2c(sc(NC(=O)CCS(=O)(=O)c3ccccc3)c2C(N)=O)C(C)(C)[NH2+]1,0
+CC(OC(=O)C(CC1=c2ccccc2=[NH+]C1)NC(=O)OCc1ccccc1)C(N)=O,0
+CN(C)C(=O)C1CSCN1C(=O)CC1NC(=O)NC1=O,0
+Fc1ccc(-c2cn3ccnc3nc2-c2ccc(CN3CCC(c4n[nH]c(-c5cnccn5)n4)CC3)cc2)cc1,1
+CC(NC(=O)C1CCOCC1)C(=O)N1CCCC(NS(C)(=O)=O)C1,0
+CC(NC(=O)CSC1NN=C(C2=c3ccccc3=[NH+]C2)N1C1CC1)c1ccc(S(N)(=O)=O)cc1,0
+NS(=O)(=O)N1CCc2ccc(NC(=O)Cc3cn4ccccc4[nH+]3)cc21,0
+Cc1csc(NC(=O)c2oc3c(c2C)C(=NNC(N)=S)CC(C)(C)C3)n1,0
+CCNS(=O)(=O)c1cccc(C(=O)NC(C[NH+]2CCc3ccccc3C2)C(C)(C)C)c1,0
+CNC(=O)NC(=O)C(C)N1CC[NH+](CC(=O)Nc2c(C)cccc2C)CC1,0
+NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1,1
+O=C([O-])COCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(OCc2ccccc2)cc1,0
+COc1ccc(S(=O)(=O)Nc2cc(-c3ccc4nc(NC(C)=O)sc4c3)cnc2C#N)cc1,1
+CC([NH3+])C(c1ccc(Cl)s1)N(C)Cc1cc(Br)cs1,0
+C=CCC(O)(c1ccc(OCC)cc1)C(C[NH+]1CCCC1)Oc1ccc(Cl)cc1Cl,0
+Cc1cccc(-c2nc(C3CN(Cc4ccc(-c5nc6nc(C7CC7)nn6cc5-c5ccc(F)cc5)cc4)C3)n[nH]2)n1,1
+NC(=O)c1c(NC(=O)C[NH+]2CCn3cccc3C2c2ccccc2)sc2c1CCCC2,0
+c1ccc2c(c1)N(c1ncnc3[nH]ccc13)CC21CCNCC1,1
+CC1CCC[NH+](CC(C)NC(=O)NNC(=O)c2cc(Br)c[nH]2)C1,0
+Cc1ccc(COc2ccc(C[NH2+]C3CCCN(CC(N)=O)C3)cc2)cc1,0
+CCN1CCC([NH+]2CCC(n3cc(C(C)(C)[NH3+])nn3)CC2)CC1,0
+Cc1ccc(OCC(=O)NC(=S)NNC(=O)CCC(=O)Nc2cc(C)ccc2C)c(Br)c1,0
+O=c1[nH]c([O-])c(C(c2ccc([N+](=O)[O-])cc2)c2c([O-])nc([O-])[nH]c2=O)c(=O)[nH]1,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)CC4CCCCC4)c3)cc12,1
+CC(Nc1ccc(S(N)(=O)=O)cc1Br)C1CCC[NH+](C)C1,0
+OCC[NH2+]CCNCc1cn(Cc2ccccc2Cl)c2ccccc12,0
+CC(C)n1nc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c(=O)n(C(C)C)c1=O,0
+CCCC12CN3CC(CCC)(C[NH+](C1)C3c1ccc(O)cc1O)C2O,0
+O=C(O)c1ccc2c(c1)C1C=CCC1C(C(=O)O)N2,1
+O=C(NC1CCCc2ccccc21)C1C[NH2+]CC1C(=O)NC1CCCc2ccccc21,0
+CCOc1ccc(N=C2NC(=O)C(=Cc3cc(I)c(OC)c(OC)c3)S2)cc1,0
+COc1ccc(Br)cc1C=NNc1nnc(SCC(=O)Nc2nccs2)n1N,0
+CC1CC(C)C[NH+](CCNC(=O)NCc2ccc(S(N)(=O)=O)cc2)C1,0
+CCC(=O)Nc1c(C)noc1C=Cc1ccc(S(=O)(=O)NC2CCCc3ccccc32)s1,0
+COc1ccccc1CC(=O)NNC(=O)NCC(C)[NH+]1CCCC(C)C1,0
+CCC1C[NH+]2CCC1CC2CNC(=S)Nc1cc(C)cc(C)c1,0
+CCc1ccc(C(=O)N2CC(C(=O)NC(C)CCCC(C)(C)O)C3(CC[NH2+]CC3)C2)cc1,0
+CCNC(=O)C[NH+]1CCN(CC(=O)NC(=O)NC)CC1,0
+C[NH+]1CCC(CNC(=O)C2CN(C(=O)CCC3CCCC3)CC23CC[NH2+]CC3)C1,0
+CC(C)Nc1c(-c2ccccc2)c(-c2ccc(CN3CC(c4n[nH]c(-c5ccccn5)n4)C3)cc2)nc2nccn12,1
+CS(=O)(=O)NCC[NH2+]CC(=O)Nc1ccccc1Br,0
+NC(=O)N1CCC(C(=O)N2CC[NH+](CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)CC1,0
+O=S(=O)(c1cc(F)ccc1F)n1cnc2ccccc21,0
+Cc1ccc(C(CNS(=O)(=O)c2cc(C(N)=O)n(C)c2)[NH+](C)C)cc1,0
+CCCOc1ccc(Br)cc1C1C(C(=O)Nc2cccc(C)c2C)=C(C)Nc2nnnn21,0
+CCC(C)C[NH+](C)CC(=O)Nc1c(Cl)cc(N)cc1Cl,0
+O=C(Nc1ccc(-c2c[nH]cn2)cc1)C1COc2ccccc2O1,1
+Cc1cc(C)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+COc1ccc(CCNC(=[NH2+])NCc2cccc(C(=O)N3CCCCC3)c2)cc1,0
+COc1ccc(C(O)C[NH+]2CCC(C(O)c3ccc(Cl)cc3)CC2)cc1,0
+C[NH+](C)CCCCNS(=O)(=O)c1c(Br)cc(N)cc1Br,0
+O=C(CN1CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1,0
+Cc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(OCC(N)=O)cc3)CC2)cc1,0
+COC1CCCC1Nc1c(N)c[nH+]c2ccc(Br)cc12,0
+CCC(CC)C(=O)N1CC(C(=O)NC(C)CCCC(C)(C)O)C2(CC[NH2+]CC2)C1,0
+O=C1CC2(CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)Oc2ccccc21,0
+COc1ccc(-n2c(SCC(=O)Nc3ccc(C(C)C)cc3)nc3[nH]nc(C)c3c2=[NH2+])cc1,0
+CCOc1cc(C=C(C#N)C2[NH+]=c3ccccc3=[NH+]2)ccc1OCC(=O)NC12CC3CC(CC(C3)C1)C2,0
+CCOc1cc(C=NNC(=O)c2ccc(N)cc2)cc(Br)c1O,0
+NC(=O)C[NH+]1CCC(NC(=O)C2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)CC1,0
+Cc1cc(O)oc2cc(=[NH+]C(=O)C3CCN(S(=O)(=O)c4cc([N+](=O)[O-])ccc4Cl)CC3)ccc1-2,0
+CC(=O)NC(CC1=c2ccccc2=[NH+]C1)C(=O)Nc1ccc(F)c(NC(=O)C2CC2)c1,0
+COc1cccc(CN(C)C(=O)Nc2cccc(C[NH+]3CCCC3C(N)=O)c2)c1,0
+CC[NH+]1CCN(C(=O)c2oc3c(c2C)C(=NNC(N)=[NH2+])CC(C)(C)C3)CC1,0
+CC1CN(c2cc(=O)[nH]c(CC(=O)N3CCc4c(F)cccc43)n2)CCO1,1
+Cn1c(CC(=O)Nc2cccc(Br)c2)nc(N2CCOCC2)cc1=O,1
+Cc1cc(O)oc2cc(=[NH+]C(=O)CSc3ccc(C(N)=O)cc3[N+](=O)[O-])ccc1-2,0
+CCC[NH+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)c1ccc(Cl)c(Cl)c1,0
+O=c1c(NCc2ccc(Cl)cc2)c(Nc2ccncc2)c1=O,1
+CCOC(=O)c1cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2cn1,1
+Cn1nccc1-c1ccc(C(=O)NC2CNCCC2c2ccc(F)c(F)c2)cn1,1
+COc1cc(OC)c(NC(=O)Nc2ccccc2C2C=c3ccccc3=[NH+]2)cc1Cl,0
+CCC(C)(C)NC(=O)C[NH+]1CC(O)CC1C(N)=O,0
+CC(C(=O)Nc1sccc1C(N)=O)[NH+]1Cc2ccccc2-c2ccccc2C1,0
+Cc1cc(NC(=O)NCC(CC(C)C)[NH+]2CCCC2)ccc1C(=O)NC(C)C,0
+CC(NC(=O)COc1ccc2c(c1)CCCC2)C(=O)NN=Cc1cc(Br)ccc1O,0
+CC(Nc1ccc(CS(N)(=O)=O)cc1)C1CCC[NH+](C)C1,0
+O=C(NC=NO)C1=NOC(CNc2[nH+]cc(C(F)(F)F)cc2Cl)C1,0
+Cc1cc(S(N)(=O)=O)cc(NC(=O)C[NH+](C)C2CCCc3ccccc32)c1C,0
+CCc1c(N)ncnc1N1CCC(c2nc(-c3ccnc(Cl)c3)cn2CCN2CCC2)CC1,1
+CC1(c2ccco2)NC(=O)N(CC(O)C[NH+]2CCc3ccccc3C2)C1=O,0
+CC(C)C1N=NC(=NC(=O)C2CC(=O)N(c3ccc(Br)cc3)C2)S1,0
+CC(=O)c1cccc(NC(=O)Nc2c(O)oc3ccccc3c2=[NH+]C2CCCC2)c1,0
+CCOc1cccc(C2CC(c3ccc(Cl)cc3)=NC(c3ccc(Br)cc3)[NH2+]2)c1O,0
+CC12CCCC3(CO3)C1CC1C(C2)OC(=O)C1C[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1,0
+O=C(NCc1ccccn1)C(=O)Nc1ccccc1C(=O)NCCC1=c2ccccc2=[NH+]C1,0
+CCCCNC(=O)C(c1c(O)cc(O)cc1O)N(Cc1ccc(C)o1)C(=O)c1ccc(Cl)cc1,0
+CCC([NH2+]CC(O)COC(C)c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2,0
+O=C(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccccc1,1
+Cc1cc(C(=O)Nc2nc(-c3cccc(N)c3)cs2)on1,0
+Cc1ccc2nc(NC3=[NH+]C(C(=O)Nc4ccc(Cl)c(Cl)c4)CC(=O)N3)nc(C)c2c1,0
+CC(C)(C)OC(=O)n1ccc2c(NC(=O)Cc3nc(N4CCOCC4)cc(=O)[nH]3)cccc21,1
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1ccccc1,1
+Cn1ncc(Cl)c1-c1cc(C(=O)NC2CNCCC2c2ccc(Cl)c(Cl)c2)oc1Cl,1
+Cc1ccc(CN(C(=S)Nc2ccccc2)C2CC(C)(C)[NH2+]C(C)(C)C2)o1,0
+O=c1ccc([O-])nn1CC[NH2+]CC1(O)CCC[NH+]2CCCCC21,0
+C[NH+](CC(=O)Nc1ccccc1Cl)CC(=O)Nc1sccc1C(N)=O,0
+CN(CCOc1cccc(Br)c1)c1ccc(C(N)=[NH2+])cc1,0
+Cc1cc(S(=O)(=O)N2CCN(c3cc(C)[nH+]c(C)n3)CC2)c2ncccc2c1,0
+CC1(C)Cc2c(sc3nc(N4CC[NH+](CC(=O)N5CC5)CC4)n(Cc4ccccc4Cl)c(=O)c23)CO1,0
+CCC[NH+]1Cc2cccc(NC(=O)C(NC(=O)c3ccccc3C)C(C)C)c2C1,0
+COC(=O)c1cc(Br)cc(Br)c1NC(=O)C1CC(O)C[NH2+]1,0
+CC(C)([NH2+]CC(=O)Nc1ccccc1Br)c1ccc2c(c1)OCO2,0
+N#CCc1ccc(-n2cnc3cnc4ccc(C#Cc5cccnc5)cc4c32)cc1,1
+Cc1cccc(NC(=S)NCC2(C)CC(NC(=S)Nc3cccc(C)c3C)CC(C)(C)C2)c1C,0
+Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=S)NC3CCCC(C)C3C)cc12,0
+CC(C)c1ccccc1NC(=O)C(C)[NH+]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1,0
+CN1CCC2(CC1)CN(C(=O)Cc1nc(N3CCOCC3)cc(=O)[nH]1)c1ccccc12,1
+CC(C)[NH2+]C(CCN1CCN(S(C)(=O)=O)CC1)C(N)=O,0
+N#Cc1ccc(CC(N)C(=O)N2CCN(c3ncnc4ccccc34)CC2)cc1,1
+C[NH2+]C(c1cscn1)c1cc2[nH]c(=O)[nH]c2cc1Br,0
+CCOC(=O)C1=C(CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)NC(=O)NC1c1ccc(C)cc1,0
+O=C(Nc1ccc(N2CCCN(C(=O)c3ccc4c(c3)OCO4)CC2)[nH+]c1)Nc1ccc(F)c(F)c1,0
+CC(C)CNC(=O)C[NH+](CC(=O)NCC(C)C)C(C)c1ccc(S(N)(=O)=O)cc1,0
+CC(=O)NCC1(N)CCN(c2ncnc3[nH]cc(C)c23)C1,1
+C=CC[NH2+]CCn1c(C)c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc12,0
+CC1(C)C([N+](=O)[O-])C(c2ccc(Br)cc2)[NH2+]C(c2ccc(Br)cc2)C1[N+](=O)[O-],0
+O=C1NC(c2ccc(N=Cc3ccccc3O)cc2)(c2ccc(N=Cc3ccccc3O)cc2)c2ccccc21,0
+[NH3+]CC(c1c(O)ccc2ccccc12)N1CCc2ccccc2C1,0
+CC(C(=O)NCC1CCCCC1)[NH+]1CCC(C(=O)NC2CCCCC2)CC1,0
+CCC(C)NS(=O)(=O)c1ccc(NC(=O)C[NH2+]C2CCCCCC2)cc1,0
+Cc1ccc(-n2c([S-])nnc2CSc2nnc(-c3ccn(C)n3)n2CC2CCCO2)cc1,0
+CNC(=O)CC1C(=O)NCCN1Cc1nn(C)c2cccc(Cl)c12,0
+CCONC(=O)c1ccc2c(c1)OCn1c-2nc(-c2ccc(C3(N)CC(C)(O)C3)cc2)c1-c1ccccc1,1
+CCc1ccc(CCNC(=O)C2CN(C(=O)c3c(Cl)cccc3Cl)CC23CC[NH2+]CC3)cc1,0
+CCC([NH3+])C(c1ccc(Br)s1)N1CCCC(CO)C1,0
+CCOC(=O)COc1c(Cl)cc(C=C(C#N)C2[NH+]=c3ccc(OC)cc3=[NH+]2)cc1Cl,0
+CCNC(=O)N1CCC[NH+](CC2=C(C(=O)OCC)C(c3ccccc3C(F)(F)F)NC(=O)N2CC)CC1,0
+CC1Cc2cc(F)ccc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)n1C,1
+CC1SCc2ncnc(N3CCN(C(=O)C(N)Cc4ccc(Cl)cc4)CC3)c21,1
+O=C(C[NH2+]CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(F)cc1,0
+CCC(C)C([NH3+])C(=O)NCCC(=O)N1CCOCCOCCOCCOCC1,0
+O=C(CC1=c2ccccc2=[NH+]C1)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12,0
+CCCCN1C(=O)C2C(Cc3ccc(O)cc3)[NH2+]C3(C(=O)Nc4ccc(Cl)cc43)C2C1=O,0
+CCC[NH+](CC(=O)Nc1ccc(S(C)(=O)=O)cc1)C(C)c1ccc(Cl)c(Cl)c1,0
+CC(=O)NCC1CC=C(S(=O)(=O)NCC(C2=c3ccccc3=[NH+]C2)c2ccccc2)S1,0
+COc1ccc(C)cc1NC(=O)CCc1nc(CSC2[NH+]=c3ccc(Cl)cc3=[NH+]2)no1,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4ccccc4OC(F)(F)F)c3)cc12,1
+C[NH+](CCC(=O)Nc1ccccc1Oc1ccccc1)CC(=O)Nc1ccccc1Cl,0
+C[NH+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)c2C(N)=O)C1,0
+CS(=O)(=O)NCCC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,1
+CC1CN(c2cc(=O)[nH]c(CC(=O)Nc3ccc(F)cc3)n2)CCO1,1
+Oc1nc2ccccc2n1C1CCN(Cc2ccc(-c3nc4ccccc4cc3-c3ccccc3)cc2)CC1,1
+Cc1cccc(C)c1NC(=O)C[NH+](CCc1ccccc1)CC(=O)Nc1c(C)cccc1C,0
+CC[NH2+]C(C)(C(N)=O)c1cc2cc(Br)ccc2o1,0
+Cc1cccc(C)c1NC(=O)C[NH+]1CCN(C(C)C(=O)Nc2cccc(Br)c2)CC1,0
+COc1ccc(-c2cc3c(C)nc(N)nc3n(C3CCC(OCCO)CC3)c2=O)cn1,1
+CCc1ccccc1NC(=O)C[NH+]1CCN(C(=O)CNS(=O)(=O)C=Cc2ccc(C)cc2)CC1,0
+Cc1noc(C2CCCN(C3CCCc4ccccc43)C2)n1,0
+CC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)NN=Cc1ccc(Br)c([N+](=O)[O-])c1,0
+COc1cc(Cl)c(C=NNC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1OC,0
+NC(=NO)c1cc(N2CCN(c3nccs3)CC2)cc[nH+]1,0
+Cc1ncc(CO)c2cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c(=[NH2+])oc12,0
+N#Cc1ccc(NC(=O)C(=O)Nc2ccc(-n3ccnc3)cc2)cc1Cl,0
+CN(CC(=O)NC(C)(C)C)C(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)=[NH+]C(=O)[NH+]=2,0
+Cc1ccc(S(=O)(=O)N2CC[NH+](CC(=O)NN=Cc3ccc(O)c(O)c3)CC2)cc1,0
+C[NH+](C)CC(C)(C)CNS(=O)(=O)c1cccc(C(N)=S)c1,0
+O=C(NCCCC[NH+]1CCCC1)NNc1c(F)c(F)c(F)c(F)c1F,0
+Cc1cccc(NC(=O)C[NH+](C)CC(=O)NC(=O)Nc2cccc(C)c2C)c1C,0
+CC(C)C[NH+]1CCN(C(C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1,0
+CC(C(=O)Nc1sc2c(c1C(N)=O)CCC2)[NH+]1CC=C(c2ccc(O)cc2)CC1,0
+CC(C)(C)N1CC[NH+](CCC(N)c2ccc(Br)cc2)CC1,0
+Cc1sc(NC(=O)c2ccco2)c(C(Nc2cccc[nH+]2)c2ccc(OC(F)F)cc2)c1C,0
+COc1ccccc1C(O)(c1ccc(O)cc1)C(C[NH+]1CCCCC1)c1ccccc1,0
+Cc1ccc(NC(=[NH2+])Nc2nc(C(F)(F)F)cc(C(F)(F)F)n2)c(C)c1,0
+COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)NC1CC1(C)C,0
+Cc1ccc(C=NNc2nc(SCC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)n[nH]2)cc1,0
+Nc1cc(Nc2ccccc2)cc(S(N)(=O)=O)c1,0
+NC(COc1cncc(-c2cc3cn[nH]c3cn2)c1)Cc1c[nH]c2ccccc12,1
+O=C(NC(C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1)C1Cc2ccccc2C[NH2+]1,0
+CC[NH+](CC)C(CNC(=O)C(CCSC)NC(=O)c1ccco1)c1ccccc1Cl,0
+Cc1cc(C(N)=O)ccc1NC(C)c1cc(O)ccc1O,0
+COc1ncc(-c2cc3c(C)nc(N)nc3n(C3CCC(OCC(N)=O)CC3)c2=O)cn1,1
+CN1CC(N2CCN(c3ncc4cc(-c5ccccc5)c(-c5ccc(CN6CCC(c7nnc(-c8ccccn8)[nH]7)CC6)cc5)nc4n3)CC2)C1,1
+COC(=O)c1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,1
+COc1ccc(C2NCCC3=c4ccccc4=[NH+]C32)cc1COc1ccccc1C1CCCCC1,0
+COC(=O)C1=C(C)NC(C)=C(C(=O)OCCc2ccc(Cl)cc2)C1c1cccc([N+](=O)[O-])c1,0
+O=C1CCCc2ccccc2N1Cc1nnsc1Cl,0
+CC(NC(=O)C(NC(=O)C1Cc2ccccc2C[NH2+]1)c1ccccc1)c1ccccc1,0
+CCOc1c(Br)cc(Br)cc1C[NH2+]C(C)C(N)=O,0
+Cc1ccc(NC(=O)CC2[NH2+]C3CCCCC3NC2=O)c(C)c1,0
+COc1cc(C2NC(=[NH2+])Nc3nc4ccccc4n32)ccc1OCc1c(C)noc1C,0
+CCC(NS(=O)(=O)c1ccc(CC[NH3+])cc1)c1cccs1,0
+CC([NH3+])C(c1ccc(Br)s1)N(C)Cc1cc(Br)cs1,0
+CC(C)Cc1ccc(C([NH2+]C(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C(C)C)cc1,0
+COc1cccc2c1OC1(CC[NH+](C(C)C)CC1)N1NC(c3cc(C)ccc3C)=CC21,0
+CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)NC4CCCC(C)C4C)ccc3n2)CC1,0
+CC(C)(N)c1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1,1
+Nc1c[nH+]c2ccc(Br)cc2c1N1CCCC(CO)C1,0
+CC(C)CNC(c1ccc(Cl)cc1)c1ccc(-c2ccncc2)cc1,1
+Cc1ccc(S(=O)(=O)N(CCCc2c(O)cc(N)[nH+]c2C)Cc2cccc(N)c2)cc1,0
+Cc1ccc(C(CNC(=O)NCc2c(C)cc(C)[nH]c2=O)[NH+]2CCCC2)cc1,0
+O=C(NCCc1cccs1)C(O)C(O)C(=O)N1CCN(c2cccc[nH+]2)CC1,0
+COc1ccc(C(NC(=O)NCC(O)C[NH+]2CCC(C)CC2)C2CC2)cc1,0
+NC1(C(=O)NC(CCN2CCCCC2)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,1
+CC(=O)Nc1cccc(NC(=O)CCCNC(=O)N2CCC3=c4ccccc4=[NH+]C3C2)c1,0
+CCN1C(=C2C(=O)N(C)C(=S)N2C)C=Cc2cc(C)ccc21,0
+COc1ccc(CCN2C(=O)C(CC(C)C)[NH2+]C23CCN(S(=O)(=O)c2ccc(C)cc2)CC3)cc1OC,0
+COc1ccc(SCCCC(=O)Nc2sc3c(c2C(N)=O)CC[NH+](C)C3)cc1,0
+COc1ccc(CCC(=O)NCCC(=O)N2CCC3(CC2)NCCc2[nH+]c[nH]c23)cc1,0
+NC1(c2ccc(-c3nc4ncc(-c5ccccc5)cn4c3-c3ccccc3)cc2)CCC1,1
+NC(=O)c1c([NH+]=c2oc3ccc(Cl)cc3cc2C(N)=O)sc2c1CCCC2,0
+CC[NH+]1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CC(N)=O)CC1,0
+CC(C)(C)NC(=O)c1ccccc1NC(=S)NC(=O)C=Cc1cccs1,0
+C#CCn1c(=NC(=O)c2cccc(S(C)(=O)=O)c2)sc2c(C)cc(C)cc21,0
+COc1ccc(C2(C)NC(=O)N(CC(=O)N3CCCC3c3ccc4c(c3)OCCCO4)C2=O)cc1,0
+CCCC(=O)Nc1ccc(CNC(=O)C[NH2+]C(C)c2ccccc2Cl)cc1,0
+O=S1(=O)CCC(C[NH2+]Cc2ccc(O)c(Br)c2)C1,0
+Cc1ccc(CN(C(=O)c2ccc(O)cc2)C(C(=O)NC(C)(C)CC(C)(C)C)c2ccccc2O)o1,0
+CN(C(=O)C(=O)N1CCOC(c2ccccc2F)C1)c1nc2ccccc2s1,0
+C=CCn1c(SCC(=O)Nc2ccc(F)cc2)nc2scc(-c3ccc(C)cc3)c2c1=O,0
+CN1CCN(Cc2cccc3c2CCN3C(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)CC1,1
+CC(C)[NH2+]C1CC(C)(C)C2CC(C)(O)CCC12CCC(=O)N1CCCC1,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4cc(C(F)(F)F)ccc4F)c3)cc12,1
+Cc1cccc(C)c1NC(=O)CNC(=O)C(C)[NH2+]C(C)c1ccccc1Cl,0
+CC1=C(CC(=O)NCC(C2=c3ccccc3=[NH+]C2)c2ccccc2)C(C)NN1CC(C)C,0
+CC1=C(CCN(C)C2NC3NONC3[NH+]=C2N2CCCCC2)C(C)N=N1,0
+Cc1ccc(NC(=O)C[NH+](C)C(C)c2ccc(S(N)(=O)=O)cc2)c(Br)c1,0
+CCOc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=S)Nc2cccc(C)c2)cc1,0
+O=S(=O)(c1cccc(Cl)c1)N1CCc2cc3c(cc2C1)OCCO3,0
+CCC(CC)(CNC(=O)NNC(=O)c1cc(Br)c[nH]1)[NH+](C)C,0
+CC1(C(=O)N2CC(C(=O)NC(Cc3ccccc3)C(=O)N3CCCCC3)C3(CC[NH2+]CC3)C2)CCCCC1,0
+CCCCNC(=O)COc1cccn2cc(-c3ccc(N)cc3)[nH+]c12,0
+Cc1ccc(C(=O)NC(C(=O)NN=Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(C)C)cc1,0
+Cc1ccc(C(OCC(O)C[NH2+]C(CO)C(O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1,0
+CCN(CC)c1cc(Nc2ccc(NS(=O)(=O)c3ccc(C)cc3C)cc2)[nH+]c(C)n1,0
+CC1CCC[NH+](CC(=O)Nc2c(N)cc(Cl)cc2Cl)C1C,0
+CCc1ccccc1Nc1[nH+]cnc(N(CC)c2ccccc2)c1N,0
+O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)c[nH+]2)CC1)Nc1ccc(Cl)c(Cl)c1,0
+COc1cccc(NC(=O)c2cccc(-c3ccc4c(c3)C(O)CC3(CC[NH+](C)CC3)O4)c2)c1,0
+COC1CNC(c2[nH]c(-c3ccc(C)cc3)c[nH+]2)C1,0
+COCCNC(=O)C(NC(=O)C1CC2=c3ccccc3=[NH+]C2C2c3ccccc3C(=O)N12)C(C)C,0
+Nc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1,1
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cccc2sccc12,1
+CC(C)[NH+]1CCc2c(sc(NC(=O)c3ccc(Cl)s3)c2C(N)=O)C1,0
+Cc1ccccc1NC(=O)N(Cc1cccs1)C1CC(C)(C)[NH2+]C(C)(C)C1,0
+CCC([NH2+]C(C)c1ccccc1Cl)c1cc(Br)ccc1O,0
+O=C(O)c1c2c(nc3ccccc13)C(=C1CCCC1)CC2,1
+CN1CCN(Cc2nnc3c4cc(-c5ccccc5)c(-c5ccc(CN6CCC(c7n[nH]c(-c8ccccn8)n7)CC6)cc5)nc4ccn23)CC1,1
+N#CC(=Cc1ccc(OCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1)C1[NH+]=c2ccccc2=[NH+]1,0
+O=C(NCCc1nc2ccccc2[nH]1)C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1Cl,0
+COc1ccc(Nc2[nH+]cnc(N(Cc3ccccc3)c3ccccn3)c2N)cc1,0
+NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1,0
+CC(OCC(O)C[NH+]1CCCC1C(N)=O)c1ccc(Cl)cc1,0
+CC(C)NC(=O)C1C[NH2+]CC1C(=O)NC1CCc2ccccc21,0
+CC(C1CC1)N(C)C(C[NH3+])c1ccc(Br)o1,0
+CCCC1(C(=O)OCC)[NH2+]C(c2ccc(O)cc2)C2C(=O)N(c3cccc(C(C)=O)c3)C(=O)C21,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)CCc2ccccc2)CC12CC[NH2+]CC2,0
+CC(C)C(C(=O)NCC[NH3+])n1cc([N+](=O)[O-])ccc1=O,0
+CSCCC(NC(N)=O)C(=O)NCC(c1cccs1)[NH+]1CCC(C)CC1,0
+CCOC(=O)C1CCC[NH+](Cc2c(O)ccc3c2OC(=Cc2ccc(Br)cc2)C3=O)C1,0
+CN(C)S(=O)(=O)N1CCN(C(=O)C([NH3+])CC(N)=O)CC1,0
+O=C1N=CC=C2N=C(c3ccc(CN4CCC(c5n[nH]c(-c6ccccn6)n5)CC4)cc3)C(c3ccccc3)=CC12,1
+COc1ccc(OC)c(C2CCC[NH+]2CC(=O)Nc2sc3c(c2C(N)=O)CCC3)c1,0
+O=C([O-])C(c1ccccc1)N1C(=O)C(=CC2[NH+]=c3ccccc3=[NH+]2)SC1=S,0
+COc1ccccc1C(O)CNC(=O)NC(C)Cn1cc[nH+]c1,0
+Cc1cc(Cl)c2c(c1)C1([NH2+]C(C(C)O)C3C(=O)N(CCc4ccccc4)C(=O)C31)C(=O)N2,0
+Nc1cc2cc(-c3cnc(NCC(N)Cc4ccc(C(F)(F)F)cc4)s3)ccc2cn1,1
+Cc1ccc(C(C)NC(=O)C[NH+](C)C(C)c2ccc(S(N)(=O)=O)cc2)cc1C,0
+CC(C)(C)NC(=O)C(c1c(Cl)cccc1Cl)N(Cc1ccco1)C(=O)c1cccc(O)c1O,0
+CC1CCc2c(sc(NC(=O)c3ccn(C)n3)c2C(N)=O)C1,0
+CCC([NH3+])C(c1ccc(Br)cc1)N1CCNC(=O)C1,0
+Nc1nc(Cl)cc(NCC2CCC[NH+](Cc3cccs3)C2)n1,0
+Cc1ccc(NC(=O)C[NH2+]CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1,0
+Cc1ccc2c(c1)=C(NNC(=O)C(=Cc1ccc(N(C)C)cc1)NC(=O)c1ccccc1)C(=O)[NH+]=2,0
+Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncncc2Br)CC1,1
+CN(C)C(=O)C1CCC[NH+]1CC(=O)NN1C(=O)NC2(CCCCC2)C1=O,0
+COc1ccc(CCNC(=[NH2+])NCCCc2cn(-c3ccccc3)nc2C)cc1,0
+O=C(CC1NC(=O)c2ccccc2NC1=O)NCCC1=c2ccccc2=[NH+]C1,0
+CC([NH3+])=C(C#N)c1csc(Nc2ccc(F)c(Cl)c2)n1,0
+Cn1c(CC(=O)Nc2cccc(C3CC3)c2)nc(N2CCOCC2)cc1=O,1
+COc1ccc2c(c1)=C(CCNC(=S)Nc1cccc(Br)c1)C(C)[NH+]=2,0
+CC(C)CC([NH3+])C(O)c1cc(Br)c2c(c1)OCCO2,0
+CC(O)C[NH2+]CC[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1,0
+OCC1CCN(c2ncc3c(n2)CCCC3[NH2+]Cc2cccc(Cl)c2)CC1,0
+CC(C)Oc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN2CCC2)CC1,1
+Oc1ccc(C2NCCC3=c4cc(Cl)ccc4=[NH+]C32)cc1O,0
+Cc1n[nH]c2ccc(-c3nnc(NCC(N)Cc4ccc(Cl)cc4)s3)cc12,1
+COc1ccc(OC)c(NC(=O)CSc2nnc(NN=C(C)c3ccc4ccccc4c3)n2N)c1,0
+CCN(c1nc[nH+]c(Nc2ccccc2C(=O)OC)c1N)c1cccc2ccccc12,0
+CN(Cc1ccccc1Br)C(=[NH2+])NC1CC1,0
+Cc1ccc(-c2nn(-c3ccccc3)cc2C2NC(=O)c3n[nH]c(C)c3N2)o1,0
+CC[NH+]1CCN(Cc2c(O)ccc3c(=O)c(Oc4ccccc4C(C)C)c(C(F)(F)F)oc23)CC1,0
+NC1(C(=O)NC(Cc2ccccc2)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,1
+CC(=O)Nc1cc(NC(=O)NC(C)C[NH+]2CC(C)CC(C)C2)ccc1F,0
+CC1CC(C)C[NH+](CC(C)NC(=O)NNC(=O)Cc2ccccc2F)C1,0
+CC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1,0
+CC(C)(C)NC(=O)NC(=O)CCSC1NN=C(C2=c3ccccc3=[NH+]C2)N1C1CC1,0
+CC1CC[NH+](C(C)CNC(=O)NCC(=O)NCC(F)(F)F)CC1,0
+COc1ccc(CN2C(=O)C3C(CC(N)=O)[NH2+]C4(C(=O)Nc5c(Cl)cc(C)cc54)C3C2=O)cc1,0
+O=C(NCCc1cccs1)C1CSCC(c2ccccc2Cl)[NH2+]1,0
+N#Cc1ccc(-c2cnc3cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nn23)cc1,1
+Cc1ccsc1C=Nn1cnc2sc(C)c(C)c2c1=O,0
+CC1(C)CC(NC(=O)NC(CO)C(O)c2ccc([N+](=O)[O-])cc2)CC(C)(C)[NH2+]1,0
+O=C(NC(c1cccc(Cl)c1Cl)C1CCNCC1)c1ccc2cnccc2c1,1
+COc1c(Br)cc(Cl)cc1S(=O)(=O)NC1CC1[NH3+],0
+CC([NH3+])Cc1csc(Nc2ccc(N3CCCC3)cc2)n1,0
+CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1C,0
+Cc1ccc(-c2nc(SC(C(=O)C3=c4ccccc4=[NH+]C3)c3ccccc3)[nH]c2-c2ccc(C)cc2)cc1,0
+O=c1ccc(-c2nnc(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)[nH]2)c[nH]1,1
+NC(=O)C1C2=C(CCC2)SC1NC(=O)CCC1=c2ccccc2=[NH+]C1,0
+CCCCCCCCCCCCc1ccc(S(=O)(=O)Nc2nncs2)cc1,1
+COc1ccc(C(C)NC(=O)C2(N)CCN(c3ncnc4[nH]ccc34)CC2)cc1OC,1
+Cc1ccc(NC(=S)Nc2ccc(Cc3ccc(NC(=S)Nc4ccc(C)cc4)cc3)cc2)cc1,0
+CCN(c1cccc(C)c1)c1nc[nH+]c(Nc2ccccc2C)c1N,0
+CCOC(=O)C1NN(c2ccc(C)cc2)C(=O)CC1NCCC1=c2ccccc2=[NH+]C1,0
+CC1(C)OC2OC(CI)C3OC(C)(C)OC3C2O1,0
+OCCOc1ccc(C[NH2+]C2CCCc3ccccc32)c(Br)c1,0
+Cc1ccccc1CSC1=NNC(Cc2cc(=O)[nH]c(=O)[nH]2)N1c1ccc(Cl)cc1,0
+C#Cc1cccc(NC(=S)NNC(=O)CNC(=O)c2cccc(C)c2)c1,0
+Cc1ccc(S(=O)(=O)N[NH+]=c2oc3cc(O)ccc3cc2C(=O)Nc2cccc(C)c2)cc1,0
+CC1CCCC(NC(=O)C[NH+]2CCN(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)C1C,0
+NC(COCc1ccccc1)COc1cncc(C=Cc2ccncc2)c1,1
+COc1cccc(C=NNC(=O)C(NC(=O)c2ccc(Cl)c(Cl)c2)C(C)C)c1OCC(N)=O,0
+CC(=O)NNC(=O)C(C)Sc1n[nH]c(NN=C(C)c2ccc(Br)cc2)n1,0
+COc1ccc(C(CNc2nc(=O)c(Cc3ccc(C(C)C)cc3)n[nH]2)[NH+]2CCCC2)cc1,0
+C[NH+](C)CCCNC(=O)C(=O)Nc1ccccc1C(=O)NC12CC3CC(CC(C3)C1)C2,0
+Cc1n[nH]c2ccc(-c3cc(OCC(N)Cc4ccccc4)cnc3-c3ccc[nH]3)cc12,1
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cccc2[nH]cnc12,1
+Nc1ncccc1-c1nc2ccc(Nc3ccc(N4CCOCC4)cc3)nc2n1-c1ccc(C2(N)CCC2)cc1,1
+COc1ccc(NC(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)[nH+]3)cc2)cc1Cl,0
+C[NH+]1CCN(c2nc3c(c(Oc4cccc(F)c4)n2)CN(S(=O)(=O)c2ccc(Cl)cc2)CC3)CC1,0
+CNS(=O)(=O)c1ccc(CNC(=O)NCC(c2cccs2)[NH+]2CCCC2)cc1,0
+CCCOc1cccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CC[NH+](CC)CC)c1,0
+O=C1OCC(C(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2)C1Cc1ccccc1,0
+Cc1ccc(Br)cc1NS(=O)(=O)c1ccc(CC[NH3+])cc1,0
+CCc1cc(C(Nc2cccc[nH+]2)c2ccccc2F)c(NC(=O)c2ccco2)s1,0
+Cc1ccc(SCC(=O)NNC(=O)NCC2([NH+](C)C)CCCC2)cc1,0
+NC(=O)C(SC1NN=C(C2=c3ccccc3=[NH+]C2)O1)c1ccc(F)cc1,0
+Cc1ccc(C(C)NS(=O)(=O)c2ccc(CC[NH3+])cc2)s1,0
+C#CCN(Cc1ccc(C)cc1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1,0
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CNCCc4n[nH]c(C)n4)cc3)nc2n1,1
+CNC(=S)N1N=C(C2C(=O)[NH+]=c3ccc(Cl)cc3=C2c2ccccc2)CC1c1ccccc1OC,0
+COC(=O)Nc1ccc(NC(=O)NCC(C)(C)[NH+]2CC(C)CC(C)C2)cc1,0
+CC(C)C(NC(=O)C1CN(C(=O)c2cc(Cl)ccc2F)CC12CC[NH2+]CC2)C(=O)NC(C)(C)C,0
+Nc1ccc[nH+]c1N1CCC(N2CCOCC2)C1,0
+CCC([NH3+])C(c1ccccc1Br)N1CCNC(=O)C1,0
+C[NH+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C1CCc2ccccc21,0
+CON=C(N)c1ccc(-c2ccc3nc(-c4ccc(C(N)=NOC)cc4)cn3c2)cc1,0
+O=C(CNC(=O)Nc1ccc(N2CCCC2)[nH+]c1)Nc1ccc(F)c(F)c1,0
+Cc1ccc(C(NC(=S)Nc2ccc(Cl)cc2)=[NH+]Cc2ccccc2)cc1,0
+CCOc1cc(C2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)ccc1OCc1cccc(C)c1,0
+CC[NH+](CC(=O)NCCC1=c2ccccc2=[NH+]C1)CC(=O)Nc1cccc(OC)c1,0
+CCN(CC)c1ccc(C2C3CCCCC3(O)CC[NH+]2CC(=O)NCc2ccco2)cc1,0
+CC(=O)N[NH+]=C(N)SC1CC(=O)N(c2ccc(C(C)=O)cc2)C1=O,0
+COc1ccc(CCC(=O)N2CC(C(=O)NCCCC[NH+](C)C)C3(CC[NH2+]CC3)C2)cc1,0
+CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cccnc3-4)cc2)C1,1
+Cc1ccc(N2C(=O)C3C4=C(CCCC4)SC3NC2SCC2[NH+]=c3ccccc3=[NH+]2)cc1,0
+CC(C)(C)NC(=O)C(c1cc([N+](=O)[O-])ccc1Cl)N(Cc1ccco1)C(=O)c1c(O)cccc1O,0
+Cc1cc(C(=O)N2CC(C(=O)NCC3COC(C)(C)O3)C3(CC[NH2+]CC3)C2)ccc1Br,0
+NC(CNc1ncc(-c2ccc3[nH]ncc3c2)s1)Cc1ccc(C(F)(F)F)cc1,1
+c1ccc(-c2cc(-c3nn[nH]n3)cnc2-c2ccc(CNCc3ccc(-c4csnn4)cc3)cc2)cc1,1
+Cn1ncc(Br)c1-c1ccc(C(=O)NC2CNCCC2c2cccc(F)c2)nc1,1
+Cc1sc2nc(C[NH+]3CCOCC3)nc(NCCc3ccc(S(N)(=O)=O)cc3)c2c1C,0
+CC(N)C(c1ccc(Br)s1)[NH+](CCO)C1CCCCC1,0
+O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1cc(C(F)(F)F)c[nH]c1=O,0
+COc1ccc(-c2nnc(SCC(=O)NCCC3=c4ccccc4=[NH+]C3)n2C2CCCCC2)cc1,0
+CSc1ccc(C(C[NH3+])N(C)Cc2cc(Br)cs2)cc1,0
+CC(C)c1c[nH+]c2c(c1NOCCO)c(=O)n(C)c(=O)n2C,0
+CCC(C)C(NC(=O)c1ccc(C(C)C)cc1)C(=O)NC1[NH+]=c2ccccc2=[NH+]1,0
+Cc1ccc(-n2cc(-c3ccc(Cl)cc3)[nH]c2=NC(=O)C[NH2+]CC(C)C)cc1C,0
+CCC(NS(=O)(=O)c1ccc(C[NH3+])s1)c1cccs1,0
+Cc1ccccc1C(CC(=O)Nc1cccc2c1CCCC2)NC(N)=O,0
+CCc1nc2cnc3ccc(C#Cc4cccnc4)cc3c2n1-c1ccc(CC#N)cc1,1
+[C-]#[N+]c1cccc(C(=O)Nc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)c1,1
+NC(CNc1ncc(-c2ccc3[nH]ncc3c2)s1)Cc1ccc(C(F)(F)F)cc1,1
+CC(OC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O)C(=O)NC(C)c1ccc(F)cc1,0
+Cc1ccc2nc(C(C)NC(=O)C3CN(C(=O)c4c(C)noc4-c4cc(C)on4)CC34CC[NH2+]CC4)[nH]c2c1,0
+NCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1,1
+CC(=O)NC(CC1=c2ccccc2=[NH+]C1)C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1,0
+O=S(=O)(Cc1ccccc1)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+NC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3cc[nH]c(=O)c3)cn2CCN2CCC2)CC1,1
+NC1(c2ccc(-c3nc4cc(-n5cccn5)ccn4c3-c3ccccc3)cc2)CCC1,1
+CC1CC[NH+](c2ccc(NC(C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)cc2)CC1,0
+CC(=O)NC1CCN(c2ncnc3[nH]cc(C)c23)C1,1
+CC[NH+]1CCCC1CNS(=O)(=O)c1cc(N)cc(C)c1C,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cccc(OC(F)F)c1,1
+Cc1ccc2c(c1)=[NH+]C(C(=O)[O-])C=2C[NH2+]CCc1ccccc1Cl,0
+Cc1c[nH+]c(CN(C)CC2=C(c3cc(C)sc3C)NN(c3ccccc3F)C2)[nH]1,0
+NC1=[NH+]C(C(O)c2ccccc2)C(c2ccc(Cc3ccccc3)cc2)S1,0
+O=C(NC(CC1=c2ccccc2=[NH+]C1)C(=O)NCC1NN=C2CCCN21)c1cccs1,0
+Clc1ccc(C(NCc2ccccc2)c2ccc(-c3cn[nH]c3)cc2)cc1,1
+CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)N(CCC[NH+](C)C)c3nc4c(F)cccc4s3)cc2)C1,0
+Cc1cncc2cccc(S(=O)(=O)N3CCCNCC3C)c12,1
+NC(=O)c1sc2[nH+]c3c(c(C=Cc4ccco4)c2c1N)CCCCCC3,0
+NC(=O)NC(=O)CC[NH+]1CCCC1C(=O)N1CCNCC1,0
+CC(Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1)C(=O)Nc1sccc1C(N)=O,0
+COc1ccc2c(c1)CCC(n1nc(C)c(C)c1C)C2[NH3+],0
+C[NH+]1CCN(CCNC(=O)c2cnn(-c3ccccc3Cl)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1,0
+CC1(C)CC(NC(=S)N(CCN2CCOCC2)CC2CC=CCC2)CC(C)(C)[NH2+]1,0
+Nc1nc(NCCC[NH+]2CCOCC2)nc(NCCO)c1[N+](=O)[O-],0
+NC(=O)c1cccc(C[NH2+]Cc2ccc(I)o2)c1,0
+CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NNC3=NC(=O)C(C)N=[NH+]3)c2)cc1,0
+O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccc2ccccc2c1,1
+CNC(=O)NC(=O)CCC[NH+](C)CC(=O)Nc1ccccc1Cl,0
+CC(=O)Nc1cc(NC(=O)NCC(C)(C)[NH+]2CCCCC2)c(F)cc1F,0
+CC(C)[NH+]1CCc2c(sc(NC(=O)c3cc(=O)c4ccccc4o3)c2C(N)=O)C1,0
+CC(C)[NH+](C)Cc1ccccc1CNC(=O)C(=O)Nc1ccccc1CC(N)=O,0
+CC(C)(C)NC(=O)NC(=O)COC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cccs1,0
+Nc1cccc(C(O)CC[NH+]2CCN(c3ccccc3)CC2)c1,0
+C[NH+](C)CC(C)(C)CNC(=O)CC1C(=O)NCC[NH+]1Cc1ccc(F)cc1,0
+COc1ccc2cc(C(=O)N3CCC(C(C)C(=O)NCCC4=c5ccccc5=[NH+]C4)CC3)[nH]c2c1,0
+CC(C)c1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(Cl)cc3)nc2N)cc1,0
+O=C(c1cc2n(n1)C(C(F)(F)F)CC(c1ccc3c(c1)OCO3)N2)N1CCN(C(c2ccccc2)c2ccccc2)CC1,0
+O=C(CSc1nc2ncc(Cl)cc2[n-]1)Nc1nccs1,0
+Cc1cc(N2CCCCC2)[nH+]c2ccc(NC(=O)Cn3nc(C(F)(F)F)c(Br)c3C)cc12,0
+Cc1ccc(OCC2CCC(C[NH3+])O2)c(Br)c1,0
+Cn1cc(S(=O)(=O)NC(C[NH+]2CCc3ccccc3C2)C(C)(C)C)cc1C(N)=O,0
+CCC([NH2+]Cc1ccc(Br)cc1)c1cc(Br)ccc1O,0
+O=C(NC1N=C(C2=c3ccccc3=[NH+]C2)CS1)C1CC(=O)N(C2CCCC2)C1,0
+Cc1c(C(=O)Nc2ccc(I)cc2)oc2c1C(=NNC(N)=[NH2+])CC(C)(C)C2,0
+NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cnccc3-4)cc2)CC(O)(C2CC2)C1,1
+O=C(CC(O)(c1ccccc1)c1ccccc1)NNC1=c2ccccc2=[NH+]C1=O,0
+Cc1cc(C)c2c(c1)C1(C(=O)N2)C2C(=O)N(c3ccc(Br)cc3)C(=O)C2C2CCC[NH+]21,0
+CC1(C)CC(N(Cc2ccccc2)C(=S)Nc2ccc(F)cc2F)CC(C)(C)[NH2+]1,0
+CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)C(C)Oc1cc(C)c(Cl)c(C)c1,0
+CC1CCCC(C(=O)N2CCOC3CCCC32)C1[NH3+],0
+Cl.Cn1ncc(Cl)c1-c1cc(F)c(C(=O)NC2CNCCC2c2ccc(F)c(F)c2)c(Cl)c1,1
+NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,1
+CN(C(=O)CNNC1CCS(=O)(=O)C1)C1CCS(=O)(=O)C1,0
+CSc1cnc2c(ccc3cnccc32)c1O,1
+CCC([NH3+])C(c1cc(Br)cs1)N1CCCCC1CCO,0
+CC(NC(=O)CSC1NN=C(C2=c3ccccc3=[NH+]C2)N1C1CC1)c1ccc2c(c1)OCCO2,0
+Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3F)n2Cc2ccccc2)c1,0
+O=c1cc(Cn2c(C(F)(F)F)nc3ccccc32)nc2sc3c(n12)CCCC3,0
+C[NH2+]C(C)c1cc(Br)ccc1OC(C)C(=O)NC(C)(C)C,0
+CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,1
+CCOC(=O)C1=C(C[NH+]2CCNC(=O)C2)NC(=O)NC1CC,0
+Cc1ccc(C)c(NS(=O)(=O)Cc2cccc(C[NH3+])c2)c1,0
+CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C(O)=NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1,0
+O=C(NCc1cc[nH]n1)NCC1([NH+]2CCSCC2)CCCC1,0
+NC(=O)C[NH+]1CCCN(C(=O)c2cc3ccccc3cc2O)CC1,0
+CC[NH+](CC)CCCNC(=S)N(CC[NH+](C)C)Cc1cc2c(C)ccc(C)c2[nH]c1=O,0
+O=C(NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1)C(Cl)Cl,0
+CCN1c2ccc(C(=O)NNC(=O)CC3=c4ccccc4=[NH+]C3)cc2NC1C,0
+CC(O)c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+Cc1ccc(S(N)(=O)=O)cc1NC(C)C1CCC[NH+](C)C1,0
+CN1CC(Cn2cc(-c3ccc(F)c(C(F)(F)F)c3)nc2C2CCN(c3ncnc(N)c3C(N)=O)CC2)C1,1
+Cc1cc(C(=O)c2cc3c(cc2Cl)OCCO3)c(C)o1,0
+CC(C)C(C[NH+](C)C)Nc1cc(Cl)ccc1C(N)=S,0
+Nc1cccc(-c2cn(CC3CC4CC[NH+]3CC4C(=O)NCc3ccco3)nn2)c1,0
+CC1CCc2c(sc3nc(C[NH+](CCN4CCOCC4)CC(O)COC(C)(C)C)[nH]c(=O)c23)C1,0
+Cc1sc2nc3n(c(=O)c2c1C)CCC3=Cc1cc(Cl)c2c(c1)OCCCO2,0
+CCCCNC(=O)C(c1c(O)cc(O)cc1O)N(Cc1ccco1)C(=O)c1ccc(Cl)cc1,0
+CCOC(=O)C1(c2ccccc2)[NH2+]C(c2ccc(O)c(OC)c2)C2C(=O)N(c3ccccc3)C(=O)C21,0
+NC(NCCc1cc(Cl)cc(Cl)c1)=[NH+]CC1CCCO1,0
+Cc1cc(Br)ccc1NC(=O)NCc1cc[nH+]c(N(C)C)c1,0
+CC(C)[NH+]1CCc2c(sc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)c2C(N)=O)C1,0
+NC(=[NH+]CC1CCCO1)SCc1csc(Br)c1,0
+O=C(C=Cc1ccco1)Nc1ccc(C(=O)C=Cc2ccc(-c3ccccc3Cl)o2)cc1,0
+Cc1cc(C(N)=[NH2+])ccc1N(C)C(C)c1ccccc1Cl,0
+CC(=O)NCC1CCC[NH+](CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1,0
+O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NCC(c1cccs1)[NH+]1CCCC1,0
+c1ccc2c(c1)Nc1ncccc1-n1c(-c3ccc(CN4CCC(c5c[nH]c6ccccc56)CC4)cc3)nnc1-2,1
+OC(C[NH2+]CC(O)C1CCc2ccccc2O1)C1CCc2ccccc2O1,0
+CC(C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1,0
+COCCNC(=O)CC1c2nc(NC(=O)C(C)(C)C)sc2CC2C(C)(CO)C(O)CCC12C,0
+CCOc1ccc(N2C(=O)Nc3ccc(Br)cc3C2(O)C(=O)NCCC[NH+]2CCCC2)cc1,0
+COc1ccc(C(=O)OCC(=O)Nc2sccc2C(N)=O)cc1S(=O)(=O)Nc1ccc(C)cc1,0
+CN(C)c1ccc(C=C2Oc3c(ccc(O)c3CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2=O)cc1,0
+COc1c(Br)cc(Br)cc1C1NC(=[NH2+])Nc2nc3ccccc3n21,0
+Cc1ccc(S(=O)(=O)NCC(O)CN2CCCC3(CCN(c4ncnc(N)c4C4CC4)C3)C2)c(C)c1,1
+CC[NH+](CC(=O)Nc1ccc(NC(C)=O)cc1)C(C)C(=O)NC12CC3CC(CC(C3)C1)C2,0
+O=C(CSC1NC2SC3=C(CCCC3)C2C(=O)N1c1ccccc1)NN=CC1=c2ccccc2=[NH+]C1,0
+CCOc1ccc(NC2=C(Cl)C(=O)c3[nH]ncc3C2=O)cc1,1
+COc1cc(CC(N)C(=O)N2CCN(c3ncnc4ccccc34)CC2)cc(OC)c1,1
+Cc1c(-c2ccccc2)noc1C1CSCC(C(=O)NC(C)c2ccccc2)[NH2+]1,0
+O=C1C2C3C=CC(C3)C2C(=O)N1CC(=O)N1CCSc2ccccc21,0
+Cc1ccc(-c2csc(Cn3nc(CC4OCC(=O)O4)c4ccccc4c3=O)n2)cc1,1
+COc1ccc(C(Nc2cccc[nH+]2)c2c(NC(=O)c3ccco3)sc(C)c2C)c(OC)c1,0
+O=C(NC1CCCc2ccccc21)C1C[NH2+]CC1C(=O)NC1CCc2ccccc21,0
+NCC(Cc1ccncc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,1
+CNC(=O)NC(=O)C(C)SC1NN=C(C2=c3ccccc3=[NH+]C2)N1c1ccc(Cl)cc1,0
+CC(C)(C)c1cc(C2CSCC(C(=O)NCc3cccc(Cl)c3)[NH2+]2)cc(C(C)(C)C)c1O,0
+CC[NH+]1CCc2c(sc3c2C(O)=NC(c2ccc(O)c(OC)c2)N3)C1,0
+COc1ccccc1CNC(=O)C1C[NH2+]CC1C(=O)NC(C)CCc1ccccc1,0
+COCC1CCC[NH+]1CC1C[NH+]2CCC1CC2CNC(=S)Nc1ccc(-n2cccn2)cc1,0
+CCOC(=O)c1ccc([NH+]=c2oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccccc2F)cc1,0
+CNCCn1cc(-c2ccc(F)c(C)c2)nc1C1CCN(c2ncnc(N)c2C#N)CC1,1
+CSCCC([NH3+])C(=O)NC(C)C12CC3CC(CC(C3)C1)C2,0
+O=C1c2cccc3cccc(c23)C(=O)N1CCC[NH2+]CCCN1C(=O)c2cccc3cccc(c23)C1=O,0
+Cc1cc(C)cc(NC(=S)N(CCC2=c3cc(C)ccc3=[NH+]C2C)Cc2ccco2)c1,0
+CSC1=CC2CC3COP(=O)(S(=O)(=O)Oc4ccccc4)N[NH+]3CC2C=C1Cc1ccccc1,0
+NC(=O)C(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,1
+CCCCC(NC(N)=O)C(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1,0
+Cc1cccc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1F,1
+OCCOC1CC2C(Cl)C1[NH2+]C2(C(F)(F)F)C(F)(F)F,0
+Cc1cc(=O)[nH]c(SCC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)n1,0
+Cc1sc(CNC(N)=[NH+]CC2CCCO2)nc1-c1ccc(Cl)cc1,0
+CC(=O)NC1C(Oc2ccc(Cl)cc2)OC2COC(C)(C)OC2C1O,0
+COc1cccc(OCc2nnc(SCC(=O)Nc3ccccc3Sc3ccccc3)n2N)c1,0
+NC(Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3ccc(-c4cn[nH]c4)cc23)CC1,1
+CCOc1ccc(C2=NC(c3ccc(Cl)cc3)[NH2+]C(c3cc(Br)ccc3O)C2)cc1,0
+CCCCC(C)C(=O)N1CC(C(=O)NC2CCCCC2C)C2(CC[NH2+]CC2)C1,0
+C[NH+](CCC(=O)Nc1cccc(N)c1)Cc1csc(Br)c1,0
+[H]N=C1C(=Cc2ccc(-c3ccc(Cl)cc3)o2)C(=O)N=C2SC=NN21,0
+CCOc1cc(C[NH2+]C2CC2)cc(Br)c1OCCC(N)=O,0
+CCc1ccc(C2NC(=O)NC(CN3CCC(C(N)=O)([NH+]4CCCCC4)CC3)=C2C(=O)OC)cc1,0
+Cn1cc(S(=O)(=O)NC(C[NH+]2CCc3ccccc3C2)C(C)(C)C)cc1C(N)=O,0
+C#CC[NH2+]C1CC(c2ccc(F)cc2)N2C(C(=O)OC)Cc3c([nH]c4ccccc34)C2C1,0
+COCC[NH+]=C(N)NCC1(c2ccc(Br)cc2)CCOCC1,0
+CC1(N2C3CCCC2CC(=O)C3)CCS(=O)(=O)C1,0
+CC1Cc2c(NC(=O)CC3CCCCC3)nn(C)c2NC1=O,0
+C#CCNC(=O)C(C)Oc1ccc(Br)cc1C(C)[NH2+]CC,0
+CCC(=O)Nc1c(C)noc1C=Cc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)s1,0
+CC(C)CC([NH3+])C(=O)NC1CCCC(OCC(F)(F)F)C1,0
+CCCCCCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(CCCC)c2N2CC[NH+](C)CC2)SC1=S,0
+CCC1(O)C(C)C(c2ccc(N(C)C)cc2)[NH2+]C(c2ccc(N(C)C)cc2)C1C,0
+COC(=O)c1ccc([NH+]=c2oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccccc2F)cc1,0
+CCC(=O)Nc1ccc(C(C)NC(=O)NCC(O)C[NH+]2CCC(C)CC2)cc1,0
+CC1CCC[NH+](C(C)(C)CNC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)C1,0
+CCNC(=O)NC1(C(=O)NCC(C)[NH+]2CCC(C)CC2)CCCC1,0
+COc1cc(-c2[nH+]c3ccccn3c2NC(C)(C)CC(C)(C)C)ccc1OS(=O)(=O)C=Cc1ccccc1,0
+CCC(C)C(C)NS(=O)(=O)c1ccc(C#CC[NH3+])c(C)c1,0
+Cc1c(Cl)ccc2c1NC(=O)C21[NH2+]C(CC(N)=O)C2C(=O)N(CCc3ccccc3)C(=O)C21,0
+CC(=O)c1ccc(S(=O)(=O)N2CC[NH+](CC(=O)Nc3ccccc3Cc3ccccc3)CC2)cc1,0
+CC(c1ccc(Cl)cc1)[NH+](C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1,0
+Cc1cc(S(N)(=O)=O)cc(NC(=O)C[NH+](C)CCc2ccc(F)cc2)c1C,0
+CC[NH+]1CCC(NS(=O)(=O)c2c(N)cc(Br)cc2Br)CC1,0
+CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,1
+N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccsc3)cn2CCN2CCC2)CC1,1
+Cc1ccsc1C(=O)N1CC(C(=O)NC(C(=O)NC(C)(C)C)C(C)C)C2(CC[NH2+]CC2)C1,0
+CCC(C)C(NC(=O)C1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc2c(c1)OCCO2,0
+COC(=O)C1Cc2c([nH]c3ccccc23)C2CC([NH2+]Cc3cccs3)CC(C3CCCCC3)N12,0
+CC(=O)Nc1ccc(C)c(NC(=O)NCC(c2ccc(C)cc2)[NH+]2CCCC2)c1,0
+Cc1ccc(C(C)NC(=O)Nc2cccc(C[NH+]3CCCC3C(N)=O)c2)s1,0
+COc1ccc(C(CNC(=O)Nc2cc(NC(=O)C3CC3)ccc2C)[NH+](C)C)cc1,0
+CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2)sc2c1CC[NH+](CC)C2,0
+Cc1ccc(NC(=O)C(NC(=O)C2CCN(C(=O)C3CCC[NH2+]3)CC2)C(C)C)cc1,0
+CC1CCC2C(CCCN2C(=O)CN2C(=O)NC3(CCCCC3)C2=O)C1,0
+Nc1cc(Br)c(S(=O)(=O)NCC[NH+]2CCCC2)c(Br)c1,0
+NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccccc3-4)cc2)CC(O)(C2CC2)C1,1
+CNC(=O)Nc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1,1
+CC([NH3+])C(c1ccc(Cl)s1)N(C)Cc1csc(Br)c1,0
+CCn1nc(C)c(CNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)c1C,0
+Cc1ccc(CC(C)NC(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)c(C)c1,0
+CC1(C)OCC(CNC(=O)C2CN(C(=O)c3ccc(-c4ccccc4)o3)CC23CC[NH2+]CC3)O1,0
+Cc1cccc(NC(=O)CN2CC[NH+](C(C)C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)c1C,0
+Cc1ccc(-n2nc(C)cc2NC(=O)C[NH+]2CCNC(=O)C2)cc1,0
+Cc1cccc2cc(CN(CC[NH+](C)C)C(=S)NCCC[NH+](C)C)c(=O)[nH]c12,0
+OC(COC1CCCc2ccccc21)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1,0
+CC(C)CC[NH+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)CC(O)Cc1ccccc1,0
+CC1=C(C(=O)OC(C)C)C(c2ccc(NC(=O)Nc3ccc(C)cc3)cc2)NC(=S)N1C,0
+CC1(C)CC(NC(=O)Cc2csc(NC(=O)c3ccco3)n2)CC(C)(C)[NH2+]1,0
+CCN(CC)c1ccc(C=NNc2nc(SCC(=O)c3ccc(Br)cc3)n[nH]2)c(O)c1,0
+NC(=O)Cn1ccc(NC(=O)C=Cc2c(Cl)nc3ccccn23)n1,0
+Cc1nc2ccccc2n1C1CCN(Cc2ccc(-c3nc4ncnc(N)c4cc3-c3ccccc3)cc2)CC1,1
+Cc1ccc(NC(=O)NC(=O)C[NH+]2CCCC2c2ccsc2)c(C)c1,0
+CCC(N)C(c1cc(Br)cs1)[NH+](CCO)C1CCCCC1,0
+CNC(=O)C1CC(n2cc(C(C)(C)NC(=O)c3cccc(Cl)c3)nn2)C[NH2+]1,0
+CC(C)(C)NC(=[NH2+])Nc1ccc(Br)cc1Cl,0
+Fc1ccc2c(c1)C1(CCNCC1)CN2c1ncnc2[nH]ccc12,1
+OC1=Nc2ccccc2CCC1Sc1nc(C2CCCO2)n[nH]1,0
+Nc1ncnc(N2CCN(C(=O)C(N)Cc3ccc(Cl)cc3)CC2)c1Cl,1
+CC(C)NS(=O)(=O)c1cccc(CNC(=O)NCC2([NH+](C)C)CCCC2)c1,0
+CN(c1ccc(C(N)=[NH2+])cc1)c1nccs1,0
+CCCC[NH2+]C(C)C(O)c1ccc(-c2ccc(C(O)C(C)[NH2+]CCCC)cc2)cc1,0
+Cc1cc(C(=O)NC(CN)c2ccccc2)sc1-c1ccnc2[nH]ccc12,1
+CCC(C)Oc1ccc(C=NNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Br,0
+C=CCNC(=O)NC(=O)C(C)[NH+]1CCC(C(O)c2ccc(Cl)cc2)CC1,0
+O=C(NC(=S)Nc1cccc(S(=O)(=O)NC2=[NH+]CCC2)c1)c1ccc(Br)cc1,0
+NC(=S)[NH+]=Nc1c(O)n(Cc2ccccc2)c2ccccc12,0
+Cc1ccc2cc(C(c3nnnn3C(C)(C)C)[NH+](Cc3ccc(Cl)cc3)Cc3ccco3)c(=O)[nH]c2c1C,0
+O=C(CCCCC1SCC2NC(=O)NC21)NCC(c1c(F)cccc1Cl)[NH+]1CCCC1,0
+Cc1cc(O)c(C2[NH+]=NC=C2c2sc(C)nc2C)c(O)c1,0
+NC1(c2ccc(-c3nc4n(c3-c3ccsc3)COc3ccccc3-4)cc2)CCC1,1
+Cn1c(N)c(C(=O)C[NH+]2CCCC(C(=O)NC3CC3)C2)c(=O)n(C)c1=O,0
+CC(=O)Nc1cccc(NC(=O)C(C)[NH2+]C(C)c2ccc3c(c2)CCCC3)c1,0
+CC(C)([NH3+])C(=O)NC(CCC1CCCCC1)C(=O)N1CCC2(CC1)CS(=O)c1ccccc12,0
+CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccc(C(=O)NCCO)cc3-4)cc2)C1,1
+CCCCC(=O)N1CC(C(=O)NC(C)c2ccc(C)cc2)C2(CC[NH2+]CC2)C1,0
+Cc1cc(C)c2c(N)c(C(=O)OCC(=O)NC(c3ccc4c(c3)OCCO4)C(C)C)sc2[nH+]1,0
+OCC([NH2+]CC1CC1)c1cc(Br)c2c(c1)OCCO2,0
+CCCC(=O)Nc1cccc(NC(=O)NCc2ccc(N(CC)CC)[nH+]c2)c1C,0
+CC(C(=O)Nc1ccc(N)c(C(F)(F)F)c1)[NH+](C)C1CC1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2c(O)cccc21,1
+COc1ccc2c(c1)=[NH+]C(C(=O)NCCc1ccc(Cl)cc1)C=2Sc1ccccc1,0
+OCCNCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1,0
+Cc1c[nH]c2ncnc(N3CC4(CCNCC4)c4ccccc43)c12,1
+CCOC(=O)C1=C(C[NH+](C)CC(=O)Nc2ccccc2SC)NC(=O)NC1c1ccccc1,0
+CC(C(=O)NC(=O)NC1CC1)[NH+](C)CC(=O)NC(C)(C)C,0
+O=C(C[NH+](Cc1cccc(O)c1)C1CCC(O)CC1)Nc1ccccc1C(=O)NCc1ccco1,0
+COc1cc(Br)cc(C[NH2+]CC[NH2+]CC(C)O)c1OCc1ccccc1,0
+CC(Nc1nc(CC[NH3+])nc2ccccc12)c1ccccc1-n1cccn1,0
+Cc1ccc(NC(=O)NCCC[NH+]2CCc3ccccc3C2)c(C)c1,0
+CCc1ccccc1Nc1nc(N)nc(C[NH+]2CCCC2c2cc(OC)ccc2OC)n1,0
+Cn1ncc(Cl)c1-c1cc(C(=O)NC2CNCCC2c2ccc(F)c(F)c2)oc1Cl.O=C(O)C(O)C(O)C(=O)O,1
+CC(C)[NH+]1CCC(CNC(=O)NCCCc2cccc(Br)c2)C1,0
+CC[NH+](CC(=O)NCc1cccs1)CC(=O)NN1C(=O)NC(CC)(c2ccccc2)C1=O,0
+O=C(NCCC1=c2ccccc2=[NH+]C1)c1cc(S(=O)(=O)NC2CC2)ccc1Br,0
+CCNC(=O)C(C)[NH2+]CC(O)COc1ccc(C)cc1Br,0
+Cc1nc(N)nc2c1cc(-c1cnc3ccccc3c1)c(=O)n2C1CCC(OCO)CC1,1
+CC(Sc1nnc(C(C)[NH+](C)C)n1-c1ccc(F)cc1)C(=O)Nc1cccc(Br)c1,0
+Cc1cc(C)c(S(=O)(=O)NCC[NH+]2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c(C)c1,0
+Cc1cccc(NC(=O)c2ccccc2NC(=O)C[NH+]2CCCC(O)C2)c1,0
+CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)NC3(CCCCC3C)C2=O)c1C,0
+Cc1ccc(-c2nc3c(C)nc(N)nc3n(C3CCC(OCCO)CC3)c2=O)cn1,1
+COC(=O)c1ccccc1N(C)c1[nH+]cnc(N(Cc2ccccc2)Cc2ccccc2)c1N,0
+NCC(NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1,1
+COc1ccccc1CNC(=O)C[NH+]1C(C(N)=O)CC2CCCCC21,0
+NC(COc1cncc(-c2cc3c(Cl)n[nH]c3cn2)c1)Cc1cccc(C(F)(F)F)c1,1
+CCOc1cccc(C(C)NC(=O)Nc2ccccc2C[NH+]2CCSCC2)c1,0
+NS(=O)(=O)c1ccc(CC[NH2+]Cc2c(OCc3ccccc3F)ccc3ccccc23)cc1,0
+Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)cc1,0
+CC1(C(=O)N2CC(C(=O)NCCc3cccs3)C3(CC[NH2+]CC3)C2)CCCCC1,0
+COc1cc(C[NH2+]C2CCCc3sccc32)cc(Br)c1O,0
+C=Cc1n[nH]c2cnc(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12,1
+CCN(CC)c1ccc(C=NNc2nc(SCC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)n[nH]2)cc1,0
+Cc1cc[nH+]c(NC(c2cccc(F)c2)c2ccc3cccnc3c2O)c1,0
+Cl.NCc1ccc(-n2c(-c3cccnc3N)nc3cc(Br)cnc32)cc1,1
+O=C(NNC(=O)c1cnn(-c2ccccc2)c1-c1ccccc1)c1cnn(-c2ccccc2)c1-c1ccccc1,0
+COc1cc(CCNC(=O)C2CN(C(=O)c3cccc(Cl)c3Cl)CC23CC[NH2+]CC3)cc(OC)c1,0
+Fc1ccc(-c2cn3ccnc3nc2-c2ccc(CN3CCC(c4n[nH]c(-c5ccccn5)n4)CC3)cc2)cc1,1
+C=CC[NH2+]Cc1cc(Br)c(OCC(N)=O)c(OCC)c1,0
+COc1cc(NS(=O)(=O)c2c(C)cc(N3CCCCS3(=O)=O)cc2C)cc(OC)c1OC,0
+C[NH+](CC(=O)Nc1sccc1C(N)=O)Cc1csc(Br)c1,0
+NCC(NC(=O)c1cc(C2CC2)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1,1
+COc1ccc(C2=NN(C3=NNC([NH3+])=Cc4nncn43)C(O)(C(F)(F)F)C2)cc1,0
+CCOc1ccc(N2C(=O)Nc3ccc(Br)cc3C2(O)C(=O)NCCC[NH+](C)C)cc1,0
+CC1(C)CC([NH2+]Cc2cc3ccccc3[nH]2)C2CNN(c3ccc(F)cc3)C2C1,0
+Cc1nc2ccccc2n1C1CCN(Cc2ccc(-c3ncc(-c4nn[nH]n4)cc3-c3ccccc3)cc2)CC1,1
+CCCC[NH+]1CCCCC1CNC(=O)NCc1ccc(S(N)(=O)=O)s1,0
+COc1ccccc1NN(NCc1ccccc1)c1nc(-n2nc(C)cc2C)nc2sc(C)c(C)c12,0
+C#Cc1cccc(NC(=O)CNC(=O)NCC(O)c2ccc3ccccc3c2)c1,0
+NC(NCC1CCN(c2ccc(Br)cc2)C1)=[NH+]CC1CCCO1,0
+NS(=O)(=O)c1ccc(CCNc2nc(C[NH+]3CCOCC3)nc3sc4c(c23)CCCC4)cc1,0
+CC(NC1CC(C)(C)[NH2+]C(C)(C)C1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F,0
+NS(=O)(=O)c1cc(C(=O)NCCCc2ccc(Cl)c(Cl)c2)cs1,0
+CN1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC1,1
+O=C(CSc1n[nH]c(NN=Cc2ccccc2F)n1)N(c1ccccc1)c1ccccc1,0
+CN(c1ccccc1)c1nc[nH+]c(Nc2ccc(Cl)c(C(F)(F)F)c2)c1N,0
+Cc1ccc2cccc(NC(=O)C(=O)NCc3cn4c([nH+]3)CCCC4)c2n1,0
+O=C(CC1C(=O)NCC[NH+]1Cc1ccc(F)cc1)NCC1(O)CCCCC1,0
+COC(=O)C(CC(C)C)NC(=O)N1CCc2[nH]c[nH+]c2C1c1ccccc1OC(F)(F)F,0
+CC([NH2+]C(c1ccc(F)cc1)c1cccs1)C(=O)Nc1cc(F)ccc1F,0
+CCN(CC)c1ccc(CNC(=O)CCC2NC(=O)NC2=O)c[nH+]1,0
+Cc1ccc(C[NH+](Cc2ccc(C(N)=O)cc2)Cc2ccc(C(N)=O)cc2)cc1,0
+C=C(C)COc1ccc(C2(C)NC(=O)N(C(C)C[NH3+])C2=O)cc1,0
+O=C1NCCc2nc(-c3ccc(CN4CCC(c5nnc(-c6ccccn6)[nH]5)CC4)cc3)c(-c3ccccc3)cc21,1
+O=C(OC(C(=O)C1=c2ccccc2=[NH+]C1)c1ccccc1)c1nn(-c2ccccc2)c(=O)c2ccccc12,0
+Cc1ccc(N2N[NH2+]NC2SCC(=O)NC(CC2=c3ccccc3=[NH+]C2)C(=O)[O-])c(C)c1,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)c2ccc3ccccc3n2)CC12CC[NH2+]CC2,0
+CCC([NH3+])C(c1cc(Br)cs1)[NH+](C)CC(=O)N(CC)CC,0
+C[NH+](CCNS(=O)(=O)c1c(Br)cc(N)cc1Br)C1CC1,0
+Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(CCC[NH+](C)C)c3nc4c(F)cccc4s3)CC2)cc1,0
+CC(C)c1ccccc1NC(=S)NNC(=O)C[NH+](C)Cc1ccccc1,0
+CCC(C)CC(=O)N1CC(C(=O)NC(C)CCCC(C)(C)O)C2(CC[NH2+]CC2)C1,0
+N#Cc1cc(Cl)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+COc1cccc(C(CN)NC(=O)c2ccc(-c3ccncc3)cc2)c1,1
+CC(C)[NH2+]C(C)(CCCCSc1cccc(Br)c1)C(N)=O,0
+CC[NH+](CC)CCCC(C)NC(=O)c1ccc(NC2c3ccccc3C(=O)N2C(C)C)cc1,0
+Cc1ccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(Br)cc2)c(C)c1,0
+Nc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CN5CCC(n6cnc(-c7ccccn7)c6)CC5)cc4)nc3ccn12,1
+CC(C(=O)NC(=O)NCC(F)(F)F)[NH+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1,0
+CC[NH+]1CCCC1CNC(=O)C(C)C(N)=NO,0
+CC1[NH+]=c2ccc(OCc3ccccc3)cc2=C1CCNC(=O)c1cccc(Br)c1,0
+C[NH+](C)CC(C)(C)CNS(=O)(=O)c1c(Br)cc(N)cc1Br,0
+Nc1ncnc(N2CCC(c3nc(-c4cccc(C(F)(F)F)c4)cn3CCN3CCCC3)CC2)c1C1CCC1,1
+Cc1nc2nc(-c3ccc(CN4CCC(c5nc6ccc(F)cc6[nH]5)CC4)cc3)c(-c3ccccc3)cn2n1,1
+COc1cccc(C[NH+](Cc2ccc(C(O)(c3ccccc3)c3ccccc3)o2)CC(C)C)c1OC,0
+Cc1cc(OCC(N)=O)ccc1NC(=O)NCCCC[NH+]1CCCCC1C,0
+Cc1c[nH]c2ncnc(N3CCN(C(=O)C(N)Cc4ccc(Cl)cc4)CC3)c12,1
+NS(=O)(=O)c1ccc(CCNC(=O)C[NH+]2CCN(C(=O)c3cccs3)CC2)cc1,0
+C[NH+]1CCN(c2nc3c(c(Oc4ccccc4F)n2)CN(S(=O)(=O)c2ccc(Cl)cc2)CC3)CC1,0
+C[NH+](C)Cc1c(O)ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)oc12,0
+CC(C)C(Sc1nnc(N)s1)C(=O)[O-],0
+CC(Nc1cc2[nH]c(=O)[nH]c2cc1Br)C1CCC[NH+](C)C1,0
+COc1ccc(S(=O)(=O)NCCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)cc1,1
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4cccc(F)c4F)c3)cc12,1
+Nc1c(N(Cc2ccccc2)c2ccccn2)nc[nH+]c1Nc1cccnc1Cl,0
+COc1ccc(NC(=O)C2C3C(=O)N(c4ccc(OC(C)=O)cc4)C(=O)C3C3c4ccccc4C=C[NH+]23)cc1,0
+CC(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH+](C)CC(N)=O,0
+O=C(CNc1ccccc1[NH+]1CCC(O)CC1)Nc1cc(F)ccc1F,0
+O=C(NCC(c1ccc2c(c1)OCO2)[NH+]1CCCC1)c1ccc(=O)[nH]c1,0
+Cc1ccc(SCC(=O)NNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1,0
+CC(C)c1cccc(C(C)C)c1NC(=O)NCC(O)C[NH+]1CCCCC1,0
+CCOc1cc(C[NH2+]C2CCCc3c2cnn3-c2cccc(C)c2C)ccc1O,0
+CCc1ccc(C2CN3C(=O)CN(CCO)C(=O)C3(C)C3[NH+]=c4ccccc4=C23)cc1,0
+CC(O)C[NH2+]Cc1cc(Br)ccc1OCC(=O)NC(C)(C)C,0
+O=C(CNc1ccccc1[NH+]1CCC(O)CC1)Nc1ccc(OC(F)(F)F)cc1,0
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(C(N)=O)CC4)cc3)nc2n1,1
+CC1(C)OC2OC(COCC(O)CN3CCN(c4cccc(Cl)n4)CC3)C3OC(C)(C)OC3C2O1,0
+Cc1cn(-c2ccc(N(C)C)cc2)c(=O)c(C#N)c1C,0
+O=C(CC1CCCC1)N1CC(C[NH+]2CCN(c3ccccc3)CC2)C(c2cccc(C(F)(F)F)c2)C1,0
+[NH3+]CC1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C1,0
+COc1cc(C[NH2+]CCNCCO)cc(Br)c1OCc1ccc(F)cc1Cl,0
+CC1CCCN(S(=O)(=O)c2ccc(NC(=O)CSc3nnc(-c4ccc(Cl)cc4)n3N)cc2)C1,0
+CCC([NH3+])(CC)c1cn(CC2CCCN(C(=O)Nc3ccsc3)C2)nn1,0
+CNC(=O)Cc1ccccc1NC(=O)NC(C)C[NH+]1CC(C)CC(C)C1,0
+Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=S)NC(=O)c1cccc(Cl)c1,0
+CC1CC(C)C[NH+](CCNC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1,0
+Nc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12,1
+CC(CNC(C(N)=O)c1ccc(F)cc1)[NH+]1CCc2ccccc2C1,0
+O=C(CNC(=O)c1cccc(Cl)c1)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1,0
+C#CC[NH+](C)CC1C[NH+]2CCC1CC2CNC(=S)Nc1ccccc1,0
+Cc1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c(Br)c1,0
+CC[NH+](CC)C(C)C(=O)NNC(=O)C(O)(c1cccc(C)c1)c1cccc(C)c1,0
+Cc1cccc(NC(=O)c2cc3ccc(O)cc3oc2=[NH+]c2ccc(C(F)(F)F)cc2)n1,0
+NC1(c2ccc(-c3nc4ccc(-c5cccnc5)cn4c3-c3ccccc3)cc2)CCC1,1
+NC1(C(=O)NCc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,1
+CC(C)CC(CO)NC(=O)CC1c2nc(NC(=O)C(C)(C)C)sc2CC2C(C)(CO)C(O)CCC12C,0
+Cc1cc(Nc2[nH+]cnc(N3CCN(CCO)CC3)c2N)no1,0
+CC(C)CCCC1(C)CCc2cc(O)cc(C(F)(F)F)c2O1,1
+CC1CCCCC1CNS(=O)(=O)Cc1ccccc1C[NH3+],0
+NC1=[NH+]C(c2cccc(Cl)c2Cl)NC(SCC(=O)N2c3ccccc3CCc3ccccc32)=N1,0
+Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,1
+CC(C)C1Nc2ccc(C(=O)NCCC3=c4cc(Cl)ccc4=[NH+]C3)cc2O1,0
+CC([NH3+])C(c1ccc(Br)cc1)N1CCOCC1(C)C,0
+COc1ccc(-c2cc3c(C)nc(N)nc3n(C3CCC(OCC(N)=O)CC3)c2=O)cn1,1
+CCOc1ccccc1N1CC[NH+](CC(=O)Nc2sc(C(N)=O)c(C)c2C(=O)OC(C)C)CC1,0
+COc1cc(C2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc(OC)c1OC,0
+CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)C2c1ccc(Cl)c(Cl)c1,0
+Cc1ncc(-c2c(N)ncnc2N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3C)CC2)s1,1
+O=C1C(=Cc2ccccn2)CNCC1=Cc1ccccn1,1
+NC(=[NH2+])c1ccc(Cl)cc1Oc1ccc([N+](=O)[O-])c(F)c1,0
+CCOc1cccc2c1-c1nc(-c3ccc(C4(N)CC(O)(C5CC5)C4)cc3)c(-c3ccccc3)n1CO2,1
+NS(=O)(=O)c1ccc(CCNC(=O)C2CCCCC2C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1,0
+CCCC[NH+]1CCCCC1CNC(=O)NCCC1C(=O)Nc2ccccc21,0
+Nc1ccc(S(=O)(=O)NCC2CC[NH+](C3CC3)C2)c(Br)c1,0
+COc1cc(OC)cc(C2[NH2+]CCc3nc[nH]c32)c1,0
+Cc1ccc2c(c1)=[NH+]C(SCC1C(C(=O)[O-])N=NN1c1nonc1N)[NH+]=2,0
+CCC([NH3+])C(c1ccccc1Cl)N1CCC(OC)CC1,0
+CC(NS(=O)(=O)c1ccc(NC(=S)NN2CC[NH+](C)CC2)cc1)c1ccccc1,0
+COc1cc(CNC(=O)C[NH+](C)CC(=O)Nc2ccccc2C(F)(F)F)cc(OC)c1OC,0
+[NH3+]C1CCCCCC1NS(=O)(=O)c1ccc(Cl)cc1F,0
+Cc1nn(CC(C)C)c(C)c1NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1,0
+CCCCC([NH3+])c1nc2cc(Br)ccc2n1C(C)C,0
+Cc1ccc(C)c(N(CC2C=c3ccccc3=[NH+]C2=O)C(=O)c2ccccc2Br)c1,0
+CCOC(=O)C1CCC(CNC(=O)N2CCC3=c4ccccc4=[NH+]C3C2c2ccc(OC)cc2)CC1,0
+COCCN(C(=O)C[NH+]1CCN(C(=O)c2cccs2)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,0
+CC[NH+]1CCN(CC(O)COc2ccc(C[NH2+]C3CCCC3)cc2OC)CC1,0
+CC1Cc2c(ccc(F)c2F)N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)[nH]1,1
+CCC([NH3+])C(Sc1nncs1)c1cc(Br)cs1,0
+COc1cccc2cc(C(=O)Nc3ccc(F)cc3)c(=[NH+]c3ccc(S(N)(=O)=O)cc3)oc12,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4cccc(C(F)(F)F)c4)c3)cc12,1
+COc1ccc(C[NH+]2CCNC(=O)C2CC(=O)NC23CC4CC(CC(C4)C2)C3)cc1C,0
+COc1ccccc1-c1cc(O)c2ccc(=[NH+]C(=O)c3cc4cc(Br)ccc4o3)cc-2o1,0
+CC1(CCCc2ccc(NCCBr)cc2)[NH+]=C(N)N=C(N)N1c1ccccc1,0
+Cc1ccc(C2SCC3C(=O)N(c4cnn(C)c4C)C(=S)N32)cc1,0
+NCCC(C(=O)Nc1ccc2[nH]ncc2c1)c1ccc(Cl)c(Cl)c1,1
+CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)cc1,0
+COc1ccc2cc(C(=O)Nc3ccc(C)c(C)c3)c(=[NH+]NS(=O)(=O)c3ccc(C)cc3)oc2c1,0
+O=C(CCn1nc([O-])ccc1=O)NC12CC3CC(CC(C3)C1)C2,0
+CC1c2ccsc2CC[NH+]1CC(=O)Nc1sc2c(c1C(N)=O)CCC2,0
+Cc1n[nH]c2ccc(-c3nnc(NCC(N)Cc4ccccc4F)s3)cc12,1
+CC1CCCC(C)C12NC(=O)N(CC1CC[NH2+]CC1)C2=O,0
+NS(=O)(=O)c1ccc(-c2cc3ccncc3cc2OC2CCNCC2)cc1,1
+Cc1ccc2oc(-c3nc(C([NH3+])C4CC4)no3)cc2c1,0
+COC(=O)c1cc(F)ccc1NC(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+O=CCn1cnc2sc3c(c2c1=O)CCCC3,0
+Cc1ccccc1C1c2ccsc2CC[NH+]1C(C)C(=O)N1CCN(C(=O)c2ccc3ccccc3c2)CC1,0
+CCCc1ccc(C(NC(=O)C[NH+](C)CC(N)=O)c2cccs2)cc1,0
+CC1CCCC(NC(=O)C(C)[NH+]2CCC(NC(=O)CC3CCCC3)CC2)C1C,0
+CC1CCC[NH+](C(C)(C)CNC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1,0
+OCCC[NH2+]CC(O)CN1c2ccccc2Sc2ccccc21,0
+CCCn1c(N)c(C(=O)C[NH+](C)Cc2ccc(C)cc2C)c(=O)[nH]c1=O,0
+COc1ccc(C(C)=NNc2nnc(SCC(=O)Nc3ccc(F)cc3F)n2N)cc1,0
+COc1cc(NC(=O)Nc2cccc(C3C=c4cc(Cl)ccc4=[NH+]3)c2)cc(OC)c1OC,0
+Cc1ccc2c(c1)C(O)CC1(CC[NH+](CC(O)c3ccc4c(c3)CCCC4)CC1)O2,0
+CC(NC(=O)NCCC[NH2+]C1CCCCC1)c1nc(-c2ccc(F)cc2)no1,0
+C[NH+]1CCC2(CC1)NC(=O)N(CCC(=O)NCC1CCCCC1)C2=O,0
+CCC(=O)Nc1ccc(C)c(NC(=O)NCC(c2ccco2)[NH+]2CCCCC2)c1,0
+Cc1ccc(C(=O)NC(=S)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)cc1[N+](=O)[O-],0
+CCOc1cccc(C2CC(c3cccc(OC)c3)=NC(c3ccc(C(=O)OC)cc3)[NH2+]2)c1O,0
+CC1Cc2cc(F)c(F)cc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)n1C,1
+CC(NC(=O)CCC1=c2ccccc2=[NH+]C1)c1ccc(S(N)(=O)=O)cc1,0
+CC(c1cc(F)ccc1F)N(C)C(=O)Nc1ccccc1SCC(N)=O,0
+CC(C)NC(=O)NC(=O)C(C)SC1NN=C(C2=c3ccccc3=[NH+]C2)N1C1CC1,0
+C[NH+](C)CCCNC(=O)Nc1sc2c(c1C(N)=O)CC(C)(C)OC2,0
+COc1ccc(O)c(C(=O)c2ccc(C(=O)NC3CCCNCC3NC(=O)c3ccncc3)cc2)c1F.Cl.Cl,1
+NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,1
+CCOc1cccc(C2NC(N)=[NH+]c3nc4cc5c(cc4n32)OCCCO5)c1OC(F)F,0
+Nc1cc(Cl)c(S(=O)(=O)NCC[NH+]2CCCCC2)c(Cl)c1,0
+CC(=O)Nc1ccc(-c2cncc(OCC(N)Cc3c[nH]c4ccccc34)c2)cc1,1
+CCC(C)NC(=O)CCNC(=O)Nc1ccc[nH+]c1N1CCCC1,0
+CC(NC(=O)COc1ccc2c(c1)CCC2)C(O)c1ccc(O)cc1,0
+COc1ccc2c(c1)C(=O)CC1(CCN(C(=O)C3CCC(OC)CC3)CC1)O2,0
+Cc1cc(C)c2cc(C(c3nnnn3C(C)(C)C)[NH+]3CCN(c4ccc(F)cc4)CC3)c(=O)[nH]c2c1,0
+O=C(CSc1nnnn1Cc1cccs1)Nc1cc2[nH]c(=O)[nH]c2cc1Br,0
+CCN(CC)c1ccc2cc(C(=O)Nc3ccccc3C)c(=[NH+]c3ccc(S(N)(=O)=O)cc3)oc2c1,0
+CC(C)CNCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,1
+CC([NH2+]Cc1ccc(Br)cc1)c1cccc(S(N)(=O)=O)c1,0
+CCCNC(=O)NC(C)(C)C(=O)NCC(CC)[NH+]1CCc2ccccc2C1,0
+CC[NH+]1CCCC1CNC(=O)C1CN(C(=O)c2ccc(-c3ccccc3)o2)CC12CC[NH2+]CC2,0
+COc1ccc2c(c1)=[NH+]C(SCC(=O)Nc1ccc(O)c(C(=O)[O-])c1)[NH+]=2,0
+CCCC(C)([NH3+])C(=O)Nc1c(Br)cc(C)cc1Br,0
+NC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2C2CCNC2)CC1,1
+COCCN1C(=O)C2C(CCC(N)=O)[NH2+]C3(C(=O)Nc4c(C)cccc43)C2C1=O,0
+CCC([NH3+])C(c1cc(Br)cs1)[NH+](C)CC(O)COC,0
+Nc1c(N(Cc2ccccc2)c2ccccn2)nc[nH+]c1Nc1ccc(Cl)cn1,0
+CCCC[NH+](CCCC)CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C,0
+O=C(NNC(=S)Nc1ccc(Cl)cc1)C(O)(c1ccccc1)c1ccccc1,1
+CC1CCC2(CC1)NC(=O)N(NC(=O)C[NH+]1CCN(Cc3ccc(Br)s3)CC1)C2=O,0
+N#CC(c1ccc2c(c1)OCO2)N1CCN(C(=O)c2ccccc2Cl)CC1,0
+Cl.Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(C2(N)CCC2)cc1,1
+CCC[NH+](CC(=O)Nc1ccccc1C(N)=O)C1CCc2ccccc2C1,0
+Cc1cc(-c2ccc3c(c2)nn2cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nc32)[nH]n1,1
+CCC(C)[NH+](CC)C(C)C(=O)Nc1c(Cl)cc(N)cc1Cl,0
+COc1cccc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1,1
+CCC[NH+](CC(=O)NC(=O)NC(C)(C)C)CC(=O)Nc1ccc(F)c(F)c1F,0
+CC1(C)CC(NC(=S)Nc2ccccc2F)CC(C)(CNC(=S)Nc2ccccc2F)C1,0
+CCCc1ccc(C([NH2+]CC2=C(C(=O)OCC)CNC(=O)N2)C(C)C)cc1,0
+CCc1c(-c2ccc(C(C)(C)O)cc2)[nH]c2nccnc12,1
+CCCC1C(c2ccccc2)[NH2+]C(c2ccccc2)CC1(O)c1ccc(F)cc1,0
+COc1ccc(CCNC(=[NH2+])NCC2(c3ccc(OC)cc3)CCOCC2)cc1,0
+CC1(O)CC(O)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccc(C(=O)O)cc3-4)cc2)C1,1
+COc1ccc(CNC(=O)CCC(=O)NNC(=O)C2C=c3cc(Oc4ccccc4)ccc3=[NH+]2)cc1,0
+O=C(C[NH2+]CC1CCCO1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1,0
+NC(CNc1ncc(-c2ccc3c(c2)CC(=O)N3)s1)Cc1ccc(C(F)(F)F)cc1,1
+OCC(O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1,0
+CCCC12CN3CC(CCC)(C[NH+](C1)C3c1cc(Br)ccc1O)C2O,0
+CCOC(=O)c1cccc([NH+]=c2oc3cc(O)ccc3cc2C(=O)Nc2cccc(C)n2)c1,0
+CC1(C)CC(NC(=S)NCCSc2ccc(Cl)cc2)CC(C)(C)[NH2+]1,0
+COc1ccc(C=C2N=C(SCC(=O)NC(N)=O)N(c3ccc(OC(F)F)cc3)C2=O)cc1,0
+CC1(C)CC(NC(=S)N(CCN2CCOCC2)Cc2ccccc2F)CC(C)(C)[NH2+]1,0
+NC(=O)C1CCC[NH+]1Cc1cccc(NC(=O)CC23CC4CC(CC(Br)(C4)C2)C3)c1,0
+COc1cccc(C2[NH+]=NC(=S)N2N=Cc2cc(Br)cc(Br)c2O)c1,0
+COc1ccc2c(c1)=C(CCNC(=O)C1NN(c3ccccc3)NC1C)C[NH+]=2,0
+CN(C)c1cccc2c(S(=O)(=O)N(CCN)c3cncc(-c4ccc5cnccc5c4)c3)cccc12,1
+CCC(C)NC(=O)C(C)NC(=O)Nc1ccccc1C[NH+](C)C1CCCCC1,0
+NC1(c2ccc(-n3c(C4CC4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1,1
+COc1ccc(CNC(=O)C(NC(=O)C2C=c3ccc(OC)cc3=[NH+]2)c2ccccc2)cc1,0
+OCCN1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ncccn7)[nH]6)CC5)cc4)nc3n2)CC1,1
+CCC(C)C(=O)N1CC(C(=O)NC(C)CCCC(C)(C)O)C2(CC[NH2+]CC2)C1,0
+CC(=O)Nc1cc(NC(=O)NCCC[NH+]2CC(C)CC(C)C2)c(F)cc1F,0
+CCC(CC(N)=[NH2+])Oc1ccc(Cl)cc1Br,0
+Cc1ccc2c(c1)=C(CCNc1nnc(-c3ccc(Cl)cc3)c(=O)n1N)C[NH+]=2,0
+O=C(NCC(c1cccs1)[NH+]1CCCC1)Nc1cccc(Cl)c1F,0
+Nc1ccc(NC(=O)C[NH+]2CCCCC2CCO)c(Br)c1,0
+CCCC(C#N)NC(=O)c1ccc2c([O-])n(C)c(=S)nc2c1,0
+Cc1cc(S(N)(=O)=O)cc(NC(=O)C[NH2+]C(c2cccs2)C(C)C)c1C,0
+CSN1C(=O)c2cc(C)nc(Cl)c2C1=O,0
+CCCn1c(=O)[nH]c([O-])c(C2C3[NH+]=c4ccccc4=C3CC[NH+]2C)c1=O,0
+O=C(C1CCC(=O)N1c1ccccc1)N1CCC(c2ccc3c(c2)OCO3)C1,0
+Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)C=Cc4ccc([N+](=O)[O-])cc4)cc3)sc2c1,0
+Cc1ccsc1C[NH+](C)C(C)C(=O)NC(C)c1ccc(S(N)(=O)=O)cc1,0
+NS(=O)(=O)c1cccc(NC(=O)C[NH+](C2CCCCC2)C2CC2)c1,0
+[NH3+]CC1(C(=O)N2CCCC3CCCCC32)CCOCC1,0
+Cc1cc(C)nc(NC(=NC(=O)Nc2ccc(Cl)cc2)NCCC2=c3cc(Cl)ccc3=[NH+]C2)n1,0
+O=C(C1=c2ccccc2=[NH+]C1)C(SC1NN=C(NCc2ccccc2)S1)c1ccccc1,0
+Nc1nc(COC(=O)C2=c3ccccc3=[NH+]C(=O)C2)nc(Nc2ccccc2)n1,0
+Cc1ccc2c(N3CCN(C(=O)C(N)Cc4ccc(Cl)cc4)CC3)ncnc2c1,1
+Cc1ccc(C(CNC(=O)C(=O)Nc2cccc(Cl)c2C)[NH+](C)C)cc1,0
+CC[NH+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)Cc1cccs1,0
+CC(c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC(=O)NCCc1ccccc1,0
+CCCCNC(=O)C1CN(C(=O)C(C)CCC)CC12CC[NH2+]CC2,0
+Oc1ccccc1NCC(c1ccc(-c2ccccc2O)cc1)N1CC[NH2+]C(O)C1,0
+CC(C)NC(c1ccc(Cl)cc1)c1ccc(-c2ccncc2)cc1,1
+NCC(NCc1ccc(-c2ccnc3[nH]ccc23)s1)c1ccccc1,1
+NC(=O)CSc1ccccc1NC(=O)C[NH+]1CCc2ccccc2C1,0
+CC(=O)NC1Nc2ccc(C(=O)NCCC3=c4cc(F)ccc4=[NH+]C3)cc2S1,0
+CCCCNC(=S)NCC(C1=c2ccccc2=[NH+]C1)C1CC=CS1,0
+CCc1cc(C(Nc2cccc[nH+]2)c2ccccc2OC)c(NC(=O)c2ccco2)s1,0
+O=C(CSC1=NC2[NH+]=c3ccc(F)cc3=C2N=N1)Nc1ccccc1Br,0
+Cc1sc(NC(=O)N2CCC[NH+](C)CC2)c(C(=O)[O-])c1C,0
+CC(C)c1cccc(C(C)C)c1NC(=O)C[NH2+]C(C)c1cccc(Cl)c1,0
+CNC(=O)NC(=O)C(C)OC(=O)CC1C=CS(=O)(=O)C1,0
+Cc1ccc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4C#N)CC3)n2)cc1C(F)(F)F,1
+C[NH+](C)C(CNC(=O)NNC(=O)Cc1ccc(Cl)cc1)c1ccsc1,0
+Cc1c(N2C3CCC2CC([NH3+])C3)cccc1[N+](=O)[O-],0
+Nn1cnc2c(c(-c3ccccc3)cn2-c2ccc(Cl)cc2)c1=[NH2+],0
+Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2C(C)(C)COC3c2ccccc2)cc1,0
+O=C(NCc1ccccc1Sc1ccccc1CO)C1CN(C(=O)CCC2CCCC2)CC12CC[NH2+]CC2,0
+NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2sc3ccccc3c2Cl)cc1,0
+Cc1ccc(-c2nc(CCNC(N)=[NH+]CC3CCCO3)cs2)cc1,0
+CCOc1ccc(CCNC(=O)C2CN(C(=O)c3ccc(-c4ccc(F)cc4)o3)CC23CC[NH2+]CC3)cc1,0
+O=C1NCC(CCC(=O)N2CCCC2)[NH+]2CC([NH2+]Cc3cccc(Cl)c3)CC12,0
+Cl.Cl.NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1,1
+OC(C[NH2+]CC(C1=c2ccccc2=[NH+]C1)c1ccccc1)COc1ccccc1F,0
+CC1CCC[NH+](C(C)CNC(=O)NCc2ccc(S(N)(=O)=O)cc2)C1,0
+C=CCNC(=O)OC1CCC2(C)C(CC(=O)NCc3cc(F)cc(F)c3)C(O)CCC2C1(C)CO,0
+COc1ccc(CC[NH2+]C2CCc3c(sc4ncn(CC5CCCCC5)c(=O)c34)C2)cc1OC,0
+CCN1CCC(N(C)C(C[NH3+])c2ccc(Br)o2)CC1,0
+Nc1cccc(CCC(=O)Nc2ccccc2C(=O)NCc2ccco2)c1,0
+CC([NH3+])(C(=O)NC1CCCC(OCC(F)(F)F)C1)C1CC1,0
+CC(C(=O)Nc1ccc(N)cc1Cl)[NH+]1CCCCCCC1,0
+Cc1c(C(=O)OC(C)C)sc2nc(Cl)nc(NCC[NH3+])c12,0
+O=C(NCC[NH+]1CCCCC1)C1Cc2cc(C(F)(F)F)ccc2N2CCN(c3ccc(F)cc3)CC12,0
+Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=S)NCCC[NH+](C)C)cc2c1,0
+CC[NH+]1CC(=Cc2ccccc2Cl)C2=C(C1)C(c1ccccc1Cl)C(C#N)=C(N)O2,0
+NC(=[NH2+])c1ccc(OCCSc2ccc(F)cc2F)cc1,0
+CCC(C)c1ccc(-n2c(SCC(=O)NC(=O)NC(C)C)nc3ccccc3c2=O)cc1,0
+Cc1cc(Br)ccc1NC(=O)C[NH+](C)CC(=O)NC(C)c1ccc2c(c1)OCCO2,0
+Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(Cl)c(C(F)(F)F)c1)=[NH+]C(=O)C(=O)[NH+]=2,0
+O=C1NC(=O)C2(CCC(C(=O)NC3CC[NH+](C4CCCCCC4)C3)CC2)N1,0
+CC[NH+](CC)C(C[NH3+])c1cc(Cl)cc(Br)c1[O-],0
+Cc1ccsc1C1C(C#N)=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C1C(=O)CC(C)(C)C2,0
+NC(=O)C1CCC[NH+]1Cc1cccc(NC(=O)c2cccc3c2OCCO3)c1,0
+COC1(C)CN(c2cnc(C(=O)Nc3csc(-c4nncn4C4CC4)n3)cc2-n2cnc(C3CC3)c2)C1,1
+CC([NH2+]CCCCCC[NH2+]C(C)C1COc2ccccc2O1)C1COc2ccccc2O1,0
+CCC(C)C(=O)N1CC(C(=O)NC(C(=O)NC(C)(C)C)C(C)C)C2(CC[NH2+]CC2)C1,0
+NC(=S)c1ccc(C[NH+](CCO)Cc2ccccc2)cc1,0
+CC(C)([NH2+]C(c1ccco1)c1ccc(Cl)s1)C(N)=O,0
+O=C1CC2OC(c3ccsc3)C3=C(C(=O)c4ccccc4C3=O)C2O1,1
+NC1(c2ccc(-c3nc4ccc(C(=O)NCCO)cn4c3-c3ccccc3)cc2)CCC1,1
+NS(=O)(=O)c1ccc(CCNC(=O)C[NH+]2CCCC2c2ccsc2)cc1,0
+CCNC(=O)NC(=O)C(C)[NH2+]CCCN(CC)S(C)(=O)=O,0
+O=C(C[NH+](Cc1cccs1)CC1CCCO1)Nc1cc2[nH]c(=O)[nH]c2cc1Br,0
+O=C(NCC1CCCO1)C1C[NH2+]CC1C(=O)NCC(c1ccccc1)c1ccccc1,0
+Cc1cccc(NC(=O)NC(=O)CN2CC[NH+](CC(=O)NC(=O)Nc3cccc(C)c3C)CC2)c1C,0
+CC1(C)CN(Cc2ccc(C(N)=[NH2+])cc2)CCO1,0
+CC(CC1=c2ccccc2=[NH+]C1)NC(=O)c1ccc2[nH]c(C(F)(F)F)nc2c1,0
+Cc1cc(C)cc(NC(=S)NCc2ccc(S(C)(=O)=O)cc2)c1,0
+C[NH+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C1CCc2ccccc21,0
+CC(C)(C)NC(=[NH2+])Nc1ccccc1I,0
+Cc1c(C(=O)N2CCCC3CCCCC32)sc2nc3n(c(=O)c12)CCCCC3,0
+CC(C)(C)NC(=O)N1CC[NH+](CCN(CC2=CCC3CC2C3(C)C)C(=O)Nc2ccc(Cl)cc2)CC1,0
+CSC1C[NH+](C(CNc2ccccc2O)c2ccc(S(=O)(=O)C(C)C)cc2)CCN1,0
+CC1CCCCC12NC(=O)N(CC(=O)NCC1([NH+](C)C)CCCCC1)C2=O,0
+CCOC(=O)c1c(NC(=O)CSc2nc3ccc(OC)cc3[nH]2)sc2c1CC(C)(C)[NH2+]C2(C)C,0
+CCOCC(O)C[NH+](Cc1nc2scc(-c3ccc(OC)cc3)c2c(=O)[nH]1)CC(C)C,0
+CCc1c(C)sc2nc(N3CC[NH+](CC(=O)N4CCCCC4)CC3)n(Cc3cc(C)ccc3C)c(=O)c12,0
+CNC(=O)NC(=O)C(C)[NH2+]C1CCCCC1O,0
+CC(C)C(CNC(C(N)=O)c1ccc(F)cc1)[NH+]1CCc2ccccc2C1,0
+C[NH+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1ccc(F)c(F)c1F,0
+Cc1ccc(CNC(=O)Nc2ccc(C3C=c4cc(Cl)ccc4=[NH+]3)cc2)cc1,0
+C[NH+](C)Cc1ccccc1CNC(=O)NCC1(O)CCCc2ccccc21,0
+CCc1ccc(C2=NC(c3ccc(Cl)cc3)[NH2+]C(c3ccccc3O)C2)cc1,0
+COc1ccc(C(CNC(=O)N2CCOC(C(N)=O)C2)[NH+]2CCCCC2)cc1,0
+CC([NH2+]C(c1ccccc1)c1ccco1)C(=O)NC(=O)NCc1cccs1,0
+Cc1cc(C(=O)Nc2sc3c(c2C(N)=O)CC[NH+](C(C)C)C3)n(C(C)C)n1,0
+CC[NH+](CC(=O)NN1C(=O)NC(C)(CCc2ccccc2)C1=O)C(C)c1cccc(OC)c1,0
+CC1CCc2c(sc(NC(=O)CSc3nc4sc5c(c4c(=O)[nH]3)CCCC5)c2C(N)=O)C1,0
+[NH3+]CC1(C(=O)NC2CCOCC2)CCCCC1,0
+Cc1ccc(NC(=O)NC(=O)C(C)[NH2+]CC2(N3CCOCC3)CCCCC2)c(C)c1,0
+CCCCN(C(=O)C[NH+](CC1CCCCC1)C1CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,0
+CC(C)NS(=O)(=O)NCC(C)(O)c1ccc(Br)cc1,0
+O=C1C2=C(C(c3ccccc3)=[NH+]CCN2)C(c2cccc([N+](=O)[O-])c2)N1c1ccccc1,0
+CC1Cc2cc(F)ccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+CCOc1ccc(-c2nnc(SCC(=O)NN3C(=O)NC(CC)(c4ccccc4)C3=O)n2N)cc1,0
+COCC(C)NC(=S)NCC(C1=c2ccccc2=[NH+]C1)c1ccccc1Cl,0
+C=Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN(C)C)CC1,1
+O=C(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1cccnc1,1
+NC(=O)CN1CCCC([NH2+]Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)C1,0
+CC([NH2+]C(c1ccc2c(c1)OCCO2)C(C)C)C(=O)Nc1ccc(Br)cc1F,0
+NCC(NC(=O)c1cc(-c2cccnc2)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1,1
+CC1(C)CC(NC(=O)C2CC(=O)N(CCc3ccccc3)C2)CC(C)(C)[NH2+]1,0
+CC(C)(C)CC(=O)Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,1
+C#CC1=C(N)Oc2cc(C)oc(=O)c2C1c1ccc(OC)cc1OC,0
+CCCC(C)NC(=O)C1CCC[NH+](C(C)C(=O)Nc2ccc(Cl)cc2F)C1,0
+CCOC(=O)C1C(c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2OC1(C)[NH+]1CCCC1)OCO3,0
+Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C=CC(=O)Nc1cccc(S(N)(=O)=O)c1,0
+Cc1nc2nc(N)nn2c(C)c1CC(=O)Nc1ccc(N(C)C)[nH+]c1,0
+COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(S(=O)(=O)NC3=[NH+]CCC3)c2)cc1,0
+NC1(c2ccc(-n3c(-c4ccccn4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1,1
+CCCCCNC(=O)C1C[NH2+]CC1C(=O)NC(C)CCc1ccccc1,0
+CC1COCCN1c1nc(N2CCOCC2C)c2ccc(-c3cccc(NS(=O)(=O)C(C)C)c3)nc2n1,1
+O=C1[NH+]=c2ccccc2=[NH+]C1C(=NNc1cccc(F)c1)C(O)C(O)CO,0
+CCn1c(C(C)[NH+]2CCN(C(=O)Nc3cccc(Br)c3)CC2)nc2ccc(Cl)cc2c1=O,0
+COc1ccc(OC)c(C2CCC[NH+]2CC(=O)Nc2sc3c(c2C(N)=O)CCC3)c1,0
+COc1ccc2[nH]c(CNC(=O)CC3C(=O)NCC[NH+]3C3Cc4ccccc4C3)cc2c1,0
+CCCCCCC(=O)N1CC(C(=O)NCc2cc(OC)c(OC)c(OC)c2)C2(CC[NH2+]CC2)C1,0
+CSNCC(c1ccc(Cc2ccccc2)cc1)[NH+]1CCNC(SC)C1,0
+CC([NH3+])c1ccc(NC(=O)N(C)Cc2csc(Br)c2)cc1,0
+CC(C1CCCO1)n1nnnc1-c1cc(N)ccc1Br,0
+C=CCNc1nc2c(s1)CC1C(C)(CO)C(O)CCC1(C)C2CC(=O)NCc1ccc(OC)cc1,0
+CC(C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1CC=C(c2ccc(O)cc2)CC1,0
+COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NCCC2=c3ccccc3=[NH+]C2)cc1,0
+NC(=O)C=Cc1cccc2c1nn1cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc21,1
+O=C1CC([NH+]2CCC(O)(c3ccc(Br)cc3)CC2)C(=O)N1c1ccc(F)cc1,0
+O=C(CC[NH+]1CCOCC1)NNC(=O)C(=Cc1ccccc1)NC(=O)c1ccccc1,0
+CCCNC(=O)N1CCc2cc(OC)c(OC)cc2C1C([NH3+])CC,0
+CC[NH+](CC)CCC[NH2+]C(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[O-],0
+CC(Sc1nnc(COc2ccc(C(C)C)cc2)n1N)C(=O)Nc1cccc(S(N)(=O)=O)c1,0
+O=C(CCC1NC(=O)c2ccccc2NC1=O)NCCC1=c2cc(Cl)ccc2=[NH+]C1,0
+CC1CN(C(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c2cccc(O)c21,1
+Cc1ccc(CC(=O)N2CC(C(=O)NCCNC(=O)OC(C)(C)C)C3(CC[NH2+]CC3)C2)cc1,0
+Nc1ncccc1-c1nc2cc(-c3ccccc3)cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,1
+CCN(c1ccccc1)c1[nH+]cnc(Nc2nc3ccc(C)cc3s2)c1N,0
+C=CCn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1ccccc1Cl,0
+NC(=O)c1cc2c(-c3cccc(F)c3)cncc2s1,1
+O=C(NCc1cccc(-n2cccc2)c1)C1CN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC12CC[NH2+]CC2,0
+Cc1ccc2c(c1)N(C(=O)C1CCN(C(=O)C(F)(F)F)CC1)CCO2,0
+Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)OC(C(=O)NC(N)=O)C(C)C)c2)c1,0
+NC(=O)CSc1ccccc1NC(=O)N1CCC([NH+]2CCCC2)CC1,0
+CC([NH2+]CC(=O)Nc1c(Cl)cccc1Cl)c1ccsc1,0
+CCNC(=O)c1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1,1
+CCOC(=O)c1c(NC(=O)c2ccc(OCC)cc2)sc2c1CC(C)(C)[NH2+]C2(C)C,0
+CC1(C)CC(Nc2ncnc(Nc3nc4ccccc4s3)c2[N+](=O)[O-])CC(C)(C)[NH2+]1,0
+CCC(C(=O)N1CC(C(=O)NC(C)CCCC(C)(C)O)C2(CC[NH2+]CC2)C1)c1ccccc1,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4ccc(OC(F)(F)F)cc4)c3)cc12,1
+Cc1ccc(C)c(N2CC[NH+](C(c3cc4c(C)cc(C)cc4[nH]c3=O)c3nnnn3C(C)(C)C)CC2)c1,0
+CCC[NH+]1Cc2cccc(NC(=O)C(=O)NCC3CCCCC3)c2C1,0
+CC(C(=O)Nc1ccc(N)cc1Cl)[NH+](C)C(C)C(C)(C)C,0
+CC(CN(C)Cc1ccc(F)c(Br)c1)C(N)=[NH2+],0
+CC(SC1NN=C(C2=c3ccccc3=[NH+]C2)N1C1CC1)C(=O)c1ccc(NS(C)(=O)=O)cc1,0
+CC(C)[NH+]1CCC(CNC(=O)NCc2ccc(Br)s2)C1,0
+O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4cc(-c5nn[nH]n5)ccc4nc3-c3ccccc3)cc2)CC1,1
+C[NH+](CC(=O)Nc1c(Cl)cccc1C(F)(F)F)Cc1cn(-c2ccccc2)nc1-c1ccccc1,0
+COc1ccccc1C(CNC(=O)NNC(=O)Nc1ccccc1C)[NH+](C)C,0
+CC(C)(C)NC(=O)COc1ccc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)cc1,0
+Cc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)NNC(=S)Nc4ccccc4C)cc3N2)cc1C,0
+Cc1cc(S(N)(=O)=O)cc(NC(=O)C[NH+](CCC(C)C)CCC(C)C)c1C,0
+CCC(O)(c1ccc(O)cc1)C(C[NH+]1CCCCC1)c1ccccc1,0
+NS(=O)(=O)c1cccc(NC(=O)COC(=O)CCCC2=c3ccccc3=[NH+]C2)c1,0
+Cc1cccc(NC(=O)C2=CC3=[NH+]C(C4CC4)CC(C(F)(F)F)N3N2)c1C,0
+N#CC1=C(N)OC2=c3ccccc3=[NH+]C(=O)C2C1c1ccc(O)cc1,0
+COc1cccc(C2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(C)cccc4C)ccc32)c1,0
+COc1cccc(NC(=O)N2CCOC(C[NH+]3CCCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)C2)c1,0
+Cn1c(CC(=O)Nc2ccc(F)c(Br)c2)nc(N2CCOCC2)cc1=O,1
+Cc1ccc(NC(=O)CSc2nnc(C(C)[NH+]3CCCCC3)n2-c2ccc(F)cc2)c(Cl)c1,0
+CC([NH2+]Cc1ccc(Br)s1)c1ccc(S(N)(=O)=O)cc1,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)CCC2CCCC2)CC12CC[NH2+]CC2,0
+CC(CNS(=O)(=O)c1cc(Cl)cc(N)c1Br)[NH+](C)C,0
+CCC1C(C(=O)NNC(=O)CC2=c3ccccc3=[NH+]C2)=CNN1c1ccc(OC)nn1,0
+C[NH+](CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)CC(=O)Nc1c(Cl)cccc1Cl,0
+NC(=NO)C1CCCC1NS(=O)(=O)c1cc(Cl)cc(Cl)c1,0
+Cc1ccc(CN(C(=S)Nc2cccc(Cl)c2C)C2CC(C)(C)[NH2+]C(C)(C)C2)o1,0
+CC[NH+]1CC2C(c3cc(F)ccc3OC)NC(CO)(CC(C)C)C2C1,0
+O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccc(F)c(C(F)(F)F)c1,1
+O=C(CN1CC[NH+](CC(=O)Nc2ccccc2Cl)CC1)NC(=O)NCCc1cccs1,0
+Cc1c(N2CC(=O)C(c3nc4ccccc4s3)=C2N)cccc1[N+](=O)[O-],0
+c1ccc(-c2cn3nc(C4CC4)nc3nc2-c2ccc(CN3CCC(c4cnc5ccccc5n4)CC3)cc2)cc1,1
+O=C1CC2c3ccccc3C1C1C(=O)N(c3ccccc3Cl)C(=O)C21,0
+CC[NH2+]C1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,0
+CC(C(=O)Nc1c(Cl)cc(N)cc1Cl)[NH+](C)C1CCSC1,0
+CSc1ccc(C2C3[NH+]=c4ccccc4=C3CCN2S(=O)(=O)c2cc(C)ccc2C)cc1,0
+CSC(=O)NC12CC3CC(C1)CC(C(=O)NC1CC(CO)[NH+](C)C1)(C3)C2,0
+CSCCC1[NH2+]C2(C(=O)Nc3c2ccc(Cl)c3C)C2C(=O)N(CCc3ccccc3)C(=O)C12,0
+NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccccc3c(=O)n2Cc2cccs2)cc1,0
+COC(=O)C1(CO)NC(c2nccs2)C2C(=O)N(C)C(=O)C21,0
+Cc1n[nH]c2nc(SCC(=O)NCc3ccco3)n(-c3ccc(Br)cc3)c(=[NH2+])c12,0
+COC(=O)c1cc(S(N)(=O)=O)ccc1NCCc1cn2ccccc2[nH+]1,0
+CCC[NH+]1CCC(C[NH3+])(N(C)Cc2cc(Br)cs2)CC1,0
+CCc1nnc(NN=Cc2cccc(Br)c2)n1N,0
+COC(=O)c1c(NC(=O)c2ccc(OC(C)C)cc2)sc2c1CC(C)(C)[NH2+]C2(C)C,0
+Cc1ccc2c(c1)=C(CCNC(=O)C1C=C(c3ccc(Cl)cc3)ON1)C[NH+]=2,0
+CC(=O)Nc1ccc(-n2c(-c3cccnc3N)nc3cccnc32)cc1,1
+CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc2s1,1
+Cc1cccc(C2CN(c3ccc(C(N)=O)c4ncncc34)CC2CO)c1,1
+CC(=NNC(=O)c1[nH+]c(Cl)c(Cl)c(N)c1Cl)c1ccc(-n2ccnc2)cc1,0
+CC(NC(=O)C1CC(O)C[NH2+]1)c1ccc(F)cc1,0
+O=C(c1cccc(C(F)(F)F)c1)N1CC(C[NH+]2CCCCC2)C(c2cccc(C(F)(F)F)c2)C1,0
+O=S(=O)(NC1CCCCC1[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(Cl)cc1,0
+Cc1cccc(CC(=O)Nc2sc3c(c2C(N)=O)CC[NH+](C(C)C)C3)c1,0
+CC([NH2+]C(C)c1ccccc1Cl)C(=O)Nc1sccc1C(N)=O,0
+NC(=O)C[NH+]1CCCC(NCc2ccccc2I)C1,0
+CCn1nc(C)c(Br)c1C(=O)N1CC(C(=O)NCC[NH+](CC)CC)C2(CC[NH2+]CC2)C1,0
+OC(C[NH2+]CC(O)C1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1,0
+CCOc1ccccc1CN(C(=S)Nc1cc(C)ccc1C)C1CC(C)(C)[NH2+]C(C)(C)C1,0
+COc1ccc2ccccc2c1CC(N)COc1cncc(-c2ccc3[nH]nc(C)c3c2)c1,1
+Brc1ccc(CNc2ccc(CC[NH2+]Cc3ccco3)cc2)cc1,0
+CN1CCN(c2nccc3nc(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)c(-c4ccccc4)cc23)CC1,1
+Cc1ccc(CN(C(=S)Nc2ccc(F)c(Cl)c2)C2CC(C)(C)[NH2+]C(C)(C)C2)o1,0
+O=C(CCNS(=O)(=O)c1ccc(C2CCCCC2)cc1)Nc1[nH+]cccc1O,0
+CCc1ccc(C(=O)N2CC(C(=O)NCCCC[NH+](C)C)C3(CC[NH2+]CC3)C2)cc1,0
+CC(C)(C)OCC(O)C[NH+](Cc1ccccc1F)CC1CC(c2ccc(Cl)c(Cl)c2)=NO1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2c(-c3ccccc3F)cccc21,1
+CC(C)C(NC(=O)CSC1N=NNN1c1ccccc1F)C1[NH+]=c2ccccc2=[NH+]1,0
+CC(C)CC([NH3+])C(=O)NN=C1C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21,0
+Cc1cc(C)cc(NC(=S)N2CC[NH+](CC(=O)Nc3cc(Cl)cc(Cl)c3)CC2)c1,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)c2cccnc2Cl)CC12CC[NH2+]CC2,0
+COc1cc(OC)cc(C2c3cccn3CCC[NH+]2CC(=O)NCCC(c2ccccc2)c2ccccc2)c1,0
+Oc1ccccc1NCC(c1ccc(-c2ccccc2)cc1)N1CC[NH2+]C(O)C1,0
+C[NH+]1CCC2(CC1)NC(=O)N(CN1CCCC(C(=O)NC3CC3)C1)C2=O,0
+NC1(C(=O)NC(CCCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,1
+CCOC(=O)C(C#N)=CNNC1[NH+]=c2ccccc2=[NH+]1,0
+Nc1ncnc(N2CCN(C(=O)C(N)Cc3ccccc3)CC2)c1Cl,1
+CC1(C)CC(=O)N(c2cc(N)ccc2C(=O)[O-])C(=O)C1,0
+CCC(C)c1ccc(NC(=O)CCSc2nnc(NN=Cc3ccc(C)cc3)n2N)cc1,0
+[NH3+]CCc1ccc(S(=O)(=O)Nc2cccc(I)c2)cc1,0
+CN(C)c1ccc(C(CNS(=O)(=O)c2ccc3c(c2)OCCCO3)C2=c3ccccc3=[NH+]C2)cc1,0
+CC(C)C(C)(CC(=O)NC1CCCC(O)C1)C(=O)[O-],0
+CC1CC(C)C[NH+](CCNC(=O)NNC(=O)CC2CCCCC2)C1,0
+Cc1ccc2cccc(NC(=S)NC(=O)c3cccs3)c2n1,0
+Nc1c(NCCN2CCOCC2)nc[nH+]c1NN(c1ccccc1)c1ccccc1,0
+CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)NCCN1C(=O)C=CC1=O,1
+COc1ccc(N2CC(C[NH2+]CCC3N=CC(C)=N3)C(c3ccccc3Cl)N2)cc1,0
+CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[NH+](Cc1ccccc1)CC(C)O,0
+CCONCC(c1ccc(S(=O)(=O)C(C)C)cc1)N1CC[NH2+]C(c2ccccc2O)C1,0
+COc1cccc(N2CC[NH+](C(c3cc4cc5c(cc4[nH]c3=O)OCO5)c3nnnn3C(C)(C)C)CC2)c1,0
+COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2cc(C)on2)c1,0
+CCOc1ccc(NC(=O)Nc2cccc(C3C=c4cc(F)ccc4=[NH+]3)c2)cc1,0
+Cc1ccc(S(=O)(=O)CNC(=O)C(c2c(Cl)cccc2Cl)N(C)C(=O)C2CCCCC2)cc1,0
+CC(C)CC(C)NC(=O)C1C[NH2+]CC1C(=O)NC(C)c1cccc2ccccc12,0
+O=C(CNC(=O)CN1NNc2ccccc2C1=O)NCCC1=c2ccccc2=[NH+]C1,0
+COc1ccc(NC(=O)c2c(NC(=O)C[NH+]3CCCCC3)sc3c2CCC(C(C)(C)C)C3)cc1,0
+COc1cccc(NC(=O)C(C)NC(=O)C2Cc3ccccc3C[NH2+]2)c1,0
+CCCCCN1C(=O)C(C(=O)NC2C(=O)[NH+]=c3ccccc3=C2O)C(O)c2ccccc21,0
+CCc1ccc(OC)c(S(=O)(=O)NCC(c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)c1,0
+CCOc1cc(C2N=C(O)c3c(sc4c3CC[NH+](CC)C4)N2)ccc1O,0
+CCN1C(=O)C(CCC(=O)NCCC2=c3ccccc3=[NH+]C2)=NC2=C(C)NN(c3ccc(C)cc3)C21,0
+CC(C(=O)Nc1c(Cl)cc(N)cc1Cl)[NH+](C)CC(C)(C)C,0
+CC(C(=O)Nc1sc2c(c1C(N)=O)CCC2)[NH+](C)CC(=O)NC(C)(C)C,0
+COc1cc(C[NH2+]C2CCCC(O)C2)cc(Br)c1O,0
+C[NH+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)CC(=O)Nc1ccccc1C(F)(F)F,0
+N#CC(c1ccccc1)c1ccc(NC(=O)C[NH+](CCCCO)Cc2ccccc2)cc1Cl,0
+C=CC[NH+](Cc1nc2scc(-c3ccccc3C)c2c(=O)[nH]1)CC(O)COc1ccccc1C,0
+COC(=O)C1[NH+]=c2cc(OC)ccc2=C1NC=C1C(=O)NC(=O)NC1=O,0
+Cc1cc(C)cc(OCC[NH+](C)C(C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)c1,0
+Cc1cc(C)cc(C2(C[NH2+]Cc3cc4ccccc4[nH]c3=O)CCOCC2)c1,0
+CC(C)CC(NC(=O)C1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc2c(c1)OCO2,0
+COc1cc(C2N=C(O)c3c(sc4c3CC[NH+](C(C)C)C4)N2)cc(I)c1OC,0
+CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccc(C(N)=O)cc3-4)cc2)C1,1
+CCc1cc(C(Nc2cccc[nH+]2)c2ccc(C)cc2)c(NC(=O)c2ccco2)s1,0
+[NH2+]=C1Nc2nc3ccccc3n2C(c2ccc(OC(F)F)cc2OC(F)F)N1,0
+Cc1nc(COc2ccc(C3[NH+]=C(N)Nc4nc5cc6c(cc5n43)OCCCO6)cc2)cs1,0
+CCCCn1c(N)c(N(C(=O)C[NH+]2CCc3sccc3C2C)C2CCCC2)c(=O)[nH]c1=O,0
+CCC1c2ccsc2CC[NH+]1CC(=O)Nc1ccccc1SCC(N)=O,0
+O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4cc5cn[nH]c5cc4nc3-c3ccccc3)cc2)CC1,1
+[NH3+]CC1Oc2cc(Cl)cc(Cl)c2NC1=O,0
+Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCCC[NH3+])c1C,0
+O=C(CCCCCN1C(=O)c2ccccc2NC1O)NCCC1=c2cc(Cl)ccc2=[NH+]C1,0
+N#CC1=C(N)OC2=NN=C(c3ccccc3)C2C1c1ccco1,0
+O=C(COc1ccc(Cl)cc1C(=O)Nc1ccccc1)NCC(=O)Nc1ccc(F)c(F)c1F,0
+CC(C)(C)[NH2+]CC(=O)c1cc(Cl)c(N)c(C(F)(F)F)c1,0
+CCOc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc(Br)c1OCC(=O)Nc1ccc(C)cc1,0
+CC[NH+](CC)CCOc1ccc(NC(=O)c2cc(S(N)(=O)=O)ccc2C)cc1,0
+Nc1ncnc(N2CCC(c3nc(-c4ccnc(C(F)(F)F)c4)cn3CCN3CCC3)CC2)c1-c1cnoc1,1
+Cc1ccc2c(c1)c1c(n2CC(O)C[NH2+]Cc2ccco2)CCCC1,0
+CCOc1cccc(C[NH2+]C2CCC(n3cc(C(=O)NCC(C)C)nn3)CC2)c1O,0
+COc1cccc(C2CSCC(C(=O)NCCc3ccc(C)cc3)[NH2+]2)c1,0
+O=C(Cn1cnc2sc3c(c2c1=O)CCC3)NC(=O)NC1CCCCC1,0
+O=C(NNC(=O)c1cc2c(s1)CCCCC2)c1cnsn1,0
+CSC1=CC2C[NH+]3NP(=O)(Cc4ccccc4)OCC3CC2C=C1S(=O)(=O)Oc1ccccc1,0
+CC([NH3+])C(c1cc(Br)cs1)N1CCCCC1CCO,0
+c1coc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)c1,1
+CCOC(=O)C1=C(C[NH+]2CCCC2c2ccc3c(c2)OCCCO3)NC(=O)NC1C,0
+CCCN(CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C)cc1)C(=O)Nc1ccc(Cl)cc1,0
+Cc1cccc(NC(=O)c2cc3ccccc3oc2=[NH+]c2ccc(S(N)(=O)=O)cc2)c1,0
+NC(=O)c1c(NC(=O)COC(=O)c2ccc3c(c2)CC(c2ccccc2)OC3=O)sc2c1CCC2,0
+CC(C)[NH+]1CCC(CNc2cccc(Cl)c2C(N)=S)C1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2c1cccc2C(F)(F)F,1
+[C-]#[N+]c1cccc(C(=O)N2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)c1,1
+NC(COc1cncc(-c2cc3c(-c4ccccc4)n[nH]c3cn2)c1)Cc1ccccc1,1
+CCc1ccc(C(=O)Nc2cccc(C[NH+]3CCCC3C(N)=O)c2)o1,0
+COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)cc(Cl)c1OCC(N)=O,0
+[NH-]C1=NC(=O)C2=NCN(C3OC(COP(=O)([O-])CP(=O)([O-])O)C(O)C3O)C2=N1,0
+Nc1ncccc1-c1nc2cc(-c3ccccc3)cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,1
+CC1CN(c2ccc(CNC(=O)NCCNS(C)(=O)=O)c[nH+]2)CC(C)O1,0
+CC(NC(=O)CSc1nc(Nc2ccccc2)c2ccccc2n1)c1ccc(S(N)(=O)=O)cc1,0
+CCNC(=O)COc1ccc(C[NH2+]CC2(O)CCCc3ccccc32)cc1,0
+CCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(=S)NC(=O)CC)cc2)cc1Cl,0
+CCOc1cccc(C2CC(c3ccc(C)cc3)=NC(c3ccc(OC)c(Br)c3)[NH2+]2)c1O,0
+O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(c1cccs1)N2,0
+CCc1ccc(C(CNS(=O)(=O)C(C)C)N2CC[NH2+]C(c3ccccc3O)C2)cc1,0
+O=c1[nH]ccc2nc(-c3ccc(CN4CCC(c5nnc(-c6cnccn6)[nH]5)CC4)cc3)c(-c3ccccc3)cc12,1
+CC(Sc1nc(N)nc(N)n1)C(=O)Nc1ccccc1F,0
+O=C(CC1C(=O)NCC[NH+]1CC=Cc1ccccc1)NC1Cc2ccccc2C1,0
+c1ccc(C2NNC(SCC3[NH+]=c4ccccc4=[NH+]3)N2c2ccccc2)cc1,0
+CCC([NH2+]CC1CC1)(C(N)=O)c1ccc(Br)cc1,0
+Cc1ccccc1NC(=O)C(=O)NCC(c1ccc(N(C)C)cc1)[NH+]1CCc2ccccc2C1,0
+Cc1cc(C(=O)N2CC(C(=O)NC(C)CCCC(C)(C)O)C3(CC[NH2+]CC3)C2)ccc1Br,0
+Cc1ccc2c(c1)OC(C(=O)N1CCC(c3cc(=O)[nH]cn3)CC1)C2C,0
+CCCC[n+]1c(N)c(C(=O)Nc2sc3c(c2C(=O)NC)CCCC3)cc2c(=O)n3cccc(C)c3nc21,0
+Cc1ccc(C(C)C)c(OC(C[NH3+])c2cc(Br)cs2)c1,0
+COc1ccc2c(Sc3ccc(Cl)cc3)c(C(=O)NCCC[NH+](C)C3CCCCC3)[nH]c2c1,0
+COc1cc(C[NH2+]CCNCCO)cc(Br)c1OC(C)C,0
+CC[NH+](CC(=O)Nc1ccccc1SCC(N)=O)Cc1cccs1,0
+NC(=O)c1ccc(NC2CNCCC2c2ccc(F)c(Cl)c2)c2cncnc12,1
+Cc1ccc(OS(=O)(=O)c2cc(C(N)=O)n(C)c2)c(C)c1,0
+COC(=O)c1ccccc1N(C)c1nc[nH+]c(Nc2cccc3ccc(C)nc23)c1N,0
+C[NH+]1CCN(NS(=O)(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1,0
+CCc1nc2sc(C(c3ccc(Cl)cc3)[NH+](CCO)CCO)c(O)n2n1,0
+CC1CC(C)CN(C(=O)C(CC2=c3ccccc3=[NH+]C2)NC(N)=O)C1,0
+CCC(NS(=O)(=O)c1ccc(C)cc1C#CC[NH3+])C(C)C,0
+Nc1cc(Br)cc(Br)c1S(=O)(=O)NC1CC[NH+](C2CC2)C1,0
+Cc1ccc(-n2c(-c3cccnc3N)nc3cccnc32)cc1,1
+O=C(NCC1OC(CO)C(O)C1[NH+]1CCc2ccccc2C1)C1CCCC1,0
+[NH3+]CCCCCC(=O)OC1N=C(c2ccccc2Cl)c2ccccc2NC1=O,0
+COc1cc(OC)cc(C(=O)Oc2ccc(-c3[nH+]c4cc(C)ccn4c3NC(C)(C)CC(C)(C)C)cc2)c1,0
+CCn1ncc(NC(=O)Cn2cc(-c3cc(N)nc(N(C)C)[nH+]3)cn2)n1,0
+CC[NH+]1CCN(C(c2cccs2)C(C)NC(=S)Nc2ccc(Br)cc2)CC1,0
+CC(Cl)C(=O)NC(=O)NCC1CCCC[NH+]1C,0
+NC(=O)c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2n1,1
+CCOc1ccc(N2C(=O)CC(SC(=[NH2+])NN=Cc3ccccc3O)C2=O)cc1,0
+NC1(c2ccc(-c3nc4ccc(CO)cn4c3-c3ccccc3)cc2)CCC1,1
+O=C(C[NH2+]CC1CCCO1)Nc1cccc(NC(=O)c2ccco2)c1,0
+Cc1cc(O)c(C[NH+](CC(C)C)CC(C)C)c2c1C(=O)C(=Cc1c(F)cccc1Cl)O2,0
+CC1CN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC(C)N1,1
+CC[NH+](CC)CCN(C(=O)c1ccc(Br)o1)c1nc2ccc(Br)cc2s1,0
+O=C(NNC(=S)Nc1ccc(Cl)cc1)C1(O)C[NH+]2CCC1CC2,0
+O=C1N=CN=C2C1=NC(N1CC[NH2+]CC1)N2C1OC(CO)C(O)C1O,0
+CN(C)c1ccc(C=c2sc3nc4cc(Br)cnc4n3c2=O)cc1,0
+CC(C)CN(C(=O)C[NH+](C)CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,0
+Cc1ccc(NC(=S)NCC(c2cccs2)N2CC[NH+](C)CC2)cc1,0
+O=C(COc1ccc(Cl)cc1)Nc1cccc2cccc(NC(=O)COc3ccc(Cl)cc3)c12,0
+COc1cc(OC)c(C([NH3+])c2cc(Br)sc2Br)cc1OC,0
+C[NH+](C)C1(CNC(=O)NNC(=O)C2CCS(=O)(=O)C2)CCCCC1,0
+CC(Oc1ccccc1F)C(=O)NNC(=O)NCC[NH+]1CCCCC1,0
+CC(NC1N=NC(=O)NC1=O)C(=O)NN=CC1=c2ccccc2=[NH+]C1,0
+CCC(CC)(CNC(=O)NNC1(C)CCS(=O)(=O)C1)[NH+](C)C,0
+Cc1ccc(N2C(=O)C3C(C2=O)C2c4ccccc4C=C[NH+]2C3C(=O)Nc2ccc(Cl)cc2)c(C)c1,0
+NC(=O)C1C2=C(CCC2)SC1NC(=O)CCCC1=c2ccccc2=[NH+]C1,0
+C[NH+](C)Cc1cccc(NC(=O)C(=O)NCC(O)c2ccc(Cl)cc2)c1,0
+CS(=O)(=O)c1cccc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4C#N)CC3)n2)c1,1
+NC1(C(=O)NCc2ccc(Cl)cc2)CCN(c2ccnc3[nH]ccc23)CC1,1
+O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3ncc(-c4nnn[nH]4)cc3-c3ccccc3)cc2)CC1,1
+CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CC(C)(C)[NH2+]C2(C)C,0
+COc1ccccc1N1CCN(C2C3OCC(O3)C([NH2+]Cc3ccccc3O)C2O)CC1,0
+CNC(=O)Nc1cc(C)cc2c1=[NH+]C(C(=O)NCCCc1ccccc1)C=2c1ccccc1,0
+CC(c1ccccc1Cl)N1CC[NH+](C(C)C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)CC1,0
+Nc1ncnc2nc(-c3ccc(CN4CCC(n5ncc6c(N)ncnc65)CC4)cc3)c(-c3ccccc3)cc12,1
+CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(CN(C)C)cc21,1
+C[NH+]1CCc2c(sc3c2C(=O)NC(c2ccc(-c4cc(Cl)cc(Cl)c4)o2)N3)C1,0
+CC1(C)CC(NC(=S)N(Cc2ccccc2)Cc2ccccc2)CC(C)(C)[NH2+]1,0
+Cc1ccc(C)c(C(C)NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)c1,0
+O=C1N=CC=C2N=C(c3ccc(CN4CCC(c5n[nH]c(-c6ccccn6)n5)CC4)cc3)C(c3ccccc3)=CC12,1
+COc1ccc(Nc2cc(C)nc(Nc3ccc(NS(=O)(=O)c4cc(C)ccc4OC)cc3)n2)cc1,0
+CC[NH+](CC)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2C1c1ccc(OCC(N)=O)cc1,0
+CCOc1ccc(F)cc1NC(=O)NCC(O)C[NH+]1CCc2ccccc2C1,0
+CCCn1c(N)c(C(=O)C[NH+](C)CCOc2ccccc2)c(=O)[nH]c1=O,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12,1
+CCOC(=O)c1c(-c2ccc(OC)cc2)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1C,0
+[NH2+]=C(SC1CC(=O)N(c2ccc(Cl)cc2)C1=O)N1N=C(c2ccccc2)CC1c1ccccc1,0
+NC(=O)C[NH+]1CCC(NC(=O)C2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)CC1,0
+Cc1ccc(SC2(C[NH+]3CCCC3)COc3c(Br)cc(Br)cc3C2=O)cc1,0
+CC(C(=O)Nc1sccc1C(N)=O)[NH+](C)CC(=O)Nc1cc(F)cc(F)c1,0
+CC(C)CC[NH+]1CCN(C(=O)NC(C)c2cccc(S(N)(=O)=O)c2)CC1,0
+CC1Cc2cc(F)c(F)cc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)n1C,1
+Cc1nc(N)nc2c1cc(-c1cnc3ccccc3c1)c(=O)n2C1CCC(OCC(N)=O)CC1,1
+CCOC(=O)c1c(NC(=O)C(C)Sc2nnc(NC(=O)C(C)(C)C)s2)sc2c1CCCCC2,0
+[NH3+]C(CC1=c2ccccc2=[NH+]C1)C1N=NC(SCc2ccc(Cl)c(Cl)c2)O1,0
+CC[NH+]1CCCC1CNS(=O)(=O)c1c(Br)cc(N)cc1Br,0
+CC[NH+]1CCc2c(sc(NC(=O)c3cc4cccc(OC)c4o3)c2C(N)=O)C1,0
+NC(=O)C1CCC[NH+]1Cc1cccc(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)c1,0
+COc1cccc(C(C(C)[NH3+])N(C)Cc2csc(Br)c2)c1,0
+CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC(=O)N3)CC1)c1ccc(Cl)cc1,1
+NS(=O)(=O)c1ccc(CCNC(=O)CC2CC3CCC2C3)cc1,0
+CCC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1C1C=C(c3ccc(Br)cc3)NN12,0
+O=C1[NH+]=c2ccc(Br)cc2=C1NNC(=O)c1cc(C2CC2)[nH]n1,0
+CNC(=O)Cc1ccccc1NC(=O)C(=O)NCCC[NH+]1CCCCC1C,0
+CCC1(C)NC(=O)N(CC(=O)OCC(=O)N2N=C(c3ccc(C)cc3)CC2c2ccco2)C1=O,0
+C=C(C)c1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN2CCCC2)CC1,1
+CCc1c(N)ncnc1N1CCC(c2nc(-c3cccc(C(F)(F)F)c3)cn2CCN2CCC2)CC1,1
+CCC[NH+](CC(=O)Nc1sccc1C(N)=O)C(C)c1ccccc1Br,0
+CSCc1ccc(CNc2cccc(S(N)(=O)=O)c2C)o1,0
+CC[NH2+]C(C)(CCCSc1ccc(Br)cc1)C(N)=O,0
+CC[NH+](c1ccc(N)cc1Br)C(C)COC,0
+CC(C)C(NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)NN=CC1=c2ccccc2=[NH+]C1,0
+CC(CCc1ccc(O)cc1)NC(=O)C(=O)Nc1ccc(Br)cc1,0
+C=CCN(Cc1ccccc1)C(=S)NC1CC(C)(C)[NH2+]C(C)(C)C1,0
+CCC([NH3+])C(c1ccco1)N(C)Cc1cc(Br)cs1,0
+O=C(c1ccco1)N1CCC2(C1)Nc1cccnc1NC2=[NH+]C1CCCC1,0
+Cc1ccccc1COc1ccc(C2c3sc(=O)[nH]c3SC3C(=O)N(c4ccccc4)C(=O)C32)cc1,0
+COc1ccc(C[NH+]2CCNC(=O)C2CC(=O)N(C)Cc2[nH]c(C)c[nH+]2)c(C)c1C,0
+CCCCOc1ccc(Br)cc1C=NNC(=O)C(NC(=O)c1cccc(Cl)c1)C(C)C,0
+CN(C)C(=O)C1CCC[NH+]1CC(=O)Nc1sccc1C(N)=O,0
+NC(COc1cncc(-c2cc3cn[nH]c3cc2[N+](=O)[O-])c1)Cc1c[nH]c2ccccc12,1
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)CCCc4ccccc4)c3)cc12,1
+CC(C[NH+]1CCc2sccc2C1)C(N)=NO,0
+Cc1ccc(Cl)c(NC(=O)CSc2nnc(C(C)[NH+](C)C)n2-c2ccc(F)cc2)c1Cl,0
+CS(=O)(=O)N(Cc1ccc2[nH]c(=O)c3cccn3c2c1)C1CC1,1
+CC1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC(C)[NH2+]1,0
+CCC([NH3+])C(c1ccccc1Br)N(CC(F)(F)F)C1CC1,0
+C[NH+](C)C(CNC(=O)C1=c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2=[NH+]C(=O)C1)c1ccco1,0
+CC(NS(=O)(=O)c1cccs1)c1ccc(C#CC[NH3+])cc1,0
+CC(C)C(C[NH+](C)C)[NH2+]C(C)(C(=O)[O-])c1ccc(Br)cc1,0
+CCC(N)C(c1ccc(Cl)s1)[NH+]1CCCC1C(=O)N(C)C,0
+COc1ccc(-n2nc3nc(NCC[NH+]4CCCCC4)nc(-c4cccc(F)c4F)c3c2N)cc1,0
+COC(=O)C(C)NC(=O)C1CNCCN1C(=O)C1CC[NH2+]CC1,0
+O=C(NC(=S)Nc1ccccc1C1CC[NH2+]CC1)c1ccc(-c2ccc(Cl)cc2)o1,0
+CC(C)CC(C)NC(=O)C1C[NH2+]CC1C(=O)NC(C)CCc1ccccc1,0
+CCc1ccc(C(CNC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])[NH+](C)C)cc1,0
+O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4ccc(-n5cnnn5)cc4nc3-c3ccccc3)cc2)CC1,1
+CC(=O)Oc1ccc(N2C(=O)C3C(CCC(N)=O)[NH2+]C4(C(=O)Nc5c4ccc(Cl)c5C)C3C2=O)cc1,0
+CC(C(=O)NC(N)=O)[NH+]1CCCC1CCCO,0
+O=C(CCCNC(=O)C1C=c2ccccc2=[NH+]1)NC1Nc2ccccc2S1,0
+Cc1cccc(NC(=O)Cn2c([S-])nnc2-c2cccs2)n1,0
+Cc1n[nH]c2ccc(-c3cncc(NCC(N)Cc4ccccc4)c3)cc12,1
+Cc1ccc(S(=O)(=O)N[NH+]=c2oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2Cl)cc1,0
+Oc1ccccc1C(CCN1CC[NH+](CCC(c2ccccc2)c2ccccc2O)CC1)c1ccccc1,0
+COCC[NH+](C(C)C1CC1)C(c1cc(Br)cs1)C(C)N,0
+CCOc1cc(C2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc(Br)c1O,0
+CC1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)n1C,1
+COc1cccc(C2C(C(=O)Nc3ccc(C)cc3C)C(=O)CC(C)(O)C2C(=O)Nc2ccc(C)cc2C)c1,0
+COC(=O)c1c(NC(=O)C[NH+]2CCN(S(=O)(=O)c3ccccc3)CC2)sc2c1CCC(C)C2,0
+CC1=C(C(C)NC(=O)C2CN(C(=O)c3cccc4c3-c3ccccc3C4=O)CC23CC[NH2+]CC3)C(C)N=N1,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4ccc(Br)cc4)c3)cc12,1
+CC(=O)NC1CCOc2ccc(C([NH3+])c3ccccc3C)cc21,0
+CC(C(=O)Nc1sc2c(c1C(N)=O)CCC2)[NH+]1CCN(CCOc2ccc(Cl)cc2)CC1,0
+CC1=NN(c2ccccc2)C(Sc2nc3ccccc3[nH]2)C1C[NH3+],0
+CSCCC(=O)N1CC(C(=O)NCc2ccccc2Sc2ccccc2CO)C2(CC[NH2+]CC2)C1,0
+CC(=O)Nc1cccc(NC(=S)NNC(=O)c2cc(Cl)ccc2F)c1,0
+NC(=C[O-])C(O)C(OC1OC(C(=O)[O-])=CC(O)C1OS(=O)(=O)[O-])C(O)CO,0
+NC(=O)COc1ccc(CNC(=O)C[NH+](C2CC2)C2CCc3ccccc32)cc1,0
+COc1c(Br)cc(Br)cc1C[NH2+]CCNc1ccc([N+](=O)[O-])cc1Cl,0
+O=C(NN=CC1=c2ccccc2=[NH+]C1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cc1,0
+OC12CC3CC(C1)CC([NH2+]Cc1ccc(OCc4ccc(Cl)cc4)c(Br)c1)(C3)C2,0
+Nc1nc(C[NH+]2CCN(c3ccc(F)cc3)CC2)nc(Nc2ccc(F)cc2)n1,0
+CC1(C)CCCN(c2ccc(O)c(C(=O)c3ccc(C(=O)NC4CCCNCC4NC(=O)c4ccncc4)cc3)c2)C1,1
+CCCC[NH+]1CCN(c2nc3sc4c(c3c(=O)n2CC(=O)Nc2ccccc2C)CCCC4)CC1,0
+CCCC([NH3+])c1nc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)cs1,0
+CC(c1ccccc1)N1C(=O)C2C(CCC(N)=O)NC3(C(=O)Nc4ccccc43)C2C1=O,0
+NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(-c3ccncc3)ccc2c1=O,1
+Nc1cc2cc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)ccc2cn1,1
+Cc1nc(-c2ccc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2)c(-c2ccccc2)[nH]c1=O,1
+Cc1cc2cc(-c3nnc(NCC(N)Cc4ccc(C(F)(F)F)cc4)s3)ccc2cn1,1
+CC(C)[NH+]1CCC(CNC(=O)NNC(=O)CCC2CCCCC2)C1,0
+CN(C)c1cc(CNC(=O)CCCCC2SCC3NC(=O)NC32)cc[nH+]1,0
+CCCC[NH+]1CCCCC1CNC(=O)NCCCN1C(=O)CNC1=O,0
+CC(=O)N1CCN(Cc2nc(N)nc(Nc3ccc(C)cc3)n2)CC1,0
+[NH3+]Cc1nnc(NC(=O)COc2ccccc2[N+](=O)[O-])s1,0
+C=CCOCC(O)C[NH+](Cc1nc2scc(-c3cc(C)ccc3C)c2c(=O)[nH]1)CC(C)C,0
+Cc1ccc(-n2nc3ccc(NC(=O)C=Cc4ccc(-c5ccc([N+](=O)[O-])cc5)o4)cc3n2)cc1Cl,0
+CC([NH2+]C1CCN(CC(N)=O)CC1)c1sccc1Br,0
+CN(CCc1ccccn1)Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,1
+CC(SC1NN=C(C2=c3ccccc3=[NH+]C2)O1)c1nc(N)nc(Nc2ccccc2)n1,0
+CC(Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)C2c1c(Cl)cccc1Cl,0
+CC(C)C(NC(=O)C1CN(C(=O)c2csc3ccccc23)CC12CC[NH2+]CC2)C(=O)NC(C)(C)C,0
+N#Cc1cnc(-c2ccc(CN3CCC(c4nc5ccccc5[nH]4)CC3)cc2)c(-c2ccccc2)c1,1
+C=CC[NH+](C)CC1C[NH+]2CCC1CC2CNC(=S)Nc1cccc(Cl)c1,0
+CC[NH+](CC)C(C)CNC(=O)Nc1ccc(C(=O)NC(C)(C)CC)cc1,0
+Cc1cccc(NC(=O)Cc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1,1
+CCC[NH+]1Cc2cccc(NC(C)C(=O)NCc3cccs3)c2C1,0
+COc1ccc(C2=NC(NC(=O)CSc3[nH]c(Cc4ccc(O)cc4)c(C)[nH+]3)SC2)cc1,0
+CC1(C)CC([NH2+]CC(O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC(C)(C)[NH2+]1,0
+CC([NH3+])C(c1ccc(Br)s1)N(C)Cc1ccc(Br)cc1,0
+[NH2+]=c1oc2ccc([N+](=O)[O-])cc2cc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl,0
+Cc1[nH+]n(C)c(N)c1CN1CCN(CC[NH+](C)C)CC1,0
+CC(c1nnc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)n1-c1ccc(F)cc1)[NH+]1CCCCC1,0
+CCN(CC)CCNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccc(CN4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)nc2c1,1
+O=C1NC(c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(C(=O)c2ccc(F)cc2)C(O)(C(F)(F)F)N1,0
+Nc1c(NN(c2ccccc2)c2ccccc2)nc[nH+]c1Nc1ccc(Oc2ccccc2)cc1,0
+[NH3+]Cc1c(N2CCOC3CCCCC32)nc2sccn12,0
+NCc1ccc(-n2c(-c3cccnc3)nc3cccnc32)cc1,1
+Cc1ccc2[nH]c(C3CCN(Cc4ccc(-c5ncc(-c6nn[nH]n6)cc5-c5ccccc5)cc4)CC3)nc2c1,1
+COc1ccc(-n2c(SCC(=O)c3ccc(O)c(O)c3)nnc2-c2ccc(C)cc2)cc1,0
+CC(=O)Nc1ccc(NC(=O)CCNC(=O)N2CCC3=c4ccccc4=[NH+]C3C2)cc1,0
+NC(COc1cc(-c2ccc3cnccc3c2)cnc1Cl)Cc1c[nH]c2ccccc12,1
+CC1(C)Cc2c(sc3c2c(N)[n+](Cc2ccco2)c(=O)n3Cc2c(Cl)cccc2Cl)CO1,0
+CC(=O)NCC1CCC[NH+](C(C)C(=O)NC(=O)NC(C)C)C1,0
+CN(C)c1[nH+]cccc1CNC(=O)CCCCC1SCC2NC(=O)NC21,0
+CC(C)(C)c1ccc(C2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CC[NH+]2CCOCC2)cc1,0
+COc1cccc2c1=CC(C(=O)NC(C)C(=O)NC1Nc3ccccc3S1)[NH+]=2,0
+Cc1sc(C2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1CSc1nnc(N)s1,0
+CC[NH2+]C(C)(CCCCSc1cccc(Br)c1)C(N)=O,0
+Cc1cc(C2[NH2+]CCNC2=O)cc(C)c1O,0
+CCC1CCCC[NH+]1CCCNC(=O)CN1C(=O)C(=Cc2cccc(Cl)c2)Sc2ccccc21,0
+Cc1cc(N2CCC(COc3ccc4c(c3)CN(C(N)=[NH2+])CC4)(C(=O)[O-])CC2)cc[nH+]1,0
+CCOc1cccc(C2CC(c3cccc(OC)c3)=NC(c3ccc(OC)c(Br)c3)[NH2+]2)c1O,0
+NC1(c2ccc(-n3c(-c4cc[nH]n4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1,1
+COC(=O)c1cc(Br)cc(Br)c1NC(=O)C([NH3+])C(C)(C)C,0
+C[NH+](C)CC(=O)N1CCN(C(=O)C2CC(O)C[NH2+]2)CC1,0
+Cc1c(Cl)cccc1NC(=O)CSC1=NC2(CC[NH+](C)CC2)N=C1c1ccc(Br)cc1,0
+CC(CNS(=O)(=O)c1cc(Br)ccc1N)C[NH+]1CCCC1,0
+COc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN2CCC2)CC1,1
+C[NH+](C)CC(=O)Nc1cccc(CNC(=O)NCCSc2ccccc2)c1,0
+Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CC(C(=O)NCCC(C)C)C2(CC[NH2+]CC2)C1,0
+CCOC(=O)C1=C(C[NH+]2CCCN(C(=O)NC(C)(C)C)CC2)N(CC)C(=O)NC1c1ccc(Cl)cc1,0
+CC(NC(=O)c1ccc(NC(=O)CNc2ccc(C(=O)NCc3ccco3)cc2)cc1)c1ccccc1,0
+Cc1ccccc1NC(=O)NNC(=O)NCC(c1ccccc1Cl)[NH+](C)C,0
+Cc1ccc(Cl)cc1N1CC[NH+](C(c2cc3c(C)ccc(C)c3[nH]c2=O)c2nnnn2C(C)(C)C)CC1,0
+CCC([NH3+])(CC)c1nc(-c2cc3cc(Br)ccc3o2)cs1,0
+Cc1ccc(C[NH+](C)CC(=O)NCc2ccc(S(N)(=O)=O)cc2)o1,0
+O=S(=O)(NCC[NH2+]C1CC1)c1sccc1Br,0
+CCOC(=O)c1c(NC(=O)COc2ccc3ccccc3c2)sc2c1CC(C)(C)[NH2+]C2(C)C,0
+NC(=O)c1c(Nc2nc(NCCCn3cc[nH+]c3)nc(N)c2[N+](=O)[O-])sc2c1CCCC2,0
+CC[NH+](CC)C(CNc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1Cl,0
+O=C(NC(CC1=c2ccccc2=[NH+]C1)C(=O)NNC(=O)C1CCCCC1)c1ccc(F)cc1,0
+O=C(C[NH2+]CC(O)CO)Nc1nc2c(s1)CCCCCCCCCC2,0
+CC1=[NH+]C(NC(=O)NCC2C=NN=C2c2cccs2)SN1,0
+NC(CNc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,1
+C=Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN2CCCCC2)CC1,1
+CC1CCC(C(=O)NC(C)C2CCCO2)CC1[NH3+],0
+CCCCN1c2ccccc2C(=O)C(C(=O)NC2C(=O)[NH+]=c3ccccc3=C2O)C1O,0
+CC1(O)CCC2(CCC(=O)N3CCCC3)C([NH2+]Cc3ccc(CO)o3)CC(C)(C)C2C1,0
+CCCCCNC(=O)C1CN(C(=O)c2ccc(C)cc2)CC12CC[NH2+]CC2,0
+CN1C(CO)CC(C[NH2+]Cc2cc3ccccc3[nH]2)C1c1ccccc1F,0
+CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)[NH2+]C3(C)C)cc1,0
+O=C(NCCc1ccccc1Cl)C1C[NH2+]CC1C(=O)NC1CCCc2ccccc21,0
+N#CC1=C(N)N(c2ccc(Br)cc2F)C2=C(C(=O)CCC2)C1c1ccc([N+](=O)[O-])s1,0
+Nc1ncccc1-c1nc2cc(-c3cccnc3)cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,1
+Cc1cc(NS(=O)(=O)c2c(N)cccc2Cl)n(C)n1,0
+O=C1NCCc2nc(-c3ccc(CN4CCC(c5nnc(-c6ccccn6)[nH]5)CC4)cc3)c(-c3ccccc3)cc21,1
+Cc1cc(Br)cc2c1NC(=O)C2[NH2+]Cc1nc[nH]n1,0
+CC([NH2+]C1C(C)CCCC1C)c1ccc(S(N)(=O)=O)cc1,0
+NS(=O)(=O)c1ccc(CC[NH2+]CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1,0
+COc1ccc(C2(C)NC(=O)N(CC[NH3+])C2=O)cc1[N+](=O)[O-],0
+Cc1cccc(C(C)C)c1NC(=O)NCC[NH+](C)Cc1ccccc1,0
+CC1[NH+]=c2ccc(F)cc2=C1CCNC(=S)Nc1ccc(OC(F)(F)F)cc1,0
+CC[NH+](CCC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)NC(c1ccc(C)cc1)C1CC1,0
+Cc1[nH+]nc(N(C)CC(C)O)c(C(N)=NO)c1C,0
+CN(C)c1ccc(CNc2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)c[nH+]1,0
+CC(Sc1nc2sc3c(c2c(=O)n1CCC[NH+](C)C)CCCC3)C(=O)NC(N)=O,0
+COC(=O)C1CN(C2CC(C(=O)NCCC3=c4ccccc4=[NH+]C3)[NH+](C3C4CC5CC(C4)CC3C5)C2)N=N1,0
+CCOC(=O)N1CC[NH+](C(C)C(=O)N2CCCC(C(N)=O)C2)CC1,0
+Nc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CN5CCC(n6cnc(-c7ccccn7)c6)CC5)cc4)nc3ccn12,1
+CNC(=S)N(CCNc1[nH+]cc(C(F)(F)F)cc1Cl)Cc1ccc(Cl)cc1,0
+CCC([NH2+]Cc1nc[nH]n1)c1cc(Br)ccc1O,0
+S=C(NCCCCCCNC(=S)Nc1ccc2ccccc2n1)Nc1ccc2ccccc2n1,0
+CCc1ccc(C(C)NC(=O)C2CN(C(=O)c3ccc(C)c(C)c3)CC23CC[NH2+]CC3)cc1,0
+CCC(=O)Nc1ccc(C(C)NC(=O)NCC[NH+](C)Cc2ccccc2)cc1,0
+C[NH+]1CCc2c([nH]c3ccccc23)C1c1c(O)nc(O)n(CCC2=CCCCC2)c1=O,0
+CCC1CCCC[NH+]1CCCNC(=O)c1sc2ncn(CC(=O)N3CCCCC3C)c(=O)c2c1C,0
+NC(=O)c1cccc2c(NC(CN3CCC3)c3cccc(C(F)(F)F)c3)ncnc12,1
+CC(C)(C)OC(=O)NCC1CCCC[NH+]1CC(=O)NC(=O)NCc1cccs1,0
+CCOc1cc(C[NH2+]CCCCO)cc(Br)c1OCc1c(Cl)cccc1Cl,0
+CCOc1ccc(NC(=O)CSC2=NNC(Cc3cc(=O)[nH]c(=O)[nH]3)N2c2ccc(F)cc2)cc1,0
+Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cc(NC(=O)c4ccco4)ccc3C)o2)cc1Cl,0
+Cn1nc(NC(=O)c2cccc(Cl)c2)c2c1NC(=O)CC2c1ccco1,0
+CN(C)c1ccc(C(=O)Nc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)cc1,1
+O=c1[nH]cnc2c1ncn2C1OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C(O)C1O,0
+COc1cc(-c2cnc[nH]2)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12,1
+CCCC(c1nnnn1C(C)(C)C)[NH+](CCCO)Cc1cc2c(C)ccc(C)c2[nH]c1=O,0
+Cc1ccc2nc(SC(C[NH3+])c3cc(Br)cs3)[nH]c2c1,0
+C[NH+](C)Cc1c(O)ccc(C(=O)COc2ccccc2Br)c1O,0
+C=C(C)c1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN2CCCCC2)CC1,1
+N#Cc1ccc(S(=O)(=O)N2CC[NH+](CC(=O)Nc3sc4c(c3C(N)=O)CCC4)CC2)cc1,0
+Nc1cc(N2CCC(c3nc(-c4ccc(C(F)(F)F)cc4)cn3CCN3CCCC3)CC2)ncn1,1
+ONCC(c1ccc(-c2ccccc2)cc1)N1CC[NH2+]C(c2ccccc2O)C1,0
+CS(=O)(=O)NC1Nc2ccc(C(=O)NCCC3=c4ccccc4=[NH+]C3)cc2S1,0
+COc1ccc2c(c1)C(O)C([NH3+])C1(CCCC1)O2,0
+O=S(=O)([N-]CC(c1ccc(-c2ccccc2)cc1)[NH+]1CC[NH2+]C(c2ccccc2O)C1)Oc1ccccc1,0
+CC1CC[NH+](C(C)CNC(=O)NC(C)c2cccc(S(N)(=O)=O)c2)CC1,0
+Cn1cc[nH+]c1C(Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1,0
+CCN1NC(C)=C(Br)C1C(=O)N1CC(C(=O)NC(C)C2=C(C)N=NC2C)C2(CC[NH2+]CC2)C1,0
+NCC(Cc1ccc(F)cc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,1
+O=C1C[NH+](Cc2ccc(Br)cc2)C(c2cc(O)c(O)c(Cl)c2)N1,0
+CC(C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+]1Cc2ccccc2-c2ccccc2C1,0
+Cc1c(C)c2ccc(O)c(C[NH2+]C3CCS(=O)(=O)C3)c2oc1=O,0
+O=C(COc1ccc([N+](=O)[O-])cc1)NN=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1,0
+CC[NH+](CC)CCOc1c(Br)cc(N)cc1Br,0
+C#CCNC(=O)CNC(=O)NCc1cc(F)ccc1Br,0
+CCC(N)C(c1cc(Br)cs1)[NH+](CCO)C1CCCCC1,0
+CCCCCCCCCCCCc1ccc(S(=O)(=O)Nc2nnc(C)s2)cc1,1
+CC(CCc1ccccc1)NC(=O)C1C[NH2+]CC1C(=O)NCC1CCCO1,0
+CC(C)C([NH2+]CC(=O)N1CC(C(N)=O)Oc2ccccc21)c1ccc(Cl)cc1,0
+O=C(NCCN1CC[NH2+]CC1)C(=Cc1ccc(Cl)cc1)NC(=O)c1ccccc1Cl,0
+C[NH+](C)CCCNC(=S)NNC(=O)c1cc2n(n1)C(C(F)(F)F)CC(c1ccc(Cl)cc1)N2,0
+CC(=O)c1ccc(NC(=O)CN2c3ccccc3C(C=C(C#N)C3[NH+]=c4ccccc4=[NH+]3)C2C)cc1,0
+O=C1NCCCC1[NH2+]CC(O)c1cccc(Br)c1,0
+CC(C)CC([NH3+])C(=O)Nc1sc2c(c1C#N)CCCCC2,0
+Fc1ccc2nc(C3CCN(Cc4ccc(-c5nc6ccnn6cc5-c5ccccc5)cc4)CC3)[nH]c2c1,1
+CCc1ccccc1NC(=O)CSc1nc2n[nH]c(C)c2c(=[NH2+])n1-c1cccc(C)c1,0
+NC1(c2ccc(-c3nc4ccc(O)cn4c3-c3ccccc3)cc2)CCC1,1
+CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=S)NC(=O)c3ccc(Br)o3)cc2)cc1,0
+CCCC(C[NH3+])NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O,0
+COC(=O)C1[NH+]=c2ccc(Br)cc2=C1NC(=O)C(C)N1CCN(c2cccc(C)c2C)CC1,0
+NC(=O)c1c(NC(=O)CN2CC[NH+](CC=Cc3ccccc3)CC2)sc2c1CCCC2,0
+CCc1nn(-c2ccccc2)c(N2CC[NH+](CC)CC2)c1C[NH+](Cc1cccc(C)c1O)C(C)C,0
+CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)NNC(=O)CC1=c2ccccc2=[NH+]C1,0
+Nc1c[nH+]c2ccc(Br)cc2c1N1CCCC1CO,0
+CCCC(C)[NH2+]CC(O)COc1ccc(C)cc1Br,0
+CC[NH+](CC)C1C2OCC(O2)C([NH2+]Cc2ccc(N(C)C)cc2)C1O,0
+CCn1cc(Cl)cc1C(=O)Nc1snc(C)c1C(=O)[O-],0
+NC(COc1cncc(-c2ccc3cnccc3c2)c1)c1ccccc1,1
+C[NH2+]C(C)(CCOc1c(Br)cc([N+](=O)[O-])cc1Br)C(N)=O,0
+CC1CCC(CNS(=O)(=O)Cc2ccc(C[NH3+])cc2)CC1,0
+CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)C=Cc2ccc(-c3cccc(Cl)c3Cl)o2)CC1,0
+Cc1cc(C)c(NC(=O)C2Nc3cc(F)ccc3S(=O)(=O)N2)c(C)c1,0
+CCN(CC)C(=O)c1cccc(COc2ccc(N3C(N)=NC(N)=[NH+]C3(C)C)cc2Cl)c1,0
+CCc1ccc([NH+]=c2oc3c(C)ncc(CO)c3cc2C(N)=O)cc1,0
+Cc1c(N=Cc2c([O-])[nH]c(=O)n(-c3ccc(Cl)cc3)c2=O)c(=O)n(-c2ccccc2)n1C,0
+CCCCN1C(=O)C2C(CC(C)C)[NH2+]C3(C(=O)Nc4ccc(Br)cc43)C2C1=O,0
+CC1(C)CC(Nc2nc(=O)c(Cc3ccco3)n[nH]2)CC(C)(C)[NH2+]1,0
+O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4ccc(Cn5cnnn5)cc4nc3-c3ccccc3)cc2)CC1,1
+CC[NH+](CC(=O)NC(=O)NCC(C)C)CC(=O)Nc1c(Cl)cccc1Cl,0
+CC1(C)Cc2c(sc(NC(=O)C3CCCN(S(=O)(=O)c4ccc(Cl)s4)C3)c2C#N)C(C)(C)[NH2+]1,0
+CCCCn1c(N)c(N(Cc2ccccc2)C(=O)C[NH+](C)CCOc2ccccc2C)c(=O)[nH]c1=O,0
+COc1ccc(C2NNC(SCC(=O)NN=CC3=c4ccccc4=[NH+]C3)N2c2ccccc2)cc1OC,0
+CCc1ccc(C(CNC(=O)NCc2ccc(NCCOC)cc2)[NH+](C)C)cc1,0
+CC[NH+]1CCN(CCCCNC(=O)NNc2ccccc2C(F)(F)F)CC1,0
+CCOc1ccc(CCNC(=O)C2CN(C(=O)c3cc(Cl)cc(Cl)c3)CC23CC[NH2+]CC3)cc1,0
+CC([NH2+]C1CCN(CC(N)=O)CC1)c1ccc(Br)cc1Br,0
+O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCC3(CC2)COC3)cn1,1
+COCCN(C(C[NH3+])c1cc(Br)ccc1F)C(C)C1CC1,0
+C[NH+]1CCCC(CNS(=O)(=O)c2ccc(Cl)cc2N)C1,0
+NC(=[NH2+])NS(=O)(=O)c1ccc(N=Cc2cc(Br)ccc2O)cc1,0
+O=[N+]([O-])c1ccc(C(Nc2nccs2)=[NH+]Nc2ccc(Br)cc2)cc1,0
+CCOc1cc(C[NH2+]CC(C)O)cc(Br)c1OCc1ccccc1F,0
+CCC1CCc2sc(C(=O)NNC(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)cc2C1,0
+CC(c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC(=O)N(C)CC(=O)Nc1ccccc1Cl,0
+[NH3+]C(CC1=c2ccccc2=[NH+]C1)C1N=NC(SCc2c(Cl)cccc2Cl)O1,0
+CC1CN(Cc2ccc(C[NH2+]C(C(N)=O)c3ccc(F)cc3)cc2)CC(C)O1,0
+CC1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+CC([NH3+])C(c1ccc(Br)s1)N(C)Cc1ccco1,0
+CCNc1nc(Nc2ccc(NS(=O)(=O)c3cccc(C)c3)cc2)cc(C)[nH+]1,0
+CCC([NH3+])C(c1cc(Br)cs1)N1CCOC2CCCCC21,0
+CC(N)C(c1ccc(Br)s1)[NH+](CCO)C1CCCCC1,0
+O=C(C[NH+](CCCO)CC(F)(F)F)Nc1c(Cl)cccc1C(F)(F)F,0
+NS(=O)(=O)c1ccc(NC(=O)CC[NH+]2CCCC(C(F)(F)F)C2)cc1,0
+CC1(C)Cc2cccc(OCC(=O)NNC3=c4ccccc4=[NH+]C3=O)c2O1,0
+O=C1CCCN1CCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1,0
+C[NH+]1CCC(NS(=O)(=O)c2ccc(Br)cc2)(C(N)=S)CC1,0
+Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CCN3CCCCC3)CC2)c1Cl,1
+CCOc1cccc2sc(N(CC[NH+](CC)CC)C(=O)c3cc4c(ccc5ccccc54)oc3=O)nc12,0
+CCNC(=O)CN(C)C(=O)N1CC[NH+](C(C)C(=O)[O-])CC1,0
+NC(=O)C([NH2+]Cc1ccccc1OCC(F)(F)F)c1ccc(F)cc1,0
+CCC(=O)Nc1ccc(NC(=O)C(=O)NCC(c2ccc(C)cc2)[NH+](C)C)cc1,0
+Cc1nnc(-c2cc(Cl)ccc2Nc2ncnc3[nH]ccc23)[nH]1,1
+CC(C)(C)OC(=O)NNC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1,0
+NC(COc1cc(C=Cc2ccncc2)cnc1Cl)Cc1c[nH]c2ccccc12,1
+CC(C)(C)NC(=O)C(c1c(O)cc(O)cc1O)N(C(=O)C#Cc1ccccc1)c1ccccc1Cl,0
+CC(C)[NH+]1CCc2c(sc(NC(=NO)C(=NO)c3ccccc3)c2C#N)C1,0
+CCc1ccc(C(C)NC(=O)C2CN(C(=O)Cc3cccc(C)c3)CC23CC[NH2+]CC3)cc1,0
+O=C1C(=NNc2cccc3c(=O)[nH][nH]c(=O)c23)C(c2ccccc2)=NN1c1ccccc1,1
+NC(=O)c1cc2ccc(O)cc2oc1=[NH+]c1cccc(Cl)c1F,0
+COc1cccc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)c1OCc1ccc(F)cc1,0
+CCc1ccc(C(CNC(=O)NNC(=O)Nc2ccccc2C)[NH+](C)C)cc1,0
+Cc1ccc(C)c(OCC(O)C[NH+](C)C(C)c2ccc(S(N)(=O)=O)cc2)c1,0
+NNC(=O)c1nc(Cl)c(Cl)c(N)c1Cl,0
+COc1ccc(O)c(C(=O)c2ccc(C(=O)OC3CCCNCC3NC(=O)c3ccncc3)cc2)c1F,1
+O=C(Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccccc1,1
+CC(C(=O)Nc1ccc(C(N)=O)cc1)[NH+](C)CCCOc1ccc(Cl)cc1,0
+COC(=O)c1ccc(NC(=O)N2CCc3[nH]c[nH+]c3C2c2ccc(Br)cc2)cc1,0
+O=C(NCCCNc1cccc[nH+]1)NC1CCOc2ccccc21,0
+Cc1cc(OC(C)C)ccc1NC(=O)NCc1cccc(NC(=O)C[NH+](C)C)c1,0
+CC(C)CN(c1nc2c(s1)C([NH3+])CC(C)(C)C2)C1CC1,0
+Cc1nnc(Sc2ncn[nH]2)c(C(N)=[NH2+])c1C,0
+COc1ccc(N2C(=O)CC(SC(=[NH2+])NN=Cc3c(O)ccc4ccccc34)C2=O)cc1,0
+CCOc1cccc(C2[NH+]=NC(=S)N2N=Cc2cc(Br)cc(Br)c2O)c1,0
+Cc1ccc(C(=O)NN=C(C2[NH+]=c3cc(Cl)ccc3=[NH+]C2=O)C(O)C(O)CO)cc1,0
+Cc1ccc(C)c(C[NH+]2CCN(c3nc(SCC(=O)N4CCCC4)nc4sc(C)c(C)c34)CC2)c1,0
+O=C1C2C3CCC[NH+]3C3(C(=O)Nc4ccc(Cl)cc43)C2C(=O)N1c1ccc(F)c(Cl)c1,0
+CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN(C)C)CC1,1
+Cc1cc(Br)cc(C)c1NC(=O)C[NH2+]CC1CC1,0
+COc1ccc(NC(=O)c2c(NC(=O)C[NH+]3CCCC(C)C3)sc3c2CCC3)cc1,0
+CCOC(=O)N1CCN(C(=O)c2cc3n(n2)C(C(F)(F)F)CC(c2ccc4c(c2)OCO4)N3)CC1,0
+Cc1nc2cnc3ccc(C#Cc4cccnc4)cc3c2n1-c1ccc(CC#N)cc1,1
+CC(=O)Nc1cc(NC(=O)NCC(C)C[NH+]2CCCCC2)c(F)cc1F,0
+CCOC(=O)c1c(NC(=O)c2cc3n(n2)C(C(F)(F)F)CC(c2ccccc2)N3)sc2c1CCC2,0
+Cc1ccc(CNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1,0
+Cc1ccc(-n2cc(C3CC(=O)NCc4nc5sccn5c43)cn2)cc1C,0
+COc1cc(OC)cc(C2C(C#N)=C(N)OC3=c4ccccc4=[NH+]C(=O)C32)c1,0
+N#CCSc1ccccc1NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1,0
+Cc1ccc(C(NC(=O)C[NH+]2CCN(CC(=O)Nc3ccccc3Cl)CC2)c2cccs2)cc1,0
+CC1=C(CC(=O)NNC2=NC(=O)C(C)N=[NH+]2)C(C)ON1,0
+CC(C)NC(=O)NC1CC2C(=O)NCC(CCC(=O)N3CCCC3)[NH+]2C1,0
+O=C(NCC[NH+]1Cc2ccccc2C1)NCC(O)c1ccc2ccccc2c1,0
+CCC1CCCCN1S(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3cc(C)c(C)cc3s2)cc1,0
+[NH3+]Cc1nnnn1-c1cc(Br)ccc1Br,0
+OCCOc1ccccc1C[NH+]1CCCC(CO)(CCCc2ccccc2)C1,0
+NC(=[NH2+])SCC1=NC(=O)C2=C(c3ccc(F)cc3)CSC2=N1,0
+Nc1ccccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(C2(N)CCC2)cc1,1
+CCOc1cc(C[NH2+]CCNCCO)cc(Cl)c1OCc1c(Cl)cccc1Cl,0
+[NH3+]CCCNc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,0
+CC(C)(C)c1ccc(C2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4[N+](=O)[O-])ccc32)cc1,0
+Cc1ccc(C(=O)N=C(NCCC2=c3ccccc3=[NH+]C2)Nc2ccc(Cl)cc2C)cc1,0
+Cc1ccccc1C(CC(=O)Nc1cccc2c1CCCC2)NC(N)=O,0
+CC(CC[NH+](C)C)NS(=O)(=O)c1c(NN)nc2sccn12,0
+Cc1nc2nc(-c3ccc(CN4CCC(c5n[nH]c(-c6cnccn6)n5)CC4)cc3)c(-c3ccc(F)cc3F)cn2n1,1
+CC1CC(C)C[NH+](CCNC(=O)NC(C)c2cccc(S(N)(=O)=O)c2)C1,0
+CCCCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2Cl)cc1Br,0
+O=C(NC(c1ccc(Cl)c(Cl)c1)C1CCNCC1)c1ccc2cnccc2c1,1
+CCCC(=O)Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,1
+Cc1n[nH]c2ccc(-c3nnc(NCC(N)Cc4cccc(Cl)c4)s3)cc12,1
+Cc1ccc(C2(C)NC(=O)N(CC(=O)NCC(c3ccccc3Cl)[NH+]3CCCC3)C2=O)cc1,0
+COCCNC(=S)NCC1CC2CC[NH+]1CC2C[NH+]1CCN(c2ccc(F)cc2)CC1,0
+COc1cccc(C2CC(c3ccc(Cl)cc3)=NC(C(C)C)[NH2+]2)c1O,0
+COC(=O)c1ccc(C2N=C(c3ccc(Br)cc3)CC(c3ccccc3O)[NH2+]2)cc1,0
+Cc1cccc(-c2nc(C3CN(Cc4ccc(-c5nc6nc(-c7ccccn7)nn6c(NC(C)C)c5-c5ccccc5)cc4)C3)n[nH]2)n1,1
+NC(=O)C1CCC([NH2+]Cc2sccc2Br)CC1,0
+CCCOC1CCC[NH+](C(c2cc(Br)cs2)C(C)N)C1,0
+CCSc1nc2n(n1)C(c1ccc(OCc3ccc(C(C)(C)C)cc3)cc1)C(C(N)=O)=C(C)N2,0
+Fc1ccc2[nH]c(C3CCN(Cc4ccc(-c5ncc(-c6nn[nH]n6)cc5-c5ccccc5)cc4)CC3)nc2c1,1
+CCCCCCc1cc2cc(C(N)=O)c(=[NH+]c3ccc(Br)cc3)oc2cc1O,0
+O=C(NC(c1nccs1)C1CCNCC1)c1ccc2cnccc2c1,1
+CC(NC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)c1cccc(S(N)(=O)=O)c1,0
+NC(=O)C(CC[NH+]1CCCC12CCCCC2)(c1ccccc1)c1ccccc1,0
+COc1ccc(C(CNC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)[NH+]2CCCCC2)cc1,0
+CC1CCc2c(sc(NC(=O)C[NH+]3CC(C)CC(C)C3)c2C(N)=O)C1,0
+CCOc1cc(C[NH+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)C2CC2)ccc1OC(F)F,0
+CC(Cc1ccc(O)cc1)NC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1,0
+Cc1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(OCCC(C)C)c(Br)c1,0
+CCc1ccc2c(c1)C1([NH2+]C(C(C)O)C3C(=O)N(CCCOC)C(=O)C31)C(=O)N2,0
+COc1ccc2c(c1)=[NH+]CC=2CCNc1nnc(-c2ccc(Cl)cc2)c(=O)n1N,0
+CCC(NC(=O)NCC(c1cccs1)[NH+]1CCCC1)c1cccs1,0
+CCOc1c(Br)cc(Br)cc1C[NH2+]C1CCCC(O)C1,0
+O=C(Cc1ccccc1F)NNC(=O)NCC[NH+]1CCc2sccc2C1,0
+Cc1nc(COc2ccc(C3NC(=[NH2+])Nc4nc5ccccc5n43)cc2)no1,0
+CCC([NH2+]C(C)c1ccccc1Br)c1cc(Br)ccc1O,0
+NC(=O)C1CCC[NH+]1Cc1ccccc1NC(=O)CCCCCc1cccs1,0
+CC[NH+](CCC(N)=NO)Cc1cc(Br)ccc1OC,0
+Cc1ccc(-c2cc3c4c(C)n(C)c(C)c4c(C)nn3c2)o1,0
+COc1cccc2cc(C(=O)Nc3ccc(F)cc3)c(=[NH+]c3sc4c(c3C#N)CCCC4)oc12,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)c2ccccc2C(F)(F)F)CC12CC[NH2+]CC2,0
+Cc1n[nH]c(C)c1C(C)NC(=O)C1CN(C(=O)C2(C)CCCCC2)CC12CC[NH2+]CC2,0
+CNC(=O)c1ccc(NC(=O)NC(C)C[NH+]2CC(C)CC(C)C2)c(C)c1,0
+COC(=O)C1[NH+]=c2ccc(Br)cc2=C1NC(=O)C[NH+]1CCN(c2cccc(OC)c2)C(C)C1,0
+CCC([NH3+])C(c1cc(Br)cs1)N1CCC(C(=O)NC)CC1,0
+CCOc1ccccc1NC(=O)Nc1cccc(C2C=c3cc(F)ccc3=[NH+]2)c1,0
+CC(C)(C)NC(=O)C1CC2CCCCC2C[NH+]1CC(O)C([NH3+])CSc1ccccc1,0
+CCC(c1nnnn1C1CCCCC1)[NH+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O,0
+CC(C(=O)Nc1cccc(Cl)c1Cl)[NH+]1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1,0
+N#Cc1c(N2C(=O)C3C4C=CC(C4)C3C2=O)sc2c1CCC2,0
+Cc1ccc(O)c(C[NH+]2CCN(Cc3cc(O)ccc3C)C2c2ccccc2)c1,0
+Cc1ccc(F)c([NH+]=c2oc3cc(O)ccc3cc2C(N)=O)c1,0
+CCCNC(=O)C[NH+](C)C(c1cc(Br)cs1)C([NH3+])CC,0
+Cn1c(=O)c(C(=O)C[NH+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c(N)n(Cc2ccccc2)c1=O,0
+CCC(C)C(NC(=O)C1Cc2ccccc2CN1)C(=O)NC(C)c1ccccc1,0
+COC(=O)C([NH2+]CC(=O)Nc1ccccc1I)C(C)C,0
+O=C(CN1CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1)NC(=O)NCc1ccccc1,0
+O=C(NC(=S)Nc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1)c1cccc(Cl)c1,0
+Cc1nn(-c2ccc(C(N)=[NH2+])c(C(F)(F)F)c2)c(C)c1Cl,0
+COc1ccc(Br)cc1C=C1Oc2c(C[NH+](CC(C)C)CC(C)C)c(O)cc(C)c2C1=O,0
+NC1(c2ccc(-c3nc4ccccn4c3-c3ccccc3)cc2)CCC1,1
+CCC([NH3+])C(c1ccc(Br)cc1)[NH+](CCOC)CCOC,0
+Nc1cc(=O)[nH]c(SC(C(=O)C2=c3ccccc3=[NH+]C2)c2ccccc2)n1,0
+CC(Sc1nc2ccccc2c(=O)n1CC[NH+](C(C)C)C(C)C)C(=O)NC(N)=O,0
+NC(=O)C[NH+]1CCCC(NCc2csc(-c3ccco3)n2)C1,0
+[NH3+]C(CSc1ccccc1)C(O)C[NH+]1CC2CCCCC2CC1C(=O)[O-],0
+O=C1N(CC2CCCCC2)CCCC1(O)C[NH2+]Cc1n[nH]c2c1CCC2,0
+CC(C)c1[nH+]c2cc(N)ccc2n1C1(C)CCS(=O)(=O)C1,0
+CC1=C(C(N)=O)C(c2ccc([N+](=O)[O-])cc2)N2NC(c3cccs3)=NC2=[NH+]1,0
+NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3c(F)cccc3-4)cc2)CC(O)(C2CC2)C1,1
+COc1cc(C2[NH2+]C(c3ccc(O)c(OC)c3)C(C)C(=O)C2C)ccc1O,0
+Cc1ccc(Br)cc1Nc1cc[nH+]c(C(N)=S)c1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2cc(Cl)ccc21,1
+NC(CC[NH+]1CCCCC1CCO)c1ccc(Br)cc1,0
+CC1CN(C(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c2ccccc21,1
+O=C(Nc1ccc(F)cc1)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+CC1=C(NC(=O)CCCC2=c3ccccc3=[NH+]C2)C(C)N(c2ccccc2)N1,0
+O=C(C=C1CSC(c2ccccc2)N1)NNC(=O)C1=c2ccccc2=[NH+]C1,0
+O=C(CC1CSc2nc3c(c(=O)n21)CCC3)N1CCCCCC1,0
+CC1(C(=O)N2CC(C(=O)NCc3cc4ccccc4[nH]3)C3(CC[NH2+]CC3)C2)CCCCC1,0
+CC(C)(C)c1ccc(-n2c(-c3cccnc3N)nc3cccnc32)cc1,1
+CN(Cc1csc(Br)c1)S(=O)(=O)c1cccc(N)c1,0
+O=C(CCCCCNC(=O)C1C=c2ccccc2=[NH+]1)NC1Nc2ccccc2S1,0
+NC(NCCCc1cccc(Br)c1)=[NH+]CC1CCCO1,0
+OC(c1cc(Nc2ccc(Cl)cc2)nc2ccccc12)C1CCCC[NH2+]1,0
+NC(Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3ccc(-c4ccccc4)cc23)CC1,1
+CCCCOc1ccc(Nc2[nH+]cnc(N3CCc4ccccc43)c2N)cc1,0
+CCCCC([NH3+])C(=O)N(CC(N)=O)Cc1ccc(Br)cc1,0
+CC(C)CNC(=O)NC(=O)CSC1NN=C(C2=c3ccccc3=[NH+]C2)N1C1CC1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2ccccc21,1
+CCN(CC)c1ccc(C=NN2C(=O)c3cccc4c(NC(CO)(CO)CO)ccc(c34)C2=O)cc1,0
+COc1ccc(N)c(C(=O)OC2CCCCNC2=O)c1,0
+CNC(=O)CC1C(=O)NCCN1c1nc(CC[NH3+])nc2sc(C)c(C)c12,0
+NS(=O)(=O)c1ccc(NC(=O)CCC2=c3ccccc3=[NH+]C2c2ccc(F)cc2)cc1,0
+Cc1ccc(S(=O)(=O)N2CC[NH+](C(C)C(=O)Nc3sccc3C(N)=O)CC2)c(C)c1,0
+COc1ccc(SC2CC(C(=O)N3CCC[NH+](C)CC3)[NH+](CC(Cl)=Cc3ccccc3)C2)cc1,0
+Cc1cn2c3c(=O)n(CC(C)C[NH+]4CCCC4)c(=O)n(C)c3nc2n1-c1ccc(Br)cc1,0
+O=C(NC1NNC(C(F)(F)F)S1)C1CC(=O)N(CCC2=c3cc(Cl)ccc3=[NH+]C2)C1,0
+COC(=O)CCNC(=O)C[NH+](C)C(C)c1ccc(S(N)(=O)=O)cc1,0
+COc1ccc2c(c1)=[NH+]C(=O)C(CN(CCc1ccccc1)S(=O)(=O)c1c(C)ccc3nsnc13)C=2,0
+COc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)[NH2+]C3(C)C)c1OC,0
+NC1(c2ccc(-c3nc4cc(C(=O)NO)ccn4c3-c3ccccc3)cc2)CCC1,1
+CC(CNS(=O)(=O)c1cc(N)cc(Cl)c1F)[NH+](C)C,0
+NC(=O)Cc1cccc(-c2c[nH+]c(N)c3c(-c4ccc(F)c(Cl)c4)csc23)c1,0
+Nc1nc(CSCC(=O)Nc2ccc(Br)cc2)nc(Nc2ccc(F)cc2)n1,0
+CC(C)CNC(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1,1
+[NH3+]CC(Sc1nccc(=O)[nH]1)c1ccccc1Br,0
+Cc1ccccc1Nc1nc(N)nc(C[NH+](Cc2ccccc2)Cc2ccco2)n1,0
+CCOc1ccc2c(c1)=[NH+]C(SCC(=O)NC1Nc3ccc(OC)cc3S1)[NH+]=2,0
+O=C(NCc1cc[nH+]c(N2CCCC2)c1)NCC(O)c1ccc2ccccc2c1,0
+Cc1ccc(CN(C(=O)C2CCCCC2)C(C(=O)NC(C)(C)C)c2c(Cl)cccc2Cl)o1,0
+CCOC(=O)C1[NH+]=c2ccc(OCC)cc2=C1NC(=O)CN1CC[NH+](CC=Cc2ccccc2)CC1,0
+CC(C)C(NC(=O)C1CN(C(=O)C2(C)CCCCC2)CC12CC[NH2+]CC2)C(=O)NC(C)(C)C,0
+O=C(CSC1NN=C(C2=c3ccccc3=[NH+]C2)N1C1CC1)NN1C(=O)NC2(CCCCC2)C1=O,0
+C[NH+](C)CCCCNc1ccc(NCCCC[NH+](C)C)c2c1C(=O)c1c(O)ccc(O)c1C2=O,0
+CC(=O)Nc1ccc(Cc2nc3cc(C(=O)NCCC4=c5ccccc5=[NH+]C4)ccc3[nH]2)cc1,0
+NC1(c2ccc(-c3c(-c4ccccc4)ccn4ncnc34)cc2)CCC1,1
+CC(CC#N)Sc1ccccc1NC(=O)NCCCCNc1cccc[nH+]1,0
+Cc1nc(-c2ccccc2)c(-c2ccc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2)[nH]c1=O,1
+CC(NC(=O)Cn1c(NCCO)[nH+]c2ccccc21)c1ccccc1,0
+CCOC(=O)c1cc(C(C)C)sc1NC(=O)C[NH+](C)CC(=O)Nc1cccc(C)c1C,0
+CSc1ccc(C2C(C#N)=C(N)Oc3cc(OC(=O)C(c4ccccc4)c4ccccc4)ccc32)cc1,0
+NC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3cccc(Cl)c3)cn2CCN2CCCC2)CC1,1
+CC(C)(C)OC(=O)NC(CC1=c2ccccc2=[NH+]C1)C(=O)OCC1OC(O)C(O)C(O)C1O,0
+CC1CCC(Oc2ccc(C(N)=[NH2+])c(C(F)(F)F)c2)CC1,0
+CCc1c(N)ncnc1N1CCC(c2nc(-c3cncc(Cl)c3)cn2CCN2CCC2)CC1,1
+CSc1ccc(C(Nc2cccc(C)[nH+]2)c2cc(C)sc2NC(=O)c2ccco2)cc1,0
+CC([NH2+]Cc1ccc(Br)s1)c1ccc(O)cc1O,0
+CC([NH3+])Cc1nc(C2CCCc3ccccc32)no1,0
+CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ncccc3-4)cc2)C1,1
+Cc1cccc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1F,1
+CCSC1(SCC)[NH+]=C(N)C2(C#N)C(c3ccccc3)[NH2+]C3=C(CCCC3)C12C#N,0
+CCC(=O)Nc1ccc(C(C)[NH2+]C(C)C(=O)NC(=O)Nc2ccc(C)cc2)cc1,0
+COc1ccc(C2C3C(=O)N(c4ccc(F)cc4)C(=O)C3N3CCCN23)cc1,0
+CCC(C)C(=O)N1CC(C(=O)NCc2ccccc2Sc2ccccc2CO)C2(CC[NH2+]CC2)C1,0
+CSc1cccc(N(C)C(=[NH2+])Nc2cc(SC)ccc2Cl)c1,0
+CCc1cccc2c1NC(=O)C21[NH2+]C(C(C)O)C2C(=O)N(CCc3ccccc3)C(=O)C21,0
+O=C(CCSc1n[nH]c(NN=Cc2cccc(O)c2)n1)Nc1ccc(Br)cc1,0
+NC(=O)C1C2=C(CCCC2)SC1NC(=O)CSc1nc(-c2cccs2)n[nH]1,0
+Cc1nc(N(C)C)cc(Nc2ccc(NC(=O)Nc3cccc(C)c3C)cc2)[nH+]1,0
+COc1cccc(C(O)C[NH+]2CCC3(CC2)CC(O)c2cc(O)ccc2O3)c1,0
+O=C(NCC1COc2ccccc2O1)NCC(C1=c2ccccc2=[NH+]C1)c1ccccc1,0
+CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)C=Cc2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)CC1,0
+C[NH+]1CCC(CNS(=O)(=O)c2cc(N)ccc2[N+](=O)[O-])C1,0
+Cc1ccc(SCC(=O)NNC(=O)NCCCC[NH+]2CCCCC2C)cc1,0
+CC(C)n1ccnc(Sc2nc3ccc(N)cc3[nH]2)c1=O,0
+C[NH+](CC(=O)NC(=O)NC(C)(C)C)CC(=O)Nc1c(Cl)cccc1Cl,0
+CCCOc1ccc(Br)cc1C[NH2+]CCS(N)(=O)=O,0
+CNC(=O)NC(=O)C[NH+]1CCN(S(=O)(=O)N2CCCCCC2)CC1,0
+CCN(c1cccc(C)c1)c1[nH+]cnc(Nc2nc3ccccc3s2)c1N,0
+CC(C)[NH+]1CCC(CNS(=O)(=O)c2ccc(N)cc2F)C1,0
+CC(C)(C)CC(C)(C)NC(=O)C(c1cc([N+](=O)[O-])ccc1Cl)N(C(=O)CO)c1cccc(Cl)c1,0
+NC(=O)C1CCCN(C(=O)CSC2NN=C(C3=c4ccccc4=[NH+]C3)N2C2CC2)C1,0
+NC(=[NH2+])SCc1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1,0
+O=C(C[NH+]1CCC(CCc2ccc(O)cc2)CC1)NC1CCCCNC1=O,0
+CC([NH3+])C(c1ccc(Br)cc1)N1CCN(CCO)CC1,0
+CC(c1ccco1)N1C(=O)c2cc(Br)ccc2S1(=O)=O,0
+Cc1ccc(NC(=O)COc2ccc(Br)cc2C[NH2+]CCCCCO)cc1,0
+COc1ccccc1C(=O)NC1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1,0
+CC(=NNc1nnc(SCC(=O)NCc2ccccc2)n1N)c1ccc(Br)cc1,0
+COc1ccc(CCNC2[NH+]=c3ccccc3=[NH+]C2=NS(=O)(=O)c2ccc(C)c(C)c2)cc1OC,0
+Cc1ccc(C2=NN(C(=O)C[NH2+]C(C)c3ccc(S(N)(=O)=O)cc3)C(c3cccs3)C2)o1,0
+CCn1c(C(C)[NH+]2CCN(C(=O)Nc3ccccc3C(F)(F)F)C(C)C2)nc2ccc(Cl)cc2c1=O,0
+CC1=C(NC(=O)CC2=c3ccccc3=[NH+]C2C)C(C)N(c2ccc(C)cc2)N1,0
+CC[NH+]1C(SCc2nc3ccccc3c(=O)[nH]2)NNC1c1ccccc1F,0
+CC(C)CC([NH2+]Cc1c(C(=O)N2CC(C)OC(C)C2)nc2ccc(Cl)cn12)C(N)=O,0
+NC(CNc1ncc(-c2ccc3c(c2)CCC(=O)N3)s1)Cc1ccc(C(F)(F)F)cc1,1
+CCC(C)N1C(=O)NC(=O)C(C2C3[NH+]=c4ccccc4=C3CCN2C)C1O,0
+CC1CCC[NH+](C(C)(C)CNC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1,0
+Nn1c(SCC(=O)Nc2ccccc2SCc2ccccc2)nnc1-c1ccccc1O,0
+CCc1ccc(C2=NC(C)(CC(C)C)[NH2+]C(c3cc(Br)ccc3O)C2)cc1,0
+C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)CC1,0
+CC([NH3+])C(OCC1CCCCO1)c1ccc(Br)s1,0
+O=C(C1CC=CCC1C(=O)N1CCN(c2c(Cl)cncc2Cl)CC1)N1CCN(c2cccc[nH+]2)CC1,0
+CCCC(=O)Nc1ccc(CNC(=O)C[NH2+]C(C)c2ccccc2Cl)cc1,0
+Nc1ncccc1-c1nc2cc(C3CCCC3)cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,1
+Clc1ccc(C(NC2CCCCC2)c2ccc(-c3ncnc4[nH]cnc34)cc2)cc1,1
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1c2ccccc2CC1c1ccc(F)cc1,1
+NCC(C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)s1)c1ccccc1,1
+Cc1ccc(S(=O)(=O)NCC([NH3+])CC(C)C)c(Br)c1,0
+COc1ccccc1NC(=O)c1c(NC(=O)C[NH2+]CC(C)C)sc2c1CCCC2,0
+O=C1CC2OC(c3cccs3)C3=C(C(=O)c4ccccc4C3=O)C2O1,1
+CCOc1cc(C(N)=S)cc(Br)c1OCC[NH+](CC)CC,0
+CCOc1cc(C[NH2+]C(CC)CO)cc(Br)c1OCC(N)=O,0
+COc1ccc(OC)c(NC(=O)C(=O)NCC(c2ccc(N(C)C)cc2)[NH+]2CCCC2)c1,0
+O=C1CC(CSC2N[NH2+]NN2c2ccccc2)=NN1c1ccc(Cl)cc1,0
+NS(=O)(=O)c1ccc(CC[NH2+]CC(O)COC2CCCc3ccccc32)cc1,0
+COc1cccc(N2CCC([NH+]3CCN(c4cc(N)cc[nH+]4)CC3)CC2)c1,0
+COCC[NH+](C1CC1)C(c1ccc(Br)s1)C(C)N,0
+CCCC(C)C(=O)N1CC(C(=O)NCc2c(OC)cc(OC)cc2OC)C2(CC[NH2+]CC2)C1,0
+CC(=O)NC1Nc2ccc(C(=O)NCCC3=c4cc(Cl)ccc4=[NH+]C3)cc2S1,0
+CC1=NC(CC[NH2+]CC2CN(c3ccc(F)cc3)NC2c2ccccc2Cl)N=C1,0
+Cc1cccc(-n2c(C)cn3c4c(=O)n(CC(C)C[NH+]5CCc6ccccc6C5)c(=O)n(C)c4nc23)c1,0
+CC(=O)c1cccc(NC(=O)Nc2c(O)oc3ccccc3c2=[NH+]C2CCCCC2)c1,0
+COC(=O)C1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CC(C)(C)C2)C1c1ccc(Cl)cc1,0
+CN(Cc1cc(Br)cs1)C(C[NH3+])c1cc(Br)cs1,0
+CCCC[NH+](C)Cc1c(-c2ccc3c(c2)NC(=O)CO3)nc2ccc(N)cn12,0
+CCC(C)C(NC(=O)C1CCN(C(=O)C([NH3+])CC2=c3ccccc3=[NH+]C2)CC1)C(=O)[O-],0
+O=C(CNc1ccccc1[NH+]1CCC(O)CC1)Nc1ccc(Br)cc1,0
+Cc1ccc(S(=O)(=O)N2CCCC2C(=O)N2CC[NH+](CC(=O)Nc3cccc(C)c3C)CC2)cc1,0
+Cn1c(CC(=O)Nc2ccc(F)c(C3CC3)c2)nc(N2CCOCC2)cc1=O,1
+Cc1cccc(-n2c(=O)c3ccccc3n(C(C)C(N)=O)c2=O)c1C,0
+[C-]#[N+]COc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1,1
+CN(C)C(=O)C1CCC[NH+]1CCCNC(=O)NNC(=O)CCC1CCCCC1,0
+Nc1n[nH]c2cccc(-c3ccc(Br)cc3)c12,1
+CCCN1CCCCC1c1cccc2c1CCN2C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+N#Cc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1,1
+CCOc1cccc2cc(C(=O)Nc3cccc(C)c3)c(=[NH+]c3ccc(S(N)(=O)=O)cc3)oc12,0
+C[NH+]1CCN(c2nc3ccc(NC(=O)C4CCCN4S(=O)(=O)c4ccc(F)cc4)cc3s2)CC1,0
+CCN1CCN(C(=O)CC2CC[NH+](C(C)C(=O)NC(=O)NC)CC2)CC1,0
+O=C(Nc1ccc(Br)cc1Cl)C1CC(O)C[NH2+]1,0
+CC1SCc2ncnc(N3CCN(C(=O)C(Cc4ccc(Cl)c(F)c4)CC4(N)CC4)CC3)c21,1
+CN(C)c1[nH+]cccc1CNC(=O)N1CCCC(CCC(N)=O)C1,0
+c1ccc2c(c1)Nc1ncccc1-n1c(-c3ccc(CN4CCOCC4)cc3)nnc1-2,1
+CC(=O)c1ccc(S(=O)(=O)NC2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1,1
+CC(c1ccc(-n2cncn2)cc1)[NH+](C)CCC(=O)NC(N)=O,0
+CCC([NH3+])C(c1cc(Br)cs1)[NH+]1CCCCC1C(N)=O,0
+CCc1nn(-c2cccc(C)c2)c(N2CC[NH+](C)CC2)c1C[NH+](Cc1ccc(C(C)C)cc1)C(C)C,0
+COc1ccc2c(c1)SC(NC(=O)CSC1[NH+]=c3ccc(C)cc3=[NH+]1)N2,0
+CCOC(=O)Nc1cccc(NC(=O)NC(C)C[NH+]2CC(C)CC(C)C2)c1C,0
+CCC(=O)Nc1ccc(C(C)[NH2+]C(C)C(=O)NC(=O)Nc2ccc(C)cc2)cc1,0
+c1ccc2c(c1)Nc1ncccc1-n1c(-c3ccc(CN4CCN(Cc5ccncc5)CC4)cc3)nnc1-2,1
+CC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccccn1,1
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1c2ccccc2CC1c1ccccc1,1
+NC(=S)NNC(=O)c1cc2ccccc2cc1O,0
+CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1cc(CSc2nnc(N)s2)cs1,0
+CNc1nc2nc(-c3ccc(CN4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)c(-c3ccccc3)cn2n1,1
+CC(C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[NH+](C(C)C(=O)NC2CC2)CC1,0
+CCN(c1ccccc1)S(=O)(=O)c1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1,0
+CCCCNC(=O)NC(=O)C[NH+](CC)CC(=O)Nc1c(Cl)cccc1Cl,0
+CCOc1ccccc1NC(=O)Nc1cc(C)cc2c1=[NH+]C(C(=O)N1CCOCC1)C=2c1ccccc1,0
+Cc1ccc(NCC(=NN(C(=O)C(=O)c2ccccc2)c2ccccc2)c2ccccc2)cc1,0
+Cc1sc(NC(=O)C([NH3+])C(C)C)c(C#N)c1C,0
+O=C(C1CCCN(C(=O)C2CC=CS2)C1)N1CC=C(C2=c3cccnc3=[NH+]C2)CC1,0
+COc1ccc(C(N)=O)cc1NC(=O)NCCSCc1ccccc1F,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1ccc(F)cc1Br,1
+NC(CNc1ncc(-c2ccc3c(c2)CNC3=O)s1)Cc1ccc(C(F)(F)F)cc1,1
+CC(C)[NH+]1CCc2c(sc(NC(=O)c3ccc4c(c3)OCO4)c2C(N)=O)C1,0
+COc1ccc(C2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)C3c2cccc([N+](=O)[O-])c2)cc1,0
+CSC1=Nc2sc3c(c2C(NCCCO)N1)CC(C)(C)OC3,0
+Cn1cc[nH+]c1CCNC(=O)NCCNc1cccc(F)c1C#N,0
+Cc1ccc(OCCN(C)C(=O)Nc2cccc(C[NH+]3CCCC3C(N)=O)c2)cc1,0
+COC(=O)Nc1cc(NC(=O)NCC(C)(C)[NH+]2CC(C)CC(C)C2)ccc1F,0
+CC1c2cc3c(cc2OC(=O)C1CC(=O)NCCC1=c2cc(Cl)ccc2=[NH+]C1)OC(C)(C)CC3,0
+Cc1cc(OCC(N)=O)ccc1NC(=O)C(=O)NC(C)CC[NH+](C)C,0
+Cc1cc(-c2cn[nH]c2)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+COc1cc(C(C[NH3+])N2CC[NH+](C)CC2)cc([N+](=O)[O-])c1[O-],0
+Cc1n[nH]c2ccc(-c3cc(OCC(N)Cc4ccccc4)cnc3-c3ccc[nH]3)cc12,1
+C[NH2+]C(c1cc2[nH]c(=O)[nH]c2cc1Br)C1CCOCC1,0
+CCOc1cc(CC(C)[NH3+])cc(Br)c1OCCC(=O)NC,0
+CC(C)COc1ccc(C(O)CC[NH+]2CCCCC2C)cc1N,0
+CCCCCc1ccc(S(=O)(=O)N2CCCN(c3[nH+]cc(C(F)(F)F)cc3Cl)CC2)cc1,0
+CC[NH+]1CCC(CNS(=O)(=O)c2cc(Br)cnc2NN)C1,0
+CC(C)c1ccc(C[NH+](C)CC(=O)Nc2ccccc2SCC(N)=O)cc1,0
+[NH3+]C(c1ccccc1)C(NS(=O)(=O)c1ccc(O)cc1)c1ccccc1,0
+CC([NH2+]Cc1ccc(S(N)(=O)=O)cc1)c1ccc(Br)s1,0
+COc1ccc(OC)c(C=NNC(=O)C2Cc3c([nH]c4ccccc34)C[NH2+]2)c1,0
+NC1(c2ccc(-c3nn4ccccc4c3-c3ccccc3)cc2)CCC1,1
+CC1CC(C(=O)NCC2CCCOC2)CCC1[NH3+],0
+N#CC1(C#N)C(C#N)(C#N)C1(CCl)CCl,0
+CCOc1ccccc1CCNC(=O)C1CN(C(=O)C2(C)CCCCC2)CC12CC[NH2+]CC2,0
+CSC1=CC2CC3COP(=O)(c4ccccc4O)N[NH+]3CC2C=C1c1ccccc1O,0
+CCOc1ccc(NC(=O)CSc2nnc(NN=Cc3cc(Br)ccc3O)n2N)cc1,0
+CC([NH2+]CC(=O)N1N=C(c2cc3ccccc3o2)CC1c1ccco1)c1ccc(S(C)(=O)=O)cc1,0
+O=C(CC1C(=O)NCC[NH+]1CCc1ccccc1)NCC1(O)CCCCC1,0
+CCOC(=O)Nc1cccc(NC(=O)NC(C)C[NH+]2CC(C)CC(C)C2)c1C,0
+COc1ccc(C2CC(c3cccs3)=NN2C(=O)CSc2[nH]c(=O)nc(C)c2C#N)cc1OC,0
+COc1ccc(C=NNC(=O)C2=C(C)NC(=S)NC2c2ccc(Cl)cc2Cl)c(OC)c1,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12,1
+CCCC[NH+]1Cc2cccc(NC(=O)C3CCC4(CC3)NC(=O)NC4=O)c2C1,0
+C=C(NNC(=O)C[NH+]1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1cccc(O)c1,0
+COc1ccc(S(=O)(=O)N2CCC3=c4ccccc4=[NH+]C3C2c2ccc(SC)cc2)cc1Cl,0
+CC([NH2+]CC1(c2ccc(F)cc2)CCOCC1)C(=O)Nc1ccccc1C(C)C,0
+CCN(CC)c1ccc2cc(C(=O)Nc3ccccc3F)c(=[NH+]c3ccc(S(N)(=O)=O)cc3)oc2c1,0
+CCC([NH3+])C(c1cccc(Br)c1)[NH+](CC)CC1CCCO1,0
+Cc1nc(N)nc2c1cc(-c1cnn(C)c1)c(=O)n2C1CCC(OCC(N)=O)CC1,1
+CC(C)C([NH2+]Cc1ccc(Br)s1)C(=O)NC(C)(C)C,0
+CC(C)[NH2+]C(C)(CCSc1ccc(Br)cc1)C(N)=O,0
+NCC(CNc1ccc(-c2ccnc3[nH]ccc23)s1)c1ccccc1,1
+NC1(c2ccc(-c3ncc4ccncc4c3-c3ccccc3)cc2)CCC1,1
+CCCCC(C)C(=O)N1CC(C(=O)NC(C)CCCC(C)(C)O)C2(CC[NH2+]CC2)C1,0
+CCC([NH3+])C(OCCc1scnc1C)c1ccc(Br)s1,0
+CNC(=O)C(C)(C)[NH2+]CC1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O,0
+c1ccc2c(c1)Nc1ncccc1-n1c(-c3ccc(C4CCCN4)cc3)nnc1-2,1
+Cc1ccc(S(=O)(=O)N2CC[NH+](C(C)C(=O)Nc3sccc3C(N)=O)CC2)c(C)c1,0
+Nc1cc2cc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)ccc2cn1,1
+CC([NH3+])C(c1cccc(Br)c1)N1CCCC1CCCO,0
+O=C(NC(c1ccc(Cl)c(Cl)c1)C1CCNCC1)c1ccc2cnncc2c1,1
+COc1cc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCC(C)C3)cc(OC)c1OC,0
+Cc1cc(S(=O)(=O)N2CCC(Cn3cc(C[NH3+])nn3)CC2)c(C)s1,0
+CC(C)(C)C(=O)Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,1
+C=CCNC(=O)NC1C2COC(O2)C([NH+](CC)CC)C1O,0
+CC(=NNc1nc(SCC(=O)NC2C3CC4CC(C3)CC2C4)n[nH]1)C12CC3CC(CC(C3)C1)C2,0
+COc1cccc(C2C3[NH+]=c4ccccc4=C3CC3C(=O)N(CCC4=CCCCC4)CC(=O)N32)c1OC,0
+CCOc1ccc(C(C)[NH2+]Cc2ccc(O)c(Br)c2)cc1,0
+[NH3+]C1CCCCCC1Nc1ccc(S(=O)(=O)C(F)F)cc1,0
+N#Cc1ccc(-c2cncc(OCC(N)Cc3c[nH]c4ccccc34)c2)cc1,1
+COC(=O)c1ccc(OC(=O)c2oc3c(c2C)C(=NNC(N)=[NH2+])CC(C)(C)C3)cc1,0
+C=CC[NH2+]CC(=O)N=c1[nH]c(-c2ccccc2)cn1-c1ccc(F)c(Cl)c1,0
+NC(=O)C1C2=C(CCCC2)SC1NC(=O)CC1=c2ccccc2=[NH+]C1,0
+NC(CNc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,1
+C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NNc2ccccc2Cl)c1,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)c2ccc(-c3ccccc3F)o2)CC12CC[NH2+]CC2,0
+NC(=O)C[NH+]1CCCC(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1,0
+CC(C)C(C(=O)NC1CCCCC1O)C(N)=NO,0
+Cn1ncc(Br)c1-c1ccc(C(=O)NC2CNCCC2c2ccc(F)c(F)c2)cc1,1
+Nc1nc(=O)n(C2CSC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O2)cc1F,0
+O=C(NNC(=O)c1ccccc1)C1=NOC(CNc2[nH+]cc(C(F)(F)F)cc2Cl)C1,0
+CN(C(=O)c1ccc(=O)n(C)c1)c1ccccc1,0
+Cn1c(=O)[nH]c2ccc(-c3cnc(NCC(N)Cc4ccc(C(F)(F)F)cc4)s3)cc21,1
+OCC#Cc1ccc(CNC2CCC[NH+](CC3CCCCC3)C2)s1,0
+CCOc1cccc(C2CC(c3ccc(Br)cc3)=NC(c3ccc(C(=O)OC)cc3)[NH2+]2)c1O,0
+CSc1ccc(C2C3[NH+]=c4ccccc4=C3CCN2S(=O)(=O)c2c(C)cc(C)cc2C)cc1,0
+NC1(c2ccc(-c3nc4ccc(C(=O)O)cn4c3-c3ccccc3)cc2)CCC1,1
+COC(=O)c1ccc2c(=O)[nH]c(CSC3NNC(c4ccccc4)[NH+]3C)nc2c1,0
+Cc1cc(C(=O)N2CC(C(=O)NC(C(=O)NC(C)(C)C)C(C)C)C3(CC[NH2+]CC3)C2)c(C(F)(F)F)o1,0
+CCC[NH+]1CCN(C(C[NH3+])c2cc(Br)ccc2OC)CC1,0
+O=C1COc2ccc(Cc3cc(=O)n4nc(C5CCC5)cc4[nH]3)cc2N1,0
+O=S(=O)(c1cccc2cnccc12)N1CCCNCC1,1
+Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,1
+CC1CC[NH+](C(C)CNC(=O)CCCCC2SCC3NC(=O)NC32)CC1,0
+O=C(N1CCN(c2ncnc3[nH]nc(Br)c23)CC1)C1(c2ccc(Cl)cc2)CCNCC1,1
+CC(SCC(=O)Nc1ccc(F)cc1)C(=O)NCC(C)(C)[NH+](C)C,0
+Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCC1CC[NH+](C(C)C)C1,0
+NC(CNc1nnc(-c2ccc3[nH]ncc3c2)s1)Cc1ccc(C(F)(F)F)cc1,1
+Cc1ccc(-c2cc(-c3nnc(SCC(=O)Nc4c(C)cccc4C(C)C)n3N)n[nH]2)cc1,0
+Brc1ccc(N2C(SCc3nc4ccccc4[nH]3)NNC2c2cc[nH+]cc2)cc1,0
+Cc1cc(S(=O)(=O)N2CCN(C3=CC=CC4N=CC=C34)CC2)c(Cl)cc1Cl,0
+Nc1ncccc1-c1nc2cccnc2n1-c1ccc(NC(=O)c2ccccc2)cc1,1
+CCC(C)(C)NCCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2C#N)CC1,1
+COc1cc(CCNC(=O)C2CN(C(=O)c3sccc3C)CC23CC[NH2+]CC3)cc(OC)c1,0
+COC(=O)c1ccccc1NC(=S)NC(NC(=O)c1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl,0
+CCCCOc1cccc(C(=O)Nc2sc3c(c2C#N)CC(C)(C)[NH2+]C3(C)C)c1,0
+CCCCCCNC(=O)C1CN(C(=O)c2ccc(C(F)(F)F)cc2)CC12CC[NH2+]CC2,0
+C[NH+](C)CCCN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc2c(F)cc(F)cc2s1,0
+O=C(NC1NNC(C(F)(F)F)S1)C1CC(=O)N(CCC2=c3cc(Cl)ccc3=[NH+]C2)C1,0
+COc1cccc2c1OCn1c-2nc(-c2ccc(C3(N)CC(O)(C4CC4)C3)cc2)c1-c1ccccc1,1
+[NH3+]CC1CCCC(C(=O)N2CCC(O)C2)C1,0
+Clc1ccc(C(NC2CCCCC2)c2ccc(-c3ccncc3)cc2)cc1,1
+CC1CCN(C2=NN3C(=[NH2+])C(=Cc4ccc(O)cc4)C(=O)N=C3S2)CC1,0
+CC(C)C(C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)[NH+]1CCCC1,0
+CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCc3sccc3C1C)C2=O,0
+CC(C)CC(CO)[NH2+]Cc1ccc(OCCO)cc1Br,0
+[NH3+]CCC(=O)N1CCN(CC(=O)N=c2[nH]ccs2)CC1,0
+CC(C)Oc1cccc(C2N=[NH+]C(=S)N2N=Cc2cc(Br)cc(Br)c2O)c1,0
+CC1CC[NH+](CCCCNC(=O)NNC2(C)CCS(=O)(=O)C2)CC1,0
+CCCCOc1ccc(NC(=O)NCC(c2ccc(N(C)C)cc2)N2CC[NH+](C)CC2)cc1,0
+Cc1ccc(CN(C(=S)Nc2ccc(C)c(C)c2)C2CC(C)(C)[NH2+]C(C)(C)C2)o1,0
+CC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(C(C)C)cc1,0
+CCOc1ccc(NC(C)C(=O)NN=Cc2cc(Br)cc(Br)c2O)cc1,0
+Cc1ccc(C(=O)N2CC(C(=O)NC(C)CCCC(C)(C)O)C3(CC[NH2+]CC3)C2)cc1,0
+CC1CN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CCN1,1
+CCCC(NC(=O)CCc1ccccc1OC)C(=O)NC1[NH+]=c2ccccc2=[NH+]1,0
+Cc1cc[nH+]c(NC(c2ccncc2)c2cc(Cl)c3cccnc3c2O)c1,0
+CNC(=O)NC(C)(C)C(=O)NCC(c1cccs1)[NH+]1CCCC1,0
+CCc1ccc(C(C)NC(=O)C[NH+](Cc2ccc(C(N)=O)cc2)C2CC2)cc1,0
+O=C(NNC(=O)c1cc2ccccc2cc1O)c1ccc(-c2c[nH+]co2)cc1,0
+CC[NH+](CC)CC(C)NS(=O)(=O)c1c(Cl)cc(N)cc1Cl,0
+COc1c2c(cc3c1C(C#CCn1c4c(c(=O)c5ccccc51)CCCC4)N(C)CC3)OCO2,0
+CC(C)C(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)OCC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O,0
+Nc1nc(=O)n(C2CSC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O2)cc1F,0
+NCCNC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,1
+COc1ccc(O)c(C=NNc2nc(SCC(=O)Nc3nc4ccc(OC)cc4s3)n[nH]2)c1,0
+CCOc1ccccc1NC(=O)c1cc(C(=O)c2cc(Br)ccc2O)coc1=[NH2+],0
+C[NH+](C)CCC1CCN(C(=O)Nc2ccccc2SCC(N)=O)CC1,0
+COc1ccccc1NC(=O)C(C)[NH2+]C(C)c1ccc(S(N)(=O)=O)cc1,0
+Cc1nc(-c2ccc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2)c(-c2ccccc2)[nH]c1=O,1
+NC(CCc1nc(-c2ccc3cnccc3c2)no1)Cc1ccc(C(F)(F)F)cc1,1
+O=C(CC1CCS(=O)(=O)C1)Nc1ccc(Cl)cc1C(=O)[O-],0
+Cc1cc(-c2cn(CC3CNC3)c(C3CCN(c4ncnc(N)c4C(C)C)CC3)n2)ccc1F,1
+CCOc1cc(C[NH2+]CCNCC(C)O)cc(Br)c1OC,0
+O=C(Nc1cc(Cl)cc(Cl)c1)N1CCN(C(=O)C2CCCO2)CC1,0
+CC(C)NC(=O)NCC1OC(CC(=O)NCC[NH+](C)C)C(O)C1O,0
+O=C(NCc1ccc(F)c(F)c1)C1CSCC(c2ccc(F)c(F)c2)[NH2+]1,0
+CN1CC(C(NC(=O)c2ccc3cnccc3c2)c2ccc(Cl)c(Cl)c2)C1,1
+CC1CN(c2ccc(CNC(=O)Nc3ccccc3CC(N)=O)c[nH+]2)CC(C)O1,0
+COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)C(C)[NH+]1CCN(c2cccc(C)c2C)CC1,0
+Cc1ccc(C(C)NS(=O)(=O)c2ccc(C(C)[NH3+])cc2)s1,0
+NC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3ccsc3)cn2CCN2CCC2)CC1,1
+O=C(CCNC1=NS(=O)(=O)c2ccccc21)NCC(c1ccccc1Cl)[NH+]1CCCC1,0
+COc1ccc(C(=O)C2C3C4COC(O4)C(=O)C3C3C=Cc4ccccc4N32)cc1,0
+Cc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)C(=O)NCC[NH+](C)C,0
+CC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(F)cc1,1
+O=C(NCC1CCCO1)C1C[NH2+]CC1C(=O)NC1CCc2ccccc21,0
+[O-]c1c(Cl)cc(Cl)cc1C=[NH+]C1CCCCC1[NH+]=Cc1cc(Cl)cc(Cl)c1O,0
+NCCNC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,1
+CC(CN1CC[NH+](C)CC1)NC(=O)NCC1(O)CCCc2ccccc21,0
+CCSC1(SCC)[NH+]=C(N)C2(C#N)C(c3ccccc3)[NH2+]C3=C(CCC3)C12C#N,0
+CCN(C(=O)C[NH+](C)C(C)c1ccc(F)c(F)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,0
+C[NH2+]CC1CCCCN1CCC(=O)NC(N)=O,0
+C#Cc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1,1
+CCN1C(=O)NC(c2cccc(Oc3ccccc3)c2)C2=C1CN(C(CC(C)C)C(=O)N(C)C(C)C)C2=O,0
+NCC(Cc1ccncc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,1
+CC(C)OC(=O)c1ccc(NC(=O)C[NH+](C)C(C)c2ccc(S(N)(=O)=O)cc2)cc1,0
+CC1CCC2C(CCCN2C(=O)C2CCCN2C(=O)c2ccco2)C1,0
+COc1ccc(Nc2nc(N)nc(CN3CC[NH+](C=Cc4ccccc4)CC3)n2)cc1,0
+NC(=O)c1c(NC(=O)C[NH+]2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)sc2c1CCC2,0
+Oc1c(Br)cc(C=N[NH+]=C(Nc2ccccn2)c2ccccn2)c(O)c1Br,0
+Cn1ccc(S(=O)(=O)NC2(c3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CCC2)n1,1
+CNC(=O)C(C#N)=NN=C1[NH+]=CNC1C(=O)Nc1ccccc1C,0
+Oc1ccccc1C(CCN1CC[NH+](CCC(c2ccccc2)c2ccccc2O)CC1)c1ccccc1,0
+COc1ccccc1NC(=O)C(C)[NH2+]C(C)c1ccc(S(N)(=O)=O)cc1,0
+CC(=O)Nc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc(C(=O)N2CC[NH+](C)CC2)c1,0
+CC[NH+](CC)CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2C1c1ccc(Cl)c(Cl)c1,0
+CC(=O)N(Cc1ccccc1)C1NC(C)=C(C(=O)NC2[NH+]=c3ccccc3=[NH+]2)S1,0
+COc1cc2c(cc1OC)C(c1c(O)nc(O)n(-c3ccccc3Cl)c1=O)[NH2+]CC2,0
+O=C(CCC1CNC(=O)C2CC([NH2+]Cc3ccc(F)cc3)C[NH+]12)NCc1ccc(F)cc1,0
+Cc1cc(C[NH+](C)CC(=O)Nc2cccc(S(N)(=O)=O)c2)cc(C)c1OCC(F)(F)F,0
+COc1ccc2cc(C(=O)Nc3ccccc3F)c(=[NH+]NS(=O)(=O)c3ccc(C)cc3)oc2c1,0
+Cc1ccc(C(CN2CCOCC2)[NH2+]Cc2cc(C)c(O)c(C)c2)cc1,0
+CCCCn1nc(C)c(C2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)c1Cl,0
+C[NH+](CCc1ccc(F)cc1)CC(=O)Nc1ccc(S(N)(=O)=O)cc1,0
+CCCC(NC(N)=O)C(=O)NCc1ccccc1C[NH+]1CC(C)CC(C)C1,0
+Cc1ccc(C2CSCC(C(=O)NCC3CCC4CC3C4(C)C)[NH2+]2)cc1,0
+CCS(=O)(=O)NCCCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1,0
+CCn1c(-c2nonc2N)nc2cncc(C(=O)NCCNC)c21,1
+CC(C)COC(=O)c1ccc(Nc2[nH+]cnc(N(Cc3ccccc3)c3ccccn3)c2N)cc1,0
+CC(C)COc1ccc(C(=O)NC(CC2=c3ccccc3=[NH+]C2)C(=O)NN)cc1,0
+NC(=O)CCN(C(=O)C[NH+]1CCCC(C(=O)NC2CC2)C1)c1ccc(F)cc1,0
+CC[NH2+]CCNS(=O)(=O)c1c(F)cc(F)cc1Br,0
+CC(=O)c1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1,1
+Cc1ccsc1C(=O)N1CC(C(=O)NCCCn2cc[nH+]c2)C2(CC[NH2+]CC2)C1,0
+Nc1ccc(C(=O)N2CC[NH+](CC(=O)Nc3ccccc3Cl)CC2)cc1[N+](=O)[O-],0
+Nc1c2c(-c3ccc(F)c(Cl)c3)nc(NCC[NH+]3CCCC3)nc2nn1-c1ccc(Cl)cc1,0
+CC1Cc2c(ccc(F)c2Cl)N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+CC1CC(C)C[NH+](CC(C)NC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)C1,0
+C[NH+](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC(=O)NC1CCOc2ccccc21,0
+CCC(C)NC(=O)CCNC(=O)Nc1ccc[nH+]c1N1CCCC1,0
+CC(C)C(NC(=O)C[NH+]1Cc2ccccc2CC1C(N)=O)c1ccc2c(c1)OCCCO2,0
+CNC(=O)C1CCN(c2cnc(C(=O)Nc3csc(-c4nncn4C4CC4)n3)cc2-n2cnc(C3CC3)c2)CC1,1
+CCOC(=O)C1(Cc2ccc(O)cc2)[NH2+]C(c2ccc(O)cc2)C2C(=O)N(c3ccccc3)C(=O)C21,0
+Cc1nn(-c2cc3nc[nH]c(=O)c3cc2N)c(C)c1Br,0
+CCCCCOC(=O)CSc1ncnc2c1sc1[nH+]c(N3CCOCC3)c3c(c12)CC(C)(C)OC3,0
+CCOC(=O)CC1CCN(C(=O)NC2CCCCC2)CC1CC[NH+]1CCCC1C(N)=O,0
+CC([NH3+])C(c1ccccc1Br)[NH+](CCCO)C(C)C,0
+Cc1ccc(-n2nc(C)cc2NC(=O)C[NH2+]C(C)c2ccc(F)cc2F)cc1,0
+c1ccc(-c2cc3cnc(N4CCOCC4)nc3nc2-c2ccc(CN3CCC(c4nnc(-c5ccccn5)[nH]4)CC3)cc2)cc1,1
+CC([NH2+]C(C)c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(S(N)(=O)=O)c1,0
+CC1CC[NH+](CC(O)CN2CCC(C(O)c3ccc(Cl)cc3)CC2)CC1,0
+CCOC(=O)c1c(NC(=O)C2CCCN2S(=O)(=O)c2cccs2)sc2c1CC(C)(C)[NH2+]C2(C)C,0
+CCC(C)c1ccc(C(NC(=O)C[NH+](C)CC(N)=O)c2cccs2)cc1,0
+O=C1CC2(CC(c3ccc(Cl)cc3)=NO2)C(=O)N1c1ccc(F)cc1,0
+Cc1cc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4OC(C)C)CC3)n2)ccc1F,1
+CNC(=O)C(C)[NH2+]C(C)(C(=O)[O-])c1ccc(F)c(Br)c1,0
+CC[NH+](CC(O)COC(c1ccc(F)cc1)c1ccc(F)cc1)CC(O)c1cccc(O)c1,0
+COc1ccc(Cl)cc1NC(=O)C(C)[NH2+]C1CCc2ccccc21,0
+CC1(C)CC(N=CC2C(=O)N(c3nc4ccccc4s3)N=C2CSc2ccc(Cl)cc2)CC(C)(C)[NH2+]1,0
+CC1CCC(NC(=O)C(CC2=c3ccccc3=[NH+]C2)NC(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1,0
+C[NH+](C)C1CCN(Cc2cc(C(N)=S)ccc2F)CC1,0
+NC(=O)C(c1ccc(Br)cc1F)N1CCC[NH2+]CC1,0
+CCC([NH3+])C(c1cc(Br)cs1)N(C)Cc1ccc(Cl)s1,0
+CC(C)(C)NC(=O)C[NH+]1CCN(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)CC1,0
+NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2nc[nH]c3nccc2-3)CC1,1
+CCc1cc2c(cc1C1CSCC(C(=O)N3CCN(Cc4ccccc4)CC3)[NH2+]1)C(C)(C)CCC2(C)C,0
+O=C1C(=Cc2ccccc2F)CNCC1=Cc1ccccc1F,1
+Nc1nc(NCC2CCC[NH+]2Cc2c(Cl)cncc2Cl)cc2nc(-c3ccco3)nn12,0
+CC(CCSc1ccc(Br)cc1)([NH2+]C1CC1)C(N)=O,0
+CC(c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC(=O)NC1CCCCCC1,0
+CNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc3[nH]c(C)c(C)c3c2)c(C)c1,0
+Cc1nc(N(C)C)cc(Nc2ccc(NC(=O)Nc3ccc(C)c(F)c3)cc2)[nH+]1,0
+CCC(CC)NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)=[NH+]C(=O)[NH+]=3)cc1,0
+CCOC(=O)C1=C(C[NH+]2CCCCC2CO)NC(=O)NC1,0
+S=C(NCc1ccc2c(c1)=C1CCCCC1[NH+]=2)NC1CCCCC1,0
+CN(C)c1cccc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1,1
+COc1cc(C[NH2+]C2CCc3cc(Cl)ccc32)cc(Cl)c1OCC(N)=O,0
+O=c1cc(CO)oc(C(Nc2cccc[nH+]2)c2ccccc2Cl)c1O,0
+NC(CNc1ncc(-c2ccc3[nH]c(=O)sc3c2)s1)Cc1ccc(C(F)(F)F)cc1,1
+CC(C(=O)Nc1sccc1C(N)=O)[NH+]1CCN(S(=O)(=O)c2cccs2)CC1,0
+C[NH+](C)CC(=O)Nc1cccc(CNC(=O)Nc2ccc(F)cc2F)c1,0
+NC(=O)C(SC1NN=C(C2=c3ccccc3=[NH+]C2)O1)c1ccc(F)cc1,0
+FC(F)Oc1ccccc1C[NH+](CC1CC[NH+](C2CCCC2)CC1)CC1CCCO1,0
+CCCCC(C)C(=O)N1CC(C(=O)NCCCO)C2(CC[NH2+]CC2)C1,0
+CNC(=O)Cc1ccccc1NC(=O)C(=O)NCC(C)[NH+]1CCCC(C)C1,0
+CCOc1cc(C2CC(=O)NC3=C2C(=O)CC(c2ccc(CC)cc2)C3)ccc1OC(C)C,0
+C[NH+](CCC(=O)Nc1ccc(Br)cc1F)CC(=O)Nc1ccccc1Cl,0
+CC(C)CC(C)NC(=O)C1C[NH2+]CC1C(=O)NC(C)CCc1ccccc1,0
+CC1CCCCC1NC(=O)C[NH+](C)C(C)c1ccc(S(N)(=O)=O)cc1,0
+Cc1ccc2ccc(C(Nc3cccc(C)[nH+]3)c3sccc3C)c(O)c2n1,0
+Cc1ccc(C(=O)NC(=Cc2ccc(-c3ccc(Br)cc3)o2)C(=O)NCCC[NH+](C)C)cc1,0
+O=C(NC1CCCC1)NC1(C(=O)[O-])CCCC1,0
+Cc1ccc(C(NC(=O)C[NH+]2Cc3ccccc3CC2C(N)=O)C2CC2)cc1,0
+COc1ccccc1NC(=O)CSc1nnc(NN=Cc2cc(Br)ccc2O)n1N,0
+Cc1cc(-n2c(C)cc(C(=O)CSc3nnc(C(C)[NH+](C)C)n3-c3ccc(Cl)cc3)c2C)no1,0
+CNC(=O)COc1ccc(C[NH2+]CC2CNc3ccnn3C2)cc1,0
+CCC([NH3+])C(Oc1ccc(C(N)=O)cc1)c1cc(Br)cs1,0
+CCc1ccc(C(CNC(=O)Nc2ccccc2OCCC(N)=O)[NH+](C)C)cc1,0
+Cc1ccccc1C[NH+](C)C(C)C(=O)NC(C)c1ccc(S(N)(=O)=O)cc1,0
+Cc1ccc(S(=O)(=O)N=C(N)NCCC2=c3cc(F)ccc3=[NH+]C2C)cc1,0
+NC(=[NH2+])c1cc2c(nc1Oc1ccc(Cl)cc1Br)CCC2,0
+N#CC1=C(N)Oc2cc(OC(=O)C(c3ccccc3)c3ccccc3)ccc2C1c1cccc2ccccc12,0
+CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1S(=O)(=O)N1CCCCC1,0
+CC(=O)Nc1ccccc1C1[NH+]=c2ccc(C(=O)NCC[NH+](CC(C)C)CC(C)C)cc2=[NH+]C1=O,0
+COc1ccc(C[NH2+]Cc2cc(C)n(C)n2)c(OCC(O)C[NH+]2CCCCCCC2)c1,0
+C[NH+](C)CCCCNC(=O)C1CN(C(=O)c2ccc(C(F)(F)F)cc2)CC12CC[NH2+]CC2,0
+O=C(NCCc1cccs1)Nc1ccccc1C[NH+]1CCSCC1,0
+CNC(=O)C(C)NC(=O)C1CN(C(=O)C(C)C)CC12CC[NH2+]CC2,0
+O=C(NCC1CC[NH2+]CC1)Nc1ccccc1C(F)(F)F,0
+Cc1ccccc1COc1ccc(Br)cc1C[NH2+]CC(C)O,0
+CCC1CCCCC1NS(=O)(=O)c1ccc(CC[NH3+])s1,0
+C=Cc1cc2cc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)ccc2cn1,1
+CC1CCc2c(sc(NC(=O)C[NH+]3CCN(C(=O)c4ccco4)CC3)c2C(N)=O)C1,0
+C[NH+](CCCC(=O)Nc1cc(N)ccc1F)C1CCSC1,0
+NC(=O)c1ccc(C[NH+](CCC2=CCCCC2)Cc2ccc(C(N)=O)cc2)cc1,0
+CC(C)Oc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[NH+](C)C3)cc1,0
+Cc1ccc2nc(-c3ccc(NC(=O)C[NH+]4CCc5cc6c(cc5C4)OCCCO6)cc3)sc2c1,0
+CCN(CC)c1ccc2cc(C(=O)Nc3nc(-c4ccc(OC)cc4)cs3)c(=[NH+]c3ccccc3)oc2c1,0
+Nc1cc(Br)c(S(=O)(=O)NC2CC[NH+]3CCCC23)c(Br)c1,0
+CC1Cc2ccccc2N1C(=O)Cc1nc(N2CCOC(CO)C2)cc(=O)[nH]1,1
+COc1c(Cl)ccc(Cl)c1C(N)c1[nH+]ccn1CC(C)O,0
+N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2C2CCNCC2)CC1,1
+CCc1ccccc1N1N[NH2+]NC1SCC(=O)NCCC1=c2ccc(OC)cc2=[NH+]C1,0
+Cc1cc(S(N)(=O)=O)cc(NC(=O)C[NH+]2CCc3sccc3C2)c1C,0
+CN1C(=O)c2c(sc3c2CC(C)(C)SC3)N2CCN=C12,0
+Cl.Cn1nccc1-c1cc(F)c(C(=O)NC2CNCCC2c2ccc(F)c(F)c2)c(Cl)c1,1
+O=C(NC(c1ccc(Cl)c(Cl)c1)C1CCNCC1)c1ccc2[nH]ncc2c1,1
+Cc1csc(N(C)c2ccc(C(N)=[NH2+])cc2)n1,0
+O=C(Nc1ccccc1SCC(F)(F)F)C1CC(O)C[NH2+]1,0
+C[NH+](CCCNC(=O)NCC(O)c1ccc(F)cc1)Cc1ccccc1,0
+CC(c1nc(N)nc(Nc2ccccc2)n1)[NH+](C)CCOc1ccc(Cl)cc1,0
+CCOC(=O)C1=C(C)NC2=C(C(=O)C(C(=O)OC)C(C)C2)C1c1cc(Br)c(OC)c(OC)c1,0
+CC(C)CN(C(=S)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(C)c1ccccc1,0
+CCc1ccc(C(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)[NH+](C)C)cc1,0
+CC[NH+](CC)Cc1ccc(C(=O)NNC(=S)Nc2cccc(C)c2C)cc1,0
+COc1ccc(CNC(N)=[NH+]CC2CCCO2)c(C(F)(F)F)c1,0
+O=C(Nc1ccccc1)Nc1nc(C(=O)NCCC2=c3ccccc3=[NH+]C2)cs1,0
+C[NH+](CC(=O)Nc1sccc1C(N)=O)Cc1ccc(Br)s1,0
+COc1ccc(-n2nc3nc(N4CC[NH2+]CC4)nc(-c4ccc(F)cc4)c3c2N)cc1,0
+CC(C)[NH+](C)CCCCNc1ccc(Br)cc1N,0
+O=C(Nc1cccc(F)c1)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+Oc1ccccc1NCC(c1ccc(Cc2ccccc2)cc1)[NH+]1CC[NH2+]C(Cc2ccccc2)C1,0
+CC1(C#N)CN(c2cnc(C(=O)Nc3csc(-c4nncn4C4CC4)n3)cc2-n2cnc(C3CC3)c2)C1,1
+O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)c(Cl)c1)c1ccc(Br)o1,0
+[NH-]C1=NC(=O)C2=NCN(C3OC(COP(=O)([O-])[O-])C(O)C3O)C2=N1,0
+Nc1ncnc(N2CCC(c3nc(-c4cccc(C(F)(F)F)c4)cn3CCN3CCCC3)CC2)c1Br,1
+C=C(C)C[NH+]1CCN(c2nc3sc4c(c3c(=O)n2CC(=O)Nc2cccc3ccccc23)CCC4)CC1,0
+COc1cc(C(Nc2cccc(C)[nH+]2)c2ccc3ccc(C)nc3c2O)ccc1O,0
+CSC1=[NH+]C2(CC(c3ccccc3)c3ccc(O)c(C)c3O2)CC(C)(C)N1,0
+N#Cc1ncc2nc1OCCCCCOc1cc(OCCCO)c(Cl)cc1NC(=O)N2,1
+CCC(CC)CNC(=O)C1CN(C(=O)C2(C)CCCCC2)CC12CC[NH2+]CC2,0
+[NH3+]CCCCCCC(=O)N1CCCC1c1cccc(Br)c1,0
+COc1cccc2c1CCN2C(=O)Cc1nc(N2CCOCC2)cc(=O)n1C,1
+NC(=O)C1Cc2ccccc2C[NH+]1CC(=O)Nc1ccc(Br)cc1F,0
+Cc1nc(Nc2nc[nH+]c(NN(c3ccccc3)c3ccccc3)c2N)sc1C,0
+Cc1[nH]c2ccccc2c1C(c1ccccc1)N1CC[NH+](C(c2ccccc2)c2c(C)[nH]c3ccccc23)CC1,0
+C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)c2c1,1
+CNC(=O)CN(C)C(c1ccc(Br)cc1)C(C)[NH3+],0
+BrNCC(c1ccc(Cc2ccccc2)cc1)N1CC[NH2+]C(Cc2ccccc2)C1,0
+NC(=O)C(c1ccc(Br)s1)N1CCC[NH2+]CC1,0
+CC(c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC(=O)Nc1cccc2nsnc12,0
+CCCc1ccccc1NC(=O)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+CC1CCN(c2ccc(CNC(=O)NNC(=O)CC3CCCCC3)c[nH+]2)CC1,0
+O=C(CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)Nc1cc([N+](=O)[O-])ccc1[O-],0
+Nc1nc(O)nc2nc(-c3ccc(CN4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)c(-c3ccccc3)cc12,1
+NC1(c2ccc(-c3nc4c5cc(Br)ccc5nn4cc3-c3ccccc3)cc2)CCC1,1
+CC(NC(=O)NCCCNc1ccccc1)c1ccc(N2CC[NH+](C)CC2)cc1,0
+Fc1ccc(C2C3C(=Nc4ncnn42)c2cc(Cl)ccc2OC3c2ccncc2)cc1,0
+OCC1C[NH2+]C(Cc2ccccc2)CN1Cc1ccccc1,0
+Cc1ccc(C2=[NH+]C(C(F)(F)F)(C(F)(F)F)c3c(n(-c4ccc(F)cc4)c(=O)[nH]c3=O)N2)cc1,0
+CC[NH+](Cc1sccc1Br)CC(C)C(N)=NO,0
+CCC(=O)Nc1ccc(C(C)[NH2+]C(C)C(=O)NC(=O)Nc2ccc(C)cc2)cc1,0
+COC(=O)C1[NH+]=c2ccc(Br)cc2=C1NC(=O)C[NH+]1CC2(C)CC1CC(C)(C)C2,0
+CCC(N)C(c1ccc(Br)s1)[NH+](C)Cc1ccc(F)cc1,0
+Cc1cc(S(N)(=O)=O)cc(NC(=O)C[NH+]2CCCC2c2ccc(O)cc2)c1C,0
+CN(C)CC(=O)N1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC1,1
+O=C(NCC(c1ccc(Cl)cc1)[NH+]1CCCCC1)c1nn(C2CCS(=O)(=O)C2)c2c1CCCC2,0
+O=C(C[NH+]1CCN(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)CC1)NCc1ccccc1,0
+Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C)C(C)c1cccc(S(N)(=O)=O)c1,0
+CCC[NH+]1CCN(C(c2ccccc2Br)C([NH3+])CC)CC1,0
+CC1Cc2ccccc2N(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)C1,0
+CC([NH3+])C(c1cccc(Br)c1)N1CCN(CCO)CC1,0
+CC(C(=O)N1CCc2ccccc21)n1nc(-c2ccco2)cc(N)c1=O,0
+NC(=O)NCC(=O)N1CCC2=c3ccccc3=[NH+]C2C1c1cccc(C(F)(F)F)c1,0
+O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)NNC(=O)CC1=c2ccccc2=[NH+]C1,0
+CC1=C(C(=O)C=Cc2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)C(C)C(C(=O)[O-])=[NH+]1,0
+CCN(CC)S(=O)(=O)c1ccc(Nc2[nH+]cnc(NN(c3ccccc3)c3ccccc3)c2N)cc1,0
+NC(COc1cncc(-c2ccc3[nH]nc(C4CC4)c3c2)c1)Cc1c[nH]c2ccccc12,1
+C[NH+]1CCN(c2nc3ccc(NC(=O)C4CCCN(S(=O)(=O)c5ccc(F)cc5)C4)cc3s2)CC1,0
+CC[NH+](Cc1nc(N)nc(Nc2ccccc2C)n1)CC1COc2ccccc2O1,0
+CC1(c2ccc3ccccc3c2)NC(=O)N(CN2CCN(S(=O)(=O)N3CCCCCC3)CC2)C1=O,0
+CCC(C)CC(=O)N1CC(C(=O)NC(C(=O)NC(C)(C)C)C(C)C)C2(CC[NH2+]CC2)C1,0
+O=C1NCCOc2ccc(NS(=O)(=O)c3ccccc3F)cc21,0
+CC[NH+]1CCc2c(sc3c2C(O)=NC(c2ccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)cc2)N3)C1,0
+CCOC(=O)C1=C(CSc2nnc(SCC(N)=O)s2)NC(=O)NC1c1ccc(OC)cc1,0
+[NH3+]CC#Cc1ccc(S(=O)(=O)NCC(F)(F)F)c(Cl)c1,0
+NC(COc1cncc(Nc2cccnc2)c1)Cc1ccccc1,1
+CCCn1c(N)c(C(=O)C[NH+](C)CC(=O)NCc2ccco2)c(=O)[nH]c1=O,0
+CCCn1c(N)c(C(=O)C[NH2+]C(c2ccc(Cl)cc2)C(C)C)c(=O)[nH]c1=O,0
+CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccccc3-4)cc2)C1,1
+CN(C)c1ccc(NC(=S)NNC(=S)Nc2ccc(F)cc2)cc1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cccc(Br)c1O,1
+CC1CCC(NC(=O)C(CC2=c3ccccc3=[NH+]C2)NC(=O)C2CCC(C)CC2)CC1,0
+COc1ccc(OC)c(C2C(=C(O)c3ccc(Br)cc3)C(=O)C(=O)N2CCC[NH+](C)C)c1,0
+Clc1c[nH]c2ncnc(N3CCc4[nH]cnc4C3)c12,1
+NC(=O)c1coc(C2=NNC(=[NH+]CCc3cccs3)SC2)c1,0
+NC(=O)COc1ccc(Br)cc1C[NH2+]C1CCCC1,0
+NC(=O)NCCCC(=O)NCC(C1=c2ccccc2=[NH+]C1)c1ccccc1Cl,0
+NS(=O)(=O)c1ccc([NH+]=c2oc3cc(O)ccc3cc2C(=O)Nc2ccccc2Cl)cc1,0
+CCC(=O)N1N=C(C2C(=O)[NH+]=c3ccc(Cl)cc3=C2c2ccccc2)CC1c1ccccc1Cl,0
+CCCC[NH+](CCCC)CCNC(=O)c1ccc2c(c1)=[NH+]C(=O)C(c1ccccc1NC(C)=O)[NH+]=2,0
+O=C(Nc1cccc(Cl)c1)N1CCOC(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1,0
+CC(C)NC(=O)Nc1ccccc1C(=O)NCC1CCC[NH+](C(C)C)C1,0
+CC1C(NC2[NH+]=c3ccccc3=NC2=NS(=O)(=O)c2cccc(Cl)c2)C(=O)N(c2ccccc2)N1C,0
+CC(C)CC(NC(=O)C1CCC(=O)N1)[NH2+]C(CC(C)C)C(=O)N1CCCC1C(N)=O,0
+Cc1cc(Cl)c(C)c(S(=O)(=O)NC2CCCC2[NH3+])c1Cl,0
+CC(=O)Nc1cccc(NC(=O)CCNC(=O)N2CCC3=c4ccccc4=[NH+]C3C2)c1,0
+Cn1ncc(Br)c1-c1coc(C(=O)NC2(c3ccc(F)cc3)CCNCC2)c1,1
+C[NH+](C)C1(CNC(=O)NNC(=O)C2CCS(=O)(=O)C2)CCCCC1,0
+COc1cc(NC(=O)N2CCN(Cc3nc4cc(C(=O)N(C)C)ccc4n3C)CC2)cc(OC)c1,0
+CC([NH3+])C1CCCCN1C1C(=O)Nc2c(Br)cccc21,0
+NC(=O)C1CCC([NH2+]CC(=O)Nc2cccc(Br)c2)CC1,0
+O=C(C[NH2+]C(c1ccccc1)c1cc2ccccc2o1)NN1C(=O)NC2(CCCCC2)C1=O,0
+CC(C)(C)c1cc(C2CSCC(C(=O)NCC3CCC4CC3C4(C)C)[NH2+]2)cc(C(C)(C)C)c1O,0
+Cc1ccc(CC(=O)N2CC(C(=O)NCC[NH+](C)C)C3(CC[NH2+]CC3)C2)cc1,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4cccc5ccccc45)c3)cc12,1
+NC(=O)C1([NH+]2CCCCC2)CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1,0
+O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccc(-c2ccccc2)cc1,1
+N#Cc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(c5nnc(-c6ccccn6)[nH]5)CC4)cc3)nc2n1,1
+ClCc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3ccn12,1
+COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C[NH+]1CC2(C)CC1CC(C)(C)C2,0
+NS(=O)(=O)c1ccc(NC(=O)C2CC(=O)N(CCC3=c4cc(Cl)ccc4=[NH+]C3)C2)cc1,0
+Cc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)N4CCN(Cc5ccccc5)CC4)c(Cl)c3N2)cc1,0
+COc1cc(C[NH2+]CCCO)cc(Br)c1OCc1ccc(F)cc1Cl,0
+O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4cc5nc[nH]c5cc4nc3-c3ccccc3)cc2)CC1,1
+CC1=CC(CNS(=O)(=O)Cc2ccccc2)C(C(C)C)CC1CC(=O)N1CCN(c2cccc[nH+]2)CC1,0
+CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])s2)sc2c1CC(C)(C)[NH2+]C2(C)C,0
+CCCCNC(=O)NC(=O)C(C)Nc1ccc(N2CC[NH+](CC)CC2)cc1C,0
+COc1cc(OC)c(NC2[NH+]=c3ccccc3=NC2=NS(=O)(=O)c2cc(C)ccc2C)cc1Cl,0
+CC(=O)Oc1ccc2c(=O)c(Cl)coc2c1,0
+CC(C)CC(=O)Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,1
+Cc1ccc2cccc(NC(=O)c3ccc4c(c3)NC(=O)CO4)c2n1,0
+CCOc1cc(C[NH2+]C(C)c2cc(F)c(Cl)cc2Cl)cc(Br)c1OCC(N)=O,0
+CC1CC[NH+](C(C)CNC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1,0
+NC(=O)c1cccc(OCC(=O)Nc2cc(Br)ccc2Cl)c1,0
+CC(C)C(=O)NC1NC(=CC(=O)Nc2nc(C3=c4ccccc4=[NH+]C3)cs2)CS1,0
+Cc1ccc(CCc2c(C[NH3+])nnn2-c2ccc(O)cc2)cc1,0
+Cc1ccc(S(=O)(=O)N2CCc3nc(N4CC[NH+](C)CC4)nc(Oc4ccc(F)cc4F)c3C2)cc1,0
+CCC(=O)Nc1ccc(C(C)[NH2+]C(C)C(=O)Nc2ccc(Cl)cc2C)cc1,0
+CC([NH2+]Cc1cc(Br)cs1)c1ccc(S(N)(=O)=O)cc1,0
+Cc1c[nH]c2ncnc(N3CCC(NCc4ccccc4)C3)c12,1
+CC[NH+](CC)CCNC(=O)NNC(=O)c1cc2c(s1)CCCCC2,0
+COC(=O)C1Cc2c([nH]c3ccccc23)C2CC([NH2+]CCO)CC(c3ccc(F)cc3)N12,0
+CCn1c(-c2nonc2N)nc2c(-c3cc[nH]c3)ncc(OCCCN)c21,1
+Cc1ccc(NC(=O)CSc2ncccc2C(=O)Oc2ccccc2Cl)cc1Cl,0
+C#Cc1cccc(NC(=O)CNC(=O)NCC2CC[NH+](C(C)C)C2)c1,0
+O=C1Nc2cc(Br)ccc2C1[NH2+]C1CCCC(O)C1,0
+COc1ccccc1NC(=[NH2+])SC(c1ccccc1)c1ccccc1,0
+Cc1ccc(CNC(=O)C(C)NC(=O)C2Cc3ccccc3C[NH2+]2)cc1,0
+COc1ccccc1CNC(=O)C1CSC(C)C(c2ccccc2)[NH2+]1,0
+Cn1cc(Cl)cc1C(=O)Nc1cc(S(N)(=O)=O)ccc1Cl,0
+COc1ccc(C(CNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)[NH+]2CCCCC2)cc1,0
+Cn1c(SCc2ccc(-c3snc(Cl)c3C[NH3+])cc2)nnc1C(F)(F)F,0
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccco2)C(=O)N3)c1)Cc1ccccc1,1
+CNC(=O)NC(=O)CCC[NH+]1CCCC1c1cccc2c1OCCO2,0
+CC1SCc2ncnc(N3CCN(C(=O)C(N)Cc4ccc(Cl)cc4)CC3)c21,1
+CCOC(=O)c1c(NC(=O)C[NH+](CC(N)=O)CC(C)C)sc2c1CCC(C)C2,0
+OCC(O)C(O)C(O)C(O)C1N2CC3(c4ccccc4)C[NH+]1CC(c1ccccc1)(C2)C3O,0
+OC(C[NH+]1CCC2(CC1)CC(O)c1ccc3ccccc3c1O2)c1ccc(F)c(F)c1,0
+COC(=O)c1ccccc1NC(=O)N1CCC2=c3cc(Cl)ccc3=[NH+]C2C1c1ccc(C)cc1,0
+CN(c1ncnc2ccc(Br)cc12)C1CCS(=O)(=O)C1,0
+COc1ccc(C2=NC(c3ccc(C)cc3)[NH2+]C(c3ccccc3O)C2)cc1,0
+CCC([NH3+])C(Oc1ccccc1I)c1sccc1C,0
+CCOC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CCN(Cc1ccccc1)C2,0
+COc1ccc(O)c(C(=O)c2ccc(CNC3CCCNCC3NC(=O)c3ccncc3)cc2)c1F.Cl,1
+NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,1
+Cc1cccc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1,1
+COc1cc(C[NH2+]CC(O)C[NH+]2CCC(C)CC2)cc2c1OCCO2,0
+NCC(CNc1ccc(-c2ccnc3[nH]ccc23)s1)c1ccccc1,1
+C=CC[NH+]1CCN(c2ccccc2NC(=O)CSc2nnnn2-c2ccc(Br)cc2)CC1,0
+COc1ccc(O)c(C(=O)c2ccc(C(=O)OC3CCCNCC3NC(=O)c3ccncc3)cc2)c1F.Cl.Cl,1
+CC(Oc1ccc(F)cc1)C(=O)NNC(=O)NCC(c1ccsc1)[NH+](C)C,0
+CC(c1nc(N)nc(N(C)C)n1)N1CCOC(c2ccc(F)c(F)c2)C1,0
+CC(C)[NH+]1CCC(Nc2ccc(S(N)(=O)=O)cc2S(C)(=O)=O)CC1,0
+CC[NH+]1CCCC1CNc1ncc(Br)cc1N,0
+CC1(C)CC(NC(=S)N(Cc2cccs2)C2CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)[NH2+]1,0
+COc1ccc2cc(C(=O)N3CC4CC(C3)c3cccc(=O)n3C4)[nH]c2c1,0
+Cc1ccc(-n2c(C)cn3c4c(=O)n(CC(C)CNc5ccccc5N)c(=O)n(C)c4nc23)cc1C,0
+Cc1c(Cl)ccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nc12,0
+CC1(C2=NOC(CNc3[nH+]cc(C(F)(F)F)cc3Cl)C2)NC(=O)N(c2ccc(F)cc2)N1,0
+Cc1nn(-c2ccccc2)c2c1C(c1ccc(Cl)cc1)C(C(N)=O)=C(N)O2,0
+CC1CC(C)C[NH+](CC(C)NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)C1,0
+Cc1cccc(-c2nc(C3CN(Cc4ccc(-c5nc6nc(C)cn6cc5-c5ccccc5)cc4)C3)n[nH]2)n1,1
+CC(c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC(=O)c1c(-c2ccccc2)[nH]c2ccccc12,0
+CC(c1ccccc1F)N(C)c1cccc(Cl)c1C(N)=[NH2+],0
+C=CCOC(=O)C1=C(C)Nc2nnnn2C1c1ccc(OCc2ccc(C(C)(C)C)cc2)cc1,0
+COc1ccc(C(Nc2cccc[nH+]2)c2c(NC(=O)c3ccco3)sc(C)c2C)cc1,0
+Clc1ccc(Cl)c(-c2ccc(CNC3N=N[NH2+]N3)o2)c1,0
+O=C1NC(=O)C2(CCN(C(=O)C3CC(O)C[NH2+]3)CC2)N1,0
+COc1ccccc1C(C)[NH2+]C(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1,0
+CCOC(=O)c1ccc(NC(=O)c2c(NC(=O)C[NH+]3CCCCC3)sc3c2CCC3)cc1,0
+CCCCC(C)C(=O)N1CC(C(=O)NCCc2cc(C)ccc2C)C2(CC[NH2+]CC2)C1,0
+CCCC1OC2CC(=O)OC2C2=C1C(=O)c1ccccc1C2=O,1
+CNC(=O)Nc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCOc2c(Cl)cccc21,1
+CCCCN(C)C(=O)c1nc2ccccn2c1C[NH2+]Cc1n[nH]c(=O)c2ccccc12,0
+CC[NH+]1CCCC1CNC(=O)C1CN(C(=O)C2CC=CCC2)CC12CC[NH2+]CC2,0
+CC[NH+]1CCc2c([nH]c3ccccc23)C1c1c(O)nc(O)n(CCC2=CCCCC2)c1=O,0
+CCc1nnsc1C(=O)N1CCCC2CC(C)CCC21,0
+O=C(NC(c1ccc(Cl)c(Cl)c1)C1CCNCC1)c1ccc2cnc(F)cc2c1,1
+Nc1ccc(NC(=O)C[NH+]2CCCC2CCCO)c(Br)c1,0
+COc1cc(C[NH2+]C2CCc3cc(Cl)ccc32)cc(OC)c1OCC(N)=O,0
+COc1cc(OC)c(OC)cc1CNC(=O)C[NH+]1CC2(CCCC2)c2cc3c(cc2C1C)OCCO3,0
+Nc1ccc(F)c(S(=O)(=O)NCC2CC[NH+](C3CC3)C2)c1,0
+CCOc1cccc(C2CC(c3ccc(CC)cc3)=NC(C(C)C)[NH2+]2)c1O,0
+N#Cc1ccc2nc(C3CCN(Cc4ccc(-c5nc6nccn6cc5-c5ccccc5)cc4)CC3)[nH]c2c1,1
+Cc1csc2nc(C[NH+](C)CC(=O)N(C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)cc(=O)n12,0
+CNC(=O)c1ccc(NC(=O)NCC(c2ccc(OC)cc2)[NH+]2CCCC2)cc1,0
+CC(c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC(=O)NCc1ccc(OC(F)F)cc1,0
+CC[NH+](CC)CC[NH2+]C(CC(=O)Nc1cccc(Cl)c1Cl)C(=O)[O-],0
+COc1ccc(NC(=O)Nc2ccc(N3CCCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)[nH+]c2)cc1,0
+[NH3+]n1c(Nc2ccccc2)nc2sc3c(c2c1=O)CCN(Cc1ccccc1)C3,0
+Cc1cc(Br)ccc1NC(=O)C[NH+](C)C(C(=O)NC1CC1)c1ccc(F)cc1,0
+CC[NH+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2cc(Cl)ccc2C(=O)OC)C1,0
+NC(COc1cnc(Cl)c(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,1
+CCC(=O)N1CC(C(=O)NC(C)C(=O)NC)C2(CC[NH2+]CC2)C1,0
+Cc1c(NCCN(C)C)cc(Cl)cc1N1CCN(c2ncnc3[nH]nc(Br)c23)CC1,1
+OC(c1ccccc1)(c1ccccc1)c1ccc(C[NH+](Cc2ccccc2)CC2CCCO2)o1,0
+CCOc1cc(C2CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)ccc1OCC(N)=O,0
+CCOc1ccc(C(=NO)C(C[NH+]2CCCCC2)Oc2ccc(Cl)cc2Cl)cc1,0
+COc1cc(C[NH2+]C2CCCCC2C(C)(C)C)cc(OC)c1OCC(N)=O,0
+CNc1nn(CC(=O)NCc2ccccc2Cl)c(N)c1-c1nc(-c2ccccc2C)no1,0
+CC(c1nnc(SCC(=O)NC2CCCc3ccccc32)n1-c1ccc(F)cc1)[NH+]1CCCCC1,0
+CC(C)C(O)C[NH+](CCN1CCOCC1)Cc1nc2sc3c(c2c(=O)[nH]1)CCCCC3,0
+CCC1c2ccsc2CC[NH+]1CCC(=O)Nc1ccc(S(N)(=O)=O)cc1,0
+CC(C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCN(Cc2ccc(Cl)s2)CC1,0
+Cc1cc2cc(CNC(=O)CC3C(=O)NCC[NH+]3CC(C)C)ccc2[nH]1,0
+COc1cc2c(cc1OC)C1CC(=NNC(N)=O)C(CC(C)C)C[NH+]1CC2,0
+Cc1nnc(Cl)c2nn(-c3ccc(Cl)cc3)c(C)c12,0
+CC(C)C[NH+]1CCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1,0
+COC(=O)Nc1cc(NC(=O)C(=O)NCC2CC[NH+](C3CC3)C2)ccc1F,0
+NC(=O)c1cc2cc(Br)ccc2oc1=[NH+]NC(=S)Nc1ccccc1,0
+CC1CCCCC1CNS(=O)(=O)Cc1cccc(C[NH3+])c1,0
+C[NH+](C)C(CNC(=O)c1nn(C2CCS(=O)(=O)C2)c2c1CCCC2)c1ccc(C(F)(F)F)cc1,0
+CCCCn1c(NCc2ccccc2NS(=O)(=O)c2ccc(C)cc2)[nH+]c2ccccc21,0
+NCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1,1
+CCc1cc(C(Nc2cccc[nH+]2)c2ccc(C(F)(F)F)cc2)c(NC(=O)c2ccco2)s1,0
+C[NH+](CCCOc1ccc(Cl)cc1)CCC(=O)Nc1sccc1C(N)=O,0
+COC1CCCC1NS(=O)(=O)c1cc(Br)ccc1N,0
+CCC(CC)N(CCO)C(c1ccccc1Br)C(C)[NH3+],0
+CCOc1cccc(C(Nc2cccc(C)[nH+]2)c2ccc3ccc(C)nc3c2O)c1OC,0
+CN(C)CC[NH2+]C(C)(C(N)=O)c1cc2cc(Br)ccc2o1,0
+Cc1cc(-n2cccn2)ccc1CN1CCN(c2cc(=O)[nH]c(N)n2)CC1,0
+O=C(NCc1ccc(Cl)c(Cl)c1)Nc1ccc2[nH]ncc2c1,1
+N#Cc1c(NC(=O)C[NH+]2Cc3ccccc3CC2C(N)=O)sc2c1CCC2,0
+CCN(CC)C(=O)C[NH+]1CCCN(C(=O)NCC2CCN(c3cccc(Br)c3)C2)CC1,0
+COc1ccccc1C=NN=C1NNC(=[NH2+])Cc2nncn21,0
+CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)cc1,1
+CC(=O)OCc1nc2c(c([O-])c(N=O)c3nc(COC(C)=O)n([O-])c32)n1[O-],0
+CC1CCCC[NH+]1CCCCNC(=O)NNC(=O)CCC1CCCCC1,0
+C=CC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C,1
+CCC([NH3+])C(Sc1nccc(C)n1)c1cc(Br)cs1,0
+CNC(=O)Cc1ccccc1NC(=O)NCC(c1ccco1)[NH+](C)C,0
+Cc1ccc(-n2c(C(C)N(CC[NH+](C)C)C(=O)Nc3cccc(Cl)c3)nc3ccccc3c2=O)cc1C,0
+Nc1nnc(SCCN2CC[NH+](CCSc3nnc(N)s3)CC2)s1,0
+CC(C)S(=O)(=O)c1ccc(C(CNO)N2CC[NH2+]C(c3ccccc3O)C2)cc1,0
+CC[NH+](CCc1ccncc1)CCC(O)c1ccc(C)c(N)c1,0
+CN1CCN(C(=O)CCC2CNC(=O)C3CC([NH2+]Cc4cccc(Cl)c4)C[NH+]23)CC1,0
+Nc1ccc(C(=O)CC2(O)C(=O)Nc3ccc(Br)cc32)cc1,0
+O=C(C[NH2+]Cc1cccc(Br)c1)Nc1c(Cl)cccc1Cl,0
+CC(NCc1ccc(S(N)(=O)=O)cc1)C1CCC[NH+](C)C1,0
+Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)C(NC(=O)c3cccc(C)c3)C(C)C)cc2)cc1,0
+C[NH+](C)C(CNC(=O)Nc1ccc(OCC(N)=O)cc1)c1ccc(F)cc1,0
+COc1cc(CC[NH3+])cc(OC)c1OCc1ccc(Br)s1,0
+Cc1ccc(CNC(=O)Nc2cc(C)cc3c2=[NH+]C(C(=O)N2CCOCC2)C=3c2ccccc2)cc1,0
+CCCCn1c(=S)[nH]c([O-])c(C2[NH2+]CCC3=c4ccccc4=[NH+]C32)c1=O,0
+CC1CN(S(=O)(=O)c2ccc(C(=O)Nc3ccc4nc(N5CC[NH+](C)CC5)sc4c3)cc2)CC(C)O1,0
+CCOc1ccc(NC2=C(Cl)C(=O)c3[nH]ncc3C2=O)cc1,1
+CC1(C)Cc2c(sc3c2c(=O)n(CC(=O)NCCC[NH3+])c(=O)n3Cc2ccccc2)CO1,0
+N#CC1=C(N)OC2=c3ccccc3=[NH+]C(=O)C2C1c1ccc(O)cc1,0
+Nc1ncccc1-c1nc2ccc(-c3cccnc3)nc2n1-c1ccc(CC(=O)Nc2ccccc2)cc1,1
+CS(=O)(=O)Nc1ccc(CC2=NOC(C3=CC4=C(CC[NH3+])C=NC4C=C3)N2)cc1,0
+C[NH+](C)C(C)(C)CNC(=O)NNC(=O)COc1ccccc1Cc1ccccc1,0
+CNC(=O)c1ccc(NC(=O)NCC(C)[NH+]2CCc3ccccc3C2)c(C)c1,0
+CCCC12CCN3CC(CCC)(C[NH+](C1)C3c1ccc(O)c(OC)c1)C2O,0
+CCC([NH3+])C(c1ccc(Br)s1)N(CCO)C1CCCC1,0
+Cn1cc(S(=O)(=O)NC2(C[NH3+])CCCC2)c(=O)n(C)c1=O,0
+Fc1ccc(NC(=S)NCc2ccc3c(c2)=C2CCCCC2[NH+]=3)cc1,0
+Cc1cc(C)n(C(=O)CSc2nnc(-c3ccccc3O)n2N)n1,0
+CC1(C)Cc2c(sc(NC(=O)CCCSc3ccccc3)c2C#N)C(C)(C)[NH2+]1,0
+CC1CN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CCN1,1
+CCc1ccc(C(=O)Nc2cccc(C[NH+]3CCCC3C(N)=O)c2)o1,0
+NN1C(SCC(=O)N2CCOCC2)NNC1C1C=C(c2ccc(F)cc2)N=N1,0
+CC(C)(C)c1cc(C2CSCC(C(=O)NCc3ccco3)[NH2+]2)cc(C(C)(C)C)c1O,0
+NC(=O)c1ccc(C[NH2+]Cc2ccc(Br)s2)c(F)c1,0
+CCC[NH+]1Cc2cccc(NC(=O)CC(NC(C)=O)c3cccs3)c2C1,0
+Cc1ccc(-c2c(N)ncnc2N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3C)CC2)cn1,1
+NC(=O)C1CCC[NH+]1Cc1cccc(NC(=O)c2c(-n3cccc3)sc3c2CCSC3)c1,0
+NC1(c2ccc(-n3c(C4CCCCC4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1,1
+CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3sccc3C(N)=O)n2-c2ccccc2)cc1,0
+CCc1ccccc1NC(=O)C[NH+]1CCN(C(C)C(=O)NC(=O)NC)CC1,0
+CC[NH+](CC(=O)Nc1ccc(NC(C)=O)cc1)C(C)C(=O)NC12CC3CC(CC(C3)C1)C2,0
+OCCNCC[NH2+]Cc1cc(Br)ccc1OCc1c(F)cccc1Cl,0
+CC([NH3+])C(Sc1nncs1)c1cc(Br)cs1,0
+NC(COc1cncc(CCc2ccncc2)c1)Cc1c[nH]c2ccccc12,1
+COc1ccc(C(O)C[NH+]2CCC(C(O)c3ccc(Cl)cc3)CC2)cc1,0
+CC(C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+](C)CC(=O)Nc1ccc(F)c(F)c1F,0
+O=C(NC1CCCCC1)C1CCC[NH+](CC(O)c2ccc(F)cc2)C1,0
+CC(C)CCCN1CCC([NH+]2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CCC1=O,0
+CCOc1ccccc1NC(=O)C(=O)NCC(c1ccc2c(c1)CCCN2C)[NH+]1CCCCC1,0
+CC(NS(=O)(=O)c1cccc(C#CC[NH3+])c1)c1cccs1,0
+CC(c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC(=O)Nc1ccccc1C(=O)NCc1ccccc1,0
+NC(CNc1ncc(-c2ccc3c(c2)CNC3=O)s1)Cc1ccc(C(F)(F)F)cc1,1
+CNC(=O)NNS(=O)(=O)c1c(C)cc(C)cc1C,0
+Cc1nc(N)nc2c1nc(-c1cc[nH]n1)c(=O)n2C1CCOCC1,1
+Cc1ccc(CSCC(=O)NC(C)c2cccc(S(N)(=O)=O)c2)cc1,0
+COC(=O)c1c(N)oc2c(-c3ccc(F)cc3)c3c(C(=O)OC)c(N)oc3cc12,0
+CC1(COc2ccc(Cl)cc2NC(=O)Nc2cnc(C#N)cn2)COC1,1
+COc1ccc2nc(Nc3[nH+]cnc(NNc4ccccc4)c3N)sc2c1,0
+NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F,0
+C=CC[NH+]=C(N)NCC1(c2ccc(Br)cc2)CCC1,0
+CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccccc1C[NH+](C)C1CCCCC1)C2=O,0
+CNS(=O)(=O)c1ccc(C(C)NC(=O)NCC(C)(C)[NH+]2CCCCC2)cc1,0
+Cc1c[nH]c2ncnc(N3CCC(NC(=O)Nc4ccccc4)C3)c12,1
+CC([NH2+]C(C)c1ccc(Br)s1)c1ccc(S(N)(=O)=O)cc1,0
+COc1ccccc1NC(=O)c1cc2ccccc2oc1=[NH+]c1sc2c(c1C(N)=O)CCCC2,0
+CCc1ccc(C(=O)N2CC(C(=O)NC(C(=O)NC(C)(C)C)C(C)C)C3(CC[NH2+]CC3)C2)cc1,0
+O=C(CNC(=O)NCCC[NH+]1CCc2ccccc2C1)Nc1ccc(F)cc1,0
+CC([NH2+]C(C)c1ccccc1Cl)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2,0
+N#Cc1c(N)ncnc1N1CCC(c2nc(C3CCCCC3)cn2CCN2CCC2)CC1,1
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4cccc(-c5ccccc5)c4)c3)cc12,1
+CCCCCCCCCCCCCCc1ccc(S(=O)(=O)Nc2nncs2)cc1,1
+CCCCn1c(N)c(N(CC)C(=O)C[NH+](CC)CC2COc3ccccc3O2)c(=O)[nH]c1=O,0
+CC(C)NC(=O)c1ccccc1NC(=O)C[NH+]1Cc2ccccc2CC1C(N)=O,0
+COc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1,1
+CC1Cc2c(ccc(F)c2Cl)N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)[nH]1,1
+O=C(c1cc2n(n1)C(c1ccccc1)CC(c1ccccc1)N2)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1,0
+COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)Nc4cc(C)ccc4C)c[nH+]3)CC2)cc1,0
+Cc1sc2nc(C[NH2+]C3CC3C)[nH]c(=O)c2c1C,0
+NS(=O)(=O)c1ccc(CN2CNC(c3ccccc3)C2c2[nH]cc[nH+]2)cc1,0
+O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccc2c(c1)OCO2,1
+CCOc1c(Br)cc(Br)cc1C[NH2+]C1CCC(O)CC1,0
+COc1cc(C=NN2C(=S)N=[NH+]C2c2ccccc2C)cc(Br)c1O,0
+NC(=[NH2+])CCCCOc1ccc(Br)cc1Cl,0
+O=C(NCCSC1=c2ccccc2=[NH+]C1c1ccc(F)cc1)c1ccc(Br)o1,0
+CN(CC(=O)Nc1ccc(N)cc1Br)C1CC[NH+](C)CC1,0
+COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(Cl)c1N1CC[NH+](C)CC1,0
+NS(=O)(=O)c1ccc(NCc2ccc(O)cc2)c(Br)c1,0
+CC(NC(=O)CSC(C)(C)C)c1cccc(S(N)(=O)=O)c1,0
+C[NH+]1CCC(NS(=O)(=O)c2cc(Cl)cc(N)c2Br)C1,0
+Cc1nc2nc(-c3ccc(CN4CCC(n5ncc6c(N)ncnc65)CC4)cc3)c(-c3ccccc3)cn2n1,1
+NC(=O)NC(CC1=c2ccccc2=[NH+]C1)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1,0
+CCN(CC(C)C(N)=NO)C(=O)c1ccc(Br)cc1,0
+CC(C)=CC1C(C(=O)N2CCC3(CC2)NC(=O)NC3=O)C1(C)C,0
+Cc1cc(Cl)c2c(c1)C1(NC(CC(N)=O)C3C(=O)N(Cc4ccccc4Cl)C(=O)C31)C(=O)N2,0
+C[NH+](CCCCC(N)=NO)Cc1csc(Br)c1,0
+O=C(COc1ccc2ccccc2c1)NNC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl,0
+CC(=O)N1CCC(C#N)(N2CCCCC2)CC1,0
+Cc1cc(OCC(N)=O)ccc1NC(=O)NCCC[NH+]1CCc2ccccc2C1,0
+COc1ccccc1NC(=O)c1ccc(NC(=O)C(C)[NH2+]C(C)c2ccccc2F)cc1,0
+COc1cc(C[NH2+]C2CCCCC2)cc(I)c1OCC(N)=O,0
+CC(C)c1ccccc1NS(=O)(=O)c1ccc(C[NH3+])cc1,0
+CC(C)[NH2+]C(C)(CCCCSc1ccc(Br)cc1)C(N)=O,0
+[NH3+]CC(c1cccc([N+](=O)[O-])c1)N1CCN(CCO)CC1,0
+Nc1ncccc1-c1nc2ccc(-c3cccnc3)nc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,1
+OCc1cn2cc(-c3ccccc3)c(-c3ccc(CN4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)nc2n1,1
+CC[NH+](CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)CC(=O)NC(C)(C)C,0
+COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CSc2nnc(-c3sc(C)nc3C)o2)cc1,0
+Cc1cccc(NC(=O)C(C)[NH2+]C(C)c2ccc(OCC(=O)NC3CC3)cc2)c1,0
+CNC(=O)Cc1ccccc1NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1,0
+CCC(CO)[NH2+]CC(O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21,0
+CC1(C)CC(NC(=S)NCCC2=CCCCC2)CC(C)(C)[NH2+]1,0
+CC1(C)CC(NC(=O)C(=O)NN=Cc2ccc([N+](=O)[O-])cc2)CC(C)(C)[NH2+]1,0
+C[NH+]1C(SCc2nc3ccccc3c(=O)[nH]2)NNC1c1cc2ccccc2o1,0
+COc1cc(COc2ccn3c(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nc3n2)ccn1,1
+CC(NC(=O)CN1C(=O)NC2(CCCc3sccc32)C1=O)c1ccc2ccccc2c1,0
+O=C(C[NH+](CCO)CCO)Nc1ccc(Br)cc1Cl,0
+Cc1n[nH]c2c[n+]([O-])c(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12,1
+NC1(c2ccc(-c3nc4c5cccc(-c6cn[nH]c6)c5nn4cc3-c3ccccc3)cc2)CCC1,1
+Cc1cc(C)c(NC(=O)C[NH+](C)CCC(=O)Nc2cc(Cl)ccc2Cl)c(C)c1,0
+Cc1c(F)c(Oc2cccc(C(N)=[NH2+])c2)nc(Oc2cccc(C(=O)N(C)C)c2O)c1F,0
+Cc1ccc(N2CCN(C(=O)CCC(=O)Nc3ccc4[nH+]c(N5CC(C)CC(C)C5)cc(C)c4c3)CC2C)cc1,0
+CC1CCC2(CC1)NC(=O)N(NC(=O)C[NH+]1CCCC1C(=O)N(C)C)C2=O,0
+CS(=O)(=O)N1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC1,1
+COC1C(NC(=O)c2ccco2)c2ccccc2C12CCN(Cc1[nH+]ccn1-c1cccc(C)c1)CC2,0
+Cn1c(NCCNc2cccc[nH+]2)c(C#N)c(=O)n(C)c1=O,0
+CCCC1(C)N=C(c2ccc(OCC)cc2)CC(c2ccccc2O)[NH2+]1,0
+COc1cccc2c1=CC(C(=O)NCCC(=O)NC1Nc3ccccc3S1)[NH+]=2,0
+CC(c1nc2ccccc2c(=O)n1C)N1CCN(C(=O)C(C)(C)C)C(C)C1,0
+Cn1ncc(Cl)c1-c1ccc(C(=O)NC2CNCCC2c2ccc(Cl)cc2)o1,1
+Cc1ccc(S(=O)(=O)Nc2ccc(C#CC[NH3+])cc2C)s1,0
+CC[NH+]1CCN(c2c(Cl)cccc2NC(=S)NC(=O)COc2ccccc2C)CC1,0
+C[NH2+]CCC[NH2+]Cc1cc(Br)c(OCc2cccc(C)c2)c(OC)c1,0
+CCS(=O)(=O)NCCCNC(=O)NCc1ccc[nH+]c1N(C)C,0
+CNC(=O)c1ccc(NC(=O)C[NH2+]C(C)c2ccc(C(C)C)cc2)cc1,0
+CCc1ccccc1NC(=O)C[NH+](C)C(C)C(=O)Nc1c([N+](=O)[O-])ccc(C)c1C,0
+CCCC[NH+](CC)C(C)C(=O)Nc1c(Cl)cc(N)cc1Cl,0
+CC(=O)[NH+]=c1ccc2c(CSc3nnc(-c4ccc(C)cc4)n3N)cc(O)oc-2c1,0
+C=CCC1(O)C(C)C(c2ccc(N(C)C)cc2)[NH2+]C(c2ccc(N(C)C)cc2)C1C,0
+CC(C)NC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1,0
+[NH3+]C1CCN(CC(=O)NC(=O)NC2CCCC2)CC1,0
+O=C(Cc1nc(N2CCOC(CF)C2)cc(=O)[nH]1)Nc1ccc(F)cc1,1
+COC(=O)c1ccc(C([NH2+]Cc2ccccc2)C(C[NH2+]Cc2ccccc2)C(=O)[O-])cc1,0
+CC(NC(=O)C(C)[NH+]1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1)c1ccccc1,0
+O=C1CSc2ccccc2N1CC(=O)N1CCOC2CCCCC21,0
+Cc1nc2nc(-c3ccc(CN4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)c(-c3ccccc3)c(NC3CCC3)n2n1,1
+O=C(c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)N1CCN(c2cccc[nH+]2)CC1,0
+COc1ccc(S(N)(=O)=O)cc1C(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1,0
+Cn1cnc(S(=O)(=O)NCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)c1,1
+NC(=O)c1ccc(NC2CNCCC2c2ccc(F)cc2)c2cncnc12,1
+CC1Cc2c(Br)cccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)n1C,1
+CC1CN(C(C)C(=O)N2CCCCC2)CC(C)O1,0
+O=C(C[NH+]1CCCC(C(=O)NC2CC2)C1)Nc1cc(Cl)ccc1F,0
+O=C(COc1cc(Cl)c(Cl)cc1Cl)NNC(=O)CC1=c2ccccc2=[NH+]C1,0
+Cc1cccc(NC(=O)COC(=O)C(CC2=c3ccccc3=[NH+]C2)NC(=O)OCc2ccccc2)c1C,0
+CCc1ncc(C[NH+](C)Cc2csc(-c3ccc(C(N)=O)cc3)n2)s1,0
+C[NH+](C)Cc1ccccc1CNC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O,0
+CC(C)C[NH2+]CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2,0
+CCc1ccc(C=NNC(=O)C[NH+]2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1,0
+O=C(CC1C(=O)NCC[NH+]1Cc1ccc(F)cc1)NCC1C=c2ccccc2=[NH+]1,0
+CCCCOC(=O)c1cc(NC(=O)Cn2ccc3cc(Br)ccc32)ccc1Cl,0
+COc1ccc(C2C3=C(Nc4nnnn42)c2ccccc2OC3c2ccc(Br)cc2)cc1OC,0
+Cc1ccc(NC(=O)C(C)[NH+](C)CC(=O)Nc2c(C)cccc2C)c(Cl)c1,0
+O=C(Nc1cc(Cl)cc(Br)c1OC(F)F)C1CC(O)C[NH2+]1,0
+CCC(C)NC(=O)CCC(=O)Nc1ccc2[nH+]c(N3CC[NH+](CC)CC3)cc(C)c2c1,0
+Nc1ccc(S(=O)(=O)n2cc(C3=CC[NH2+]CC3)c3cc(F)ccc32)cc1,0
+Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,1
+O=C(Nc1ccc(Br)cc1C(=O)[O-])C1=COCCO1,0
+CC(=O)Nc1ccc2ncnc(N3CCN(C(=O)C(N)Cc4ccc(Cl)cc4)CC3)c2c1,1
+Nc1cc2c(cc1NS(=O)(=O)c1cccs1)OCCO2,0
+CN(Cc1cc(Br)cs1)C(C[NH3+])c1cc(Br)cs1,0
+Cc1ccccc1C(C(C)[NH3+])n1nc(C)c(Br)c1C,0
+O=C(Nc1cc2c3c(c1)CC(=O)N3CCC2)C1COc2ccccc2O1,0
+COc1ccccc1C1CSCC(C(=O)NCC2CCC3CC2C3(C)C)[NH2+]1,0
+CCCc1ccc(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NCc2ccc(F)cc2)cc1,0
+CNC(=O)C1CCCCN1C(c1ccc(Br)s1)C(C)[NH3+],0
+COc1ccc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4C#N)CC3)n2)cc1F,1
+CC1CC(C)CN(C(=O)C[NH+]2CCN(C(C)C(=O)Nc3sc4c(c3C(N)=O)CCC4)CC2)C1,0
+CC([NH2+]CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)c1cccc(Cl)c1,0
+Cc1cc(S(N)(=O)=O)cc(NC(=O)C[NH+](C)C(C)c2ccc(F)c(F)c2)c1C,0
+O=C(Nc1ccc(F)cc1)C(F)(F)c1nc(N2CCOCC2)cc(=O)[nH]1,1
+Cc1ccc(C2CCC[NH+]2CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1C,0
+COc1ccc(Cn2ncc(NC(=O)c3cc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)ccc3C)c2N)cc1,1
+CCOc1ccc(C2CCC[NH+]2Cc2nc(N)nc(Nc3ccc(C)cc3)n2)cc1,0
+CC(C[NH+]1CCCC1)NC(=O)C(C)C(N)=NO,0
+COc1cc(NC(=[NH2+])Nc2nc(CSc3ccc(Cl)cc3)cc(=O)[nH]2)cc(OC)c1,0
+NS(=O)(=O)c1ccc(NCc2ccc(O)c(Cl)c2)c(Br)c1,0
+Cc1ccc(-n2nc(C)c(-c3ccccc3)c2NC(=O)CN(C(=O)NC23CC4CC(CC(C4)C2)C3)C(C)C)cc1,0
+Cc1ccc(NC(=O)C[NH+](C)CC(=O)Nc2ccc(Br)cc2)cc1,0
+Brc1ccc(C2CC(c3cccc(Br)c3)=Nc3nnnn32)cc1,0
+CCCCSc1nc2n(n1)C(c1ccc(OCc3ccc(C)cc3)c(OCC)c1)C(C(N)=O)=C(C)N2,0
+CCNC(=O)Cc1nn(Cc2nc(-c3ccc(C)cc3)cs2)c(=O)c2ccccc12,1
+CC(CNC(=O)NNC(=O)CC1CCCCC1)C[NH+]1CCCCC1,0
+CC(C)c1ccc(NC(=O)C(=O)NN=Cc2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1,0
+CC(C)C(NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCC[NH+]1CCCCCC1,0
+CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C[NH+]1CC2(C)CC1CC(C)(C)C2,0
+CC1(C)CN(C(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c2cccc(F)c21,1
+CC(C)=CC(=O)N1CSCC1C(=O)N1CCC(C)CC1,0
+COc1ccc(C=[NH+]C2C(O)OC(CO)C(O)C2O)cc1,0
+Cc1c(NCCN2CCCC2)cc(COCC(F)(F)F)cc1N1CCN(c2ncnc3[nH]nc(Br)c23)CC1,1
+Cn1cc(C(CN)c2cncc(C=Cc3ccncc3)c2)c2ccccc21,1
+CC(C)C(Sc1nnc(N)n1C)C(=O)[O-],0
+CC(C)(C)C1CCC(C#N)C(N2CCS(=O)(=O)CC2)C1,0
+NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1ccncc1,1
+COc1ccc(C(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)[NH+]2CCCCC2)cc1,0
+CCc1ccc(-n2c(SCC(=O)NCC3CCCO3)nc3n[nH]c(C)c3c2=[NH2+])cc1,0
+CN(C(=O)c1cccc(COc2ccc(N3C(N)=NC(N)=[NH+]C3(C)C)cc2Cl)c1)c1ccccc1,0
+CCOC(=O)c1ccc(NC(=O)CNC(=O)C[NH3+])c(Br)c1,0
+CC(C)C[NH+]1CCN(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC1,0
+COCCNC(=O)C1CC(O)C(O)C2N=C(Nc3cc(OC)cc(OC)c3)SC12,0
+COc1ccc(C(O)=C2C(=O)C(=O)N(CC[NH+](C)C)C2c2ccc(Br)cc2)cc1Cl,0
+CCC([NH3+])C(c1ccc(Br)cc1)N1CCNC(=O)C1,0
+NC1=[NH+]C(=NNC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)c2ccccc21,0
+C=Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CC2CNC2)CC1,1
+CCCC(C)([NH3+])C(=O)Nc1c(Br)cc(C)cc1Br,0
+CCCCn1c(N)c(N(C(=O)C[NH+]2CCCC2c2ccc(OC)cc2)C2CCCC2)c(=O)[nH]c1=O,0
+c1ccc(-c2cc3ccncc3nc2-c2ccc(CN3CCC(c4n[nH]c(-c5ccccn5)n4)CC3)cc2)cc1,1
+COc1ccc(C2CCC[NH+]2Cc2nc(N)nc(Nc3ccc(C)cc3)n2)c(OC)c1,0
+NC1=[NH+]C(c2cccnc2)NC(SCC(=O)N2c3ccccc3CCc3ccccc32)=N1,0
+NC(CCCc1c[nH]cn1)=[NH+]CCC(c1ccc(Cl)cc1)c1ccccn1,0
+CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccccc3)[nH]2)sc2c1CC(C)(C)[NH2+]C2(C)C,0
+CCCC(=O)Nc1cccc(NC(=O)NCCC[NH+](C)C2CCCCC2)c1C,0
+Cc1nc2nc(N)nn2c(C)c1CC(=O)NCC(c1ccsc1)[NH+](C)C,0
+COc1cc2cc3c(N)c(C(=O)Nc4sc(C)c(C)c4C#N)sc3[nH+]c2cc1OC,0
+Cc1occc1-c1nc(N)c(OCC(N)Cc2ccccc2)cc1-c1cnc2[nH]nc(C)c2n1,1
+COc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(C[NH+](Cc3ccccc3)Cc3ccc(C)cc3)o2)cc1,0
+CC(=O)[NH+]=c1ccc2c(C[NH+](Cc3ccc(C(N)=O)cc3)C3CC3)cc(O)oc-2c1,0
+COCC1CCC[NH+]1C1C(CNS(=O)(=O)c2ccc(C)cc2)OC(CO)C1O,0
+Cn1c(N)c(C(=O)C[NH+]2CCC(CO)CC2)c(=O)n(C)c1=O,0
+Cc1[nH+]c(N)ccc1CNC(=O)Cn1c(C)ccc(NCCc2ccccc2)c1=O,0
+OC(C[NH2+]CC(O)C1CCc2ccccc2O1)C1CCc2ccccc2O1,0
+O=C1CCCN1CCC[NH2+]Cc1c(OCc2c(F)cccc2Cl)ccc2ccccc12,0
+OC1(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)CCCCC1,0
+O=C(CNC(=O)c1cccc(Br)c1)NNC1=c2cc([N+](=O)[O-])ccc2=[NH+]C1=O,0
+CC(C)[NH+]1CCc2c(sc(NC(=O)c3cc4c(ccc5ccccc54)oc3=O)c2C(N)=O)C1,0
+N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(Cl)c3)cn2CCN2CCCC2)CC1,1
+Cc1n[nH]c2ccc(-c3cncc(OCCCC(N)Cc4ccccc4)c3)cc12,1
+CCc1ccc(NC(=O)C(C)OC(=O)C(CC2=c3ccccc3=[NH+]C2)NC(N)=O)cc1,0
+Cc1ccc(-c2cnc3cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nn23)cc1,1
+CCc1cc(OC)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+CC(C)C(NC(=O)CCCCC[NH3+])c1nc(-c2ccc(Br)cc2)no1,0
+CC(Oc1ccc(F)cc1)C(=O)NNC(=O)NCc1cc[nH+]c(N(C)C)c1,0
+NC(=O)NC(=O)CC[NH+]1CCCC1c1ccc2c(c1)OCCO2,0
+CC(OCC(O)Cn1c(NCCO)[nH+]c2ccccc21)c1ccc(Cl)cc1,0
+[NH2+]=C(NN=Cc1ccc(Br)cc1)NN=Cc1ccc(Br)cc1,0
+COc1cccc(C=NNc2nc(SCCC(=O)N(c3ccccc3)c3ccccc3)n[nH]2)c1O,0
+Cc1cccc(NC(=O)c2cc3cc(Cl)cc(Cl)c3oc2=[NH+]c2ccc(S(N)(=O)=O)cc2)c1,0
+Cc1ccc(NC(=O)Nc2cccc3c2CC[NH+](CC(=O)NCC#N)C3)cc1,0
+Cn1nccc1-c1csc(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CCNCC2)c1,1
+CC(C)CCCC1(C)CCc2cc(S(N)(=O)=O)cc(Br)c2O1,1
+CCCc1c(-c2ccc(-c3ccccc3)cc2)c(C(N)=O)c(C)n1CCC[NH+](C)C,0
+CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1,1
+c1ccc(-c2cc3cccnc3nc2-c2ccc(CN3CCC(c4n[nH]c(-c5ccccn5)n4)CC3)cc2)cc1,1
+CC1Cc2c(Cl)cccc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)[nH]1,1
+COc1cccc(-c2nnc(SCc3cc(O)oc4cc(=[NH+]C(C)=O)ccc3-4)n2-c2ccccc2)c1,0
+CC(N)C(c1cc(Br)cs1)[NH+](CCO)C1CCCCC1,0
+COc1ccc(N)cc1S(=O)(=O)NC(C)c1ccc(C)s1,0
+COCCNC(=S)NCC1CC2CC[NH+]1CC2C[NH+]1CCN(c2ncccn2)CC1,0
+Cc1cccc(-c2nc(C3CCN(Cc4ccc(-c5nc6nc(C7CC7)nn6cc5-c5ccc(F)cc5)cc4)CC3)n[nH]2)n1,1
+COc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCc1ccccc1F,0
+COc1ccc(OC)c(NC(=O)Nc2ccc(C3C=c4cc(Cl)ccc4=[NH+]3)cc2)c1,0
+C[NH+](C)CCN1C(C(=O)c2ccccc2)=C(OC(=O)c2ccc(Cl)cc2)c2ccccc2S1(=O)=O,0
+Cc1ccc(-c2nc(CC(=O)Nc3cccc(C[NH+]4CCCC4C(N)=O)c3)cs2)o1,0
+COc1ccc(-n2nc3nc(N4CCC[NH2+]CC4)nc(-c4ccc(Cl)cc4)c3c2N)cc1,0
+CSCCC([NH3+])C(=O)NC(C)c1ccc2c(c1)CCCC2,0
+Cc1ccc(C(=O)OC(C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1O,0
+NC1(c2ccc(-c3nc4ccc5nnc(C(F)F)n5c4cc3-c3ccccc3)cc2)CC(O)(C2CC2)C1,1
+CCNC(=[NH+]CCc1ccc(S(N)(=O)=O)cc1)SC1CC(=O)N(c2ccccc2)C1=O,0
+COc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2C)CC1,1
+O=C(NCCC1=c2cc(F)ccc2=[NH+]C1)C(=O)Nc1cccc2c(O)cccc12,0
+COc1ccccc1CC1CCC[NH+](C(C)C(=O)NC(N)=O)C1,0
+NCc1ccc(-n2c(-c3cccnc3N)nc3cccnc32)cc1,1
+CN(Cc1ccccc1N1CCOCC1)C(=O)C(CC1=c2ccccc2=[NH+]C1)NC(N)=O,0
+c1ccc(-c2cc3ncccc3nc2-c2ccc(CN3CCC(c4n[nH]c(-c5ccccn5)n4)CC3)cc2)cc1,1
+Cc1cc(NC(=O)CSc2nnc(C(C)[NH+](C)C)n2-c2ccc(F)cc2)ccc1Br,0
+Cc1ccc(NC(=O)C[NH+](CC(=O)Nc2ccc(C)cc2C)CC2COc3ccccc3O2)c(C)c1,0
+COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[NH+](C(C)C)C3)cc1,0
+Cc1cc(F)ccc1CC(N)COc1cncc(-c2cc3c(C)n[nH]c3cn2)c1,1
+Cc1c(C#N)c(NC(=O)C[NH+]2Cc3ccccc3CC2C(N)=O)n(Cc2ccco2)c1C,0
+NS(=O)(=O)CCC[NH2+]Cc1cc2c(cc1Br)OCO2,0
+CCCCn1c(COC(=O)C(O)(c2ccccc2)c2ccccc2)nc2cc(S(N)(=O)=O)ccc21,0
+Nc1nc(N2CCOCC2)cc(N2CCC([NH+]3CCCC(CO)C3)CC2)n1,0
+Cc1c(C(N)=O)sc(NC(=O)CN2CC[NH+](Cc3ccco3)CC2)c1C(=O)OC(C)C,0
+Nc1ncnc(N2CCN(C(=O)C(N)Cc3ccccc3)CC2)c1Br,1
+CC(C)C(Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1)C(=O)NC(N)=O,0
+CCC([NH2+]CCCS(N)(=O)=O)c1cc(Br)ccc1O,0
+COC(=O)c1c(NC(=O)c2ccc(Cc3ccccc3)cc2)sc2c1CC(C)(C)[NH2+]C2(C)C,0
+CCCCOc1ccc(C=N[NH+]=C(Nc2ccc(C)cc2)c2nc3ccccc3[nH]2)cc1OC,0
+CCC([NH3+])C(Oc1ccccc1I)c1sccc1C,0
+O=C(Nc1ccccc1C(F)(F)F)c1cc2n(n1)C(C(F)(F)F)CC(c1ccc3c(c1)OCO3)N2,0
+CC1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)[nH]1,1
+CCOc1ccc2c(c1)=[NH+]C(SCC(=O)NCCNC(=O)c1ccc(C)cc1)[NH+]=2,0
+Cc1cc(S(N)(=O)=O)cc(NC(=O)C[NH+]2CCCC2c2ccc(O)cc2)c1C,0
+CC1=NN2C(NC(C)C2CNC(=O)C2C=c3ccccc3=[NH+]2)S1,0
+[NH3+]Cc1ccc(S(=O)(=O)N=c2[nH]c3c(s2)CCC3)s1,0
+CCCOc1c(Br)cc(C[NH2+]CCNCC(C)O)cc1Br,0
+CCOC1=CC2CC3COP(=O)(S(=O)(=O)Oc4ccccc4)N[NH+]3CC2C=C1Cc1ccccc1,0
+CC1([NH2+]C2CCCCCC2O)CCS(=O)(=O)C1,0
+Cc1ccc(NC(=O)NC(=O)C(C)[NH+]2CCN(c3ccc(O)cc3)CC2)c(C)c1,0
+NC(NCC1(c2ccc(Br)cc2)CCOCC1)=[NH+]C1CC1,0
+C=CCNC(=O)C[NH+]1CCN(CC(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)CC1,0
+Cc1ccncc1S(=O)(=O)NCC(O)CN1CCCC2(CCN(c3ncnc(N)c3C3CC3)C2)C1,1
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)c(F)c2)c1,1
+COc1ccc(C(CNC(=O)C2CN(C(=O)COc3cccc(Cl)c3)CC23CC[NH2+]CC3)[NH+](C)C)cc1,0
+O=C1NC2(CCCCC2)C(=O)N1C[NH+]1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1,0
+Cc1c(NC(=O)c2c(NC(=O)C[NH2+]C3CC3)sc3c2CCCC3)c(=O)n(-c2ccccc2)n1C,0
+C[NH+](Cc1ccccc1)C1C(CNC(=O)c2ccc(C(F)(F)F)cc2)OC(CO)C1O,0
+CC[NH+]1CCN(c2c(C=C3SC(=S)N(C(C)C)C3=O)c(C)c(C#N)c(=O)n2C)CC1,0
+CC([NH3+])C(c1ccc(Br)s1)N(C)C(C)c1ccc(Cl)cc1,0
+COc1c(Cl)cc(C(=O)N2CC(C(=O)NC(C)CCCC(C)(C)O)C3(CC[NH2+]CC3)C2)cc1Cl,0
+NC(=O)NC(=O)C[NH+]1CCCCC1C(=O)Nc1ccc(Cl)c(Cl)c1,0
+NC(=O)c1cc2ccc(O)cc2oc1=[NH+]c1ccccc1Cl,0
+Cc1noc(C)c1Cn1ncc(N2CCOC(CC[NH3+])C2)cc1=O,0
+Cc1sc2nc(CC[NH3+])nc(NC(C)c3ccc(S(C)(=O)=O)cc3)c2c1C,0
+CC(CC[NH+](C)C)NS(=O)(=O)c1cc(Cl)cc(N)c1Br,0
+CNC(=O)C(C)NC(=O)C1CN(C(=O)c2ccccc2OC)CC12CC[NH2+]CC2,0
+COC(=O)C1=C(CN2CC[NH+](C)CC2)NC(=O)NC1c1ccc(C)cc1C,0
+CNc1c(-c2ccccc2)c(-c2ccc(CN3CC(c4n[nH]c(-c5cccc(C)n5)n4)C3)cc2)nc2nc(C)cn12,1
+CCCc1ccc(C([NH3+])CN2CCCCCCC2=O)cc1,0
+O=C(NCCOc1ccccc1F)C1CN(C(=O)COc2cccc(Cl)c2)CC12CC[NH2+]CC2,0
+CC([NH2+]CC([O-])C[NH+]1CCCC1)c1ccccc1Cl,0
+Cc1ccc(NC(=O)C2Nc3ccc(Cl)cc3S(=O)(=O)N2)c(C)c1,0
+O=C(NCCN1CC[NH2+]CC1)C(=Cc1ccccc1Cl)NC(=O)c1ccccc1Cl,0
+C=CCNC(=O)C(C)Oc1ccc(Br)cc1C(C)O,0
+CC(NC(=O)C1CCC1)C(=O)NNC(=S)Nc1cccc(Br)c1,0
+CNS(=O)(=O)c1cccc(C(C)NC(=O)NCC2([NH+](C)C)CCCCC2)c1,0
+CC(c1nnc(SCC(=O)Nc2ccccc2Cc2ccccc2)n1-c1ccc(F)cc1)[NH+](C)C,0
+CC[NH+](CC)CCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2C1c1ccc(C(C)C)cc1,0
+CC(NC=C1C=c2ccccc2=[NH+]C1=O)c1ccc(S(N)(=O)=O)cc1,0
+O=c1cc(-c2ccccc2)c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2o1,0
+NC1(c2ccc(-c3nc4ccc(F)cn4c3-c3ccccc3)cc2)CCC1,1
+NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2nc[nH]c3nccc2-3)CC1,1
+CCOC1CC[NH+](C2CC(C(C)(C)C)CCC2N)CC1,0
+CNS(=O)(=O)c1cccc(C(C)NC(=O)NCC(C)(C)[NH+](C)C)c1,0
+Cc1ccc(C(=O)NC(=Cc2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)NCCO)cc1,0
+CCC(NC(=O)Nc1ccc(C(=O)NCC[NH+](CC)CC)cc1)C(C)C,0
+Cc1nc(N(C)C)cc(Nc2ccc(NC(=O)Nc3ccc4ccccc4c3)cc2)[nH+]1,0
+CC(C(=O)Nc1sc2c(c1C(N)=O)CCC2)[NH+](C)Cc1ccc(Br)cc1,0
+O=C(COc1ccc(Br)cc1)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1,0
+CC1CCCC(NS(=O)(=O)Cc2ccccc2C[NH3+])C1C,0
+Clc1ccc(N2C(SCc3nc4ccccc4[nH]3)NNC2c2cc[nH+]cc2)cc1,0
+CCCn1c(=O)sc2cc(S(=O)(=O)N3CCN(C(=O)CCC4=c5ccccc5=[NH+]C4)CC3)ccc21,0
+CC(Cl)C(=O)NC(=O)NCC1CCC[NH+](C)C1,0
+CCOc1cccc(C(=O)N2CC(C(=O)NC(C)c3ccc(Br)cc3)C3(CC[NH2+]CC3)C2)c1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2c(-c3ccccc3)cccc21,1
+CNC(=O)c1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1,1
+CCn1cc(C=CC(C)c2cn(CC)c(=O)[nH]c2=O)c(=O)[nH]c1=O,0
+CC(C)CNC(=O)NC(=O)C[NH+](C)CC(=O)Nc1c(Cl)cccc1Cl,0
+Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)C([NH3+])CC(C)C)cc2)cc1,0
+Cc1cc(Br)c(NC(=O)C[NH+]2CCCCC2C(N)=O)c(Br)c1,0
+CCOC(=O)c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+Nc1[nH+]cccc1CN1CCc2[nH]nc(-c3cccc4ccccc34)c2C1,0
+O=C(NC(NC(=S)Nc1ccc2ccccc2c1)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-],0
+CSCCC(NC(=O)c1ccc(Br)cc1)C(=O)N1CCC2(CC1)[NH2+]CCC1=NC=NC12,0
+C[NH+](CCC(=O)Nc1c(N)cc(Cl)cc1Cl)C1CCSC1,0
+COC(=O)c1cn2cc(-c3ccccc3)c(-c3ccc(CN4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)nc2n1,1
+CCCC(C)C(=O)N1CC(C(=O)NCc2cccc(C)c2C)C2(CC[NH2+]CC2)C1,0
+O=C(NCC1OC(CO)C(O)C1[NH+]1CCc2ccccc2C1)Nc1cccc(Cl)c1,0
+CCCn1c(C([NH3+])C2CCCCC2)nc2c(F)cccc21,0
+O=C(NC(c1ccc(Cl)c(Cl)c1)C1CCCNC1)c1ccc2cnccc2c1,1
+CCc1ccc(C(C[N-]S(=O)(=O)Oc2ccccc2)[NH+]2CC[NH2+]C(c3ccccc3O)C2)cc1,0
+CCn1nccc1-c1ccc(C(=O)NC2CNCCC2c2ccc(F)c(F)c2)c(F)c1.Cl,1
+CC(NC(=O)CSc1ccccc1Cl)c1cccc(S(N)(=O)=O)c1,0
+NC(=[NH2+])c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1Cl,0
+COc1c(Br)cc(Cl)cc1S(=O)(=O)NC1CCCCC1[NH3+],0
+CCC([NH3+])C(c1cc(Br)cs1)N1CCC(O)C1,0
+C=CCNC(=S)NC(CC1=c2ccccc2=[NH+]C1)C(=O)NCc1ccco1,0
+NC(COc1cncc(-c2ccc3c(Cl)nccc3c2)c1)Cc1c[nH]c2ccccc12,1
+CCCC[NH+]1Cc2cccc(NC(=O)CC(NC(N)=O)c3cccs3)c2C1,0
+CCCn1cc(Br)cc1C(=O)N1CCCCC1C(C)[NH3+],0
+Cc1c(Cl)cccc1NC(=O)C(=O)NCC(c1ccc(N(C)C)cc1)[NH+]1CCc2ccccc2C1,0
+CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccncc3)COc3cccc(F)c3-4)cc2)C1,1
+O=C(c1ccco1)N1CC[NH+](CCc2ccc(NCC(c3ccccc3)c3ccccc3)cc2)CC1,0
+CCCOc1ccc(C(O)(c2ccccc2OC)C(C[NH+]2CCCCC2)c2ccccc2)cc1,0
+COc1ccccc1C(O)(c1ccc(Br)cc1)C(C[NH+]1CCCCC1)c1ccccc1,0
+CCC([NH3+])C(Sc1n[nH]c(=O)n1C1CC1)c1cc(Br)cs1,0
+Nc1ncnc(Cl)c1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(C2(N)CCC2)cc1,1
+NC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3ccnc(C(F)(F)F)c3)cn2CCN2CCC2)CC1,1
+CC(NC(=O)c1cccc(-c2ccc3c(c2)C(O)CC2(CC[NH+](C)CC2)O3)c1)c1ccccc1,0
+NS(=O)(=O)c1ccc([NH+]=c2oc3cc(O)ccc3cc2C(=O)Nc2ccccc2F)cc1,0
+CCOc1cc(C[NH2+]CCCO)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1,0
+CC(C)(C)C1CCc2c(sc3ncn(CC(=O)N4CCCCCC4)c(=O)c23)C1,0
+CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC,1
+CNC(=O)NC(=O)C(C)[NH+]1CCC(C(O)c2ccc(Cl)cc2)CC1,0
+NS(=O)(=O)c1ccc(NCc2ccoc2)c(Br)c1,0
+Cc1ccc(S(=O)(=O)Nc2ccc(O)c(C3=C([NH+]4CCOCC4)C(=Cc4ccccc4)CC3)c2)cc1,0
+CC(c1cccc(S(N)(=O)=O)c1)[NH+](C)CC(=O)Nc1ccccc1Sc1ccccc1,0
+CCOc1cc(C[NH2+]C2CCCCCC2)cc(Cl)c1OCC(N)=O,0
+C[n+]1c(NNC(=O)c2ccc(N)c([N+](=O)[O-])c2)sc2ccccc21,0
+Cc1cc2oc3c(c(=O)c2cc1C)C(c1ccc(F)cc1)N(CC1CCCO1)C3=O,0
+CC(c1ccccc1Cl)[NH+](C)CC(=O)NCc1ccc(S(N)(=O)=O)cc1,0
+NS(=O)(=O)c1ccc(CNc2nc3ccccc3o2)s1,0
+Cc1ccc(C(CNF)N2CC[NH2+]C(c3ccccc3O)C2)cc1,0
+CCc1cccc(CC)c1NC(=S)N(Cc1ccccn1)C1CC(C)(C)[NH2+]C(C)(C)C1,0
+Cn1cccc1-c1n[nH]c2cnc(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12,1
+CCOc1cc(C[NH2+]C(C)(C)CO)ccc1OCc1c(F)cccc1Cl,0
+Cc1ccc(N2C(=O)Nc3ccc(Br)cc3C2(O)C(=O)NCC[NH+](C)C)cc1C,0
+CC([NH2+]C1CCCC1)(C(N)=O)c1cccc(Br)c1,0
+COCCn1c(N)c(C(=O)C[NH+]2CC3CC4CC(C3)CC2C4)c(=O)[nH]c1=O,0
+N#Cc1ccccc1N1C(=O)C(=Cc2csc([N+](=O)[O-])c2)SC1=S,0
+CC1CCc2c(sc(NC(=O)CCCC3=c4ccccc4=[NH+]C3)c2C(N)=O)C1,0
+CC[NH+](CC)C(CNC(=O)NCC(=O)Nc1c(C)cc(C)cc1C)CC(C)C,0
+COc1cc(-c2[nH+]c3ccccn3c2NC(C)(C)CC(C)(C)C)ccc1OS(=O)(=O)c1ccc(C)cc1,0
+Cc1ccc(NC(c2ccncc2)c2cc(Cl)c3cccnc3c2O)[nH+]c1,0
+CC1(C)CC(NC(=O)C(=O)NCC2COc3ccccc3O2)CC(C)(C)[NH2+]1,0
+CC1(CO)C(O)CCC2(C)C(CC(=O)Nc3ccccc3)c3[nH+]c(NCc4ccccc4)sc3CC12,0
+C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCc2ccccc2Cl)c1,0
+Cc1n[nH]c2sc(C(N)=O)c(NC(=O)Nc3ccccc3)c12,1
+CCc1ccccc1NC(=O)C[NH+](C)C(C)C(=O)Nc1sccc1C(N)=O,0
+Cc1cc(NC(=O)NCC(C(C)C)[NH+]2CCCC2)ccc1C(=O)NC(C)C,0
+CC[NH+](CC)CCNC(C(N)=O)c1cc(Br)ccc1OC,0
+NC1(c2ccc(-c3nc4c5cccc(-c6ccc(CO)cc6)c5nn4cc3-c3ccccc3)cc2)CCC1,1
+O=C1[NH+]=c2ccccc2=[NH+]C1C(=NNc1ccc(I)cc1)C(O)C(O)CO,0
+Nc1cc(C2CCCCCC2)[nH+]n1C1CCS(=O)(=O)C1,0
+COc1ccccc1C(=O)NC(=S)Nc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1,0
+CC(=O)Oc1cccc(C(=O)N2CC(C(=O)NC(C)Cc3ccc(F)cc3)C3(CC[NH2+]CC3)C2)c1C,0
+NC(=O)c1cnc(-c2ccc(C3(N)CCC3)cc2)c(-c2ccccc2)c1,1
+Cc1cccc(C)c1NS(=O)(=O)Cc1cccc(C[NH3+])c1,0
+NC(=O)c1ccc(NC2CNCCC2c2ccc(F)c(Cl)c2)c2cncnc12,1
+CCOc1cc(Br)cc2cc(C(N)=O)c(=[NH+]NS(=O)(=O)c3ccc(C)cc3)oc12,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1c2ccccc2C2CCCC21,1
+Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2C(C)(C)COC3c2ccccc2)cc1,0
+COc1ccc(Br)cc1C[NH+](C)CC(C)C(N)=S,0
+CC([NH2+]Cc1ccc(F)cc1)c1ccc(S(N)(=O)=O)cc1,0
+CC([NH2+]CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(S(N)(=O)=O)cc1,0
+O=C(NCCOc1ccccc1Cl)C1CN(C(=O)c2csc3ccccc23)CC12CC[NH2+]CC2,0
+CC([NH3+])C(c1ccc(Br)cc1)N1CCNC(=O)C1,0
+NC1(c2ccc(-c3nc4c5ccc(-c6ccc(F)c(O)c6)cc5nn4cc3-c3ccccc3)cc2)CCC1,1
+NC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3cccc(C(F)(F)F)c3)cn2CCN2CCCC2)CC1,1
+C#CCn1c(=NC(=O)C2CCCO2)sc2cc(S(N)(=O)=O)ccc21,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2c(F)cc(F)cc21,1
+CCC[NH2+]Cc1cc(Cl)cc(Cl)c1OC1CCCCC1O,0
+CC([NH2+]CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc2c(c1)CCCC2,0
+NS(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccccc3O)SC2=S)cc1,0
+Cc1ccccc1OCC(O)C[NH+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C1CC1,0
+NC(Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccnc3ccnn23)CC1,1
+C[NH+](CC(=O)NCCc1ccc(F)cc1)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1,0
+COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)Nc3cc(Cl)ccc3F)C2=O)cc1,0
+CCOc1ccc(NC(=O)Nc2ccc(C3C=c4cc(F)ccc4=[NH+]3)cc2)cc1,0
+CC(c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC(=O)NCCCc1ccccc1,0
+CC(C)CC(NC(=O)C1Cc2ccccc2C[NH2+]1)C(=O)NCc1ccco1,0
+CCCCn1c(=S)[nH]c([O-])c(C2[NH2+]CCC3=c4ccccc4=[NH+]C32)c1=O,0
+C=Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN2CCCC2)CC1,1
+CC(C)[NH+]1CCNC(=O)C1CC(=O)NCCN1CCNC1=O,0
+CCCOc1c(Br)cc(C2NC(=[NH2+])Nc3nc4ccccc4n32)cc1OC,0
+CC1CCCCN1S(=O)(=O)c1cc2c3c(c1)CC(=O)N3CCC2,0
+CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCCCCN)c21,1
+CC(C)c1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C#N)c2=O)cc1,0
+COc1ccc(S(=O)(=O)N2CC[NH+](C(C)C(=O)Nc3sccc3C(N)=O)CC2)cc1[N+](=O)[O-],0
+CCONCC(c1ccc(-c2ccccc2)cc1)N1CC[NH2+]C(c2ccccc2O)C1,0
+Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1CCC1=c2ccccc2=[NH+]C1,0
+CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[NH+](C)C3)cc1,0
+Oc1ccc(C[NH2+]C2CCOc3ccccc32)cc1Br,0
+CC(=O)[NH+]=c1ccc2c(CSc3nnc(-c4ccc(Cl)cc4)n3C)cc(O)oc-2c1,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12,1
+C[NH+]1CCN(C(=O)c2cccc(NC(=O)COc3ccc(Br)cc3Br)c2)CC1,0
+[NH3+]C1(C(=O)NC2CCCC(OCC(F)(F)F)C2)CCCC1,0
+C[NH+](C)C(CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C1CCCCC1,0
+Cc1cc(C[NH2+]C(C)c2ccc(S(N)(=O)=O)cc2)c(C)s1,0
+Oc1ccccc1C1CN(C(CNI)c2ccc(-c3ccccc3)cc2)CC[NH2+]1,0
+CCCCN(C(=O)C[NH+](C)CCOc1ccc(Cl)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O,0
+Nc1ncccc1-c1nc2cc(C3CCCC3)cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,1
+CN(C)CCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2C2CC2)CC1,1
+Cc1cc2c(n1-c1cccc([N+](=O)[O-])c1)CCCC2[NH3+],0
+C=CCOc1ccccc1C[NH2+]CCc1ccc(S(N)(=O)=O)cc1,0
+C[NH+](Cc1cc([N+](=O)[O-])ccc1NN)C1CCS(=O)(=O)C1,0
+COC1=C2Nc3ccccc3C[NH+]2C(C(=O)N(c2ccccc2O)c2ccccc2O)C1,0
+CCCC([NH2+]Cc1ccc(C(N)=O)cc1F)c1cccs1,0
+CC1CCCC([NH2+]CC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)C1C,0
+CCC([NH3+])C(c1ccc(Br)s1)N(C)CCc1ccccn1,0
+CC(NC(=O)C(=O)NCCC1=c2ccccc2=[NH+]C1)C(c1cccs1)N1CC[NH+](C)CC1,0
+N#Cc1c(NC(=O)CCN2CC[NH+](CC(=O)Nc3ccccc3Cl)CC2)sc2c1CCCC2,0
+CC([NH3+])CCNS(=O)(=O)c1sccc1Br,0
+COc1ccc(N2C(=O)CC(SC(=[NH2+])NN=C(C)c3ccccc3O)C2=O)cc1,0
+O=C(c1cc2c(s1)CCCC2)N1CCN(C(=O)N2CCCCC2)CC1,0
+COc1ccc(C2=NN=C3C(=O)NC(c4ccc(O)cc4)C32)cc1,0
+O=C(NCCCN(C(=O)Nc1ccccc1F)c1ccc(F)cc1)Nc1ccc(Br)cc1,0
+CCn1cc(S(=O)(=O)N(C)c2ccc(C)cc2C)c(N)n1,0
+CNC(=O)Nc1cc(C)cc2c1=[NH+]C(C(=O)NCc1ccc(OC(C)C)cc1)C=2c1ccccc1,0
+Nc1nonc1N1N=NC(C(=O)[O-])C1CSC1[NH+]=c2ccccc2=[NH+]1,0
+NC1(c2ccc(-c3nc4cc(-c5cnc[nH]5)ccn4c3-c3ccccc3)cc2)CCC1,1
+Cc1ccc(SCCCC(=O)Nc2sc3c(c2C(N)=O)CC[NH+](C)C3)cc1,0
+Cc1ccc(NC(=O)C2CC(O)C[NH2+]2)cc1I,0
+Nc1ncccc1-c1nc2cc(-c3ccccc3)cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,1
+CCCCC(NC(N)=O)C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1,0
+CCc1c(N)ncnc1N1CCC(c2nc(-c3ccnc(C(F)(F)F)c3)cn2CCN2CCC2)CC1,1
+CC1CCCC[NH+]1CCCNC(=O)CN1C(=O)C(=Cc2ccc(Cl)cc2)Sc2ccccc21,0
+CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(F)c3)cn2CCN2CC(F)C2)CC1,1
+O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4ccc(-n5cnnn5)cc4nc3-c3ccccc3)cc2)CC1,1
+CCC[NH+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)c2C(N)=O)C1,0
+NC(=O)C1CCC[NH+]1Cc1cccc(NC(=O)NCCC2CC3CCC2C3)c1,0
+Oc1ccc[nH+]c1NC(c1ccc(Br)cc1)c1ccc2cccnc2c1O,0
+CCCCC(C)C(=O)N1CC(C(=O)NCCc2ccc(O)c(O)c2)C2(CC[NH2+]CC2)C1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cc(Cl)c(F)c(Cl)c1,1
+CC(C)(C)P(=NC(=S)NN=Cc1cccc(O)c1O)(N1CCOCC1)N1CCOCC1,0
+CC1(C)CC(NC(=S)N(Cc2cccc(F)c2)CC2CCCO2)CC(C)(C)[NH2+]1,0
+Cn1ncc(Cl)c1-c1ccc(C(=O)NC2CNCCC2c2cccc(F)c2)nc1,1
+Cc1cc(C)c(N2C(=O)C(C3NCCc4c3[nH]c3ccccc43)C(O)=NC2O)c(C)c1,0
+Cc1ccc(NC(=O)C(Cc2ccccc2)NC(=O)C2Cc3ccccc3C[NH2+]2)c(C)c1,0
+O=C([O-])Cc1nnc(SCC(=O)Nc2cc3ccccc3cc2C(=O)[O-])n1Cc1ccccc1,0
+OCC[NH+](CCO)CC(O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21,0
+CC(CNC(=O)NNC(=O)CCSc1ccc(F)cc1)C[NH+]1CCCCC1,0
+CCOc1ccccc1[NH+]=c1oc2c(C)ncc(CO)c2cc1C(=O)Nc1ccccc1Cl,0
+CCCC(C)C(=O)N1CC(C(=O)NCCNc2ccccc2)C2(CC[NH2+]CC2)C1,0
+COc1cc(C[NH2+]C(C)c2cc(C)sc2C)cc(Br)c1O,0
+CC1CC[NH+](CC(O)CNC(=O)Nc2ccc(OC(C)C)cc2F)CC1,0
+NC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN2CCCC2)CC1,1
+CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCCN)c21,1
+Cc1ccc(CNC(=O)C(C)NC(=O)C2Cc3ccccc3C[NH2+]2)cc1,0
+CCCC(C)C(=O)N1CC(C(=O)NCc2ccccc2Sc2ccccc2CO)C2(CC[NH2+]CC2)C1,0
+CSCCC(NC(=O)C1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc(C(C)C)cc1,0
+COC(=O)COc1ccc(Br)cc1C=C(C#N)C1[NH+]=c2ccc(OC)cc2=[NH+]1,0
+CC1CC[NH+](CC(O)CNC(=O)NCCc2nnc3n2CCCCC3)CC1,0
+CC1(C)Cc2c(sc(NC(=O)c3cc4c(ccc5ccccc54)oc3=O)c2C(N)=O)C(C)(C)[NH2+]1,0
+NC(=O)C1(Nc2ccccc2Br)CC[NH+](C2CC2)C1,0
+O=C(N1CCN(c2ncnc3[nH]cc(Br)c23)CC1)C1(c2cccc(Br)c2)CCNCC1,1
+c1ccc(-c2nc3ccccc3nc2-c2ccc(CN3CCC(c4cc(-c5ccncc5)[nH]n4)CC3)cc2)cc1,1
+CC1CCC[NH+](C(C)(C)CNC(=O)NNC(=O)OC(C)(C)C)C1,0
+C[NH+]1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5,0
+CNC(=S)N1N=C(C2C(=O)[NH+]=c3ccc(Cl)cc3=C2c2ccccc2)CC1c1ccc(OC)cc1,0
+CCOc1ccc(C(=O)N2CC(C(=O)NC(C)CCCC(C)(C)O)C3(CC[NH2+]CC3)C2)cc1,0
+COc1ccc(NC(=[NH2+])Nc2nc(CSc3ccc(C)cc3)cc(=O)[nH]2)cc1,0
+NS(=O)(=O)c1ccc(C[NH2+]C(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c2ccccc2)cc1,0
+COc1cc(C2C3=C(CCCC3=O)Nc3[nH]nc(O)c32)cc(I)c1O,0
+CC(NC(=O)N1CCCC1)c1ccc(S(N)(=O)=O)cc1,0
+CC1SCc2ncnc(N3CCN(C(=O)C(Cc4ccc(Cl)cc4)CC(C)(C)N)CC3)c21,1
+NC(=O)COc1c(Cl)cc(S(=O)(=O)c2cc(Cl)c(OCC(N)=O)c(Cl)c2)cc1Cl,0
+Cc1ccc(C(=O)NC2CC[NH+](C(C)C(=O)NC(=O)NC(C)C)CC2)s1,0
+O=C(COc1coc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1=O)Nc1ccccc1C(F)(F)F,0
+CCOc1ccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CC[NH+](CC)CC)cc1,0
+CCOc1ccc(C(=O)N2CC(C(=O)NC(C(=O)NC(C)(C)C)C(C)C)C3(CC[NH2+]CC3)C2)cc1,0
+CCC1CN(C(C[NH3+])c2cc(Br)cs2)CCO1,0
+O=C(NCCNc1ccccc1)C1CN(C(=O)C2COc3ccccc3O2)CC12CC[NH2+]CC2,0
+COc1ccc(CCC(=O)N2CC(C(=O)NCCNC(=O)OC(C)(C)C)C3(CC[NH2+]CC3)C2)cc1,0
+COc1ccc2[nH]c3c(c2c1)CC[NH2+]C3c1c([O-])[nH]c(=O)n(-c2cccc(C)c2)c1=O,0
+Cc1ccc(C2=NN(C(=O)CSC(N)=[NH2+])C(c3ccco3)C2)cc1,0
+Cc1cccc(COc2ccccc2C2[NH2+]C(C(=O)[O-])CS2)c1,0
+CCc1cccc(C)c1NC(=S)N(Cc1ccccc1C)C1CC(C)(C)[NH2+]C(C)(C)C1,0
+Cc1ccc(NC(=[NH2+])Nc2nc(CSc3nc4ccccc4s3)cc(=O)[nH]2)c(C)c1,0
+CSc1ccc(C(c2cc(C)sc2NC(=O)c2ccco2)[NH+]2CCC(C)CC2)cc1,0
+NC1(c2ccc(-c3nc4ccc(-c5cnc[nH]5)cn4c3-c3ccccc3)cc2)CCC1,1
+CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCC(c3ccccc3Cl)[NH+](C)C)CC2)cc1,0
+Nc1ncccc1-c1nc2cc(-c3cccnc3)cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,1
+O=C(C[NH+]1Cc2ccccc2C(c2ccccc2)C1)Nc1cc2c(cc1Br)OCCO2,0
+O=S(=O)(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1cccc(Cl)c1,1
+NC(COc1cncc(C=Cc2ccnc(-n3ccc4ccccc43)c2)c1)Cc1c[nH]c2ccccc12,1
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)C(Oc2ccccc2)C(C)C)CC12CC[NH2+]CC2,0
+CN(C)c1c(Cl)cccc1NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1,0
+COc1cc(C[NH2+]Cc2cc[nH]n2)cc(Br)c1O,0
+O=C1NC(=O)C2(CCN(C(=O)C3CC(O)C[NH2+]3)CC2)N1,0
+NC(=O)Cc1ccccc1NC(=O)N1CCC[NH+](Cc2cccs2)CC1,0
+CC(NC(=O)NC(C)C1CCCCC1)C(=O)[O-],0
+Cc1ccc(C2=CC(C(=O)NCCC3=c4ccccc4=[NH+]C3)NN2C2CCS(=O)(=O)C2)cc1,0
+CCOC(=O)C1=C(CN2CCN(c3ccc(C)cc3C)CC2)NC(=O)NC1c1cccs1,0
+Cc1ccc(C2(c3ccccc3)NC(=O)N(CN3CC[NH+](CC=Cc4ccccc4)CC3)C2=O)cc1C,0
+Cc1ccc([N+](=O)[O-])cc1NNC1=[NH+]C(CO)(CO)COC1=O,0
+CC([NH2+]CC(O)COc1ccccc1Cl)c1ccc(Cl)s1,0
+CCOC(=O)C1=C(CSc2ncc3ccccn23)NC(=O)NC1c1ccc(Cl)cc1,0
+C[NH+](C)CCNS(=O)(=O)c1ccc2c(c1)Cc1cc(S(=O)(=O)NCC[NH+](C)C)ccc1-2,0
+CCC[NH+](CCO)C(c1ccc(Br)cc1)C([NH3+])CC,0
+CCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1,1
+C[NH+](CCOc1ccc(S(N)(=O)=O)cc1)C1Cc2ccccc2C1,0
+NC(=O)c1ccc([NH+]=c2oc3cc(O)ccc3cc2C(=O)NCC2CCCO2)cc1,0
+CNC(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)cc1,0
+CC(C)NC(=O)N1CCN(C(=O)C2CSC[NH2+]2)C(C(=O)NC2CCCNC2=O)C1,0
+Cc1n[nH]c(C)c1C(C)NC(=O)C1CN(C(=O)c2cc(C)n(C)n2)CC12CC[NH2+]CC2,0
+Cc1cc(C)cc(NS(=O)(=O)c2ccc(CC[NH3+])s2)c1,0
+CC(C)C1C(=O)NCC[NH+]1CC(O)CN1CC[NH+](C)CC1,0
+Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)NCC(c1cccn1C)[NH+]1CC[NH+](C)CC1,0
+CCC([NH3+])C(c1ccc(Br)s1)n1nc(C)c(Cl)c1C,0
+C[NH+](C)C(CNC(=O)CNC(=O)NCC1CCCC1)C1CCCCC1,0
+C[NH+](CCc1ccccn1)C1C(CNC(=O)Nc2ccsc2)OC(CO)C1O,0
+O=C(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccc(F)cc1,1
+CCOc1ccc(-n2c(SCc3ccccc3Cl)nnc2C2=c3ccccc3=[NH+]C2)cc1,0
+CNC(=O)CN(C)C(c1ccc(Br)s1)C(C)[NH3+],0
+CCc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nc3n[nH]c(C)c3c2=[NH2+])cc1,0
+O=C(CCCNC(=O)C1C=c2ccccc2=[NH+]1)NC1Nc2ccccc2S1,0
+CC1Cc2ccccc2N1C(=S)Cc1nc(N2CCOCC2)cc(=S)[nH]1,1
+CC(C)Cc1ccc(C([NH2+]C(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C(C)C)cc1,0
+NC(=O)C1CCN(C(=O)C(CC2=c3ccccc3=[NH+]C2)NC(=O)OCc2ccccc2)CC1,0
+CC(C)CC(CO)[NH2+]CC(O)COc1c(Cl)cccc1Cl,0
+COCCN1C(=O)C2C(CCC(N)=O)[NH2+]C3(C(=O)Nc4c(C)cccc43)C2C1=O,0
+CC1CN(c2cc(=O)[nH]c(CC(=O)Nc3ccc(F)cc3)n2)CCO1,1
+CC([NH3+])C(c1cc(Br)cs1)N(C)C(C)c1ccc(Cl)cc1,0
+C[NH2+]CCCC(=O)Nc1c(Br)cc(Br)cc1C(=O)[O-],0
+CCOc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nc3[nH]nc(C)c3c2=[NH2+])cc1,0
+C=CCNC(=O)NC(=O)C(C)[NH+]1CCC(C(=O)N2CCOCC2)CC1,0
+CCCCSc1nnc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2N)s1,0
+COc1cc(C2C3[NH+]=c4ccccc4=C3CC3C(=O)N(Cc4cccs4)CC(=O)N32)cc(OC)c1OC,0
+CNC(=O)C(C)[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1,0
+CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)NCC(c3ccccc3Cl)[NH+](C)C)CC2)cc1,0
+CC([NH2+]CCCS(N)(=O)=O)c1ccc(Cl)c(Cl)c1Cl,0
+Cc1cccc(C)c1OCC(O)C[NH+](C)C(C)c1ccc(S(N)(=O)=O)cc1,0
+CC1NN(CC(=O)NCC2[NH+]=c3ccccc3=[NH+]2)C(C)C1I,0
+CCN(c1[nH+]cnc(Nc2nc3ccc(C)cc3s2)c1N)c1cccc2ccccc12,0
+CCc1ccccc1NC(=O)c1cc2ccc(O)cc2oc1=[NH+]c1ccc(S(N)(=O)=O)cc1,0
+c1ccc(C2NCN(CCSc3ccccn3)C2c2[nH]cc[nH+]2)cc1,0
+Nc1ccc(NC(=O)C[NH+]2CCc3ccccc3C2)c(Cl)c1,0
+CC(SC1NN=C(C2=c3ccccc3=[NH+]C2)O1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,0
+CCn1c(=O)oc(=O)c2cc(Br)cc(Br)c21,0
+C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2cc(Cl)ccc2O)c1,0
+CCCC(C)C(=O)N1CC(C(=O)NC(C)CCCC(C)(C)O)C2(CC[NH2+]CC2)C1,0
+Cn1ccc2ccc3c4[nH]c5c(CCCNC6CCC(O)CC6)cccc5c4c4c(c3c21)C(=O)NC4=O,1
+CN(Cc1ccoc1)C(C[NH3+])c1cccc(Cl)c1Cl,0
+Cc1cccc(-c2nc(C3CN(Cc4ccc(-c5nc6nc(C(C)C)nn6cc5-c5ccccc5)cc4)C3)n[nH]2)n1,1
+CC(C)Cc1ccc(C([NH2+]C(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C(C)C)cc1,0
+NS(=O)(=O)c1ccc(NCC(C2=c3ccccc3=[NH+]C2)c2ccccc2Cl)nc1,0
+CC(CNS(=O)(=O)c1cc(Br)ccc1N)C[NH+]1CCCC1,0
+CSc1nc(NCC[NH+]2CCOCC2)c2sc3nc(C(C)C)c4c(c3c2n1)CC(C)(C)OC4,0
+O=C(NCc1ccccc1F)C1Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C3CCCCC3)CC12,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cccc(F)c1,1
+C#CCNC(=O)COc1ccc(Br)cc1C(C)[NH2+]C,0
+CCN(CC)c1ccc2cc(C(=O)Nc3ccc(C)cc3)c(=[NH+]c3ccc(S(N)(=O)=O)cc3)oc2c1,0
+Cc1ccc(C2[NH+]=c3ccccc3=C2SCCNC(=O)c2ccc(Br)o2)cc1,0
+COc1ccccc1-c1nc(NCC[NH+]2CCCC2)nc2nn(-c3ccc(Cl)cc3)c(N)c12,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)C2CC=CCC2)CC12CC[NH2+]CC2,0
+CCCC([NH3+])c1nc(C(=O)NCC2CCC3CC2C3(C)C)cs1,0
+CC1CC(C)C[NH+](C(C)(C)CNC(=O)NNC(=O)Cc2ccccc2F)C1,0
+Cc1ccnc(SC2CCS(=O)(=O)C2)n1,0
+Cc1cc(C[NH+](C)CC(=O)Nc2ccccc2C(F)(F)F)cc(C)c1OCC(F)(F)F,0
+O=C(NCCn1cc[nH+]c1)NNc1ccc(F)cc1Br,0
+O=C(CSC1NN=C(NC2CC2)S1)NCCC1=c2ccccc2=[NH+]C1,0
+CC[NH+](CC)C(C)CNC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1,0
+CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3nccnc3-4)cc2)C1,1
+COc1ccc(O)c(C[NH2+]C(C)c2ccccc2Br)c1,0
+CCc1ccc(N2C(=O)CC([NH2+]CCNc3ccc(C)cc3)C2=O)cc1,0
+[NH3+]CCc1cccc(Br)c1OCc1sccc1Br,0
+N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN2CCCC2)CC1,1
+NC(=O)Nc1ccc(C(=O)OCC(=O)C2=c3ccccc3=[NH+]C2c2ccccc2)cc1,0
+Clc1c[nH]c2ncnc(N3CC4(CCNCC4)c4ccccc43)c12,1
+CC([NH2+]CCc1ccc(S(N)(=O)=O)cc1)C(=O)NCc1ccccc1,0
+OCCC1CN(Cc2cc3ccccc3[nH]2)CC[NH+]1CC1CCCCC1,0
+CC([NH2+]C(c1ccccc1)c1ccccc1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F,0
+CC(c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC(=O)NC(=O)NCc1ccccc1,0
+CN(C)CC1CCC[NH+]1CC(=O)Nc1ccc(N)cc1Br,0
+CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cc(CO)ccc3-4)cc2)C1,1
+C=C(N[NH+]=C1NC(C)(C)Cc2ccccc21)C(C)=N[NH+]=C1NC(C)(C)Cc2ccccc21,0
+CC(C)C(NC1C(=O)[NH+]=c2ccccc2=C1Nc1ccccc1)c1ccc(F)cc1,0
+O=C1CC(C(=O)Nc2ccccc2Cl)[NH+]=C(Nc2nc3ccccc3s2)N1,0
+O=C(NCC(c1ccccc1Cl)[NH+]1CCCCC1)c1nn(C2CCS(=O)(=O)C2)c2c1CCCC2,0
+Nc1cccc(OCCNS(=O)(=O)c2ccc(Br)s2)c1,0
+NC(COc1cncc(-c2ccc3cnc(F)cc3c2)c1)Cc1c[nH]c2ccccc12,1
+Cc1ccc(C(C(=O)NCS(=O)(=O)c2ccc(C)cc2)N(C)C(=O)c2cccc(O)c2O)cc1,0
+NS(=O)(=O)CCC[NH2+]Cc1cc(Br)c(Br)o1,0
+CCOC(=O)C1=NC(=S)NC(c2cscn2)C1=C(C)[O-],0
+CCc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3)nc3n[nH]c(C)c3c2=[NH2+])cc1,0
+Cl.Cn1ncc(Cl)c1-c1csc(C(=O)NC2CNCCC2c2cccc(F)c2)c1,1
+NC1(c2ccc(-n3c(-c4ccnnc4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1,1
+COc1cc([NH+]=c2oc3c(C)ncc(CO)c3cc2C(N)=S)cc(OC)c1,0
+Cc1ccc(C(C)NC(=O)C2CN(C(=O)c3ccc(OC(F)(F)F)cc3)CC23CC[NH2+]CC3)cc1,0
+C=CCOc1c(Cl)cc(CNCC2C[NH2+]CC2CO)cc1OC,0
+CC([NH2+]C(C)c1ccc(Cl)s1)c1cccc(S(N)(=O)=O)c1,0
+Nc1cc2[nH]ncc2cc1-c1cncc(OCC(N)Cc2c[nH]c3ccccc23)c1,1
+CCn1c(SCc2ccc(N)cc2Br)n[nH]c1=O,0
+NC(=[NH2+])SCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1,0
+COc1ccc(C)cc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(C)cc2C)c([O-])n1,0
+COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(O)c(CC([NH3+])CO)c2O)c(C)c1O,0
+CC(C)(C)CNc1ccc(S(N)(=O)=O)cc1N,0
+CC1CC[NH+](C(CNC(=O)NCCC(=O)NC2CCCC2)C(C)C)CC1,0
+CC1SCc2ncnc(N3CCN(C(=O)C(N)Cc4c[nH]c5ccccc45)CC3)c21,1
+CC1(C)CC(NC(=O)CSc2n[nH]c(NN=Cc3cccc(Br)c3)n2)CC(C)(C)[NH2+]1,0
+COc1cccc(C=NNc2nnc(SCC(=O)Nc3c(F)cccc3F)n2N)c1,0
+CCOc1nc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc(N)c1C#N,1
+CC(C)Cn1c(N)c(C(=O)C[NH+]2CCCC(C(=O)NC3CC3)C2)c(=O)[nH]c1=O,0
+COc1ccc(Nc2c3cc(OC)ccc3nc(=[NH+]c3ccc(OC)cc3)n2-c2ccc(OC)cc2)cc1,0
+CCCCC(C)C(=O)N1CC(C(=O)NCCNc2ccccc2)C2(CC[NH2+]CC2)C1,0
+CC([NH2+]CC(C1=c2ccccc2=[NH+]C1)C1CC=CS1)C(=O)NCc1ccccc1,0
+O=C(Nc1cc(Cl)cc(Br)c1OC(F)F)C1CC(O)C[NH2+]1,0
+N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCO)CC1,1
+COc1ccc(C2=NC(c3ccccc3C)[NH2+]C(c3ccccc3O)C2)cc1,0
+CC[NH+]1CCN(CC(O)COc2ccc(C[NH2+]C3CCCC3)cc2OC)CC1,0
+NC1=NC(N2CCC3(CC2)NC(C2CC2)=NC3=O)C2=CN=NC2=[NH+]1,0
+Cn1cccc1C(CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCc2ccccc2C1,0
+Cc1ccccc1C[NH+](C)C(C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1,0
+O=C(C=Cc1nc2ccccc2[nH]1)c1c(O)nc2ccc(Cl)cc2c1-c1ccccc1,1
+CCOC(=O)C1=NN(c2ccc(Cl)cc2)C(c2ccc(OCc3ccccc3)c(OCC)c2)NN1C,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2c(-c3ccccn3)cccc21,1
+CCC(C)NC(=O)C(C)NC(=O)NCC(CC)[NH+]1CCc2ccccc2C1,0
+OC(C[NH2+]CCc1ccc2c(c1)OCCO2)COC(c1ccc(F)cc1)c1ccc(F)cc1,0
+Cc1ccccc1NC(=NC(=O)c1ccc(-n2c(C)ccc2C)cc1)NCCC1=c2ccccc2=[NH+]C1,0
+COC(=O)c1c(NC(=O)C2C3C=CC(C3)C2C(=O)[O-])sc(C)c1C,0
+Cc1nc2nc(-c3ccc(CN4CCC(c5n[nH]c(-c6ccccn6)n5)CC4)cc3)c(-c3cccc(F)c3)cn2n1,1
+CC1CN(C(C)C(=O)N2CCCC2)CC(C)O1,0
+CCOC(=O)C([NH3+])Cc1c(Cl)cc(N2CCCC2)c(OC)c1C,0
+COc1ccccc1NC(=S)N=C(Nc1nc(C)cc(C)n1)NC1CC(C)(C)[NH2+]C(C)(C)C1,0
+NS(=O)(=O)c1ccc(OCC[NH+]2CCCC2C(=O)NCC(F)(F)F)cc1,0
+C=CCN(C)C(=O)C(C)C1CCC2(C)Cc3sc(NCCCC)[nH+]c3C(C)C2C1O,0
+NNC(=O)COc1ccc(C2[NH+]=NC=C2c2ccc(Br)cc2)c(O)c1,0
+C=CC[NH+](Cc1ccc(F)cc1)Cc1cccc(-c2nc([O-])cc(CC[NH3+])n2)c1,0
+O=c1cnc(-c2ccc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2)c(-c2ccccc2)[nH]1,1
+CCNC(=O)C(C)Oc1ccc(C[NH2+]C(C)(C)C)cc1Br,0
+COc1ccc(C2=NC(c3ccc(Cl)cc3)[NH2+]C(c3ccccc3O)C2)cc1OC,0
+COc1cccc(NC(=O)CSc2nnc3cc(C)nc(N)n23)c1,0
+NC1(C(=O)NC(c2ccc(Cl)cc2)C2CC2)CCN(c2ncnc3[nH]ccc23)CC1,1
+CCc1ccc2[nH+]cc(S(=O)(=O)c3ccc(OC)cc3)c(N3CCN(c4ccccc4F)CC3)c2c1,0
+CCC(C1=Nc2ccccc2C(=O)[N+]1=c1cccc(C)[nH]1)N1C(=O)c2ccccc2C1=O,0
+CCC(C)(C)c1ccc(OCCCCNC(=O)c2coc(C(C)[NH3+])n2)c(C(C)(C)CC)c1,0
+Cc1ccc(C)c(OCC(=O)NNC(=O)NCCCC[NH+]2CCCCC2C)c1,0
+C=CCN1C(=O)NC(c2ccc(C)cc2)C2=C1CN(C(C(=O)NCc1ccco1)c1ccccc1)C2=O,0
+CCC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cccnc3-4)cc2)C1,1
+NC(CNc1ncc(-c2ccc3cnccc3c2)s1)Cc1ccc(C(F)(F)F)cc1,1
+Cn1c(CC(=O)N2CCc3c2ccc(F)c3F)nc(N2CCOCC2)cc1=O,1
+O=C(Cc1ccccc1O)NCC(c1c(F)cccc1Cl)[NH+]1CCCC1,0
+Cc1ccc(C(=O)NNC(=O)c2oc3c(c2C)C(=NNC(N)=[NH2+])CC(C)(C)C3)cc1,0
+Oc1ccc(C2CC[NH+](CC(O)COc3ccc(F)cc3)CC2)cc1,0
+CC(C)c1cccc(C(C)C)c1NC(=O)NCC(O)C[NH+]1CCCCC1,0
+NC(=O)c1cccc2c(NC(CN3CCC3)c3cccc(Cl)c3)ncnc12,1
+O=C(NC1Nc2ccccc2S1)C1CC(=O)N(CCC2=c3cc(Cl)ccc3=[NH+]C2)C1,0
+Cc1ccc(-c2nc3c(C)nc(N)nc3n(C3CCC(O)CC3)c2=O)cn1,1
+CC(C(=O)N1CCOCC1)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1,0
+COc1cccc(-c2csc(C(C#N)=CNc3ccc(S(=O)(=O)NC(N)=[NH2+])cc3)n2)c1,0
+CCC(=O)Nc1ccc(C(C)NC(=O)Nc2ccccc2C[NH+](CC)CC)cc1,0
+CC(NC(=O)Nc1cc(N2CCCC2=O)ccc1Cl)c1ccc(S(N)(=O)=O)cc1,0
+CC(C)Oc1c(Br)cc(Br)cc1C[NH2+]CCC[NH2+]CCO,0
+CN(C)c1ccc(C(CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C2=c3ccccc3=[NH+]C2)cc1,0
+CC([NH2+]C1CCCCC1)(C(N)=O)c1ccc(Cl)c(Cl)c1,0
+NC(=O)C(NCc1cccc(NC(=O)C2CCCO2)c1)c1ccc(F)cc1,0
+Cc1noc(CNC(=O)NCC(O)C[NH+]2CCc3ccccc3C2)n1,0
+Cc1ccc(C=C2Oc3c4c(cc(C)c3C2=O)OCN(Cc2ccccn2)C4)o1,0
+CCN(CC)C(=O)CCC1CNC(=O)C2CC(NC(=S)Nc3ccc(Cl)cc3)C[NH+]12,0
+Cc1oc2ccc(O)c(C[NH+](C)Cc3ccccc3)c2c1C(=O)Nc1cccc(Cl)c1C,0
+CCCCN(C(=O)CNC(C)c1ccc(Cl)cc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,0
+CCOc1cccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12,1
+O=C(NCCNc1ccccc1)C1CN(C(=O)C2CC=CCC2)CC12CC[NH2+]CC2,0
+CCc1ccccc1NC(=O)C[NH+]1CCN(CC(=O)NC(=O)Nc2ccc(C)cc2C)CC1,0
+Cc1c(Cl)cccc1NC(=O)CNC(=O)C[NH+](C)CC(=O)Nc1c(Cl)cccc1Cl,0
+CCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2Br)sc2c1C(C)CCC2,0
+Cc1c(Cl)cccc1NC(=[NH2+])Nc1nc(CSc2nnnn2-c2ccccc2)cc(=O)[nH]1,0
+Nc1ncnc(N2CCN(C(=O)C(N)Cc3ccccc3)CC2)c1Cl,1
+CC(C)[NH2+]Cc1c(Cl)cccc1N1CCCCC1C(N)=O,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4ccc(C(F)(F)F)cc4)c3)cc12,1
+CC(C[NH+]1CCCCC1)Nc1ccc(N)cc1Br,0
+O=C(NCC1CCC[NH+]1CC1CCCCC1)NC1CCCc2[nH]c(=O)ccc21,0
+Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[NH+](CC(N)=O)CC1,0
+CCc1cccc(C)c1NC(=O)C[NH+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1,0
+Cc1c[nH]c2ncnc(N3CCC(N)(CNC(=O)c4ccc(Cl)cc4)C3)c12,1
+COCCC(=O)Nc1cc(C(=O)NCCC2=c3ccccc3=[NH+]C2)cc2c1N(C)C(c1ccccc1)N2,0
+CC1(C)CC(NCC(O)COc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC(C)(C)[NH2+]1,0
+CC1Cc2cc(F)c(F)cc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+CC([NH2+]C(C)c1ccsc1)c1ccc(S(N)(=O)=O)cc1,0
+NC(=O)Cn1cc(CN2CC[NH+](C3CCCC3)C(CCO)C2)c2ccccc21,0
+COc1cccc(C(CNC(=O)CCc2[nH+]cc(-c3ccc(Cl)cc3)o2)[NH+](C)C)c1,0
+Cc1cc(-c2cnc(Nc3cc(Cl)cc(Cl)c3)nc2NC2CCC(N(C)C)CC2)on1,1
+C[NH+]1CCCC(CNS(=O)(=O)c2cc(Cl)cc(N)c2Br)C1,0
+Cc1ccc(C2=NN=C(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)C2)c(O)c1,0
+CCCc1noc(-c2cccc(C[NH2+]C(C(N)=O)c3ccc(F)cc3)c2)n1,0
+O=C(C[NH+]1Cc2ccccc2C(c2ccccc2)C1)NCC(=O)Nc1ccc(F)c(F)c1F,0
+NC(=O)c1ccc(CS(=O)(=O)c2cccc(Br)c2)c(N)c1,0
+CC(C)NS(=O)(=O)c1ccc(NC(=O)C(C)[NH+](C)Cc2c(F)cccc2Cl)cc1,0
+CCCCCCNC(=O)C1CCC[NH+](C(C)C(=O)NC(=O)NC2CCCC2)C1,0
+COc1ccc(C)cc1N(C(=O)c1snc(C(N)=O)c1N)C(C(=O)NC1CCCC1)c1ccc(C)o1,0
+CC([NH2+]Cc1ccccc1Br)c1ccc(S(N)(=O)=O)cc1,0
+CCC([NH2+]CCC[NH2+]C1CC1)(C(=O)[O-])c1ccc(Br)cc1,0
+OCC1OC(n2cnc3cc(Cl)c(Cl)cc32)C(O)C1O,0
+CC1OC2CC(=O)OC2C2=C1C(=O)c1ccccc1C2=O,1
+CCc1ccc(C(CNC(=O)C(=O)Nc2cc(C(N)=O)ccc2C)[NH+](C)C)cc1,0
+C[NH+](Cc1csc(Br)c1)Cc1ccc(NN)c([N+](=O)[O-])c1,0
+Oc1ccc2c(c1)C(O)CC1(CC[NH+](CC(O)c3ccccc3)CC1)O2,0
+NC(=O)c1cc(Nc2nc(C3CC3)cs2)c(F)cc1N,0
+CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cc(Br)ccc4Cl)cc3n2)cc1,0
+Cc1ccc(NC(=O)N=C(Nc2nc(C)cc(C)n2)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1,0
+CC(C)[NH+]1CCCC(CNC(=O)CCCNC(=O)NC2CCCCC2)C1,0
+CC(C)n1c(SC(C[NH3+])c2ccc(Br)cc2)n[nH]c1=O,0
+CCOc1ccc(NC(=O)C(=O)NCC(c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)cc1,0
+COC(=O)c1cnn(-c2ccc(C(=O)NCCC[NH+]3CCc4ccccc4C3)cc2)c1N,0
+NS(=O)(=O)c1cccc(NC(=O)CCC2=c3ccccc3=[NH+]C2c2ccc(F)cc2)c1,0
+Cc1c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)oc2c1C(=O)CC(C)(C)C2,0
+NC(COc1cncc(-c2ccc3[nH]nc(N4CCOCC4)c3c2)c1)Cc1c[nH]c2ccccc12,1
+Cc1ccc(N2CC[NH+](CC(=O)Nc3sc(C(N)=O)c(C)c3C(=O)OC(C)C)CC2C)cc1,0
+Cc1ccc(C(C)NC(=O)CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1C,0
+CC(O)C1[NH2+]C2(C(=O)Nc3c(Cl)cccc32)C2C(=O)N(CCc3ccccc3)C(=O)C12,0
+CCCCC(C)C(=O)N1CC(C(=O)NCc2nc3ccccc3c(=O)[nH]2)C2(CC[NH2+]CC2)C1,0
+CCC(C)n1c(SC(C(=O)NC(N)=O)C(C)C)nc2sc3c(c2c1=O)CCCCC3,0
+CCC(C)C(=O)N1CC(C(=O)NCC[NH+](C)C)C2(CC[NH2+]CC2)C1,0
+CC([NH3+])C(c1cccc(Br)c1)N1CCN(CCO)CC1,0
+Cn1c(CC(=O)Nc2cccc3sccc23)nc(N2CCOCC2)cc1=O,1
+NS(=O)(=O)c1ccc(NC(=O)CSC2[NH+]=c3cc(Br)cnc3=[NH+]2)cc1,0
+CCCC(=O)Nc1cccc(NC(=O)NCC[NH+]2CCCCC2C)c1C,0
+Cc1ccccc1N1C(=O)CC(SC(=[NH2+])NN=Cc2ccccc2O)C1=O,0
+Cc1ccc(NC(C)C2CCC[NH+](C)C2)cc1S(N)(=O)=O,0
+CCCCn1c(C[NH2+]C(C)c2ccccc2Cl)nc2cc(S(N)(=O)=O)ccc21,0
+COc1ccc(OC)c(C(=O)N2CC(C(=O)NCC[NH+](C(C)C)C(C)C)C3(CC[NH2+]CC3)C2)c1,0
+O=C(C1COc2ccccc2O1)N1CCC(Oc2cccc(CN3CCN(c4cccc[nH+]4)CC3)c2)CC1,0
+Cc1ccccc1-n1nc(C(C)(C)C)c2c1N(CC(=O)NCC[NH+](C)C)C(=O)CSC2c1ccsc1,0
+Cc1c(C(N)=O)cc(-c2ccc3c(c2)C(C)(C)CCC3(C)C)n1C(C)C(=O)NCC[NH+](C)C,0
+Cc1n[nH]cc1Cn1ccc2c1CC(C)(C)CC2[NH3+],0
+CCCCCc1ccc(C(=O)N2CC[NH+](CCN(CC3=CCC4CC3C4(C)C)C(=O)NC(C)C)CC2)cc1,0
+CC(=O)Nc1cccc(NC(=O)C(C)[NH2+]C(C)c2ccc3c(c2)CCCC3)c1,0
+COc1ccc(C=CC(C)=NN=C2NC(=O)C(CC(=O)Nc3cc(C)ccc3C)S2)cc1,0
+Cc1ccc2[nH]c(=O)c(C(=O)C=Cc3nc4ccccc4[nH]3)c(-c3ccccc3)c2c1,1
+Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3cccc(OS(=O)(=O)C=Cc4ccccc4)c3)[nH+]c2c1,0
+CC(=O)NC(CC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(C)cc1,0
+NC1(c2ccc(-c3nn4c(-c5ccc6cn[nH]c6c5)cnc4cc3-c3ccccc3)cc2)CCC1,1
+C[NH+](C)CCCNS(=O)(=O)c1c(Br)cc(N)cc1Br,0
+CN1CCCc2cc(C(CNS(=O)(=O)c3ccc4c(c3)CCCC4)[NH+]3CCCCC3)ccc21,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4cccc(Cl)c4Cl)c3)cc12,1
+NC1(c2ccc(-c3nc4c5ccc(-c6ccc(O)nc6)cc5nn4cc3-c3ccccc3)cc2)CCC1,1
+Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3C(=O)[O-])nnc2-c2ccncc2)cc1,0
+CC(C)CN1C(SC(C)C(=O)C2=c3ccccc3=[NH+]C2C)=NNC1CCC(N)=O,0
+O=C1NCCCCC1[NH2+]Cc1cccc2c1OCO2,0
+CC([NH2+]CC(O)COCc1cccs1)c1cccc(Br)c1,0
+Cc1ccc(Oc2cc(C)ccc2C(N)=[NH2+])c(Br)c1,0
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,1
+CCN(c1ccccc1)c1nc[nH+]c(Nc2cccc(OC)c2)c1N,0
+CCOc1ccccc1NC(=O)c1cc2c(CO)cnc(C)c2oc1=[NH+]c1cccc(OC)c1,0
+CC(C)[NH+](CCNC(=O)NC1CCCC(C(F)(F)F)C1)C(C)C,0
+CC(C)N(CC1C[NH+](Cc2ccccc2O)CC1c1ccc(F)cc1)C(=O)C1CCCC1,0
+NC(=O)C(COc1c(Br)cc([N+](=O)[O-])cc1Br)[NH2+]C1CC1,0
+COc1ccccc1CN(C(=S)Nc1ccccc1C)C1CC(C)(C)[NH2+]C(C)(C)C1,0
+O=C(C=Cc1nc2cc(F)c(F)cc2[nH]1)c1c(-c2ccc(F)cc2)c2cc(F)ccc2[nH]c1=O,1
+CC(C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+]1CC=C(c2ccc(O)cc2)CC1,0
+Nc1nccc2cc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)ccc12,1
+CC[NH+]1CCN(c2nc(Nc3ccc(SC(F)F)cc3)c3cnn(-c4ccccc4)c3n2)CC1,0
+COc1ccc(Br)cc1C=CC(=O)OCC(=O)NC(=O)Nc1ccc(C)cc1C,0
+NC(COc1cncc(C=Cc2ccncc2)c1)C(c1ccccc1)c1ccccc1,1
+O=C(CNC(=O)NCC(c1ccco1)[NH+]1CCCCC1)Nc1ccc(Cl)cc1,0
+O=C(NCC(c1ccc(Cl)cc1)[NH+]1CCCC1)c1nn(C2CCS(=O)(=O)C2)c2c1CCCC2,0
+CC[NH+]1CCN(C(=O)C(C#N)=NNc2cccc3c(=O)[nH][nH]c(=O)c23)CC1,0
+Cc1ccccc1C(=O)NC(=Cc1ccc2c(c1)OCO2)C(=O)NCCN1CC[NH2+]CC1,0
+Cc1c(Cl)cccc1NC(=O)CNC(=O)C[NH+](C)Cc1ccccc1Br,0
+NC1(c2ccc(-c3nn4c(-c5ccn[nH]5)cnc4cc3-c3ccccc3)cc2)CCC1,1
+Brc1ccc(CSC2NNC(CC3=c4ccccc4=[NH+]C3)O2)cc1,0
+COc1cc(C(C(=O)NC(C)(C)C)N(Cc2ccco2)C(=O)c2cccc(O)c2O)ccc1O,0
+CCC[NH+](CC(=O)NC(=O)NCc1ccccc1)CC(=O)Nc1ccc(F)c(F)c1F,0
+C=CCNc1nc2c(s1)CC1C(C)(CO)C(O)CCC1(C)C2CC(=O)NCC[NH+](C)C,0
+CCC(C)C1[NH2+]C2(CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)N(Cc2ccccc2)C1=O,0
+NC(=O)C1C2=C(CCC2)SC1NC(=O)CCCC1=c2ccccc2=[NH+]C1,0
+O=S(=O)(Cc1ccccc1)NCC[NH2+]CC1CNc2ccnn2C1,0
+CCn1c(-c2nonc2N)nc2cncc(OCC3CCNCC3)c21,1
+CCOc1ccccc1C(=O)N1CC(C(=O)NC(C)CCCC(C)(C)O)C2(CC[NH2+]CC2)C1,0
+CC(C)c1ccc(-c2nc3ccc(Cl)cn3c2C(C)C[NH3+])cc1,0
+CC(c1cccc(S(N)(=O)=O)c1)[NH+](C)CC(=O)Nc1ccccc1C(=O)NCc1ccco1,0
+CCC1CN(c2cc(=O)[nH]c(CC(=O)Nc3ccc(F)cc3)n2)CCO1,1
+CCC[NH+]1CCN(C(c2ccc(Br)cc2)C([NH3+])CC)CC1,0
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1ccc2ccccc2c1,1
+CCCn1c(O)c(C2[NH2+]CCc3c2[nH]c2ccccc32)c(=O)n(CCC)c1=O,0
+CCOc1ccc(C(O)(c2ccc(OC)cc2)C(C[NH+]2CCCCCC2)Oc2ccccc2)cc1,0
+Cc1c(C(=O)N2CSCC2C(=O)N(C)C)oc2c(Cl)cccc12,0
+CC(C)Cc1ccc(C(C)C(=O)NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1,0
+Cc1nc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)nn1-c1ccc(F)cc1,0
+CC(C)[NH+]1CCc2c(sc3c2C(O)=NC(c2ccc(OC(=O)c4ccc(C(C)(C)C)cc4)cc2)N3)C1,0
+NC(=O)NCC1CCC[NH+](CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)C1,0
+NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1csc2ccccc12,1
+O=C(NC(Cc1ccccc1)C(=O)N1CCC[NH+](Cc2cccs2)CC1)OCc1ccccc1,0
+OCCN1CCN(c2ccc3nc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ncccn7)[nH]6)CC5)cc4)nc3n2)CC1,1
+C[NH+](C)Cc1cccc(CNC(=O)NNc2c(F)c(F)c(F)c(F)c2F)c1,0
+C[NH+](CC(=O)Nc1cc(N)ccc1Cl)Cc1csc(Br)c1,0
+CC([NH2+]CC(C1=c2ccccc2=[NH+]C1)c1ccccc1)C(=O)NCc1ccccc1,0
+COc1ccc(CN(C(=S)Nc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1,0
+CCC[NH2+]CC(O)COc1ccc(O)cc1C(=O)CCc1ccc(O)cc1,0
+CCCn1c(N)c(C(=O)C[NH+](Cc2cccs2)CC2CCCO2)c(=O)[nH]c1=O,0
+CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(C(=O)[O-])cs3)CC2)cc1[N+](=O)[O-],0
+C[NH+](C)C(C)(C)CNS(=O)(=O)c1cc(N)ccc1[N+](=O)[O-],0
+COc1cc(OC)cc(C(=O)N2CC(C(=O)NCC[NH+](C(C)C)C(C)C)C3(CC[NH2+]CC3)C2)c1,0
+Cc1cc(Nc2ccccc2)nc(Nc2ccc(NS(=O)(=O)c3ccccc3F)cc2)n1,0
+CC1CC(C)C[NH+](CCNC(=O)NNC(=O)CC2CCCCC2)C1,0
+Cc1ccc2c(c1)=[NH+]C(SCc1noc(CCC(=O)Nc3cccc(Cl)c3C)n1)[NH+]=2,0
+Cc1ccc(S(=O)(=O)N[NH+]=c2oc3ccc(Cl)cc3cc2C(=O)Nc2cccc(Cl)c2)cc1,0
+Cc1c(Cl)cc(S(=O)(=O)NC2C3C[NH2+]CC32)cc1[N+](=O)[O-],0
+NS(=O)(=O)c1ccc(NC(=O)C[NH+]2CCCC2c2nc3ccccc3s2)cc1,0
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1ccccc1,1
+COc1cc2nc(N3CCCC(O)C3)c(C[NH2+]C3CCC(O)CC3)cc2c(OC)c1OC,0
+C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)c2c1,1
+C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)c3cc4cc(Br)ccc4oc3=O)cc2)CC1,0
+CC1SCc2ncnc(N3CCN(C(=O)C(N)Cc4ccc(Cl)cc4)CC3)c21,1
+CC1CC(O)c2ncnc(N3CCN(C(=O)C(CN4CCC(F)CC4)c4ccc(Cl)cc4)CC3)c21,1
+N#CC1=C(N)Oc2cc(OC(=O)COc3cccc(Cl)c3)ccc2C1c1c(Cl)cccc1Cl,0
+O=C(CSc1n[nH]c(NN=C2CCCCC2)n1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1,0
+CCc1c(C(=O)NCC(C)(C)[NH+]2CCc3ccccc3C2)[nH]c(C)c1C(C)=O,0
+CC([NH3+])C(c1ccc(Br)s1)N(C)Cc1ccc(Br)cc1,0
+Cc1cccc(NC(=S)NCCC2=c3cc(F)ccc3=[NH+]C2C)c1,0
+CNS(=O)(=O)c1ccc(C(C)NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1,0
+O=C1N=CC=C2N=C(c3ccc(CN4CCC(c5n[nH]c(-c6ccccn6)n5)CC4)cc3)C(c3ccccc3)=CC12,1
+COc1ccc(Nc2nc(NN=Cc3ccc(C(C)(C)C)cc3)nc(Nc3ccc(OC)cc3)n2)cc1,0
+CC(N)COc1cnc(Cl)c(C=Cc2ccncc2)c1,1
+CCOC(=O)C1=C(N)OC2=c3ccccc3=[NH+]C(=O)C2C1c1ccc(O)cc1,0
+C=CC[NH+](CC=C)C(CNC(=O)Nc1ccc(C(=O)NC)cc1C)C(C)C,0
+CCCNC(=O)CN(C)C(c1ccc(Br)s1)C(C)[NH3+],0
+COc1cccc(C(=O)c2sc(Nc3ccc(C)c(C)c3)c(S(=O)(=O)c3ccc(C)cc3)c2N)c1,0
+CNC(=O)CN1C(=O)NC(C)(c2ccc3cc(OC)ccc3c2)C1=O,0
+CC(C)Cn1c(N)c(NCCn2cc[nH+]c2)c(=O)[nH]c1=O,0
+NC1(C(=O)NC(CS(N)(=O)=O)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,1
+CCCCNC(=O)NC(=O)C[NH+](C)CC(=O)Nc1c(Cl)cccc1Cl,0
+O=C(NCC1CC[NH2+]CC1)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1,0
+CC1(C)CC(N(Cc2ccccc2)C(=S)Nc2ccccc2)CC(C)(C)[NH2+]1,0
+Nc1n[nH]c2nc(-c3ccc(CN4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)c(-c3ccccc3)cc12,1
+O=C1NC(Cc2ccccc2)(c2ccccc2)C(=O)N1C[NH+]1CCCC1c1ccc2c(c1)OCCCO2,0
+CNC(=O)NC(C)(C)C(=O)NCC(C)[NH+]1CCc2ccccc2C1,0
+COC(=O)NC(Nc1sc2c(c1C(N)=O)CCCC2)(C(=O)OC)C(F)(F)F,0
+CN1CCCc2cc(C(CNC(=O)C(c3ccccc3)c3ccccc3)[NH+]3CCCC3)ccc21,0
+CCNc1nc(Nc2ccc(NS(=O)(=O)c3cc(C)ccc3OC)cc2)cc(C)[nH+]1,0
+CCC(C)C(NC(=O)C1Cc2ccccc2C[NH2+]1)C(=O)NCc1ccc(OC)cc1,0
+Oc1ccc(-c2[nH]c(-c3ccccc3)c(-c3ccc(SSc4ccccc4)cc3)[nH+]2)cc1O,0
+CC1OCc2ncnc(N3CCN(C(=O)C(N)Cc4ccc(Cl)cc4)CC3)c21,1
+C[NH+](CC(=O)Nc1ccc(F)c(N)c1)Cc1csc(Br)c1,0
+Cc1cc(C(=O)NC2(c3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CCC2)no1,1
+CC(c1ccccc1F)[NH+](C)Cc1nc(NN)ccc1Cl,0
+OCCNc1[nH+]c2ccccc2n1CC(O)c1ccc(OC(F)(F)F)cc1,0
+Cc1ccc(S(=O)(=O)NCc2cccs2)c(C#CC[NH3+])c1,0
+COc1ccc2c(c1)=CC(C(=O)NNC(=O)COCC(=O)NC13CC4CC(CC(C4)C1)C3)[NH+]=2,0
+Oc1ccccc1-c1ccc(C(CNCl)N2CC[NH2+]C(c3ccccc3O)C2)cc1,0
+O=C(NC(=S)Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1,0
+CCCCn1c(N)c(N(C(=O)C[NH+](CC2CCCCC2)C2CC2)C2CCCC2)c(=O)[nH]c1=O,0
+COc1cccc2cc(C(=O)Nc3ccccc3Cl)c(=[NH+]c3ccc(S(N)(=O)=O)cc3)oc12,0
+CCNc1nc(Nn2c(=S)[nH]c3sc4c(c3c2=O)CCCC4)nc(NCC)[nH+]1,0
+CCCCNC(=O)c1ccc(C[NH2+]Cc2ccccc2OCC(=O)NC)cc1,0
+CCN(CC)c1ccc2cc(C(N)=S)c(=[NH+]c3ccc(Cl)c(Cl)c3)oc2c1,0
+NC(=O)C[NH+]1CCC(NC(=O)N2CCCC2c2ccsc2)CC1,0
+O=C(NC1CCCc2ccccc21)C1C[NH2+]CC1C(=O)NC1CCc2ccccc21,0
+COc1ccccc1NS(=O)(=O)c1cc(C(=O)NNC(=S)Nc2ccccc2C)ccc1C,0
+COc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2n1,1
+CC1CC(C)C[NH+](CCNC(=O)NCc2nnc3n2CCCCC3)C1,0
+Cc1ccc(C[NH+](C)C(C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)o1,0
+Cc1ccc(CC(=O)N2CC(C(=O)NCCNC(=O)OC(C)(C)C)C3(CC[NH2+]CC3)C2)cc1,0
+CC(=O)c1c(C)cc(C)c(CNc2ccccc2[NH+]2CCC(O)CC2)c1C,0
+[NH3+]C1CCCCC1Nc1ccc(S(=O)(=O)C(F)F)cc1,0
+Cc1ccc(S(=O)(=O)N2CCc3cc4c(cc3C2)OCCO4)cc1C,0
+CC(C)([NH3+])C(=O)NC(CSCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1,0
+COc1ccc(C(Nc2cccc[nH+]2)c2cc(C)sc2NC(=O)c2ccccc2)c(OC)c1,0
+Brc1ccc(OCC2=NN3C(=NNC3C3C=c4ccccc4=[NH+]3)S2)cc1,0
+COc1ccccc1C(O)(c1ccc(C)cc1)C(C[NH+]1CCCC1)Oc1ccc(Cl)cc1Cl,0
+CCCc1nnc(NC(=O)C2CCC(CN3CN[NH2+]N3)CC2)s1,0
+CNS(=O)(=O)c1ccc(C(C)[NH+]=Cc2cc(Cl)cc(Cl)c2O)cc1,0
+CCOC(=O)c1c(NC(=O)C=Cc2ccccc2Cl)sc2c1CC[NH+](C(C)C)C2,0
+CC([NH3+])C(c1ccc(Br)cc1)N1CCCCC1CCO,0
+CC(C)Oc1ccc(Br)cc1C[NH2+]CCC[NH2+]CCO,0
+[C-]#[N+]c1ccc(C(=O)N2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1,1
+CN(C)C(=O)c1nn(CC2CCCCC2)c2c1CC([NH2+]CCc1ccc(S(N)(=O)=O)cc1)CC2,0
+CN(CC(N)=O)c1ccc(C=CC(=O)[O-])cc1,0
+O=C(NCc1ccc(N2CCCCC2CCO)[nH+]c1)Nc1ccc(F)cc1,0
+COc1ccc(C(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)[NH+]2CCCCC2)cc1,0
+CC(C(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCN(c2cccc(Cl)c2)CC1,0
+C[NH+]1CCc2c([nH]c3ccccc23)C1CC(=O)CC1c2[nH]c3ccccc3c2CC[NH+]1C,0
+COC(=O)C1=C(C)NC(C)=C(C(=O)OCC[NH3+])C1c1ccccc1C(F)(F)F,0
+CCc1ccc(C2NC(=O)NC(CN3CCC(C(N)=O)([NH+]4CCCCC4)CC3)=C2C(=O)OC)cc1,0
+CC1Cc2c(ccc(F)c2F)N1C(=S)Cc1nc(N2CCOCC2)c(F)c(=S)[nH]1,1
+NC(=O)C1([NH+]2CCCNCC2)CCc2ccccc2C1,0
+CCC(C)NC(=O)c1ccc(NC(=O)C[NH2+]Cc2ccc(OC(C)C)cc2)cc1,0
+O=C(C[NH+]1CCCC1c1ccc2c(c1)OCCO2)Nc1cc2[nH]c(=O)[nH]c2cc1Br,0
+Cc1c(C(N)=O)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1C,1
+CC(Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)CC1,0
+NC1(c2ccc(-c3ncc4cccnc4c3-c3ccccc3)cc2)CCC1,1
+NC(=[NH2+])CCN(Cc1ccc(F)cc1Br)c1ccccc1,0
+CCC(=O)N1N=C(C2C(=O)[NH+]=c3ccc(Cl)cc3=C2c2ccccc2)CC1c1ccc(N(C)C)cc1,0
+COc1ccc(NC(=O)C2C3C(=O)N(c4cc(C)cc(C)c4)C(=O)C3C3c4ccccc4C=C[NH+]23)cc1,0
+CCC(=O)Nc1ccc(C(C)[NH2+]C(C)C(=O)Nc2ccccc2OC)cc1,0
+O=C(c1nn(-c2ccc(F)cc2)c2c1CCCCC2)N1CCN(c2nccs2)CC1,0
+Cc1ccc(-n2c(O)c(C3[NH2+]CCc4c3[nH]c3ccccc43)c(=O)n(-c3ccc(C)cc3)c2=O)cc1,0
+Cc1cc(C)c2[nH+]c(NCCCO)n(Cc3[nH+]c(C)ccc3[O-])c2c1,0
+COc1ccccc1Nc1[nH+]cnc(NN(c2ccccc2)c2ccccc2)c1N,0
+N#Cc1c(N)ncnc1N1CCC(c2nc(-c3cc[nH]c(=O)c3)cn2CCN2CCC2)CC1,1
+C#CCOCC(O)C[NH+](CCOC)Cc1nc2scc(-c3cc(C)ccc3C)c2c(=O)[nH]1,0
+CCCc1[nH]cc(CC(NC(=O)C2CCCC(=O)N2)C(=O)N2CCCC2C(N)=O)[nH+]1,0
+NC(=O)C1Cc2ccccc2C[NH+]1Cc1nc2scc(-c3cccs3)c2c(=O)[nH]1,0
+NC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,1
+COCCCN1C(=O)C2C(CCC(N)=O)NC3(C(=O)Nc4ccc(C)cc43)C2C1=O,0
+CC(=NNc1nc(SCC(=O)Nc2c(Cl)cccc2Cl)n[nH]1)c1ccc(Br)cc1,0
+CC1CCC2C(C)(CO)C(O)CCC2(C)C12CCC(CO)(CCO)O2,0
+Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2CC(O)C[NH2+]C(C)(C)C,0
+CCC[NH+]1Cc2cccc(NC(=O)C(=O)NC(C)C(=O)NC(C)CC)c2C1,0
+CCc1cccc2c1=[NH+]CC=2C(=O)C(SC1N[NH2+]NN1C)c1ccccc1,0
+CC1=C(NC(=O)CN2C(=O)NC(CC3=c4ccccc4=[NH+]C3)C2=O)C(C)N(c2ccc(C)cc2)N1,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4ccc(C(F)(F)F)cc4F)c3)cc12,1
+Cc1cc(C)cc(OCc2nnc(SCC(=O)NC(c3ccc(F)cc3)c3cccs3)n2N)c1,0
+CCC[NH2+]CCNS(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl,0
+C[NH+](C)C(CNC(=O)NNC(=O)Cc1ccc(Cl)cc1)c1ccsc1,0
+CC[NH+](Cc1ccc(Br)s1)CC(C)C(N)=NO,0
+Cc1ccc2c(c1)=[NH+]C(C1=C(N)N(c3ccc(Nc4ccccc4)cc3)CC1=O)[NH+]=2,0
+C[NH+](C)CCN1CCN(C2(C[NH3+])CCS(=O)(=O)C2)CC1,0
+Cc1ccc(N=c2nc(N)nc(C[NH+]3CCc4ccccc4C3)[nH]2)cc1,0
+O=C(CNC(=O)N1CCC2=c3cc(Cl)ccc3=[NH+]C2C1)Nc1ccc(CCO)cc1,0
+Cc1[nH]c(C(=O)NC2CCC[NH+](CC(N)=O)C2)c(C)c1C(=O)OC(C)C,0
+Cc1ccc(-c2nnc(SCCCC(=O)N3CC[NH2+]C(C)C3)n2-c2ccc(Cl)c(Cl)c2)cc1,0
+CC([NH2+]C(C)c1ccc2c(c1)OCO2)C(=O)Nc1cc(Cl)ccc1Cl,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1ccc(F)c(OC(F)(F)F)c1,1
+CCCCNC(=O)NC(=O)C(C)Nc1cccc2c1C[NH+](CCCC)C2,0
+Cn1c(CC(=O)N2CCc3cc(F)c(F)cc32)nc(N2CCOCC2)cc1=O,1
+CC(C)C(C(=O)Nc1ccc(F)cc1)c1nc(N2CCOCC2)cc(=O)[nH]1,1
+[NH3+]C1CCCCC1C(=O)NC1CCOCC1,0
+CCC([NH3+])C(c1ccc(Br)s1)N(CCO)C1CCCC1,0
+NC(CC[NH+](CCO)C1CCCCC1)c1ccc(Br)cc1,0
+Cc1ccc(S(=O)(=O)N2CCC(C[NH3+])C2)s1,0
+N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccoc3)cn2CCN2CCC2)CC1,1
+CCOC(=O)NC(CC1=c2ccccc2=[NH+]C1)C(=O)Nc1ccc(C2Nc3ccc(C)cc3S2)cc1,0
+CCC(c1nnc(SCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)o1)[NH+](C)C,0
+O=S(=O)(c1ccc(F)cc1)N1CCN(c2ccc3c(c2)OCCO3)CC1,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)c2cc(Cl)ccc2F)CC12CC[NH2+]CC2,0
+COC(=O)c1ccccc1N(C)C(=O)c1oc2c(c1C)C(=NNC(N)=[NH2+])CCC2,0
+CC(Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1,0
+COc1ccc(NC(=O)C(CCSC)NS(=O)(=O)c2ccc3c(c2)=[NH+]C(=O)C(=O)[NH+]=3)cc1,0
+NC(CNc1nnc(-c2ccc3[nH]ncc3c2)s1)Cc1ccc(F)cc1,1
+C=CC[NH+]1CCC23c4c5ccc(O)c4OC2C(=NNC(=O)c2ccccc2)CCC3(O)C1C5,0
+CC1Cc2c(ccc(F)c2F)N1C(=O)Cc1nc(N2CCOCC2)cc(=O)n1C,1
+N#Cc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(c5nnc(-c6ccccn6)[nH]5)CC4)cc3)nc2n1,1
+Cc1occc1-c1nc(N)c(OCC(N)Cc2ccccc2)cc1-c1cnc2[nH]nc(C)c2n1,1
+CC[NH2+]C(C)(COc1c(Br)cc([N+](=O)[O-])cc1Br)C(N)=O,0
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(C(=O)NCCC(N)=O)CC4)cc3)nc2n1,1
+Cc1cc(-c2cn(CCNC3CCCC3)c(C3CCN(c4ncnc(N)c4C#N)CC3)n2)ccc1F,1
+CC[NH+](CC)CCCN1C(=O)C(=O)C(=C(O)c2sc(C)nc2C)C1c1ccc(Br)cc1,0
+C[NH+](C)C(CNC(=O)CNc1ccccc1Cl)c1cccs1,0
+C[NH+](C)CCCN(C(=O)c1cc2c(ccc3ccccc32)oc1=O)c1nc2cc3c(cc2s1)OCCO3,0
+C[NH+](C)Cc1ccccc1CNC(=O)NCC1Cc2ccccc2O1,0
+CCCCn1c(C[NH+]2CCCC2c2ccc(OC)cc2)nc2cc(S(N)(=O)=O)ccc21,0
+CC(C)Oc1ccccc1C1NC(=[NH2+])Nc2nc3ccccc3n21,0
+Cc1cc(-n2c(SCC(=O)Nc3ccc(C)c(Cl)c3)nc3n[nH]c(C)c3c2=[NH2+])ccc1Cl,0
+C=CCOc1ccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCC[NH+](CC)CC)cc1,0
+CSc1cccc(NC(=O)C(CC2=c3ccccc3=[NH+]C2)NC(=O)OCc2ccccc2)c1,0
+Nc1c(N(Cc2ccccc2)c2ccccn2)nc[nH+]c1Nc1ccncc1,0
+COc1cccc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)c1OCC(=O)NC(C)(C)C,0
+CC1(C)CCCNC1c1ccc(O)c(C(=O)c2ccc(C(=O)NC3CCCNCC3NC(=O)c3ccncc3)cc2)c1F,1
+Cc1c(Cl)cccc1NC(=[NH2+])Nc1nc(=O)cc(CSc2nc3ccccc3s2)[nH]1,0
+Cc1cc[nH+]c(NC(c2ccc(Cl)cc2)c2ccc3cccnc3c2O)c1,0
+Cl.Cn1nccc1-c1cc(F)c(C(=O)NC2CNCCC2c2ccc(F)c(F)c2)c(F)c1,1
+COc1ccc(C([NH3+])c2cccc(Br)c2)c(OC)c1OC,0
+CC(c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC(=O)NCC1COc2ccccc2O1,0
+CCCC(C(=O)N1CC(C)OC(C)(C)C1)C(N)=NO,0
+CSC(N)=[NH+]NC(=O)CCC(=O)Nc1cc(Cl)c(Cl)cc1Cl,0
+O=C(NC(c1ccc(Cl)c(Cl)c1)C1CNC1)c1ccc2cnccc2c1,1
+COc1ccccc1C(CNC(=O)NNC(N)=O)[NH+]1CCCCC1,0
+COC1(OC)[NH+]=C(N)C2(C#N)C(c3c(F)cccc3Cl)C12C#N,0
+CC(=O)c1ccc(NC(=O)NCC2CC3CC[NH+]2CC3C[NH+]2CCOCC2)cc1,0
+CC1(CO)OC(C)(OCCc2ccccc2)C(C)(O)C(C)(O)C1(C)O,0
+Cc1ccccc1S(=O)(=O)NCC(O)CN1CCCC2(CCN(c3ncnc(N)c3C3CC3)C2)C1,1
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1ccc(F)cc1O,1
+CC(=O)Nc1cc(NC(=O)NCC(C)(C)[NH+]2CCCC(C)C2)c(F)cc1F,0
+CC(Sc1nnc(Cc2cccs2)n1-c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,0
+NC(=O)C1(c2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5ccccc5)nc43)cc2)CCC1,1
+Cc1ccc(-c2csc(NC=C3C(=O)NC(=S)NC3=O)n2)c(C)c1,0
+CC(C)=C1Oc2c(cc3c(c2C)OCN(Cc2ccncc2)C3)C1=O,0
+COCCNC(=O)CCC12CCC(C)(O)CC1C(C)(C)CC2[NH2+]C1CCOCC1,0
+COc1cccc(N(C)Cc2sccc2C#CC[NH3+])c1,0
+CC([NH3+])C(c1cc(Br)cs1)N1CCN(CC[NH+](C)C)CC1,0
+COc1ccc(S(=O)(=O)Nc2cc(-c3ccc4nc(NC(C)=O)sc4c3)ccn2)cc1,1
+Cc1c(NCCN2CCCC2)cc(CCC(C)(C)C)cc1N1CCN(c2ncnc3[nH]nc(Br)c23)CC1,1
+CCC([NH3+])C(c1ccc(Br)cc1)N1CCC(CO)CC1,0
+CC[NH+](Cc1ccccc1)C(c1ccc(Br)s1)C(C)N,0
+N#Cc1cc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)ccc1F,1
+Cc1ccc(C(C(=O)NC(C)(C)CC(C)(C)C)N(Cc2ccco2)C(=O)c2cccc(O)c2O)c(C)c1,0
+CC(C)c1ccc(N2C(=O)CN(C3CCCCCC3)C3CS(=O)(=O)CC32)cc1,0
+O=C(CSc1ncnc2sccc12)N1CC[NH+](C2CCS(=O)(=O)C2)CC1,0
+CCC[NH+]1CCc2c(sc(NC(=O)c3ccc(OCC)c(OCC)c3)c2C(N)=O)C1,0
+Cc1cccc2c1N(S(=O)(=O)c1ccc3c(c1)OCCO3)CCC2O,0
+CC(C(=O)Nc1ccc(N)cc1Cl)[NH+]1CCC(N(C)C)C1,0
+CCCCn1c(N)c(N(CC)C(=O)C[NH+]2CCCC2c2ccc(OC)cc2)c(=O)[nH]c1=O,0
+Nn1c(NN=Cc2c(O)ccc3ccccc23)nnc1SCc1ccc(Cl)c(Cl)c1,0
+NC(=O)NCCCC(=O)NCC(C1=c2ccccc2=[NH+]C1)c1ccccc1Cl,0
+CCn1c(-c2nonc2N)nc2cncc(C(=O)NC3CCNCC3)c21,1
+NS(=O)(=O)c1ccc(CN2CNC(c3ccccc3)C2c2[nH]cc[nH+]2)cc1,0
+COc1ccc(C)cc1C(C)[NH2+]C(C)C(=O)Nc1cccc(NC(C)=O)c1,0
+COC(=O)COc1c(I)cc(C=C(C#N)C2[NH+]=c3cc(C)c(C)cc3=[NH+]2)cc1OC,0
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1cccc(O)c1,1
+CC(C)(C)NC(c1ccc(Cl)cc1)c1ccc(-c2ccncc2)cc1,1
+CC(CC[NH+](C)C)NC(=O)NNC(=O)COc1ccccc1C#N,0
+c1ccc2c(c1)Nc1ncccc1-n1c(-c3ccc(CNCC4CC4)cc3)nnc1-2,1
+CC([NH2+]C(C(=O)[O-])C(C)C)c1cc2cc(Br)ccc2o1,0
+O=C1C(=Cc2ccccn2)CSCC1=Cc1ccccn1,1
+CNC(=O)NC(=O)C[NH+]1CCCCC1C(=O)N1CCOCC1,0
+CCC(C)NC(=O)c1ccc(NC(=O)NCC(C)[NH+]2CCCC(C)C2)cc1,0
+Cc1cccc(C)c1OCC(O)CNC(=O)NCC(c1ccsc1)[NH+](C)C,0
+O=C1CC(C(=O)NCCCc2nnc3n2CCCCC3)CC(=O)N1,0
+CS(=O)(=O)O.O=C(NCc1cccc(O)c1)Nc1nc(-c2ccncc2)cs1,1
+COc1ccc(C[NH2+]CCc2ccccc2C)c(OCC(O)CN2CC[NH+](C)CC2)c1,0
+CC1CCC[NH+](CC(C)NC(=O)NNC(=O)C2CCS(=O)(=O)C2)C1,0
+O=C(C[NH+]1CCCC(O)C1)Nc1ccc(NC(=O)c2cccs2)cc1,0
+CC1Cc2cc(F)ccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)n1C,1
+COc1ccc(C(CNC(=S)Nc2c(C)cc(C)cc2Cl)[NH+]2CCCCC2)cc1,0
+CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C(C)CC)ccc4o3)cc2)cc1Cl,0
+CCOc1ccc(C(C)[NH2+]CC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1,0
+O=C(C[NH2+]C1(CO)CCCCC1)Nc1ccc(Br)cc1,0
+COc1ccc(C)cc1C(C)[NH2+]C(C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O,0
+NCC(NCc1ccc(-c2ccnc3[nH]ccc23)s1)c1ccccc1,1
+Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(C(N)=[NH2+])s1,0
+Cc1cc(-c2cn(CCN(C)C)c(C3CCN(c4ncnc(N)c4OC(C)C)CC3)n2)ccc1F,1
+CCOc1ccc(C(=O)N2CC(C(=O)NCCCC[NH+](C)C)C3(CC[NH2+]CC3)C2)cc1,0
+NC(=O)c1ccc(NC(=O)N2CCC[NH+](Cc3cccs3)CC2)cc1,0
+NS(=O)(=O)c1cccc(C[NH2+]C2CCCc3sccc32)c1,0
+O=S(=O)(NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1)c1ccc2c(c1)OCCO2,1
+CC1(C)C(=O)NCCN1C(=O)C1CCC(=O)N(C2CCCCCC2)C1,0
+O=C1C2ON(c3ccccc3)C(c3ccc(F)c(F)c3)C2C(=O)N1c1ccc(F)cc1,0
+COC(=O)c1c(NC(=S)NNC(=O)c2oc3ccccc3c2C)sc2c1CCCCCC2,0
+O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CC3CC3C2)cn1,1
+C[NH+](C)CCCn1c(SCC(=O)Nc2cc(F)ccc2F)nc2sc3c(c2c1=O)CCCC3,0
+Nc1c[nH+]c2ccc(Br)cc2c1NCC1CCCCO1,0
+O=C(CC1C(=O)NCC[NH+]1CC(c1ccccc1)c1ccccc1)NCC1(O)CCCCC1,0
+CCOc1cc(C[NH2+]CCNCCO)cc(Br)c1OCc1ccc(F)cc1Cl,0
+CC(NC(=O)C[NH+](C)CC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)c1ccc(F)cc1,0
+CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(F)c3)cn2CCN2CCOCC2)CC1,1
+COc1ccc(-c2nc3ccc(-c4cccc(N5CCOCC5)c4)nc3n2-c2ccc(C3(N)CCC3)cc2)cc1,1
+CC(C)(C)OC(=O)NCC1CCCC[NH+]1CCC(=O)NC(N)=O,0
+CNC(=O)CNC(=O)Nc1cccc(Cl)c1OC,0
+CC1CCCN(CN2C(=O)C3CC=CCC3C2=O)C1,0
+O=[N+]([O-])c1cnn(CC(O)C[NH2+]C2CCCCC2O)c1,0
+O=C(CSC1NN=C(C2=c3ccccc3=[NH+]C2)O1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1,0
+NC(=O)c1ccsc1NC(=O)C[NH+]1CCCC1C1CCCCC1,0
+CCN(CC)N(Nc1ccccc1OC)c1nc(-n2nc(C)cc2C)nc2sc3c(c12)CCCC3,0
+CC(c1ccccc1Cl)[NH+](C)CC(=O)NCc1ccc(OCC(N)=O)cc1,0
+CC[NH+](CC(=O)NC(=O)Nc1cccc(C)c1C)CC(=O)Nc1ccccc1C(F)(F)F,0
+CCOc1ccc(Nc2[nH+]cnc(N(CC)c3ccccc3)c2N)cc1,0
+C[NH+](C)CCOc1ccc(Cl)cc1CCNS(=O)(=O)c1ccc(N)cc1,0
+CC(Nc1c(N)c[nH+]c2ccc(Br)cc12)C1CCCO1,0
+O=C1N=CN=C2C1=NC(N1CC[NH2+]CC1)N2C1OC(CO)C(O)C1O,0
+CC(C)CC1(c2ccccc2)NC(=O)N(CN2CC[NH+](CC(=O)NC(C)C)CC2)C1=O,0
+CCOC(=O)C1=C(C[NH+]2CCCN(C(=O)c3ccc(C)cc3)CC2)N(CC)C(=O)NC1c1cccc(C)c1,0
+NC(=[NH+]N=C1C(=O)N(Cc2ccccc2)c2ccccc21)SCC(=O)Nc1ccccc1,0
+NC(=O)CC([NH3+])c1c2ccccc2c(Sc2cccc[n+]2[O-])c2ccccc12,0
+Nc1ncccc1-c1nc2cc(-c3ccccc3)cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,1
+CC([NH3+])c1cccc(S(=O)(=O)NC(C)c2ccc(Cl)s2)c1,0
+NC(=O)COc1ccc(Br)cc1C[NH2+]CCNc1ccc([N+](=O)[O-])cc1Cl,0
+COc1ccc(Cl)cc1NC(=O)CSc1nnc(C2=c3ccccc3=[NH+]C2)n1-c1cccc(C)c1,0
+COC(=O)C1(C#N)C(c2ccc(Br)cc2)C(C(=O)c2ccccc2)[NH+]2C=Cc3ccccc3C21,0
+O=C(C[NH2+]CCCNc1ccc([N+](=O)[O-])cc1)NNC(=O)c1cccc([N+](=O)[O-])c1,0
+COc1ccc2c(c1)=[NH+]C(SCC(=O)Nc1nnc(SCC(=O)NC(C)=O)s1)[NH+]=2,0
+CCOC(=O)c1c(NC(=O)C[NH2+]C2CCCC2)sc2c1CC(C)(C)[NH2+]C2(C)C,0
+C=CC[NH+]1CCC23c4c5ccc(O)c4OC2C(=NNC(=O)c2ccccc2)CCC3(O)C1C5,0
+c1ccc(-c2cc3cnc(N4CCCCC4)nc3nc2-c2ccc(CN3CCC(c4nnc(-c5ccccn5)[nH]4)CC3)cc2)cc1,1
+Cn1cc(CC(N)COc2cncc(-c3ccc4cnccc4c3)c2)c2ccccc21,1
+O=C1[NH+]=c2ccc(Cl)cc2=C(c2ccccc2)C1C1=NN(C(=O)c2ccc(F)cc2)C(c2ccco2)C1,0
+O=C([O-])C1C2C=CC(C2)C1C(=O)NCCCO,0
+CC1(C)CC(NC(=S)NC2CCCCCCC2)CC(C)(CNC(=S)NC2CCCCCCC2)C1,0
+CC(c1cc(F)ccc1F)[NH+](C)CC(=O)NCc1ccc(S(N)(=O)=O)cc1,0
+CCOc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(C(C)C)nc21,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cccc2c1NCCC2,1
+COC(=O)C(NC(=O)C(CCCNC(N)=[NH2+])NS(=O)(=O)c1ccc(C)cc1)C(C)C,0
+O=C(Nc1ccc(Cl)c(Cl)c1)c1cc2ccc(O)cc2oc1=[NH+]Nc1ccccc1,0
+NCCNC(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1,1
+O=C(COC(=O)c1ccccc1Br)Nc1ccc(Cl)cc1C(=O)c1ccccc1,0
+O=C(CSC1Nc2ccccc2O1)NCC(C1=c2ccccc2=[NH+]C1)c1cccs1,0
+CC([NH2+]Cc1ccc(S(N)(=O)=O)cc1)C(=O)NC1CCCc2ccccc21,0
+Cc1ccc2c(c1)C(O)CC1(CC[NH+](CC(O)c3ccc4c(c3)CCC4)CC1)O2,0
+CC(=NNC(=S)NCc1ccccc1)c1ccc(S(N)(=O)=O)cc1,0
+CC(=O)[NH+]=c1ccc2c(CSc3nnc(-c4ccccc4Br)n3N)cc(O)oc-2c1,0
+CCOc1cc(C=NNC(N)=S)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br,0
+COc1cc(N)ccc1NC(=O)C(C)[NH+](C)C1CCSC1,0
+O=C(Cc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1)NCCNc1cccc[nH+]1,0
+COCC(=O)Nc1cccc(CNC(=O)NCCC[NH2+]C2CCCCC2)c1,0
+Cc1ccc(NC(=O)CCC(=O)NNC(=S)NC(=O)COc2cc(C)ccc2C)c(C)c1,0
+COc1ccc(C=C2N=C(c3ccc(OC)cc3)N(CCC3[NH+]=c4ccccc4=[NH+]3)C2=O)cc1,0
+CCOC(=O)c1c(C=Cc2[nH+]ccn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cccc1OC,0
+C=CCNc1nc2c(s1)CC1C(C)(CO)C(O)CCC1(C)C2CC(=O)NCC[NH+]1CCOCC1,0
+O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)Nc1cccc(S(=O)(=O)NC2=[NH+]CCC2)c1,0
+COc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccc([N+](=O)[O-])cc3)cc2)cc1,0
+CCC(N)COc1cncc(-c2cc3c(cnc4cc(OC)c(OC)cc43)c(N)n2)c1,1
+CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C(F)(F)F)CC(=O)N3)CC1)c1ccc(Cl)cc1,1
+Cc1cccc(C)c1OCC(O)CNC(=O)NCC(c1cccs1)[NH+](C)C,0
+CC1Cc2c(Br)cccc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)[nH]1,1
+COc1ccc(NC(=O)NC(=O)C[NH+]2CCCCC2C(C)NC(=O)OC(C)(C)C)cc1,0
+CCCOc1c(Br)cc(C[NH2+]CCN2CC[NH2+]CC2)cc1OCC,0
+Cc1ccc2nc(SC(c3ccc(Br)s3)C(C)[NH3+])[nH]c2c1,0
+NC(=S)c1ccc(C(O)C[NH+](CC(F)(F)F)C2CC2)cc1,0
+COc1ccc(C(=O)C=CNc2ccc(S(=O)(=O)NC(N)=[NH2+])cc2)c(OC)c1,0
+NC(=O)CN(C1CC[NH2+]CC1)S(=O)(=O)CC1CCCCC1,0
+O=C(CCC(=O)NNC(=O)C1C=c2cc(Oc3ccccc3)ccc2=[NH+]1)NCc1ccc(F)cc1,0
+Cc1cc[nH+]c(NC(c2ccccn2)c2cc(Cl)c3cccnc3c2O)c1,0
+CCOC(=O)C=Cc1ccc(NC(=O)C[NH+]2Cc3ccccc3CC2C(N)=O)cc1,0
+NS(=O)(=O)c1ccc(NC(=O)CC[NH+](Cc2c(F)cccc2Cl)C2CC2)cc1,0
+Nc1ncccc1-c1nc2ccc(-c3cccnc3)nc2n1-c1ccc(CC(=O)Nc2ccccc2)cc1,1
+NC(COc1cncc(-c2ccc3[nH]nc(C=O)c3c2)c1)Cc1c[nH]c2ccccc12,1
+Cn1ccc(-c2nnc(SCc3nnc([S-])n3CC3CCCO3)n2CC2CCCO2)n1,0
+Cc1cc(C)c(NC(=O)CNC(=O)C[NH2+]C(C)c2ccccc2Cl)c(C)c1,0
+Cc1nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nn2c1-c1cn[nH]c1,1
+Cc1c(Cl)cccc1NC(=O)CN1C(=O)NC(C)(c2cccc(Br)c2)C1=O,0
+NC(=O)c1c(NC(=O)N2CC[NH+](CCc3ccccc3)CC2)sc2c1CCC2,0
+CN(C)c1ccc(CN(C(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1,0
+Cc1csc(CC(=O)N2CC[NH+](CC(=O)Nc3sc4c(c3C(N)=O)CCCC4)CC2)n1,0
+Cc1nn(-c2ccccc2)c(C)c1C1C(=O)NCC[NH+]1CC(=O)NC(=O)Nc1ccccc1F,0
+Cc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)NNC(=S)Nc4ccccc4C)cc3N2)cc1C,0
+O=c1cc(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)[nH+]c2scc(-c3ccccc3)n12,0
+CC[NH+](CC)C(CNC(=O)C1CCCN(C(N)=O)C1)c1ccco1,0
+O=C1NC2(CCCC2)C(=O)N1Cc1cc2c(cc1Br)OCCO2,0
+Cc1c(Cl)cccc1NN=C(C(N)=O)C(N)=O,0
+Cc1c(Cl)cccc1NC(=O)C(C)[NH+]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1,0
+CC(C)CNC(=O)CNC(=O)NCC1([NH+]2CCCCC2)CCCCC1,0
+O=C(CN1C(=O)c2ccccc2NC1O)NCCC1=c2cc(Cl)ccc2=[NH+]C1,0
+COc1ccc(NC(=O)CSc2nnc(NN=C(C)c3ccc4ccccc4c3)n2N)c(OC)c1,0
+NC(CNc1ncc(-c2ccc3cn[nH]c3c2)s1)Cc1ccc(C(F)(F)F)cc1,1
+CCOC1C[NH+](C(CNO)c2ccc(-c3ccccc3)cc2)CCN1,0
+N#CC1CN(c2cnc(C(=O)Nc3csc(-c4nncn4C4CC4)n3)cc2-n2cnc(C3CC3)c2)C1,1
+CC[NH+](CC(=O)c1c(N)n(CCOC)c(=O)[nH]c1=O)C1CCCC1,0
+O=C(NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1)c1cccc(OCc2ccccc2)c1,0
+C#CCN1C(=O)SC(=Cc2cccn2C)C1=O,0
+Cc1nc2ccccc2n1C1CCN(Cc2ccc(-c3nc4ncnc(N)c4cc3-c3ccccc3)cc2)CC1,1
+CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cc1,0
+NC(=O)C1CCC[NH+]1Cc1ccccc1NC(=O)c1ccccc1Br,0
+CC(C)[NH2+]C(CCSc1nc2ccccc2s1)C(N)=O,0
+CCONCC(c1ccc(Cc2ccccc2)cc1)N1CC[NH2+]C(c2ccccc2O)C1,0
+O=C(CNC(=O)N1CCC2=c3ccccc3=[NH+]C2C1)NCC(O)c1ccccc1,0
+NNc1snnc1Cn1ccnc1-c1cccs1,0
+O=C1CC2OC(c3ccsc3)C3=C(C(=O)c4ccccc4C3=O)C2O1,1
+CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(C)cc1C)C(c1ccc(Br)cc1)=N2,0
+CC(C(=O)NCC[NH+]1CCCC1)C1CCC2(C)CCC(NS(C)(=O)=O)C(C)C2C1O,0
+Cc1ccccc1C(C)Nc1cc(N)cc(S(N)(=O)=O)c1,0
+COc1ccc(C2C3[NH+]=c4ccccc4=C3CC3C(=O)N(C)C(=S)N32)cc1O,0
+Cc1cc(N)ccc1NC(=O)C[NH+](C)Cc1csc(Br)c1,0
+CCc1ccc(C(C)NC(=O)C2CN(C(=O)CCC3CCCC3)CC23CC[NH2+]CC3)cc1,0
+O=C(CNC(=O)N1CCC2=c3ccccc3=[NH+]C2C1)NCC(O)c1ccccc1,0
+COc1ccc(CCN2CC(=O)N3C(Cc4c([nH]c5ccccc45)C3c3ccc(OC)c(OC)c3)C2=O)cc1,0
+O=c1sc(NCC(O)c2ccc(Cl)c(Cl)c2)[nH+]c2ccccc12,0
+CC[NH+]1CC2C(C3C=NN=C3c3ccc(F)cc3)NC(CO)(CCO)C2C1,0
+Nc1cc(S(=O)(=O)NC2(CO)CCCCC2)ccc1O,0
+CC1NN=C(NC(=O)CCC2=c3cc(F)ccc3=[NH+]C2c2ccccc2)S1,0
+C=CC[NH+](CC=C)C(CNC(=O)Nc1ccc(NC(=O)CC)c(C)c1)C(C)C,0
+Cc1c(C(=O)NNC(=O)Cc2ccccc2)oc2c1C(=NNc1ccccc1)CC(C)(C)C2,0
+CC1=CC(C(=O)N2CC(C(=O)NCc3cc4ccccc4[nH]3)C3(CC[NH2+]CC3)C2)C(C(F)(F)F)O1,0
+COC(=O)c1c(NC(=O)C=Cc2ccc3c(c2)OCO3)sc2c1CC(C)(C)[NH2+]C2(C)C,0
+COc1ccc2c(c1)=C(CCNC(=O)C1NN(c3ccccc3)NC1C)C[NH+]=2,0
+Cc1ccc(-c2csc3nc(C[NH+](CC(O)COC(C)(C)C)C(C)C)[nH]c(=O)c23)cc1,0
+NC1(c2ccc(-c3nc4c(Cl)cc(Cl)cn4c3-c3ccccc3)cc2)CCC1,1
+Cc1cc(C)c2c(c1)C1(C(=O)N2)C2C(=O)N(c3cccc(Br)c3)C(=O)C2C2CCC[NH+]21,0
+CC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1,0
+CC1CCCC[NH+]1CCNC(=O)C(=O)Nc1cc2c(cc1Cl)NC(=O)CO2,0
+CC(C)C[NH+]1CCN(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC1,0
+CC(C)(C)OC(=O)N1CCCCC1C(=O)N1CCOC(C(N)=O)C1,0
+CCC(C)[NH2+]CC(=O)NC(C)(C)c1ccc(Br)cc1,0
+CCCC(O)C[NH+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)C1CC1,0
+CCOc1ccc(C2N=[NH+]C(=S)N2N=Cc2cc(Br)cc(Br)c2O)cc1,0
+CC(C)(C)C(=O)Nc1nc2c(s1)CC1C(C)(CO)C(O)CCC1(C)C2CC(=O)NC1CCCCC1,0
+CC(c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC(=O)Nc1ccccc1OCC(F)(F)F,0
+NC(CNc1ncc(-c2ccc3[nH]c(=O)oc3c2)s1)Cc1ccc(C(F)(F)F)cc1,1
+CCc1c(N)ncnc1N1CCC(c2nc(-c3ccnc(OC)c3)cn2CCN2CCC2)CC1,1
+C=CCc1cccc(C=NNc2nc(SCCC(=O)Nc3ccc(C(C)CC)cc3)n[nH]2)c1O,0
+CCOc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OCC(N)=O,0
+OCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,1
+CC(C)NC(=O)COc1ccc(Br)cc1C[NH2+]C(C)(C)C,0
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CNCCc4n[nH]c(-c5ccccc5)n4)cc3)nc2n1,1
+C=CC[NH+]1C(SCc2nc3ccccc3c(=O)[nH]2)NNC1c1ccc(C)c(C)c1,0
+CCC(C)CN1C(=O)C(C)[NH2+]C12CCN(C(=S)Nc1cccc(Cl)c1)CC2,0
+Nc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,1
+CC([NH3+])C(c1cc(Br)cs1)N1CCOC2CCCCC21,0
+CC1SCc2ncnc(N3CCN(C(=O)C(Cc4ccc(Cl)c(F)c4)CC4(N)CC4)CC3)c21,1
+[NH3+]CC(c1ccc(Cl)cc1)N1CCN(CC(F)(F)F)CC1,0
+Cc1ccc2nc(C(C)NC(=O)C3CN(C(=O)C4CCOCC4)CC34CC[NH2+]CC4)[nH]c2c1,0
+CCOC(=O)N1CC[NH+](C(C)C(=O)N2CCCC(C(N)=O)C2)CC1,0
+COc1ccc(CC[NH2+]CC(O)C2=c3ccccc3=[NH+]C2C)cc1OC,0
+NCC(Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,1
+CC(C)(C)NC(=O)COc1ccccc1C[NH2+]CCNc1ccc([N+](=O)[O-])cc1Cl,0
+N#Cc1c(CCCCC[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)n[nH]c1N,0
+O=C(CCNc1ccccc1)Nc1cccc(S(=O)(=O)NC2=[NH+]CCC2)c1,0
+CCC([NH3+])C(c1ccc(C)o1)N(C)Cc1cc(Br)cs1,0
+CCCOc1ccc(CNC(=O)C2[NH+]=c3cc(OC)ccc3=C2Sc2ccccc2)cc1,0
+C[NH+]1CCCC(CNS(=O)(=O)c2c(N)cc(Br)cc2Br)C1,0
+CC(C)CCSC1=Nc2sc3c(c2C([NH3+])N1)C(C)CCC3,0
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CNCCc4n[nH]c(-c5ccccc5)n4)cc3)nc2n1,1
+COc1ccc(C)cc1NC(=O)NC(C)C(=O)[O-],0
+Cc1ccc(C[NH+](Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)CC2CCCO2)cc1,0
+Cc1ccc(S(=O)(=O)CNC(=O)C(c2c(O)cc(O)cc2O)N(C(=O)c2ccccc2)C(C)(C)C)cc1,0
+CC(NC(=O)CCCCC1SCC2NC(=O)NC21)c1ccc(F)cc1F,0
+Nc1ncnc(N2CCC(c3nc(-c4ccnc(C(F)(F)F)c4)cn3CCN3CCC3)CC2)c1Br,1
+COC(=O)c1cccc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1,1
+Cc1ccc(S(=O)(=O)N[NH+]=c2oc3c(O)cc(C(C)(C)C)cc3cc2C(=O)Nc2cccc(C)c2)cc1,0
+CCN1NC(C)=C(C=NNC(=O)C2(C)CCC(C3[NH+]=c4ccccc4=[NH+]3)C2(C)C)C1C,0
+CS(=O)(=O)c1cccc(-c2ccc3c(c2)nn2cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nc32)c1,1
+CCN(c1ccc(C)cc1)C(C[NH3+])c1cc(Br)c(Br)o1,0
+O=C(CSC1NNC(c2ccncc2)N1c1ccccc1)NN=CC1=c2ccccc2=[NH+]C1,0
+CC(C)CC(C)N(C)C(=O)c1ccc(C#CC[NH3+])cc1F,0
+CNC(=O)Nc1ccc(CNc2c(C(=O)Nc3ccc4c(c3)OC(F)(F)C(F)(F)O4)cnn2C)cn1,1
+CCCc1nc(-c2cc3cccc(C)c3[nH+]c2NCCc2ccc(S(N)(=O)=O)cc2)no1,0
+CC1CC[NH+](c2ccc(Nc3nc(CSC(C)C)cc(=O)[nH]3)cc2)CC1,0
+CCOC(=O)c1ccc(Oc2c(C(F)(F)F)oc3c(C[NH+]4CC(C)CC(C)C4)c(O)ccc3c2=O)cc1,0
+CC(C)NC(=O)CN1CC[NH+](Cc2ccccc2OCC(O)C[NH+]2CCSCC2)CC1,0
+Cc1ccccc1-n1c(NN)nc2sc3c(c2c1=O)CC[NH+](C)C3,0
+COc1c(Oc2nc(Oc3cccc(C(N)=[NH2+])c3)c(F)c(C)c2F)cccc1C(=O)N(C)C,0
+Cc1cc(-c2ccn[nH]2)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+CCCCNC(=O)C(c1ccc(O)c(OC)c1)N(C(=O)c1cccc(O)c1O)c1cccc(Cl)c1,0
+Cc1ccc(S(=O)(=O)N[NH+]=c2oc3c(Cl)cc(Cl)cc3cc2C(=O)Nc2ccccc2)cc1,0
+Cc1cc(-c2cn(CCNCC(C)C)c(C3CCN(c4ncnc(N)c4C#N)CC3)n2)ccc1F,1
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1ccc(F)cc1OCC1CCNCC1,1
+CNC(=O)NC(=O)CCN1C(=O)NC(C)(c2ccc(C(C)C)cc2)C1=O,0
+O=C1CSc2ccc(NC(=O)Nc3ccc(N4CCCC4)[nH+]c3)cc2N1,0
+CCN(C(=O)c1ccc(NCC(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1)c1ccccc1,0
+NC(Cc1ccccc1)C(=O)Nc1cncc(C=Cc2ccncc2)c1,1
+NS(=O)(=O)c1cccc(NC(=O)CCC2=c3cc(F)ccc3=[NH+]C2c2ccc(F)cc2)c1,0
+CCOC(=O)C([NH3+])Cc1cc(I)c(O)c(OC)c1,0
+CS(=O)(=O)Nc1c(CCc2ccccc2)ccn(CC(=O)NC2CCCN(C(N)=[NH2+])C2O)c1=O,0
+CCCCNC(=O)C1Sc2nnc(-c3ccccc3)n2NC1c1ccc(OCC)cc1,0
+C#Cc1cccc(NC(=O)NCC2CCC[NH+](Cc3cccs3)C2)c1,0
+CONCC(c1ccc(-c2ccccc2)cc1)N1CC[NH2+]C(c2ccccc2O)C1,0
+CC(C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[NH+](CC(=O)Nc2ccccc2Cl)CC1,0
+CC(=O)Nc1ccc(C2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1,0
+CC1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)c(Cl)c(=O)[nH]1,1
+CC(C)Oc1ccc(C(C)[NH2+]C(C)C(=O)Nc2c(F)cccc2F)cc1,0
+NC(=O)c1ccc(N2CCC(c3cccc(C(F)(F)F)c3)C(N)C2)c2cncnc12,1
+COc1ccc(C=NN2C(=O)C3Cc4c([nH]c5ccccc45)CN3C2c2ccc(Br)cc2)cc1,0
+O=C(CNc1cc2c3c(c1)C1CCCC1C[NH+]3CC1CCCC21)c1ccc(Br)cc1,0
+Cc1c(C(N)=O)sc(NC(=O)CN2CC[NH+]3CCCC3C2)c1C(=O)OC(C)C,0
+Cc1ccc(C(=O)NC(=Cc2cccs2)C(=O)NCCC2=c3ccccc3=[NH+]C2)cc1C,0
+CC[NH+](CCOc1ccc(Br)cc1)Cc1cccc(N)c1,0
+CCCCSC1(SCCCC)[NH+]=C(N)C2(C#N)C(c3ccccc3)[NH2+]C3=C(CCC3)C12C#N,0
+O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CC(N3CCOCC3)C2)cn1,1
+CCCCCn1c(=O)[nH]c2cc(C3NC(c4ccc(Br)cc4)NO3)ccc2c1=O,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)c2ccc(-c3ccccc3F)o2)CC12CC[NH2+]CC2,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4c(F)cccc4F)c3)cc12,1
+O=C(Cc1nc(N2CCOCC2)c(F)c(=O)[nH]1)N1c2ccccc2CC1CO,1
+NC(=[NH2+])c1cc2c(nc1Oc1cccc(Cl)c1Cl)CCC2,0
+CC1CC(=O)Nc2ncnc(N3CCC(c4nc(C(F)(F)F)cn4CCN4CCCC4)CC3)c21,1
+NC(COc1cncc(-c2ccc(F)cc2)c1)Cc1c[nH]c2ccccc12,1
+C1=[NH+]CNN1CCN1CCN(Cc2[nH]cc[nH+]2)CC1,0
+CN(C)c1ccc(C=C2C(=O)c3sccc3S(=O)(=O)N2C)cc1,0
+CCOc1cccc2cc(C(N)=S)c(=[NH+]c3cccc(Cl)c3)oc12,0
+COc1cc(C=[NH+]CCc2ccc(S(N)(=O)=O)cc2)ccc1O,0
+CCn1c(-c2nonc2N)nc2c(-c3ccc[nH]3)ncc(OCCCN)c21,1
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cccc(Br)c1,1
+CCCCC(C)C(=O)N1CC(C(=O)NC(C)c2ccc(CC)cc2)C2(CC[NH2+]CC2)C1,0
+Cc1ccc(NC(=O)NC(C)Cc2ccco2)cc1NC(=O)C[NH+]1CCCCC1,0
+O=P(O)(O)Oc1ccc(OP(=O)(O)O)c(OP(=O)(O)O)c1OP(=O)(O)O,1
+CCN(c1cccc(C)c1)c1nc[nH+]c(Nc2cc(C(F)(F)F)ccc2Cl)c1N,0
+CC(C(=O)NC(=O)NC1CC1)N1CC[NH+](C(C)C(=O)NC2CC2)CC1,0
+NC1(c2ccc(-c3nc4c(CO)cccn4c3-c3ccccc3)cc2)CCC1,1
+O=c1c2ccccc2nc2sc(COc3ccc(Br)cc3Cl)nn12,0
+CC1(CCCOc2ccccc2C(=O)NCBr)[NH+]=C(N)N=C(N)N1c1ccccc1,0
+Cc1cc(OCC(N)=O)ccc1NC(=O)NCC(c1cccs1)[NH+](C)C,0
+CCC([NH3+])C(c1ccc(Cl)s1)N1CCCC1CCCO,0
+CCOc1cc(C[NH2+]CCC[NH2+]C)cc(Cl)c1OCc1ccc(Cl)cc1,0
+O=C(N1CCN(c2ncnc3[nH]nc(Br)c23)CC1)C1(c2ccc(Cl)c(Cl)c2)CCNCC1,1
+CNC(=S)N1N=C(C2C(=O)[NH+]=c3ccc(Cl)cc3=C2c2ccccc2)CC1c1ccccc1OC,0
+Cc1cc(C)cc(N2C(=S)NC3C(O)C(O)CC(C(=O)NCC[NH+](C)C)C32)c1,0
+Cc1onc(-c2ccccc2Cl)c1C(=O)N(CC[NH+](C)C)c1nc2c(S(C)(=O)=O)cccc2s1,0
+OC(c1nc2cc(Br)ccc2[nH]1)C(O)c1nc2cc(Br)ccc2[nH]1,0
+CCOC(=O)c1c(N=Cc2ccc(O)cc2O)sc2c1CC(C)(C)[NH2+]C2(C)C,0
+COc1ccc2c(c1)=C1CCNC(c3ccc(OC)c(COc4ccc(F)cc4)c3)C1[NH+]=2,0
+CC1(C)CC(NC(=S)Nc2ccc(F)cc2)CC(C)(C)[NH2+]1,0
+CCCS(=O)(=O)N1CCC(NC(=O)C([NH3+])C(C)(C)C)CC1,0
+CC1(C(=O)NC2(CO)CCCC2)CC[NH2+]C1,0
+CCOc1cccc([NH+]=c2oc3c(OCC)cc(Br)cc3cc2C(N)=S)c1,0
+O=S(=O)(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1cccc(F)c1,1
+NC(=O)NC(=O)c1c(NC(=O)c2ccc(Br)s2)sc2c1CCC2,0
+CC(C)Cc1ccc(C(CNc2ccccc2O)N2CC[NH2+]C(O)C2)cc1,0
+CCCCC(C)C(=O)N1CC(C(=O)NCc2cccc(OC)c2OC)C2(CC[NH2+]CC2)C1,0
+NC(=O)C1CCCC[NH+]1CC(=O)NC(c1ccc(F)cc1)c1cccs1,0
+CC([NH3+])C(c1ccccc1Br)N1CCN(CCO)CC1,0
+COc1ccc(C)cc1NC(=O)C([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)c1ccccc1,0
+CCC(CC)(CNC(=O)NCC(=O)Nc1ccc(Cl)cc1)[NH+](C)C,0
+CNC(=O)CN1CCC([NH2+]C(C)c2ccc(Br)cc2)CC1,0
+CC(Oc1ccccc1F)C(=O)NNC(=O)NCC(c1ccsc1)[NH+](C)C,0
+CCOC(=O)C1=C(C[NH2+]CCc2ccccc2)NC(=O)NC1c1ccc(C)cc1,0
+Cc1ccc(C(Oc2ccc(S(C)(=O)=O)cc2)C(C)[NH3+])s1,0
+COc1cc2c(cc1OC)C(c1ccccc1)[NH+](CC(=O)Nc1sccc1C(N)=O)CC2,0
+CC(C(=O)NC(=O)NC1CCCCC1)[NH+](C)CC(=O)Nc1ccc(F)c(F)c1F,0
+Fc1ccc(C2=NN=CC2C[NH+](CC2CC[NH+](C3CCCC3)CC2)CC2CCCO2)cc1,0
+CC(C(=O)Nc1ccc(C(N)=O)cc1)[NH+](C)CCCOc1ccc(Cl)cc1,0
+CC[NH+](CC)C(C)CNC(=O)C(=O)Nc1ccc(F)c(NC(=O)OC)c1,0
+CCOc1ccccc1NC(=O)C(C)[NH2+]C(C)c1ccc(NC(=O)CC)cc1,0
+C=CCOc1c(Br)cc(C2NC(=[NH2+])Nc3nc4ccccc4n32)cc1OC,0
+CCC([NH2+]CC(O)COC(C)c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2,0
+COC(=O)C1[NH+]=c2ccccc2=C1NC(=O)CN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,0
+Cc1nn(-c2ccc(F)cc2)c2[nH]cc(C(=O)NCC[NH+](C)C)c(=O)c12,0
+CC(C(=O)Nc1sccc1C(N)=O)N1CCC[NH+](CC(=O)N(C)C)CC1,0
+Cc1ccc(OCCC2[NH2+]C(C(=O)[O-])CS2)c(C(C)(C)C)c1,0
+C[NH+](C)C(CNC(=O)Nc1ccccc1OCCC(N)=O)Cc1ccccc1,0
+CC1=CC2(Nc3ccc(C)c(C)c3O2)C(C(N)=O)=C(N)O1,0
+[NH2+]=C(Nc1ccc2c(c1)OCCO2)Nc1nc(CSc2nc3ccccc3s2)cc(=O)[nH]1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cccc2c1OCCN2,1
+O=c1[nH]cnc2c1ncn2C1OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C(O)C1O,0
+CCn1c(-c2nonc2N)nc2cncc(CNC3CCNCC3)c21,1
+CCC[NH2+]C(C)(CCCSc1ccc(Br)cc1)C(N)=O,0
+CCC([NH3+])C(c1cccc(Br)c1)[NH+](C)CC1CCCCO1,0
+COc1ccc(NS(=O)(=O)c2ccc(NNC(=O)CCC3=c4ccccc4=[NH+]C3)c([N+](=O)[O-])c2)cc1,0
+CCC([NH3+])C(c1ccc(Br)s1)[NH+](C)CC(O)COC,0
+CCCN1C(=O)C(C(=O)NC2C(=O)[NH+]=c3ccccc3=C2O)C(O)c2ccccc21,0
+[O-][n+]1c2ccccc2[n+]([O-])c2cc(Br)ccc21,0
+CCN1C(=O)C(N2CCCC(C(=O)NCCC3=c4cc(Cl)ccc4=[NH+]C3)C2)Nc2cccnc21,0
+CN(CC1CCC1)C(C[NH3+])c1cc(Br)c2c(c1)OCCO2,0
+CCOc1ccc(C(O)(c2cccc(C)c2)C(C[NH+]2CCCC2)Oc2ccc(Cl)cc2Cl)cc1,0
+CCOc1cccc2cc(-c3csc(NC(=O)CCSc4ccc(Cl)cc4)n3)oc12,0
+O=C(NCC(O)c1ccc(F)cc1)C(=O)Nc1ccccc1C[NH+]1CCCC1,0
+CCCCCCC(=O)N1CC(C(=O)NCCNc2ccccc2)C2(CC[NH2+]CC2)C1,0
+Cc1sc2ncn(N=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)c2c1C,0
+COc1ccc(OCc2nnc(SCC(=O)Nn3cnc4sc(C)c(C)c4c3=O)n2C)cc1,0
+NC(=O)C1C2=C(CCC2)SC1NC(=O)CCCC1=c2ccccc2=[NH+]C1,0
+CNC(=O)C1CN(C(=O)CSC(N)=[NH+]CC2CCCO2)c2ccccc2O1,0
+Cc1cc(OCC(N)=O)ccc1NC(=O)NCc1cccc(C[NH+](C)C)c1,0
+Nn1c(NN=C(Cc2ccccc2)Cc2ccccc2)nnc1SCC(=O)Nc1c(F)cccc1F,0
+CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCC(c3ccccc3Cl)[NH+](C)C)CC2)cc1,0
+CCCCCC(=O)N(c1cccc(Cl)c1)C(C(=O)NC(C)(C)C)c1c(O)cc(O)cc1O,0
+CC1c2c(O)cc(O)cc2OC(=O)C1CC(=O)NCCc1c[nH+]c[nH]1,0
+NC1(c2ccc(-n3c(-c4ncccn4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1,1
+CNC(=O)NC(=O)C(C)Nc1cc(C#N)ccc1C,0
+CC(C)CN(CC1C[NH+](Cc2ccccc2O)CC1c1ccc(F)cc1)C(=O)c1ccccc1,0
+CN(C)C(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,1
+C[NH+](CC(=O)NCC1(N2CCOCC2)CCCCC1)CC(=O)Nc1ccccc1C(F)(F)F,0
+O=C(CC1C(=O)NCC[NH+]1CCCc1ccccc1)NCC1C2CC3CC(C2)CC1C3,0
+CNC(=S)N(CC[NH+](C)C)Cc1cc2c(C)ccc(C)c2[nH]c1=O,0
+O=C(COC(=O)CCCC1=c2ccccc2=[NH+]C1)Nc1cc(C(F)(F)F)ccc1Cl,0
+COc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)C(=O)N=C2[O-])cc1,0
+NC(CNc1ncc(-c2ccc3nnccc3c2)s1)Cc1ccc(C(F)(F)F)cc1,1
+CCC[NH+](CCOc1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1ccccc1C,0
+N#Cc1cccc(NNC(=O)NCc2ccc(N3CCc4ccccc4C3)[nH+]c2)c1,0
+CC[NH+](C)Cc1cccc(CNC(=O)c2ccc(S(N)(=O)=O)o2)c1,0
+O=C(CNc1nc(Cl)nc2[nH]cnc12)NCCc1c[nH+]c[nH]1,0
+CSc1ccc(C(Nc2cccc[nH+]2)c2cc(C)sc2NC(=O)c2ccco2)cc1,0
+NC(=O)c1ccsc1NC(=O)C(=O)NCC1([NH+]2CCCCC2)CCCCC1,0
+NC(=O)CN1CCCC([NH2+]Cc2ccc(OCc3ccccc3F)cc2)C1,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)CCCc4ccccc4)c3)cc12,1
+CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(F)c3)cn2CCN2CCC3(COC3)C2)CC1,1
+CSc1ccccc1NC(=O)C[NH+](C)C(C)C(=O)Nc1cc(F)ccc1F,0
+Cc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCCC(C)C4)cc3)sc2c1,0
+CC(c1nc(N)nc(N(C)C)n1)[NH+]1CCC(C(O)c2ccc(Cl)cc2)CC1,0
+CC(C)CN(C(=O)C1CSC2(C)CCC(=O)N12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,0
+CCOC(=O)C([NH3+])Cc1cc(I)cc(OC)c1O,0
+Cn1nc(N)c2ccc(-c3cnc(NCC(N)Cc4ccc(C(F)(F)F)cc4)s3)cc21,1
+C[NH+]1CCCC(CNS(=O)(=O)c2cc(Cl)ccc2N)C1,0
+Cc1ccc(C)c(C(C)NC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)c1,0
+CCC([NH3+])C(Sc1nc(C)cs1)c1ccc(Br)s1,0
+CCCC1(C(=O)Nc2cc(Cl)cc(Br)c2OC)CC[NH2+]C1,0
+COc1ccc(NC(=O)C2=C(C)NC(=S)NC2c2ccc(O)cc2)cc1,0
+CC(C)(C)c1ccc(OCc2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)n2N)cc1,0
+Cc1cc(O)c(CN2CCN(c3cccc[nH+]3)CC2)c2c1C(=O)C(=Cc1c(F)cccc1Cl)O2,0
+O=C(NCC[NH+]1CCc2sccc2C1)NCC1(O)CCCc2ccccc21,0
+COCCNc1ccc(CNC(=O)NCCC[NH+]2CC(C)CC(C)C2)cc1,0
+CC1(C)CC(C)(C)c2cc(OCC(=O)NC(CCCC[NH3+])C(N)=O)ccc21,0
+O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N1CCCCC1,0
+Cc1ccc(NC(=O)C[NH+](C)C(C)c2ccc(S(N)(=O)=O)cc2)cc1F,0
+CCCCCN1C(=O)C(C(=O)NC2C(=O)[NH+]=c3ccccc3=C2O)C(O)c2ccccc21,0
+C=CCNC(=O)NC(=O)C(C)N1CCN(C(=O)c2cc(C)oc2C)CC1,0
+COC(=O)C1CC2CCCCC2[NH+]1CC(=O)Nc1ccccc1C(N)=O,0
+Cc1cc(NC(=O)NCC(C)(C)[NH+]2CCCC(C)C2)ccc1C(=O)NC(C)C,0
+Nn1c(NN=Cc2cccc(Cl)c2Cl)nnc1SCC(=O)Nc1cccc(Cl)c1Cl,0
+C[NH+](C)CCCN(CC1CC[NH+](C2Cc3ccccc3C2)CC1)C(=O)c1cccs1,0
+Cc1n[nH]c2cnc(-c3cncc(OCC(N)Cc4ccc(C(F)(F)F)cc4)c3)cc12,1
+COc1ccc(C(CNC(=S)NCc2cccs2)[NH+]2CCCC2)cc1,0
+COCC(C)Nc1ncnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1[N+](=O)[O-],0
+Cc1cc(C(n2nnc3ccccc32)C(O)(c2ccccc2)c2ccccc2)c[nH+]c1N,0
+COc1cc(NC(=O)C(C)c2nc(N3CCOCC3)cc(=O)[nH]2)ccc1F,1
+Cc1ccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)c1,0
+[NH2+]=C(NN=Cc1c(O)ccc2ccccc12)SC1CC(=O)N(c2ccc(Br)cc2)C1=O,0
+Cn1cc(C=C2N=C(c3ccc(Br)s3)OC2=O)cn1,0
+Cc1nn2c(=O)c(=Cc3c(Cl)cccc3Cl)sc2nc1=O,0
+CC(NCC(=O)Nc1ccc(S(=O)(=O)N=C2CCCCCN2)cc1)c1ccccc1Cl,0
+CCC(N)C(c1ccc(Cl)s1)[NH+]1CCN(CCO)CC1,0
+CCCCn1c(N)c(N(CC)C(=O)C[NH+](Cc2ccc(CC)cc2)C2CC2)c(=O)[nH]c1=O,0
+Cc1occc1C(=O)Nc1ccc(C(=O)NC(C)C2[NH+]=c3ccccc3=[NH+]2)cc1,0
+CC(C)[NH+]1CCc2c(sc3c2C(O)=NC(c2ccc(OC(=O)c4cccc5ccccc45)cc2)N3)C1,0
+CCOC(=O)C1=C(N)OC2=c3ccccc3=[NH+]C(=O)C2C12C(=O)Nc1ccccc12,0
+NC1(c2ccc(-c3nn4ccnc4cc3-c3ccccc3)cc2)CCC1,1
+CC(C)[NH+]1CCC(CNS(=O)(=O)c2cc(Cl)ccc2N)C1,0
+CC(=O)Oc1ccc2c(-c3cc4cc(Br)ccc4oc3=O)cc(=O)oc2c1,0
+CCCC(=O)Nc1cccc(NC(=O)NC(C)C[NH+]2CC(C)CC(C)C2)c1C,0
+CCC[NH2+]C(COc1c(Br)cc([N+](=O)[O-])cc1Br)C(N)=O,0
+Cc1nc(NC2CCCCC2)cc(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)[nH+]1,0
+CC(NC(=O)OC(C)(C)C)C(=O)NCC1CCC(C2[NH+]=c3ccccc3=[NH+]2)CC1,0
+COC(=O)c1ccc(C([NH2+]Cc2ccccc2)C(C[NH2+]Cc2ccccc2)C(=O)[O-])cc1,0
+CNC(=O)C(C)NC(=O)NC(C)c1ccc(Br)cc1,0
+Nc1ncnc(N2CCN(C(=O)C(N)Cc3ccc(Cl)cc3)CC2)c1Cl,1
+CC1=C2C(=O)CCCC2=NC1C(=O)Nc1cc2c(cc1Cl)OCO2,0
+CC(O)C[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1,0
+CCC[NH+]1CCc2c(sc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1,0
+CCCCNc1[nH+]c2c(s1)CC1(C)CCC(C(C)C(=O)N(CC)CC)C(O)C1C2C,0
+CC(C)c1ccc2c(c1)=CC(CNc1ccc(N3CCCC(O)C3)cc1)C(=O)[NH+]=2,0
+C=CC[NH+](Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)CC(O)COCc1ccccc1,0
+CC1CN(c2ccc(CNC(=O)NNC(=S)NC3CCCC3)c[nH+]2)CCO1,0
+Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2-c2ccncc2)CC1,1
+COc1ccc2c(c1)=C(CCNC(=O)C1CCN(c3[nH]c4ccccc4[nH+]3)CC1)C[NH+]=2,0
+O=C(C[NH2+]Cc1ccco1)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2,0
+COc1ccc2c(c1)-c1nc(-c3ccc(C4(N)CC(O)(C5CC5)C4)cc3)c(-c3ccccc3)n1CO2,1
+Nc1ccc(C(=O)NCc2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-],0
+Cc1ccc(Sc2nc(N)cc(=O)[nH]2)cc1N,0
+CCc1nnc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)s1,1
+COc1ccc(OC)c(-n2c(O)c(C3c4c(cc5c(c4OC)OCO5)CC[NH+]3C)c(=O)[nH]c2=S)c1,0
+COc1ccc(C=C2Oc3c(C[NH+]4CC5CC(C4)c4cccc(=O)n4C5)c(O)cc(C)c3C2=O)cc1OC,0
+CSCCC(NS(=O)(=O)C=Cc1ccccc1)C(=O)NCC(c1ccccc1)[NH+]1CCCC1,0
+O=C(Nc1ccc2c(c1)OCO2)C(C1CCCC1)[NH+]1CCN(C(=O)c2cccc(Br)c2)CC1,0
+C[NH+](C)C(C)(C)CNC(=O)NNC(=O)c1cc2c(s1)CCCCCC2,0
+CC1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)c(Cl)c(=O)[nH]1,1
+CNC(=O)NC(=O)C(C)SC1NN=C(C2=c3ccccc3=[NH+]C2)N1c1ccc(Cl)cc1,0
+Cc1ccc(C)c(NC(=O)C(c2ccccc2)N2CC[NH+](CC(=O)Nc3cccc(C)c3C)CC2)c1,0
+CCCCn1c(N)c(N(CC)C(=O)C[NH+](Cc2ccc(C(C)C)cc2)C2CC2)c(=O)[nH]c1=O,0
+CC(C)N1CC[NH+](CC(=O)Nc2ccc(N)cc2Br)CC1,0
+CCC[NH+](CCC)CCNS(=O)(=O)c1cc(Br)cnc1N,0
+O=C(COc1ccccc1C1NNC(c2ccccc2)O1)NCCC1=c2ccccc2=[NH+]C1,0
+CC(NC(=O)Nc1cccc(Cl)c1)C(c1cccs1)[NH+]1CCCC1,0
+Cc1cccc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1O,1
+CCCCC(C)C(=O)N1CC(C(=O)NCCc2ccc(Br)cc2)C2(CC[NH2+]CC2)C1,0
+CC(OC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)=[NH+]C(=O)[NH+]=3)cc1)C(=O)NC1CCCCC1,0
+CC[NH+](CC)CCN(C(=O)c1cc(Cl)sc1Cl)c1nc2c(C)cc(Cl)cc2s1,0
+CSc1ccc(C(C)[NH2+]C(C)c2ccc(O)cc2O)cc1,0
+[NH3+]C1CC(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1,0
+CN(Cc1ccc(Cl)s1)c1ccc(C(N)=[NH2+])c(Cl)c1,0
+NC(COc1cncc(-c2cccc(Nc3ncccn3)c2)c1)Cc1c[nH]c2ccccc12,1
+COc1cc(CN2CC[NH+](C3CCCCC3)C(CCO)C2)cc(Cl)c1O,0
+NC1(c2ccc(-c3nc4cc(-c5ccncc5)ccn4c3-c3ccccc3)cc2)CCC1,1
+Cn1nc(C(=O)NCCc2ccccc2)c2c1CCC([NH2+]CC1(O)CCCCC1)C2,0
+CCC(N)C(c1ccc(Br)s1)[NH+](Cc1ccsc1)C1CC1,0
+Cc1ccc(C2CSCC(C(=O)NCC3CCC4CC3C4(C)C)[NH2+]2)cc1,0
+CC(CCCCSc1ccc(Br)cc1)([NH2+]C1CC1)C(N)=O,0
+NS(=O)(=O)c1ccc(CC[NH2+]Cc2cc(Br)ccc2OCc2ccccc2F)cc1,0
+Nc1ncnc(N2CCC(c3nc(-c4ccnc(C(F)(F)F)c4)cn3CCNC3CC3)CC2)c1Cl,1
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)c2cccc(Cl)c2F)CC12CC[NH2+]CC2,0
+O=S(=O)(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccccc1,1
+CCOc1cc(CCNC(=O)C2CN(C(=O)CCSC)CC23CC[NH2+]CC3)ccc1OC,0
+CC(C)C12CN3CC(C(C)C)(C[NH+](C1)C3c1ccc(O)c(O)c1)C2O,0
+Cc1cc(C)nc(NC(=NC(=O)Nc2ccccc2)NCCC2=c3ccccc3=[NH+]C2)n1,0
+CC(C)c1ccc(NC(=O)C2C3C=CC4(O3)C2C(=O)N(CCC[NH+](C)C)C4C(=O)NC2CCCCC2)cc1,0
+COc1cc(C2[NH2+]C(c3ccc(O)c(OC)c3)C(C)C(=O)C2C)ccc1O,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2c(-c3ccccc3Cl)cccc21,1
+CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc2[nH]1,1
+N#Cc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+[N-]=[N+]=[NH+]C(CCl)c1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O,0
+O=C1C(=Nc2cccc(Br)c2)c2ccccc2N1C[NH+]1CCN(c2ccccc2)CC1,0
+NC1(c2ccc(-c3nc4nc(O)ccn4c3-c3ccccc3)cc2)CC(O)C1,1
+O=C(CC1=c2ccccc2=[NH+]C1)NC1NNC(Cc2ccccc2)S1,0
+CC12CCCCC1CCC1C2CCC2(C)C1CCC21CN(C(=O)CSC2=[NH+]CCN2)C(C)(C)O1,0
+OCC[NH+](CCO)CC(O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21,0
+CCC(=O)N1CC(C(=O)NCC(C)(C)C[NH+](C)C)C2(CC[NH2+]CC2)C1,0
+C[NH+](C)CCCNC(=O)C1CN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC12CC[NH2+]CC2,0
+CCCCCCNC(=O)C1CN(C(=O)c2c(F)ccc(C)c2F)CC12CC[NH2+]CC2,0
+CC[NH+]1CCc2c(sc(NC(=O)C=Cc3cccs3)c2C(N)=O)C1,0
+CN(Cc1csc(Br)c1)C(C[NH3+])c1ccc(Br)cc1,0
+CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)cc3)cn2CCN2CCC23COC3)CC1,1
+CC(C)CCNC(=O)C1CN(C(=O)CCC2CCCC2)CC12CC[NH2+]CC2,0
+CCOc1ccc(OCC(=O)Nc2sc3c(c2C(=O)OC)CC(C)(C)[NH2+]C3(C)C)cc1,0
+CCC[NH2+]C(C[NH3+])c1cc(Br)c2c(c1)OCCCO2,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1c2ccccc2CC1CF,1
+COc1cc(OC)cc(C([NH3+])c2cc(Br)ccc2OC)c1,0
+Cc1cc(S(N)(=O)=O)cc(NC(=O)C[NH+](C2CC2)C(C)c2cccc(C(F)(F)F)c2)c1C,0
+CC(C)Nc1c(-c2ccc3[nH]ncc3c2)nc2ncccn12,1
+Cc1ccc(S(=O)(=O)N2CCC[NH+](CC(=O)NC(c3ccccc3)c3cccs3)CC2)cc1,0
+Cc1ccc2nc(NC(=[NH2+])NC(=S)Nc3ccc(C)c(Cl)c3)nc(C)c2c1,0
+CCCCCc1ccc(C2CSCC(C(=O)NCC3CCC4CC3C4(C)C)[NH2+]2)cc1,0
+COc1cccc(NC(=O)CSc2nc3n[nH]c(C)c3c(=[NH2+])n2-c2cccc(C)c2)c1,0
+Cc1cccc(N)c1C(=O)N(C)C1CC[NH+](C)CC1,0
+CCc1c(C)[nH+]c2c(OC)ccc(Br)c2c1NN,0
+CCN(CC)C(=O)c1c[nH+]c2snc(C)c2c1N1CCC(C(=O)Nc2ccc(OC)c(Cl)c2)CC1,0
+Cc1n[nH]c2cnc(-c3cncc(OCC(N)Cc4cccc(C(F)(F)F)c4)c3)cc12,1
+COc1ccc(NC(=O)C[NH2+]CCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1,0
+COc1ccccc1Nc1nc(N)nc(C[NH+]2CC3CC4CC(C3)CC2C4)n1,0
+CCC(N)C(c1cc(Br)cs1)[NH+](C)CC1CCCCO1,0
+CCOc1ccc2c(c1)=[NH+]C(SCC(=O)NC1Nc3cc(OC)ccc3S1)[NH+]=2,0
+CCCNC(=O)C[NH+]1CCC2(CC1)NC(=O)N(CCO)C2=O,0
+CCCCCCCCCCCCCCCCc1ccc(S(=O)(=O)Nc2nncs2)cc1,1
+O=C(NN=C(C1[NH+]=c2cc(Cl)ccc2=[NH+]C1=O)C(O)C(O)CO)c1ccccc1Cl,0
+Clc1c[nH]c2ncnc(N3CCc4nc[nH]c4C3)c12,1
+CC(C)CCCC1(C)CCc2ccc(O)c(O)c2O1,1
+Cc1ccccc1COc1ccc(Br)cc1C[NH2+]CCCSc1nnnn1-c1ccccc1,0
+CC(c1cccs1)[NH+](C)Cc1ccc(C(=O)NC2c3ccccc3-c3ccccc32)c(=O)[nH]1,0
+O=C(NCCCn1cc[nH+]c1)C1CN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC12CC[NH2+]CC2,0
+COc1ccc(C2C3[NH+]=c4ccccc4=C3CC3C(=O)N(CCc4ccc(OC)c(OC)c4)CC(=O)N32)cc1,0
+NC(=O)c1cccc2c1Nc1nnc(Cl)cc1C(=O)N2,1
+CNC(=O)Nc1ccc(CNc2c(C(=O)Nc3ccc4c(c3)OC(F)(F)C(F)(F)O4)cnn2C)cn1,1
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cccc(F)c1F,1
+O=C(NCCC1=c2ccccc2=[NH+]C1)C(=O)NCCC1CCCCN1S(=O)(=O)c1cccs1,0
+N#Cc1cnc(-c2ccc(CNCc3ccc(-c4csnn4)cc3)cc2)c(-c2ccccc2)c1,1
+COc1ccc(C(C[NH3+])N2CCCC2C[NH+](C)C)cc1Br,0
+CC(C)[NH+]1CCCC(CNC(=O)CNC(=O)NCc2ccco2)C1,0
+COc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])o2)cc1,0
+O=C(NCCCc1ccccc1)C(=O)NCC(c1ccco1)[NH+]1CCN(c2ccccc2)CC1,0
+CCCCCc1ccc(C2CS(=O)CC(C(=O)NC3CCCc4ccccc43)[NH2+]2)cc1,0
+O=S(=O)(NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1)c1ccccc1,1
+COCCN(C)Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,1
+CCCc1noc(-c2cccc(C[NH2+]C(C(N)=O)c3ccc(F)cc3)c2)n1,0
+CCOc1ccc(C2C3(C#N)C(N)=[NH+]C(OC)(OC)C23C#N)cc1,0
+C[NH+](C)C(CNC(=O)Nc1ccc(NC(=O)C2CCCO2)cc1)c1cccs1,0
+CC(C)c1cc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4C#N)CC3)n2)ccn1,1
+C[NH2+]C1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(N)c(=O)cc21,0
+O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4cc5cn[nH]c5cc4nc3-c3ccccc3)cc2)CC1,1
+Cc1ccc(C2=[NH+]C(c3c[nH]c4ccc(S(=O)(=O)NC(C)C)cc4c3=O)ON2)cc1,0
+CC(C)(C)OC(=O)NCCNC(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1,0
+O=C(NC1=c2ccccc2=[NH+]C1)C1NN=C2C=CC=CC21,0
+CC(C)([NH3+])c1cn(CC2CCCN(C(=O)NC34CC5CC(CC(C5)C3)C4)C2)nn1,0
+O=C(C=Cc1ccc(F)cc1)NC(=S)NNC(=O)COc1ccc(Cl)cc1Br,0
+CC(C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[NH+]1CCCC1c1ccc2c(c1)OCCO2,0
+CC([NH2+]CC(=O)NCCSc1ccc(Cl)cc1)c1cccc(S(N)(=O)=O)c1,0
+CC(Cn1cccn1)[NH2+]CC(O)c1cccc(Br)c1,0
+NC(=O)C1CCCN(C(=O)CSC2NN=C(C3=c4ccccc4=[NH+]C3)N2C2CC2)C1,0
+Cc1cccc(C2c3cc(OCc4ccc(C(=O)NCC[NH+]5CCCC5)o4)ccc3CCN2C(=O)C2CC2)c1,0
+CCNc1nc(-c2ccoc2)c(-c2cnc3[nH]nc(C)c3n2)cc1OCC(N)Cc1ccccc1,1
+Nc1cc2cc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)ccc2cn1,1
+NC(Cc1cc(F)cc(F)c1)C(=O)N1CCN(c2ncnc3ccccc23)CC1,1
+Cn1c(=O)n(C)c2cc(C(O)COc3ccc(C[NH2+]C45CC6CC(CC(O)(C6)C4)C5)cc3)ccc21,0
+COc1cc(C(N)=O)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12,1
+CCOC(=O)c1c(NC(=O)C[NH+]2CCN(C(=O)c3ccco3)CC2)sc(C(N)=O)c1C,0
+Cl.Cn1ncc(Cl)c1-c1ccc(C(=O)NC2CNCCC2c2cccc(F)c2)s1,1
+CCC(CC)C(=O)N1CC(C(=O)NC(C)C(C)C)C2(CC[NH2+]CC2)C1,0
+Cc1cc(OCC(N)=O)ccc1NC(=O)NCCCC[NH+]1CCCCC1C,0
+CC(C)(C)OC(=O)N1CCC(CNC(N)=[NH+]Cc2ccco2)CC1,0
+NC1(c2ccc(-c3nc4ccc(C(=O)NC5CC5)cn4c3-c3ccccc3)cc2)CCC1,1
+CCOc1ccc(N2C(=O)C(=C3C(=O)N(C(C)=O)c4ccccc43)SC2=S)cc1,0
+CNc1c(-c2ccccc2)c(-c2ccc(CN3CC(c4n[nH]c(-c5ccccn5)n4)C3)cc2)nc2nc(C)cn12,1
+O=C(Nc1ccccc1Br)c1cc2n(n1)C(C(F)(F)F)CC(c1ccco1)N2,0
+CC1=C(C(c2ccccc2Cl)c2c(C)nn(-c3ccc(C)cc3)c2O)C(O)N(c2ccc(C)cc2)N1,0
+COCC[NH+]=C(N)NCc1ccccc1C[NH+]1CC(C)CC(C)C1,0
+CCC(C)NC(=O)c1ccc(CSc2nnc(-c3cccs3)n2-c2ccc(C)cc2)cc1,0
+O=C(Nc1ccc(C2C=c3ccccc3=[NH+]2)cc1)Nc1cccc(Br)c1,0
+CCCCNC(=O)CSc1nc2n[nH]c(C)c2c(=[NH2+])n1-c1cccc(Cl)c1C,0
+COC1C[NH+](C(CNc2ccccc2O)c2ccc(-c3ccccc3)cc2)CCN1,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)c2csc3ccccc23)CC12CC[NH2+]CC2,0
+CC([NH+](C)CC(=O)Nc1c(N)cc(Cl)cc1Cl)C(C)(C)C,0
+CCC[NH2+]C1CCC(NS(=O)(=O)c2sccc2Br)CC1,0
+NC(=O)c1cc2c(nc1NCC1CCCN(c3cccc[nH+]3)C1)CCC2,0
+[NH3+]C1CCC(CC(=O)N2CCCCC2CO)CC1,0
+CNC(=S)N1N=C(C2C(=O)[NH+]=c3ccc(Cl)cc3=C2c2ccccc2)CC1c1ccccc1F,0
+COc1c(C)cc(C[NH2+]CC(=O)Nc2c(C)cc(C)cc2C)cc1C,0
+CCOc1cc(C=NN2CC(=O)N3C(CC4=c5ccccc5=[NH+]C4C3c3ccccc3)C2=O)ccc1O,0
+COc1ccc(-n2c(SCc3cc(=O)n4c(C)csc4n3)nnc2C(C)[NH+]2CCCCC2)cc1,0
+OCCOCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1F,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)CCCc2ccccc2)CC12CC[NH2+]CC2,0
+CN(C)c1ccc(CNC(=O)NCC2(O)CCCc3ccccc32)c[nH+]1,0
+COc1cc(OC)cc(C(=O)N2CC(C(=O)NC(C)c3ccc(Br)cc3)C3(CC[NH2+]CC3)C2)c1,0
+Cc1ccc(-n2c(SCC(=O)Nc3sccc3C(N)=O)nnc2-c2ccc(Cl)cc2)cc1,0
+CCCS(=O)(=O)NC1CC[NH+](CC(O)c2ccc(C)c(C)c2)CC1,0
+Cc1cc(C)c(C(N)=S)c(NC(C)c2ccc(Br)cc2)[nH+]1,0
+Cc1ccc(C(=O)N2CC(C(=O)NC(C)CCCC(C)(C)O)C3(CC[NH2+]CC3)C2)cc1F,0
+COC(=O)C(NC(=O)C([NH3+])CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C,0
+CC[NH+](CC)CCCNS(=O)(=O)c1cc(Br)ccc1N,0
+Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=NNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)o1,0
+CC(C(=O)NC1CC[NH+]2CCCC12)C(N)=NO,0
+Cc1cc(C)c2c(N)c(C(=O)OCC(=O)Nc3ccc(C)c(S(N)(=O)=O)c3)sc2[nH+]1,0
+CNC(=O)C1CCCN1C(=O)C1CC2CCCCC2[NH2+]1,0
+Cc1ccc(CN(C(=S)Nc2ccc(Cl)cc2C(F)(F)F)C2CC(C)(C)[NH2+]C(C)(C)C2)o1,0
+CCC[NH+]1Cc2cccc(NC(C)C(=O)NC(=O)NCc3ccccc3)c2C1,0
+COc1cc(OC)c(NC(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)[nH+]3)cc2)cc1Cl,0
+CC(CNC(=O)NCCCc1nc2ccccc2[nH]1)[NH+]1CCc2ccccc2C1,0
+CC(Sc1nnc(C(C)[NH+](C)C)n1-c1ccc(Cl)cc1)C(=O)Nc1ccc(C(N)=O)cc1,0
+Cc1ccc(NC(=[NH2+])Nc2nc(CSc3nnc(C)s3)cc(=O)[nH]2)cc1,0
+CN1CCN(c2ccc3nc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccc(N)nc7)[nH]6)CC5)cc4)nc3n2)CC1,1
+[NH3+]Cc1nnc(NC(=O)COc2ccc([N+](=O)[O-])cc2)s1,0
+CCc1ccc(Nc2[nH+]cnc(N(CC)c3ccccc3)c2N)cc1,0
+COc1ccc(C2NN(c3ccccc3C)CC2CN(C)Cc2[nH]c(C)c[nH+]2)cc1F,0
+CC(C)(C)C1CCc2nc(=[NH2+])c3c(O)oc4ccc(Br)cc4c-3c2C1,0
+CCC(CC)N(CCO)C(c1ccccc1Br)C(C)[NH3+],0
+C[NH+](CC(N)=O)Cc1cc2c(cc1N)OCCO2,0
+CC1CCCC(CNC(=O)NNC(=O)COc2ccc(C#N)cc2)([NH+](C)C)C1,0
+O=C1C(=Cc2cccc(Br)c2)Oc2c1ccc(O)c2CN1CCN(c2cccc[nH+]2)CC1,0
+Nc1ncnc(N2CCC(c3nc(-c4ccc(F)cc4)cn3CCN3CCCC3)CC2)c1Br,1
+OCC1OC(C[NH2+]C2CCCCC2)C(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1O,0
+Cl.NCc1ccc(-n2c(-c3cccnc3N)nc3cc(-c4cccnc4)cnc32)cc1,1
+CCCCNC(=O)C1CCC(C)[NH+](CC(=O)NC(=O)NC2CC2)C1,0
+CC(NC(=O)C=Cc1ccc(Cl)c(Cl)c1)c1nnn[n-]1,0
+Cc1ccc(C)c(NC([S-])=[NH+]C(C)C(c2ccccc2)N2CC[NH+](C)CC2)c1,0
+Nc1ncnc2nc(-c3ccc(CN4CCC(c5cc(-c6ccncc6)[nH]n5)CC4)cc3)c(-c3ccccc3)cc12,1
+CCc1c(C)sc2c1CC[NH+](CC(=O)Nc1sc(C)cc1C(=O)OC)C2c1ccccc1,0
+COc1cc2ncc3c(N)nc(-c4cncc(OCC(C)N)c4)cc3c2cc1OC,1
+COc1ccc2c(Sc3ccc(Cl)cc3)c(C(=O)NCC[NH+]3CCCCCC3)[nH]c2c1,0
+O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4cc5cn[nH]c5cc4nc3-c3ccccc3)cc2)CC1,1
+CC(C)(C)CC(C)(C)NC(=O)C(c1ccco1)N(C(=O)C#Cc1ccccc1)c1ccccc1,0
+CCCC(C)C(=O)N1CC(C(=O)NCCC(C)C)C2(CC[NH2+]CC2)C1,0
+Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=S)NCCCN3CC[NH+](C)CC3)cc12,0
+CC(C(=O)Nc1sc2c(c1C(N)=O)CCC2)[NH+](C)CCCOc1ccc(F)cc1,0
+CC(C)CC(NC(=O)C1CCC(=O)N1)[NH2+]C(CC(C)C)C(=O)N1CCCC1C(N)=O,0
+NC(=O)C1Cc2ccccc2C[NH+]1CC(=O)Nc1cc(Cl)ccc1F,0
+C[NH+](C)CCNC(=O)C1C(c2ccc(NC(=O)c3cccs3)cc2)OC(=O)N1Cc1ccccc1,0
+NC(NCc1ccc(-c2ccc3c(c2)CCCO3)cc1)=[NH+]C1CC1,0
+CC(Nc1n[nH]c(=O)[nH]c1=O)C(=O)NN=CC1=c2ccccc2=[NH+]C1,0
+c1ccc(-c2nnc(C3CCN(Cc4ccc(-c5nnc6n5-c5cccnc5Nc5ccccc5-6)cc4)CC3)o2)cc1,1
+CCOc1ncccc1NC(=O)NCc1cn2ccc(C)cc2[nH+]1,0
+CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C,1
+Cc1ccoc1C(=O)Nc1ccc(S(N)(=O)=O)cc1Br,0
+COc1ccc(C(OCC2OC(n3ccc(N)nc3=O)CC2O)(c2ccccc2)c2ccc(OC)cc2)cc1,0
+Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)Nc3nc[nH]n3)cc12,1
+Cc1cccc(C)c1NC(=O)C[NH+](CC(=O)Nc1c(C)cccc1C)C(C)C(=O)Nc1ccccc1C#N,0
+Cc1c(NCCN(C)C)cc(Cl)cc1N1CCN(c2ncnc3[nH]nc(Br)c23)CC1,1
+CC12CN3CC(c4ccccc4)(C[NH+](C1)C3c1cccc(N)c1)C2O,0
+Clc1cccc(Cl)c1COc1ccccc1C[NH2+]CCSc1nnnn1-c1ccccc1,0
+NC(=O)C(NC(=O)NCC1CCC[NH+]1CC1CCCCC1)c1ccccc1,0
+CCOC(=O)C1=C(CSC(N)=[NH+]CC(C)C)NC(=O)NC1c1ccco1,0
+[NH3+]C(c1cc(F)cc(Br)c1)c1ccc2c(c1)NC(=O)CO2,0
+Cc1cccc2c1N(C)C(=O)C21CC(=O)Nc2c1cnn2-c1ccccc1,0
+OCCC1CCCC[NH+]1CCC(O)c1cccc(Br)c1,0
+C[NH+]1CCCCC1CNS(=O)(=O)c1cc(Cl)cc(N)c1Br,0
+CC([NH3+])(COc1c(Br)cc([N+](=O)[O-])cc1Br)C(N)=O,0
+CC(C)[NH+](CC1CC1)C(C)C(=O)Nc1ccc(N)cc1Cl,0
+CCC(NC(=O)NC12CC3CC(CC(C3)C1)C2)c1c(-n2cccc2)sc2c1CC[NH+](CC)C2,0
+CCCC[NH+]1CCCCC1CNC(=O)NCc1ccc(S(N)(=O)=O)s1,0
+C#CCOc1c(I)cc(C=C(C#N)c2nn(CCO)c(N)c2C#N)cc1OC,0
+CNC(=O)c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+Cc1ccc2cc(C#N)c(NCCNC(=S)NCCC[NH+](C)C)nc2c1C,0
+CCN(c1ccccc1)c1nc[nH+]c(Nc2cc(C)ccc2C)c1N,0
+CC(=O)[NH+]=c1ccc2c(CSc3nnc(C4CCCCC4)n3N)cc(O)oc-2c1,0
+CC1CCCC(C)N1C(=O)Cn1cnc2sc3c(c2c1=O)CCC3,0
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CNCCc4nccs4)cc3)nc2n1,1
+Nn1c(NN=Cc2cccc(Br)c2)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-],0
+CS(=O)(=O)NCC[NH2+]CC(=O)Nc1ccc(Br)cc1,0
+Cc1c2c(cc3c1OC(=Cc1cc(Cl)cc4c1OCOC4)C3=O)CN(C(C)C)CO2,0
+Cc1cc(C)c(NC(=O)c2sc3[nH+]c(C)cc(C)c3c2N)c(C)c1,0
+CCn1nc(C)c(Br)c1C(=O)N1CC(C(=O)NC(C)c2c(C)n[nH]c2C)C2(CC[NH2+]CC2)C1,0
+Cc1c(Cl)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1-c1ccc(F)cc1,1
+CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)C[NH+]2CC3(C)CC2CC(C)(C)C3)ccc1Cl,0
+O=c1ccc(-c2cc(C3CCN(Cc4ccc(-c5nc6ncccc6cc5-c5ccccc5)cc4)CC3)n[nH]2)c[nH]1,1
+CC(NC(=O)Cc1c(Cl)cccc1Cl)c1cccc(S(N)(=O)=O)c1,0
+Cc1nn(C)c(C)c1NS(=O)(=O)c1cc(N)c(C)c(Cl)c1,0
+COc1ccc(C(Oc2ccccc2I)C(C)[NH3+])cc1,0
+CC(C)Cc1ccc(C(CNI)N2CC[NH2+]C(c3ccccc3O)C2)cc1,0
+CCN1CCN(C(=O)CSc2nnc(C)c(=O)n2N)CC1,0
+CC1Cc2ccccc2N1C(=O)Cc1nc(N2CCOC(CF)C2)cc(=O)[nH]1,1
+Cc1cc[nH]c(=NS(=O)(=O)c2c[nH+][nH]c2N)c1,0
+CC1c2cc3c(cc2C2(CCCC2)C[NH+]1CC(=O)Nc1ccc(S(N)(=O)=O)cc1)OCCO3,0
+NC1(c2ccc(-c3nc4c5ccc(-c6cn[nH]c6)cc5nn4cc3-c3ccccc3)cc2)CCC1,1
+CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(CF)CC3)CC1)c1ccc(Cl)cc1,1
+CCC(C)CC(=O)N1CC(C(=O)NC2C[NH+]3CCC2CC3)C2(CC[NH2+]CC2)C1,0
+COc1ccc(OC(C)CNC(=O)C2CN(C(=O)CCC3CCCC3)CC23CC[NH2+]CC3)cc1,0
+C[NH+]1CCCCC1CNS(=O)(=O)c1cc(Br)cnc1N,0
+COC1CCN(c2cnc(C(=O)Nc3csc(-c4nncn4C4CC4)n3)cc2-n2cnc(C3CC3)c2)C1,1
+CCC(C)C(=O)N1CC(C(=O)NCCN2CCC[NH+](C)CC2)C2(CC[NH2+]CC2)C1,0
+COc1ccc(O)c(C(=O)c2ccc(C=CC3CCCNCC3NC(=O)c3ccncc3)cc2)c1F,1
+O=C(NCCNc1ccccc1)C1CN(C(=O)c2ccc(C(F)(F)F)cc2)CC12CC[NH2+]CC2,0
+CC(O)CNc1[nH+]c2ccccc2n1CC(=O)NC(C)c1ccc2ccccc2c1,0
+CCCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(C3[NH+]=c4ccccc4=[NH+]3)CC2)cc1,0
+O=C(Nc1cc[nH]n1)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2,0
+C[NH+](C)C(CNC(=O)NCC1(O)CCCc2ccccc21)c1ccsc1,0
+COc1cc(C=C(C#N)c2nn(CCO)c(N)c2C#N)ccc1Oc1c(F)c(F)c(F)c(F)c1F,0
+Nc1c(NN(c2ccccc2)c2ccccc2)nc[nH+]c1Nc1ccc(Cl)c(Cl)c1,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4cccc(OC(F)(F)F)c4)c3)cc12,1
+CCOC(=O)C1=C(C[NH+]2C3CCC2CC(O)(c2ccc(F)cc2)C3)NC(=O)NC1c1ccc(Cl)cc1,0
+Cc1cc(NCCNC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c2ccccc2[nH+]1,0
+C=CCOc1ccc(C(O)=C2C(=O)C(=O)N(CCC[NH+](C)C)C2c2ccc(Cl)c(Cl)c2)cc1,0
+CCCC1C(c2ccccc2)[NH2+]C(c2ccccc2)CC1(O)Cc1ccccc1,0
+COc1ccc(Cl)c(NC(=S)N(Cc2ccccc2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1,0
+CC[NH+](CC)CCN(C(=O)C1CCCN1S(=O)(=O)c1ccc(OC)cc1)c1nc2ccccc2s1,0
+COc1ccc(CN2CC(=O)N3C(CC4=c5ccccc5=[NH+]C4C3c3ccccc3OC)C2=O)cc1OC,0
+CCc1ccccc1NC(=S)NN=C1C(=O)N(Cc2cccc(C)c2)c2ccc(Br)cc21,0
+Cc1cc(OCC(N)=O)ccc1NC(=O)NCC(c1ccco1)[NH+]1CCCC1,0
+CCCNC(=O)C[NH+](CCC)CC(=O)Nc1sc2c(c1C(N)=O)CCCC2,0
+CC1=C(C[NH+](C)C2CCN(c3ccc(-c4ccn[nH]4)cc3)CC2)NON1,0
+C[NH+](C)CCCn1c(SCC(=O)Nc2cccc(I)c2)nnc1-c1ccncc1,0
+CCC(C)[NH+]=C(N)SCc1cc(=O)oc2cc(C)c(C(C)C)cc12,0
+COc1ccc(-c2cn(-c3ccc(F)cc3)c(=NC(=O)CN(CC[NH+](C)C)C(=O)c3ccccc3C)[nH]2)cc1,0
+Cn1nnc(-c2ccc3nc(-c4ccccc4)c(-c4ccc(CN5CCC(n6c(O)nc7ccccc76)CC5)cc4)nc3c2)n1,1
+CC(C)NC(=O)NC1CC2C(=O)NCC(CCC(=O)N3CCCCC3)[NH+]2C1,0
+Cc1sc2ncnc(-n3cc(Br)cn3)c2c1C,0
+COC1(Cc2cc(O)c(O)c(Br)c2Br)C(=O)OC2C(O)COC21O,0
+CCCC1C(c2ccccc2)[NH2+]C(c2ccccc2)CC1(O)Cc1ccccc1,0
+C=CCNC(=O)c1ccc(NC(=O)NCCCC[NH+]2CC(C)CC(C)C2)cc1,0
+CCCCN(C(=O)C[NH+]1CCN(C(=O)C2CC2)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,0
+Nc1c(NN(c2ccccc2)c2ccccc2)nc[nH+]c1Nc1cccc(Br)c1,0
+CNC(=O)NC(=O)C(C)[NH2+]CC1(c2ccc(F)cc2)CCOCC1,0
+CCOc1cccc(C2CC(c3ccc(Cl)cc3)=NC(c3ccc(Br)cc3)[NH2+]2)c1O,0
+Cc1cc2oc(=O)cc(CSc3nnc(C(C)[NH+]4CCCCC4)n3-c3ccc(F)cc3)c2cc1C,0
+NC(=O)Cn1cc(NC(=O)C[NH+]2CCCNCC2)cn1,0
+OC(C[NH2+]CC(O)C1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1,0
+CC(NCC[NH+]1CCCCC1)C(=O)NC(N)=O,0
+C[NH+]1CCN(C(=O)c2ccccc2NC(=O)COc2c(Cl)cc(Cl)cc2Br)CC1,0
+CC(C)C([NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1)c1ccc(Cl)cc1,0
+CCCCn1c(C[NH2+]C(c2cccs2)C(C)C)nc2cc(S(N)(=O)=O)ccc21,0
+O=c1c(C2[NH2+]CCc3c2[nH]c2ccccc32)c(O)nc(O)n1CCc1ccccc1,0
+Cc1cc(N)ccc1NC(=O)C[NH+]1CC2(C)CC1CC(C)(C)C2,0
+COc1ccc(CNC(=O)CCC2CNC(=O)C3CC([NH2+]Cc4ccccc4)C[NH+]23)cc1,0
+Cc1c(-c2cncc(OCC(N)Cc3c[nH]c4ccccc34)c2)cc(C#N)c(=O)n1C,1
+Cc1cc(Br)cc2c1NC(=O)C2[NH2+]C1CCCC(O)C1,0
+C[NH+](C)Cc1cc2oc(=O)c3c(c2cc1O)CCCN3,0
+Cc1nn(CC(=O)Nc2cc(Cl)c(N)c(Cl)c2)c(C)c1[N+](=O)[O-],0
+Nc1ncnc(N2CCC3(CCCN(CC(O)CNS(=O)(=O)c4ccccc4Br)C3)C2)c1C1CC1,1
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cc(F)cc(F)c1,1
+C=CCNC(=O)NC(=O)CSc1nc2sc3c(c2c(=O)n1CCC[NH+](C)C)CCCC3,0
+C[NH+](CCNC(=O)NCC(=O)Nc1ccc(F)c(F)c1F)Cc1ccccc1,0
+NS(=O)(=O)c1cccc(NC(=O)C[NH+]2CC3CC4CC(C3)CC2C4)c1,0
+Cc1cc(Br)cc2c1NC(=O)C2[NH2+]C1CCCCC1O,0
+Cc1ccc(NC(=S)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1Cl,0
+FC(F)(F)c1cccc(N2C(=S)C3(CCCCC3)C(N3CCCC3)C2=[NH+]C2CCCCC2)c1,0
+C[NH+]1CCN(S(=O)(=O)c2ccc(SCC(=O)Nc3sc4c(c3C(N)=O)CCC4)nc2)CC1,0
+CCC(CC)[NH+](CCO)C(c1cc(Br)cs1)C(C)N,0
+CCCCNC(=O)NC(=O)C(C)Nc1ccc(N2CC[NH+](CC)CC2)cc1C,0
+CC(C(=O)Nc1ccccc1F)[NH+]1CCN(CC2=NC(=O)C3=C(c4cccs4)CSC3=N2)CC1,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)c2cccc(Cl)c2)CC12CC[NH2+]CC2,0
+N=C(NC(=NO)c1nonc1N)N1CCCN=C1N,1
+O=C1Nc2ccccc2C1=Cc1c[nH]nc1-c1ccccc1[N+](=O)[O-],1
+O=C1C2C(c3ccc(F)cc3)NC(c3ccc(F)cc3)C1C(c1ccc(F)cc1)[NH2+]C2c1ccc(F)cc1,0
+COC(=O)c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+CC[NH+](CCN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)CC1=CCC2CC1C2(C)C,0
+CSCCC([NH3+])C(=O)N1CCC(C(=O)NC(C(=O)NC(C)c2ccccc2)C(C)C)CC1,0
+Cc1cc(-c2cn(CCO)c(C3CCN(c4ncnc(N)c4C#N)CC3)n2)ccc1F,1
+CC1CN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)C(C)CN1,1
+COc1ccc(NC(=S)N(Cc2ccc(C)o2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1,0
+c1ccc(-c2cc3cccnc3nc2-c2ccc(CN3CCC(c4n[nH]c(-c5ccccn5)n4)CC3)cc2)cc1,1
+CC1=C(C(=O)OCC2CCCO2)C(c2coc3ccc(C)cc3c2=O)C2=C(CC(c3ccco3)CC2=O)N1,0
+CN(C)c1ccc(NC2C(=O)Nc3cccc(Cl)c32)c[nH+]1,0
+CN1CCc2nc3sc(C(=O)NCCC4=c5ccccc5=[NH+]C4)c(N)c3cc2C1,0
+COc1cccc2cc(C(N)=O)c(=[NH+]c3ccc(O)cc3)oc12,0
+COc1ccc(CCNC2N=C3N=[NH+]C(N)=C3C3=C2CN(C)CC3)cc1OC,0
+C[NH+]1CC2C(C3C=C(C(C)(C)C)N=N3)NC(CO)(CCO)C2C1,0
+CC1CC[NH+](CC(O)CNC(=O)Nc2ccc(OC(F)F)c(F)c2)CC1,0
+[NH2+]=C(NN=Cc1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1,0
+CCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1,1
+C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCc2cccc(O)c2)c1,0
+O=S(=O)(Oc1ccccc1)C1CN(c2ccc(Cl)cc2Cc2ccccc2)CC[NH2+]1,0
+O=C1Nc2cc(F)ccc2C1[NH2+]Cc1ccc(Br)s1,0
+CC(c1ccc(F)c(F)c1)[NH+](C)CC(=O)Nc1cccc(S(N)(=O)=O)c1,0
+CC1(C)CC2=C3C(=O)N(CC(=O)NCCC[NH3+])C(=O)N=C3SC2CO1,0
+[H]N=C1C(C(=O)N2CCCCC2)=C(Nc2c(C)cccc2C)SC1C(=O)Nc1cc(OC)ccc1OC,0
+CCN(CC)S(=O)(=O)c1cc(NC(=O)C(C)[NH2+]CCC[NH+](C)C)ccc1C,0
+COc1ccccc1NC(=O)c1ccc(NC(=O)C(C)[NH2+]C(C)c2ccc3c(c2)CCCC3)cc1,0
+Oc1c(Br)cc(Br)cc1C=NN1C(=S)N=[NH+]C1c1ccc(Cl)cc1,0
+Nc1c(NN(c2ccccc2)c2ccccc2)nc[nH+]c1Nc1cc(Cl)cc(Cl)c1,0
+CCOC(=O)N1CC[NH+](CC(=O)N2CCNC(=O)C2CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1,0
+CCC(C)C(NC(=O)C1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc2c(c1)OCO2,0
+CCC[NH+]1CCc2c(sc(NC(=O)Cc3ccc(Cl)s3)c2C(N)=O)C1,0
+O=C(CCc1ccccc1)NCCCCNc1cc[nH+]c2cc(Cl)ccc12,0
+CNC(=O)C1CCC[NH+]1C(c1cc(Br)cs1)C(C)N,0
+CCCC1(C(=O)Nc2cc(Br)ccc2N(C)C)CC[NH2+]C1,0
+CC[NH2+]C(C)CC(=O)Nc1ccc(I)cc1Cl,0
+CCN(CC)c1ccc(C=C2C(=O)N(c3nc(-c4ccc(Br)cc4)cs3)N=C2C)c(O)c1,0
+O=C(CCc1ccccc1)Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,1
+CC1(C)CC2=C3C(=O)N(CC(=O)NCC[NH3+])C(=O)N=C3SC2CO1,0
+NS(=O)(=O)c1ccc([NH+]=c2oc3cc(O)ccc3cc2C(=O)Nc2cc(Cl)ccc2Cl)cc1,0
+COc1cc(C2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2CCO)cc(Br)c1O,0
+CCCCC([NH2+]CCC)c1cc2[nH]c(=O)[nH]c2cc1Br,0
+Cc1ccc(COc2ccc(Br)cc2C=NNC(=O)CSc2nnc(N)s2)cc1,0
+Nc1ncccc1-c1nc2ccc(-c3cccnc3)nc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,1
+NC(COc1cncc(Nc2ccncc2)c1)Cc1c[nH]c2ccccc12,1
+COc1ccc2[nH]c3c(c2c1)CC[NH2+]C3c1ccc(OC2CCCC2)c(OC)c1,0
+COc1ccc2c(c1)=C(CCN(Cc1cccs1)C(=S)NCc1ccccc1)C(C)[NH+]=2,0
+O=C(NC(=S)Nc1cccc(S(=O)(=O)NC2=[NH+]CCC2)c1)c1ccc(F)cc1Cl,0
+O=C(CCCCC1SCC2NC(=O)NC21)Nc1ccccc1C[NH+]1CCCC1,0
+CCC(c1nnnn1C1CCCCC1)[NH+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O,0
+Cc1cccc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1C,1
+O=C(NC(c1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccc2cnccc2c1,1
+O=C(COc1ccccc1)NC1c2ccccc2C2(CC[NH+](Cc3cc(Cl)ccc3O)CC2)C1O,0
+CCOc1ccccc1NC(=O)Nc1cccc(C2C=c3ccccc3=[NH+]2)c1,0
+Cc1c[nH]c2ncnc(N3CCC(N)(CNC(=O)c4ccccc4)C3)c12,1
+CC(C)[NH+](CCCO)CC(=O)Nc1ccc(Br)cc1Cl,0
+CN(Cc1ccccc1Br)c1cc(Cl)ccc1C(N)=[NH2+],0
+CCC(CC)C(=O)N1CC(C(=O)NC2C[NH+]3CCC2CC3)C2(CC[NH2+]CC2)C1,0
+CCOc1ccc(C(C(=O)NC(C)(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2ccccc2C)cc1,0
+COc1cc2c(c(OC)c1OC)-c1ccc(NCCC3=c4ccccc4=[NH+]C3)c(=O)cc1C(NC(C)=O)CC2,0
+NC1(c2ccc(-c3nc4c(-c5cccc(F)c5)cccn4c3-c3ccccc3)cc2)CCC1,1
+N#CCc1ccc(OCC(O)C[NH2+]CC2([NH+]3CCCCC3)CCCCC2)cc1,0
+COc1ccc(Br)cc1C=NNC(=[NH2+])NN=Cc1cc(Br)ccc1OC,0
+Cc1cc(OCC(=O)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)c(C(C)C)cc1Br,0
+[H]N=C1NC2N=CN=C2C(SCc2ccccc2)=[NH+]1,0
+CCCN1CCC([NH2+]Cc2ccc(OC)c(OCC(O)CN3CC[NH+](C)CC3)c2)CC1,0
+O=C(c1ccc2c(c1)OCO2)N1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+Nc1cc(Nc2ccc(F)cc2)cc(S(N)(=O)=O)c1,0
+CC[NH+]1CCN(CCc2[nH]c3c([nH+]2)C(=O)NCC(C)(C)C3)CC1,0
+CCC([NH3+])C(c1cc(Br)cs1)N1CCC(O)C1,0
+CC1CN(C(=O)C2(C[NH3+])CCCCCC2)CC(C)O1,0
+O=C1OC(c2cccc(Br)c2)=NC1=Cc1cc2c(cc1Cl)OCO2,0
+COc1ccc(CCN2CNC(SCc3c(C)c(C)c(C)c(C)c3C)=[NH+]C2)cc1OC,0
+Cc1c(Cl)cccc1NC(=O)C(=O)NCC(c1ccccc1Cl)[NH+](C)C,0
+COC(=O)C(CCSC)NC(=O)N1CCc2[nH]c[nH+]c2C1c1ccc(Br)cc1,0
+CC(C(=O)Nc1sc2c(c1C(N)=O)CCC2)[NH+](C)CCCOc1ccccc1,0
+CC1(C)CC(Nc2ncnc(Nc3ccc(Br)cn3)c2N)CC(C)(C)[NH2+]1,0
+Cc1ccc(C2c3cc(OCc4ccc(C(=O)N5CC[NH+](C)CC5)o4)ccc3CCN2C(=O)CC(C)C)cc1,0
+NC1(c2ccc(-n3c(-c4ccc(Cl)cc4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1,1
+COc1ccccc1N(CC(=O)NC(C)c1ccc(S(C)(=O)=O)cc1)S(=O)(=O)c1ccc(C)cc1,0
+CCCNCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,1
+C[NH+](C)Cc1cccc(CNC(=O)Nc2ccccc2SCC(N)=O)c1,0
+NS(=O)(=O)c1ccc(F)c(NC(=O)C=Cc2cccs2)c1,0
+C[NH+]1CCN(c2nc3ccc(NC(=O)C4CCCN(S(=O)(=O)c5cccs5)C4)cc3s2)CC1,0
+O=C(NC(C(=O)NN=CC1=c2ccccc2=[NH+]C1)c1n[nH]c(=O)c2ccccc12)c1ccccc1,0
+CN(CC1CCCCO1)C(=O)C([NH3+])CC(N)=O,0
+O=C(NN=Cc1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1)C(=O)Nc1ccc(Cl)cc1,0
+Cn1c(=O)[nH]c2ccc(-c3cnc(NCC(N)Cc4ccc(C(F)(F)F)cc4)s3)cc21,1
+CCOc1cc(C2NC(=[NH2+])Nc3nc4ccccc4n32)ccc1OC(C)C(=O)N(C)C,0
+CCOc1ccccc1NC(=O)Nc1ccc(N(C)C)c(C(=O)NCC[NH+](CC)CC)c1,0
+CC1CC(C)C[NH+](CC(C)NC(=O)N(C)Cc2cccc(C(N)=O)c2)C1,0
+NC(CNc1nnc(-c2ccc3[nH]ncc3c2)s1)Cc1ccc(Cl)cc1,1
+CC[NH+]1CCCC1CNC(=O)C1(O)c2cc(Br)ccc2NC(=O)N1c1cccc(OC)c1,0
+COc1cc(C[NH2+]CC2CCCO2)cc(Br)c1OCc1ccc(Cl)cc1Cl,0
+COc1ccc(-c2csc(NC(=S)NC(=O)c3cccc(C)c3OC)n2)cc1OC,0
+COC(=O)c1c(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)sc2c1CCC(C)C2,0
+CN(C)c1ccc(C(CNC(=O)C(=O)Nc2ccc(Cl)cc2)[NH+]2CCc3ccccc3C2)cc1,0
+Cl.Cn1ncc(-c2ccccc2)c1-c1ccc(C(=O)NC2CNCCC2c2cccc(F)c2)s1,1
+NC(CNc1nnc(-c2ccc3cnccc3c2)s1)Cc1ccc(C(F)(F)F)cc1,1
+CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccsc3)COc3cccc(F)c3-4)cc2)C1,1
+CCCN(CC(F)(F)F)C(c1ccc(Br)cc1)C(C)[NH3+],0
+CCC(c1nc2ccccc2c(=O)n1Cc1ccccc1)[NH+]1CCN(C(=O)Nc2ccccc2F)CC1,0
+NC(CNc1nnc(-c2ccc3[nH]nc(C4CC4)c3c2)s1)Cc1ccc(C(F)(F)F)cc1,1
+NS(=O)(=O)c1ccc(CC[NH2+]C2CC(=O)N(Cc3cccs3)C2=O)cc1,0
+Cc1c(Nc2c(C#N)cncc2C=CCCN2CCCC(N)C2)ccc2[nH]ccc12,1
+O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)NNC(=O)C1COc2ccccc2O1,0
+CC1CCC[NH+](CC(C)NC(=O)NNC(=O)c2cc(Br)c[nH]2)C1,0
+NC(=O)C1C2=C(CCC2)SC1NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3,0
+Nc1c(Nc2cc[nH+]cc2)ncnc1Oc1cccc2cccnc12,0
+COCC(=O)N1CCc2nc(N3CC[NH+](C)CC3)nc(N3CCC(C)CC3)c2C1,0
+C[NH+](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1ccc(Cl)s1,0
+COc1cc2ncc3c(N)nc(-c4cncc(OCC(N)Cc5cccc(Cl)c5)c4)cc3c2cc1OC,1
+NCC(Cc1ccccc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,1
+COc1cc(OC)cc(C(=O)NCCC(=O)N2CCC3(CC2)NCCc2[nH]c[nH+]c23)c1,0
+CC(C)NC(=O)NCC1OC(CC(=O)NCC[NH+]2CCOCC2)C(O)C1O,0
+Cc1cc(C)c(CC(N)COc2cncc(-c3cc4c(C)n[nH]c4cn3)c2)c(C)c1,1
+CCC(C)[NH+](C)CCCC(=O)Nc1c(N)cc(Cl)cc1Cl,0
+CCNC(=O)N1CCC([NH2+]Cc2cn(CCC(N)=O)c3ccccc23)CC1,0
+NC(=[NH2+])SCC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2,0
+CC(NC(N)=O)C(=O)NCC1CC2c3ccccc3C1c1ccccc12,0
+CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C(N)=C(C#N)C2c1ccc([N+](=O)[O-])s1,0
+OC(COc1ccc(F)cc1)C[NH+]1CCC(C(O)c2ccc(Cl)cc2)CC1,0
+COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)C[NH+]1CCN(c2cccc(C)c2)C(C)C1,0
+CCCC(C)NC(=O)C1CCC[NH+](CCC(=O)NC(=O)NCc2ccco2)C1,0
+NC1(c2ccc(-c3c(-c4ccccc4)ccc4ccnn34)cc2)CCC1,1
+CN(Cc1cccc(Br)c1)c1ccc(Cl)cc1C(N)=[NH2+],0
+Cc1ccc(NC(=O)CSc2nc(N)cc(=O)[nH]2)c(Br)c1,0
+CN(C)S(=O)(=O)c1ccc(CCCCc2ccc(N3C(N)=NC(N)=[NH+]C3(C)C)cc2Cl)c(Cl)c1,0
+CC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1cccnc1,1
+CC1CN(Cc2ccc(C[NH2+]C(C(N)=O)c3ccc(F)cc3)cc2)CC(C)O1,0
+Nc1c2c(-c3ccc(F)cc3)nc(NCC[NH+]3CCCC3)nc2nn1-c1ccc(Cl)cc1,0
+Cc1cccc(COC(C[NH+]2CCN(C(=O)Nc3cc(F)ccc3F)CC2)c2ccc(Cl)cc2)c1,0
+O=S(=O)(N=C1N=c2ccccc2=[NH+]C1Nc1ccc(OC(F)(F)F)cc1)c1cccc(Cl)c1,0
+CC1Cc2c(ccc(F)c2F)N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(n5ncc6c(N)ncnc65)CC4)cc3)nc2n1,1
+O=C(C1=C(O)C(=O)N(CC[NH+]2CCOCC2)C1c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCO2,0
+COCC(=O)Nc1nc2c(s1)CC1C(C)(CO)C(O)CCC1(C)C2CC(=O)NC1CCCC1,0
+Cc1ccc(C)c(NC(=O)C(C)[NH2+]CC2(N3CCSCC3)CCCC2)c1,0
+CC1CC(C)C[NH+](CC(C)NC(=O)NNC(=O)OC(C)(C)C)C1,0
+CCc1ccc(C(C)NC(=O)C2CN(C(=O)c3csc4ccccc34)CC23CC[NH2+]CC3)cc1,0
+CC(CNC(=O)NNC(=O)CCSc1ccc(F)cc1)C[NH+]1CCCCC1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1c2ccccc2CC1CF,1
+CCC(C)NS(=O)(=O)c1ccc(NC(=O)C[NH2+]C2CCCCCC2)cc1,0
+CCc1ccccc1NC(=O)C(=O)NCCC[NH+]1CCc2ccccc2C1,0
+C=C1CCCC2(C)CC3OC(=O)C(C[NH+]4CCN(C(=O)c5ccco5)CC4)C3CC12,0
+CC(CNC(=O)C(=O)Nc1cc2c(cc1Cl)NC(=O)CO2)[NH+]1CCCC1,0
+Cc1ccc(C)c2[nH]c(=O)c(C[NH+](CCCO)C(c3nnnn3C3CCCCC3)C(C)C)cc12,0
+CC[NH+](CC(=O)NC)CC(=O)NC(C)c1ccc(Br)cc1,0
+Cn1cc(-c2c(Br)cnn2C)cc1C(=O)NC1CNCCC1c1ccc(Cl)cc1,1
+OC1(c2ccccc2)CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+Cc1ccc(C(C)NC(=O)CNc2ccccc2[NH+]2CCC(O)CC2)cc1C,0
+Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)C(C(=O)NCc2ccccc2)c2ccc(C)o2)cc1,0
+CCOC(=O)N1CCC([NH2+]C2CCc3c(sc4ncn(CCCc5ccccc5)c(=O)c34)C2)CC1,0
+Cc1cc(C)cc(Oc2nccnc2C(N)=NO)c1,0
+CCOC(=O)c1c(N)sc2c1C[NH2+]C(C)C2,0
+CCOc1ccc(-c2c[nH+]c(NCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2C)cc1,0
+N#Cc1c(NC(=O)C(=O)NN=Cc2ccc(O)cc2O)sc2c1CCCC2,0
+CC1Cc2c(Br)cccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+CCn1c(Sc2ccc3scnc3c2N)n[nH]c1=O,0
+COc1ccccc1NC(=O)c1c(NC(=O)C[NH2+]CCc2ccccc2)sc2c1CCCCC2,0
+Cc1cc(C(=O)N2CC(C(=O)NC(C(=O)NC(C)(C)C)C(C)C)C3(CC[NH2+]CC3)C2)nn1C,0
+CC(C)c1cccc(C(C)C)c1NC(=O)NCc1ccc(C[NH+](C)C)cc1,0
+CCC1COC(C)CN1c1n[nH+]c(C)c(C)c1C(N)=NO,0
+C[NH+](C)Cc1ccccc1CNC(=O)NNC(=O)OC(C)(C)C,0
+COc1ccc(CCNC(=[NH2+])NCC2(c3ccc(F)cc3)CCOCC2)cc1,0
+C1=C(c2ccc(Oc3ccccc3)cc2)NN2C1c1ccccc1OC21CC[NH2+]CC1,0
+COc1ccc(N2N=C(CSC3N[NH2+]NN3c3ccccc3)CC2=O)cc1,0
+Cc1c(Cl)cccc1NC(=S)NNC(=O)c1cccc(S(=O)(=O)N2CC(C)CC(C)C2)c1,0
+CCN(c1nc[nH+]c(NN(C)C)c1N)c1cccc2ccccc12,0
+CCOc1ccc(NC(=[NH2+])Nc2nc(CSc3ccc(Cl)cc3)cc(=O)[nH]2)cc1,0
+Nc1n(N=Cc2ccc([N+](=O)[O-])cc2)c2ccccc2[n+]1CCO,0
+CNS(=O)(=O)c1cc(C(=O)OC(C)C(=O)Nc2sccc2C(N)=O)ccc1Cl,0
+CC(Sc1nc(N)cc(=O)[nH]1)c1cccc(N)c1,0
+CC1CCC2(CC1)NC(=O)N(NC(=O)CC1=c3ccccc3=[NH+]C1)C2=O,0
+CCCCn1c(N)c(N(CC)C(=O)C[NH+](C)Cc2c(OCCC)ccc3ccccc23)c(=O)[nH]c1=O,0
+O=C1N(CC2CC2)CCCC1(O)C[NH2+]C1CCN(c2ccccc2)CC1,0
+CCN(CC)c1nc[nH+]c(NN(c2ccccc2)c2ccccc2)c1N,0
+CCC(C)[NH2+]C(C)(C(N)=O)c1ccc(F)c(Br)c1,0
+COc1ccccc1CC1CCC[NH+](CC(=O)Nc2sccc2C(N)=O)C1,0
+COc1ccc(CN2C(=O)C3C(C(C)O)[NH2+]C4(C(=O)Nc5c4ccc(C)c5C)C3C2=O)cc1,0
+CCOC(=O)N1CCC2(CC1)N=C(c1cc(OC)ccc1O)CC(c1ccccc1O)[NH2+]2,0
+C[NH+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1ccccc1Cl,0
+COC(=O)C(CC1=c2ccccc2=[NH+]C1)NC(=O)C(NC(=O)OCc1ccccc1)C(C)C,0
+O=C(CC1[NH2+]CCNC1=O)Nc1ccc(NC(=O)c2ccccc2)cc1,0
+CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)Nc2ccc(OC)cc2C)cc1,0
+Cc1cccc(C)c1NC(=O)C[NH+](C)C(C)c1nc2sc3c(c2c(=O)[nH]1)CCC(C)C3,0
+Cc1n[nH]c2ccc(-c3nnc(NCC(N)Cc4ccccc4)s3)cc12,1
+c1nc(N2CCC3(CCCNC3)CC2)c2nc[nH]c2n1,1
+Cn1c(CC(=O)N2CCc3c(Cl)cccc32)nc(N2CCOCC2)cc1=O,1
+Cc1ccc(CC(=O)NCc2ccc(S(N)(=O)=O)s2)s1,0
+C=CCOc1ccc(C2[NH+]=C(N)Nc3nc4cc5c(cc4n32)OCCCO5)cc1,0
+NC(=O)c1cccc2c(NC(CN3CCC3)c3ccc(Cl)c(C(F)(F)F)c3)ncnc12,1
+O=C1C2CC3=c4ccccc4=[NH+]C3C(c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCc1ccc(F)cc1,0
+c1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,1
+[NH3+]CCCCCCNc1ncnc2c1ncn2C1CC(O)C(CO)O1,0
+CCCNC(=O)c1cccc(NC(=O)C[NH2+]Cc2ccc(OC(C)C)cc2)c1,0
+C[NH+]1CCc2c([nH]c3ccccc23)C1c1c(O)nc(O)n(-c2ccc(Br)cc2)c1=O,0
+O=C(NCCNc1ccccc1)C1CN(C(=O)c2ccc3ccccc3c2)CC12CC[NH2+]CC2,0
+CCc1ccc(C(CNC(=O)c2c[nH]c(=O)c(Cl)c2)[NH+](C)C)cc1,0
+CCC([NH3+])C(c1ccc(Br)s1)N1CCCCC1CO,0
+C[NH+]1CCc2c(sc(NC(=O)CSc3ccccc3)c2C(N)=O)C1,0
+COc1ccc2c(c1)=C1CCNC(C3C(=O)NC(=S)N(Cc4ccccc4)C3O)C1[NH+]=2,0
+CCn1c(-c2nonc2N)nc2c(-c3cc[nH]c3)ncc(OCCCN)c21,1
+Nc1ccc(-c2nnc(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)[nH]2)cn1,1
+COc1ccc(NC(=O)C(C2CCCC2)[NH+]2CCN(C(=O)c3cccc(Br)c3)CC2)cc1,0
+CCCN(CC(=O)NC)c1c(N)c[nH+]c2ccc(Br)cc12,0
+COc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)sc2c1,0
+CCC(C)[NH+](C)CCNC(=O)NC1CCCc2[nH]c(=O)ccc21,0
+CCn1c(=O)c(C(=O)C[NH+](C)CC(=O)Nc2ccccc2SC)c(N)n(Cc2ccccc2)c1=O,0
+Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(N)=[NH2+])CC(C)(C)C3)cc1Cl,0
+CCC1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+NCC(Cc1ccccc1F)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,1
+CC(C)CC(C)[NH+](C)CC(=O)Nc1c(N)cc(Cl)cc1Cl,0
+OCCOCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1Cl,0
+O=C(Nc1ccccc1)Nc1cccc(C2=NOC(C3C=c4ccccc4=[NH+]3)N2)c1,0
+COC(=O)c1c(NC(=O)COc2ccccc2F)sc2c1CC(C)(C)[NH2+]C2(C)C,0
+CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)NC)CC[NH+](C)C3)cc1,0
+NC(=O)c1cccc(-c2cnc3cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nn23)c1,1
+Cc1ccc(C2CC(C(F)(F)F)N3NC(C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)=CC3=[NH+]2)cc1,0
+[NH3+]CCCC(=O)Nc1ccc(N2CCCS2(=O)=O)c(Cl)c1,0
+O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(O)c(Sc3ncn[nH]3)c2)cc1,1
+NC1(c2ccc(-c3nn4c(-c5ccc(F)c(CO)c5)cnc4cc3-c3ccccc3)cc2)CCC1,1
+CC[NH+]1CCc2c(sc3c2C(O)=NC(c2cccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)c2)N3)C1,0
+O=C(Nc1cc(Cl)cc(Br)c1OC(F)F)C1CC(O)C[NH2+]1,0
+O=C(C(CC1=c2ccccc2=[NH+]C1)N1CCS(=O)(=O)CC1)N1CCOCC1,0
+CCCCN(C(=O)C[NH+]1CCCCCC1c1ccc(OC)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O,0
+CC(NC(C(=O)NC(C)(C)C)C(C)C)c1ccc(N2CC[NH+](C)CC2)c(F)c1,0
+CC1SCc2ncnc(N3CCN(C(=O)C(N)Cc4ccc(Cl)cc4)CC3)c21,1
+Cc1ccc(C2CC(C(F)(F)F)N3NC(C(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)=CC3=[NH+]2)cc1,0
+O=C(COc1ccc(C=NNC(=O)C(=O)Nc2ccc(Br)cc2)cc1)Nc1ccccc1,0
+CC(=NNc1nnc(SCC(=O)NCc2ccco2)n1N)c1ccc2ccccc2c1,0
+NC(=[NH2+])c1ccc(-n2cc(Br)cn2)c(F)c1,0
+CC([NH2+]Cc1ccc(S(N)(=O)=O)cc1)C(=O)N1CCCc2ccccc21,0
+O=c1[nH]c(C[NH+](CCO)Cc2nc3sccc3c(=O)[nH]2)nc2sccc12,0
+CCOc1c(Br)cc(Cl)cc1NC(=O)C1CC(O)C[NH2+]1,0
+Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2-c2ccc(CO)cc2)CC1,1
+O=C(C[NH+]1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1)Nc1ccccc1C(F)(F)F,0
+CCCC[NH+](CC(N)=O)CC(=O)Nc1ccccc1I,0
+NC(=O)c1ccc(Nc2nc3c(s2)CCC3)c(N)c1,0
+COc1cccc(NC(=O)c2sc3[nH+]c4cc(OC)c(OC)cc4cc3c2N)c1,0
+Cc1c[nH]c2ncnc(N3CCC(N)C3)c12,1
+CC(C)(C)NS(=O)(=O)c1ccc(NC2CC[NH+](CC(N)=O)CC2)c([N+](=O)[O-])c1,0
+CC(C)C(=O)NC1NC(=CC(=O)Nc2nc(C3=c4ccccc4=[NH+]C3)cs2)CS1,0
+OC(C[NH+]1CCC(C(O)c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1,0
+O=c1nc2n3cc(C(F)(F)F)cc(Cl)c3ncc-2s1,0
+OC(c1cc(Nc2ccc(Cl)cc2)nc2ccccc12)C1CCCC[NH2+]1,0
+CCC(N)C(c1cccs1)[NH+](C)Cc1csc(Br)c1,0
+CCCCc1ccc(C(=O)N(CCCCCC[NH3+])C(C)c2nc3ccccc3c(=O)[nH]2)cc1,0
+C=CC(C)(O)C[NH+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F,0
+CSc1ccc2cc(C[NH2+]Cc3ccccc3F)c(N3CCCC(CO)C3)[nH+]c2c1,0
+CC1[NH+]=c2ccc(F)cc2=C1CCNC(N)=NS(=O)(=O)c1ccc2c(c1)OCCO2,0
+CCOC(=O)c1c([NH+]=c2oc3c(OCC)cccc3cc2C(=O)Nc2ccccc2)sc2c1CCCC2,0
+CCCCCNC(=O)C1CN(C(=O)C(C)CC)CC12CC[NH2+]CC2,0
+CN(C)C(=O)COc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1,1
+CN(c1ccc(OCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1)S(=O)(=O)c1cccs1,0
+NC(COc1cncc(-c2ccc3c(O)nccc3c2)c1)Cc1c[nH]c2ccccc12,1
+Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)NC3=[NH+]CCC3)c2)cc1NC(=O)c1ccco1,0
+Cc1ccsc1C[NH+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)C(C)C,0
+CN(Cc1csc(Br)c1)C(=O)Cc1csc(N)n1,0
+CNC(=O)c1ccc(C[NH+](CC(=O)Nc2sccc2C(N)=O)Cc2ccco2)cc1,0
+COC(=O)c1cc(Br)ccc1S(=O)(=O)Oc1cc(C(=O)[O-])ccc1[N+](=O)[O-],0
+N#Cc1c(NC(=O)C[NH+]2Cc3ccccc3CC2C(N)=O)sc2c1CCC2,0
+CC1CCC[NH+](CCCNC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1,0
+NS(=O)(=O)c1ccc(CNC(=O)CSC2[NH+]=c3ccc([N+](=O)[O-])cc3=[NH+]2)cc1,0
+CC([NH2+]Cc1cc(Br)ccc1OCC(N)=O)C12CC3CC(CC(C3)C1)C2,0
+OC(C[NH2+]CC(O)C1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1,0
+[NH3+]CCCCNC(c1cccs1)c1ccc(Cl)s1,0
+C[NH+]1CCCN(C(=O)NC(Cc2c[nH+]c[nH]2)C(=O)[O-])CC1,0
+Cc1ccc(NC(=O)C(C)[NH+](C)CC(=O)Nc2c(C)cc(C)cc2C)c(C)c1,0
+CCC[NH+]1CCc2c(sc(NC(=O)CS(=O)(=O)c3ccc(Cl)cc3)c2C(N)=O)C1,0
+O=C(CSc1nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2s1)Nc1ccc(F)cc1,0
+O=C(NCCc1cccs1)C1CN(C(=O)CCCc2ccccc2)CC12CC[NH2+]CC2,0
+NC(=O)c1cccc(-c2ccc3c(c2)nn2cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nc32)c1,1
+OC1CCCCC1Oc1c(Cl)cc(Cl)cc1C[NH2+]C1CC1,0
+Cc1ccc(C)c(NC(=O)C[NH+](C)C(C)C(=O)Nc2sccc2C(N)=O)c1,0
+Cc1cc(C)cc(C(=O)NC(C)C(=O)N2CCC3(CC2)NCCc2[nH+]c[nH]c23)c1,0
+CCOc1cc(C[NH2+]CCN(C)C)cc(Br)c1OCc1ccc(Cl)cc1Cl,0
+COCCOc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2n1,1
+CCN(c1ccccc1)c1nc[nH+]c(Nc2ccc(C)c(Cl)c2)c1N,0
+CC(C)NC(=O)NNC(=O)C[NH+]1CCS(=O)(=O)CC1,0
+CC(=NNC(N)=S)C(C[NH+](CC(C)C)CC(C)C)C(=O)Nc1ccc(C)cc1C,0
+NC(=O)CSc1nc(N2CC[NH+](CC(N)=O)CC2)c2c3c(sc2n1)CCCC3,0
+O=C(NCCNc1ccc(C(F)(F)F)c[nH+]1)Nc1cccc(Cl)c1Cl,0
+CC([NH3+])C(c1ccccc1Br)N(C)Cc1cc(Br)cs1,0
+CCCC[NH+]1CCC(CNC(=O)C2CN(C(=O)C3(C)CCCCC3)CC23CC[NH2+]CC3)CC1,0
+Cc1n[nH]c(=O)c2c1C(C)OC2NC(=O)C[NH+]1CCCCC1C,0
+Cc1c2c(cc3c1OC(=Cc1ccccn1)C3=O)CN(Cc1ccco1)CO2,0
+COc1ccc(C2CC(c3cc(C)ccc3C)=NN2C(=O)C[NH+]2CCN(Cc3ccccc3)CC2)c(OC)c1,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)c2ccccc2Cl)CC12CC[NH2+]CC2,0
+COC(=O)c1c(NC(=O)CC[NH3+])sc2c1C(C(=O)OC)CC2,0
+CC(C)CC(C)NC(=O)C1C[NH2+]CC1C(=O)NC1CCCc2ccccc21,0
+C=CCn1c(SC(C)C(=O)NC(=O)NCC(C)C)nc2sc3c(c2c1=O)CCC(C)C3,0
+Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(Cl)c4)cn3CCN3CCCC3)CC2)c1Br,1
+Cc1ccnc(Nc2[nH+]cnc(Nc3ncc(C(F)(F)F)cc3Cl)c2N)c1,0
+CSC1=C2Nc3ccccc3C[NH+]2C(C(=O)N(O)CC(C)C)C1,0
+CCCCSC1(SCCCC)[NH+]=C(N)C2(C#N)C(c3ccccc3)[NH2+]C3=C(CCCC3)C12C#N,0
+Cc1ccccc1OC1CC2(CCC1[NH3+])OCCO2,0
+C[NH+](C)CCNc1nc(-c2cccc(F)c2F)c2c(N)n(C(C)(C)C)nc2n1,0
+Cc1ccc(C(CNC(=O)NNC(=O)Nc2ccccc2C)[NH+]2CCCC2)cc1,0
+Cc1c(C(=O)Sc2nc3ccccc3s2)oc2c1C(=NNC(N)=[NH2+])CC(C)(C)C2,0
+COc1cc(NC(=S)N(Cc2ccccc2F)C2CC(C)(C)[NH2+]C(C)(C)C2)cc(OC)c1,0
+[NH3+]CC(=O)N=c1[nH]c(-c2ccc(-c3ccccc3)cc2)cs1,0
+Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2C)c(O)c1CC(=O)NCc1ccc(N)[nH+]c1C,0
+O=C(CSC1[NH+]=c2ccc([N+](=O)[O-])cc2=[NH+]1)NCCOC12CC3CC(CC(C3)C1)C2,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)c2cc(Cl)cc(Cl)c2)CC12CC[NH2+]CC2,0
+Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N(C)c2nc3ccccc3s2)cc1,0
+O=C1COc2ccc(C(=O)COC(=O)C(CC3=c4ccccc4=[NH+]C3)NC(=O)c3ccc(F)cc3)cc2N1,0
+Cc1sc2nc(C[NH+]3CCCC3)nc(NCC(C3=c4ccccc4=[NH+]C3)c3cccs3)c2c1C,0
+CCOC(=O)c1c(NC(=O)C(C)[NH2+]C2CCCCCCC2)sc2c1CCC(C)C2,0
+O=C(c1ccc(C[NH+]2CCn3cccc3C2c2ccccc2Cl)o1)N1CCN(Cc2ccccc2)CC1,0
+Cc1c[nH]c2ncnc(N3CCC(N)(CNC(=O)c4ccc(F)cc4)C3)c12,1
+Cc1cccc(S(=O)(=O)NCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)c1,1
+CCNC(=O)NC1CCN(Cc2ccc(-c3nc4nc(SC)ncc4cc3-c3ccccc3)cc2)CC1,1
+O=C(Nc1ccc(Br)c(C(F)(F)F)c1)C1CC(O)C[NH2+]1,0
+CN(C)C(=O)c1ccc(NC(=O)CSCc2nc(N)nc(Nc3ccccc3)n2)cc1,0
+Cc1c[nH]c2ncnc(N3CCC(NS(=O)(=O)c4ccccc4)C3)c12,1
+O=C(NCC1CCCO1)c1cc2cc(C3(O)CC[NH+](CC4CCCCC4)CC3)ccc2o1,0
+[NH3+]CCc1ccc(Oc2ccc(O)cc2)c(I)c1,0
+CCOC(=O)C([NH3+])Cc1cc(OC)c(O)c(Br)c1Br,0
+Nc1cc(N)nc(SC2C(=NO)C3CCC2C3)n1,0
+Cc1ccc(Nc2nc(N)nc(CSc3nnc(-c4ccc(F)cc4)n3CC3CCCO3)n2)cc1,0
+C[NH2+]Cc1cn(CC2OC(CC(=O)NC(C)C)C(O)C2O)nn1,0
+CNC(=O)c1ccc2c(c1)OCn1c-2nc(-c2ccc(C3(N)CC(C)(O)C3)cc2)c1-c1ccccc1,1
+O=C([O-])C1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c2ccccc2O1,0
+O=C(c1cccc(=O)[nH]1)N1CCC2=C(C1)C(c1ccccc1)NN2,0
+NC(CCc1ccccc1)COc1cncc(C=Cc2ccncc2)c1,1
+Cc1nc2c(C(N)=O)ncn2c(C)c1CCC(=O)NCC[NH+]1CCCCC1C,0
+O=C(CCCNC(=O)N1CCC2=c3ccccc3=[NH+]C2C1)Nc1cccc(O)c1,0
+CC1Cc2c(O)cccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+Cc1ccccc1C(C)NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1,0
+C[NH+]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])o3)c2C(N)=O)C1,0
+CCC(C(=O)Nc1cc(C)on1)[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1,0
+Nc1cc(Cl)c(F)c(S(=O)(=O)NC2CC[NH+](C3CC3)C2)c1,0
+C[NH+](CCOc1ccc(C(N)=S)cc1)Cc1csc(Br)c1,0
+C[NH+]1CCc2c(sc3c2C(O)=NC(c2ccc(OC(=O)c4ccc(C(C)(C)C)cc4)cc2)N3)C1,0
+NC(=O)Cc1cccc(-c2cncc(OCC(N)Cc3c[nH]c4ccccc34)c2)c1,1
+CC1(C)CC(NC(=O)C(=O)NN=Cc2cc(Br)ccc2O)CC(C)(C)[NH2+]1,0
+COc1cc(CN(C(=S)NC2CC(C)(C)[NH2+]C(C)(C)C2)C(C)c2ccccc2)cc(OC)c1OC,0
+CCc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(NC4CCCCC4)nc(C)[nH+]3)cc2)cc1,0
+CCc1cccc2sc(N(CC[NH+](CC)CC)C(=O)C3CCCN3S(=O)(=O)c3ccc(C)cc3)nc12,0
+CC(C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1CC[NH+](CC(=O)Nc2ccccc2Cl)CC1,0
+Cc1nn(C)c(C)c1C(=O)OC(C)C(=O)NC(=O)NC1CC1,0
+[NH2+]=C1Cc2ncnn2C(N2N=C(c3ccc(Br)cc3)CC2(O)C(F)(F)F)=NN1,0
+CC(Sc1nnc(C(C)[NH+](C)C)n1-c1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl,0
+CC(=O)Nc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1,1
+CC(Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1)C(=O)NC(C)(C)C,0
+C=CCOc1ccccc1C1NC(=S)NC(C)=C1C(=O)Nc1cc(OC)c(Cl)cc1OC,0
+COc1ccc(N(CC(=O)NN=Cc2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)S(C)(=O)=O)cc1,0
+C=Cc1c(C)nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nn12,1
+CC[NH2+]C(C)c1ccc(N(CCO)C(CC)CC)c(Br)c1,0
+Cn1c(=O)oc2cc(S(=O)(=O)Oc3ccc(Br)cc3)ccc21,0
+COc1ccc(-[n+]2c(SCC(=O)Nc3ccc(C(C)C)cc3)nc3[nH]nc(C)c3c2N)cc1,0
+O=c1c(Oc2ccc(F)cc2)coc2cc(OC3OC(CO)C(O)C(O)C3O)ccc12,0
+Cn1nccc1-c1ccc(C(=O)NC2CNCCC2c2ccc(F)c(F)c2)cc1,1
+COc1cccc(C(=O)N2CCN(c3ccc(NC(=O)Nc4ccc(C(C)C)cc4)c[nH+]3)CC2)c1,0
+CCn1c(-c2nonc2N)nc2c(C#CCCO)ncc(OCCCN)c21,1
+O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)C1CCCCN1S(=O)(=O)c1ccc(Cl)s1,0
+Cc1nn(C)c(C)c1C(C)Nc1cc(Cl)nc(N)n1,0
+CC([NH2+]Cc1ccc(OC(F)F)c(Cl)c1)c1ccc2c(c1)NC(=O)CO2,0
+Cc1n[nH]c2ccc(-c3cc(OCC(N)Cc4ccccc4)cnc3-c3ccsc3)cc12,1
+Nc1cc(Br)ccc1S(=O)(=O)NCC1CC[NH+](C2CC2)C1,0
+[NH3+]CCCCCCC(=O)Nc1c(Cl)cc(Br)cc1Cl,0
+CC(C)Oc1ccc(C[NH2+]CC(=O)Nc2ccc(C(=O)NCc3ccco3)cc2)cc1,0
+CCOC(=O)N1CC[NH+](C2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1,0
+O=C(CCc1nc2ccccc2s1)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1,0
+CCOC(=O)c1c(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)sc(C(N)=O)c1C,0
+CCc1cc(C(Nc2cc(C)cc[nH+]2)c2ccccc2OC)c(NC(=O)c2ccco2)s1,0
+Cc1ccc(S(=O)(=O)CNC(=O)C(c2cccc(O)c2)N(C(=O)c2cccc(O)c2O)C(C)(C)C)cc1,0
+C[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)s2)(C(N)=NO)CC1,0
+[NH3+]C1CCCN1S(=O)(=O)c1ccc(F)c(F)c1,0
+Cl.Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(C2(N)CCC2)cc1,1
+CC(C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCN(c2ccc(O)cc2)CC1,0
+C[NH+](CCc1nc2cc(N)ccc2[nH]1)Cc1csc(Br)c1,0
+NC(=O)C1CCC([NH2+]CC(=O)Nc2ccccc2Br)CC1,0
+CC(=O)Nc1cc(NC(=O)NCC[NH+]2CC(C)CC(C)C2)c(F)cc1F,0
+CCc1ccc(NC(=O)CSc2nc3n[nH]c(C)c3c(=[NH2+])n2-c2ccccc2C)cc1,0
+CC(OCC1CCOC1)C(=O)Nc1c(Cl)cc(N)cc1Cl,0
+COC(=O)c1ccc(Oc2c(C(F)(F)F)oc3c(C[NH+]4CC(C)CC(C)C4)c(O)ccc3c2=O)cc1,0
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,1
+CC(C)CC([NH3+])C(=O)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1,0
+O=S(=O)(Nc1ccccc1F)c1ccc2c(c1)Cc1cc(S(=O)(=O)Nc3ccccc3F)ccc1-2,0
+NS(=O)(=O)c1ccc(NNC(=S)NCC[NH+]2CCOCC2)c([N+](=O)[O-])c1,0
+CN(CC1CC1)S(=O)(=O)c1c(Cl)cc(C#CC[NH3+])cc1Cl,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2c(OC(F)F)cccc21,1
+CCCC(C)NC(=O)C1CCCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1,0
+O=C(c1nn(-c2ccc(F)cc2)c2c1CCC2)N1CCCC1c1ccc2c(c1)OCCO2,0
+CC1CN(C(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c2ccccc21,1
+COc1ccc(C(=O)N=C(NCCC2=c3ccccc3=[NH+]C2)Nc2cccc(C)c2C)cc1,0
+S=P1(NCc2ccccc2)Nc2[nH+]c3n(c2C(NCc2ccccc2)=[NH+]1)CCC3,0
+Nc1c2c(-c3ccccc3F)nc(NCc3ccccn3)nc2[nH+]n1Cc1ccccc1,0
+CC(C(=O)Nc1ccccc1Cl)[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1,0
+CC(CN(C)S(=O)(=O)c1cccc(Br)c1)C(N)=S,0
+Cc1n[nH]c(=O)c2c(NC(=O)C[NH+]3C(C)CCCC3C)oc(C)c12,0
+O=C(CC1C(=O)NCC[NH+]1Cc1ccc(F)c(F)c1)NCCc1ccc(O)cc1,0
+C[NH+](C)Cc1ccccc1CNC(=O)NCC(=O)Nc1ccc(Cl)cc1,0
+Cc1cc(C(=O)N2CC(C(=O)NC(C)CCCC(C)(C)O)C3(CC[NH2+]CC3)C2)nn1C,0
+CCC[NH+](CC(=O)NC)CC(=O)NC(=O)NC1CCCCC1C,0
+Cc1c(C(=O)NN2C(=O)NC(C)(c3ccccc3)C2=O)oc2ccccc12,0
+Cc1ccc(N)c(S(=O)(=O)NC(C)C[NH+]2CCCC2)c1C,0
+CCOc1cc(C=NNC(=O)COc2ccc(-c3ccccc3)cc2)cc(I)c1O,0
+NC(=O)C1Cc2ccccc2C[NH+]1CC(=O)N1N=C(c2ccc(Cl)cc2)CC1c1ccco1,0
+CC1Cc2c(F)cccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)n1C,1
+NS(=O)(=O)c1ccc([NH+]=c2oc3cc(O)ccc3cc2C(=O)Nc2ccc(-c3ccccc3)cc2)cc1,0
+Cc1ccc2nc3c(n2c1)C(c1cccc(-n2cccn2)c1)CC(=O)NC3,0
+CN(C)CCCC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,1
+CNc1c(-c2ccccc2)c(-c2ccc(CN3CC(c4n[nH]c(-c5ccccn5)n4)C3)cc2)nc2nccn12,1
+CCOc1ccc(C(=O)N2CC(C(=O)NC(C(=O)NC(C)(C)C)C(C)C)C3(CC[NH2+]CC3)C2)cc1,0
+CCCCC[NH+](C)C(C)C(=O)Nc1c(N)cc(Cl)cc1Cl,0
+O=C1CC2OCC3=C(C(=O)c4ccccc4C3=O)C2O1,1
+O=C(Cc1ccccc1)Nc1ccc(C2[N-]C3=CC(=[NH+]C(=O)Cc4ccccc4)C=CC3=[NH+]2)cc1,0
+Nc1ncnc(N2CCC(c3nc(-c4ccc(C(F)(F)F)c(F)c4)cn3CCN3CCCC3)CC2)c1Cl,1
+NCC(NC(=O)c1cc(-c2cn[nH]c2)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1,1
+CC(Nc1cc[nH+]c(C(N)=S)c1)c1ccc(Br)cc1,0
+CC1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2c[nH]ccc2=O)C1=O,0
+CCCC[NH+]1Cc2cccc(NC(C)C(=O)Nc3c(CC)cccc3CC)c2C1,0
+Nc1c(Nc2cc[nH+]cc2)ncnc1Oc1ccc(Br)c2cccnc12,0
+CC(C)[NH+](CCNc1cc(Cl)ccc1C(N)=S)C(C)C,0
+NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,1
+COc1ccccc1NC(=O)c1ccc(NC(=O)C(C)[NH2+]C(C)C(C)C)cc1,0
+COc1ccc(-n2cc(C[NH2+]C(CO)CO)c(-c3ccccc3Cl)n2)cc1,0
+Nc1ncnc2nc(-c3ccc(CN4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)c(-c3ccccc3)cc12,1
+CC(C)C(CNC(=O)C1C[NH2+]CCO1)N1CC[NH+](C)CC1,0
+CC1SCc2ncnc(N3CCN(C(=O)C(Cc4ccc(Cl)c(F)c4)CC(C)(C)N)CC3)c21,1
+COc1cccc(C(C)=NNC(=O)CCCSc2nnc(-c3ccc(Br)cc3)n2N)c1,0
+CC(C)CNC(=O)NC(=O)C(C)Nc1ccc([NH+]2CCCCC2)cc1,0
+CCC([NH3+])C(Oc1ccccc1I)c1ccc(Cl)s1,0
+CCc1nn(-c2ccc(F)cc2)c(N2CC[NH+](C)CC2)c1C[NH+](CCc1ccccc1)C(C)CC,0
+COc1ccc(C(C)[NH2+]C(C)c2cccc(Br)c2)c(O)c1,0
+COc1ccc(C(C[NH2+]CC(O)COc2ccc(Br)cc2)C2=c3ccccc3=[NH+]C2)cc1,0
+CCc1c(N)ncnc1N1CCC(c2nc(-c3cncc(C(F)(F)F)c3)cn2CCN2CCC2)CC1,1
+COc1c(Cl)cccc1NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1,0
+CC(C)C(CNC(=O)C1CCC2(CC1)NC(=O)NC2=O)[NH+]1CCCCCC1,0
+Cc1c(Cl)ccc2sc(N(CCC[NH+](C)C)C(=O)Cc3ccc(S(=O)(=O)C(C)C)cc3)nc12,0
+CC(=O)OCC(O)C1(O)CCC2C3CCC4CC(O)CCC4(C)C3C(O)CC21C,0
+O=C1NCCCC1[NH2+]C1CCOc2ccc(Br)cc21,0
+Cn1c(N2CCc3c(sc(N)c3C#N)C2)c(C#N)c(=O)n(C)c1=O,0
+COc1ccc(Cl)cc1NC(=[NH2+])Nc1nc(CSc2nnnn2-c2ccccc2)cc(=O)[nH]1,0
+Cn1ncc(Cl)c1-c1ccc(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CCNCC2)cc1,1
+O=c1nc2sc(=Cc3ccccc3)c(=O)n2nc1-c1ccccc1,0
+CC(NC(=O)CN1C(=O)NC(CC2=c3ccccc3=[NH+]C2)C1=O)c1ccc(-c2ccccc2)cc1,0
+CN(C)CCC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,1
+[NH2+]=c1oc2ccc3ccccc3c2cc1C(=O)Nc1cc(Cl)ccc1Cl,0
+Cc1ccccc1NC(=S)NCc1ccc2c(c1)=C1CCCCC1[NH+]=2,0
+COc1cc(S(=O)(=O)NCCC2=c3cc(Br)ccc3=[NH+]C2C)c(OC)cc1Cl,0
+Nc1ccc(-c2nnc3n2-c2ccccc2Nc2ccccc2-3)cc1,1
+Cc1cc(Cl)c2c(c1)C1([NH2+]C(C(C)O)C3C(=O)N(CCc4ccccc4)C(=O)C31)C(=O)N2,0
+Cc1cc(Cl)c(C)c(S(=O)(=O)NCCC[NH2+]C2CC2)c1Cl,0
+NC(=O)CSc1ccccc1NC(=O)C[NH+]1CCCC2CCCCC21,0
+CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(C(N)=O)cc1,0
+CCCN(C(=O)c1c(O)cccc1O)C(C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1C,0
+CCOc1c(Br)cc(C[NH2+]CCNCCO)cc1Br,0
+CC(c1nnc(SCC(=O)NC2CCCc3ccccc32)n1-c1ccc(F)cc1)[NH+]1CCCCC1,0
+NC(=O)Cc1ccccc1NC(=O)N1CCC[NH+](CC2CCCCC2)CC1,0
+O=C1NCC(CCC(=O)N2CCCC2)[NH+]2CC(NC(=S)Nc3ccc(Cl)cc3)CC12,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1ccsc1,1
+NC(=S)c1cc2ccc(O)cc2oc1=[NH+]c1cccc(Cl)c1,0
+O=C(Cn1c(NCCO)[nH+]c2ccccc21)NC1CCCc2ccccc21,0
+CC(C)C(Sc1nnc(C(C)[NH+]2CCCCC2)n1-c1ccc(F)cc1)C(=O)NC(N)=O,0
+CCCC(NC(N)=O)C(=O)NCC(c1ccc(OC)cc1)[NH+]1CCCCC1,0
+NC(N)=[NH+]CCCC(NC(=O)OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1,0
+NC(=S)c1c[nH+]c2ccccc2c1NCCC1CCCO1,0
+CC1CC(C)C[NH+](CC(C)NC(=O)NNC(=O)COc2ccc(C#N)cc2)C1,0
+COc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCC4)n3)cc2)c(C)c1C,0
+CC(C)(C)c1ccc(CC2(N)CCN(c3ccnc4[nH]ncc34)CC2)cc1,1
+O=c1ccn(-c2ccc(Cl)cc2)nc1-c1nc(-c2cccc(Br)c2)no1,0
+CC1(C)C(=O)Nc2c(F)cc(C([NH3+])C3CCCO3)cc21,0
+CCCCC1(C(=O)OCC)NC(c2ccc(O)cc2)C2C(=O)N(c3ccccc3)C(=O)C21,0
+CCOC1C[NH+](C(CNc2ccccc2O)c2ccc(S(=O)(=O)C(C)C)cc2)CCN1,0
+Cc1cc(C)c2nc(NCCNC(=S)NCCC[NH+](C)C)c(C#N)cc2c1,0
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CNCCc4nc[nH]n4)cc3)nc2n1,1
+Cc1cc(Br)c(NC(=O)C2CC(O)C[NH2+]2)c(Br)c1,0
+NS(=O)(=O)c1ccc(NC(=O)C[NH+]2CCCC2C2CCCCC2)cc1,0
+C1CCc2sc(C[NH+](CC3CC[NH+](C4CCCC4)CC3)CC3CCCO3)nc2C1,0
+CC[NH+]1CCc2c(sc(-n3cccc3)c2C(C)NC(=O)Nc2ccc(C)c(C)c2)C1,0
+Cc1ccc(S(=O)(=O)Oc2ccc(-c3[nH+]c4ccccn4c3NC(C)(C)CC(C)(C)C)cc2)cc1,0
+C=CCN1C(=O)NC(c2ccccc2Cl)C(C(=O)OCC)=C1CN1CCN(C(=O)C2CCCC2)CC1,0
+CC[NH+](CC)CCN(C(=O)C1CCCN1S(=O)(=O)c1ccc(OC)cc1)c1nc2ccccc2s1,0
+COc1ccccc1NC(=S)N(CCC1=c2cc(C)ccc2=[NH+]C1C)Cc1ccco1,0
+C[NH+](CCO)Cc1c(-c2ccc(Br)cc2)nc2ccc(N)cn12,0
+CCc1ccc(C(=O)N2CC(C(=O)NC(C)CCCC(C)(C)O)C3(CC[NH2+]CC3)C2)cc1,0
+Cc1sc2ncn(CC(=O)N3C(C)CCCC3C)c(=O)c2c1C,0
+O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1,0
+COc1ccc(Cl)c(NC(=S)N(Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1,0
+CC1[NH+]=c2ccc(Cl)cc2=C1CCNC(=S)Nc1ccccc1,0
+Cn1ncc(Cl)c1-c1ccc(C(=O)NC2CNCCC2c2ccc(F)c(F)c2)cc1,1
+COc1ncc(-c2cc3c(C)nc(N)nc3n(C3CCC(OCC(N)=O)CC3)c2=O)cc1F,1
+C[NH+](CC(=O)Nc1cccc(S(=O)(=O)N=C2CCCN2)c1)CC(=O)Nc1ccccc1Br,0
+CCc1c(-c2cc(C)ccc2C)nc2ccc(NC(=O)CC[NH3+])cn12,0
+CCOC(=O)C=C(C)N[NH+]=c1cc(-c2ccccc2)c2cc3c(-c4ccccc4)coc3c(C)c2o1,0
+O=C(C[NH+]1CCN(CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1)NC1CC1,0
+C[NH+](C)CCCNC(=O)C(=O)Nc1c(C(N)=O)oc2ccccc12,0
+COc1ccc2c(=O)c(-c3cc(O)c(O)c(O)c3)coc2c1,0
+CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)NC(C)C)cc2)cc1Br,0
+CC(Cn1cc[nH+]c1)NC(=O)NC(C)c1cccc(NC(=O)c2ccccc2)c1,0
+CC(C)(C)OC(=O)N1CCC(C(=O)NC2CCCc3[nH]c(=O)c(C(N)=O)cc32)CC1,0
+COc1ccccc1C1(O)CC[NH+](CC(O)c2ccc3c(c2)CCCC3)CC1,0
+O=C(C=Cc1ccccc1Cl)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1,0
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CNCCC(=O)c4ccccc4N)cc3)nc2n1,1
+O=S(=O)(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccc(Cl)cc1,1
+CC(CCc1ccc(OC(C)C)cc1)[NH2+]C(C(N)=O)c1ccc(F)cc1,0
+CCCCC(C)C(=O)N1CC(C(=O)NC(C)c2c(C)n[nH]c2C)C2(CC[NH2+]CC2)C1,0
+CCn1c(-c2nonc2N)nc2cncc(C(=O)NC3CCCNC3)c21,1
+CC[NH+]1CCc2c(sc(NC(=O)Cc3ccc(S(=O)(=O)C(C)C)cc3)c2C(N)=O)C1,0
+CC[NH+](CCc1ccncc1)CCC(O)c1ccc(F)c(N)c1,0
+Cc1ccc(S(=O)(=O)N=C2[NH+]=c3ccccc3=[NH+]C2Nc2ccc(Cl)c(Cl)c2)cc1C,0
+[N-]=[N+]=[NH+]C(CCl)c1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O,0
+CC[NH+](CC)CC(C)Nc1ccc(Cl)cc1C(N)=S,0
+Nc1ccc(NC(=O)C[NH+]2CCCSCC2)c(Br)c1,0
+CCC[NH2+]C(C)(CCCCn1nc(C)c(Br)c1C)C(N)=O,0
+CC([NH2+]CCOc1ccccc1F)C(=O)NC(c1ccccc1)c1ccccc1,0
+CC(C)C(NC(=O)C1CN(C(=O)c2cccc(Cl)c2F)CC12CC[NH2+]CC2)C(=O)NC(C)(C)C,0
+COCCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCCC3)cc1Br,0
+CC1(C2CCC3C4CCC5CC6(CC(=NO)C5(C)C4C(O)CC32C)OCCO6)OCCO1,0
+Cc1nc(CSCC(=O)NC2(CO)CCCC(C)C2)cs1,0
+CC(=O)[NH+]=c1ccc2c(CN3CCN(C(=O)Cc4ccc(F)cc4)CC3)cc(O)oc-2c1,0
+CC(NC(=O)c1cccc(-c2ccc3c(c2)C(O)CC2(CC[NH+](C)CC2)O3)c1)c1ccccc1,0
+C[NH2+]CC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,0
+COc1cccc(NC(=S)N(Cc2ccccc2C)C2CC(C)(C)[NH2+]C(C)(C)C2)c1,0
+Cc1c(C(=O)NC23CC4CC(CC(C4)C2)C3)oc2c(Cl)cc(Cl)cc2c1=[NH+]NC(N)=O,0
+NS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1,0
+NCC(NC(=O)c1ccc(-c2c[nH]c3ncccc23)s1)c1ccccc1,1
+O=C(NCCNc1ccccc1)C1CN(C(=O)C2CCOCC2)CC12CC[NH2+]CC2,0
+NC1(c2ccc(-c3nc4c(Cl)cccn4c3-c3ccccc3)cc2)CCC1,1
+CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C)c3)cn2CCN2CCCC2)CC1,1
+C[NH+]1CCCC(CNS(=O)(=O)c2cc(Cl)ccc2N)C1,0
+COc1cc2ncc3c(N)nc(-c4cncc(OCC(N)Cc5ccccc5)c4)cc3c2cc1OC,1
+CC(C)Nc1c(-c2ccccc2)c(-c2ccc(CN3CC(c4n[nH]c(-c5ccccn5)n4)C3)cc2)nc2nc(-c3ccccn3)nn12,1
+O=C1CC2OC(c3ccc(O)cc3)C3=C(C(=O)c4ccccc4C3=O)C2O1,1
+O=C([O-])CNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)=[NH+]C(=O)[NH+]=3)cc1,0
+Nc1ccc2c(c1)C(=O)N(c1ccc(N3C(=O)c4ccc(N)cc4C3=O)cc1)C2=O,0
+CC1=C(C(=O)OCc2ccccc2)C(c2ccc(O)cc2)n2nc(SCc3ccccc3F)nc2N1,0
+COc1ccc(C2CC(c3ccccc3)=NN2C(=O)C[NH+]2Cc3ccccc3CC2C(N)=O)cc1,0
+CC(NC(=O)Nc1ccc(N2CCCCC2)[nH+]c1)C(=O)NCc1ccco1,0
+CC(C)c1ccc(N2C(=O)N=C(O)C(C=[NH+]C3C(O)OC(CO)C(O)C3O)C2=O)cc1,0
+O=C(CNC(=O)NCC(c1ccco1)[NH+]1CCCCC1)Nc1ccc(Cl)cc1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1ccccc1OCCN1CCCC1,1
+CC(C)[NH+]1CCC(CNC(=O)NNC(=O)c2cc(Br)c[nH]2)C1,0
+O=C(NCC(C1=c2ccccc2=[NH+]C1)c1ccccc1Cl)C1CCCN(C(=O)c2ccco2)C1,0
+CCOc1cccc2cc(C(N)=O)c(=[NH+]c3sc4c(c3C(N)=O)CCCC4)oc12,0
+COc1ccc(C(C)[NH2+]C(C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1F,0
+Cc1ccc(N2N[NH2+]NC2SCC(=O)NC(CC2=c3ccccc3=[NH+]C2)C(=O)[O-])cc1C,0
+CCOC(=O)C1=C(C[NH+](CC)CC(=O)Nc2cc(Cl)ccc2C)NC(=O)NC1c1ccco1,0
+N#CC(=Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)NCC[NH+]1CCCCC1,0
+C=CC[NH+](CC=C)C(CNC(=O)Nc1cc(C(=O)NC)ccc1Cl)C(C)C,0
+CC[NH+](CC(=O)Nc1ccccc1C(N)=O)Cc1ccc(Br)s1,0
+COc1cccc(C[NH+]2CCC3(CC2)CC3C(=O)NCC2(c3ccccc3)CCCC2)c1OC,0
+O=C1N=[NH+]C(C(=O)NNC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)c2ccccc21,0
+O=C(NNC(=O)C1C=c2ccccc2=[NH+]1)c1cc2ccccc2[nH]1,0
+CC[NH+]1CC(=Cc2ccc(OC)cc2)C2=C(C1)C(c1ccc(OC)cc1)C(C#N)=C(N)O2,0
+COc1ccc2[nH]c3c(c2c1)CC[NH2+]C3c1c(O)n(-c2ccccc2)c(=O)n(-c2ccccc2)c1=O,0
+CCCc1ccc(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NCc2ccc(C)cc2)cc1,0
+Cc1ccc(-n2c(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)nnc2-c2ccco2)cc1,0
+C[NH+](CC(=O)Nc1sccc1C(N)=O)C1CCc2ccccc21,0
+CC1CCCCC1NC(=S)NC1CC(C)(C)[NH2+]C(C)(C)C1,0
+NC(=O)c1ccc(NC2CNCCC2c2ccc(F)cc2)c2cncnc12,1
+CCC(C)c1ccccc1NC(=O)Cc1csc(-c2cccc(CN3CC[NH+](C)CC3)c2)n1,0
+NCC1(c2ccc(Cl)c(Cl)c2)CCN(c2cc(N)ncn2)CC1,1
+Cc1ccc(OCC(O)C[NH2+]C2CCC(C)CC2)c(Br)c1,0
+CCCC1OC2CC(=O)OC2C2=C1C(=O)c1ccccc1C2=O,1
+Cc1ccc(N)c(C)c1S(=O)(=O)Nc1ccc(=O)n(C)c1,0
+NC(COc1cncc(-c2ccc3nnccc3c2)c1)Cc1c[nH]c2ccccc12,1
+CC1CCC[NH+](C(C)CNC(=O)NCc2cccc(S(N)(=O)=O)c2)C1,0
+COc1cc(Br)cc(C2N=C(O)c3c(sc4c3CC[NH+](C(C)C)C4)N2)c1O,0
+CCc1ccc(NC(=S)NCC2(C)CC(NC(=S)Nc3ccc(CC)cc3)CC(C)(C)C2)cc1,0
+CCC[NH+](CCO)CC(=O)Nc1cc(N)c(C#N)c(OCC)n1,0
+CC(C)(C)c1ccc(C2NNC(=S)N2N=CC2=c3ccccc3=[NH+]C2)cc1,0
+CC(c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC(=O)Nc1ccc(F)cc1Cl,0
+CC(C(=O)NC(=O)NC1CCCCC1)N1CC[NH+](CC(=O)NC2CC2)CC1,0
+COc1ccccc1N1CC[NH+](C(C)C(=O)Nc2ccc(Br)cc2Br)CC1,0
+CCc1cnn(C)c1-c1ccc(C(=O)NC2CNCCC2c2cccc(F)c2)s1.Cl,1
+Cc1c[nH]c2ncnc(N3CCN(C(=O)C(N)Cc4ccc(F)cc4)CC3)c12,1
+Cc1ccc2cccc(Oc3ncnc(NC4CC(C)(C)[NH2+]C(C)(C)C4)c3N)c2n1,0
+Cn1cc(-c2ccn3c(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nc3c2)cn1,1
+CN(Cc1csc(Br)c1)Cc1cccnc1C(N)=[NH2+],0
+CC1(C)Cc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)c2C(N)=O)C(C)(C)[NH2+]1,0
+COc1cc(C[NH2+]Cc2ccccc2C)ccc1OCC(O)c1ccc(C)c(C)c1,0
+CCNC(=O)NC1CCN(Cc2ccc(-c3nc4nc(SC)ncc4cc3-c3ccccc3)cc2)CC1,1
+O=C1CC(CSC2N[NH2+]NN2c2ccccc2)=NN1c1ccc(Cl)cc1,0
+CC(C)(O)C#Cc1ccc(CN2CC[NH+](CC(C)(C)C)C(CCO)C2)cc1,0
+CCC(C)C(NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)NC1[NH+]=c2ccccc2=[NH+]1,0
+CCCCSc1nc2ccc(NC(=O)CSc3nnc(-c4ccccc4O)n3N)cc2s1,0
+CC(=O)NCC1CCC[NH+](C(C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)C1,0
+CC1(C)CC(Nc2ncnc(NC34CC5CC(CC(C5)C3)C4)c2N)CC(C)(C)[NH2+]1,0
+N#Cc1ccccc1COc1cccc(C2NC(=[NH2+])Nc3nc4ccccc4n32)c1,0
+O=C(C[NH+]1CCN(Cc2coc(-c3ccc(Cl)cc3)n2)CC1)Nc1ccccc1C(F)(F)F,0
+Cc1c(NC(=O)NCC(O)C[NH+]2CCC(C)CC2)cccc1OC1CCCC1,0
+NC(Cc1ccccc1Cl)C(=O)N1CCN(c2ncnc3ccccc23)CC1,1
+O=C(COc1ccc(OCC(=O)NN=CC2=c3ccccc3=[NH+]C2)cc1)NN=CC1=c2ccccc2=[NH+]C1,0
+NC(=O)c1ccc(Nc2cc[nH+]c3ccc(Br)cc23)cc1,0
+COC(=O)Nc1cc(NCc2cc(=O)n3ccsc3[nH+]2)ccc1F,0
+CCCCN(CCO)c1cc(Br)ccc1C[NH3+],0
+C[NH+]1CCN(c2nc(N)c([N+](=O)[O-])c(Nc3cccc4cccnc34)n2)CC1,0
+O=C(NCc1cc2ccccc2[nH]1)C1CN(C(=O)c2ccc3ccccc3c2)CC12CC[NH2+]CC2,0
+CCCCCCCCCCCCc1ccc(S(=O)(=O)Nc2nncs2)cc1,1
+Nc1ncnc2nc(-c3ccc(CN4CCC(n5ncc6c(N)ncnc65)CC4)cc3)c(-c3ccccc3)cc12,1
+CCOC(=O)C[NH+]1C(c2ccccc2F)Nc2ccc(Br)cc2C1c1ccccc1,0
+O=C(CCC1CNC(=O)C2CC(NS(=O)(=O)c3ccc(F)cc3)C[NH+]12)NCc1ccc(F)cc1,0
+CC(C)([NH3+])C(=O)NC(CCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1,0
+CS(=O)(=O)c1ccc(N2Cc3cc(Cl)ccc3OCC2=O)cc1,0
+CC[NH+](CC(O)COC(c1ccc(F)cc1)c1ccc(F)cc1)CC(O)c1cccc(O)c1,0
+CC(=O)NCc1ccc(-n2c(-c3cccnc3N)nc3cccnc32)cc1,1
+CC1CC[NH+](CC(O)CNC(=O)Nc2ccc(Br)cc2F)CC1,0
+CCN1C(=O)C(C)(C(=O)N2CCc3ccccc3C2)Oc2ccccc21,0
+O=c1c(C2[NH2+]CCc3ccccc32)c(O)nc(S)n1-c1ccc(Cl)cc1,0
+CCC([NH3+])C(OCC(F)(F)C(F)F)c1cc(Br)cs1,0
+CCS(=O)(=O)N1CCC([NH2+]CC2CNc3ccnn3C2)CC1,0
+Cc1[nH]n(-c2ccccc2)c(=O)c1C1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2CCc1ccccc1,0
+CC(=O)OCc1cnc(C)c2oc(=[NH+]c3ccc(F)c(Cl)c3)c(C(=O)Nc3ccccc3Cl)cc12,0
+Clc1ccc(C(NCc2ccccc2)c2ccc(-c3ccncc3)cc2)cc1,1
+CC(SC1NN=C(C2=c3ccccc3=[NH+]C2)N1c1ccc(Cl)cc1)C(=O)NC(N)=O,0
+CCC(C)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(Br)cc3)n2)cc1,0
+CC(C)c1nccn1C(c1cc(Br)cs1)C(C)[NH3+],0
+COc1ccc(C(C)[NH2+]C(C)c2ccccc2Br)c(O)c1,0
+NC(=O)c1ccsc1NC(=O)CSc1nc(-c2ccc(Br)cc2)c[nH]1,0
+CCn1cnc2cnc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)c21,1
+Cc1nc(C)c(S(=O)(=O)NC2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)s1,1
+CC([NH2+]Cc1cn(CCC(N)=O)c2ccccc12)c1ccccc1-n1cccn1,0
+CC(C)(C)C1CCc2c(sc(NC(=S)NC(=O)c3ccccc3[N+](=O)[O-])c2C(N)=O)C1,0
+CCCCC(NC1=NS(=O)(=O)c2ccccc21)C(=O)NC(C)C[NH+]1CC(C)CC(C)C1,0
+COC(=O)C1(Cc2ccc(O)cc2)[NH2+]C(c2ccccc2OC)C2C(=O)N(c3ccccc3)C(=O)C21,0
+CC([NH2+]CC(=O)N1c2ccccc2OCC1c1ccccc1)c1ccc(S(N)(=O)=O)cc1,0
+CC([NH2+]C(C)c1ccc(Br)s1)c1ccc(S(N)(=O)=O)cc1,0
+CC(C)[NH+]1CCc2c(sc(NC(=O)Cc3cccs3)c2C(N)=O)C1,0
+CCC([NH3+])C(c1ccc(Br)s1)N(C)Cc1ccco1,0
+Cc1cccc(NC(=O)Nc2ccc(-c3cccc4[nH]ncc34)cc2)c1,1
+O=C(CNC(=O)NCC[NH+]1CCc2sccc2C1)Nc1ccc(Cl)cc1,0
+CSc1nc2nc(-c3ccc(CN4CC(c5n[nH]c(-c6cccc(C)n6)n5)C4)cc3)c(-c3ccccc3)cn2n1,1
+CCC(C)[NH2+]C(C)(C(N)=O)c1ccccc1Br,0
+COc1ccc(C2(C(=O)N3CCN(c4ncnc5[nH]cc(Br)c45)CC3)CCNCC2)cc1,1
+C=CCNC(=O)Nc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1,0
+O=C(Nc1ccc(Cl)c(Cl)c1)C1CCCC[NH+]1CC(=O)N1CCc2sccc2C1,0
+CC(Cc1ccc(F)cc1)NC(=O)C1CN(C(=O)CCc2ccccc2)CC12CC[NH2+]CC2,0
+C=CCNC(=S)N1CC[NH+](C2c3cccc4cccc(c34)C2NS(=O)(=O)c2ccc(Cl)cc2)CC1,0
+Cc1cc(C)c(NC(=O)C[NH+](C)C(C)C(=O)Nc2ccc(C(N)=O)cc2)c(C)c1,0
+N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccnc(C4CC4)c3)cn2CCN2CCC2)CC1,1
+CCOc1ccccc1NC(=O)C([NH2+]CCc1cccs1)c1ccccc1,0
+CCOc1ccccc1C(C[NH3+])Nc1cccc(Cl)c1C,0
+COc1ccc(S(=O)(=O)Nc2cncc(-c3ccc4nc(NC(C)=O)sc4c3)n2)cc1,1
+O=P([O-])([O-])C[NH+](CCN(CCO)CP(=O)([O-])O)CP(=O)([O-])O,0
+OCC([NH2+]CC1CCCO1)c1ccc(F)c(Br)c1,0
+NCC(NC(=O)c1cc(-c2ccccc2)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1,1
+C[NH+]1CCC([NH2+]CC2OC(CO)C(O)C2N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1,0
+C[NH+](C)CCNC(=O)CC1c2[nH]c(=NC(=O)c3cccs3)sc2CC2C(C)(CO)C(O)CCC12C,0
+CCCC(C)([NH3+])C(=O)Nc1c(C)cc(Br)cc1OC,0
+CCC([NH3+])C(c1cccc(Br)c1)N1CCC(CO)CC1,0
+Cc1nnc(SCCCNc2nc(CC[NH3+])nc3sc(C)c(C)c23)s1,0
+O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1Cl,0
+COc1cccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)c1O,0
+Cc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(Br)s3)C2)c(O)c1,0
+CC(C)CC(C(=O)NC(C)CCc1ccccc1)N1C(=O)N2CCC3=c4ccccc4=[NH+]C3C2(C)C1=O,0
+CC(=O)OC1CCC2(C)C(CCC3C2CC2(OCCO2)C2(C)C(C(C)=O)CCC32)C1,0
+Cc1n[nH]c2ccc(-c3nnc(NCC(N)Cc4ccc(F)c(F)c4)s3)cc12,1
+CC(C)(C)c1ccc(-n2c(-c3cccnc3N)nc3cccnc32)cc1,1
+CC[NH+]1CCCC1CNC(=O)c1c2n(c(C)cc1=O)-c1ccccc1SC(c1cccs1)C2,0
+CC(NC(=O)C1NC(CC2=c3ccccc3=[NH+]C2)NO1)c1ccccc1,0
+COc1cccc(C(CNc2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2Cl)[NH+](C)C)c1,0
+COc1ccccc1C(CNC(=S)NCCc1ccccc1)[NH+]1CCCC1,0
+CC(c1nnc(SCC(=O)Nc2sccc2C(N)=O)n1-c1ccc(Cl)cc1)[NH+](C)C,0
+CC(C)CC[NH+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)CC(C)O,0
+COc1cc(Cl)ccc1NC(=S)N(Cc1ccc(C)o1)C1CC(C)(C)[NH2+]C(C)(C)C1,0
+CCOC(=O)c1cncc(-c2cnc3cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nn23)c1,1
+O=C(c1csc(Nc2ccc(OC(F)(F)F)cc2)n1)N1CC[NH+](CCc2ccccc2)CC1,0
+Cc1cc(C(=O)C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)c(C)n1C(C)(C)C,0
+CNC(=S)NNC(=O)C1=NOC(CNc2[nH+]cc(C(F)(F)F)cc2Cl)C1,0
+NC1(c2ccc(-c3nc4ccc(C(=O)NCC5CC5)cn4c3-c3ccccc3)cc2)CCC1,1
+CC(NC(=O)C[NH+]1CCCNCC1)c1ccc(Br)cc1,0
+CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccc(-c5cn[nH]c5)cc3-4)cc2)C1,1
+Cc1ccc(S(=O)(=O)CNC(=O)C(c2ccc(O)cc2)N(C(=O)c2c(O)cccc2O)C(C)(C)C)cc1,0
+CNc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(c5nnc(-c6ccccn6)[nH]5)CC4)cc3)nc2n1,1
+Cc1c(O)cc2c(c1C)OC(C)(CCCC(C)C)CC2,1
+O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccccc1F,1
+CN(Cc1[nH+]ccn1C)C1(C[NH3+])CCS(=O)(=O)C1,0
+CC([NH2+]C(c1ccc2c(c1)OCCO2)C(C)C)C(=O)Nc1ccc(Br)cc1F,0
+CCCCOc1ccc(C(=O)NC(=S)NNC(=O)C(C)Oc2ccc(C)c(C)c2)cc1Br,0
+CC([NH2+]Cc1cccc(S(N)(=O)=O)c1)c1ccc(Br)cc1,0
+CCC([NH3+])C(Sc1n[nH]c(=O)n1C(C)C)c1cc(Br)cs1,0
+CC([NH2+]Cc1ccc(I)o1)c1ccc(S(N)(=O)=O)cc1,0
+O=c1c2c3c(sc2ncn1CCCc1ccccc1)CC([NH2+]CC1(O)CCCCC1)CC3,0
+COCCOc1ccc(C(=O)NC(=S)Nc2sc(C)c(C)c2C(N)=O)cc1Br,0
+CCOc1cc(C[NH2+]C(CC)CO)cc(Cl)c1OCc1ccc(Cl)cc1,0
+CCC(CC)(NS(=O)(=O)c1cc(Cl)cc(Cl)c1)C(N)=NO,0
+Cc1c[nH]c2ncnc(N3CCN(C(=O)C(CN)Cc4ccc(Cl)cc4)CC3)c12,1
+CCc1ccc(NC(=O)C(NC(=O)C2Cc3ccccc3C[NH2+]2)C(C)CC)cc1,0
+COc1ccc(CN(CC2C=c3cccc(C)c3=[NH+]C2=O)S(=O)(=O)c2c(C)ccc3nsnc23)cc1,0
+COc1ccc(OC)c(-n2c(=O)[nH]c(O)c(C3[NH2+]CCc4c3[nH]c3ccc(OC)cc43)c2=O)c1,0
+CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC1c2ccccc2CC1O,0
+CCc1ccc(CCNC(=O)C2CN(C(=O)C3CC=CCC3)CC23CC[NH2+]CC3)cc1,0
+CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C(C(=O)NC(C)(C)CC(C)(C)C)c1c(Cl)cccc1Cl,0
+CC1CC(C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccc(CC(N)=O)cc2)C1,0
+CCOC1C[NH+](C(CNc2ccccc2O)c2ccc(S(=O)(=O)Oc3ccccc3)cc2)CCN1,0
+CNCCn1cc(-c2ccnc(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2C#N)CC1,1
+O=C(CNC(=O)C1COCCO1)NC1CCS(=O)(=O)C1,0
+NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2nc[nH]c3nccc2-3)CC1,1
+CCN(CC)S(=O)(=O)c1ccc(Nc2[nH+]cnc(NNc3ccccc3)c2N)cc1,0
+Nn1c(NN=Cc2cccc(Oc3ccccc3)c2)nnc1SCc1ccc(Cl)c(Cl)c1,0
+Cc1c(O)c(O)c(O)c(C=O)c1-c1cc2c(C=O)c(C)c(O)c(O)c2o1,1
+COC1C(NC(=O)COc2ccccc2)c2ccccc2C12CC[NH+](Cc1ccccc1O)CC2,0
+NC(NCCCC(c1ccc(F)cc1)c1ccccn1)=[NH+]CCCc1c[nH]cn1,0
+CC(N)C(c1cc(Br)cs1)[NH+](CCO)C(C)C,0
+CC(C)([NH3+])c1noc(CN2CCc3ccccc3C2)n1,0
+Cc1ccc(N2CC(=O)N(NC(=O)c3sc4[nH+]c(C)cc(C)c4c3N)CC2=O)cc1,0
+O=C(CNc1ccccc1[NH+]1CCC(O)CC1)Nc1ccc(Oc2ccccc2)cc1,0
+CC(Oc1ccc(Br)cc1C[NH2+]C1CC1)C(N)=O,0
+NS(=O)(=O)c1ccc(NC2=CC(c3ccc(Cl)cc3)N(c3ccc(S(N)(=O)=O)cc3)C2=O)cc1,0
+CC[NH+](CC)CCNc1nc(N)c([N+](=O)[O-])c(Nc2sc3c(c2C(N)=O)CCCC3)n1,0
+NC1(c2ccc(-c3nc4ccc(C5CC5)cn4c3-c3ccccc3)cc2)CCC1,1
+Cn1cc(C=CC(=O)N2CCCC3(C=Cc4ccccc4O3)CC2)cn1,0
+CC(C)N(CC[NH3+])S(=O)(=O)c1cn(C)c(=O)n(C)c1=O,0
+Cn1cc(C=C(NC(=O)c2ccccc2Cl)C(=O)NCCC[NH+]2CCOCC2)c2ccccc21,0
+CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(F)c3)cn2CCN2CCCC2)CC1,1
+O=C(NC(c1ccc(Cl)c(Cl)c1)C1CNC1)c1ccc2cnccc2c1,1
+COc1ccc(N(CCC(N)=O)C(=O)C[NH+](C)CC(=O)Nc2c(Cl)cccc2Cl)cc1,0
+Cc1ccc(OCC(O)C[NH2+]C(CO)CC(C)C)c(Br)c1,0
+OC(C[NH2+]CC(O)C1CCc2cc(F)ccc2O1)C1CCc2ccccc2O1,0
+CC1=C(NC(=O)C(=O)NCCC2=c3ccccc3=[NH+]C2)C(C)N(C)N1,0
+Cn1ncc(Br)c1-c1coc(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CCNCC2)c1,1
+NC(=[NH+]Cc1ccco1)SCc1cc(=O)oc2cc3c(cc12)CCC3,0
+NS(=O)(=O)c1ccc(CCC(=O)NC2CCCC(C(F)(F)F)C2)cc1,0
+Cc1ccc2c(c1)C(O)CC1(CC[NH+](CC(O)c3ccc(Cl)cc3)CC1)O2,0
+CCc1c(N)ncnc1N1CCC(c2nc(-c3cncc(C)c3)cn2CCN2CCC2)CC1,1
+CCC1CCCC[NH+]1CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCC(C(C)(C)C)C2,0
+Cc1nn(-c2ccc(F)cc2)c(N2CC[NH+](C)CC2)c1C[NH+](CCC(C)C)Cc1cccc(O)c1,0
+O=C1CC2OC3(CCCC3)C3=C(C(=O)c4ccccc4C3=O)C2O1,1
+C[NH+](CCNS(=O)(=O)c1csc(C(N)=O)c1)C1CCCCC1,0
+CC[NH+](C)CCNC(=O)NNc1c(F)c(F)c(F)c(F)c1F,0
+CC(C)C(NS(=O)(=O)c1cccs1)C(=O)NCCCN1CCC([NH+]2CCCCC2)CC1,0
+COCC(=O)Nc1ccc(NC(=O)NCC(C(C)C)[NH+]2CCC(C)CC2)cc1,0
+CCCCC(C)C(=O)N1CC(C(=O)NCC(C)(C)C[NH+](C)C)C2(CC[NH2+]CC2)C1,0
+C=CC[NH+](CC=C)C(CNC(=O)Nc1cccc(C(=O)NC)c1C)C(C)C,0
+CCCC(=O)Nc1cccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1C,0
+CC(C)C(NC(=O)Cc1ccccc1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1,0
+COc1ccc(C[NH2+]CCC2=CCCCC2)c(OCC(O)C[NH+]2CCCC2)c1,0
+CN(C)C(=O)C1CCC[NH+]1CC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1,0
+COc1ccccc1C1CN2C(=O)CN(CC(O)c3ccccc3)C(=O)C2(C)C2[NH+]=c3ccccc3=C12,0
+NC(=O)CC1CC[NH+](CC(=O)Nc2cc(F)cc(F)c2)CC1,0
+Cc1ccc(NC(=O)C([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)c2ccccc2)cc1,0
+CC1CC(C)C[NH+](CCCCNC(=O)NC(C(N)=O)C(N)=O)C1,0
+C[NH+](C)CCCCNC(=O)C1CN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC12CC[NH2+]CC2,0
+CCOc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN2CCC2)CC1,1
+Cn1ncc(Cl)c1-c1cc(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CCNCC2)oc1Cl,1
+N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)cc3)cn2CCN2CCCC2)CC1,1
+CC1CC(C)C[NH+](CCCNC(=O)NNC(=O)CC2CCCCC2)C1,0
+CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3sc(C)nc3C)C2c2cccc([N+](=O)[O-])c2)nc1C,0
+Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)c2ccc(Cl)cc2C)cc1,0
+Cc1ccc2[nH+]c(CNC(=O)NCCc3cccc(O)c3)cn2c1,0
+CCOc1c(Br)cc(Cl)cc1NC(=O)C1(CC)CC[NH2+]C1,0
+NS(=O)(=O)c1ccc(C[NH2+]C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)cc1,0
+Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)N(C)N,0
+COc1ccccc1C(=O)NNC(=O)NCC(c1ccc(C)cc1)[NH+]1CCCC1,0
+COc1nn2cc(-c3c(F)cccc3F)c(-c3ccc(CN4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)nc2c1CO,1
+[NH3+]CC(=O)NCC(=O)N1CCC2(CC1)NC(=O)NC2=O,0
+Cc1ccc(N2C(=O)C(CC(=O)Nc3ccc(F)cc3)N(CCCN3CC[NH+](C)CC3)C2=S)cc1,0
+Cc1nc2nc(-c3ccc(CN4CCC(c5nc6ccc(C(F)(F)F)cc6[nH]5)CC4)cc3)c(-c3ccccc3)cn2n1,1
+CC1CCCC(SCCCC(C)([NH2+]C2CC2)C(N)=O)C1,0
+COc1ccc(CCNC(=[NH2+])NCc2ccccc2N2CCCC2)cc1,0
+NC(=O)c1c(NC(=O)C[NH+]2CCN(CCOc3ccccc3)CC2)sc2c1CCCC2,0
+Cc1nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nn2c1-c1ccn[nH]1,1
+O=C(C[NH+]1CCN(C(=O)CCNS(=O)(=O)c2cccs2)CC1)Nc1cccc(F)c1,0
+[NH3+]Cc1cn(CC2CCC[NH+](Cc3ccccc3OC(F)F)C2)nn1,0
+CN(C)CCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2CCC2CC2)CC1,1
+CC(NC(=O)C[NH+]1CCCNCC1)c1ccc(Br)cc1,0
+CCOC(=O)c1sc2nc(COC(=O)c3ccc([N+](=O)[O-])cc3N)nc(N)c2c1C,0
+NC(CNc1nnc(-c2ccc3[nH]ncc3c2)s1)Cc1cccc(C(F)(F)F)c1,1
+COc1cc2c(c(OC)c1OC)-c1ccc(NCCO)c(=O)cc1C([NH+](CCO)CCO)CC2,0
+NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1,0
+COc1ccc2[nH]c3c(c2c1)CC[NH2+]C3c1ccc(OC)c(COc2ccc(Cl)cc2Cl)c1,0
+COc1ccc(C2C(C#N)=C(N)Oc3cc(OC(=O)C(C)Oc4ccc(C(C)C)cc4)ccc32)cc1OC,0
+CC(C)C1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+CCOc1ccc(C(Nc2cc(C)cc[nH+]2)c2ccc3ccc(C)nc3c2O)cc1OCC,0
+O=c1oc2c(C[NH2+]CC3CCCO3)c(O)c(Cl)cc2c2c1CCCC2,0
+Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1cccc(C2C=c3cc(F)ccc3=[NH+]2)c1,0
+O=C(c1ccc(F)c(F)c1)N1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+Oc1ccccc1CN1CC[NH+](Cc2ccccc2O)C1c1sc2ccccc2c1Cl,0
+COc1ccc(CN2C(=O)C3C(CCC(N)=O)[NH2+]C4(C(=O)Nc5c4ccc(C)c5C)C3C2=O)cc1,0
+CC(c1ccccc1)C(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)C#Cc1ccccc1,0
+Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2CC(O)C[NH2+]C(C)(C)C,0
+CCOCCC[NH+]=C(N)SCC(=O)N1CC(C(=O)NC)Oc2ccccc21,0
+[NH3+]C1CC1NS(=O)(=O)c1ccc(Br)cc1Br,0
+COc1ccc2[nH]cc(C3[NH2+]C(C(C)C)NN3c3ccccc3)c(=O)c2c1,0
+Cc1cc(C)n(-c2nc(NN=Cc3ccc(Cl)cc3)nc(Nc3ccc(Br)cc3)n2)n1,0
+CC(C)C(C[NH+](C)C)Nc1ccc(Cl)cc1C(N)=S,0
+Cc1c(C(=O)NNC(=O)NCC(C)[NH+]2CCC(C)CC2)oc2ccccc12,0
+Oc1ccccc1C=NC(c1ccccc1O)C([NH+]=Cc1ccccc1O)c1ccccc1O,0
+Cc1ccc(S(=O)(=O)NCCNC(=O)NCC(c2ccco2)[NH+]2CCCC2)cc1,0
+Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1C(=NNS(=O)(=O)c1ccc(F)cc1)CCC2,0
+CCOC(=O)c1ccc(NC(=O)N2CCCN(c3nc(C)nc(CC)c3Cc3ccc(C)cc3)CC2)cc1,0
+CC[NH+](CC)CCNS(=O)(=O)c1c(N)nc2sccn12,0
+COc1cccc(C2C(C#N)=C(N)OC3=NN=C(c4ccccn4)C32)c1,0
+C[NH+](CC(=O)Nc1cc(N)ccc1Cl)Cc1cccs1,0
+CC(=O)Nc1cc(C(=O)NNC(=S)NCCc2cccs2)ccc1C,0
+[NH3+]C(CC1=c2ccccc2=[NH+]C1)C1N=NC(SCc2ccc(Cl)cc2)O1,0
+CCC(=O)Nc1cccc(C2NNC(SCC3[NH+]=c4ccccc4=[NH+]3)N2C)c1,0
+Cc1cccc(C)c1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)C2c1cccc(OCCC(C)C)c1,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)c2cc(Cl)cc(Cl)c2)CC12CC[NH2+]CC2,0
+C=CC[NH+]1CCN(C(=O)Nc2sc3c(c2C(N)=O)CCC3)CC1,0
+C=CCn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CCC(C)C3)nnc1-c1ccc2c(c1)OCO2,0
+CN(C(=O)C1(C(N)=NO)CCCCCC1)C1CCOCC1,0
+Cc1ccc(C(OCC(O)C[NH2+]C(C)c2ccccc2)c2ccccc2)cc1,0
+Cc1n[nH]c2cnc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12,1
+Cc1ccc(SCc2nn(C)c(Sc3ccc(Br)cc3)c2CC([NH3+])CO)cc1,0
+C[NH+](CCc1ccc(F)cc1)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1,0
+O=C(CCC1NC(=O)NC1=O)NCC(C1=c2ccccc2=[NH+]C1)c1ccccc1Cl,0
+NS(=O)(=O)c1ccc([NH+]=c2oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)cc1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1ccc(Cl)cc1,1
+CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC(=O)N3)CC1)c1ccc(Cl)cc1,1
+Fc1ccc2c(CCNCc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)c[nH]c2c1,1
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(c5nc(-c6cccnc6)no5)CC4)cc3)nc2n1,1
+CC1CC(C)C[NH+](C(C)(C)CNC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1,0
+Cc1cccc(NC(=O)NC(=O)C[NH2+]C(C)c2ccc(Cl)cc2Cl)c1C,0
+CCN(C(=S)Nc1ccc2nc(N3CC[NH+](CC)CC3)cc(C)c2c1)c1ccc(F)cc1,0
+Cc1ccc(C(C)NS(=O)(=O)c2ccc(CC[NH3+])s2)cc1,0
+CC[NH+]1CC2C(c3cccnc3OC)NC(CO)(c3ccccc3)C2C1,0
+O=C(NCCC1=c2ccccc2=[NH+]C1)C(=Cc1ccc(O)cc1)NC(=O)c1ccccc1,0
+CC(NC1=NS(=O)(=O)c2ccccc21)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1,0
+CC1CC(C)CN(C(C[NH3+])c2cc(Br)ccc2O)C1,0
+CC(CNc1ccc(C(N)=S)c(Cl)c1)C[NH+]1CCCC1,0
+Cc1ccc(NC(=O)C[NH+](C)CC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1,0
+Cc1cc(C)c(NC(=O)C[NH+](C)CC(=O)Nc2ccc(C)cc2Cl)c(C)c1,0
+CC[NH+](CC)C(C)CNC(=O)C(=O)Nc1cc2c(cc1Cl)NC(=O)CO2,0
+COc1ccc(CN(Cc2cc3cc(C)c(C)cc3[nH]c2=O)C(=S)NCCC[NH+](C)C)cc1,0
+NC(=O)CSc1ccccc1NC(=O)C[NH+](CC1CCCCC1)C1CC1,0
+CCC([NH3+])C(c1ccc(Br)s1)N1CCOCC1C,0
+NC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CC2CNC2)CC1,1
+CC1CCC[NH+](C(C)CNC(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)C1,0
+CCOC(=O)c1ccc(N2C(=O)C3C(CC(N)=O)[NH2+]C4(C(=O)Nc5c4ccc(Cl)c5C)C3C2=O)cc1,0
+CCC([NH3+])C(c1ccc(Br)s1)N1CCNC(=O)C1,0
+CC(C)[NH+]1CCC(CNc2ncc(Br)cc2N)C1,0
+CC[NH+]1CCc2c(sc(NC(=O)c3ccc(Cl)s3)c2C(N)=O)C1,0
+CNS(=O)(=O)c1ccc(CNC(=O)NCCc2[nH+]ccn2C)s1,0
+OCC([NH2+]Cc1cc(Cl)cc(Cl)c1O)c1ccccc1,0
+O=C1CCCC2=C1C(C1=CC=[NH+]C1)N1NC(SCc3ccccc3)NC1N2,0
+Cc1cccc(OC(C)C(=O)NNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1C,0
+CCOC1CCC[NH+](C(c2cc(Br)cs2)C(N)CC)C1,0
+CCC[NH+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)C(C)c1ccc(Cl)c(Cl)c1,0
+OC(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Oc1ccc(Cl)c(Cl)c1,0
+COc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(OC)c2)cc1Cl,0
+Cl.Nc1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)c1,1
+COc1ccccc1C(O)(c1ccc(C)cc1)C(C[NH+]1CCCCCC1)Oc1ccccc1,0
+COCCCn1cnc2sc3c(c2c1=O)CCC([NH2+]CC1(c2ccccc2)CCCC1)C3,0
+COc1ccc(C[NH2+]CC(C)(C)OC)cc1OCC(O)CN1CC[NH+](C)CC1,0
+CN1CCC1COc1cncc(CCc2ccncc2)c1,1
+CCC([NH3+])C(c1ccc(Br)cc1)N(CC(F)(F)F)C(C)C,0
+C[NH+](CCC(=O)Nc1c(N)cc(Cl)cc1Cl)CC(C)(C)C,0
+Cc1n[nH]c(=O)nc1NN=Cc1cc(Br)c(O)c(Br)c1O,0
+OCCC1C[NH+](Cc2cc(Cl)ccc2O)CCN1Cc1ccc(F)c(F)c1,0
+COc1cccc(NC(=O)Nc2c(O)oc3ccccc3c2=[NH+]C2CCCC2)c1,0
+CNc1snc(C)c1C(=O)OC(C)C(=O)Nc1sc2c(c1C(N)=O)CCC2,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cccnc1,1
+CCOc1cccc(C2N=C(O)c3c(sc4c3CC[NH+](CC)C4)N2)c1O,0
+CCCc1ccc(C(CNOCC)N2CC[NH2+]C(c3ccccc3O)C2)cc1,0
+O=C(NNC(=S)Nc1ccccc1Cl)c1ccccc1C1=[NH+]CCCN1,0
+C#CC[NH2+]C1CC(c2ccc(F)cc2)N2C(C(=O)OC)Cc3c([nH]c4ccccc34)C2C1,0
+CCCC(C)NC(=O)C1CN(C(=O)c2cc(Cl)cc(Cl)c2)CC12CC[NH2+]CC2,0
+NC1(c2ccc(-c3nc4nc(OC5CCCCC5)ccn4c3-c3ccccc3)cc2)CCC1,1
+CCOc1ccc(NC(=[NH2+])Nc2nc(CSc3ncccn3)cc(=O)[nH]2)cc1,0
+Cc1cccc(S(=O)(=O)NC2(c3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CCC2)c1,1
+Cc1cccc(NC(c2ccccc2Cl)c2c(NC(=O)c3ccco3)sc3c2CCCC3)[nH+]1,0
+CCC(NS(=O)(=O)c1cccc(C(C)[NH3+])c1)c1cccs1,0
+O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+](CCOC(c3ccccc3)c3ccc(F)c(F)c3)CC2)c1,0
+CCc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1,1
+NC(=O)c1cc2ccc(O)cc2oc1=[NH+]c1ccc(F)cc1Cl,0
+CC([NH2+]CC1COc2ccccc2O1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,0
+Clc1c[nH]c2ncnc(N3CC4(CCNCC4)c4ccccc43)c12,1
+CC(c1ccc(Cl)cc1)[NH+](C)CC(=O)Nc1cccc(S(N)(=O)=O)c1,0
+Cc1cccc(C(=O)N2CC(C(=O)NC(C)CCCC(C)(C)O)C3(CC[NH2+]CC3)C2)c1,0
+COC(=O)c1ccc(C2Nc3ccccc3NC3=C2C(=O)CC(c2cc(OC)c(OC)c(OC)c2)C3)cc1,0
+Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCOC(C(N)=O)C1,0
+Cn1cccc1C1CCC[NH+]1CC(=O)Nc1sc2c(c1C(N)=O)CCCC2,0
+Cc1ccc(=NS(=O)(=O)CC2CCC[NH2+]2)[nH]c1,0
+NC(=O)C1Cc2ccccc2C[NH+]1CCOc1ccc(S(N)(=O)=O)cc1,0
+COc1ccc(NC(=S)N(CCC2=c3cc(C)ccc3=[NH+]C2C)Cc2ccccn2)cc1,0
+Cc1cc(C)c2nc(NCCCNC(=S)NCCC[NH+](C)C)c(C#N)cc2c1,0
+COc1ccccc1C1CC(c2ccc(I)cc2)=Nc2nnnn21,0
+CC1[NH+]=c2ccccc2=C1CC(=O)NC(C)c1cccc(NC(=O)c2ccccc2)c1,0
+CCOc1cc(C[NH2+]C(CC)CO)c(Br)cc1OCC(N)=O,0
+CCCCN(CC(N)=O)c1cc(Br)ccc1C[NH2+]CC,0
+CC(C)OCCCNC(=O)C1CC[NH+](C(C)C(=O)NC(=O)NC2CC2)CC1,0
+C=CC[NH+](CC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O)Cc1ccc(Cl)s1,0
+COc1ccc(OC)c(NC(=O)C2CC(C)[NH2+]C23C(=O)Nc2c(C)cc(Cl)cc23)c1,0
+CSCCC1[NH2+]C2(C(=O)Nc3c(Cl)cccc32)C2C(=O)N(CCc3ccccc3)C(=O)C12,0
+C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccccc1CC(N)=O,0
+O=C(CNC(=O)c1ccc2c(c1)OCCO2)NNC1=c2ccccc2=[NH+]C1=O,0
+Cc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC3)cc1Cl,0
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1csc2ccccc12,1
+Cc1ccc(Cn2cnc3sc4c(c3c2=O)CCC([NH2+]CC(C)(C)CO)C4)cc1,0
+CCC(C)C(NC(=O)C1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc2c(c1)OCO2,0
+COc1ccc(NC(=O)Nc2ccc(C3C=c4cc(F)ccc4=[NH+]3)cc2)cc1,0
+COc1ccc(NC(=[NH2+])Nc2nc(CSC3NN=C(C)S3)cc(=O)[nH]2)cc1,0
+Cc1cccc(NC(=O)C[NH+]2CCN(CC(=O)Nc3sc4c(c3C(N)=O)CCCC4)CC2)c1C,0
+CC(CNC(=O)NNC(=O)CC1CCCCC1)C[NH+]1CCCCC1,0
+CCNCCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2OC(C)C)CC1,1
+COc1ccc(-c2nnc(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)[nH]2)cn1,1
+CC(C)(C)NC(=O)COc1ccc(C[NH2+]C23CC4CC(CC(O)(C4)C2)C3)cc1,0
+Cc1nc(C2([NH2+]CC(=O)Nc3ccc(S(N)(=O)=O)cc3)CCCC2)no1,0
+CCOC(=O)c1cc(NC(=O)COc2ccc(C=C(C#N)c3nc4ccccc4[nH]3)cc2)ccc1Cl,0
+Nc1ccc(Cl)cc1S(=O)(=O)NCC1CC[NH+](C2CC2)C1,0
+Cc1sc(NC(=O)c2ccc(N3CC[NH+](C)CC3)c([N+](=O)[O-])c2)nc1-c1ccc(Br)cc1,0
+CC(CCCCSc1cccc(Cl)c1)([NH2+]C1CC1)C(N)=O,0
+O=S(=O)(NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1)c1ccccc1F,1
+NC(COc1cncc(Nc2cccnc2)c1)Cc1c[nH]c2ccccc12,1
+COc1ccc(CN2C(=O)C3C(CC(N)=O)[NH2+]C4(C(=O)Nc5c4ccc(C)c5C)C3C2=O)cc1,0
+Cc1ccc(NC(=O)CCNC(=O)NCc2cn3ccc(C)cc3[nH+]2)c(Cl)c1,0
+C#CCNC(=O)CCNC(=O)N1CCN(C(=O)c2ccco2)CC1,0
+Cc1cc(Br)ccc1NC(=O)C[NH+](C)CC(=O)NC1CCCCNC1=O,0
+Cc1occc1C(=O)NNC(=O)C1Cc2cc(Cl)ccc2O1,0
+COc1ccc(CN2C(=O)C3C(CCC(N)=O)NC4(C(=O)Nc5c(C)cccc54)C3C2=O)cc1,0
+[NH3+]C1CCCCCC1NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl,0
+COC(=O)c1cc(NC(=O)c2oc3c(c2C)C(=NNC(N)=[NH2+])CC(C)(C)C3)cc(C(=O)OC)c1,0
+Cc1ccc(SCCCC(C)([NH2+]C2CC2)C(N)=O)cc1C,0
+[H]N=C1C(c2nc3ccccc3s2)=C(Nc2cccc(C)c2C)SC1C(=O)Nc1ccccc1C(N)=O,0
+O=C(NCc1ccc(O)cc1)C(=O)Nc1ccccc1SC(F)F,0
+Cc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)N=C2S)cc1,0
+CN(C)c1ccc(CNC(=O)Nc2ccccc2SCC(N)=O)c[nH+]1,0
+CC1CCc2sc(C(=O)NNC(=O)NCC3([NH+](C)C)CCCC3)cc2C1,0
+COC(=O)c1cccc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1O,1
+O=P(O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O,1
+CC1(C)CNC(=O)c2nc(C3C=c4ccc(F)cc4=[NH+]C3=O)[nH]c2C1,0
+CN(C)c1cc[nH+]cc1NC1C(=O)Nc2cccc(Cl)c21,0
+NC(Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3ccccc23)CC1,1
+NC(=O)C1CCC[NH+]1Cc1cccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1,0
+CCOC(=O)C([NH3+])Cc1cc(C)cc(I)c1O,0
+CCNc1nc(Nc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2)cc(C)[nH+]1,0
+CN(CC1(O)CCCN(CC2CCC2)C1=O)C1CC(C)(C)[NH2+]C(C)(C)C1,0
+Cc1ccc2c(c1)OC(C(=O)N1CCC(c3cc(=O)[nH]cn3)CC1)C2C,0
+CSCCC(NC(N)=O)C(=O)NCc1cc(Br)cs1,0
+C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(C(=O)c4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)c2c1,1
+OC(C[NH+]1CCC2(CC1)CC(O)c1ccc3ccccc3c1O2)c1ccc2c(c1)CCO2,0
+CCCCN(C(=O)C[NH+]1Cc2ccccc2C(c2ccccc2)C1)c1c(N)n(CCC)c(=O)[nH]c1=O,0
+CCCCn1c(N)c(N(C(=O)C[NH+]2CCCC2C(=O)N(C)C)C2CCCC2)c(=O)[nH]c1=O,0
+CCC(C)Nc1cc(-c2nc(SCC(O)CO)[nH]c2-c2ccc(F)cc2)cc[nH+]1,0
+COc1ccc(-c2c(N)ncnc2N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3C)CC2)cc1,1
+Cc1cc(OCC(N)=O)ccc1NC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1,0
+CCCN(C(=O)C(O)(c1ccccc1)c1ccccc1)C(C(=O)NC(C)(C)CC(C)(C)C)c1cccc(O)c1,0
+CSC1=CC2CC3COP(=O)(c4ccccc4O)N[NH+]3CC2C=C1c1ccccc1O,0
+NC(=O)c1sc2[nH+]c3c(c(-c4ccc(C(F)(F)F)o4)c2c1N)CCCCCC3,0
+COc1ccc(NC(=O)C(C)n2cnc3sc(C(=O)Nc4ccc(C)cc4C)c(C)c3c2=O)cc1Cl,0
+CCC([NH3+])C(Oc1ccccc1I)c1ccc(C)s1,0
+CC(C)[NH+]1CCc2c(sc(NC(=O)COc3ccc(F)cc3)c2C(N)=O)C1,0
+Fc1ccc(Br)cc1C1CC(c2ccc(I)cc2)[NH+]=C2N=NNN21,0
+NC(=O)c1ccc(NC(=O)C[NH+](Cc2cccs2)CC2CCCO2)cc1,0
+CC(C)(C)CC(C)(C)NC(=O)C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccco1)C(=O)c1c(O)cccc1O,0
+CCC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc(Br)c4)cc3)nc2c1,0
+COc1ccc(C2C(C(=O)c3ccccc3)=C(Nc3ccccc3)C(=O)N2c2ccccc2)cc1,0
+NC(=O)c1ccc2c(c1)CCOC2CC[NH+]1CC=C(c2cccc3ccccc23)CC1,0
+CC(C)C(=O)N1CCCCC1C(=O)N=c1[nH]c2ccccc2[nH]1,0
+NC(=O)c1ccc([NH+]=c2oc3ccccc3cc2C(=O)NCc2ccco2)cc1,0
+Cc1cccc(C)c1NC(=O)CNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)=[NH+]C(=O)[NH+]=2,0
+NC1(c2ccc(-c3nc4c(O)nccn4c3-c3ccccc3)cc2)CCC1,1
+CCC[NH+]1Cc2cccc(NC(C)C(=O)Nc3sccc3C(N)=O)c2C1,0
+Nc1nc(N)nc(COC(=O)CCCC2=c3ccccc3=[NH+]C2)n1,0
+OC(Nc1nc(NC(O)C(Cl)(Cl)Cl)nc(-c2ccccc2)n1)C(Cl)(Cl)Cl,0
+Cc1c(C(=O)Nc2nc3c(s2)CCCC3)sc2ncn(C)c(=O)c12,0
+OC(C[NH2+]Cc1ccc(Br)s1)COc1ccc(Cl)cc1Cl,0
+COCC(C)NC(=O)C[NH+]1CCC(C(O)c2ccc(Cl)cc2)CC1,0
+Cc1ccc(-n2c3c(c(=O)[nH]c2=O)C(C(F)(F)F)(C(F)(F)F)[NH+]=C(c2ccccc2F)N3)cc1,0
+CC1Cc2c(F)cccc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)n1C,1
+Nn1cc(-c2ccccc2)nc1SCCS(=O)c1ccccc1,0
+CCC(C)(C)C1NN=C(NC(=O)C2CC(=O)N(CCC3=c4cc(Cl)ccc4=[NH+]C3)C2)S1,0
+CCC(CNC(=O)Nc1ccccc1CC(=O)NC)[NH+]1CCc2ccccc2C1,0
+Nc1ncccc1-c1nc2ccc(-c3cccnc3)nc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,1
+CC(C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[NH+](C)CC(=O)Nc1c(Cl)cccc1Cl,0
+Nc1cc(Cl)cc(S(=O)(=O)NCC[NH+]2CCCC2)c1Br,0
+O=C(C=C1CSC(c2cccs2)N1)NCC(C1=c2ccccc2=[NH+]C1)c1ccccc1,0
+COc1cccc(C2CC(c3ccc(F)cc3)N=C3NC(N)=NN32)c1,0
+C=Cc1cnn(C)c1-c1ccc(C(=O)NC2CNCCC2c2cccc(F)c2)s1.Cl,1
+CC(C)N1C(=O)C(=O)N(c2ccccc2)C1=S,0
+Cc1cc(C)c(NC(=O)C[NH+](C)C(C)C(=O)Nc2ccc(C(N)=O)cc2)c(C)c1,0
+CNC(=O)C(CC(C)C)[NH2+]C(C)c1c(Cl)ccc(F)c1Cl,0
+COC(=O)C1OC(Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)C(O)C(O)C1O,0
+CC(Oc1ccc(C(C)C)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)C2c1ccc([N+](=O)[O-])cc1,0
+CC1(O)CCC2(CCC(=O)N3CCOCC3)C([NH2+]Cc3ccc(CO)o3)CC(C)(C)C2C1,0
+C[NH+]1CCc2c(sc(NC(=O)CCCSc3ccccc3)c2C(N)=O)C1,0
+CC(OC(=O)C(CC1=c2ccccc2=[NH+]C1)NC(=O)OCc1ccccc1)C(N)=O,0
+[NH3+]CC#Cc1ccc(F)c(CNS(=O)(=O)c2cccs2)c1,0
+CN(c1ccc(O)cc1)C(C[NH3+])c1c(Cl)cccc1Cl,0
+CC[NH+](C)Cc1cccc(CNC(=O)NNC(=O)Nc2ccccc2C)c1,0
+O=C(NCCCO)C1C(O)CCC2C[NH+]3CCc4c([nH]c5ccccc45)C3CC21,0
+OCC1CCC[NH+]1CCC(O)c1cccc(Br)c1,0
+NC(NCc1ccc(CN2CCc3ccccc32)cc1)=[NH+]CC1CCCO1,0
+Cc1cc(F)c2c(c1)C([NH2+]Cc1cc(C)no1)C(=O)N2,0
+Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(F)c4)cn3CCN3CCCC3)CC2)c1Cl,1
+CC(C)c1csc(Nc2cc(C(N)=O)c(N)cc2F)n1,0
+Cc1cc(C)n(-c2ccc(CNC3=[NH+]CCCN3)c(C(F)(F)F)c2)n1,0
+CCC[NH2+]C1CC(C)(C)Cc2nc(N)ncc21,0
+CC(C)Cc1ccc(C([NH2+]C(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C(C)C)cc1,0
+COC(=O)C1=C2CCCCC2SC1NC(=O)Nc1ccc(C2C=c3cc(Cl)ccc3=[NH+]2)cc1,0
+CCC(NS(=O)(=O)c1ccc(C(C)[NH3+])cc1)c1cccs1,0
+COc1ccc(-n2nc3nc(NCCc4cccs4)nc(-c4cccc(F)c4F)c3c2N)cc1,0
+CCC(CC)C(=O)N1CC(C(=O)NC(C)CCCC(C)(C)O)C2(CC[NH2+]CC2)C1,0
+CCCc1ccc(C([NH2+]CC(=O)NN2C(=O)NC(C)(CC)C2=O)C(C)C)cc1,0
+[NH3+]C(CC1=c2ccccc2=[NH+]C1)C1N=NC(SCc2ccccc2)O1,0
+CC1c2cc3c(cc2C2(CCCC2)C[NH+]1CC(=O)Nc1cccc(S(N)(=O)=O)c1)OCCO3,0
+CCCOc1c(Br)cc(C=C(C#N)C2[NH+]=c3ccccc3=[NH+]2)cc1OCC,0
+COc1ccc([N+](=O)[O-])cc1C([NH3+])c1ccccc1I,0
+Cc1ccc2cc3c([nH+]c2c1)N(c1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1)CC3,0
+CC1CC[NH+](C(CNC(=O)Nc2cc(F)cc(F)c2)C(C)C)CC1,0
+CCOC(=O)C1=C(C[NH2+]CCc2ccccc2)NC(=O)NC1c1ccc(C)cc1,0
+CCC1CCC2(CC1)NC(=O)N(CC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C2=O,0
+CCOc1cc(CC(C)[NH3+])cc(Br)c1OC(C)C(=O)NC,0
+CC1c2ccsc2CCN1S(=O)(=O)c1ccc2c(c1)OCCCO2,0
+CC1CCC(C(N)=O)C[NH+]1C1CCCCC1O,0
+CCC[NH+](CC(=O)NC)CC(=O)NC1CCCCNC1=O,0
+NC(Cc1ccc(F)cc1)C(=O)N1CCN(c2ncnc3ccccc23)CC1,1
+CCCNC(=O)C(C)NC(=O)Nc1ccc(Br)cc1Br,0
+Cc1ccc(C(C)NC(=O)C(C#N)=Cc2ccc(O)c(O)c2)o1,0
+CCOC(=O)C([NH3+])Cc1cc(OC)c(O)c(Br)c1Br,0
+NS(=O)(=O)C1CC=C(CNC(=O)CCCC2=c3ccccc3=[NH+]C2)S1,0
+COCCNCCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2C#N)CC1,1
+CCn1c(-c2nonc2N)nc2c(C#CCCO)ncc(OCCCN)c21,1
+Cc1ccc(NC(=O)Cn2c(N3CC[NH+](CC(C)C)CC3)nc3sc4c(c3c2=O)CC(C)(C)OC4)cc1,0
+CC([NH2+]CC(O)COc1c(Cl)cccc1Cl)c1cccs1,0
+[H]N=C1Oc2n[nH]c(CC)c2C(c2ccccc2)C1C[NH3+],0
+O=C(CC1C(=O)NCC[NH+]1Cc1c(F)cccc1Cl)NCCc1ccc(O)cc1,0
+O=P(O)(O)Oc1ccc(OP(=O)(O)O)c(OP(=O)(O)O)c1OP(=O)(O)O,1
+CCCNC(=O)CC[NH2+]C(CC)c1cc(Br)ccc1O,0
+Cc1n[nH]c2ccc(-c3cc(OCC(N)Cc4ccccc4)cnc3-c3ccoc3)cc12,1
+COC(=O)c1sc2nc(C[NH+](C)C(C)c3cccs3)ccc2c1NC(=O)c1cccc(C)c1C,0
+CC(C(=O)NC(=O)NC1CC1)[NH+]1CCC(C(O)c2ccc(Cl)cc2)CC1,0
+OCC1OC(C[NH2+]Cc2ccc(F)cc2)C(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1O,0
+CC(C)CC1(CO)NC(c2ccccc2OCCO)C2C[NH+](C)CC21,0
+COc1ccc(C2=NC(c3ccc(Cl)cc3)[NH2+]C(c3cc(Cl)ccc3O)C2)cc1,0
+CCCCNC(=O)N1CC[NH+](CCN(CC2=CCC3CC2C3(C)C)C(=O)Nc2ccc(C)cc2)CC1,0
+NS(=O)(=O)c1ccc(CCN2C(=O)CCC2CC[NH2+]Cc2ccccc2F)cc1,0
+C=CC[NH+](CC(=O)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1)Cc1ccccc1F,0
+CCOC(=O)N1CCC([NH2+]C2CCc3c(sc4ncn(C5Cc6ccccc6C5)c(=O)c34)C2)CC1,0
+COc1c(Br)cc(Br)cc1C1N=C(O)c2c(sc3c2CC[NH+](C(C)C)C3)N1,0
+NC(=O)c1c(NC(=O)CC[NH+]2CCN(CC(F)(F)F)CC2)sc2c1CCCC2,0
+Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3c3ccc(F)cc3)ccc21,0
+CC(C)Oc1ccc(C(O)CC[NH+](C)C2CCCCC2)cc1N,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)C2CC=CCC2)CC12CC[NH2+]CC2,0
+COc1ccc(C(CNC(=O)NC2CCCC(C(F)(F)F)C2)[NH+](C)C)cc1,0
+Cn1c(CC(=O)N2CCc3c(F)cccc32)nc(N2CCOCC2)cc1=O,1
+CCOc1cccc2cc(C(=O)Nc3ccccc3F)c(=[NH+]c3ccc(S(N)(=O)=O)cc3)oc12,0
+[NH2+]=C(NCc1ccccc1)NCc1cccc(S(=O)(=O)N2CCCCC2)c1,0
+CCN1C(=O)C2(C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2CCC[NH+](C)C)c2ccccc21,0
+O=C(NCCNc1ccccc1)C1CN(C(=O)C2CC=CCC2)CC12CC[NH2+]CC2,0
+CC([NH2+]CC1CCCO1)(C(N)=O)c1ccc(Br)cc1,0
+CC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,1
+COC(=O)c1ccc(C2N=C(c3ccc(Br)cc3)CC(c3ccccc3O)[NH2+]2)cc1,0
+CC[NH+](CC)CCN(C(=O)C1CCCN1S(=O)(=O)c1ccc(C)cc1)c1nc2c(C)cc(C)cc2s1,0
+CC(C(=O)N1CCOCC1)[NH+]1CCCN(CCC[NH3+])CC1,0
+CC1CCCC[NH+]1CCCCNC(=O)NNC(=O)CCC1CCCCC1,0
+CC(=O)Nc1cc(NC(=O)NCC(C)[NH+]2CCCCC2C)c(F)cc1F,0
+CC([NH2+]Cc1cccc(O)c1O)c1ccccc1Br,0
+COc1ccc(C[NH2+]CC2CN(Cc3ccccc3)CCO2)cc1O,0
+Nc1ncnc(N2CCC3(CCCN(CC(O)CNS(=O)(=O)c4ccccc4F)C3)C2)c1C1CC1,1
+COc1ccc(C[NH2+]Cc2ccc(Cl)s2)c(OCC(O)CN2CC[NH+](C)CC2)c1,0
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3F)cc2OC)c1,1
+O=C([O-])COc1ccc(NC(=O)c2ccc(Br)o2)cc1,0
+CC([NH3+])C(c1cc(Br)cs1)N1CCN(CCO)CC1,0
+O=C(NN=CC1=c2ccccc2=[NH+]C1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1,0
+CC1CC(C)C[NH+](CC(C)NC(=O)C(=O)Nc2ccc(F)c(F)c2F)C1,0
+CC1=CC(C(=O)N2CC(C(=O)NC(C)c3nc4ccc(C)cc4[nH]3)C3(CC[NH2+]CC3)C2)C(C(F)(F)F)O1,0
+c1ccc(-c2cc3cnc(N4CCOCC4)nc3nc2-c2ccc(CN3CCC(c4nnc(-c5ccccn5)[nH]4)CC3)cc2)cc1,1
+CCOc1ccccc1CN(C(=S)Nc1cccc(Cl)c1Cl)C1CC(C)(C)[NH2+]C(C)(C)C1,0
+COC(=O)c1sccc1NC(=O)CSc1ccccc1NC(=O)C[NH2+]C(C)C,0
+C[NH+](CC(=O)Nc1c(Cl)cccc1Cl)CC(=O)N(Cc1ccccc1)c1ccccc1,0
+Cc1ccc(C(C)[NH2+]Cc2ccc(S(N)(=O)=O)cc2)cc1,0
+COCCNc1nc(N)c([N+](=O)[O-])c(N2CC[NH+](C)CC2)n1,0
+COc1ccc(CN(C(=O)CSC(N)=[NH2+])C(C)Cc2cccs2)cc1,0
+OC(COc1ccccc1C[NH2+]CC1=CC(c2ccccc2)[NH+]=N1)C[NH+]1CCCCC1,0
+CCCCN(C(=O)C[NH+]1CCCC2CCCC(C)C21)c1c(N)n(CCC)c(=O)[nH]c1=O,0
+CC(C)c1ccc(SCCC(C)([NH2+]C2CC2)C(N)=O)cc1,0
+Cc1cnc(C)c(NC2CCCCCC2[NH3+])n1,0
+COc1ccc(C(CNC(=O)c2ccc(OCC(N)=O)c(OC)c2)C2=c3ccccc3=[NH+]C2)cc1,0
+Cc1cc(N2CCN(Cc3cc(F)ccc3-n3cccn3)CC2)nc(N)[nH+]1,0
+NC(COc1cncc(C#Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,1
+CC[NH+](CC)Cc1c(O)ccc2c(=O)c(Oc3ccccc3Br)c(C(F)(F)F)oc12,0
+Cc1cc(C)c(NC(=S)N(Cc2ccc(N(C)C)cc2)C2CC(C)(C)[NH2+]C(C)(C)C2)c(C)c1,0
+CC1(C)CC(NC(=O)C2Cc3c([nH]c4ccccc34)C3c4ccccc4C(=O)N23)CC(C)(C)[NH2+]1,0
+C[NH+](C)Cc1c(O)ccc2c(=O)c(Oc3ccccc3Br)c(C(F)(F)F)oc12,0
+CC(NS(=O)(=O)c1ccc(Br)cc1N)C1CCCO1,0
+CCOC(=O)C1=C(CSC(N)=[NH+]C(C)C)NC(=O)NC1c1ccccc1,0
+CC[NH2+]C(c1cc2[nH]c(=O)[nH]c2cc1Br)C1CCCCO1,0
+CN1CCN(c2nccc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc23)CC1,1
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CNCCc4c[nH]cn4)cc3)nc2n1,1
+CC1(C)CCC(C)(C)c2cc(C3CS(=O)CC(C(=O)N4CCC(Cc5ccccc5)CC4)[NH2+]3)ccc21,0
+NC(COc1cnc(Cl)c(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,1
+NC(=O)CSc1nc(N2CC[NH+](CC(N)=O)CC2)c2c3c(sc2n1)CCC3,0
+O=C(NCCC[NH+]1CCc2ccccc2C1)Nc1cc(C(F)(F)F)c[nH]c1=O,0
+CCC(NC(=O)NC1(C(=O)[O-])CCCC(C)C1)C(C)C,0
+COc1ccc(S(=O)(=O)N2CCCCC2)cc1C#CC[NH3+],0
+Cc1ccc(C(=O)CSC2=NC(N)=C(C#N)C3(CCCCC3)C2C(N)=O)cc1,0
+NC(COc1cncc(-c2cc3cn[nH]c3cn2)c1)Cc1ccccc1,1
+Cc1ccc(N2CCN(c3nc(N(C)C)c4c([nH+]3)CCN(C(=O)c3ccc(C(F)(F)F)cc3)C4)CC2)cc1,0
+CCOc1cc(C[NH2+]CCCN2CCCC2=O)cc(Br)c1OCc1ccc(F)cc1Cl,0
+NC(=O)COc1ccc(C[NH2+]C2CCOc3ccc(Br)cc32)cc1,0
+CC1CC(C)CN(C(=O)C[NH+]2CCN(C(C)C(=O)Nc3sc4c(c3C(N)=O)CCC4)CC2)C1,0
+NC(=O)c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cccnc3-4)cc2)CCC1,1
+COCCCN1C(=O)C2C(Cc3ccc(O)c(O)c3)[NH2+]C3(C(=O)Nc4c(Cl)cccc43)C2C1=O,0
+OC(C[NH2+]C1CCCc2ccccc21)COC1CCCc2ccccc21,0
+CCC(C)C(NC(=O)C1Cc2ccccc2C[NH2+]1)C(=O)NC(C)c1ccccc1,0
+CCCOc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)N3CC[NH+](C)CC3)c2)cc1,0
+CC1CCCC(CO)([NH2+]C2CCS(=O)(=O)C2)C1,0
+c1ccc(-c2n[nH]cc2-c2ccncc2)cc1,1
+COc1ccc(SC2CC(C(=O)N3CCN(c4ccccc4F)CC3)[NH+](Cc3ccccc3O)C2)cc1,0
+O=C(Nc1cccc(C(F)(F)F)c1)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+CC(NC(=O)NC(C(=O)[O-])C1CC1)c1ccsc1,0
+CC1(C)CCC(=[NH+]c2ccc(S(N)(=O)=O)cc2)C(=O)C1,0
+Oc1ccc2ccccc2c1CNCC[NH2+]Cc1c(O)ccc2ccccc12,0
+CCN(C(=O)C(C)Sc1nnc(-c2cccc(C)c2)n1CC(=O)[O-])C1CCS(=O)(=O)C1,0
+CC(OC(=O)C1CCN(c2ccc(C(F)(F)F)c[nH+]2)CC1)C(=O)Nc1ccccc1-c1ccccc1,0
+COc1ccc(C[NH2+]CC2(O)CCCc3ccccc32)c(O)c1,0
+Cc1cccc(-c2nc(C3CN(Cc4ccc(-c5nc6ncc(C)n6cc5-c5ccccc5)cc4)C3)n[nH]2)n1,1
+Cc1ccc(NC(=O)c2cc3ccc(O)cc3oc2=[NH+]Nc2ccccc2)cc1O,0
+Cc1cccc(C(=O)NNC(=O)NCc2ccc(N(C)C)[nH+]c2)c1,0
+OCC([NH2+]Cc1cc(Br)c2c(c1)OCO2)c1ccccc1,0
+CC1(C)CC2=C(CO1)C1=NC=NC(=O)C1S2,0
+c1ccc(-c2cc3c(ccn4cnnc34)nc2-c2ccc(CN3CCC(c4n[nH]c(-c5ccccn5)n4)CC3)cc2)cc1,1
+Cc1cc(C)cc(N2N[NH2+]NC2SCC(=O)NC(CC2=c3ccccc3=[NH+]C2)C(=O)[O-])c1,0
+CCN(CCO)S(=O)(=O)c1ccc(C#CC[NH3+])cc1Cl,0
+CC1CCC[NH+](Cc2csc(=NS(=O)(=O)c3cc(C(N)=O)n(C)c3)[nH]2)C1,0
+Cc1cc(=O)n2nc(C[NH+]3CCN(S(=O)(=O)c4ccc5c(c4)OCCCO5)CC3)sc2n1,0
+CC[NH+]1CCCC1CNC(=S)NNc1c(Cl)cc(Cl)cc1Cl,0
+NC(COc1cncc(-c2ccc3[nH]nc(C(F)(F)F)c3c2)c1)Cc1c[nH]c2ccccc12,1
+NC(=O)C1CCC[NH+]1Cc1cccc(NC(=O)C=Cc2ccc(F)cc2)c1,0
+Cc1cc(-c2ccn[nH]2)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12,1
+COc1ccc(NC(=S)N(CCC2=c3cc(Cl)ccc3=[NH+]C2C)Cc2ccco2)cc1,0
+CC([NH3+])C(Sc1nncn1C)c1ccc(Br)s1,0
+O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1)C1=c2ccccc2=[NH+]C1,0
+Oc1c(Br)cc(Br)cc1C=NN1C(=S)N=[NH+]C1c1ccccc1Cl,0
+CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2C(C)(C)C)cc1,0
+NC(=O)c1c(NC(=O)C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)sc2c1CCC2,0
+CC(C)CNC(=O)C[NH+](CC(=O)NCC(C)C)C(C)c1ccc(S(N)(=O)=O)cc1,0
+CC[NH+](CC)C(CNc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1Cl,0
+C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCc2ccccc2O)c1,0
+O=C(NC1CCCC1)C1CN(C(=O)C2CCCN2C(=O)C(F)(F)F)CC12CC[NH2+]CC2,0
+COc1cc(C2C3[NH+]=c4ccccc4=C3CC3C(=O)N(CCc4ccccc4)CC(=O)N32)cc(OC)c1OC,0
+c1ccc(-c2cc3ccncc3nc2-c2ccc(CN3CCC(c4n[nH]c(-c5ccccn5)n4)CC3)cc2)cc1,1
+O=C1C2C(Cc3ccc(O)cc3)[NH2+]C3(C(=O)Nc4c(Cl)cccc43)C2C(=O)N1CCc1ccccc1,0
+CC1(C)CC(N(Cc2ccccc2)C(=S)Nc2ccc(C(F)(F)F)cc2Cl)CC(C)(C)[NH2+]1,0
+Cc1cc(OCC(O)CN2CC[NH+](C(C)C(=O)NC3CC3)CC2)c(C(C)C)cc1Cl,0
+O=C(Nc1sc2c(c1C(c1ccc(Cl)cc1)[NH+]1CCCCC1)CCCC2)c1ccco1,0
+Cc1cccc(-c2nnc(SCC(=O)Nc3c(Br)cc(Br)cc3Br)n2N)c1,0
+C#Cc1cccc(NC(=S)NNC(=O)C2=Cc3cc(Cl)ccc3OC2)c1,0
+Cc1n[nH]c2cnc(-c3cncc(OCC(N)Cc4ccc(Br)cc4)c3)cc12,1
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CNCCCn4ccnc4)cc3)nc2n1,1
+CN(C(=O)c1cc(Cl)ccc1NC(=O)C=Cc1ccc(Cl)c(Cl)c1)C1CC[NH+](C)CC1,0
+CC(NC(=O)C(CC1=c2ccccc2=[NH+]C1)NC(=O)OCc1ccccc1)c1ccc2c(c1)OCO2,0
+Cc1cccc(NC(=O)C2CCC[NH+](CC(=O)NC(=O)NCCc3cccs3)C2)n1,0
+COc1ccc2c(c1)=[NH+]C(SCC(=O)Nc1cccc(S(=O)(=O)N(C)c3ccccc3)c1)[NH+]=2,0
+Cc1ccc(S(=O)(=O)CNC(=O)C(c2ccccc2O)N(C(=O)c2ccccc2O)C(C)(C)C)cc1,0
+Cn1cc[nH+]c1C(Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1,0
+CC1Cc2c(OC(F)F)cccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+O=C(CNC(=O)N1CCC2=c3cc(Cl)ccc3=[NH+]C2C1)NCC(O)c1ccccc1,0
+CC([NH3+])C(Sc1ncnc2nc[nH]c12)c1ccc(Br)cc1,0
+CNC(=O)c1cccc(CNC(=O)NCC(O)c2ccc3ccccc3c2)c1,0
+Nc1ccc(Br)c(C(=O)OCC(=O)NCC2CC2)c1,0
+CCOc1cc(C[NH3+])cc(Br)c1OC(C)C(=O)NC1CC1,0
+CC1CCC(NC(=O)C(C)[NH+]2CCC(CC(N)=O)CC2)CC1,0
+C[NH+](C)CCNC(=O)CC1OC(CNC(=O)C2CC2)C(O)C1O,0
+C[NH+](C)C(CNC(=O)Nc1ccc(OCC(N)=O)cc1)c1ccc(F)cc1,0
+CC(N)C(c1ccc(Cl)s1)[NH+](CCO)C1CCCC1,0
+Cc1ccc(NC(=O)C([NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)c2ccccc2)cc1,0
+Cc1ccc(F)c2c1N(C(=O)C1CCCN(S(C)(=O)=O)C1)CCC2,0
+CCOc1cc(C[NH2+]CC(C)O)cc(Cl)c1OCc1ccc(F)cc1Cl,0
+CC1CCC(C(C)C)C(NC(=O)C2CCC3(CC2)NC(=O)NC3=O)C1,0
+CC(C)S(=O)(=O)c1ccc(C(CNBr)N2CC[NH2+]C(c3ccccc3O)C2)cc1,0
+CCC(N)C(c1ccc(Br)s1)[NH+](CCOC)CC(C)C,0
+O=C(CCC1=c2ccccc2=[NH+]C1)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1,0
+O=C(NCc1cccc(F)c1)C1NC(CC2=c3ccccc3=[NH+]C2)NO1,0
+N#CC1=C(N)OC2=c3ccccc3=[NH+]C(=O)C2C1c1ccncc1,0
+CC1CC[NH+](CC(O)CNC(=O)NC(C)c2ccc3c(c2)NC(=O)CO3)CC1,0
+CN(Cc1csc(Br)c1)c1ccc(Cl)cc1C(N)=[NH2+],0
+C=CCN1C(=O)NC(c2ccc(F)cc2)C(C(=O)OCC)=C1C[NH+]1CCCN(C(=O)c2ccccc2)CC1,0
+Cc1ccccc1SCC(=O)NNC(=O)CC[NH+]1C(C)CCCC1C,0
+Nc1cc(S(=O)(=O)NC2C[NH+]3CCC2CC3)c(F)cc1F,0
+O=C([O-])CN1C(=O)NC2(CCN(CC[NH+]3CCCC3)CC2)C1=O,0
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1ccccc1,1
+Cc1ccc(C(NC(=O)C[NH+]2CCC(CC(N)=O)CC2)c2cccs2)cc1,0
+C[NH+](C)C(CNC(=O)NNC(=O)OC(C)(C)C)c1ccsc1,0
+Cc1nn(CC(C)C)c2sc(C(=O)N3CCN(C(=O)C(C)C)CC3)cc12,0
+COc1cc(C2NCCC3=c4ccccc4=[NH+]C32)ccc1OCC(=O)Nc1ccccc1F,0
+CCOC(=O)C1=C(CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)NC(=O)NC1c1cccs1,0
+Cn1c(CC(=O)N2CC(C)(C)c3c(F)cccc32)nc(N2CCOCC2)cc1=O,1
+CCC[NH+]1CCC(CNC(=O)NNC(=O)CC2CCCCC2)CC1,0
+[NH3+]CCCc1c(-c2ccc(Br)cc2)nc2ccc(Br)cn12,0
+CCCC(C)NC(=O)C1CCC[NH+](CC(=O)Nc2sccc2C(N)=O)C1,0
+CCC(C)CC(=O)N1CC(C(=O)NC(C(=O)NC(C)(C)C)C(C)C)C2(CC[NH2+]CC2)C1,0
+Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3cc4c(cc3C2C)OCCCO4)c1C,0
+CCOc1ccc(C(=O)Nc2c(N)nc(SCC[NH+](CC)CC)[nH]c2=O)cc1,0
+O=C(CCCC1=c2ccccc2=[NH+]C1)NC1Nc2ccc(Br)cc2S1,0
+NS(=O)(=O)c1ccc(S(=O)(=O)NCC(C2=c3ccccc3=[NH+]C2)c2cccs2)cc1,0
+CC1(C)CC(NC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC(C)(C)[NH2+]1,0
+COc1ccc(O)c(C(=O)c2ccc(C=CC3CCCNCC3NC(=O)c3ccncc3)cc2)c1F.Cl,1
+CCCCn1c(N)c(N(CC)C(=O)C[NH+]2CCCCCC2c2ccc(OC)cc2)c(=O)[nH]c1=O,0
+CC[NH+](CC)CCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=S)NC1CCCCC1,0
+Cc1cc(C)cc(OCC[NH+](C)C(C)C(=O)Nc2sccc2C(N)=O)c1,0
+COc1cc2sc(NC(=S)NC(=O)c3cc(Br)cc(C)c3OC)nc2cc1Cl,0
+CCNC(=O)CN(C)C(c1cc(Br)cs1)C(C)[NH3+],0
+COc1ccc(-c2nc(NCC[NH+]3CCCCC3)nc3nn(-c4ccc(F)cc4)c(N)c23)c(F)c1,0
+c1ccc(Cn2nnc(-c3ccc4[nH]ncc4c3)c2C2CC2)cc1,1
+CN(CCOc1cccc(Br)c1)c1cccc(C(N)=[NH2+])c1,0
+COc1ccc(OC)c(S(=O)(=O)N[NH+]=c2oc3ccccc3cc2C(=O)Nc2cccc(F)c2)c1,0
+NS(=O)(=O)c1cccc(NC(=O)C[NH+](Cc2ccccc2F)C2CC2)c1,0
+CC[NH+](CC)CCC[n+]1cnc2c(c1N)C(c1ccc(Cl)cc1)c1ccc(O)cc1O2,0
+CC(C)C(C)[NH+](C)C(C)C(=O)Nc1c(N)cc(Cl)cc1Cl,0
+CC(C)CC(C)N(C)C(C[NH3+])c1cc(Br)c(Br)o1,0
+COc1cc(OC)c(NC(=O)N2CCC3=c4ccccc4=[NH+]C3C2c2ccc(C)cc2)cc1Cl,0
+CC(C)CC1Nc2cc(NS(=O)(=O)N(C)C)cc(C(=O)NCC3C=c4ccccc4=[NH+]3)c2N1C,0
+CCCCOc1ccc(C=NNC(=O)C(NC(=O)c2cccc(Cl)c2)C(C)C)cc1Br,0
+CC(C)C([NH2+]Cc1nc2ccccc2c(=O)n1CC(N)=O)c1ccc2c(c1)OCCCO2,0
+CCCNC(=O)C[NH2+]Cc1cc(Br)cc(Br)c1OCC,0
+CC[NH+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CC(C)CC(C)C4)cc3)c2C(=O)OC)C1,0
+CC[NH+]1CCN(c2cc(C)c3cc(NC([S-])=[NH+]CC[NH+](C)C)ccc3n2)CC1,0
+Cc1cc(Br)ccc1NC(=O)C[NH+](C)C(C)C(=O)Nc1ccc(C(N)=O)cc1,0
+CC1CC(C)C[NH+](CC(=O)NCc2ccc(NC(=O)NC(C)C)cc2)C1,0
+Cn1c(CC(=O)N2CCc3ccccc32)nc(N2CCOCC2)cc1=O,1
+C[NH+](C)CCCCNC(=O)C1CN(C(=O)C2CC=CCC2)CC12CC[NH2+]CC2,0
+CCOCC(=O)NNC(=O)NCC1([NH+]2CCCCC2)CCCCC1,0
+CC1Cc2c(Cl)cccc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)n1C,1
+O=C(NCCNc1ccccc1)C1CN(C(=O)C2CC=CCC2)CC12CC[NH2+]CC2,0
+CC1CCc2c(sc(NC(=O)COC(=O)CC3=c4ccccc4=[NH+]C3)c2C(N)=O)C1,0
+O=C(NCc1cn2ccccc2n1)C1CN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC12CC[NH2+]CC2,0
+Cc1sc(NC(=O)c2ccco2)c(C(Nc2cccc[nH+]2)c2cccc([N+](=O)[O-])c2)c1C,0
+CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C)c3)cn2CCN(C)C)CC1,1
+CCOc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCC(N)=O,0
+Cc1nn(-c2ccccc2)c(N2CC[NH+](C)CC2)c1CN(CCC(C)C)C(=O)c1ccc(Cl)c(Cl)c1,0
+CC(SC1NN=C(C2=c3ccccc3=[NH+]C2)N1C1CC1)C(=O)NC(=O)NC(C)(C)C,0
+CC12CCC(O)CC1=CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO,0
+OCC(CO)[NH2+]Cc1cc(Cl)ccc1OCC(O)C[NH+]1CCCCCC1,0
+CN1CCc2c(c(N3CCOCC3)[nH+]c3sc(C(=O)N4CCCC4)c(N)c23)C1,0
+COc1ccc(C=NNC(=O)COc2cc(C)ccc2C(C)C)cc1I,0
+NC(=O)C1=C2CCCC2SC1NC(=O)C(=O)NCCC1=c2cc(Cl)ccc2=[NH+]C1,0
+CC1SCc2ncnc(N3CCN(C(=O)C(N)Cc4ccc(Cl)c(F)c4)CC3)c21,1
+CC(C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[NH+](C)CC(=O)NC(C)(C)C,0
+CCOC(=O)C1=C(C[NH+]2CCCCC2C(N)=O)NC(=O)NC1c1cccs1,0
+CCOc1ccc(C#N)cc1NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1,0
+CCCN(C)Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,1
+COc1ccc(CCNC(=[NH2+])NCC2CCN(c3ccccc3OC)C2)cc1,0
+NC(COc1cncc(-c2cc3cn[nH]c3cn2)c1)Cc1cccc(C(F)(F)F)c1,1
+CC[NH+](CC)CCNC(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccc(C)cc2)cc1,0
+Cc1ccccc1CC(=O)N(Cc1ccco1)C(C(=O)NC(C)(C)C)c1c(O)cc(O)cc1O,0
+CCC(=O)Nc1cccc(NC(=S)[NH+]=c2ccc3c(C)cc(O)oc-3c2)c1,0
+Cc1c(NCCN2CCCC2)cc(Cl)cc1N1CCN(c2ncnc3[nH]nc(Br)c23)CC1,1
+CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)C3c2c(Cl)cccc2Cl)cc1,0
+CCCC(C)C(=O)N1CC(C(=O)NCc2ccccc2Sc2ccccc2CO)C2(CC[NH2+]CC2)C1,0
+O=S(=O)(c1ccc(Cl)cc1)N1CCc2nc(-c3ccc(F)cc3)ncc2C1,0
+COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)C[NH+]1CC=C(c2ccc(F)cc2)CC1,0
+Cc1ccc(C2C(C#N)=C(N)Oc3cc(OC(=O)C4COc5ccccc5O4)ccc32)cc1,0
+NC(=O)CC1[NH2+]C2(C(=O)Nc3c(Cl)cccc32)C2C(=O)N(CC3CCCO3)C(=O)C12,0
+CC1=NN(c2ccccc2)C(=O)C1=CNNc1nncc2ccccc12,0
+COc1ccccc1-c1ncc(OCC(N)Cc2ccccc2)cc1-c1ccc2[nH]nc(C)c2c1,1
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)c2c(F)cccc2F)CC12CC[NH2+]CC2,0
+CSc1ccccc1NC(=O)C[NH+](C)Cc1nc(N)nc(Nc2ccccc2C)n1,0
+CC1=C(N=Cc2ccc(N(C)C)cc2)C([NH3+])N(c2ccccc2)N1,0
+[NH2+]=C1Nc2nc3ccccc3n2C(c2ccc(OCCO)cc2Br)N1,0
+Cc1cc(-c2cn(CCN3CCCC3)c(C3CCN(c4ncnc(N)c4OC(C)C)CC3)n2)ccc1F,1
+Cc1cc(C)c2nc(N(CC[NH+](C)C)C(=O)C3CCCN3S(=O)(=O)c3cccs3)sc2c1,0
+[NH2+]=C1Nc2nc3cc4c(cc3n2C(c2ccc(OC(F)F)cc2OC(F)F)N1)OCCCO4,0
+O=C(NCCNc1ccccc1)C1CN(C(=O)C2CCC2)CC12CC[NH2+]CC2,0
+NC1(COCc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,1
+Cc1cc(C)cc(NC(=O)C(=O)NCC(c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)c1,0
+COC(=O)CCN(C(C)=O)c1ccc(NC2[NH+]=c3ccccc3=NC2=NS(=O)(=O)c2ccccc2)cc1,0
+CCc1n[nH]c2c1C(c1ccc(OC)c(OC)c1OC)C(C#N)=C(N)O2,0
+NC(CNc1nnc(-c2ccc3[nH]ncc3c2)s1)Cc1ccc(Cl)cc1Cl,1
+O=C1C2C3CCC[NH+]3C3(C(=O)Nc4ccc(Cl)cc43)C2C(=O)N1c1cc(Cl)cc(Cl)c1,0
+O=C(NCCNc1cccc[nH+]1)NCC1COc2ccccc2O1,0
+CC(C)(C)[NH+]=C(N)Nc1ccc(I)cc1,0
+CCC([NH3+])C(c1cc(Br)cs1)N1CCCCC1CCO,0
+c1ccc(-c2cc3cnc(N4CCn5cnnc5C4)nc3nc2-c2ccc(CN3CCC(c4nnc(-c5ccccn5)[nH]4)CC3)cc2)cc1,1
+[NH3+]C(CC1=c2ccccc2=[NH+]C1)C(=O)N1CCC(C(=O)NCC2CCC(C(=O)[O-])CC2)CC1,0
+CCC[NH+](CC(=O)Nc1sccc1C(N)=O)C(C)c1ccc(Cl)c(Cl)c1,0
+N#Cc1ncc(OCC(N)Cc2c[nH]c3ccccc23)cc1-c1ccc2cnccc2c1,1
+CCC(C)NC(=O)c1ccc(CNC(=O)NCC[NH+](C(C)C)C(C)C)cc1,0
+CCC([NH2+]Cc1cccs1)(C(N)=O)c1ccc(Cl)cc1,0
+CC(=O)Nc1cc(NC(=O)NCC(O)c2ccc(F)c(F)c2)c(F)cc1F,0
+CNC(=O)NC(=O)C[NH+]1CCCC1C(=O)Nc1cc(Cl)ccc1Cl,0
+CC1(n2c(N)[nH+]c3ccc(F)cc32)CCS(=O)(=O)C1,0
+Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12,1
+Cc1nc(-c2ccc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2)c(-c2ccccc2)[nH]c1=O,1
+CC(C)NC(=O)c1ccccc1NC(=O)C[NH+]1CCN(CCO)CC1,0
+CC(Cc1ccc(O)cc1)NC(=O)NCc1ccc(N2CCCCC2)[nH+]c1,0
+NC(=[NH2+])NN=C(CSc1nc2ccccc2s1)c1ccc(Br)cc1,0
+Cc1c(C(=O)NNC(=O)NCC2([NH+](C)C)CCCCC2)oc2ccccc12,0
+NC(=O)c1ccc(NC(=O)C[NH+]2CCCC2c2ccc3c(c2)OCCCO3)cc1,0
+CCCCc1ccc(Nc2ncnc(NC3CC(C)(C)[NH2+]C(C)(C)C3)c2N)cc1,0
+CC(C)S(=O)(=O)c1ccc(C(CNBr)N2CC[NH2+]C(c3ccccc3O)C2)cc1,0
+CCC(=O)Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,1
+CC(C)(C)CC(C)(C)[NH2+]Cc1cc(Br)c(OCC(N)=O)c(Br)c1,0
+Cc1cccc(C(=O)NNC(=O)C(C)[NH+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1,0
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1csc2ccccc12,1
+COc1cccc(NC(=O)CSc2nc3ccc(NC(=O)Nc4cc(C)ccc4C)cc3s2)c1,0
+CCOC(=O)C1=C(C[NH+](C)CC(=O)Nc2ccccc2Cl)NC(=O)NC1c1ccc(Cl)cc1,0
+CCCC[NH2+]C(C(N)=O)C1=CC(Cc2ccccc2)c2ccccc21,0
+COc1cc(CN2C(=O)NC(=O)C(C3NCCC4=c5cc(OC)ccc5=[NH+]C43)C2O)cc(OC)c1,0
+CC1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=S)n1C,1
+Cc1cc(C)c(C[NH2+]Cc2cccc(S(=O)(=O)NC(C)C)c2)cc1C,0
+COc1ccc(-n2c(N)c(C(=O)NCc3ccco3)c3[nH+]c4ccccc4nc32)cc1,0
+[NH2+]=C1Nc2nc3ccccc3n2C(c2ccc(F)c(F)c2F)N1,0
+OCC1([NH2+]CC(O)c2cccc(Br)c2)CCCCC1,0
+CC1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+Cc1cc(C=C(C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1,0
+O=P1(c2ccccc2O)N[NH+]2CC3C=C(c4ccccc4O)C(c4ccccc4O)=CC3CC2CO1,0
+CCN1C(SC(C(=O)C2=c3ccccc3=[NH+]C2)c2ccccc2)=NNC1CCC(N)=O,0
+Cc1cc(C)n2c(C(C)([NH3+])c3ccccc3)nnc2n1,0
+CCCCSc1nc(N2CC[NH+](Cc3cc(C)ccc3C)CC2)c2c3c(sc2n1)CCC3,0
+CCOc1cccc(C2CC(c3ccc(CC)cc3)=NC(c3ccc(Br)cc3)[NH2+]2)c1O,0
+CCCN(CC(F)(F)F)C(c1cccc(Br)c1)C(C)[NH3+],0
+CS(=O)(=O)N1CCC2(CC1)CN(c1ncnc3[nH]ccc13)c1ccc(F)cc12,1
+CCOc1ccc(NC(=O)c2ccc(NC(=O)C[NH+](C)C3CCc4ccccc43)cc2)cc1,0
+COc1ncc(-c2cc3c(C)nc(N)nc3n(C3CCC(OCC(N)=O)CC3)c2=O)cc1F,1
+CC(SC1NN=C(C2=c3ccccc3=[NH+]C2)N1C1CC1)C(=O)NC(N)=O,0
+CC(CCCCSc1cccc(Br)c1)([NH2+]C1CC1)C(N)=O,0
+C#Cc1cccc(NC(=O)C[NH+](C)CC(=O)Nc2c(C)cc(C)cc2Cl)c1,0
+COC(=O)C1Cc2c([nH]c3ccccc23)C2CC([NH2+]CCNC(C)=O)CC(c3cccc(Cl)c3)N12,0
+CC1=NN2C(NC(C)C2CNC(=O)C2C=c3ccccc3=[NH+]2)S1,0
+COc1cccc(NC(=O)NCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)c1,1
+COc1ccccc1NC(=O)C(C)[NH2+]C(C)c1ccc(Cl)c(Cl)c1,0
+Cc1cccc(NC(c2cccs2)c2cc(C)sc2NC(=O)c2ccccc2)[nH+]1,0
+COc1ccc(NC(=O)c2cc3cccc(OC)c3oc2=[NH+]NS(=O)(=O)c2ccc(C)cc2)cc1,0
+COC(=O)C1C(=O)C2=C(CC1C)NC(C)=C(C(=O)OC1CCCCC1)C2c1ccc(C)c([N+](=O)[O-])c1,0
+CCc1ccc2occ(CC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c2c1,0
+O=C(Cn1c(=O)n(S(=O)(=O)c2ccc(Br)cc2)c2ccccc21)NCC[NH+]1CCCCC1,0
+CC[NH+](CC)CCN(C(=O)C1CCCN1S(=O)(=O)c1cccs1)c1nc2c(C)ccc(C)c2s1,0
+CCC([NH3+])C(c1ccc(Br)s1)N(C)Cc1cc(Br)cs1,0
+CNC(=O)C1CC(n2cc(C(C)(C)NC(=O)c3ccccc3Cl)nn2)C[NH2+]1,0
+COc1cc(C2CC(=O)NC3=C2C(=O)CC(c2ccc(OC(C)C)cc2)C3)cc(Br)c1OC,0
+CCOc1c(Br)cc(C[NH2+]C(CC)(CC)CO)cc1Br,0
+COc1cc(C2C(C#N)=C(N)Oc3cc(N)ccc32)ccc1O,0
+CCOc1cc(C[NH2+]CC(C)O)cc(Br)c1OCc1ccc(F)cc1,0
+CC(C)[NH+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)c2C(N)=O)C1,0
+CCOC(=O)c1c(C[NH+](Cc2ccccc2)Cc2ccccc2)n(C)c2cc(Br)c(O)cc12,0
+CC[NH+]1CC2C(c3ccc4c(c3)CC(C)(C)O4)NC(CO)(CCO)C2C1,0
+CCCNC(=O)NC(=O)C[NH+](CC)CC(=O)Nc1c(Cl)cccc1Cl,0
+CCCC(C)[NH+](C)C(C)C(=O)Nc1c(Cl)cc(N)cc1Cl,0
+Cc1ccc(C(C)NC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)s1,0
+Cc1ccc2ncnc(N3CCN(C(=O)C(N)Cc4ccc(Cl)cc4)CC3)c2c1,1
+Cc1n[nH]c2ccc(-c3cc(OCC(N)Cc4ccccc4)cnc3-c3cccs3)cc12,1
+CC(C)(C)c1ccc(OCC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)C3c2cccc3ccccc23)cc1,0
+COc1ccccc1NC(=[NH2+])Nc1nc(CSc2nnnn2-c2ccccc2)cc(=O)[nH]1,0
+Cn1c(=O)c2c(nc3scc(CSC(N)=[NH2+])n32)n(C)c1=O,0
+NS(=O)(=O)c1ccc([NH+]=c2oc3cc(O)ccc3cc2C(=O)Nc2ccc(Cl)cc2Cl)cc1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1ccc(F)c(Cl)c1,1
+CC(C)(C)c1cc(C2CSCC(C(=O)NCc3ccccc3F)[NH2+]2)cc(C(C)(C)C)c1O,0
+COc1cncc(-c2cccn3c(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nc23)c1,1
+COc1ccc(CCC(=O)N2CC(C(=O)NCc3ccc(C)c(C)c3)C3(CC[NH2+]CC3)C2)cc1,0
+NC(CNc1nnc(-c2ccc3[nH]ncc3c2)s1)Cc1ccc(C(F)(F)F)cc1,1
+Clc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1,1
+Cc1cc2nc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CC(C)OC(C)C4)cc3)sc2cc1C,0
+CCCc1ccc(C(CNBr)N2CC[NH2+]C(c3ccccc3O)C2)cc1,0
+O=C(C=Cc1cccc([N+](=O)[O-])c1)NC(=S)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1,0
+CC(C)N(C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)C(C)C,1
+CSCCC(NC(N)=O)C(=O)NCC1([NH+]2CCSCC2)CCCC1,0
+CCCOc1ccc(N2C(=O)CC([NH2+]CCNc3ccc(S(=O)(=O)CC)cc3)C2=O)cc1,0
+CC1CC(C)C[NH+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1,0
+CC(=O)Nc1ccc(NC(=O)CCCNC(=O)N2CCC3=c4ccccc4=[NH+]C3C2)cc1,0
+COc1cccc(-c2nc3cc(NC(=S)NC(=O)c4cc(Br)ccc4OC)ccc3o2)c1,0
+CCCNC(=S)NCC(C1=c2ccccc2=[NH+]C1)C1CC=CS1,0
+Cc1c[nH]c2ncnc(N3CCN(C(=O)C(N)C4Cc5ccccc5C4)CC3)c12,1
+O=C(NC(c1ccc(Cl)c(Cl)c1)C1CCNCC1)c1ccc2[nH]c(=O)oc2c1,1
+Cc1ccc(C(C)NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)c(C)c1,0
+CC[NH+](CC(=O)NCc1cccs1)CC(=O)Nc1ccccc1C(=O)NCc1ccccc1,0
+O=C(Nc1c(C(=O)N2CCN(c3cccc[nH+]3)CC2)oc2ccccc12)C1CCCC1,0
+CC(C)NC(=O)Nc1ccc(CNC(=O)N2CCC(CC[NH+](C)C)CC2)cc1,0
+COc1c(Br)cc(Br)cc1C=NNC1=[NH+]C2[NH+]=c3ccc(C)cc3=C2N=N1,0
+O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNCC[NH+]1CCCCC1,0
+C=CCNC(=O)NC(=O)C(C)[NH+]1CCC(C(=O)N2CCOCC2)CC1,0
+CCC([NH3+])C(c1cc(Br)cs1)[NH+](CC)CC(=O)NC(C)C,0
+COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1,0
+CC(c1cccs1)N(C)S(=O)(=O)c1ccc(CC[NH3+])s1,0
+CC1(C)CC(Nc2ncnc(NC3CC(C)(C)[NH2+]C(C)(C)C3)c2[N+](=O)[O-])CC(C)(C)[NH2+]1,0
+Cc1n[nH]c2ccc(-c3nnc(NCC(N)Cc4cccc(C(F)(F)F)c4)s3)cc12,1
+CCOC(=O)C1=C(C[NH+]2CCCN(C(=O)C3CCC3)CC2)N(CC)C(=O)NC1c1cc(C)ccc1C,0
+COc1ccccc1C1(O)CC[NH+](CC(O)c2ccc(C(C)(C)C)cc2)CC1,0
+Cc1ccc(S(=O)(=O)CNC(=O)C(c2c(O)cc(O)cc2O)N(C=O)c2ccccc2Cl)cc1,0
+COc1ccc2c(n1)-c1nc(-c3ccc(C4(N)CC(C)(O)C4)cc3)c(-c3ccccc3)n1CO2,1
+C[NH+](C)CC(=O)N1CCN(C(=O)C2CCC([NH3+])CC2)CC1,0
+CC1CC[NH+](CCCNC(=O)Cc2ccc(N=C3NC4CS(=O)(=O)CC4S3)cc2)CC1,0
+CC12C(=O)C(C(c3ccccc3)NC1c1ccccc1)C(c1ccccc1)[NH2+]C2c1ccccc1,0
+CCCCNC(=O)NC(=O)C(C)[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1,0
+CCc1ccc(C(C)NC(=O)C2CN(C(=O)c3ccccc3Cl)CC23CC[NH2+]CC3)cc1,0
+CCc1ccc(C([NH2+]CC(=O)Nc2oc(C)c3c(C)n[nH]c(=O)c23)C(C)C)cc1,0
+CCC(CC)C(=O)N1CC(C(=O)NCC2CN(Cc3ccccc3)CCO2)C2(CC[NH2+]CC2)C1,0
+CCn1cc(NC(=S)Nc2sc3c(c2C(=O)OC)CCC(C)C3)c(C(N)=O)n1,0
+CC1Cc2c(ccc(F)c2F)N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)[nH]1,1
+NC(=O)C1([NH2+]Cc2cccs2)CCSc2ccccc21,0
+Clc1ccc(N2C(SCc3nc4ccccc4[nH]3)NNC2c2cc[nH+]cc2)cc1,0
+COc1cc(C)c(S(=O)(=O)Nc2ccc(Nc3nc(C)cc(Nc4ccc(C)cc4)n3)cc2)cc1C,0
+CCC[NH+](Cc1nc2scc(-c3ccccc3C)c2c(=O)[nH]1)CC(O)COC(C)(C)C,0
+CCC([NH2+]CCS(N)(=O)=O)c1ccc(Cl)c(Cl)c1,0
+Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1nc2ccccc2[nH]1,0
+CCN(C(=O)C[NH+](Cc1cccs1)CC1CCCO1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,0
+Cc1nc2ccccc2n1C1CCN(Cc2ccc(-c3nc4ncnc(N)c4cc3-c3ccccc3)cc2)CC1,1
+CC(C)c1ccccc1NC(=O)C1CC(O)C[NH2+]1,0
+CCOC(=O)C1CCCN1S(=O)(=O)NC1CCCCC1[NH3+],0
+CCC(c1nnnn1C1CCCCC1)[NH+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O,0
+C#Cc1cccc(NC(=S)NNC(=O)CNC(=O)CC2CCCC2)c1,0
+CC1(C)CC(N(Cc2ccncc2)C(=S)Nc2ccc(Br)cc2)CC(C)(C)[NH2+]1,0
+OCCN1CC[NH+](C(c2ccccc2Cl)c2sc3nc(-c4ccco4)nn3c2O)CC1,0
+[NH3+]C(c1ccccc1)C(NS(=O)(=O)c1ccc(O)cc1)c1ccccc1,0
+C[NH+]1CCCC(NS(=O)(=O)c2cc(Cl)cc(N)c2Br)C1,0
+COc1ccc(C2CC(c3ccc(I)cc3)N=C3[NH+]=CNN32)c(OC)c1OC,0
+Cc1ccc(-n2nc(C)c3c(C)c(CCC(=O)NCCC4=c5ccccc5=[NH+]C4)c(C)nc32)cc1,0
+C[NH2+]CC1CCC[NH+](C(C)(C(=O)[O-])c2cccc(Br)c2)C1,0
+CC[NH+]1CCN(Cc2c(-c3ccc(OC(C)C)cc3)[nH+]c3ccc(N)cn23)CC1,0
+Cc1ccc(C(CNC(=O)COc2ccc(CC(N)=O)cc2)[NH+]2CCCC2)cc1,0
+CC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1CCN(Cc2ccc(Cl)s2)CC1,0
+NS(=O)(=O)c1ccc(NC(NC(=O)c2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)cc1,0
+CC1C(c2ccc(N(C)C)cc2)[NH2+]C(c2ccc(N(C)C)cc2)C(C)C1O,0
+COC(=O)C1Cc2c([nH]c3ccccc23)C2CC([NH2+]C(C)C)CC(c3ccc(F)c(F)c3)N12,0
+Cc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+CCOc1ccc(C2C3=C(CCCC3=O)NC3=NC(=O)NC(=O)C32)cc1,0
+Cc1ccc(Cl)c2sc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(C)C(C)C)cc3)nc12,0
+OC(C[NH2+]CCc1ccccc1)CN1c2ccccc2Sc2ccccc21,0
+CC1CC(C)C[NH+](Cc2ccccc2CNC(N)=[NH+]CC2CCCO2)C1,0
+O=C(NCCC[NH2+]C1CCCCC1)NCc1cccc(OC(F)F)c1,0
+CC(C)C[NH+](CC(=O)Nc1c(N)cc(Cl)cc1Cl)C1CC1,0
+Cc1ccc2nc(-c3ccc(NC(=O)C(C)[NH+](C)CC(N)=O)cc3)sc2c1,0
+OC(C[NH+]1CCC2(CC1)CC(O)c1ccc3ccccc3c1O2)c1ccc(F)c(F)c1,0
+CN(Cc1ccccc1C[NH3+])C(=O)CC1CC2CCC1C2,0
+CCc1cc(C2=N[NH+]=C(N)C2c2nc(C)cs2)c(O)cc1OCc1ccccc1,0
+O=c1ccc(-c2cc(C3CCN(Cc4ccc(-c5nc6ncccc6cc5-c5ccccc5)cc4)CC3)n[nH]2)c[nH]1,1
+CC1CN(S(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)CC(C)O1,0
+CCC(C)CC(=O)N1CC(C(=O)NC(C)CCCC(C)(C)O)C2(CC[NH2+]CC2)C1,0
+CC(C)(C)C([NH3+])C(=O)Nc1cc(Cl)c(OC(F)F)c(Cl)c1,0
+Cn1c(=O)[nH]c2ccc(-c3cnc(NCC(N)Cc4ccc(C(F)(F)F)cc4)s3)cc21,1
+Cc1n[nH]c2ccc(-c3nnc(NCC(N)Cc4ccc(C(F)(F)F)cc4)s3)cc12,1
+Cc1ccsc1C(=O)NNC(=O)NCC(c1ccco1)[NH+]1CCCCC1,0
+NS(=O)(=O)c1cc2c(cc1Cl)NC(c1cccc(Cl)c1Cl)NS2(=O)=O,0
+O=C(NN=Cc1ccccc1OC(=O)c1sc2ccccc2c1Cl)C(=O)Nc1ccccc1Cl,0
+CC(C)C(C(=O)NCC[NH3+])n1cc(N2CCCCCC2)ccc1=O,0
+COc1ccc(Nc2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)s2)cc1,0
+CC1CCCC[NH+]1CC(=O)Nc1ccc(F)c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1,0
+NC(=O)c1cc(N2CCn3cc[nH+]c3C2)c(F)cc1N,0
+NC(CNc1nnc(-c2ccc3[nH]nc(-c4ccccc4)c3c2)s1)Cc1cccc(C(F)(F)F)c1,1
+CC(=O)NCC1CCC[NH+](C(C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)C1,0
+NCCCOc1cc2c(c(-c3ccc(Nc4nc5ccc(Cl)cc5o4)cc3)c1)CNC2=O,1
+NCC(NC(=O)c1cc(-c2ccccc2)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1,1
+CCOc1ccc(C(O)(C(C)C)C(C[NH+]2CCCC2)Oc2ccc(Cl)cc2C)cc1,0
+NC1(c2ccc(-c3nc4c5cc(-c6ccc(F)c(CO)c6)ccc5nn4cc3-c3ccccc3)cc2)CCC1,1
+CC(Oc1ccccc1F)C(=O)NNC(=O)NCc1cc[nH+]c(N(C)C)c1,0
+NC(=O)CSc1ccccc1NC(=O)C[NH+]1CCCC1c1ccc2c(c1)OCCO2,0
+NS(=O)(=O)c1cccc(C[NH2+]Cc2cccc(Br)c2O)c1,0
+NC(=O)CSc1nnc2c3c(-c4ccc(Cl)cc4)csc3n3c(SCC(N)=O)nnc3n12,0
+CC1Cc2c(ccc(F)c2F)N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=S)[nH]1,1
+CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)c2ccc(C(F)(F)F)cc2)CC12CC[NH2+]CC2,0
+O=C1NC2(CCc3ccccc32)C(=O)N1CC(=O)N1CCCC2CCCCC21,0
+Cc1cnc2c(c1)nc(-c1cccnc1N)n2-c1ccc(CN)cc1.Cl,1
+COc1ccc(-n2ccc(CNC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)n2)cc1,0
+N#CC(=Cc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(S(N)(=O)=O)cc1,0
+COC(=O)C=Cc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1,1
+CC(CC[NH+](C)C)NS(=O)(=O)c1cc(Br)cnc1N,0
+CCCCn1c(N)c(N(C(=O)C[NH+](C)CC(=O)NCCC)C2CCCC2)c(=O)[nH]c1=O,0
+CC(C)C(C(=O)NCCC1=c2cc(F)ccc2=[NH+]C1)N1NNc2ccccc2C1=O,0
+C[NH+](C)CCC(CSc1ccccc1)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-],0
+CC(NC(=S)NCCc1ccccc1)C(c1cccs1)[NH+]1CCCC1,0
+CSCCC(NC(=O)C1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc(C(C)C)cc1,0
+Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl,1
+Nc1c(C=Cc2cc3cc(C4=[NH+]CCN4)ccc3o2)[nH]c2cc(C3=[NH+]CCN3)ccc12,0
+CCCCC[NH+](C(C)C)C(C[NH3+])c1ccc(OC)c(Br)c1,0
+NC(=O)C([NH3+])CSc1nnnn1C1CCCC1,0
+CCOc1ccc(NC(=O)CSc2nc3n[nH]c(C)c3c(=[NH2+])n2-c2cccc(C)c2)cc1,0
+CC[NH+]1CCCC(CNC(=O)CN2C(=O)NC3(CCc4ccccc43)C2=O)C1,0
+CCOC(=O)C1=C(C[NH+]2CCCN(C(=O)NC(C)C)CC2)N(C)C(=O)NC1c1cccc(OC)c1OC,0
+CCOc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2nc3ccc(CC)cc3s2)cc1,0
+CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)NCC(c1cccs1)[NH+](C)C,0
+CCC[NH+](CC(=O)Nc1ccccc1C)CC(=O)NN1C(=O)NC2(CCCCC2)C1=O,0
+O=C1CC2OC(c3cccc(O)c3)C3=C(C(=O)c4ccccc4C3=O)C2O1,1
+O=C(NCC1CCCC(CNC(=O)NCC2COc3ccccc3O2)C1)NCC1COc2ccccc2O1,0
+COc1ccc(N2CC[NH+](CCCN3CC(=O)C(c4nc5ccccc5s4)=C3N)CC2)cc1,0
+COC(=O)C1CC2=c3ccccc3=[NH+]C2C(c2ccc(OC)cc2)N1C(=O)Nc1ccc(OC)cc1OC,0
+O=c1c2c3c(sc2ncn1CCc1ccccn1)CC([NH2+]CC1(c2ccccc2)CCCC1)CC3,0
+Cc1ccc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4C(N)=O)CC3)n2)cc1C(F)(F)F,1
+O=C(NCCC1=c2ccccc2=[NH+]C1)C1CCN(C2Nc3[nH+]cccc3N3CC=CC23)CC1,0
+O=c1cc(CN2CCC3(CC2)OCCO3)c2cc(Cl)c(O)cc2o1,0
+[NH2+]=C1Nc2nc3ccccc3n2C(c2ccccc2OCc2cccnc2)N1,0
+C[NH+](C)CCn1cc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cn1,0
+Cc1n[nH]c2ccc(-c3nnc(NCC(N)Cc4ccc(C(F)(F)F)cc4)s3)cc12,1
+O=S(=O)(Nc1cc(-c2ccc3nccn3c2)cnc1Cl)c1ccc(F)cc1,1
+N#Cc1c(NC(=O)C[NH+](CC(N)=O)C2CCCC2)sc2c1CCCCC2,0
+Cc1ccc(Cl)c(NC(=S)N(Cc2ccccc2F)C2CC(C)(C)[NH2+]C(C)(C)C2)c1,0
+C=CCOc1ccc(C2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4OC)ccc32)cc1OC,0
+CN(C)CC(=O)N1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC1,1
+Cl.Cn1nccc1-c1cc(F)c(C(=O)NC2CNCCC2c2ccc(F)c(F)c2)cc1F,1
+Nc1nn(CCO)c2nc(-c3ccc(CN4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)c(-c3ccccc3)cc12,1
+Cc1ccsc1C(=O)NNC(=O)NCC(C)C[NH+]1CCCCC1,0
+Cn1ncc(Cl)c1-c1c(Cl)c(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CCNCC2)n(C)c1Cl,1
+CCc1ccc(NC(=S)N(Cc2ccc(OC)cc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1,0
+Cc1ccc(C[NH+](CC(=O)NCc2ccc(S(N)(=O)=O)cc2)C2CCc3ccccc32)cc1,0
+Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1C=NNC(=O)C([NH3+])CC(C)C,0
+COc1ccc(C(C)[NH2+]C(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1F,0
+CC(C)C(Sc1nnc(C(C)[NH+](C)C)n1-c1ccc(Cl)cc1)C(=O)NC(N)=O,0
+CC(C#N)(NC(=O)CN1C(=O)NC2(CCCc3ccccc32)C1=O)C1CC1,0
+COc1ccc(CN(CC2C=c3cc4c(cc3=[NH+]C2=O)OCCO4)S(=O)(=O)c2ccc(OC)cc2)cc1,0
+CCC([NH3+])C(c1ccc(Br)cc1)N(CC)CC(F)(F)F,0
+C[NH+](C)C(CNC(=O)NCC1(O)CCCc2ccccc21)c1ccco1,0
+CC1Cc2c(ccc(F)c2F)N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(Cc3nnnn3-c3ccccc3)C2=O)cc1,0
+O=C(NCc1ccccc1)c1ccc(-c2ccncc2)cc1,1
+CCC1CCC2(CC1)NC(=O)N(CC(=O)NN1C(=O)NC(C)(CCc3ccccc3)C1=O)C2=O,0
+C[NH+](C)CCCN(C(=O)CCS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc([N+](=O)[O-])cc2s1,0
+CC1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)NC(C)(c4ccc5ccccc5c4)C3=O)CC2)cc1,0
+CCC(CO)[NH2+]CC(O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21,0
+NCC(NC(=O)c1ccc(-c2c[nH]c3ncccc23)s1)c1ccccc1,1
+C[NH+](CCCNC(=O)CCCCC1SCC2NC(=O)NC21)C1CCCCC1,0
+CCC1SCc2ncnc(N3CCN(C(=O)C(N)Cc4ccc(Cl)cc4)CC3)c21,1
+Cc1cccc(-c2nc(C3CN(Cc4ccc(-c5nc6nc(C)cn6c(NC(C)C)c5-c5ccccc5)cc4)C3)n[nH]2)n1,1
+[NH3+]C1CCc2c(OCCOc3ccc(Br)cc3)cccc21,0
+O=C(Nc1ccccc1C(F)(F)F)Nc1c(O)oc2ccccc2c1=[NH+]C1CCCC1,0
+NC(=O)C1NC(CC2=c3ccccc3=[NH+]C2)NO1,0
+COc1cc(NC(=O)NC2C3CCCC2C[NH+](C2CC2)C3)ccc1NC(C)=O,0
+CCn1c(-c2nonc2N)nc2c(C#CC3CC3)ncc(OCCCN)c21,1
+COc1cccc(-c2nc(NCC3CCCO3)nc3[nH+]n(-c4ccc(C(C)C)cc4)c(N)c23)c1,0
+CCOc1cccc2cc(C(=O)Nc3ccc(C)cc3)c(=[NH+]c3ccc(S(N)(=O)=O)cc3)oc12,0
+O=C1C2Cc3c([nH]c4ccccc34)CN2C(=O)CN1N=Cc1cccc(F)c1,0
+Cn1cccc1C(=O)NNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3,0
+NC1(c2ccc(-n3c(-c4ccccc4)nc4ccc(Nc5ccccc5)nc43)cc2)CCC1,1
+C[NH+](C)CCN(Cc1ccccc1)C(=O)C1CCN(c2cccc3c2C(=O)N(CC2CCCO2)C3=O)CC1,0
+CCOc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCNC(C)C)CC1,1
+CC1CC(C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2nncs2)C1,0
+Cn1cc(S(=O)(=O)NC(C)(C)C[NH3+])c(=O)n(C)c1=O,0
+Cc1ccc(NC(=O)NC2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1,1
+CNc1ccc(C(C)(C)C(=O)NC2C3CC4CC2CC(C(N)=O)(C4)C3)c[nH+]1,0
+C=CCNC(=S)N1N=C2C(=Cc3ccc(OC)cc3)CCCC2C1c1ccc(OC)cc1,0
+COc1ccc(C=C2Oc3c(C[NH+]4CCN(c5ccccc5F)CC4)c(O)cc(C)c3C2=O)cc1OC,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4cc(F)cc(C(F)(F)F)c4)c3)cc12,1
+CCC(C)C(=O)N1CC(C(=O)NC(C)c2nc3ccc(C)cc3[nH]2)C2(CC[NH2+]CC2)C1,0
+CC(C)Oc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CC2CNC2)CC1,1
+CC1CCCC[NH+]1CCCNC(=O)C1CN(C(=O)C2CCC2)CC12CC[NH2+]CC2,0
+N#Cc1cccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12,1
+CC(c1cccc(O)c1)N(C)C(=O)NCC(c1cccs1)[NH+]1CCCC1,0
+COC(=O)C1Cc2c([nH]c3ccccc23)C2CC([NH2+]C(C)C)CC(c3ccc(F)cc3)N12,0
+NC(=[NH2+])SCCCOc1cccc(I)c1,0
+CC(C)Cc1ccc(C(CNc2ccccc2O)N2CC[NH2+]C(S(=O)(=O)Oc3ccccc3)C2)cc1,0
+O=S(=O)(Oc1ccccc1)c1ccc(N2CC[NH2+]C(c3ccccc3O)C2)c(-c2ccccc2)c1,0
+CNC(=O)c1cccc(NC(=O)NCC2CCC[NH+](Cc3cccs3)C2)c1,0
+CCC[NH2+]C(COc1c(F)c(F)c(F)c(F)c1F)C(N)=O,0
+CC(C)NC(=O)C1CC(NCc2ccccc2O)C[NH+]1Cc1cccc(Cl)c1,0
+NC(=O)C1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[NH+](C(C)C)C3)cc1,0
+Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccco4)C3c3ccc(O)cc3)s2)cc1,0
+CCCCCCc1cc2cc(C(N)=O)c(=[NH+]c3ccc(Br)cc3)oc2cc1O,0
+COc1ccc(COc2ccn3c(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nc3n2)cn1,1
+COC(=O)C[NH+]1C(c2ccc(Cl)cc2)Nc2ccc(Br)cc2C1c1ccccc1,0
+CC(C(=O)Nc1c(Cl)cc(N)cc1Cl)[NH+](C)CC(C)(C)C,0
+O=C(CN1C(=O)C2CCCCC2C1=O)N1CCCSC1=Nc1ccccc1,0
+CCC([NH3+])C(c1ccc(Br)s1)[NH+](C)CC(=O)N(C)C,0
+CC(c1nc(N)nc(N(C)C)n1)[NH+]1CCC(C(O)c2ccc(Cl)cc2)CC1,0
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,1
+Cc1cc(NC(=O)NNC(=O)C(C)Oc2ccc(F)cc2)n(C)n1,0
+Cc1cc(=O)c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nn1-c1ccccc1,0
+CC(=O)c1ccc(NC(=O)CSc2nc(-c3cccs3)nc3c2c(=O)n(C)c(=O)n3C)cc1,0
+CCc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12,1
+Cc1ccc(CN(C(=O)CCl)C(C(=O)NC(C)(C)CC(C)(C)C)c2c(O)cc(O)cc2O)o1,0
+CC1SCc2ncnc(N3CCN(C(=O)C(N)Cc4ccc(F)c(F)c4)CC3)c21,1
+NC1(c2ccc(-c3nc4cc(CO)ccn4c3-c3ccccc3)cc2)CCC1,1
+CCOc1ccc(C2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccccc2C)c2ccccc23)cc1,0
+COc1ccc(C(O)(c2ccccc2OC)C(C[NH+]2CCCC2)c2ccc(Cl)cc2)cc1,0
+COc1ccccc1C(CNC(=O)NNC(N)=O)[NH+]1CCCCC1,0
+CC1CCN(S(=O)(=O)NC2(C[NH3+])CCCCCCC2)CC1,0
+Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2C#N)CC1,1
+COc1cc(Cl)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12,1
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cccc(OC2CCCC2)c1,1
+c1ccc2c(c1)CCC(Nc1nc(Nc3cc[nH+]cc3)nc(N3CC[NH2+]CC3)n1)C2,0
+Cc1cc(C(=O)NNC(=O)NCC2CCC[NH+]2CC2CCCCC2)c(C)o1,0
+C[NH+](CC(=O)Nc1ccc(N)cc1Br)Cc1ccsc1,0
+[NH2+]=C1Nc2nc3ccccc3n2C(c2cccc(OCc3ccccc3)c2)N1,0
+CN1CCCc2cc(CNC(=O)c3ccc(CN4CC[NH+](C56CC7CC(CC(C7)C5)C6)CC4)[nH]c3=O)ccc21,0
+CC(C)CC([NH3+])CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O,0
+CCOc1ccccc1C1N=C(c2ccc(Br)cc2)CC(c2cccc(OCC)c2O)[NH2+]1,0
+C[NH+](CCCCC(N)=NO)Cc1cccc(Br)c1,0
+CS(=O)(=O)c1ccc2nc(NC(=O)c3csc(NC(=O)Nc4ccc(F)cc4)n3)sc2c1,0
+COc1cc2ncc3c(N)nc(-c4cncc(OCC(N)Cc5ccc(F)cc5)c4)cc3c2cc1OC,1
+COC(=O)Nc1cc(NC(=O)NCC(C)(C)[NH+]2CCCC(C)C2)ccc1F,0
+O=C(NC1NNC(C2CCCCC2)S1)C1CC(=O)N(CCC2=c3cc(Cl)ccc3=[NH+]C2)C1,0
+O=C(C=C1CSC(n2cccc2)N1)NCCC1=c2cc(Cl)ccc2=[NH+]C1,0
+CC(CCc1ccc(OC(C)C)cc1)[NH2+]C(C(N)=O)c1ccc(F)cc1,0
+C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCc1cccc(C(N)=O)c1,0
+CCc1cc2c3c([nH]c2cc1S(=O)(=O)NCC1[NH+]=c2ccc(C)cc2=[NH+]1)CCCC3=O,0
+O=C(NCc1ccccc1Cl)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2nc[nH]c3nccc2-3)CC1,1
+CC(C)=CC(=O)N(c1cccc(Cl)c1)C(C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1cccc(O)c1,0
+CC(C)CCCC1(C)CCc2cc(O)ccc2O1,1
+CNC(=O)C1CN(C(=O)CSC(N)=[NH+]C2CCCCC2)c2ccccc2O1,0
+C[NH+]1CCN(Cc2cc(CC(NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)[O-])ccc2O)CC1,0
+C(=Cc1cncc(OC2CCNC2)c1)c1ccncc1,1
+Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1,0
+COc1cccc2c1OC1(C)CC2NC(=O)N1c1cccc(C(=O)N2CCN(c3cc(C)ccc3C)CC2)c1,0
+Cc1ccc(-n2c(C)cc(C=C3C(=[NH2+])N4N=C(C(C)C)SC4=NC3=O)c2C)c(C)c1,0
+Nn1c(SCC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)nnc1-c1ccco1,0
+CC(C)[NH+](CCNC(=O)C1CN(C(=O)C2COc3ccccc3O2)CC12CC[NH2+]CC2)C(C)C,0
+C[NH+](C)CCNc1nc(-c2ccc(F)cc2F)c2c(N)n(-c3cccc(F)c3)nc2n1,0
+Cc1n[nH]c2ccc(-c3cc(OCC(N)Cc4ccccc4)cnc3-c3ccccc3O)cc12,1
+COc1cccc(NC(=NC(=O)c2ccc(C)cc2)NCCC2=c3ccccc3=[NH+]C2)c1,0
+Cn1ncc(Cl)c1-c1cc(C(=O)NC2CNCC2c2ccc(C(F)(F)F)cc2)oc1Cl,1
+C[NH2+]C1CCc2cc(OC)c(OC)c(OC)c2-c2ccc([NH2+]C(C)c3ccccc3)c(=O)cc21,0
+COc1ccc2c(c1)=C(CCNC(=O)c1ccc3c(c1)OC(CCc1ccccc1)N3)C[NH+]=2,0
+CC(C(=O)Nc1sccc1C(N)=O)[NH+](C)CC(=O)Nc1cc(F)cc(F)c1,0
+NC(Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccnc3cc[nH]c23)CC1,1
+Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CCN3CCCC3)CC2)c1F,1
+O=C(CSc1n[nH]c(NN=Cc2cccc(Cl)c2Cl)n1)Nc1cc(Cl)cc(Cl)c1,0
+Cc1ccc(C(C)[NH2+]CC(=O)Nc2ccccc2Br)o1,0
+CCOC(=O)c1c(NC(=O)N2CC[NH+](CC(=O)Nc3cccc4ccccc34)CC2)sc2c1CCC2,0
+CCCCCCCCCCCCc1ccc(S(=O)(=O)Nc2nncs2)cc1,1
+CC(=O)NCC1CCC[NH+](CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1,0
+NC(COc1cncc(-c2ccc3[nH]nc(-c4ccc[nH]4)c3c2)c1)Cc1c[nH]c2ccccc12,1
+COc1ccc(C(N)=O)cc1NC(=O)NCC(c1ccccc1Cl)[NH+](C)C,0
+CC1CN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC(C)O1,1
+C[NH2+]C1CCCN(C2C(=O)Nc3cc(F)cc(F)c32)C1,0
+CC(C)(C)NC(=O)NC(=O)C[NH+](CC(=O)NC(=O)NC(C)(C)C)C1CC1,0
+CN(C(=O)CSC1NN=C(C2=c3ccccc3=[NH+]C2)O1)C1(c2ccccc2Cl)CCCCC1=O,0
+NC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(F)c3)cn2CCN2CCCC2)CC1,1
+CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)c(C(C)C)c1,0
+CCC(CC)[NH+](C)C(C)C(=O)Nc1c(Cl)cc(N)cc1Cl,0
+N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccnc(F)c3)cn2CCN2CCC2)CC1,1
+NC(=[NH2+])c1c(Cl)cccc1Oc1ccc(F)cc1Br,0
+COC(=O)C1[NH+]=c2ccc(Br)cc2=C1NC(=S)NCc1ccccc1,0
+Cn1ncc(Cl)c1-c1cc(C(=O)NC2CNCCC2c2ccc(F)c(F)c2)oc1Cl,1
+OC(C[NH+]1CCC2(CC1)CC(O)c1cc(F)ccc1O2)c1ccc(Cl)cc1,0
+Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CCN3CCCC3)CC2)c1Cl,1
+CC(C)[NH+]1CCc2c(sc(NC(=O)C=Cc3cccs3)c2C(N)=O)C1,0
+Cc1ccccc1CC(=O)N1CC(C(=O)NC(C)c2ccc(Br)cc2)C2(CC[NH2+]CC2)C1,0
+CC[NH+]1CCc2c([nH]c3ccccc23)C1c1c(O)[nH]c(=O)n(CCC2=CCCCC2)c1=O,0
+CCC([NH3+])C(c1ccc(Br)s1)N(CCO)C1CC1,0
+CC1CCc2c(sc(NC(=O)CN3CC[NH+](C)CC3)c2C(=O)Nc2ccccc2F)C1,0
+CC(C)CN(CC[NH+](C)C)C(C[NH3+])c1ccc(F)c(Br)c1,0
+CCOC(=O)c1c(N)c(=Cc2ccc(O)cc2)c2n1C(=O)C(c1ccc(O)cc1)SC=2C(=O)OC,0
+CC[NH2+]C(C)c1cc(Br)ccc1OC1CCCCNC1=O,0
+COc1cccc(C2CC(c3ccccc3)Nc3nc(N)nn32)c1,0
+CCOc1ccc2nc(NC(=[NH2+])NC(=S)Nc3cccc(C)c3)nc(C)c2c1,0
+CC(C)(C)c1cc(C2CSCC(C(=O)NCC3CCCO3)[NH2+]2)cc(C(C)(C)C)c1O,0
+CCOC(=O)NC(CC1=c2ccccc2=[NH+]C1)C(=O)Nc1ccc(C2Nc3ccc(C)cc3S2)cc1,0
+O=C(NCCNc1ccccc1)C1CN(C(=O)CCC2CCCC2)CC12CC[NH2+]CC2,0
+N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccnc(C(F)(F)F)c3)cn2CCN2CCC2)CC1,1
+COc1ccccc1C(CNC(=O)NNC(=O)CCC(C)C)[NH+]1CCCCC1,0
+C=CCC(O)(CC=C)CNC(=O)CC1C(=O)NCC[NH+]1Cc1ccc(F)c(F)c1,0
+OCCNC(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1,1
+COc1cc(C2[NH+]=C(N)Nc3nc4cc5c(cc4n32)OCCCO5)ccc1OCc1c(C)noc1C,0
+CC(C)[NH+](C)CC(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1,0
+CC(c1ccccc1F)N(C)c1ccc(Cl)cc1C(N)=[NH2+],0
+COc1ccccc1C1N=[NH+]C(=S)N1N=Cc1cc(Br)cc(Br)c1O,0
+CCC([NH3+])C(OCC1CCOC1)c1ccc(Br)s1,0
+NC1(c2ccc(-c3nc4c5ccc(-c6ccc(F)cc6)cc5nn4cc3-c3ccccc3)cc2)CCC1,1
+Cc1ccc(Nc2nc(N)nc(CN3CC[NH+](CC=Cc4ccccc4)CC3)n2)cc1,0
+CCOc1cc(C[NH2+]CC(C)O)cc(Br)c1OCc1ccc(F)cc1Cl,0
+O=C(CNC(=O)NCC(c1cccs1)[NH+]1CCCC1)Nc1ccc(Cl)cc1,0
+COc1ccc(C)cc1C(C)[NH2+]C(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1ccc(F)c(C(=O)O)c1,1
+CCCCOc1ccc(NC(=O)NCC(O)C[NH+]2CCC(C)CC2)c(C)c1,0
+CC(OC(=O)c1cc(Br)cc(Br)c1N)C(N)=O,0
+C[NH2+]C(C)c1ccc(Sc2nc(N)cc(=O)[nH]2)c(Br)c1,0
+CC1CCCC[NH+]1CCCCNC(=O)C(=O)Nc1sccc1C(N)=O,0
+OC(C[NH2+]C1CCCC1)Cn1c2c(c3cccc(Cl)c31)CCCC2,0
+CC(c1cccc(S(N)(=O)=O)c1)[NH+](C)CC(=O)Nc1ccccc1C(=O)NCc1ccco1,0
+CC(NC(=O)C1CN(C(=O)c2cccc(N(C)C)c2)CC12CC[NH2+]CC2)c1ccc(Br)cc1,0
+CC(=O)N1C2CC3CCC2(CS1(=O)=O)C3(C)C,0
+Cn1c(CC(=O)Nc2cc(F)c(F)c(F)c2)nc(N2CCOCC2)cc1=O,1
+C=CCN(C)C(=O)C(C)C1CCC2(C)Cc3sc(Nc4cc(OC)ccc4OC)nc3C(C)C2C1O,0
+Cc1cc(-c2cncc(OCC(N)Cc3c[nH]c4ccccc34)c2)cc2ccncc12,1
+CC(=O)NC(CC1=c2ccccc2=[NH+]C1)C(=O)NCC(=O)Nc1ccccc1Br,0
+[NH3+]Cc1cn(CC2CCC[NH+](Cc3cc(=O)n4c5c(cccc35)CCC4)C2)nn1,0
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,1
+CCOc1ccc(-n2c(=S)[nH]c([O-])c(C=Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2=O)cc1,0
+Cc1ccc(NC2[NH+]=c3ccccc3=[NH+]C2=NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1Cl,0
+Cc1ccsc1C[NH+](C)CC(=O)Nc1sc2c(c1C(N)=O)CCC2,0
+CC1(C)CC2(CC(C)(C)[NH2+]1)OC(=O)N(CC(O)c1ccccc1)C2(C)O,0
+C[NH+]1C2CCC1CC(CNc1ccc(S(N)(=O)=O)cc1)C2,0
+COc1cccc(N(C2CC[NH+](Cc3cccc(OC)c3O)CC2)S(=O)(=O)c2ccc(C)cc2)c1,0
+O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1C[NH2+]CC1C(=O)NCC1CCCO1,0
+CC(C)(CO)[NH2+]CC(O)CON=C1c2ccccc2-c2ccccc21,0
+CC1CCCC[NH+]1CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(Cl)c1)CCC(C(C)(C)C)C2,0
+Cn1cc(S(=O)(=O)NCC(c2ccccc2Cl)[NH+](C)C)cc1C(N)=O,0
+COc1ccc(C2C(c3ccccc3)=CSC3(SCC[NH3+])CCCCC23)cc1,0
+CCCCN(C(=O)C[NH+](C)C(C)c1ccc(C)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O,0
+CC1CCc2c(sc(NC(=O)C[NH+]3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)c2C(N)=O)C1,0
+O=S(=O)(c1c(Cl)cccc1Cl)N1CCCC1c1ccc2c(c1)OCCO2,0
+CC1CC(NC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)CC(C)[NH2+]1,0
+CC(C)CN(CC(N)=O)c1c(N)c[nH+]c2ccc(Br)cc12,0
+CNC(=O)NC(=O)C(C)[NH+](C)CC(=O)Nc1ccccc1Br,0
+COc1cccc(-c2cc(C(=O)N3CCN(C(=O)Nc4ccccc4OC)CC3)c(C)n2-c2ccccc2)c1,0
+Nc1ncccc1-c1nc2cc(Br)cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,1
+CC(CC#N)Sc1ccccc1NC(=O)NCC[NH+]1CCCCC1C,0
+COc1ccc2c(c1)=[NH+]CC=2CCNC(=O)CSC1N[NH2+]NN1c1ccc(Br)cc1,0
+COc1ccc(OC)c(C2CCC[NH+]2Cc2nc(N)nc(Nc3ccc(C)cc3)n2)c1,0
+Cc1cc(-c2csc(Nc3ccc(F)c(Cl)c3)n2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O,0
+Cn1c(CC(=O)N2CC3(CCNCC3)c3ccccc32)nc(N2CCOCC2)cc1=O,1
+NC(=O)c1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(c5nnc(-c6ccccn6)[nH]5)CC4)cc3)nc2n1,1
+CN(Cc1cc(Br)cs1)C(C)(C[NH3+])CCc1ccccc1,0
+CNC(=O)C(C)NC(=O)C1CCCCC1C(=O)[O-],0
+CC(C)(C)c1ccc(-c2nnc(SCC[NH2+]CCO)n2-c2ccc(Cl)cc2)cc1,0
+C=CCC1(O)C(C)C(c2cc(OC)ccc2OC)[NH2+]C(c2cc(OC)ccc2OC)C1C,0
+Cc1ccc(S(=O)(=O)CNC(=O)C(c2ccc(O)cc2)N(C(=O)CO)c2cccc(Cl)c2)cc1,0
+O=C(NCCNC(=O)C1C=c2ccccc2=[NH+]1)C(=O)Nc1nccs1,0
+CCOC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2c1CC(C)(C)[NH2+]C2(C)C,0
+O=C(NCCCc1ccccc1)C1CN(C(=O)c2ccc(-c3ccccc3)o2)CC12CC[NH2+]CC2,0
+CCOc1ccc(C(O)(c2ccccc2OC)C(C[NH+]2CCCC2)Oc2ccc(Cl)cc2C)cc1,0
+O=C(CN1CCN(C2C=NN(c3ccccc3)C(=O)C2Cl)CC1)NCCC1=c2ccccc2=[NH+]C1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2c(F)cccc21,1
+CC([NH3+])C(c1ccccc1Cl)N(C)CC1CCCO1,0
+CC(C)c1ccc(OCC(O)CNC2CC(C)(C)[NH2+]C(C)(C)C2)cc1,0
+C[NH+]1CCC(Nc2ccc3c(c2)NC(=O)CS3)C1,0
+CCOc1c(N)ncnc1N1CCC(c2nc(-c3ccnc(C(F)(F)F)c3)cn2CCN2CCC2)CC1,1
+CCSC1(SCC)[NH+]=C(N)C2(C#N)C(c3ccccc3)[NH2+]C3=C(CCC3)C12C#N,0
+COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C4([NH+](C)CCO)CC4)cc2)CC3)cc1,0
+CNc1c(-c2ccccc2)c(-c2ccc(CN3CC(c4n[nH]c(-c5ccccn5)n4)C3)cc2)nc2ncc(Br)n12,1
+CCCCCCCCCCCCc1ccc(S(=O)(=O)Nc2nnc(CC)s2)cc1,1
+Cc1ccc(Cl)cc1NC(=O)C(C)[NH+]1CCCC(CNC(=O)C(C)C)C1,0
+C[NH+](CC(=O)Nc1ccccc1C(N)=S)Cc1ccsc1,0
+NC(=O)c1c(N)c(C(=O)c2ccc(Br)cc2)n2ccccc12,0
+O=C1NC(c2ccccc2)C(C(=O)c2ccccc2)C(O)(C(F)(F)C(F)F)N1,0
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CNCCC(=O)c4ccccc4N)cc3)nc2n1,1
+Cc1ccc(NC(=[NH2+])Nc2nc(O)cc(CSc3ccc(C)cc3)n2)cc1,0
+COCCCNC(=O)C1NC(CC2=c3ccccc3=[NH+]C2)NO1,0
+NCC(c1ccccc1)c1cncc(C=Cc2ccncc2)c1,1
+COc1ccc(C[NH2+]Cc2csc(C)n2)cc1OCC(O)C[NH+](C)C(C)C,0
+COC(=O)C1=CN(C2CC(C(=O)NCCC3=c4ccccc4=[NH+]C3)N(Cc3cccs3)C2)NN1,0
+CCOc1cc(C[NH2+]C(C)(C)C)cc(Br)c1OCC(N)=O,0
+CC1Cc2c(ccc(F)c2Cl)N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+Nc1nc(CN2CCc3cc(S(N)(=O)=O)ccc32)nc2sc3c(c12)CCCCC3,0
+COc1cccc(NC2[NH+]=c3ccccc3=[NH+]C2=NS(=O)(=O)c2cc(Cl)ccc2Cl)c1,0
+O=C(N=c1[nH]c(C[NH+]2CCCC2)cs1)c1ccc[nH]c1=O,0
+CCOC(=O)CCNC(=O)C1CN(C(=O)CCc2ccc(OC)cc2)CC12CC[NH2+]CC2,0
+N#Cc1ccc(-c2ccc3nn4cc(-c5ccccc5)c(-c5ccc(C6(N)CCC6)cc5)nc4c3c2)cc1,1
+CC(C)c1cc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4Br)CC3)n2)ccn1,1
+CON1C(=O)C2(CCCCC2)C2=NOC3C(Br)CCCC231,0
+COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)C(C#N)=Cc3ccccc3)c2)cc1,0
+O=C(NCCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccccc1,1
+O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23,1
+Cc1ccc(SCC(=O)NNC(=O)NCCCC[NH+]2CCCCC2C)cc1,0
+CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)C3c2cccc(Br)c2)cc1,0
+CC(C(=O)NC(N)=O)N1CC[NH+](CC(=O)N2CCCCC2C)CC1,0
+O=C(Nc1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)c1cccc(Cl)c1,0
+COc1ccc(Nc2c(N)c[nH+]c3ccc(Br)cc23)cc1,0
+CCCCCNC(=O)C(C)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1,0
+Cc1oc(C)c(S(=O)(=O)NC2(C)CCCCC2)c1C(=O)[O-],0
+CNS(=O)(=O)c1cccc(C(C)[NH2+]CC2=Cc3cc(Cl)ccc3OC2)c1,0
+O=C1N(Cc2ccc(F)cc2)CCCC1(O)C[NH2+]Cc1ccc(Cl)s1,0
+COc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(c5nnc(-c6ccccn6)[nH]5)CC4)cc3)nc2n1,1
+CC1CCC[NH+](C(C)(C)CNC(=O)NCc2n[nH]c(-c3cccs3)n2)C1,0
+Cc1ccc(C(=O)N2CC(C(=O)NC(C(=O)NC(C)(C)C)C(C)C)C3(CC[NH2+]CC3)C2)cc1,0
+O=C(NCc1nnc2n1CCCCC2)C12CNCC1C[NH+](C1CCCC1)C2,0
+CC1CC(C)C[NH+](C(C)(C)CNC(=O)C2CCC3(CC2)NC(=O)NC3=O)C1,0
+CCN(c1ccccc1)c1nc[nH+]c(Nc2cccc(C)c2C)c1N,0
+COc1cc(NC(=S)N=C(Nc2nc(C)cc(C)n2)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc(OC)c1,0
+Cc1cc2cc(C[NH+](CC3CCCO3)C(c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2cc1C,0
+CC(C)NCCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2C#N)CC1,1
+O=C(NCCOCCO)C1C(O)CCC2C[NH+]3CCc4c([nH]c5ccccc45)C3CC21,0
+CCC(C)[NH+](C)CCNC(=O)NNc1ncc(C(F)(F)F)cc1Cl,0
+CC1CC(C)C[NH+](CCCCNC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1,0
+O=C(CCCN1C(=O)C(=Cc2cccs2)SC1=S)NNC(=O)CSc1nc2ccccc2[nH]1,0
+CC(O)(CNC(=O)C1CCC[NH+]1Cc1ccccc1F)c1ccc(F)cc1,0
+COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc(C)ccc3C)C2c2ccc(O)cc2)nc1C,0
+Cc1sc(CNC(N)=[NH+]CC2CCCO2)nc1-c1ccc(Cl)cc1,0
+COc1ccc(OCC[NH+](C)CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1,0
+CCCCC(C)C(=O)N1CC(C(=O)NC(C(=O)NC(C)(C)C)C(C)C)C2(CC[NH2+]CC2)C1,0
+NC(CNC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1,1
+O=c1[nH]ccc2nc(-c3ccc(CN4CCC(c5nnc(-c6ncccn6)[nH]5)CC4)cc3)c(-c3ccccc3)cc12,1
+Cc1cc(C)cc(C(=O)N(CCC2=CCCCC2)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1,0
+COc1ccc(C[NH2+]CC2(C)COC2)c(OCC(O)C[NH+]2CCCCCCC2)c1,0
+Cc1cc(NC2[NH+]=c3ccccc3=[NH+]C2=NS(=O)(=O)c2cccs2)ccc1Br,0
+CCN(CC)C(=O)CSc1nc(N2CC[NH+](CC(=O)N3CCCC3)CC2)c2c3c(sc2n1)CCCC3,0
+COc1cccc(OC)c1CNc1nc(CC[NH3+])nc2sc(C)c(C)c12,0
+CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cc(C)cc(C)c2)c1NC(=O)C1COc2ccccc2O1,0
+Cc1ccc(NC(=S)N=C(Nc2nc(C)cc(C)n2)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(Cl)c1,0
+Cc1cc(=O)oc2cc(NC(=S)NNC(=O)C(O)(c3ccccc3)c3ccccc3)ccc12,0
+NC(=[NH2+])NS(=O)(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccc(F)cc2)cc1,0
+Cc1ccsc1CN(C(=O)c1ccc(CNC(N)=O)cc1)C(C)C,0
+Cc1ccc2[nH]c3c(=O)n4c(nc3c2c1)SC1CS(=O)(=O)CC14,0
+CCc1ccccc1NC(=S)N=C(Nc1nc(C)cc(C)n1)NC1CC(C)(C)[NH2+]C(C)(C)C1,0
+Cc1ccc(SCCCC(=O)Nc2cc(C)nn2-c2nc3c(Cl)cccc3s2)cc1,0
+Cc1ccc(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NCc2cc(F)cc(F)c2)cc1C,0
+O=C1[NH+]=c2ccccc2=C(O)C1C(c1ccncc1)C1C(=O)[NH+]=c2ccccc2=C1O,0
+CCCn1cc[nH+]c1CNc1ccc(S(N)(=O)=O)cc1Br,0
+Cc1cc(-c2cn(CC3CNC3)c(C3CCN(c4ncnc(N)c4OC(C)C)CC3)n2)ccc1F,1
+Cc1ccc2c(c1)c1c(n2CC(O)C[NH2+]Cc2ccco2)CCCC1,0
+c1ccc(-c2cc(-c3nn[nH]n3)cnc2-c2ccc(CN3CCC(n4cnc5ccccc54)CC3)cc2)cc1,1
+CCCCN(CCO)c1cc(Br)ccc1C[NH2+]C(C)(C)C,0
+C=C(Br)CSC1=Nc2sc3c(c2C([NH3+])N1)CCCC3,0
+NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,1
+Cc1ccc(CNS(=O)(=O)c2ccc(C#CCO)cc2)s1,0
+Cc1ccc(NC(=O)CN2CC[NH+](CCc3nc(N)c4c5c(sc4n3)CC(C)CC5)CC2)cc1,0
+Cc1cc(C)cc(N2C(=O)C(C3NCCC4=c5ccccc5=[NH+]C43)C(O)=NC2O)c1,0
+CCOC(=O)C1CC[NH+](C(c2ccccc2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)CC1,0
+CCS(=O)(=O)NC1CC[NH+](CCC=Cc2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1,0
+Cc1sc(=O)n(CCCC[NH3+])c1-c1ccc2c(c1)NC(=O)CO2,0
+CCOc1ccccc1OC1=CN=[NH+]C1c1ccc(OCc2ccc(Br)cc2)cc1O,0
+COc1cccc(CNC(=O)Nc2ccc(C3C=c4cc(Cl)ccc4=[NH+]3)cc2)c1,0
+NC(NCc1ccc(CN2CCc3ccccc32)cc1)=[NH+]CC1CCCO1,0
+CCCCC(C)C(=O)N1CC(C(=O)NCCc2ccccc2Br)C2(CC[NH2+]CC2)C1,0
+COc1ccc2c(c1)CC(c1nc3c(F)cc(-c4ccnc(N)n4)cc3[nH]1)CO2,1
+COc1cc(-c2[nH+]c3ccc(C)cn3c2Nc2ccc(C(C)C)cc2)ccc1O,0
+CC(C)NC(=O)Nc1ccc(CNC(=O)C[NH+]2CC3CC4CC(C3)CC2C4)cc1,0
+COc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)Nc4ccc([N+](=O)[O-])cc4Cl)cc3N2)cc1,0
+O=C(CN1CCN(C(=O)C2=Cc3cc(Cl)ccc3OC2)CC1)N1CCCCC1,0
+CCC(C)NC(=O)CSc1nc2n[nH]c(C)c2c(=[NH2+])n1-c1cccc(Cl)c1C,0
+O=C(CNc1ccccc1[NH+]1CCC(O)CC1)Nc1cc(C(F)(F)F)ccc1Cl,0
+COc1cccc(C(C)NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1,1
+Cc1cccc(OCCN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1C,0
+NC1(C(=O)NC(CCCN2CCCCC2)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,1
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cccc(OC(F)(F)C(F)F)c1,1
+COC1C[NH+](C(CNc2ccccc2O)c2ccc(Cc3ccccc3)cc2)CCN1,0
+Cc1cc(C)c2[nH+]c(Nc3ccc(C)c(S(N)(=O)=O)c3)cc(C)c2c1,0
+CCCCN(C(=O)C[NH2+]C(Cc1ccccc1)c1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,0
+Cc1nc(N2CCN(c3ccc(N)[nH+]c3)CC2)cc[nH+]1,0
+O=C(NCCc1cn2c([nH+]1)CCCC2)NCC1(O)CCCc2ccccc21,0
+C[NH+](CC(N)=O)CC(=O)Nc1ccccc1Sc1ccc(Cl)cc1,0
+Cc1ccc(C(=O)NC2CC[NH+](C(C)C(=O)NC(=O)NC(C)C)CC2)s1,0
+CCC(C)CNC(=O)C1CSC2(CCN(C(=O)C3CCCCC3)CC2)[NH2+]1,0
+O=C(Nc1ccc([N+](=O)[O-])c(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc(Cl)cc1Cl,0
+O=C(C[NH+]1CCN(C(=O)c2ccccc2Cl)CC1)Nc1cc2c(cc1Br)OCCO2,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12,1
+NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1,1
+NCC(NC(=O)c1cc(-c2c[nH]c3ncccc23)cs1)c1ccccc1,1
+CCOc1ccc(N2C(=O)Nc3ccc(Br)cc3C2(O)C(=O)NCC[NH+](C)C)cc1,0
+Cc1ccc(C(OCC(O)C[NH2+]C(CO)C(O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1,0
+OCC1CCCN(c2nc3cc4c(cc3cc2C[NH2+]CCC2=CCCCC2)OCO4)C1,0
+COC(=O)C1(c2ccccc2)[NH2+]C(c2ccc(N(C)C)cc2)C2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)C21,0
+CCOc1ccc(N2C(=O)Nc3ccc(Br)cc3C2(O)C(=O)NCCC[NH+]2CCCC2)cc1,0
+CC([NH2+]CCN1CC[NH2+]CC1)(C(=O)[O-])c1ccc(Br)cc1,0
+NC1=C(C(=O)c2ccc(Cl)cc2)SC(Nc2ccccc2)C1C1[NH+]=c2ccccc2=[NH+]1,0
+O=C(Nc1cccc(C(F)(F)F)c1)C1C2C(=O)N(c3ccccc3)C(=O)C2C2c3ccccc3C=C[NH+]12,0
+NS(=O)(=O)CC[NH2+]C1CCc2cc(Br)ccc21,0
+CCCCC(C)=NNc1nnc(SCC(=O)Nc2ccc(I)cc2)n1N,0
+O=C(N1CCN(c2ncnc3[nH]cc(Cl)c23)CC1)C1(c2ccc(Cl)c(Cl)c2)CCNCC1,1
+CCCCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br,0
+CCC(C)C(=O)N1CC(C(=O)NCc2c(OC)cc(OC)cc2OC)C2(CC[NH2+]CC2)C1,0
+CCc1c(N)ncnc1N1CCC(c2nc(-c3cccc(F)c3)cn2CCN2CCC2)CC1,1
+CCCC(=O)Nc1nc2ccc(NC(=O)C=Cc3ccc(-c4cccc(Cl)c4Cl)o3)cc2s1,0
+CCOc1ccc(C2=NC(c3ccc(Cl)cc3)[NH2+]C(c3cccc(OCC)c3O)C2)cc1,0
+NC(=O)C1CCC[NH+]1CC(=O)NC(c1ccc(F)cc1)c1cccs1,0
+CCC(CO)[NH2+]Cc1cc(Br)cc(Br)c1OC(C)C,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1ccc(F)c(OC(F)(F)F)c1,1
+Cc1ccc(NC(=O)CCNC(=O)NCC(c2ccco2)[NH+](C)C)c(Cl)c1,0
+Cc1c[nH]c2ncnc(N3CCC(NC(=O)Nc4ccccc4)C3)c12,1
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cccc(I)c1,1
+NC(=O)C1CCC[NH+]1Cc1ccccc1NC(=O)Cc1noc2ccccc12,0
+Cc1cc(NC(=O)C[NH+](Cc2cccc(O)c2)C2CCC(O)CC2)n(C2CCS(=O)(=O)C2)n1,0
+CCCCNC(=O)C(c1ccc(O)cc1)N(C(=O)C(=Cc1ccccc1)c1ccccc1)c1ccccc1,0
+C[NH+](C)CCCNC(=O)CCCCCNC(=O)N1CCc2c([nH]c3ccccc23)C1,0
+Cc1ccc(NC(=O)CSc2nnc(C(C)[NH+](C)C)n2-c2ccc(F)cc2)cc1S(N)(=O)=O,0
+CCOC(=O)C1CCN(C(=O)CN2CC3=C(C2=O)C(c2ccc(OC)cc2)NC(=O)N3CC)CC1,0
+COC(=O)Nc1cc(NCc2cc(=O)n3c(C)csc3[nH+]2)ccc1F,0
+CC([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(Br)cc1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2c(F)cccc21,1
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)c2cccc(Cl)c2)CC12CC[NH2+]CC2,0
+CC(C)C[NH+](CC(=O)Nc1ccc(N)cc1Br)C(C)C,0
+CC1=NN(C(=O)c2ccc(O)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,1
+C[NH2+]C(C)(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1Br,0
+COC(=O)CNC(=O)c1cccc(NC(=O)NCc2cccc(C[NH+](C)C)c2)c1,0
+CC(CCCSc1cccc(Br)c1)([NH2+]C1CC1)C(N)=O,0
+Cc1n[nH]c2ccc(-c3cc(OCC(N)Cc4ccccc4)cnc3-c3cccc(O)c3)cc12,1
+NC(=O)c1cc(Oc2cccc(CO)c2)c(F)cc1N,0
+CC(C)NC(=O)NCc1ccc(C(=O)NCC(c2ccco2)[NH+]2CCCCC2)cc1,0
+Cc1c[nH]c2ncnc(N3CCC(N)C3)c12,1
+NC(=O)C([NH2+]CC1CCCO1)c1ccc(F)c(Br)c1,0
+N#Cc1cc(-c2ccccc2)c(-c2ccc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2)nc1Cl,1
+CC(C(=O)N1CCCC(C(N)=O)C1)N1CCN(C(=O)C[NH+](C)C)CC1,0
+CCCCN1C(=S)NC(=O)C(C2NCCc3c2[nH]c2ccc(OC)cc32)C1O,0
+CC(NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)NNC(=O)CC1=c2ccccc2=[NH+]C1,0
+O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NCCC[NH+]1CCCC1,0
+O=C(Nc1ccc(S(=O)(=O)N2CCC(C3[NH+]=c4ccccc4=[NH+]3)CC2)cc1)c1cccs1,0
+CCOC(=O)c1c(NC(=O)c2ccc3c(c2)C2C4CCC(C4)C2C(c2ccccc2)N3)sc2c1CCCC2,0
+CC(C)[NH+]1CCc2c(sc(NC(=O)CCOc3ccccc3)c2C(N)=O)C1,0
+CC[NH+]1CCc2c(sc(NC(=O)CN3C(=O)CCC3=O)c2C(N)=O)C1,0
+Cc1ccccc1C(=O)NC(C(=O)NCC1CC[NH+](C(C)C)C1)C(C)C,0
+NC(=O)c1cccc2c(NC(CN3CCC3)c3cccc(F)c3)ncnc12,1
+C[NH+](CCCNC(=O)NCc1cccc(S(N)(=O)=O)c1)C1CCCCC1,0
+OC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,1
+C[NH+]1CCN(CC2C[NH+]3CCC2CC3CNC(=S)NCc2ccco2)CC1,0
+Cc1ccc(NC(=O)C[NH+]2CCC3CCCCC3C2)cc1S(N)(=O)=O,0
+O=C(CC1[NH2+]C2CCCCC2NC1=O)NCCc1ccccc1,0
+CCN(CC)c1ccc(C(C[NH3+])N2CCc3ccccc3C2)cc1,0
+O=C1CC2OC(COCc3ccccc3)C3=C(C(=O)c4ccccc4C3=O)C2O1,1
+CCOC(=O)c1ccc(NC(=O)CSC2NNC(C3C=C(c4ccc(Cl)cc4)N=N3)N2N)cc1,0
+Cn1nc(C(=O)NCc2ccccc2F)c2c1CCC([NH2+]CC(C)(C)CO)C2,0
+CC(c1nc(N)nc(N(C)C)n1)N1CC[NH+](CC(=O)N2CCCC2)CC1,0
+CC[NH+](CC)CCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2C1c1ccc(Br)cc1,0
+NC(COc1cncc(C(=O)Nc2ccncc2)c1)Cc1c[nH]c2ccccc12,1
+Cc1cnc2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nn12,1
+CCOc1cc(C[NH2+]CCNCCO)cc(Cl)c1OCc1c(F)cccc1Cl,0
+Cc1nc(NC(=O)c2sc3[nH+]c4cc5c(cc4cc3c2N)OCO5)sc1C,0
+NS(=O)(=O)c1ccc(NC2CC[NH+](C3CC3)C2)c(Br)c1,0
+CCOc1ccc(C(=O)NC(C(=O)NC2[NH+]=c3ccccc3=[NH+]2)C(C)CC)cc1OCC,0
+Cc1cccc(NC(=O)CN2C(=O)SC(=Cc3ccccc3OCc3ccc(C(=O)[O-])cc3)C2=O)c1,0
+CN(C)c1ccc(C(=O)NCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)cc1,1
+COc1cc(C=NN2C(=S)N=[NH+]C2c2ccc(Cl)cc2Cl)ccc1OCc1ccccc1,0
+COCC=Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2C)CC1,1
+CC1CN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)C(C)CN1,1
+CCOC(=O)c1ccc(-c2ccc(C3NC(=O)NC(O)(C(F)(F)F)C3C(=O)c3ccccc3)o2)cc1,0
+CC(C)(C)OC(=O)NCCc1cccc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1,1
+CCCNC(CC[NH+]1CCC(O)C1)c1ccccc1Br,0
+CCc1cc(Cc2ccccc2)ccc1N1CC[NH2+]C(S(=O)(=O)Oc2ccccc2)C1,0
+COc1cc(C2CC(=O)C3=C(C2)Nc2ccccc2NC3c2ccc(OC(C)=O)cc2)cc(OC)c1OC,0
+OCCN1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC1,1
+O=C(C1CCCc2ccccc21)N1CCCC1c1nnc2ccccn12,0
+COc1ccc2[nH]c3c(c2c1)CC[NH2+]C3c1c(O)n(CC(C)C)c(=O)n(CC(C)C)c1=O,0
+O=C(NCC1OCCc2ccccc21)C1CN(C(=O)c2ccc(-c3ccccc3)o2)CC12CC[NH2+]CC2,0
+O=C1N(Cc2ccc(F)cc2)CCCC1(O)C[NH2+]Cc1n[nH]c2c1CCC2,0
+COc1cc(C2[NH+]=C(N)Nc3nc4cc5c(cc4n32)OCCCO5)cc2c1OCCO2,0
+CNCC(NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1,1
+NC(=C[O-])C(O)C(OC1OC(C(=O)[O-])=CC(O)C1OS(=O)(=O)[O-])C(O)CO,0
+CCc1ccccc1NC(=O)c1c(NC(=O)C[NH+]2CCCCC2C)sc2c1CCC(C(C)(C)C)C2,0
+CCOC(=O)c1cc(Br)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+CCCc1ccc(C(CNOC)N2CC[NH2+]C(c3ccccc3O)C2)cc1,0
+NC(Cc1cccc2ccccc12)C(=O)Nc1cncc(C=Cc2ccncc2)c1,1
+CCOC(=O)c1c[nH+]c2ccccc2c1NCCc1ccc(S(N)(=O)=O)cc1,0
+C[NH+](C)C(CNC(=O)NCCc1ccc(S(N)(=O)=O)s1)c1cccs1,0
+C=CC[NH+](CC=C)C(CNC(=O)Nc1cc(C(=O)NCC)ccc1C)C(C)C,0
+CCOc1cccc(C2CC(c3ccc(C)cc3)=NC(c3cccc(F)c3)[NH2+]2)c1O,0
+CCC([NH3+])C(Sc1n[nH]c(=O)n1C(C)C)c1ccc(Br)s1,0
+Nc1ncccc1-c1nc2ccc(Nc3ccc(N4CCOCC4)cc3)nc2n1-c1ccc(C2(N)CCC2)cc1,1
+Nc1ccc(-n2c(-c3cccnc3N)nc3cccnc32)cc1,1
+O=C(C[NH+]1CCN(Cc2ccccc2Cl)CC1)NN=Cc1ccc(O)cc1O,0
+C=Cc1c(N)ncnc1N1CCC(c2nc(-c3ccnc(C(C)C)c3)cn2CCN2CCC2)CC1,1
+Cc1ccc(-n2cnc(C(=O)N3CC4(C)CC3CC(C)(C)C4)n2)cc1,0
+Cc1ccc(C2CC(C(F)(F)F)N3NC(C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)=CC3=[NH+]2)cc1,0
+Cl.Nc1ncccc1-c1nc2ccc(-c3cccnc3)nc2n1-c1ccc(C2(N)CCC2)cc1,1
+CC(NC(C)c1ccc(Cl)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,0
+NS(=O)(=O)c1cccc(C[NH2+]Cc2cc(F)ccc2F)c1,0
+CCC[NH+](Cc1cc(OC)cc(OC)c1)Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1,0
+Cc1c(NC(=S)[NH+]=Nc2c(O)[nH]c3ccc(Br)cc23)c(=O)n(-c2ccccc2)n1C,0
+CCC(CNC(=O)C(=O)c1c(C)[nH]c2ccccc12)[NH+]1CCc2ccccc2C1,0
+Cc1ccc(C(OCC(O)C[NH2+]C(CO)C(O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1,0
+C=CCOc1cccc(C2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)c1,0
+CNC(=O)NC(=O)CC[NH+](CC(N)=O)C1CCNCC1,0
+COc1cc2c(cc1OC)C(c1c(O)nc(O)n(Cc3ccccc3)c1=O)[NH2+]CC2,0
+C[NH+](CCCNC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1)Cc1ccccc1,0
+Cc1ccc(SCC(=O)NNC(=O)NCC(C)(C)[NH+](C)C)cc1,0
+[NH3+]C1(c2nnnn2-c2ccc3c(c2)OCCO3)CCCCC1,0
+NCC(NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1,1
+Cc1cc(C(C)(C)C)ccc1OCC(O)C[NH2+]C(C)c1ccc(S(N)(=O)=O)cc1,0
+N#Cc1ncc2nc1OCCCCCOc1cc(OCCO)c(Cl)cc1NC(=O)N2,1
+CC(C[NH+](C)Cc1ccc(F)cc1Br)C(N)=NO,0
+CCCCOc1ccc(C(=O)NC(=S)NNC(=O)Cc2ccc(Cl)cc2)cc1Br,0
+CC(=NNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1)c1cccc(Br)c1,0
+CC[NH+](CC)C(CNC(=O)Nc1cccc(Cl)c1F)c1ccsc1,0
+O=C(CC1N=NC(=O)C2C=C(c3ccc(F)cc3)NN12)NCCC1=c2ccccc2=[NH+]C1,0
+CCC1(C)NC(=O)N(NC(=O)CSC2NN=C(C3=c4ccccc4=[NH+]C3)O2)C1=O,0
+COc1cc(CC2[NH2+]CCc3cc(O)c(O)cc32)cc(OC)c1OC,0
+NC1(c2ccc(-c3nc4ccc(-n5cccn5)cn4c3-c3ccccc3)cc2)CCC1,1
+c1ccc(CN2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1,1
+C[NH+](CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)CC(=O)NC(C)(C)C,0
+Cc1ccc(NC(=O)C(=O)NCC(c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)cc1N1CCCC1=O,0
+O=C(N1CCN(c2ncnc3[nH]cc(Cl)c23)CC1)C1(c2cccc(Br)c2)CCNCC1,1
+Nc1cc(Cl)cc(S(=O)(=O)NCCc2ccco2)c1Br,0
+O=C(NC(c1ccc(Cl)c(Cl)c1)C1CCNCC1)c1ccc2cnc(F)cc2c1,1
+c1ccc(Cc2c[nH]c3ncnc(N4CC5(CCNCC5)c5ccccc54)c23)cc1,1
+CCC(C)NC(=O)CCC(=O)Nc1ccc2[nH+]c(N3CC(C)CC(C)C3)cc(C)c2c1,0
+C[NH+]=c1c(NC(=O)Nc2ccc(C)cc2Cl)c(O)oc2ccccc12,0
+COc1ccccc1C1C2=C(CC(C)(C)CC2=O)Nc2[nH]c(=S)nc(N)c21,0
+CCCCNC(=O)C(CC)Sc1nc2n[nH]c(C)c2c(=[NH2+])n1-c1ccc(OC)cc1,0
+CNC(=O)C(CC(C)C)NC1C(=O)Nc2cc(Br)ccc21,0
+CC(CNc1ccc(Br)cc1N)C[NH+]1CCCC1,0
+Cc1cc(O)c(C[NH+]2CCN(c3ccccc3F)CC2)c2c1C(=O)C(=Cc1cccc(Br)c1)O2,0
+C[NH+]1CCCC(CNS(=O)(=O)c2ccc(N)cc2Cl)C1,0
+NC(=O)c1c(NC(=O)C[NH+]2CCc3sccc3C2c2ccccc2)sc2c1CCC2,0
+Cc1ccc(C(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])[NH+](C)C)cc1,0
+Cc1ccc(NC(=O)CCNC(=O)NCC(C)[NH+]2CCCC(C)C2)c(Cl)c1,0
+Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)NNC(=O)CCCOc2ccc(Cl)cc2C)c1,0
+COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CC[NH+]5CCCC5)CC4)cc2)CC3)cc1,0
+Cc1ccc2c(c1C)NC(=O)C21[NH2+]C(CCC(N)=O)C2C(=O)N(Cc3ccccc3Cl)C(=O)C21,0
+Cc1ccc(C(OCC(O)C[NH2+]C(CO)C(O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1,0
+CC(=C1C(=O)Nc2ccc(NC(N)=O)cc21)c1ccc[nH]1,1
+O=C(Nc1cc(C(F)(F)F)ccc1Cl)C([NH2+]Cc1ccc2c(c1)OCO2)c1ccccc1,0
+CCC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,1
+Cc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)CSc3ccc([N+](=O)[O-])cc3)c2)c(C)c1,0
+CC(Sc1nnc(C(C)[NH+](C)C)n1-c1ccc(F)cc1)C(=O)Nc1ccccc1-c1ccccc1,0
+CCC(C)C(NC(=O)C1Cc2c([nH]c3ccccc23)C2c3ccccc3C(=O)N12)C(=O)NCCCOC,0
+COc1cc(C[NH2+]CCCCCO)cc(Br)c1OCc1ccc(F)cc1Cl,0
+CC[NH+](CC)C(C)CNC(=O)C1CCCC(C(=O)NCC(C)[NH+](CC)CC)C1,0
+CN1CCc2c(c(N3CCOCC3)[nH+]c3sc(C(=O)NCC4CCCO4)c(N)c23)C1,0
+CSNCC(c1ccc(S(=O)(=O)Oc2ccccc2)cc1)N1CC[NH2+]C(O)C1,0
+CN1c2ccccc2NC1CCc1ccc(NC(=O)C2C=c3cc(Cl)ccc3=[NH+]2)cc1,0
+COc1ccc2c(c1)=[NH+]C(C(=O)NN=Cc1cccc(OC)c1O)C=2,0
+CCOC(=O)N1CCC(NC(=O)C(=O)NCC[NH3+])CC1,0
+CCCCCCc1cc2cc(C(N)=[NH+]NC(=O)c3ccc([N+](=O)[O-])cc3)c(=O)oc2cc1O,0
+Cc1cc(C2NC(CO)(c3ccccc3)C3C[NH+](C)CC23)cc(C)c1O,0
+C[NH+](CCC(F)(F)F)CC(=O)Nc1ccccc1SCC(N)=O,0
+CCC1Oc2ccc(NS(=O)(=O)c3ccc(C)c(F)c3)cc2CN(C2CCCc3ccccc32)C1=O,0
+Cc1ccc(C(=O)N2CC(C(=O)NC(C)CCCC(C)(C)O)C3(CC[NH2+]CC3)C2)cc1F,0
+COCCNc1ccc(CNC(=O)NCC(C)[NH+]2CCc3ccccc3C2)cc1,0
+CCOc1cc(C[NH2+]C2CCCCCC2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1,0
+O=C(C=Cc1nc2ccccc2[nH]1)c1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O,1
+S=c1[nH]nc2c3c4c(sc3n3c(=S)[nH]nc3n12)CCC4,1
+Cc1cccc(NC(=O)CN2CC[NH+](C(C)c3nc(N)nc(N(C)C)n3)CC2)c1C,0
+CCOC(=O)c1ccccc1NC(=O)N1CCC2=c3cc(Cl)ccc3=[NH+]C2C1c1ccc(F)cc1,0
+CC1(CO)C(OC(=O)Nc2ccccc2)CCC2(C)C(CC(=O)NCc3cccs3)C(O)CCC12,0
+CC1CC(C)C[NH+](C(C)(C)CNC(=O)NNC(=S)NC2CCCC2)C1,0
+Cc1ccc(-n2c(SC(C)C(=O)NC(N)=O)nc3ccccc3c2=O)nc1,0
+O=C(C1CSCN1C(=O)C1CCCCC1)N1CCCC1,0
+Cc1ccc(NC(=O)CCSc2nnc(NN=C(Cc3ccccc3)Cc3ccccc3)n2N)c(C)c1,0
+CC1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)n1C,1
+CN(CCc1ccccc1)Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,1
+NS(=O)(=O)c1ccc(CC[NH2+]C2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1,0
+CCC(N)C(c1ccc(Br)s1)[NH+](C)Cc1cccc(C)c1,0
+CC(C)Cc1cc(I)ccc1N1CC[NH2+]C(S(=O)(=O)Oc2ccccc2)C1,0
+CNC(=O)CN1CCC([NH2+]C(C)c2ccc(Br)cc2)CC1,0
+O=C(NCCCO)NCC(c1c(F)cccc1Cl)[NH+]1CCCC1,0
+CCC(C)C(NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)Nc1ccccc1OC,0
+Cc1cc(C([NH3+])c2ccccc2I)cc([N+](=O)[O-])c1,0
+Cc1cccc(NC(=O)c2c(NC(=O)C[NH2+]CC(C)C)sc3c2CCC(C(C)(C)C)C3)c1,0
+Cc1ccc2c(c1)=[NH+]C(SCC(=O)Nc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1)[NH+]=2,0
+O=C(NCc1cc(Br)ccc1F)C1CN(C(=O)c2ccc3ccccc3c2)CC12CC[NH2+]CC2,0
+CCC[NH+](CC(=O)NC(=O)NC1CCCC(C)C1C)Cc1nc2ccsc2c(=O)[nH]1,0
+N#CC1C=C2C(=NC1=O)CCC1C2=Nc2ccccc21,0
+C=CC[NH+]1CCN(c2nc3sc(C)c(C)c3c(=O)n2CC(=O)Nc2ccc(Br)cc2)CC1,0
+CC(C)(C)NS(=O)(=O)c1ccc(NCCC[NH2+]C2CCCCC2)c([N+](=O)[O-])c1,0
+O=C1N=NC(=O)c2c(N=Cc3ccc(Br)s3)cccc21,0
+Cc1ccc(S(=O)(=O)c2nc(C3=C([NH+]4CCOCC4)C(=Cc4ccccc4)CC3)sc2Cl)cc1,0
+CC(C)CN(C)C(C[NH3+])c1cc(Br)c(Br)o1,0
+Nc1ccc2ncnc(N3CCN(C(=O)C(N)Cc4ccc(Cl)cc4)CC3)c2c1,1
+CCOc1ccc(-c2ccc(=O)n(CC[NH+]3CCN(S(=O)(=O)c4ccc5c(c4)CCCC5)CC3)n2)cc1,0
+COc1ccc(C2(C(=O)N3CCN(c4ncnc5[nH]ccc45)CC3)CCNCC2)cc1,1
+Nn1c(SCc2nnc(-c3ccccc3Br)o2)nnc1-c1ccc(Cl)cc1Cl,0
+NC(CNc1nnc(-c2ccc3cnccc3c2)s1)Cc1ccc(C(F)(F)F)cc1,1
+Cc1c(N)cccc1NC(=O)CCC[NH+](C)C1CCSC1,0
+O=C1[NH+]=c2ccc(Br)cc2=C1NNc1ccc2c(Cl)cc(Cl)c(O)c2n1,0
+C[NH+](CC(=O)NC(=O)NCc1ccco1)CC(=O)Nc1ccc(Cl)cc1,0
+CC1(C)CC(NC(=O)COc2ccc(Br)cc2)CC(C)(C)[NH2+]1,0
+CCC(C)[NH2+]C(C(N)=O)c1cc(Br)c2c(c1)OCCCO2,0
+[NH3+]CC#Cc1cc(Cl)c(S(=O)(=O)NC2CC2)c(Cl)c1,0
+Nc1ccc(OCCCn2cc(Br)ccc2=O)cc1,0
+COc1ccc(C(=O)Nc2n[nH]c3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1OC,1
+CC(CNS(=O)(=O)c1ccc(N)cc1F)[NH+]1CCCCC1,0
+O=C(C1CC(O)C[NH2+]1)N1CCN(c2cccc[nH+]2)CC1,0
+CC1=CC(C(=O)N2CC(C(=O)NC(C)c3nc4ccc(C)cc4[nH]3)C3(CC[NH2+]CC3)C2)NN1C,0
+CCC[NH+]1CCc2c(sc(NC(=O)Cc3cccc(C)c3)c2C(N)=O)C1,0
+NC(=O)c1c(NC(=O)C[NH+]2CCN(C(=O)c3ccco3)CC2)sc2c1CCCC2,0
+Cc1ccc(N2C(=O)C3C(C2=O)C2(C)C=CC3(C)O2)c(C)c1,0
+CC1(C)CC(NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)CC(C)(C)[NH2+]1,0
+CC(NC(=O)NC(=O)C[NH+]1CCCC(C(=O)NC2CC2)C1)C1CC2CCC1C2,0
+COc1ccc2c(c1)NC([NH+]=Cc1c[nH]c(=O)[nH]c1=O)S2,0
+Cc1cc(NC(=O)Nc2cccc(C)c2C)c2c(c1)=C(c1ccccc1)C(C(=O)N1CCOCC1)[NH+]=2,0
+Cc1cc(O)cc2c1OC(C)(CCCC(C)C)CC2,1
+COCCC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,1
+NC(COc1cncc(C=Cc2ccnc(Sc3ccccc3)c2)c1)Cc1c[nH]c2ccccc12,1
+CCOC(=O)C1CCN(c2[nH+]c3c(OC)ccc(OC)c3cc2C[NH2+]Cc2cccs2)CC1,0
+Nc1nc(Nc2ccccc2)cc(N2CC[NH+](CC(=O)Nc3cccc4c3CCCC4)CC2)n1,0
+Cc1cc(C)cc(OC(C)C(=O)NN=C2[NH+]=C(N)c3ccccc32)c1,0
+Cc1ccsc1C(=O)NNC(=O)NCC(c1cccs1)[NH+]1CCCC1,0
+NS(=O)(=O)c1ccc(CCNC(=O)C2CCCCC2C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1,0
+[NH3+]CCc1nc(N(CCCO)Cc2ccc(F)cc2)c2ccccc2n1,0
+CC1CCCCC12NC(=O)N(CC(=O)NNC(=O)c1cccs1)C2=O,0
+Cc1cc(O)cc2c1OC(C)(CCCC(C)C)CC2=O,1
+CN(C)CCN1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC1,1
+Nc1cc(S(N)(=O)=O)ccc1Nc1cc(F)c(F)cc1F,0
+COC(=O)c1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1,1
+NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1ccccc1,1
+Cc1ccc(NC(=O)N(O)C2N(c3ccc(C)cc3)C(=O)N(CC(=O)NN=Cc3ccco3)C2(C)C)cc1,0
+COc1cc(C(=O)Oc2ccc(C3NC(=[NH2+])Nc4nc5ccccc5n43)cc2)cc(OC)c1OC,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)c2ccccc2C(F)(F)F)CC12CC[NH2+]CC2,0
+CCC([NH3+])C(c1ccccc1Br)N1CCC(CO)CC1,0
+NC1(c2ccc(-n3c(-c4cccc(F)c4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1,1
+NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc21,1
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cc(F)c(F)cc1F,1
+CN(C)C1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC1,1
+NC(=O)c1cccc2c(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cccc12,1
+CC[NH+]1CCCC1CNS(=O)(=O)c1c(N)cc(Cl)cc1Cl,0
+Cc1cc(C)cc(N2C(=O)C(C3NCCC4=c5ccccc5=[NH+]C43)C(O)=NC2O)c1,0
+CCCCOc1ccc(Br)cc1C=NNC(=O)C(NC(=O)c1ccccc1Cl)C(C)C,0
+NC(NCc1ccc(-c2ccc3c(c2)CCO3)cc1)=[NH+]C1CC1,0
+CCCCCCC1(O)C(C)C(c2ccc(N(C)C)cc2)[NH2+]C(c2ccc(N(C)C)cc2)C1C,0
+CCOc1ccc(C([NH2+]CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)C(C)C)cc1OCC,0
+CC(C)[NH+]1CCC(Nc2cc3[nH]c(=O)[nH]c3cc2Br)C1,0
+Cn1nccc1-c1csc(C(=O)NC2(c3ccc(F)cc3)CCNCC2)c1,1
+CC(Sc1nc2sc3c(c2c(=O)n1CCC[NH+](C)C)CCCC3)C(=O)NC(N)=O,0
+CCCCCCOc1ccc(N2C(=O)CC([NH2+]Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1,0
+CC(C)CC(C)NC(=O)C1C[NH2+]CC1C(=O)NC1CCCc2ccccc21,0
+Cc1cc(Br)cc2c1NC(=O)C2[NH2+]CCCOCC1CC1,0
+CC(C[NH3+])CN1CC[NH+](CC(=O)N2CCN(C)CC2)CC1,0
+O=C(NCC1(c2ccccc2)CCCC1)C1CC12CC[NH+](CC1C=NN=C1c1ccc(F)cc1)CC2,0
+CCCCCCCCNC(=O)c1cc(C(=O)c2cc(C)ccc2O)coc1=[NH2+],0
+NS(=O)(=O)c1ccc(C[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1,0
+Cc1cc(C(N)=O)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+COc1ccc(C(=O)N2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1,1
+CC[NH+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(C)c1cccc(OC)c1,0
+CC(C(=O)Nc1ccc(N)cc1Cl)[NH+](C)Cc1ccsc1,0
+NC1(c2ccc(-c3nc4cc(Cl)ccn4c3-c3ccccc3)cc2)CCC1,1
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)CCCc2ccccc2)CC12CC[NH2+]CC2,0
+COc1cccc(CC2(CO)CCC[NH+](Cc3cn(CC(N)=O)c4ccccc34)C2)c1,0
+CC(CC#N)N1C(=O)CC2(CCCCC2)CC1=O,0
+CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1cc(-c2cc(C)cc(C)c2O)n[nH]1,0
+O=c1c(-c2ccc(F)cc2)c(C(F)(F)F)oc2c(C[NH2+]CCO)c(O)ccc12,0
+CC[NH+](CC)CC(C)NS(=O)(=O)c1ccc(Br)cc1N,0
+NS(=O)(=O)c1ccc(CCC(=O)NCC(c2ccccc2)[NH+]2CCCC2)cc1,0
+CCNc1nc(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc(C)[nH+]1,0
+CC(C(=O)Nc1sccc1C(N)=O)[NH+](C)Cc1ccc(OC(F)F)cc1,0
+CC(C)(C)NC(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1,1
+O=S(=O)(NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1)c1cccc(F)c1,1
+Cc1ccc(NC(=O)NCC(c2cccs2)[NH+]2CCCC2)c(F)c1,0
+CC1(C2CCC3C4CCC5CC6(CCC5(C)C4C(O)CC32CO)OCCO6)OCCO1,0
+CC(CCCCSc1ccc(Br)cc1)([NH2+]C1CC1)C(N)=O,0
+CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(CCN)cc21,1
+Cc1ccc(-c2nnc(SCC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccc(F)cc3)n2N)cc1,0
+Cc1ccc(CN2C(=O)C(=c3sc4ncnn4c3=O)c3cc(Br)ccc32)cc1,0
+CC1(C[NH2+]Cc2cc(Cl)ccc2OCC(O)C[NH+]2CCCCCC2)COC1,0
+COC(=O)N1CCCC(C(=O)NCCc2n[nH]c(=S)n2C)C1,0
+C=CC(C)(O)C[NH+](CCC(C)C)Cc1nc2scc(-c3ccccc3F)c2c(=O)[nH]1,0
+CC(C)CCOc1ccc(Cn2c(SC3OC(CO)C(O)C(O)C3O)nc3ccccc32)cc1,0
+NS(=O)(=O)c1cc(Cl)c(NC(=O)CC(F)(F)F)c(Cl)c1,0
+O=C(CCN1C(=O)C2CCCCC2C1=O)NNC(=O)NC1CCCC1,0
+c1ccc(Cn2cc(-c3ccc4[nH]ncc4c3)nn2)cc1,1
+Cc1ccc(NC(=O)CCNC(=O)NCc2cccc(O)c2)c(Cl)c1,0
+COc1ccc(CN2C(=O)C3C(CC(N)=O)[NH2+]C4(C(=O)Nc5c(C)cc(Cl)cc54)C3C2=O)cc1,0
+Cc1sc(NC(=O)c2ccco2)c(C(c2ccc(C(F)(F)F)cc2)N2CC[NH+](C)CC2)c1C,0
+COc1ccc(-c2cc(O)c3ccc(=[NH+]C(=O)c4cc5cc(Br)ccc5o4)cc-3o2)cc1,0
+Cc1cccc(CC(=O)NCCSC2=c3ccccc3=[NH+]C2c2ccc(Br)cc2)c1,0
+N#Cc1c(N)ncnc1N1CCC(c2nc(-c3cccc(Cl)c3)cn2CCN2CCCC2)CC1,1
+CC[NH+](CC)C(CNC(=O)NCC(=O)Nc1c(C)cc(C)cc1C)CC(C)C,0
+CC1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=S)[nH]1,1
+CC(C)(C)C1CCC(OCC(O)C[NH+]2C(C)(C)CC(O)CC2(C)C)CC1,0
+O=C(CN1C(=O)C(=Cc2ccc(C(F)(F)F)cc2)Sc2ccccc21)NCCC[NH+]1CCCCCC1,0
+Cc1sc(NC(=O)c2ccco2)c(C(Nc2cccc[nH+]2)c2ccc(F)cc2)c1C,0
+CC1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)[nH]1,1
+CCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1,1
+CC[NH+](CC)C(CNC(=O)NCC(c1cccs1)[NH+](C)C)c1ccsc1,0
+CC1SCc2ncnc(N3CCN(C(=O)C(N)Cc4ccc(Cl)cc4)CC3)c21,1
+CC(c1nc(N)nc(Nc2ccccc2)n1)[NH+](C)Cc1c(F)cccc1Cl,0
+COc1cc(NC(=O)C(C)(C)N(CC2CCC[NH+]3CCCCC23)C(=O)c2ccc(Cl)cc2)cc(OC)c1,0
+CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(Cl)c3)cn2CCN2CCCC2)CC1,1
+CC(OC(=O)c1cc(N)ccc1Br)C(=O)NC(C)(C)C,0
+CC[NH+](CC)C(C)CNC(=O)NNC(=O)c1cc2c(s1)CCCCC2,0
+NC(=O)Cc1ccc(OCC(=O)NCC2CCC[NH+]2CC2CCCCC2)cc1,0
+Cc1cc(S(N)(=O)=O)cc(NC(=O)C[NH+](C)CC2COc3ccccc3O2)c1C,0
+Cc1ccc2c(c1)c1c3n2CC[NH+](CC(=O)NN=Cc2cc(Br)ccc2O)C3CCC1,0
+CN1CCN(c2ccc3nc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ncccn7)[nH]6)CC5)cc4)nc3n2)CC1,1
+CC(CCc1ccccc1)NC(=O)C1C[NH2+]CC1C(=O)NC(C)C1CCCCC1,0
+CN(C(=O)c1ccccc1)C1C[NH2+]C(C(=O)N2CC=C(c3ccccc3)CC2)C(C(=O)NO)C1,0
+COc1cc(C=C2SC(=S)NC2=O)ccc1O,1
+CC[NH+](CC)C(C)CNC(=O)Nc1ccc(C(=O)NC(C)(C)CC)cc1,0
+CCOC(=O)c1c(NC(=O)c2ccc3ncsc3c2)sc2c1CC(C)(C)[NH2+]C2(C)C,0
+CCC(=O)N1N=C(C2C(=O)[NH+]=c3ccc(Cl)cc3=C2c2ccccc2)CC1c1cc(OC)ccc1OC,0
+OC(c1ccc(C[NH+](Cc2ccccc2)CC2CCCO2)o1)(c1cccs1)c1cccs1,0
+CCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2Oc2cccc(C)c2)C1=O,0
+O=C(CC1=c2ccccc2=[NH+]C1)NCCNC(=O)c1cc2ccccc2[nH]1,0
+N#CCCNC(=O)CN1C(=O)NC2(CCOc3ccccc32)C1=O,0
+CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(CN3CCCC3)cc21,1
+COc1cc(C2C(C(N)=O)=C(C)N=C3N=CNN32)cc(Br)c1OC,0
+Nc1ncnc(N2CCC(c3nc(-c4ccc(C(F)(F)F)cc4)cn3CCN3CCCC3)CC2)c1Br,1
+CC(SC1NN=C(C2=c3ccccc3=[NH+]C2)N1C1CC1)C(=O)NC(=O)NC(C)(C)C,0
+CCN(CC)c1ccc(C2CSCC(C(=O)NCc3ccccc3C)[NH2+]2)cc1,0
+NC(=O)C([NH2+]CC1CCCO1)c1cc(Br)cs1,0
+Cc1ccc(C)c(NC(=S)N(Cc2ccc(C)o2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1,0
+O=C1CC([NH+]2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(I)cc1,0
+CN(C)c1ccc(C(CNC(=O)Nc2ccccc2C(F)(F)F)[NH+]2CCCC2)cc1,0
+CC1=C(C(=O)OC(C(=O)C2=c3ccccc3=[NH+]C2)c2ccccc2)C(N)ON1,0
+CC[NH+]1CCc2c(sc3c2C(O)=NC(c2ccc(OC(=O)c4ccc(C)cc4)cc2)N3)C1,0
+CCC([NH3+])C(c1ccc(Br)s1)N1CCCCC1CCO,0
+NC(=O)C(COc1c(Br)cc([N+](=O)[O-])cc1Br)[NH2+]C1CC1,0
+Cc1ccsc1C(=O)NNC(=O)NCC(c1cccs1)[NH+](C)C,0
+CC(C)(C)OC(=O)NCCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,1
+Cc1ccc(C)c(OC2OC3COC(c4ccco4)OC3C(O)C2O)c1,0
+CCCCC(=O)N1CC(C(=O)NCC[NH+](C(C)C)C(C)C)C2(CC[NH2+]CC2)C1,0
+CCn1c(-c2nonc2N)nc2c(-c3ccoc3)ncc(OCCCN)c21,1
+NC(=O)C1CCC[NH+]1Cc1cccc(NC(=O)NCc2cccc([N+](=O)[O-])c2)c1,0
+CCCC(C)C(=O)N1CC(C(=O)NC2C[NH+]3CCC2CC3)C2(CC[NH2+]CC2)C1,0
+Cc1c(Cl)ccc2c1NC(=O)C21[NH2+]C(CC(N)=O)C2C(=O)N(c3ccc(C(N)=O)cc3)C(=O)C21,0
+NC(=O)Cc1ccccc1NC(=O)NCC1CCC[NH+](Cc2cccs2)C1,0
+COc1ccccc1N(CC(=O)NN=Cc1c(O)ccc2ccccc12)S(=O)(=O)c1ccccc1,0
+Oc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3ccn12,1
+COc1cccc(NC(=O)N2CC[NH+](C(C)c3nc4ccccc4c(=O)n3Cc3ccccc3)CC2)c1,0
+CC(NS(=O)(=O)c1cccs1)c1cccc(C#CCO)c1,0
+CN(C)C1CCN(C(C[NH3+])c2cc(Cl)cc(Cl)c2)CC1,0
+C[NH+](CCCOc1cccc(Cl)c1)CC(=O)Nc1sccc1C(N)=O,0
+C[NH+](Cc1nc2ccc(N)cc2[nH]1)Cc1cc(Br)cs1,0
+CCOC(=O)NC(CC1=c2ccccc2=[NH+]C1)C(=O)NCCC1=c2ccccc2=[NH+]C1,0
+C[NH2+]Cc1cn(CC2OC(CC(=O)NCCOC)C(O)C2O)nn1,0
+O=C(NCC(c1ccsc1)[NH+]1CCCCCC1)Nc1ccc(Cl)c(Cl)c1,0
+CC(C)C(C(=O)NCCC1=c2ccccc2=[NH+]C1)N1NNc2ccccc2C1=O,0
+CCCCc1nc(N2CC[NH+](Cc3ccc(OC)cc3OC)CC2)c2c(C)nn(-c3ccccc3)c2n1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2c(F)cccc21,1
+COc1cc(OC)c(C2=CC[NH+](CC(=O)NC(C)c3ccc(Br)cc3)CC2)c(OC)c1,0
+COc1ccc2oc(=[NH+]c3ccc(C(N)=O)cc3)c(-c3nc4ccccc4[nH]3)cc2c1,0
+CCCC[NH+]1Cc2cccc(NC(=O)CC3Sc4ccccc4NC3=O)c2C1,0
+CCCC1CCC([NH2+]Cc2cccc(S(N)(=O)=O)c2)CC1,0
+CC1(C)C2CCC1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C(N1C(=O)NC(C[NH3+])C1=O)C2,0
+CCOc1ccccc1NC(=O)CSc1nc2n[nH]c(C)c2c(=[NH2+])n1-c1ccc(C)cc1,0
+O=C(N1CCN(c2ncnc3[nH]ccc23)CC1)C1(c2ccc(Br)cc2)CCNCC1,1
+CN(Cc1cc(C(C)(C)C)n[nH]1)c1nc2c(c(=O)[nH]1)CC[NH2+]CC2,0
+NC(=O)CSc1ccccc1NC(=O)COc1ccccc1Br,0
+CN(Cc1ccsc1)S(=O)(=O)Cc1ccc(C(N)=S)cc1,0
+Cc1nc(N)nc2c1cc(-c1cnc3ccccc3c1)c(=O)n2C1CCC(OCO)CC1,1
+CC1CCC[NH+](C(C)CNC(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)C1,0
+CC(=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)c1ccc(O)cc1,0
+O=C(C[NH2+]CC1CCCO1)Nc1nc2c(s1)CCCCCCCCCC2,0
+C[NH+]1CCN(c2nc3c(c(Oc4ccc(F)cc4)n2)CN(Cc2ccc(C(F)(F)F)cc2)CC3)CC1,0
+CC1CCc2c(sc(NC(=O)CN3CC[NH+](C(C)C)CC3)c2C(N)=O)C1,0
+NC(=O)C([NH2+]Cc1cccs1)c1cc(Br)c2c(c1)OCO2,0
+Cc1ccc(NC(=O)CN2C(=O)C(=NNC(=O)C([NH3+])CC(C)C)c3ccccc32)cc1,0
+CCNc1[nH+]n(CC(=O)Nc2ccccc2CC)c(N)c1-c1nc(-c2ccccc2C)no1,0
+O=C(NCCCCC(C(=O)NN=Cc1cccs1)[NH+]1CCCCC1)c1ccccc1,0
+Cc1nc(COc2ccccc2Cl)sc1-c1ccnc(N)n1,1
+Cn1ncc(Cl)c1-c1oc(C(=O)NC2CNCCC2c2ccc(Cl)cc2)cc1Br,1
+C=C(Br)CNC(=O)CNC(=O)c1ccc2c(c1)CCC2,0
+CC(C)CC(NC(=O)C1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc2c(c1)OCCO2,0
+Cc1cc(F)ccc1CC(N)COc1cncc(-c2ccc3[nH]nc(C)c3c2)c1,1
+[NH2+]=C(Nc1nc(O)cc(CSc2ccc(Cl)cc2)n1)Nc1ccccc1C(F)(F)F,0
+CCOC(=O)c1c(NC(=O)CSc2cc(C)nc(C)n2)sc2c1CC(C)(C)[NH2+]C2(C)C,0
+COc1ccc(C([NH3+])c2ccc(Br)s2)c(OC)c1OC,0
+COc1cc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4C(N)=O)CC3)n2)ccc1F,1
+CCNc1sc2c3c(c(=O)[nH]c2c1C#N)C(c1ccc(OC)cc1)C(C#N)=C(N)O3,0
+C[NH2+]CC1CC[NH+](CC(=O)NC2(C)CCS(=O)(=O)C2)CC1,0
+CC(C)(C)CC(C)(C)NC(=O)C(c1c(O)cc(O)cc1O)N(Cc1ccco1)C(=O)c1cccc(O)c1O,0
+Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)C(NC(=O)c3cccs3)C(C)C)c2)cc1C,0
+COc1ccc(S(=O)(=O)Nc2nccc(-c3ccc4nc(NC(C)=O)sc4c3)n2)cc1,1
+Cc1n[nH]c2ccc(-c3cc(OCC(N)Cc4ccccc4)cnc3C#CCCO)cc12,1
+Cc1c(Cl)cccc1NC(=S)N(Cc1ccccn1)C1CC(C)(C)[NH2+]C(C)(C)C1,0
+CN(C)c1[nH+]cccc1CNC(=O)NCC(C)(C)[NH+](C)C,0
+CCOS(=O)(=O)[N-]c1ccc(C)cc1N1CCNC(F)C1,0
+COc1ccc(OC)c(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)c1,1
+Cc1cc(S(N)(=O)=O)cc(NC(=O)C[NH+](C2CC2)C(C)c2ccccc2Cl)c1C,0
+C[NH+]1CCN(c2c(Cl)cccc2NC(=S)NC(=O)c2cccc3ccccc23)CC1,0
+CC(SC1NN=C(C2=c3ccccc3=[NH+]C2)N1c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,0
+C=CCn1c(=S)[nH]c([O-])c(C2[NH2+]CCC3=c4ccccc4=[NH+]C32)c1=O,0
+CC1CC(=O)Nc2ncnc(N3CCC(c4nc(C(F)(F)F)cn4CCN4CCCC4)CC3)c21,1
+CCC[NH+]=c1c(NC(=O)Nc2cc(Cl)c(OC)cc2OC)c(O)oc2ccccc12,0
+O=C(c1ccccc1)N1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+CC1CC(C)C[NH+](CCCNC(=O)NNC(=O)C2CCS(=O)(=O)C2)C1,0
+CC1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=S)[nH]1,1
+CC(C)(C)c1cc(SCC(=O)NCCC2=c3ccccc3=[NH+]C2)cc(C(C)(C)C)c1O,0
+CC([NH3+])C(c1cccc(Br)c1)N1CCN(CCO)CC1,0
+O=c1c(NCc2ccc(Cl)c(Cl)c2)c(Nc2ccncc2)c1=O,1
+C[NH+]1CCCCC1CNS(=O)(=O)c1cc(N)ccc1Cl,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4cnc5ccccc5c4)c3)cc12,1
+NC(=O)C1C2=C(CCC2)SC1NC(=O)CCCC1=c2ccccc2=[NH+]C1,0
+CC(C)(C)CN1CCCC(O)(C[NH2+]CCc2n[nH]c(=O)[nH]2)C1=O,0
+c1ccc(-c2nnc[nH]2)c(Nc2ncnc3[nH]ccc23)c1,1
+Cn1nccc1-c1ccc(C(=O)NC2CNCCC2c2ccc(Cl)cc2)o1,1
+COc1cc(C)c(C([NH3+])c2ccc(Br)s2)cc1OC,0
+CCOc1ccc(C(C[NH3+])N(C)Cc2cc(Br)cs2)cc1,0
+CC[NH+](CC)C(CNC(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1)c1ccccc1Cl,0
+CCOC(=O)c1c(NC(=O)CNc2ccc(C(=O)OC3CCCCC3)cc2)sc2c1CCC(C)C2,0
+O=C(C[NH+]1CCN(Cc2nc(-c3cccs3)cs2)CC1)Nc1cc(C(F)(F)F)ccc1Cl,0
+NC(=[NH2+])c1cccnc1Oc1c(Br)cc([N+](=O)[O-])cc1Br,0
+[H]N=C(OCC)c1c(NC(C)=O)sc2c(Cl)c(C[NH2+]CCO)ccc12,0
+CC(c1ccc(Cl)cc1Cl)[NH+](C)CC(=O)Nc1cccc(S(N)(=O)=O)c1,0
+CC(NC(=O)c1ccccc1Cl)C(=O)NCC1(O)CCCc2ccccc21,0
+CC(CNC(=O)C1C[NH2+]CC1C(=O)NC1CCCc2ccccc21)c1ccccc1,0
+CCCN(CCC[NH3+])c1nc2c([nH]1)c(=O)n(C)c(=O)n2C,0
+COc1ncc(-c2cc3c(C)nc(N)nc3n(C3CCC(OCO)CC3)c2=O)cc1F,1
+COc1ccc(-c2csc(NC(=O)c3cccc(Cl)c3Cl)c2C(=O)OC(C)C)cc1,0
+C[NH+]1CCN(c2nc(SCC(=O)Nc3ccc(Br)cc3)nc3sc4c(c23)CCC4)CC1,0
+CN(Cc1csc(Br)c1)C(C[NH3+])c1ccc(Br)s1,0
+CC(Cc1ccc(O)cc1)NC(=O)Nc1ccc(N2CCCC2)[nH+]c1,0
+O=C1CN(C(=O)c2nn(-c3ccc(F)cc3)c3c2CCCCC3)CCN1,0
+Cn1cc(-c2c(Cl)cnn2C)cc1C(=O)NC1CNCCC1c1ccc(Cl)cc1,1
+CCC[NH2+]C(c1ccc(C=NC(CC)(CO)CO)cc1)C(Cl)(Cl)Cl,0
+COc1ccc2c(c1)=C(CCNC(=O)C1CCN(S(=O)(=O)c3ccc4c(ccn4C)c3)CC1)C[NH+]=2,0
+N#CC(=Cc1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)C(=O)NC1CCS(=O)(=O)C1,0
+CC(C)(NC(=O)c1ccc(Br)cc1O)C(N)=NO,0
+CC(Sc1nnc(CCC2CCCC2)[nH]1)c1nc2scc(-c3ccco3)c2c(=O)[nH]1,0
+CC(C)(C)c1cc(C2CSCC(C(=O)NCC3CCC4CC3C4(C)C)[NH2+]2)cc(C(C)(C)C)c1O,0
+CCc1ccc(CCNC(=O)C2CN(C(=O)C(C)CC)CC23CC[NH2+]CC3)cc1,0
+CC(c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N(CC[NH+](C)C)C(=O)Nc1cccc(F)c1,0
+Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2C=O)CC1,1
+CC1=NN(C(=O)c2ccccc2)C(=O)C1N=Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,1
+C=C(C)C[NH+]1CCN(C(=O)Nc2sc(C)c(CC)c2C(N)=O)CC1,0
+O=CC(NS(=O)(=O)[O-])C(O)C(OC1OC(C(=O)[O-])=CC(O)C1OS(=O)(=O)[O-])C(O)CO,0
+O=C1CC2OC(c3ccc(O)cc3)C3=C(C(=O)c4ccccc4C3=O)C2O1,1
+COc1ccccc1NC(=O)C1=C(C)Nc2nc(SCc3ccccc3)nn2C1c1ccccc1Cl,0
+CC(NS(=O)(=O)c1ccc(CC[NH3+])s1)c1cccs1,0
+CC(CCc1ccccc1)NC(=O)CCC1N=C(O)N(CCC2=c3ccccc3=[NH+]C2)C1=O,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1ccc(F)c(C(F)F)c1,1
+CCc1ccc(C(=O)N2CC(C(=O)NC(Cc3ccccc3)C(=O)N3CCCCC3)C3(CC[NH2+]CC3)C2)cc1,0
+Cc1ccc(C)c2sc(N(CC3CCCO3)C(=O)C3=COCCO3)nc12,0
+CCOC(=O)c1c(CSc2cccs2)n(C)c2cc(Br)c(O)c(C[NH+](C)C)c12,0
+CC([NH3+])C(c1ccc(Cl)s1)N(C)Cc1ccncc1,0
+Cc1cccc2ncnc(N3CCN(C(=O)C(N)Cc4ccc(Cl)cc4)CC3)c12,1
+CC(C)(C)c1cc(C2CSCC(C(=O)NCCc3ccc(F)cc3)[NH2+]2)cc(C(C)(C)C)c1O,0
+CC(C)n1nccc1-c1nnc([S-])n1N,0
+Nc1cc(=O)[nH]c(SCc2cc(Cl)cc3c2OCOC3)n1,0
+COc1ccc(-c2csc(NC(=O)CSc3nnc(C(C)[NH+](C)C)n3-c3ccc(Cl)cc3)n2)cc1,0
+Cc1c(Cl)ccc2c1NC(=O)C21NC(CC(N)=O)C2C(=O)N(CCc3ccccc3)C(=O)C21,0
+COc1cccc(-c2cccc(N3CCC([NH2+]CC4CCC(=O)N4)CC3)c2)c1,0
+NC(COc1cncc(-c2ccc3ccccc3c2)c1)Cc1c[nH]c2ccccc12,1
+CCC(C)NC(=O)C[NH+]1CCN(CC(=O)NC(=O)NC2CCCCC2C)CC1,0
+COc1cc(C2C3[NH+]=c4ccccc4=C3CC3C(=O)N(Cc4ccccc4)CC(=O)N32)cc(OC)c1OC,0
+O=C1NCC(CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[NH+]2CC(NCc3ccc(F)cc3)CC12,0
+CCCNC(=O)c1cccc(NC(=O)NCC(c2ccsc2)[NH+](C)C)c1,0
+O=C(NCc1ccco1)C(NC(=O)c1ccccc1)=C(Sc1nc2ccccc2s1)c1ccccc1,0
+COC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)C(C(=O)OC)C(c3ccccc3)C2)C1c1ccc(F)cc1,0
+Cc1cccc(-n2cc(C3CC(=O)NCc4nc5ccccn5c43)cn2)c1,0
+CCC(C)c1ccc(C([NH2+]CC(=O)Nc2ccccc2C(N)=O)C(C)C)cc1,0
+CCCCCCc1cc2cc(C(C)=NNc3ccc([N+](=O)[O-])cc3)c(=[NH2+])oc2cc1O,0
+COc1ccccc1C(Nc1cc(C)cc[nH+]1)c1ccc2cccnc2c1O,0
+COc1ccc2c(c1)=C(CCNC(=O)C(C(C)C)N1NNc3ccccc3C1=O)C[NH+]=2,0
+CCC[NH+](CC(=O)Nc1cccc(C(=O)NC)c1)CC(=O)Nc1ccccc1C,0
+COc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(C[NH+](Cc3ccccc3F)C(C)C)o2)cc1,0
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+CC[NH+](CC)CC(C)NS(=O)(=O)c1cc(Cl)cc(N)c1Br,0
+CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2C1c1ccc(Br)cc1,0
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+C[NH+](C)CCNC(=O)CN1CC[NH+](C(C(=O)[O-])c2c[nH]c3ccc(CO)cc23)CC1,0
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+[NH2+]=C1Nc2nc3ccccc3n2C(c2ccccc2OCc2cccnc2)N1,0
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+CN1CCN(c2cc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3cn2)CC1,1
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+COc1cc(Cl)c(C)cc1Nc1cc[nH+]c(C(N)=S)c1,0
+NC(CNc1nnc(-c2ccc3cnccc3c2)s1)Cc1ccc(C(F)(F)F)cc1,1
+COc1cc(C[NH2+]C(C)c2sc(C)nc2C)cc(Br)c1O,0
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+CC(CNC(=O)C1C[NH2+]CC1C(=O)NCCCCc1ccccc1)c1ccccc1,0
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+ClCc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3ccn12,1
+Cc1c(N)cc(S(=O)(=O)NCC2CC[NH+](C)C2)cc1Cl,0
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+Cc1cc(-c2cn[nH]c2)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12,1
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+CCCCC(C)C(=O)N1CC(C(=O)NCc2ccccc2Sc2ccccc2CO)C2(CC[NH2+]CC2)C1,0
+CC(C)C(Sc1nnc(C(C)[NH+](C)C)n1-c1ccc(Cl)cc1)C(=O)NC(N)=O,0
+Cc1cc(CNC(=O)NCC(O)C[NH+]2CCc3ccccc3C2)no1,0
+NC(=S)NNC(=C1C=CC(=O)C=C1)c1ccc(O)cc1,0
+Cc1ccc2c(CN3CC[NH+](CC(=O)Nc4cc(C(F)(F)F)ccc4Cl)CC3)cc(=O)oc2c1,0
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+[NH3+]C1CCCCCC1NS(=O)(=O)c1c(F)cc(F)cc1Br,0
+[NH3+]c1cc2c(cc1NCc1ccc(Br)cc1)OCCO2,0
+CN(C)c1nc(Cl)c(C[NH+](CC2CC[NH+](C3CCCC3)CC2)CC2CCCO2)s1,0
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+CC1(C)CCC(C)(C)c2cc(C3CSCC(C(=O)NCCc4cccc(Cl)c4)[NH2+]3)ccc21,0
+NC1(c2ccc(-c3nc4ccc(-c5ccccn5)cn4c3-c3ccccc3)cc2)CCC1,1
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+N#CC=Cc1c(OCC(N)Cc2c[nH]c3ccccc23)cncc1-c1ccc2cnccc2c1,1
+O=C([O-])C1C(C(=O)[O-])C(C(=O)[O-])C(C(=O)O)C(C(=O)[O-])C1C(=O)[O-],0
+CC(c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl,0
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+Cc1ccc2c(c1C)NC(=O)C2[NH2+]C1(C)CCS(=O)(=O)C1,0
+O=C(NNS(=O)(=O)C1CCCCC1)C1COc2ccccc2O1,0
+CCCC(O)C[NH+](C)Cc1nn(-c2ccc(C)cc2)c2c1CN(Cc1ccc(F)cc1)CC2,0
+C[NH+](C)CC(C)(C)CNC(=O)C1CN(C(=O)C2CCOCC2)CC12CC[NH2+]CC2,0
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+Cc1csc(CC(=O)NNC(=O)C[NH2+]C(c2ccc(CC(C)C)cc2)C(C)C)n1,0
+CCC(CC)(CNC(=O)NCC(O)COc1c(C)cccc1C)[NH+](C)C,0
+C[NH+](CCOc1ccccc1Cl)CC(=O)Nc1cccc(S(=O)(=O)N=C2CCCN2)c1,0
+OC1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC1,1
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+CCOc1cc2c(cc1C[NH2+]CC(O)C[NH+]1CCC(C)CC1)OC(C)C2,0
+CN(Cc1cc(Br)cs1)C(C)(C[NH3+])CCc1ccccc1,0
+Nc1nc(Cl)cc(Sc2nnc(C3CC3)n2C2CC2)n1,0
+CCCCN1C(=O)NC(c2cccc(NC(=O)Nc3ccc(F)c(Cl)c3)c2)C(C(=O)OC)=C1C,0
+CC(C)Cc1ccc(C([NH2+]C(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C(C)C)cc1,0
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+CNS(=O)(=O)c1ccc(C(C)[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)cc1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1ccccc1O,1
+NC(COc1cncc(-c2nc(-c3ccncc3)cs2)c1)Cc1ccccc1,1
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+CCOC(=O)CC(C(=O)Nc1ccc(C(F)(F)F)cc1)[NH+]1CCC2(CC1)C(=O)NCN2c1ccccc1,0
+Cc1ccccc1OCC(O)C[NH+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)CC(C)C,0
+CC([NH2+]CCC[NH2+]C1CC1)(C(=O)[O-])c1cccc(Br)c1,0
+COc1ccc(C(O)(c2ccc(C)cc2)C(C[NH+]2CCCCCC2)Oc2ccc(Cl)cc2C)cc1,0
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+CC(=CC(=O)Nc1cccc2c1CCCC2)NNC(=O)C(=O)NC1CCCCC1,0
+Cc1c[nH]c2ncnc(N3CCC(NS(C)(=O)=O)C3)c12,1
+COc1ccc(NC(C)=O)cc1NC(=O)C(C)[NH2+]C(C)c1cc(C)ccc1OC,0
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+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4ccc(C(F)(F)F)c(F)c4)c3)cc12,1
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+NC(=O)c1cccc2c(NC(CN3CCCC3)c3cccc(F)c3)ncnc12,1
+CC[NH+]1CCCC1CNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2,0
+Cc1cc(Cl)c2c(c1)C1([NH2+]C(CC(N)=O)C3C(=O)N(Cc4ccccc4)C(=O)C31)C(=O)N2,0
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+C#CCOc1ccccc1C[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1,0
+Cl.Cl.NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1,1
+Nc1ncccc1-c1nc2cc(-c3ccccc3)cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,1
+NC(=O)CN1CCCC([NH2+]Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)C1,0
+Cc1n[nH]c2ccc(-c3cc(OCC(N)Cc4ccccc4)cnc3-c3cc(Cl)ccc3O)cc12,1
+Cc1cccc(NC(=O)c2cc3ccccc3oc2=[NH+]NS(=O)(=O)c2ccccc2)c1C,0
+O=c1[nH]c(CSC2NNC([NH+]3CCCC3)N2c2cccc(Cl)c2)nc2ccccc12,0
+CC(C)(C)OC(=O)N1CCC(CNC(N)=[NH+]CC2CCCO2)CC1,0
+Cc1ccc(CNC(=O)CSc2nnc(NN=Cc3cccc(Br)c3)n2N)cc1,0
+CCCNC(=O)COc1cccn2cc(-c3ccc(N)cc3)[nH+]c12,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4ccc(F)c(F)c4F)c3)cc12,1
+CC1(C)CCN(S(=O)(=O)c2cc(Br)cnc2NN)CC1,0
+COc1cc(C[NH2+]CC(C)O)cc(Br)c1OCC(O)c1ccc2c(c1)OCCO2,0
+Cc1c(C(=O)Nc2ccc[nH]c2=O)oc2c1C(=O)CC(C)(C)C2,0
+O=C(NCCNc1ccccc1)C1CN(C(=O)COc2cccc(Cl)c2)CC12CC[NH2+]CC2,0
+Oc1cc(C[NH2+]C2CCCCC2)c(O)cc1C[NH2+]C1CCCCC1,0
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+Cc1n[nH]c2ccc(-c3cc(OCC(N)Cc4ccccc4)cnc3-c3ccc(O)cc3)cc12,1
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+CC1(C(=O)NN=Cc2ccccc2O)CCC(C2[NH+]=c3ccccc3=[NH+]2)C1(C)C,0
+CC(NC(=O)NCCC[NH+](C)CC(F)(F)F)c1cccc(S(N)(=O)=O)c1,0
+CC(N)C(c1cc(Br)cs1)[NH+](CCO)C1CCCC1,0
+Cc1ccsc1C(=O)NNC(=O)NCC(c1cccs1)[NH+](C)C,0
+O=C1CC2(CC(Cl)N=N2)C(=O)N1c1cc(Cl)cc(Cl)c1,0
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+COc1ccc(C2CSCC(C(=O)NCC(C)c3ccccc3)[NH2+]2)c(OC)c1,0
+Cc1nc(-c2ccccc2)c(-c2ccc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2)[nH]c1=O,1
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+CC12CCC(O)CC1CCC1C2CCC2(C)C([NH2+]CCO)CCC12,0
+COC(=O)C1[NH+]=c2ccc(Cl)cc2=C1NC(=O)CN1CC[NH+](CC=Cc2ccccc2)CC1,0
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+CC1CC(C)C[NH+](CC(C)NC(=O)NNC(=O)Cc2ccccc2F)C1,0
+c1ccc(-c2cc3cnc(N4CCCCC4)nc3nc2-c2ccc(CN3CCC(c4nnc(-c5ccccn5)[nH]4)CC3)cc2)cc1,1
+CSCCC([NH3+])c1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)cs1,0
+COc1ccc(CN(CCC[NH3+])CCC2(c3ccccc3)CC(C)[NH+](C)CC2C)cc1OC,0
+COc1ccc(C(C#N)[NH2+]CCCCCC[NH2+]C(C#N)c2ccc(OC)cc2)cc1,0
+CC(NC(=O)NCC(c1cccs1)[NH+]1CCCC1)c1cccc(S(N)(=O)=O)c1,0
+C[NH+](CC(=O)Nc1ccccc1C(N)=O)Cc1ccc(C#N)cc1,0
+CC[NH+](CC)CCCNC(=O)CCC(=O)Nc1ccc2[nH+]c(N3CCCCC3)cc(C)c2c1,0
+COc1ccc(C(NC(=O)CNc2ccccc2[NH+]2CCC(O)CC2)C2CC2)cc1,0
+Cc1cc(-c2cccnc2)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12,1
+N#Cc1cccc2c1CCN2C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+COc1cc(OC)cc(C(=O)NC(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)C(C)C)c1,0
+Cc1ccc(SCc2cc(=O)[nH]c(NC(=[NH2+])Nc3ccc(Oc4ccccc4)cc3)n2)cc1,0
+Cc1ccccc1S(=O)(=O)N=C1C=CC(=O)C(Cl)=C1,0
+CCOC(=O)C(NC(=O)Nc1sc2c(c1C(N)=O)CCCC2)(OCC(F)(F)F)C(F)(F)F,0
+CCCCOc1ccc(NC(=O)NCC(O)C[NH+]2CCC(C)CC2)c(C)c1,0
+NNc1nc2sc3c(c2c2ncnn12)CCCC3,0
+c1cc(C[NH+](CC2CC[NH+](C3CCCC3)CC2)CC2CCCO2)n(-c2nccs2)c1,0
+CNC(=O)C1CC([NH3+])CN1C(=O)CSC12CC3CC(CC(C3)C1)C2,0
+CCCOc1ccc(Br)cc1C1NC(N)=[NH+]c2nc3cc4c(cc3n21)OCCCO4,0
+CC1CCN(C(=O)C(C)Nc2ccc([N-]S(C)(=O)=O)cc2)CC1,0
+CC(NC(=O)N1CCC([NH+]2CCCC2)C1)c1ccc2c(c1)NC(=O)CO2,0
+O=C([O-])CN(CC[NH+](CC(=O)[O-])CP(=O)([O-])O)CP(=O)([O-])O,0
+CC[NH+](C)CCNS(=O)(=O)c1c(N)cc(Cl)cc1Cl,0
+C=CCNC(=O)NC(=O)C(C)[NH+]1CCCC(CNS(=O)(=O)C(C)C)C1,0
+CC1CCCC(CO)([NH2+]Cc2cc(Cl)cc(Cl)c2O)C1,0
+COc1c(Cl)cc(C(=O)N2CC(C(=O)NC(C)CCCC(C)(C)O)C3(CC[NH2+]CC3)C2)cc1Cl,0
+C[NH+](Cc1ccccc1)C1C(CNS(=O)(=O)c2ccc(F)cc2)OC(CO)C1O,0
+CC(C)C(NC(=O)Cc1ccccc1)C(=O)NCC1(O)CCCc2ccccc21,0
+CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(Br)cc1O,0
+NC(=O)NC(CC(=O)OCC(=O)Nc1ccccc1Sc1ccccc1)c1ccccc1Cl,0
+Cc1noc(C2CCCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)C2)n1,1
+Cc1ccc2[nH]c(C3CCN(Cc4ccc(-c5ncc(C#N)cc5-c5ccccc5)cc4)CC3)nc2c1,1
+CC(C)c1ccc(C=C(C#N)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1,0
+COc1ccccc1N1C(=O)CC(SC(=[NH2+])NN=C(C)c2ccc(O)cc2)C1=O,0
+COc1ccccc1C(CNC(=O)Cc1csc(-c2ccc(C)cc2)n1)[NH+]1CCCCC1,0
+O=C(CC1C(=O)NCC[NH+]1CC=Cc1ccccc1)NC1CCC(O)CC1,0
+CCC[NH+](CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)NN1C(=O)NC(C)(CC)C1=O,0
+CC(C)[NH+](CCNC(=O)c1c[nH]c(=S)n1-c1ccccc1)C(C)C,0
+CC1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=S)[nH]1,1
+O=S(=O)(c1cccc2cnccc12)N1CCCNCC1,1
+CCC([NH3+])C(Sc1nc(C)cc(=O)[nH]1)c1ccc(Br)s1,0
+CC(C(=O)Nc1c(N)cc(Cl)cc1Cl)[NH+](CC#N)CC#N,0
+COCC(C)[NH+](C)C(c1cc(Br)cs1)C(C)N,0
+C[NH2+]C1(P(=O)([O-])O)CC(C)(P(=O)([O-])O)P(=O)([O-])OP1(=O)[O-],0
+O=C(Cc1nc(-c2ccnc(F)c2)cc(=O)[nH]1)N1CCc2c(F)cccc21,1
+O=C(c1cc2n(n1)C(C(F)(F)F)CC(c1ccco1)N2)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1,0
+NCCOc1cncc(C=Cc2ccncc2)c1,1
+CCC(C)NC(=O)C(C)[NH+]1CCC(NC(=O)CC2CCCC2)CC1,0
+Nc1ncnc(N2CCC(c3nc(-c4cccc(C(F)(F)F)c4)c[nH]3)CC2)c1Br,1
+COc1ccc(NC(C)=O)cc1S(=O)(=O)NC1CC2(CC[NH+](C)CC2)Oc2ccccc21,0
+Cc1nn(-c2ccccc2)c2[nH]cc(C(=O)N3CC(C)CC(C)C3)c(=O)c12,0
+CC(C)c1ccc(-n2cc(-c3ccccc3)[nH]c2=NC(=O)CN(CC[NH+](C)C)C(=O)c2cccs2)cc1,0
+Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CCN3CCC3)CC2)c1OCC(F)(F)F,1
+CC[NH+](CC)CCN1C(=O)C(=O)C(=C(O)c2cc3ccccc3o2)C1c1cccc(Br)c1,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12,1
+CC([NH2+]CC(=O)NC(=O)NCc1ccco1)c1ccccc1Cl,0
+NC1(c2ccc(-c3nc4c(F)cc(F)cn4c3-c3ccccc3)cc2)CCC1,1
+CC(=O)Nc1cc(NC(=O)NCC[NH+]2CC(C)CC(C)C2)c(F)cc1F,0
+CCCSc1nc2n(n1)C(c1ccc(OC)c(OCC)c1)C(C(=O)Nc1ccc(C)cc1C)=C(C)N2,0
+Cc1ccc(NC(=O)CSc2nc3n[nH]c(C)c3c(=[NH2+])n2-c2ccccc2C)cc1,0
+CC(=O)Nc1cc(NC(=O)NCCC[NH+]2CC(C)CC(C)C2)c(F)cc1F,0
+NC(Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3[nH]cc(C4CC4)c23)CC1,1
+COC(=O)C1(C#N)C(c2ccc(Br)cc2)C(C(N)=O)N2C=Cc3ccccc3C21,0
+CC1SCc2ncnc(N3CCN(C(=O)C(N)Cc4ccc(F)c(F)c4)CC3)c21,1
+CC1c2cc3c(cc2C2(CCCC2)C[NH+]1CC(=O)NCc1ccc(OCC(N)=O)cc1)OCCO3,0
+NC(=O)c1c(NC(=O)C[NH+]2CCN(Cc3ccc(Cl)s3)CC2)sc2c1CCC2,0
+NC1(c2ccc(-c3nn4ccc(=O)nc4cc3-c3ccccc3)cc2)CCC1,1
+CC(C)C1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+COc1ccc2c(c1)=[NH+]C(C(C#N)=Cc1ccccc1OCc1cccc([N+](=O)[O-])c1)[NH+]=2,0
+CC(NC(=O)NCCc1cccs1)c1ccc(N2CC[NH+](C)CC2)cc1,0
+Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)c2cccc(Cl)c2)cc1,0
+O=C(Nc1ccccc1F)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+CC(C)[NH+](CCNC(=O)NCC1(O)CCCc2ccccc21)C(C)C,0
+CC(NC(=O)c1ccc2c(c1)CCO2)c1ccc2c(c1)NC(=O)CO2,0
+CC1Cc2cc(F)ccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+Nc1ccc[nH+]c1N1CCN(c2n[nH]c(=O)[nH]c2=O)CC1,0
+CCCCNC(=O)N1CC[NH+](C(C)c2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)CC1,0
+Cc1ccc(OC(C)C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1,0
+CC[NH+](CCC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)NC(c1ccc(C)cc1)c1cccs1,0
+Cn1cnc2c(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)ccc21,1
+O=C(NN=Cc1ccc(O)cc1O)C1CC(=O)N(Cc2ccco2)C1,0
+O=S1(=O)CCC([NH2+]C2CCCc3cc(O)ccc32)CC1,0
+CC1CN(C(=O)CC2CCCC([NH3+])C2)CC(C)(C)O1,0
+CC(C)NC(=O)NC(=O)C(C)Nc1ccc(CC[NH+]2CCSCC2)cc1,0
+O=C(NCCCNc1ccccc1)NCc1ccc[nH+]c1N1CCCCC1,0
+O=c1[nH]sc2c1c(=O)c1cc(F)c(NCc3ccccc3)c(F)c1n2C1CC1,1
+NC(=O)C1CCC[NH+]1Cc1ccccc1NC(=O)CCC(=O)c1ccc2c(c1)OCCO2,0
+O=C(C[NH+]1CCCC(O)C1)Nc1ccc(NC(=O)c2cccs2)cc1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cccc(C(F)(F)F)c1,1
+Nc1cc(N2CCC(c3nc(-c4cccc(F)c4)cn3CCN3CCCC3)CC2)ncn1,1
+Cc1ccc(COc2ccc(CCC[NH+](C)CCO)cc2N)cc1,0
+CC1CCc2c(sc(NC(=S)NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)c2C(N)=O)C1,0
+NC1(C(=O)NC(CCN2CCCC2)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,1
+CC(NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)c1ccc(S(N)(=O)=O)cc1,0
+CC(C)(C)OC(=O)NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+CC(C)(C)OC(=O)NCC(=O)N1CCC[NH+](CC(N)=O)CC1,0
+Cc1c(Cl)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1-c1ccn[nH]1,1
+CCN1C(=O)c2cc(I)ccc2NC1C=CC1=c2cc(OC)ccc2=[NH+]C1,0
+Oc1ccc2c(c1)C(O)CC1(CC[NH+](CC(O)c3ccc4c(c3)OCCCO4)CC1)O2,0
+NC(=O)CSC1NN=C(C2=c3ccccc3=[NH+]C2)N1c1ccc(Cl)cc1,0
+O=C1CNC(N=C([O-])Cc2csc(-c3ccc(Cl)s3)n2)=N1,0
+C[NH+](C)C(CNC(=O)Nc1ccc(OCC(N)=O)cc1)c1ccsc1,0
+COc1ccc(C[NH+](C)C(C)C(N)=NO)cc1Br,0
+NS(=O)(=O)c1cc(C(=O)NCC2CCC[NH+]2CC2CCCCC2)cs1,0
+CC(C)NC(=O)NC(=O)C[NH+](CC(=O)NC(=O)NC(C)C)Cc1ccsc1,0
+CC([NH3+])C(c1ccc(Br)s1)N1CCN(CCO)CC1,0
+C#Cc1cc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)ccc1F,1
+CC(CNS(=O)(=O)c1c(NN)nc2sccn12)[NH+](C)C,0
+CC1CCCC(C(=O)NCC2CCCOC2)C1[NH3+],0
+C[NH2+]CC1CCC[NH+](C(C)(C(=O)[O-])c2ccc(Br)cc2)C1,0
+CNC1=C(C(=O)NCC(C2=c3ccccc3=[NH+]C2)c2cccs2)C(C)NS1,0
+COc1ccccc1C(C)[NH2+]C(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1,0
+O=C(CCNC1=NS(=O)(=O)c2ccccc21)Nc1[nH+]cccc1O,0
+CC(C)(C)Oc1nc(Sc2nc(N)cc(=O)[nH]2)ccc1N,0
+CCOc1cccc(C2CC(c3ccc(Br)cc3)=NC(c3ccc(C(=O)OC)cc3)[NH2+]2)c1O,0
+COC(=O)C1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)C1c1cccc([N+](=O)[O-])c1,0
+CCOc1c(Br)cc(Br)cc1C[NH2+]C1CCCC(O)C1,0
+O=C(C[NH+]1CCN(C(=O)c2cc(Cl)c3c(c2)OCCCO3)CC1)Nc1ccccc1C(F)(F)F,0
+O=C(NCC(O)c1ccc(OC(F)(F)F)cc1)NC1CC[NH+](C2CC2)CC1,0
+COCCCNC(=O)C[NH+]1CCN(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC1,0
+COc1ccc(C)cc1NC(=NC(=O)c1ccc(Cl)cc1)NCCc1c(C)nn(C)c1C,0
+COc1ccc(S(=O)(=O)N2CCN(C(C)C(=O)Nc3ccccc3Cl)CC2)cc1[N+](=O)[O-],0
+CC([NH2+]Cc1ccc(S(N)(=O)=O)cc1)c1ccccc1Br,0
+CC1CCC2C(CCCN2C(=O)Cn2cnc3sccc3c2=O)C1,0
+Cc1c[nH]c2ncnc(N3CCC(N)(CNC(=O)Cl)C3)c12,1
+Cc1cc(C)c(NC(=O)C(C)[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c(C)c1,0
+CC1CN(c2cc(=O)[nH]c(CC(=O)N3CCc4c(F)cccc43)n2)CCO1,1
+CC([NH2+]C(C)c1ccccc1Br)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F,0
+CCC(C)(C)c1ccc(OCCCCNC(=O)c2csc(C(C)[NH3+])n2)c(C(C)(C)CC)c1,0
+Cc1ccc(NC(=O)C([NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)c2ccccc2)cc1Cl,0
+Cc1nc2nc(-c3ccc(CN4CCC(c5nc6cccnc6[nH]5)CC4)cc3)c(-c3ccccc3)cn2n1,1
+CC1Oc2ccccc2OC1C(=O)Nc1cccc2cn[nH]c12,0
+CC(C)(N)c1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4ccccc4)nc32)cc1,1
+CC(Cn1cc[nH+]c1)NC(=O)NCC(c1c(F)cccc1Cl)[NH+]1CCCC1,0
+Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(Br)c1,0
+COc1ccc(CCNC(=[NH2+])NCCCN2C(=O)NC3(CCCC3)C2=O)cc1,0
+CC1CC(NC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)CC(C)[NH2+]1,0
+CCC(C)(C)c1ccc(OCCCC(=O)NN=Cc2ccc(O)c(O)c2O)c(C(C)(C)CC)c1,0
+C=Cc1cc(OC)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+CC1CN(C(=O)C2CCCC(C[NH3+])C2)CC(C)(C)O1,0
+CCCn1nc(-c2nnc([S-])n2N)cc1C,0
+Cc1ccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)nc2c1C,0
+NS(=O)(=O)c1ccc2nc(NC(=O)C3CCCN(S(=O)(=O)c4cccs4)C3)sc2c1,0
+CC(C)n1c(SC(C[NH3+])c2cc(Br)cs2)n[nH]c1=O,0
+O=C(C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1)N1CCN(c2cccc[nH+]2)CC1,0
+O=C(NCC(O)c1ccc(Cl)cc1)C(=O)Nc1cccc(F)c1F,0
+COc1cc(OC)nc(CN2CCN(CC3=NS(=O)(=O)c4cc(Cl)ccc4N3)CC2)n1,0
+CCOc1cc(C[NH2+]CC2CCCO2)cc(Br)c1OCc1ccc(F)cc1Cl,0
+CN(CC(=O)Nc1ccccc1Br)C(=O)C[NH+]1CCN(Cc2cccc(Cl)c2)CC1,0
+COC(C(=O)N(C(C(=O)NC1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl)C(C)(C)C)c1ccccc1,0
+CCOc1ccc2nc(SC3C(=O)[NH+]=c4ccc(Cl)cc4=C3c3ccccc3)sc2c1,0
+CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3)CC1)c1ccc(Cl)cc1,1
+Cc1cc(NC(=O)C(C)N2CC[NH+](CC(=O)Nc3ccc(F)cc3)CC2)ccc1Br,0
+CC1CCC(CNS(=O)(=O)c2ccc(C[NH3+])s2)CC1,0
+CCOC(=O)C1CC[NH+](Cc2c(O)cc(C)c3c2OC(=Cc2ccc(Cl)c(Cl)c2)C3=O)CC1,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)c2csc3ccccc23)CC12CC[NH2+]CC2,0
+COc1ccc(C[NH2+]Cc2ccc(C)s2)c(OCC(O)C[NH+]2CCCCCCC2)c1,0
+CC(c1nnc(SCC(=O)Nc2ccccc2Br)n1-c1ccc(Cl)cc1)[NH+](C)C,0
+CC[NH+](CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)Cc1ccccc1Cl,0
+Cc1n[nH]c(C)c1C(C)NC(=O)C1CN(C(=O)C2(C)CCCCC2)CC12CC[NH2+]CC2,0
+COC(=O)c1cc(Br)cc(Br)c1NC(=O)C1CC(O)C[NH2+]1,0
+CCOc1cc(C[NH2+]CCNCC(C)O)cc(Br)c1OC,0
+[NH3+]Cc1cn(CC2CCN(C(=O)Nc3ccccc3-c3ccccc3)CC2)nn1,0
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1cccc2ccccc12,1
+COc1cc(C2NCCC3=c4ccccc4=[NH+]C32)ccc1OCC(N)=O,0
+CCCc1ccc(C(C)[NH+](CC(N)=O)CC(=O)Nc2ccccc2C)cc1,0
+CC(O)c1ccccc1NC(=O)C1CSC[NH2+]1,0
+CC1CCC2C(CCCN2C(=O)C2CCN(C(=O)N3CCCC3)CC2)C1,0
+O=C(NCc1cn2c([nH+]1)CCCC2)NCC1(O)CCCc2ccccc21,0
+COC(=O)C[NH+]1C(c2ccc(OC)cc2OC)Nc2ccc(Br)cc2C1c1ccccc1,0
+CN(C)C(=O)N1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC1,1
+N#Cc1cc2cc3c(cc2nc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)OCCO3,0
+CCOc1ccc(NC(=O)CSC2=NC3(CCN(C(=O)OC(C)(C)C)CC3)N=C2c2cccs2)cc1,0
+COc1ccc(N2CCN(c3nc[nH+]c(N(Cc4ccccc4)c4ccccn4)c3N)CC2)cc1,0
+Nc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[NH+]2CCCC2)c1,0
+CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(CN3CCCC3)cc21,1
+CC(C)C(=O)Nc1ccc(S(=O)(=O)NCC(c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)cc1,0
+NC(CNc1ncc(-c2ccc3c(c2)CC(=O)N3)s1)Cc1ccc(C(F)(F)F)cc1,1
+CC12CCCC3(CO3)C1CC1C(C2)OC(=O)C1C[NH+]1CCN(C(=O)c2ccco2)CC1,0
+O=C1CSc2ccc(C(=O)Nc3cccc(S(=O)(=O)NC4=[NH+]CCC4)c3)cc2N1,0
+CC(C)Cc1nnc(NC(=O)NCc2nncn2C)s1,0
+CC(C(=O)NCCC1=c2cc(Cl)ccc2=[NH+]C1)C1CCN(S(=O)(=O)c2cccs2)CC1,0
+COc1cc(C(Nc2cccc[nH+]2)c2cc(Cl)c3cccnc3c2O)cc(Br)c1O,0
+O=P1(NNc2ncccn2)SC(NN=C2CCCCC2)=[NH+]C12CCCCC2,0
+Cc1ccccc1C[NH+](C)C(C)C(=O)NC(C)c1ccc(S(N)(=O)=O)cc1,0
+[NH3+]CCNc1ccc(C(=O)N2c3ccccc3Sc3ccccc32)cc1[N+](=O)[O-],0
+COc1nc(C)ccc1CNC(=O)NCc1cn2ccc(C)cc2[nH+]1,0
+COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccc(Cl)cc3)C2)C1c1ccc(C)cc1,0
+COc1ccccc1N(C)C(C[NH3+])c1ccc(F)c(Br)c1,0
+CCC(C)C(=O)N1CC(C(=O)NCc2sccc2C)C2(CC[NH2+]CC2)C1,0
+Cc1cccc(C(C)C)c1NC(=O)CN(CCC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,0
+COc1ccc(C2(C)NC(=O)N(CCCC[NH3+])C2=O)cc1OC,0
+CC1CC(O)c2ncnc(N3CCN(C(=O)C(CN(C)C(C)C)c4ccc(Cl)cc4)CC3)c21,1
+O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCN3CCCC3C2)cn1,1
+CC(C)C(CNC(=O)C(=O)Nc1ccccc1CC(N)=O)[NH+]1CCCCCC1,0
+Cn1nccc1-c1oc(C(=O)NC2CNCCC2c2ccc(Cl)cc2)cc1Br,1
+CCC(CO)[NH2+]CC(O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21,0
+CC(C[NH+]1CCCC1)NS(=O)(=O)c1cc(Br)ccc1N,0
+CC(NC(=O)CN1CCC[NH+](CC(=O)NC(C)(C)C)CC1)c1cccc2ccccc12,0
+O=C1NCCCC1NC(=O)C1CC=CCC1C(=O)[O-],0
+Cc1ccc2c(c1)=C(CC[n+]1c([O-])cc3nn(-c4ccccc4)c(O)c3c1C)C[NH+]=2,0
+Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)c[nH]3)CC2)c1Br,1
+C[NH+]1CCN(Nc2ncnc(NCCN3CCOCC3)c2N)CC1,0
+CCOC(=O)C1=C(C[NH+]2CCCN(C(=O)C3CCC3)CC2)N(CC)C(=O)NC1c1ccc(Cl)cc1,0
+NC(=O)C1CCC[NH+]1Cc1cccc(NC(=O)C=Cc2ccc(N3CCCC3=O)cc2)c1,0
+CC[NH+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1ccc(Br)s1,0
+CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)c3)cc2s1,1
+CC(C)c1ccc(NC(=NC(=O)c2ccc(F)c(Cl)c2)NCCC2=c3ccccc3=[NH+]C2)cc1,0
+Cc1oc2nc[nH]c(=O)c2c1C(=O)NCCc1c[nH+]c[nH]1,0
+CCOC1CCC[NH+](C(c2ccccc2Br)C([NH3+])CC)C1,0
+CC[NH+](CC)CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc2ccc(S(C)(=O)=O)cc2s1,0
+[NH3+]CC#Cc1ccc(Cl)c(NC(=O)c2ccc(Cl)o2)c1,0
+NS(=O)(=O)c1ccc(CC(=O)NCC2CCC[NH+]2CC2CCCCC2)cc1,0
+CC[NH+](CC(=O)NCC(=O)Nc1cccc(Cl)c1C)CC(=O)NC(C)(C)C,0
+CCOc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1Br,0
+Cc1ccc(C)c2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)Nc3ccc(F)cc3)cc12,0
+CC[NH+](CC)CC(C)NC1C(=O)Nc2c(C)cc(Br)cc21,0
+NCC(Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,1
+CC(=O)c1ccc(NC(=O)NCC2CC3CC[NH+]2CC3CN2CC[NH+](C)CC2)cc1,0
+CC([NH2+]Cc1cccc(S(N)(=O)=O)c1)c1ccccc1Br,0
+NS(=O)(=O)c1ccc(NC(=O)c2ccc(NC(=O)CCC3COc4ccccc4O3)cc2)cc1,0
+CCc1c(N)ncnc1N1CCC(c2nc(-c3cccc(Cl)c3)cn2CCN2CCCC2)CC1,1
+COc1ccc(CCC(=O)N(C(C(=O)NC(C)(C)CC(C)(C)C)c2c(O)cc(O)cc2O)C(C)(C)C)cc1,0
+CC(C)C(C[NH+](C)C)NS(=O)(=O)c1c(N)cc(Br)cc1Br,0
+CC(=O)N1CCN(Cc2coc3c(Cl)cc(Cl)cc3c2=O)CC1,0
+CC(C)CCC(C)[NH2+]C1C(=O)Nc2c(Br)cc(F)cc21,0
+CC(C)CC(CO)[NH2+]CC(O)c1cc(Cl)ccc1Cl,0
+O=C(Nc1ccc2c(c1)CCO2)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+C[NH+](Cc1cccc(C(N)=[NH2+])c1)Cc1ccc(F)c(Br)c1,0
+CC(=O)Nc1cccc(CNc2c(Nc3ccc4[nH]ncc4c3)c(=O)c2=O)c1,1
+CCOC(=O)c1ccc(Oc2coc3c(C[NH+]4CCN(c5ccccc5)CC4)c(O)ccc3c2=O)cc1,0
+CCn1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(OCCCN)c21,1
+N#Cc1c[nH]c2ncnc(N3CC4(CCNCC4)c4ccccc43)c12,1
+COc1cc(C[NH2+]C2CCCCC2O)cc(Br)c1O,0
+O=C(c1ccc[nH+]c1N1CCCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,0
+CCOc1cc(CC(C)[NH3+])cc(Br)c1OC(C)C(=O)NC,0
+Cc1ccc(NC(=O)C2CC(=O)NC(Nc3nc(C)c4ccccc4n3)=[NH+]2)cc1Cl,0
+c1ccc(-c2nnc[nH]2)c(Nc2ncnc3[nH]ccc23)c1,1
+CC1C(C(=O)NNC(=O)C2=c3ccccc3=[NH+]C2)=CNN1c1ccc(Cl)cc1,0
+CC(=O)Nc1ccc(S(=O)(=O)NCC(c2ccc(N(C)C)cc2)[NH+]2CCCC2)c(C)c1,0
+O=C(c1cc(Cl)ccn1)N1CCCC1c1cccc2c1OCCO2,0
+Cc1ccc(S(=O)(=O)N[NH+]=c2oc3c(O)cc(C(C)(C)C)cc3cc2C(=O)Nc2ccccc2C)cc1,0
+CN(Cc1ccc(Cl)s1)C(C[NH3+])c1ccc(Br)cc1,0
+O=C(c1ccccn1)N1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+CC1(C)Cc2cccc(OC(C[NH3+])c3ccc(Br)s3)c2O1,0
+C=CCNC(=O)NC(=O)C(C)[NH2+]CC1(c2ccc(F)cc2)CCOCC1,0
+CC(C)(C)c1cccc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1,1
+COc1ccc(C2C3[NH+]=c4ccc(Cl)cc4=C3CCN2C(=O)Nc2ccc3c(c2)OCCO3)cc1,0
+O=C(NC1CCCc2ccccc21)c1ccc(CN2CC[NH+](CC=Cc3ccccc3)CC2)[nH]c1=O,0
+C[NH+](C)Cc1cccc(NC(=O)C(=O)NCC2(O)CCCc3ccccc32)c1,0
+CC(NC(=O)C[NH2+]C(C)(C)CC(C)(C)C)c1ccc(NC(=O)C2CC2)cc1,0
+CC1CCCC(NC(=O)CN2CC[NH+](CCC(=O)NC(N)=O)CC2)C1,0
+CCOC(=O)N1CCC([NH2+]C(C)C(=O)NC(=O)NC)CC1,0
+COc1ccccc1N1C(=O)C2C(C1=O)C1c3ccccc3C=C[NH+]1C2C(=O)Nc1ccc(Cl)cc1,0
+NC(=O)CCN(C(=O)C[NH+]1CCCC1C[NH+]1CCCC1)c1ccc(F)cc1,0
+COc1cccc(O)c1C[NH+](CCN1CCCCC1)CC1CCC[NH+](C2CCCC2)C1,0
+CC(C)[NH+](C)Cc1ccccc1CNC(=O)C(=O)Nc1sccc1C(N)=O,0
+O=C(NCCCc1ccccc1)C1C[NH2+]CC1C(=O)NC1CCCc2ccccc21,0
+CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)C3c2cccc(Br)c2)CC1,0
+CCc1nn(-c2ccc(F)cc2)c(N2CC[NH+](C)CC2)c1C[NH+](Cc1ccc(C)s1)C(C)CC,0
+O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cc(Cl)c(O)c(Cl)c1,0
+COc1ccc(OC)c(CCNC(=O)NCCC[NH2+]C2CCCCC2)c1,0
+Cc1ccc(C2=NC(c3ccc(Cl)c([N+](=O)[O-])c3)[NH2+]C(c3cc(Br)ccc3O)C2)cc1,0
+C[NH+]1CCN(C(=S)SCc2nc(N)nc(=Nc3ccc4ccccc4c3)[nH]2)CC1,0
+Nc1ncnc(N2CCN(C(=O)C(N)Cc3ccc(Cl)cc3)CC2)c1Br,1
+CC([NH3+])C(OCC1CCOC1)c1cc(Br)cs1,0
+COc1ccc(S(=O)(=O)c2c(Nc3ccccc3F)sc(C(=O)c3ccccc3)c2N)cc1,0
+C[NH2+]C(c1cc2[nH]c(=O)[nH]c2cc1Br)C1CCCC1,0
+COc1cccc(C(C)NC(=O)c2ccc(N)cc2N)c1,0
+CC(=NNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)c1ccccc1O,0
+CC[NH+]1CCN(Cc2c(O)ccc3c(=O)c(Oc4ccc(C(=O)OC)cc4)c(C(F)(F)F)oc23)CC1,0
+Cc1ccsc1C(C(C)[NH3+])N1CCCC1c1cccnc1,0
+Nc1ccc(-c2nnc(C3CCN(Cc4ccc(-c5nc6nc(N7CCN(CCO)CC7)ccc6nc5-c5ccccc5)cc4)CC3)[nH]2)cn1,1
+C[NH2+]C(c1cc2[nH]c(=O)[nH]c2cc1Br)C1CCCCO1,0
+CC(NC(=O)C(C)[NH+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1,0
+COc1ccccc1NC(=O)NC(CC1=c2ccccc2=[NH+]C1)C(=O)NN,0
+Cc1cc(C(C#N)c2nc3c(s2)CCCC3)nc(Cl)n1,0
+CCC(=NNc1nnc(SCC(=O)Nc2ccc(C(C)CC)cc2)n1N)c1ccccc1,0
+Cc1nn(-c2ccccc2)c(C)c1C1C(=O)NCC[NH+]1CC(=O)NC(=O)Nc1ccccc1F,0
+Cc1ccc(C)c(NC(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)[nH+]3)cc2)c1,0
+CC(CC1=c2ccccc2=[NH+]C1)NC(=O)C(C(C)C)N1NNc2ccccc2C1=O,0
+C[NH+](CC(=O)NC(=O)NCCC1=CCCCC1)CC(=O)Nc1ccccc1Cl,0
+COc1cc(C[NH2+]Cc2c(C)nn(-c3cc(C)ccc3C)c2Cl)ccc1O,0
+COc1ccc(CNC(=O)CNC(=O)NCC2([NH+](C)C)CCCC(C)C2)cc1,0
+CSc1ccccc1NC(=O)C[NH+](C)C(C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F,0
+C[NH+]1CCN(CC(=O)Nc2sc3c(c2C(=O)[O-])CC(C)(C)[NH2+]C3(C)C)CC1,0
+NC1=NS(=O)(=O)[N-]C1c1ccc(Cl)cc1,0
+NC(=O)c1ccc(NC2CNCCC2c2ccc(F)c(Cl)c2)c2cncnc12,1
+CCn1c(-c2nonc2N)nc2c(C#CCN)ncc(OCCCN)c21.O=C(O)C(F)(F)F,1
+C[NH+](C)CCCNC(=S)NCC(C1=c2ccccc2=[NH+]C1)c1ccc(Cl)cc1Cl,0
+CCOC(=O)C1=C(CSC2NN=C(C3=c4ccccc4=[NH+]C3)O2)NC(=O)NC1CC,0
+Cc1cc(C)c2nc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)sc2c1,0
+NC(=[NH2+])c1ccc(Oc2ccc(Br)cc2Cl)c(F)c1,0
+C[NH+]1CCC(NC(=O)C2COCCO2)(C(N)=NO)CC1,0
+Cc1ccc(OCC(C)NC(=O)NCc2cc[nH+]c(N3CC[NH+](C)CC3)c2)cc1,0
+COc1cc(C[NH2+]C2CC2)cc(Br)c1OCC(C)C(N)=O,0
+CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(F)c3)cn2CCN2CC3(COC3)C2)CC1,1
+OC(C[NH2+]C1CCCc2ccccc21)COCc1ccccc1F,0
+CCN1C(=O)C(=CNc2[nH]ncc2C#N)C(=O)N(CC)C1=S,0
+Cc1c(C(=O)NN=Cc2ccc(C=NNC(=O)c3sc(N)c(C#N)c3C)cc2)sc(N)c1C#N,0
+Cc1cccc(-c2nc(C3CCN(Cc4ccc(-c5nc6nccn6cc5-c5ccc(F)cc5)cc4)CC3)n[nH]2)n1,1
+CC1COCCN1c1nc(N2CCOCC2)nc2nc(-c3ccc(N)nc3)ccc12,1
+CCc1ccc(C(CNC(=O)Nc2ccc(NC(=O)COC)cc2)[NH+](C)C)cc1,0
+CC1CCC(C[NH2+]C(C)c2ccc(S(N)(=O)=O)cc2)CC1,0
+NC(=[NH2+])c1ccccc1COc1ccc(Br)cc1,0
+c1ccc(-c2cc3ncccc3nc2-c2ccc(CN3CCC(c4n[nH]c(-c5ccccn5)n4)CC3)cc2)cc1,1
+COc1ccc(NC(=S)NC(=[NH2+])N2CCN(Cc3ccccc3)CC2)cc1,0
+COc1ccc(C(CNC(=O)C[NH+]2CCCC2C(N)=O)[NH+]2CCCCC2)cc1,0
+O=C(NCCCNc1ccccc1)NCC(c1cccs1)[NH+]1CCCC1,0
+CC1CN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CCN1,1
+NC(=O)Nc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3ccn12,1
+CC(C(=O)N1CCCC(C(N)=O)C1)[NH+]1CCCC(C(=O)NC2CC2)C1,0
+NC(=O)c1ccsc1NC(=O)C[NH+]1CCCC1c1nc2ccccc2s1,0
+CCOC(=O)C1=C(C)OC(N)=C(C(=O)OC)C1c1ccc2c(c1)c1ccccc1n2CC,0
+CCOc1cc(C[NH2+]C(CC)CO)c(Br)cc1OCC(N)=O,0
+CCOc1ccc(C=NNC(=O)C(NC(=O)c2ccc(Cl)c(Cl)c2)C(C)C)cc1Br,0
+CC[NH+](CC)CCCC(C)NC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2C)c1C,0
+O=c1[nH]cnc2c1ncn2C1CC(O)C(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O1,0
+CCN1C(CC(=O)Nc2ccc(C)cc2C)NNC1SCc1nc2ccccc2c(=O)[nH]1,0
+COc1ccccc1C(=O)N[NH+]=c1oc2cc(O)ccc2cc1-c1nc2ccccc2[nH]1,0
+[NH3+]CC(O)c1cc(Br)c2c(c1)OCCO2,0
+O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1N=C2CCCCC2C1(O)C(F)(F)F,0
+Cc1cccc(C)c1NC(=S)NNC(=O)c1ccccc1C1=[NH+]CCCN1,0
+COc1cc(C[NH+](Cc2ccc(C(O)(c3ccccc3)c3ccccc3)o2)C(C)C)cc(OC)c1,0
+CC1CC(C)C[NH+](Cc2csc(NC(=O)CN3C(=O)NC4(CC(C)CC(C)(C)C4)C3=O)n2)C1,0
+COc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CC(C)(C)[NH2+]C2(C)C,0
+COc1ccc(C)cc1NC(=O)C([NH2+]Cc1ccc(S(N)(=O)=O)cc1)c1ccccc1,0
+CC(NC(=O)C(C)[NH+](C)Cc1ccccc1)c1ccc(S(N)(=O)=O)cc1,0
+CCOc1ccc(Nc2c(C)c(NCCC3CCC[NH2+]3)c(C#N)c3ccnn23)cc1,0
+Cc1ccc(NC(=O)OC(C)[NH+]2CCCCC2)cc1NC(=O)OC(C)[NH+]1CCCCC1,0
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,1
+COc1ccc(C(=O)NCC(C2=c3ccccc3=[NH+]C2)c2ccccc2Cl)cc1OC,0
+Cc1cc(Br)ccc1NC(=O)CN1C2CCC1CC([NH3+])C2,0
+CC1CC[NH+](CC(O)CNC(=O)NCCC[NH+]2CC(C)CC(C)C2)CC1,0
+Cc1cccc(NC(c2ccc(Cl)cc2)c2ccc3cccnc3c2O)[nH+]1,0
+CCOc1cc2c(cc1OC)C(c1cc(Cl)ccc1O)[NH2+]CC2,0
+Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,1
+O=C(NCC1C=c2ccccc2=[NH+]1)c1ccc2c(c1)NC(Cc1ccccc1)O2,0
+CC1(C)CC(N(Cc2ccccc2F)C(=S)Nc2ccccc2)CC(C)(C)[NH2+]1,0
+CC(c1ccccc1F)[NH+](C)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1,0
+NC1(c2ccc(-c3c(-c4ccccc4)ccn4ccnc34)cc2)CCC1,1
+COc1ccc(NC(=O)C2C3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)C3C3c4ccccc4C=C[NH+]23)cc1,0
+O=C(NCC1CCC[NH+]2CCCCC12)C(=O)Nc1cccc(O)c1,0
+O=C(C[NH+]1CCCC1c1ccc2c(c1)OCCCO2)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1,0
+CCOC(=O)NC(=O)c1c(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)sc2c1CCC(C)C2,0
+CCOc1nc2c(c(C)nn2-c2cccc(C)c2)c(C)c1CCC(=O)NCCC1=c2ccccc2=[NH+]C1,0
+NC(CNc1ncc(-c2ccc3nnccc3c2)s1)Cc1ccc(C(F)(F)F)cc1,1
+CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(OC)c3)cn2CCN2CCC2)CC1,1
+Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC(C)C)C(=O)CSC3c2cccs2)c(C)c1,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4cccc(-c5ccccc5)c4)c3)cc12,1
+NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1ccc2ccccc2c1,1
+CC1(C)CC(NC(=S)Nc2ccccc2C(F)(F)F)CC(C)(C)[NH2+]1,0
+CCOc1cccc(C2CC(c3ccc(CC)cc3)=NC(c3ccc(F)cc3)[NH2+]2)c1O,0
+CCOc1ccccc1C(=O)N1CC(C(=O)NCc2cc3ccccc3[nH]2)C2(CC[NH2+]CC2)C1,0
+COc1ccc2c(c1)C1=NC(=S)N(CCCCC(=O)N3CC[NH+](C4CCCCC4)CC3)C(=O)C1=N2,0
+COC(=O)C1(c2ccccc2)[NH2+]C(c2cccc(Cl)c2)C2C(=O)N(c3ccc(Cl)cc3)C(=O)C21,0
+COc1ccc2c(c1)=C1CCN(C(=O)Nc3ccc(Br)cc3)C(c3ccc(C)cc3)C1[NH+]=2,0
+C=CCn1nc(C(=O)N2CCCCCC2)c2c1CCC([NH2+]CCc1ccc(S(N)(=O)=O)cc1)C2,0
+Oc1c(Br)cc(Br)cc1C=NN1C(=S)[NH+]=NC1c1ccc(Cl)cc1,0
+[NH3+]Cc1cn(Cc2cc(=O)n3cc(Br)ccc3n2)nn1,0
+O=C(Nc1ccccc1I)C1CC(O)C[NH2+]1,0
+Nn1c(NN=C(Cc2ccccc2)Cc2ccccc2)nnc1SCCC(=O)Nc1ccccc1Cl,0
+COc1ccc(S(=O)(=O)N2CCCC2c2c(C)noc2C)cc1Cl,0
+O=C(NCC1CCCO1)C1C[NH2+]CC1C(=O)NCC(c1ccccc1)c1ccccc1,0
+Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1,1
+CS(=O)(=O)OCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,1
+CC(C)[NH+]1CCC(CNS(=O)(=O)c2ccc(N)cc2Br)C1,0
+CC(=O)NCC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,1
+COC1C(NC(=O)c2ccco2)c2ccccc2C12CC[NH+](CC1=CCC3CC1C3(C)C)CC2,0
+COc1ccc(O)c(C(=O)c2ccc(C(=O)NC3CCCNCC3NC(=O)c3ccncc3)cc2)c1F.Cl.Cl,1
+COc1ccc(C)cc1N(C(=O)Cn1nnc2ccccc21)C(C(=O)NCCC(C)C)c1ccc(C)cc1,0
+COc1ccccc1C(=O)Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,1
+Cc1ccc(-n2c(CNc3ccc(C)c(Cl)c3)nnc2SCC(=O)c2ccccc2)cc1,0
+NC(=[NH2+])NN=C1C(=O)N(C2CCCCCC2)C(=O)C1C(=O)NC1CCCCCC1,0
+CCC(CC)(CO)[NH2+]CC(O)COc1ccc(C)cc1Br,0
+CCOc1ccccc1CN(C(=S)Nc1ccc(Cl)c(Cl)c1)C1CC(C)(C)[NH2+]C(C)(C)C1,0
+C[NH+](C)C(CNC(=O)NNC(=O)Cc1ccc(Cl)cc1)c1ccc(F)cc1,0
+Cc1nc2sc(=Cc3ccc(C(C)(C)C)cc3)c(=O)n2n1,0
+Cc1ccc(Nc2nc(N)nc(C[NH+](C)Cc3ccco3)n2)cc1,0
+CC(C)(C)N1C(=O)C2C(CC(N)=O)[NH2+]C3(C(=O)Nc4c(Cl)cccc43)C2C1=O,0
+O=C(c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)N1CCOCC1,0
+CC1C[NH+](CC(O)c2ccc(N)cc2)CCCO1,0
+CC12CCCCC1CCC1C2CCC2(C)C1CCC2(O)C[NH+](CCO)CCO,0
+NS(=O)(=O)c1ccc(NC(=O)C[NH+]2CCc3sccc3C2c2cccs2)cc1,0
+CN1C(=O)C2C([NH+]=CN2C2OC(CO)C(O)C2O)N(C)C1=O,0
+O=C([O-])C1[NH2+]C(c2ccc(C=Cc3ccccc3)cc2)C2C(=O)N(CC[NH2+]Cc3ccccc3)C(=O)C12,0
+CC(=O)Nc1cc(NC(=O)NC(C)C[NH+]2CC(C)CC(C)C2)c(F)cc1F,0
+CC1CCCC(C)N1C(=O)CN1C(=O)NC2(CCCc3sccc32)C1=O,0
+Cc1c(C(N)=O)sc(NC(=O)CN2CC[NH+](CC=Cc3ccccc3)CC2)c1C(=O)OC(C)C,0
+O=C(CSc1n[nH]c(NN=C(Cc2ccccc2)Cc2ccccc2)n1)Nc1ccc([N+](=O)[O-])cc1,0
+Cc1ccc2cc(CNC(C)c3cccc4ccccc34)c(N3CCC(O)CC3)[nH+]c2c1,0
+Cc1n[nH]c2cnc(-c3cncc(OCC(N)Cc4cccc(F)c4F)c3)cc12,1
+NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ncccc3-4)cc2)CCC1,1
+Brc1ccc2c(c1)-c1nnc(-c3ccc(CN4CCC(c5nnc(-c6ccccn6)[nH]5)CC4)cc3)n1-c1cccnc1N2,1
+CC(=O)NCC1CCC[NH+](CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1,0
+COc1ccccc1CNC(=O)C1CSCC(c2ccc(C)cc2C)[NH2+]1,0
+[H]N=C1N=C2N=CN=C2C(SC(C)C(=O)NC2(c3ccccc3)CCCCC2O)N1,0
+COc1cc(C[NH3+])cc(OC)c1OCc1ccc(Br)s1,0
+Cn1c(=O)c2[nH]c(NC3CCCCC3[NH3+])nc2n(C)c1=O,0
+COc1ccc(-c2csc(NC(=O)COc3cc(C)ccc3C(C)C)n2)cc1Br,0
+O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NCC(C1=c2ccccc2=[NH+]C1)c1ccccc1Cl,0
+CC(C)C(O)C[NH+](C)Cc1nn(-c2ccc(Cl)cc2)c2c1CN(Cc1cccc(Cl)c1)CC2,0
+CCOc1ccc(C2CCC[NH+]2CC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1,0
+NC(=O)C1(COc2ccn3c(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nc3n2)CC1,1
+COc1cc2c(c(C)c1C)OC(C)(CCCC(C)C)CC2,1
+CC(C)Cn1c(N2CC[NH+](CC(N)=O)CC2)nc2c1c(=O)[nH]c(=O)n2C,0
+COc1ccc(OCC(=O)NNC(=O)NCc2ccccc2C[NH+](C)C)cc1,0
+C=Cc1c(N)ncnc1N1CCC(c2nc(-c3cccc(F)c3)cn2CCN2CCCC2)CC1,1
+N#Cc1c(NC(=O)N2CC[NH+](CC(=O)Nc3ccc(Br)cc3)CC2)sc2c1CCCC2,0
+N#Cc1c(NC(=O)Nc2cccc3ccccc23)sc2c1CC[NH2+]C2,0
+FC(F)(F)c1ccc2nc(C3CCN(Cc4ccc(-c5nc6ccnn6cc5-c5ccccc5)cc4)CC3)[nH]c2c1,1
+CCC[NH+]1CCc2c(sc(NC(=O)CSc3ccc(F)cc3)c2C(N)=O)C1,0
+Clc1ccc(C(NCc2ccccc2)c2ccc(-c3ncnc4[nH]cnc34)cc2)cc1,1
+CC1CCN(C(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)Nc4cccc(Cl)c4)CC3)C2=O)CC1,0
+C[NH+]1CCCC(CNS(=O)(=O)c2cc(Br)ccc2N)C1,0
+CC(C)Nc1nc2nc(-c3ccc(CN4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)c(-c3ccccc3)cn2n1,1
+CC1CCN(c2ccc(-n3nnc(C[NH3+])c3C3CC3)c[nH+]2)CC1,0
+Cc1cccc(C)c1S(=O)(=O)NCC(O)CN1CCCC2(CCN(c3ncnc(N)c3C3CC3)C2)C1,1
+C=Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(C(F)(F)F)c(F)c3)cn2CCN2CCCC2)CC1,1
+Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CC(=O)Nc2ccccc2)cc1,1
+N#Cc1cc(-c2ccccc2)c(-c2ccc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2)nc1N,1
+C(=NNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)C1=c2ccccc2=[NH+]C1,0
+CCCc1nc2oc3c(NCC[NH3+])ncnc3c2c2c1CCCC2,0
+COc1ccc(C(=O)Nc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)cc1,1
+CCOC(=O)c1ccc(NC(=O)C2CC(=O)NC(Nc3nc4ccccc4s3)=[NH+]2)cc1,0
+Oc1cccc(C=N[NH+]=C(Nc2ccccc2)c2nc3ccccc3[nH]2)c1,0
+C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2[nH+]cccc2[O-])c1,0
+NC1(C(=O)NC(CCS(N)(=O)=O)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,1
+O=C1NCCc2nc(-c3ccc(CN4CCC(c5nnc(-c6ccccn6)[nH]5)CC4)cc3)c(-c3ccccc3)cc21,1
+CN(C)c1ccc2ncnc(N3CCN(C(=O)C(N)Cc4ccc(Cl)cc4)CC3)c2c1,1
+CCCCOc1c(Cl)cc(C(=O)Nc2sc3c(c2C(=O)NCCOC)CCCC3)cc1Cl,0
+Cc1ccc2c(c1)c1c3n2CCN(CC(O)C[NH2+]Cc2ccccc2)C3CCC1,0
+NC(=O)NC(=O)C[NH+](CCCc1ccccc1)CC(=O)NC(N)=O,0
+COc1ccc(C(C(=O)NC(C)(C)C)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2)cc1,0
+COc1ccc2nc(N3CCN(C(=O)c4ccc5c(c4)CCCC5)CC3)sc2c1,0
+O=C(NCCC1=c2ccccc2=[NH+]C1)c1cccc(NC(=O)c2cccs2)c1,0
+CC(C)C([NH2+]CC(=O)N1CC(C(N)=O)Oc2ccccc21)c1cccs1,0
+CC(C)CC([NH3+])C(=O)NN=C1C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21,0
+O=C(NCCCCC(C(=O)NN=Cc1cccc(Br)c1)[NH+]1CCCCC1)c1ccccc1,0
+CCC(C)NC(=O)NC(C(=O)[O-])C(C)(C)C,0
+C[NH+](C)CC(C)(C)CNC(=O)C1CN(C(=O)c2ccc(C(F)(F)F)cc2)CC12CC[NH2+]CC2,0
+COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)c(Cl)cc1OCC(N)=O,0
+CCS(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C(=O)OC)CC(C)(C)[NH2+]C3(C)C)c1,0
+CCC([NH3+])C(c1ccccc1Br)[NH+](CCO)C(CC)CC,0
+C[NH+](Cc1csc(Br)c1)Cc1cc(N)ccc1O,0
+CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3)CC1)c1ccc(Cl)cc1,1
+CCNC(=O)COc1c(Br)cc(CC(C)[NH3+])cc1OCC,0
+CCCn1c(N)c(C(=O)C[NH2+]C(c2ccc(Cl)cc2)C(C)C)c(=O)[nH]c1=O,0
+CCOC(=O)Nc1cccc(NC(=O)NCC(C)(C)[NH+]2CCCC(C)C2)c1C,0
+CC(NC(=O)C1C[NH2+]CC1C(=O)NC1CCc2ccccc21)c1ccccc1,0
+CON(C)C(=O)c1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1,1
+CCc1ccc(NC(=O)C(C)NC(=O)C2CCN(C(=O)C([NH3+])C(C)C)CC2)cc1,0
+O=C(NCCC[NH+]1CCc2ccccc2C1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1,0
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(NC(=O)CNC(C)=O)CC4)cc3)nc2n1,1
+CC([NH2+]C(c1ccccc1)c1ccco1)C(=O)NC(=O)NCc1cccs1,0
+Cc1nc(NC(=O)NCC[NH+]2CCCC(C(N)=O)C2)nn1C(C)C,0
+O=C(Nc1cccc(Cl)c1)Nc1c(O)oc2ccccc2c1=[NH+]Cc1ccccc1,0
+CCOc1ccc(C(=O)NC([NH2+]CCC[NH+](C)C)C(Cl)(Cl)Cl)cc1,0
+CCC(NC(CC1=c2ccccc2=[NH+]C1)C(=O)OC)=C1C(=O)NC(=O)NC1=O,0
+CC(=O)c1ccc(S(=O)(=O)N2CC[NH+](CC(=O)Nc3ccccc3Oc3ccccc3)CC2)cc1,0
+N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1cc(Br)ccc1OC(F)F,0
+NC(=O)c1ccc(OCC(=O)NCC2CCC[NH+](Cc3cccs3)C2)cc1,0
+Fc1ccc2[nH]c(C3CCN(Cc4ccc(-c5ncc(-c6nn[nH]n6)cc5-c5ccccc5)cc4)CC3)nc2c1,1
+CC(C(=O)Nc1sc2c(c1C(N)=O)CCC2)[NH+]1CCCC(C(F)(F)F)C1,0
+Nc1ncnc(N2CCC3(CCCN(CC(O)CNS(=O)(=O)c4ccccc4Cl)C3)C2)c1C1CC1,1
+NC(=O)Nc1ccc(C(=O)OCC(=O)C2=c3ccccc3=[NH+]C2c2ccccc2)cc1,0
+CCCCCOc1cc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1Br,0
+C[NH+](Cc1csc(Br)c1)Cc1nc(NN)c2ccsc2n1,0
+CC(C)CCCC1(C)CCc2cc(S(N)(=O)=O)cc(F)c2O1,1
+NS(=O)(=O)c1ccc(C[NH2+]Cc2cc(Br)c(Br)o2)cc1,0
+Cc1ccccc1C[NH+](C)C(C)C(=O)NC(C)c1ccc(S(N)(=O)=O)cc1,0
+Nc1nc(N)nc(CSCC(=O)N(Cc2ccc(F)cc2)C23CC4CC(CC(C4)C2)C3)n1,0
+Cc1n[nH]c2ccc(-c3nnc(NCC(N)Cc4ccc(C(F)(F)F)cc4)s3)cc12,1
+CC(C)C(NC(=O)NCc1ccccc1)C(=O)NCC1CC[NH+](C(C)C)C1,0
+CC(=NNC(=O)CCCOc1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccc(Cl)cc2)c1,0
+CCC([NH3+])C(c1ccccc1Br)N1CCS(=O)(=O)CC1,0
+CC[NH2+]C(C)(CCCCn1nc(C)c(Br)c1C)C(N)=O,0
+CCC(C)C(=O)N1CC(C(=O)NCC[NH+](C(C)C)C(C)C)C2(CC[NH2+]CC2)C1,0
+CC(C)CCNC(=O)C(C)Oc1c(N)cc(C#N)cc1I,0
+NC(=O)c1c(NC(=O)C[NH+]2CCC(Oc3ccccc3F)CC2)sc2c1CCC2,0
+CC1Cc2c(Cl)cccc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)n1C,1
+CCC(C)C(NC(=O)C1Cc2ccccc2C[NH2+]1)C(=O)NCC1CCCO1,0
+Cc1nc(NC2CCCCC2)cc(Nc2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)[nH+]1,0
+CC[NH+]1CCN(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC1,0
+Nc1cc(Br)ccc1S(=O)(=O)N1CCCCC1CCO,0
+CC[NH+](CC1CCCO1)C(CN)c1cc(Br)cs1,0
+FC(F)(F)c1ccc(Cl)c(NC(=S)NNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)c1,0
+CC[NH+]1CCC(CNS(=O)(=O)c2c(Cl)cc(N)cc2Cl)C1,0
+Cc1ccc(C(=O)N2CC(C(=O)NC(C)CCCC(C)(C)O)C3(CC[NH2+]CC3)C2)cc1,0
+O=C(C[NH2+]Cc1c[nH]nc1-c1cc2ccccc2o1)Nc1ccc(F)c(F)c1,0
+CC[NH+](CC)CCN(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C(=S)NC(C)c1ccccc1,0
+NC(=O)C1CC2CCCCC2[NH+]1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F,0
+COC(=O)c1ccc(-c2ccc3c(c2)nn2cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nc32)cn1,1
+O=C(CC1C(=O)NCCN1C(=O)CN1CCN(c2cccc[nH+]2)CC1)Nc1ccc(Oc2ccccc2)cc1,0
+O=C1N(Cc2ccccc2F)CCCC1(O)C[NH2+]Cc1ccccc1Cl,0
+C[NH+](C)CCNC1N=C2N=[NH+]C(N)=C2C2=C1CN(Cc1ccccc1)CC2,0
+O=C(NCC(c1ccsc1)[NH+]1CCCCCC1)C(=O)Nc1ccccc1[N+](=O)[O-],0
+COc1ccccc1C(CNC(=O)Nc1ccccc1CC(N)=O)[NH+]1CCCC1,0
+COc1ccc(N2NC=C(C(C)[NH2+]Cc3[nH]c4ccc(OC)cc4c3C)C2C)cc1,0
+CC(=O)NC1(c2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5ccccc5)nc43)cc2)CCC1,1
+Fc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)c(F)c1,1
+CC(C)CC(NC(=O)c1ccc2c(c1)OCO2)C(=O)NC1[NH+]=c2ccccc2=[NH+]1,0
+COc1nc(Br)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12,1
+COc1ccc(C)cc1NC(=O)Nc1ccccc1C1C=c2ccccc2=[NH+]1,0
+NC(=O)NC(CC1=c2ccccc2=[NH+]C1)C(=O)Nc1ccc(Oc2ccccc2)cc1,0
+CCOc1cc(C=NNC(=[NH2+])NN=Cc2ccc(O)c(OCC)c2)ccc1O,0
+COc1c2c(cc3c1C(c1c(O)n(-c4ccccc4)c(=S)n(-c4ccccc4)c1=O)[NH+](C)CC3)OCO2,0
+Cn1c(CC(=O)Nc2ccccc2)nc(N2CCOCC2)cc1=O,1
+Cc1cnc(NC(=O)CNC(=O)N2CCC3=c4cc(Cl)ccc4=[NH+]C3C2)s1,0
+NC(=O)c1ccc(C[NH+](Cc2ccc(C(N)=O)cc2)Cc2ccco2)cc1,0
+COC(=O)c1cnn2cc(-c3c(F)cccc3F)c(-c3ccc(CN4CCC(c5n[nH]c(-c6ccccn6)n5)CC4)cc3)nc12,1
+[NH3+]CCC(=O)N1CCCC1C(=O)[NH+]=c1ccc2c(C(F)(F)F)cc(O)oc-2c1,0
+CCOc1cc(C[NH2+]C(C)C)cc(I)c1OCC(N)=O,0
+Cn1nccc1-c1csc(C(=O)NC2CNCCC2c2ccc(Cl)cc2)c1,1
+CC(C)(CNC(=O)COc1cccc(C(N)=O)c1)[NH+]1CCc2ccccc2C1,0
+CNC(=O)C1CCC(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1,0
+N#CC(=Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)NCC[NH+]1CCCCC1,0
+Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc2o1,1
+CC(C)NC(=O)c1ccccc1NC(=O)C[NH2+]C(C)(C)CC(C)(C)C,0
+CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccccc4F)c3)cc2s1,1
+O=C(C1CC(O)C[NH2+]1)N1CCC2(CCCCC2)CC1,0
+Cc1c[nH]c2ncnc(N3CCC(NS(=O)(=O)c4ccccc4)C3)c12,1
+NC1(c2ccc(-c3nc4c5cccc(-c6ccc(F)cc6)c5nn4cc3-c3ccccc3)cc2)CCC1,1
+Cc1ccsc1C(C(C)[NH3+])N1CCCC1c1cccnc1,0
+Fc1ccc(-c2cn3c(Cl)cnc3nc2-c2ccc(CN3CCC(c4n[nH]c(-c5ccccn5)n4)CC3)cc2)cc1,1
+CC(c1nc(N)nc(Nc2ccccc2)n1)[NH+](C)CC(=O)Nc1ccccc1C(F)(F)F,0
+CC(SC1NN=C(C2=c3ccccc3=[NH+]C2)O1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,0
+Oc1nc2ccccc2n1C1CCN(Cc2ccc(-c3nc4ccccc4cc3-c3ccccc3)cc2)CC1,1
+COc1ccc(Br)c2c(NN)cc(C(C)C)[nH+]c12,0
+c1ccc(-c2cc3cccnc3nc2-c2ccc(CN3CCC(c4cc(-c5ccccn5)[nH]n4)CC3)cc2)cc1,1
+COC(=O)c1c(NC(=S)NNS(=O)(=O)c2c(C)cc(C)cc2C)sc2c1CCC(C)C2,0
+Cc1nc2ccc(NS(=O)(=O)c3ccc(N)cc3)cc2nc1C,1
+CCCCCCC(=O)N1CC(C(=O)NC(C)c2c(C)n[nH]c2C)C2(CC[NH2+]CC2)C1,0
+CCCC[NH+](CCCC)Cc1c(O)ccc2c1OC(=Cc1cc(Br)ccc1OC)C2=O,0
+Cc1ccc(NC(=S)N(Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)c(Cl)c1,0
+CCOc1ccc2c(c1)=CC(CN(CCc1cccc(C)c1)S(=O)(=O)c1ccc(OC)cc1)C(=O)[NH+]=2,0
+Cc1cc(C)cc(NC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)c1,0
+NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1ccccc1,1
+Cc1c(NC(=O)NC(C)c2cnn(C)c2C)cccc1N1CCCC1=O,0
+N#Cc1cccc2c1nn1cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc21,1
+CCNC(=O)C[NH+](C)C(C)C(=O)Nc1ccccc1I,0
+COc1ccc(C=N[NH+]=C(N)c2nonc2N)cc1COc1cc(C)c(Cl)c(C)c1,0
+O=C(NN=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1,0
+Oc1ccccc1C1CN(C(CNI)c2ccc(Cc3ccccc3)cc2)CC[NH2+]1,0
+O=C(Nc1cccc2ccc(-n3cccc3)nc12)c1ccc[nH]c1=O,0
+CN1CC(=Cc2ccccn2)C(=O)C(=Cc2ccccn2)C1,1
+Cc1cccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)nc12,0
+CCOc1cc(CC[NH3+])cc(Br)c1OCc1cc(C)on1,0
+CC(C)CC(C(=O)NCCc1ccccc1F)N1C(=O)N2CCC3=c4ccccc4=[NH+]C3C2(C)C1=O,0
+N#CC(=Cc1ccc(OCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1)C1[NH+]=c2ccccc2=[NH+]1,0
+Nc1ncnc2nc(-c3ccc(CN4CCC(n5cnc6c(N)ncnc65)CC4)cc3)c(-c3ccccc3)cc12,1
+Cc1ccc(OCC(O)C[NH2+]CC(=O)NC(C)C)c(Br)c1,0
+CCCC[NH+](C)CC(O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21,0
+CC(NS(=O)(=O)c1ccc(NN)cc1)c1cccc(Br)c1,0
+NC(=O)CC1CC[NH+](CC(O)COc2cc(Cl)ccc2Cl)CC1,0
+[NH3+]CC(c1cc(Br)cs1)N1CCN(CCO)CC1,0
+Cc1c(Cl)cccc1[NH+]=c1oc2cc(O)ccc2cc1C(N)=O,0
+NC(COc1cncc(-c2ccncc2)c1)Cc1c[nH]c2ccccc12,1
+CS(=O)(=O)NCCOc1cncc(-c2ccc3cnccc3c2)c1,1
+CNC(=O)c1cccc(NC(=O)NCCCC[NH+]2CCCCC2C)c1C,0
+CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(F)c3)cn2CCN2CCC23COC3)CC1,1
+O=C(C=Cc1cccs1)NC(=S)NNC(=O)Cc1ccc(Cl)cc1,0
+COc1c(C(=O)Nc2cccc(Cl)c2N2CC[NH+](C)CC2)cc2ccccc2c1Br,0
+CCCC1OC2CC(=O)OC2C2=C1C(=O)c1c(O)cccc1C2=O,1
+COCCNc1ccc(CNC(=O)NCC(c2ccsc2)[NH+](C)C)cc1,0
+NC(=NS(=O)(=O)c1ccc(F)cc1)NCCC1=c2ccccc2=[NH+]C1,0
+COc1cccc(C(c2c(C)nn(-c3ccccc3)c2O)c2c(C)[nH]n(-c3ccccc3)c2=O)c1O,0
+CCOC(=O)C1=C(CSC2NN=C(C3=c4ccccc4=[NH+]C3)O2)NC(=O)NC1CC,0
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CNCCc4cccnc4)cc3)nc2n1,1
+CC(CC[NH+](C)C)NS(=O)(=O)c1c(Br)cc(N)cc1Br,0
+CC(C)(CNC(=O)CCc1ccccc1O)[NH+]1CCc2ccccc2C1,0
+Oc1c(C(Nc2cccc[nH+]2)c2ccc(OC3CCCC3)cc2)ccc2cccnc12,0
+CCOc1cc(C[NH2+]CCCN2CCCC2=O)cc(Br)c1OCc1ccc(Cl)cc1,0
+CC[NH+](CC)Cc1ccc(CNC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1,0
+CCC(Nc1cccc(OC)c1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1,0
+Cc1cc(-c2nnc(NC(=O)C3CCCCN3S(=O)(=O)c3ccc(Cl)s3)o2)n(C)n1,0
+CCn1c(=O)n(CC(=O)NCCC[NH3+])c(=O)c2c3c(sc21)COC(C)(C)C3,0
+CCN(c1ccccc1)C(C[NH3+])c1cc(Br)ccc1OC,0
+O=c1cc(COc2ncnc3sc4c(c23)CCCC4)nc2ccc(Br)cn12,0
+CCC[NH+]1C2CCCC1CC([NH+]=C([S-])Nc1cc(C)ccc1C)C2,0
+OC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,1
+CC(CNS(=O)(=O)c1c(Br)cc(N)cc1Br)[NH+](C)C,0
+Cc1ccc(NC(=O)Nc2cc(C)cc3c2=[NH+]C(C(=O)N2CCOCC2)C=3c2ccccc2)c(C)c1,0
+CC(C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+]1CCC(c2nc3ccccc3s2)CC1,0
+CCC(C(=O)NCCC1=c2ccccc2=[NH+]C1)N1NC(C)n2c(cc3occc32)C1=O,0
+CCCCn1c(N)c(N(C(=O)C[NH+]2CCCC2c2ccc(OCC)cc2)C2CCCC2)c(=O)[nH]c1=O,0
+COc1ccc(C(NC(=O)CC2C=c3ccccc3=[NH+]2)C(=O)Nc2ccc3c(c2)OCCO3)cc1,0
+C=C(C)Cn1c(N2CC[NH+](CC(=O)Nc3ccccc3)CC2)nc2sc3c(c2c1=O)CC(C)(C)OC3,0
+CC[NH+]1CCc2c(sc3c2C(O)=NC(c2ccc(O)c(I)c2)N3)C1,0
+O=c1ccc(-c2nnc(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)[nH]2)c[nH]1,1
+C=Cc1cc2cc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)ccc2cn1,1
+CC[NH+](CC)C(C)CNC(=O)NNC1(C)CCS(=O)(=O)C1,0
+CCC1(C)NC(=O)N(NC(=O)C[NH+]2CCN(C(=O)C3CCCO3)CC2)C1=O,0
+NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,1
+CC(C)c1ccccc1NC(=O)c1cccc(-c2ccc3c(c2)C(O)CC2(CC[NH+](C)CC2)O3)c1,0
+O=C(CC([NH2+]C(CO)(CO)CO)c1ccccc1)c1cc2ccccc2oc1=O,0
+Cc1ccc(S(=O)(=O)N[NH+]=c2oc3cc(O)ccc3cc2C(=O)Nc2ccccc2)cc1,0
+Cc1cc(-c2ccc(C(C)C)c(S(=O)(=O)NCCC3[NH+]=c4ccccc4=[NH+]3)c2)on1,0
+C=CC[NH+]=C(N)NCC1(c2ccc(Br)cc2)CCOCC1,0
+CC1CN(C(=O)C2CCC([NH3+])C(C)C2)CC(C)(C)O1,0
+CC1CC[NH+](C(CNC(=O)NCc2cccc(S(N)(=O)=O)c2)C(C)C)CC1,0
+CSc1ccc(NS(=O)(=O)c2ccc(C(C)[NH3+])cc2)cc1,0
+CC(C)c1csc(Nc2ccc(N)c(C(N)=O)c2)n1,0
+CCOC(=O)Nc1cccc(NC(=O)NCC(c2ccc(C)cc2)[NH+](C)C)c1C,0
+N#Cc1ncc2nc1OCCCCCOc1cc(CCCO)c(Cl)cc1NC(=O)N2,1
+COc1cccc(CNC(=O)C2[NH+]=c3ccc(C)cc3=C2NC(=O)c2ccc(C)cc2)c1,0
+CCn1cc(C(=O)OC(C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)c2ccc(C)nc21,0
+NC1(c2ccc(-c3c(-c4ccccc4)ncc4nccn34)cc2)CCC1,1
+O=C(CCCCCNC(=O)c1ccccc1Br)NNC1=c2cc(Cl)ccc2=[NH+]C1=O,0
+COc1cc(OC)c(C2CC(c3ccc(I)cc3)[NH+]=C3N=NNN32)cc1OC,0
+COCc1[nH]nc2c1C(c1ccccc1F)C(C#N)=C(N)O2,0
+NC(=O)c1ccsc1NC(=O)C[NH+]1CCc2sccc2C1C1CC1,0
+CC1=C(C(=O)NNC(=O)C2=C3C(=O)N=CN=C3OC2C)CCO1,0
+COc1ccc2c(c1)=C1CCNC(c3c([O-])[nH]c(=O)n(-c4ccccc4)c3=O)C1[NH+]=2,0
+NC(=[NH2+])c1cc(Cl)ccc1Oc1ccccc1Br,0
+COc1ccccc1C(=O)NNC(=O)NCC(C)(C)[NH+]1CC(C)CC(C)C1,0
+NC(=O)CCOc1ccccc1NC(=O)NCC(c1ccccc1)[NH+]1CCCC1,0
+Cc1ccc2[nH]c(C[NH2+]C(C)C3=CNN(c4cccc(F)c4)C3C)c(C)c2c1,0
+CNC(=O)NC(=O)C(C)[NH2+]C1(CO)CCCC(C)C1,0
+CC[NH+]1CCN(c2ccc(Nc3cc(Cl)nc(N)n3)c(C)c2)CC1,0
+CCc1nnc(NC(=O)C2CCC(CN3CN[NH2+]N3)CC2)s1,0
+CCC([NH2+]CCS(N)(=O)=O)c1cccc(Br)c1,0
+CNC(=O)c1nn(CC2CCCCC2)c2c1CC([NH2+]C(C)(C)CO)CC2,0
+NC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3cn[nH]c3)cn2CCN2CCC2)CC1,1
+Cc1ccc(C(=O)N=C(NCCC2=c3ccccc3=[NH+]C2)Nc2ccccc2F)cc1,0
+Cc1cccc(OCC2NC(C)C(C(=O)NCC3[NH+]=c4ccccc4=[NH+]3)S2)c1,0
+Cc1ccc(CSC2NNC(C(CC3=c4ccccc4=[NH+]C3)NC(=O)OC(C)(C)C)O2)cc1,0
+C[NH+]1CCc2c(sc3c2C(=O)NC(c2ccccc2[N+](=O)[O-])N3)C1,0
+CN(c1ccccc1)c1nc[nH+]c(Nc2ccc(Cl)c(Cl)c2)c1N,0
+COc1cc2c(cc1OC)C(c1c(O)nc(O)n(-c3ccc(C)cc3)c1=O)[NH2+]CC2,0
+C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCc2ccc(Cl)s2)c1,0
+Cc1cc(-c2onc(C)c2C(=O)N2CC(C(=O)NCC[NH+](C(C)C)C(C)C)C3(CC[NH2+]CC3)C2)no1,0
+CC(c1ccccc1)N1C(=O)C2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)C2C1=O,0
+CC(=O)NC12CC3CC(C1)CC(C(=O)Nc1cnn(CC(=O)N(C)C)c1)(C3)C2,0
+[NH3+]C(c1cc(Br)c2c(c1)OCCO2)c1ncon1,0
+Cc1ccc(S(=O)(=O)N2CC[NH+](CC(=O)NN=Cc3c(O)ccc4ccccc34)CC2)cc1,0
+CCCC[NH+]1Cc2cccc(NC(=O)c3ccc(CNC(C)=O)s3)c2C1,0
+Cc1ccc(SCCCC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[NH+](C)C3)cc1,0
+CC(NC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1,0
+CC(C(=O)[O-])(c1ccccc1Br)[NH+]1CCC(C[NH3+])C1,0
+COc1ccc(C2C3[NH+]=c4ccc(OC)cc4=C3CCN2C(=O)Nc2ccc(C)c(F)c2)cc1,0
+CC[NH+](CC)CCCNS(=O)(=O)c1c(N)cc(Br)cc1Br,0
+COc1ccc(NC(=S)N(Cc2ccc(N(C)C)cc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1Cl,0
+Nc1c(C(=O)Nc2ccccc2C(=O)c2ccccc2)sc2[nH+]c3c(cc12)CCCCCC3,0
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2NCCCN)c1,1
+CCCCn1c(N)c(N(C(=O)C[NH+]2Cc3ccccc3CC2C(N)=O)C2CCCC2)c(=O)[nH]c1=O,0
+COC(=O)C1[NH+]=c2ccc(Br)cc2=C1NC(=O)C(C)[NH+]1CCC(Cc2ccccc2)CC1,0
+CC1CC(C)C[NH+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1,0
+C=CCNC(=O)c1ccc(NC(=O)NCCCC[NH+]2CC(C)CC(C)C2)cc1,0
+CCC[NH+]1Cc2cccc(NC(=O)C(=O)NC(C)c3nc4ccccc4[nH]3)c2C1,0
+CC(C)C([NH2+]CC(=O)N1CC(C(N)=O)Oc2ccccc21)c1cccs1,0
+Nc1ncccc1-c1nc2ccc(-c3cccnc3)nc2n1-c1ccc(CC(=O)Nc2ccccc2)cc1,1
+CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccccc1CC(N)=O,0
+[O-][n+]1ccc(-c2nnc(C3CCN(Cc4ccc(-c5nc6nc(N7CCN(CCO)CC7)ncc6cc5-c5ccccc5)cc4)CC3)[nH]2)cc1,1
+C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NC2c3ccccc3CC2O)c1,0
+CC1CC[NH+](CC(O)CNC(=O)Nc2cc(F)ccc2OC(C)C)CC1,0
+COc1ccccc1C(C[NH3+])N(C)Cc1cc(Br)cs1,0
+C[NH+](C)C(CNC(=O)NCc1ccc(S(N)(=O)=O)cc1)c1cccs1,0
+O=C(NCC1CCCCC1)NC1(C(=O)[O-])CCCC1,0
+CC([NH2+]CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)c1ccc(Cl)cc1Cl,0
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,1
+c1ccc(-c2cc3c(ccn4cnnc34)nc2-c2ccc(CN3CCC(c4n[nH]c(-c5ccccn5)n4)CC3)cc2)cc1,1
+CNC(=O)NC(=O)C(C)[NH+](C)CC(=O)Nc1c(C)cccc1C,0
+Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCC[NH+](C(C)C)C(C)C)c1,0
+CC(C)c1ccc(C(C)NC(=O)C[NH+](C)CC(=O)Nc2c(Cl)cccc2Cl)cc1,0
+CC1CCC(OCC(O)C[NH2+]C(C)c2ccc(Cl)s2)CC1,0
+COc1ccccc1CC1CCC[NH+](CC(=O)Nc2sccc2C(N)=O)C1,0
+Cc1[nH+]ccn1CC(C)CNC(=O)NCC1(O)CCCc2ccccc21,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1ccc(F)c(I)c1,1
+Cc1cccc(NC(=O)C[NH+](C)CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c1C,0
+Cc1ccc(NC(=[NH2+])Nc2nc(CSc3ccc(Cl)cc3)cc(=O)[nH]2)cc1,0
+C=CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2cccc(C)c2C)cc1OCC,0
+CC[NH+](CC)CCNC(C(N)=O)c1ccc(Br)cc1,0
+Cn1c(CC(=O)N2CCc3c(F)cccc32)nc(N2CCOCC2)cc1=S,1
+CC(c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC(=O)Nc1cccc(Cl)c1,0
+CC1Cc2c(OC(F)F)cccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+Cc1cc(C)c(NC(=O)CNC(=O)NCC(C)(C)[NH+]2CCc3ccccc3C2)c(C)c1,0
+COc1ccc(C)cc1C(C)[NH2+]C(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1,0
+COC(=O)C1(c2ccccc2)[NH2+]C(c2ccc(O)cc2)C2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)C21,0
+COc1cc(C[NH2+]C2CCCC2)cc(I)c1OCC(N)=O,0
+O=C(NCCc1ccccc1F)C1CN(C(=O)c2ccc(-c3ccccc3)o2)CC12CC[NH2+]CC2,0
+Cc1cc(C)c(C(N)=S)c(NC2CCCc3sccc32)[nH+]1,0
+NC1(c2ccc(-c3nc4ccccc4c(=O)n3-c3ccccc3)cc2)CCC1,1
+NC(=O)c1cc2c(-c3ccc(Br)c(F)c3F)cncc2s1,1
+N#Cc1ccc(Oc2ccc(NC(=O)N3CCOC(C(N)=O)C3)cc2)cc1,0
+CCOc1ccc(CN(Cc2ccco2)C(=S)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1,0
+CN(C)C(=O)N1CCC2(CC1)SCCN2C(=O)C=Cc1ccccc1,0
+CCCC(CCC)(C(=O)NC1CC[NH+](C2CC2)C1)C(N)=S,0
+C=CCC1(CC=C)CCCN1C(=O)CC1C(=O)NCC[NH+]1Cc1ccccc1C(F)(F)F,0
+NC(=NO)c1ccc(C(=O)Nc2ccc(I)cc2)cc1,0
+CC[NH+]1C(SCc2nc3ccccc3c(=O)[nH]2)NNC1c1ccc(Cl)cc1,0
+Cc1cc(C)c(CNC(=O)NCc2ccccc2C[NH+](C)C(C)C)c(=O)[nH]1,0
+CCOC(=O)COc1ccc(N2C(N)=NC(N)=[NH+]C2(C)C)cc1,0
+COC(=O)C1Cc2c([nH]c3ccccc23)C2CC([NH2+]CCN(C)C)CC(c3ccc(C(C)C)cc3)N12,0
+COc1ccc(C2CC(C3C(=O)[NH+]=c4ccc(Br)cc4=C3c3ccccc3)=NN2C(C)=O)cc1,0
+CC(C)NC(=O)C(=O)N1CCN(C(=O)CSC(N)=[NH+]C(C)(C)C)CC1,0
+COc1ccc(C(c2c(NC(=O)c3ccco3)sc3c2CCCC3)N2CC[NH+](C)CC2)c(OC)c1,0
+COc1ccc(C(CNC(=S)Nc2cccc(Cl)c2C)[NH+]2CCCCC2)cc1,0
+Cc1ccc(NC(=O)c2cc3ccc(O)cc3oc2=[NH+]NS(=O)(=O)c2ccc(C)cc2)cc1,0
+Cc1ccccc1-c1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2n1,1
+Cc1cccc(NC(=O)c2c(NC(=O)C[NH+]3CCCCC3)sc3c2CCC3)c1,0
+NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc21,1
+CC(C)CC1Nc2cc(NS(=O)(=O)N(C)C)cc(C(=O)NCCC3=c4ccccc4=[NH+]C3)c2N1C,0
+CC([NH3+])C(Sc1ncnc2nc[nH]c12)c1ccc(Br)s1,0
+O=C1NC(=O)N(CCc2ccccc2)C(=O)C1=CNC1C=CS(=O)(=O)C1,0
+COc1ccc(C2[NH2+]CCc3c2[nH]c2ccccc32)cc1CN1CC([N+](=O)[O-])=CN1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCCc2c(Cl)cccc21,1
+C[NH+]1CCN(C(=O)c2ccccc2NC(=S)NC(=O)c2ccc(OCCc3ccccc3)cc2)CC1,0
+Cc1cc(C)nc(NC(=NC(=S)NC2CCCC2)NC2CC(C)(C)[NH2+]C(C)(C)C2)n1,0
+CC(C)Oc1cccc(C(=O)NC(=S)Nc2cccc3c(Cl)c(C(=O)NC(C)(C)C)sc23)c1,0
+CC1CC1C(=O)NCCC(=O)NNC(=S)NC1CCCC(C)C1C,0
+CC(C(=O)Nc1sccc1C(N)=O)[NH+]1CC=C(c2ccc(O)cc2)CC1,0
+NC(=O)c1cc(Cl)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+NC1(c2ccc(-c3nc4n(c3-c3ccsc3)COc3cccc(F)c3-4)cc2)CC(O)(C2CC2)C1,1
+Cc1ccc(CN2C(=O)C(=NNC(=S)Nc3ccc(C)c(C)c3)c3cc(Br)ccc32)cc1,0
+COc1ccc(SCCC(=O)Nc2sc3c(c2C#N)CC(C)(C)[NH2+]C3(C)C)cc1,0
+COc1ccccc1-c1cc(C2C[NH+]3CCC2CC3COC(=O)Nc2ccc(C(C)C)cc2)nc(C)n1,0
+CC(C)(C)c1ccc(NC(=O)C(=O)NCC(O)c2ccc(F)c(F)c2)cc1,0
+S=C(NCCC1=[NH+]C2C=CC=CC2N1)Nc1ccc(Br)cn1,0
+CC(C(=O)Nc1sccc1C(N)=O)[NH+]1Cc2ccccc2-c2ccccc2C1,0
+O=C(CSC1NC(c2ccco2)Nc2cc(=O)[nH]n21)NCCC1[NH+]=c2ccccc2=[NH+]1,0
+CC(C(=O)Nc1sc2c(c1C(N)=O)CCC2)[NH+]1CCN(S(=O)(=O)Cc2ccccc2)CC1,0
+CCN(c1cccc(C)c1)c1nc[nH+]c(Nc2ccccc2Cl)c1N,0
+CCN(CC(C)C(N)=NO)C(=O)c1ccc(Br)cc1C,0
+CCCC(C)([NH3+])C(=O)Nc1sc2c(c1C#N)CCCCC2,0
+Cc1cccc(OC(C)C(=O)NNC(=O)NCc2cccc(C[NH+](C)C)c2)c1C,0
+CC1Cc2cc(F)c(F)cc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)[nH]1,1
+CC(C)c1ccc(C(O)CN(C)C(C)c2ccc(S(N)(=O)=O)cc2)cc1,0
+CN(C)C(=O)c1ccc2c(c1)-c1nc(-c3ccc(C4(N)CC(C)(O)C4)cc3)c(-c3ccccc3)n1CO2,1
+CCCCN(C(=O)C[NH+](C)CC(=O)Nc1c(C)cccc1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,0
+CCOc1cc(C[NH2+]CC2CC(CO)N(C)C2c2ccccc2F)ccc1O,0
+NC1(C(=O)NC(CCCN2CCCC2)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,1
+CCNC(=O)c1cc(NCC(C)(C)NS(C)(=O)=O)cc[nH+]1,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)c2cc(Cl)ccc2F)CC12CC[NH2+]CC2,0
+CC(N)C(c1ccc(Cl)s1)[NH+](CCO)C1CCCCC1,0
+O=C(NC1(c2ccc(-c3nnc4n3-c3ccc(Cl)nc3Nc3ccccc3-4)cc2)CCC1)C(F)(F)F,1
+COc1ccc(SC2CC(C(=O)N3CCN(c4ccccc4F)CC3)[NH+](Cc3ccccc3F)C2)cc1,0
+NS(=O)(=O)c1ccc(CCNC(=O)C[NH+](C2CC2)C2CCCc3ccccc32)cc1,0
+O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)Nc1cccc(S(=O)(=O)NC2=[NH+]CCC2)c1,0
+CC1CC[NH+](C(CNC(=O)CCCNC(=O)NC2CCCCC2)C(C)C)CC1,0
+CC(C(=O)NC(=O)NC1CCCC1)[NH+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1,0
+O=C1Nc2c(Br)cc(F)cc2C1NCCC[NH+]1CCCC1,0
+Cc1ccc(NC(=O)C[NH+](C)C(C)c2ccc(S(N)(=O)=O)cc2)cc1I,0
+CCOc1cc(CC[NH3+])cc(Cl)c1OCCOc1cc(C)c(Cl)c(C)c1,0
+NS(=O)(=O)c1ccc(NC(=O)C[NH+]2CCCC3CCCCC32)cc1,0
+CCCc1ccc(Oc2ccc(C(C[NH3+])N(C)CCO)cc2)cc1,0
+COC(=O)c1c(NC(=O)C=CC(=O)[O-])sc2c1CCC(C)C2,0
+Cn1nc(C(=O)N2CCc3ccccc3C2)c2c1CCC([NH2+]CCc1ccc(S(N)(=O)=O)cc1)C2,0
+NN1C(SCc2nc3ccccc3[nH]2)N=[NH+]C1c1ccc(Cl)cc1Cl,0
+OC1CC[NH+](C2CC[NH+](Cc3cc4c(cc3Cl)OCO4)CC2O)CC1,0
+NC(=S)c1ccc(C[NH+](CCO)C2CCCCC2)c(F)c1,0
+NS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)CCC3)o1,0
+CC(C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1CC[NH+](CC(=O)N2CCCCCC2)CC1,0
+CC(C)C(NC(=O)C1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc2c(c1)OCO2,0
+COC(=O)Nc1ccc(CNC(=O)C[NH2+]C(c2cccs2)C(C)(C)C)cc1,0
+O=C1CN(c2ccc(C[NH+]=Cc3cc(Cl)cc(Cl)c3O)cc2)CCN1,0
+NS(=O)(=O)c1ccc(CCNC(=O)C[NH+]2CCCC2c2ccc3c(c2)OCCO3)cc1,0
+C=CC[NH+](CC(=O)NC(=O)NC1CC1)CC(=O)NC(=O)NC1CC1,0
+COC(=O)c1ccc(NC(=O)C(=Cc2ccc(OC)cc2)NC(=O)c2ccc(Br)o2)cc1,0
+Cc1ccc(NC(=O)NC(=O)CNc2ccccc2C[NH+](C)C2CCCCC2)c(C)c1,0
+CC(C)CC(C[NH+](C)C)Nc1cccc(Cl)c1C(N)=S,0
+CC[NH+](C)Cc1cccc(CNC(=O)NCC(O)c2ccc3ccccc3c2)c1,0
+NC(CNc1ncc(-c2ccc3cnccc3c2)s1)Cc1ccc(C(F)(F)F)cc1,1
+CCOc1cc(C(Nc2cc(C)cc[nH+]2)c2ccc3cccnc3c2O)cc(Cl)c1OCc1ccccc1,0
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(c5cc(-c6ccncc6)[nH]n5)CC4)cc3)nc2n1,1
+NS(=O)(=O)c1ccc(NC(=O)C2CSC[NH2+]2)c(Br)c1,0
+COc1ccc(CCN2CC(=O)N3C(CC4=c5ccccc5=[NH+]C4C3c3ccccc3OC)C2=O)cc1OC,0
+Cc1[nH+]c(N)ccc1CNC(=O)Cn1c(C)cnc(NCC(C)c2ccccc2)c1=O,0
+CC(C)c1ccc(NC2[NH+]=c3ccccc3=[NH+]C2=NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1,0
+CC1C[NH2+]CCN1S(=O)(=O)c1cccc(S(N)(=O)=O)c1,0
+O=C1CC2OCC3=C(C(=O)c4ccccc4C3=O)C2O1,1
+Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=CC2=c3ccccc3=[NH+]C2)cc1,0
+Cn1nc(C(=O)NCc2cccs2)c2c1CCC([NH2+]CC1(O)CCCCC1)C2,0
+CCOc1cc(C2N=C(O)c3c(sc4c3CC[NH+](C)C4)N2)cc(Br)c1O,0
+NC(=O)C1CCC[NH+]1Cc1cccc(NC(=O)NCc2cc3ccccc3o2)c1,0
+CN(C)c1cc(CNC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc[nH+]1,0
+CC(C)CNC(=O)NNC(=O)C[NH+]1CCS(=O)(=O)CC1,0
+NC(CCc1cc(-c2ccc3cnccc3c2)no1)Cc1ccc(C(F)(F)F)cc1,1
+CC(C(=O)N(C)Cc1ccccc1)C1CCC2(C)Cc3sc(C4CC[NH2+]CC4)[nH+]c3C(C)C2C1O,0
+CC([NH2+]CC(O)COc1ccc(C#N)cc1)c1ccc(S(N)(=O)=O)cc1,0
+Cc1cccc(NC(=O)C[NH+]2CCN(C(=O)CN3C(=O)NC4(CC(C)CC(C)(C)C4)C3=O)CC2)c1C,0
+O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(=O)[nH]c1,0
+CC(C)[NH+]1CCC(CNC(=O)NNc2c(F)c(F)c(F)c(F)c2F)C1,0
+CCN(CC(=O)NCCc1ccc(OC(F)F)cc1)C1CC[NH+](C(C)c2ccccc2)C1,0
+CC(NC(=O)C1CC2=c3ccccc3=[NH+]C2C2c3ccccc3C(=O)N12)C(=O)NC1CC1,0
+C=CCN1C(=O)C(C(=O)Nc2nnc(S(N)(=O)=O)s2)C(O)c2ccccc21,0
+NC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3cccc(F)c3)cn2CCN2CCCC2)CC1,1
+CCOC(=O)C1=C(C[NH+]2CCCN(C(=O)c3ccc(OC)cc3)CC2)N(C)C(=O)NC1c1cccc(C)c1,0
+CCc1ccc(C(CNC(=O)C=Cc2ccc(OCC(N)=O)cc2)[NH+](C)C)cc1,0
+CCCSc1nc2n(n1)C(c1ccc(C(C)(C)C)cc1)C(C(=O)Nc1ccccc1OCC)=C(C)N2,0
+COc1ccc(N)cc1S(=O)(=O)Nc1ccc(SC)cc1,0
+NC1(c2ccc(-n3c(-c4ccccc4)nc4ccc(NCc5ccccc5)nc43)cc2)CCC1,1
+CC([NH2+]C(C)c1ccc(OC(F)F)cc1)C(=O)NC(=O)NC1CCCC1,0
+CC(C(=O)Nc1sc2c(c1C(N)=O)CCC2)[NH+](C)Cc1ccc(Cl)s1,0
+CCOc1ccccc1NC(=O)N1CCC2=c3cc(Cl)ccc3=[NH+]C2C1c1ccc(OC)cc1,0
+NC(NCc1ccc(-n2ccc(C(F)(F)F)n2)cc1)=[NH+]Cc1ccco1,0
+Cc1ccccc1N1C(=O)CC(SC(=[NH2+])NN=Cc2ccc(O)c(O)c2)C1=O,0
+NC(Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ncnc3ccccc23)CC1,1
+c1ccc(CCNC2(c3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CCC2)cc1,1
+CCCC(C)C(=O)N1CC(C(=O)NCCc2ccc(C)c(C)c2)C2(CC[NH2+]CC2)C1,0
+CCC(CC)C(=O)N1CC(C(=O)NCCC(C)C)C2(CC[NH2+]CC2)C1,0
+CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(Cl)cc4)c3)cc2s1,1
+CNS(=O)(=O)c1cccc(C(C)NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1,0
+Cn1c(CC(=O)N2CCc3ccc(F)cc32)nc(N2CCOCC2)cc1=O,1
+O=C(NCc1ccc(N2CCCC2)[nH+]c1)NCC(c1ccco1)[NH+]1CCCCC1,0
+CC1Cc2c(O)cccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+Cc1ccc2[nH]c3nc(NNC4=c5cc([N+](=O)[O-])ccc5=[NH+]C4=O)nnc3c2c1,0
+CC1CCCC[NH+]1C(C)CNC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O,0
+CC1CC(O)c2ncnc(N3CCN(C(=O)C(CN)c4ccc(C(F)(F)F)cc4)CC3)c21,1
+O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CC3(CCOCC3)C2)cn1,1
+CCCCn1c(N)c(N(C)C(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)c(=O)[nH]c1=O,0
+CC(C)CS(=O)(=O)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+CSc1nnc2n(C)c(=O)c3c4c(sc3n12)CSC(C)(C)C4,0
+CCc1ccc(CCNC(=O)C2CN(C(=O)C3CC=CCC3)CC23CC[NH2+]CC3)cc1,0
+CC([NH2+]CCC1=CCCCC1)c1cccc(S(N)(=O)=O)c1,0
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(n5ncc6c(N)ncnc65)CC4)cc3)nc2n1,1
+O=C(CC1[NH2+]C2CCCCC2NC1=O)Nc1ccccc1C(F)(F)F,0
+O=C1CCCC2=C1C(c1ccccc1Cl)c1c([nH]c(=O)[nH]c1=O)N2,0
+O=C(NNC(=S)Nc1ccc(F)cc1)C(O)(c1ccccc1)c1ccccc1,1
+Cc1ccc(S(=O)(=O)N[NH+]=c2oc3ccc(C)cc3cc2C(=O)Nc2ccc(F)cc2)cc1,0
+CSc1nn(-c2ccccn2)c(N)c1C(N)=O,1
+Oc1c(Br)cccc1C[NH2+]CC1CCN(CC(F)(F)F)C1,0
+CCCOc1cc(C)ccc1NC(=O)NCc1cc[nH+]c(N2CC[NH+](C)CC2)c1,0
+CC1CCCN(C(=O)C2CCCN(C(=O)C(C)(C)C)C2)C1,0
+Fc1ccc(N2CC[NH+](CC3C[NH+]4CCC3CC4CNC(=S)NCc3ccco3)CC2)cc1,0
+NCC(NC(=O)c1cc(C2CC2)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1,1
+CC(C)NCC(Cc1ccccc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,1
+CC(C)NC(=O)c1ccc(Cl)c(NC(=O)NCc2ccc[nH+]c2N(C)C)c1,0
+CCn1c(-c2nonc2N)nc2c(-c3cn[nH]c3)ncc(OCCCN)c21,1
+C[NH+](CCCNC(=O)NNC(=O)Cc1ccccc1F)C1CCCCC1,0
+COc1ccc(-c2ccnc(SCC(=O)N3CCC4=c5ccccc5=[NH+]C4C3C(F)(F)F)n2)cc1,0
+Nc1noc2ccc(-c3cnc(NCC(N)Cc4ccc(C(F)(F)F)cc4)s3)cc12,1
+Nc1ncnc(N2CCC(c3nc(-c4ccc(Cl)c(F)c4)cn3CCN3CCCC3)CC2)c1C1CCC1,1
+NC(=O)NCC1CCC[NH+](Cc2cc(=O)n3ccsc3n2)C1,0
+C=CCN(C)C(=O)C(C)C1CCC2(C)Cc3sc(NC)[nH+]c3C(C)C2C1O,0
+COc1ccc(S(=O)(=O)CC(=O)Nc2sc3c(c2C(N)=O)CC[NH+](C)C3)cc1,0
+NS(=O)(=O)c1ccc(CCNC(=S)NC2CC3CCC2C3)cc1,0
+CC1=C(COc2ccccc2C(=O)NNC(=O)C2=c3ccccc3=[NH+]C2)C(C)ON1,0
+CN1CC[NH+]=C1c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C4=[NH+]CCN4C)cc3)c([N+](=O)[O-])c2)cc1,0
+CC1CC(C)C[NH+](CC(C)NC(=O)Nc2ccc(CC(=O)NC(C)C)cc2)C1,0
+O=C(C=Cc1nc2cc(F)ccc2[nH]1)c1c(-c2ccc(F)cc2)c2cc(F)ccc2[nH]c1=O,1
+COc1ccccc1C1C2[NH+]=c3ccccc3=C2CC2C(=O)N(CC3CCCO3)CC(=O)N21,0
+COc1ccc(C([NH2+]CC(=O)Nc2sccc2C(N)=O)c2ccccc2)cc1,0
+COc1cccc(C(O)C[NH+]2CCC3(CC2)CC(O)c2cc(O)ccc2O3)c1,0
+COc1ccc(CCNc2nc[nH+]c(N3CCCc4ccccc43)c2N)cc1OC,0
+NC(CNc1cnc(Cl)c(C=Cc2ccncc2)c1)CC1CNc2ccccc21,1
+CC(C)c1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CC[NH+](C(C)C)C3)cc1,0
+Nc1ncccc1-c1nc2ccc(-c3cccnc3)nc2n1-c1ccc(CC(=O)Nc2ccccc2)cc1,1
+CCC([NH3+])C(c1cccc(Br)c1)N(CC(F)(F)F)C1CC1,0
+Cc1cccc2c1CCN2C(=O)Cc1nc(N2CCOCC2)cc(=O)n1C,1
+CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C[NH2+]CCCO,0
+CCCCn1c(N)c(N(Cc2ccccc2)C(=O)C[NH+]2CCN(CC(F)(F)F)CC2)c(=O)[nH]c1=O,0
+CS(=O)(=O)Cc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1,0
+O=C(NN=Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1C(=O)Nc1ccccc1,0
+CC[NH2+]C(C)(CCSc1cccc(Br)c1)C(N)=O,0
+NC1=[NH+]C(C(O)c2ccccc2)C(c2ccc(Cc3ccccc3)cc2)S1,0
+CC1=NN(C(=O)c2ccccc2)C(=O)C1N=Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,1
+O=C1C2CC3=c4ccccc4=[NH+]C3C(c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCCc1ccccc1,0
+CC(C)NC(=O)C[NH+](C)CC(=O)NC(=O)Nc1ccc(Br)cc1,0
+Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2-c2cccnc2)CC1,1
+COc1ccccc1NC(=O)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+COc1ccc(C(C[NH2+]C(C)C(=O)Nc2ccc3c(c2)OCCO3)C2=c3ccccc3=[NH+]C2)cc1,0
+CC(C)Cn1c(SC(C(=O)NC(N)=O)C(C)C)nc2sc3c(c2c1=O)CCC(C)C3,0
+CC1(C)CC(N(Cc2ccc(F)cc2)C(=S)Nc2ccc(Cl)cc2Cl)CC(C)(C)[NH2+]1,0
+CCC1CCCCC1NS(=O)(=O)Cc1ccc(C[NH3+])cc1,0
+CCC[NH+]1CCC(N2CC([NH2+]Cc3ccc(F)c(F)c3)CC2C(=O)NC(C)C)CC1,0
+CC(C)NC(=O)NC1CC2C(=O)NCC(CCC(=O)N3CCOCC3)[NH+]2C1,0
+NC1(C(=O)NCc2ccc(Cl)cc2)CCN(c2ccnc3[nH]ccc23)CC1,1
+CC(C)OC(=O)N(C)C1C[NH2+]C(C(=O)N2CC=C(c3ccccc3)CC2)C(C(=O)NO)C1,0
+COc1ccc2[nH]cc(C3=CC[NH+](CCC4OCCc5cc(C(N)=O)ccc54)CC3)c2c1,0
+Cc1nc(N2CC[NH+](Cc3cc(=O)n4ccsc4n3)CC2)c2c(C)c(C)sc2n1,0
+O=c1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)F)c[nH]1,0
+CC(NC(=O)NC1CCCC(C)C1C)C(=O)[O-],0
+Nc1ccc(-c2cn3cccc(OCC(=O)Nc4ccccc4)c3[nH+]2)cc1,0
+Cc1cccc(NC(c2ccc(F)cc2)c2cc(C)sc2NC(=O)c2ccco2)[nH+]1,0
+NC1CCCN(c2ncnc3[nH]cc(Cl)c23)C1,1
+Cn1c(CC(=O)N2CCc3c(OC(F)F)cccc32)nc(N2CCOCC2)cc1=O,1
+CC[NH+](CCO)Cc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)[nH]1,0
+O=C1[NH+]=c2ccc(Cl)cc2=C(c2ccccc2)C1N1CCN(C(c2ccccc2)c2ccccc2)CC1,0
+CC(C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCCC(O)C1,0
+Cc1ccc(-c2c(N)ncnc2N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3C)CC2)cc1,1
+CN1CCN(c2ccc3nc(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)c(-c4ccccc4)nc3n2)CC1,1
+Cc1cc(C)cc(-n2c(N)c(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c3[nH+]c4ccccc4nc32)c1,0
+Cc1ccc(N2C(=O)C3C4OC(C5C(c6ccc(Cl)cc6Cl)=NOC45)C3C2=O)cc1,0
+CCCC[NH2+]CC(=O)Nc1c(Br)cc(Br)c(OC)c1Br,0
+COc1ccc(-n2c(CSc3nc(C)cc(C)n3)nnc2SCC(=O)Nc2c(C)cccc2C)cc1,0
+O=C(C[NH+]1CCc2sccc2C1C1CC1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl,0
+COC(=O)c1ccccc1N(C)c1nc[nH+]c(Nc2cc(Cl)ccc2C)c1N,0
+CC[NH+]1CCCC1CNC(=O)CCNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3,0
+CC1C(C(=O)NCC2C=c3cc(Cl)ccc3=[NH+]2)=C(c2ccccc2)NN1c1ccccc1,0
+CC[NH+](CC)C(CNC(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1)c1ccccc1Cl,0
+CC(C)c1ccc2c(c1)CCCN2C(=O)c1ccc[n+]([O-])c1,0
+Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCCCCC2)c2ccc(Br)cc2)cc1,0
+O=C(Cc1nc(N2CCOC(CF)C2)cc(=O)[nH]1)Nc1ccc(F)cc1,1
+CC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC(c2ccc(F)cc2)O1,0
+COc1cccc(S(=O)(=O)NC2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)c1,1
+CCOc1ccc(NC(=O)C[NH+](C)CC(=O)Nc2sc3c(c2C#N)CCC(C)C3)cc1OCC,0
+CCOc1cc(C[NH2+]C(C)C)cc(Br)c1OC(C)C(N)=O,0
+CN1CCN(c2cccc3c2CCN3C(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)CC1,1
+CCc1ccc(C(CNC(=O)C(CCSC)NS(=O)(=O)c2ccc(C)cc2)[NH+](C)C)cc1,0
+Cc1cccc(NC(=O)CSc2nc3n[nH]c(C)c3c(=[NH2+])n2-c2ccc(Br)cc2)c1,0
+Cc1cc(CC(N)COc2cncc(-c3cc4c(C)n[nH]c4cn3)c2)ccc1F,1
+CC(C)n1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[NH+](C(C)C)C3)n1,0
+C[NH+](CCNS(=O)(=O)c1cc(Cl)cc(N)c1Br)C1CC1,0
+[NH2+]=C(NN=Cc1ccccc1O)SC1CC(=O)N(c2cc(Cl)ccc2Cl)C1=O,0
+[NH3+]CCSCC(=O)Nc1c(Br)cc(Br)cc1Br,0
+CSc1cccc(NC(=O)c2cc3ccccc3oc2=[NH+]NS(=O)(=O)c2ccc(C)cc2)c1,0
+CCC1CCC(C[NH3+])C(Sc2ccc(S(C)(=O)=O)cc2)C1,0
+CC(C)C(NC(=O)c1ccccc1Cl)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1,0
+CCCCC(C)C(=O)N1CC(C(=O)NCCCn2cc[nH+]c2)C2(CC[NH2+]CC2)C1,0
+CCOC(=O)C1=C(C[NH+]2CCCN(C(=O)NC(C)(C)C)CC2)N(C)C(=O)NC1c1ccc(C(C)(C)C)cc1,0
+NC1=NC(Nc2ccc(Cl)cc2)C2=NC=NC2=N1,0
+COc1ccc(CCC(=O)NNC(=O)NCC(C)(C)[NH+]2CCCC(C)C2)cc1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cccc2ocnc12,1
+CCOC(=O)c1sc(NC(=O)C[NH+]2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1C,0
+CCCC(=O)Nc1ccc(NC(=O)C[NH2+]CCC2=CCCCC2)cc1,0
+COc1ccc(NC(=S)N(CC[NH+](C)C)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1,0
+C[NH+](Cc1ccccc1NC=C1C(=O)NC(=S)NC1=O)C1CCCCC1,0
+CC[NH+](CC)CCCNS(=O)(=O)c1cc(N)cc(Cl)c1F,0
+OC(Nc1nc(COc2ccccc2)nc(NC(O)C(Cl)(Cl)Cl)n1)C(Cl)(Cl)Cl,0
+NC(CNc1ncc(-c2ccc3[nH]c(=O)oc3c2)s1)Cc1ccc(C(F)(F)F)cc1,1
+COc1ccc(CCNC(=O)NC2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1OC,1
+CC(c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC(=O)N(C)CC(=O)Nc1ccccc1Cl,0
+Cc1ccc(Nc2[nH+]cnc(N(Cc3ccccc3)c3ccccn3)c2N)c(C)c1,0
+CC(C)(C)CC(C)(C)NC(=O)C(c1c(O)cc(O)cc1O)N(Cc1ccco1)C(=O)C#Cc1ccccc1,0
+CCOc1ccccc1NC(=O)C(C)[NH+](C)CC(=O)Nc1c(Cl)cccc1Cl,0
+[NH3+]CCCc1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1,0
+CC(C)C(NC(=O)N1CCN(C(=O)C2C=c3ccccc3=[NH+]2)CC1)C(=O)Nc1ccc2c(c1)OCO2,0
+Cc1cc2nc(N(CCC[NH+](C)C)C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)sc2cc1C,0
+CS(=O)(=O)NC1Nc2ccc(C(=O)NCCC3=c4cc(Cl)ccc4=[NH+]C3)cc2S1,0
+CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccc(C(=O)NC)cc1C,0
+CC(C)CC(NC(=O)C1Cc2ccccc2C[NH2+]1)C(=O)NCC1CCCO1,0
+Cc1ccc(C2NC(=O)c3c(sc4c3CC[NH+](C)C4)N2)c(O)c1,0
+Cc1nn(C(c2ccc(Br)s2)C(C)[NH3+])c(C)c1C,0
+Nc1[nH+]c(-c2ccccc2)cn1N=Cc1cc(Cl)cc(Cl)c1O,0
+CC[NH+](CC)CC(=O)NNC1=c2ccccc2=[NH+]C1=O,0
+O=C(CN1c2ccc(Cl)cc2CC1c1cccs1)NCCC1=c2ccccc2=[NH+]C1,0
+CC([NH2+]CC1(c2cccc(Cl)c2)CCOCC1)C(=O)NC(=O)NC1CC1,0
+[NH3+]CCCCNC(c1cccs1)c1ccc(Cl)s1,0
+O=C1Nc2cc(F)c(Br)cc2C1[NH2+]C1CCC(O)CC1,0
+CC(=NNc1nc(SCC(=O)Nc2cc(C)cc(C)c2)n[nH]1)c1ccc(Br)cc1,0
+Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,1
+Cc1nc(N(C)C)c2sc(=S)n(-c3ccccc3)c2n1,0
+O=c1cccc2n1CC1CC2C[NH+](C2OC(CO)C(O)C(O)C2O)C1,0
+O=C([O-])C1CSC(c2cc3c(cc2[N+](=O)[O-])OCO3)[NH2+]1,0
+Cc1ccc(NC(=O)C([NH2+]CCC2=c3ccccc3=[NH+]C2)c2ccccc2)cc1Cl,0
+O=C(CSc1cn(CCNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12)Nc1cccc(Cl)c1,0
+[H]N=C1C(=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)C(=O)N=C2C=C(C)ON21,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2ccccc2C1,1
+CC1CCCCC12NC(=O)N(CC(=O)NNC(=S)NCC1CCCO1)C2=O,0
+COc1ccc2c(c1)=C(CCNC(=O)C(=O)NC1=C(C)NN(CC(C)C)C1C)C[NH+]=2,0
+Cc1n[nH]c2cnc(-c3cncc(OCC(N)Cc4c(F)cccc4F)c3)cc12,1
+CSc1ccc(C=CC(=O)NC(C)c2cccc(S(N)(=O)=O)c2)cc1,0
+Cc1ccc(-c2ccc(C3NC(CO)(CCO)C4C[NH+](C)CC34)o2)cc1,0
+NC1(c2ccc(-c3nn4c(-c5ccc(CO)cc5)cnc4cc3-c3ccccc3)cc2)CCC1,1
+NC(=O)C[NH+]1CCCC(NCc2csc(Br)c2)C1,0
+O=S1(=O)CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC1,1
+NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccc(Br)cc2-3)cc1,1
+CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCCCN)c21,1
+O=C(Cc1ccccc1)Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,1
+COCC[NH2+]Cc1ccc(OC2CCCCC2O)c(Br)c1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2c(CO)cccc21,1
+CN(C)CCNc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(c5nnc(-c6ccccn6)[nH]5)CC4)cc3)nc2n1,1
+Nc1ncccc1-c1nc2ccc(Oc3ccccc3)nc2n1-c1ccc(C2(N)CCC2)cc1,1
+CC(=O)c1c(C)[nH]c(C(=O)C(C)[NH+](C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1C,0
+O=C(NCc1cccc(Cl)c1)C1C[NH2+]CC1C(=O)NC1CCCc2ccccc21,0
+CC1CCC[NH+](C(C)CNC(=O)Nc2ccc(C(=O)NC(C)C)cc2)C1,0
+COc1cc(C=Cc2cncc(OCC(N)Cc3c[nH]c4ccccc34)c2)ccn1,1
+CC(C)(C)c1ccc(NC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Br)c1,0
+COC(=O)c1c(N)c(=Cc2ccccc2F)c2n1C(=O)C(c1ccccc1F)SC=2C(N)=O,0
+CC(C)CC([NH3+])C(=O)NC1CCCC(OCC(F)(F)F)C1,0
+CC(C)c1ccc(C[NH+](C)C(C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1,0
+NC(=O)N(Cc1ccccc1)C1CS(=O)(=O)CC1[NH2+]Cc1ccccc1,0
+Cc1cc(C)c(NC(=O)C[NH+](C)Cc2nc(N)c3c4c(sc3n2)CCCCC4)c(C)c1,0
+NS(=O)(=O)c1ccc(NC(=S)N2CC[NH+](CCc3ccccc3)CC2)cc1,0
+CC1CCCC(C(=O)NCCS(N)(=O)=O)[NH2+]1,0
+CC(=O)NC1C(Oc2ccc(C(C)(C)C)cc2)OC2COC(C)(C)OC2C1OCC(=O)[O-],0
+COc1cccc(NC(=S)NC(=[NH2+])Nc2nc(C)c3cc(C)ccc3n2)c1,0
+O=S(=O)([O-])CC(CSSCC(CS(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-],0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CC2(CCOCC2)c2ccccc21,1
+CC(C)C(Sc1nnc(C(C)[NH+](C)C)n1-c1ccc(Cl)cc1)C(=O)NC(N)=O,0
+C#CCNC(=O)CCNC(=O)NCC(C)[NH+]1CCc2ccccc2C1,0
+O=C(NCCCCc1ccccc1)C1C(O)CCC2C[NH+]3CCc4c([nH]c5ccccc45)C3CC21,0
+O=C(CCCN1C(=O)c2ccccc2NC1O)NCCC1=c2cc(Cl)ccc2=[NH+]C1,0
+CCCCC(=O)N1CC(C(=O)NC(C)CCCC(C)(C)O)C2(CC[NH2+]CC2)C1,0
+O=C(CCCC(=O)NNC=C1C(=O)C=Cc2ccccc21)NNC=C1C(=O)C=Cc2ccccc21,0
+Oc1nc2ccccc2n1C1CCN(Cc2ccc(-c3nc4ccccc4nc3-c3ccccc3)cc2)CC1,1
+NS(=O)(=O)c1cccc(NC(=O)CC[NH+]2CCc3sccc3C2c2ccccc2)c1,0
+Cn1ncc(Cl)c1-c1coc(C(=O)NC2CNCCC2c2ccc(F)c(F)c2)c1,1
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1ccc2ccccc2c1,1
+O=C(Cc1nc(N2CCOCC2)c(F)c(=O)[nH]1)N1CCc2c(F)cccc21,1
+NC(Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCN(c2ncnc3ccccc23)CC1,1
+NC(=O)c1cccc2c(NC(CN3CCC3)c3ccc(Cl)c(F)c3)ncnc12,1
+CC(C)CC(NC(=O)c1coc(C([NH3+])C(C)C)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1,0
+Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(C4C=c5cc(Cl)ccc5=[NH+]4)cc3)ccc21,0
+CC(C)CN1COc2ccc3c(c2C1)OC(=Cc1cc(Cl)cc2c1OCOC2)C3=O,0
+CCOc1ccc(CCNC(=O)C2CN(C(=O)C3(C)CCCCC3)CC23CC[NH2+]CC3)cc1,0
+COC1CCN(c2cnc(C(=O)Nc3csc(-c4nncn4C4CC4)n3)cc2-n2cnc(C3CC3)c2)CC1,1
+Nc1nccc2scc(-c3ccc(NC(=O)Nc4ccccc4C(F)(F)F)cc3)c12,1
+Cc1ccc(Cl)cc1NC1[NH+]=c2ccccc2=NC1=NS(=O)(=O)c1cc(Cl)ccc1Cl,0
+COC(=O)c1ccc(-c2cnc3cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nn23)cn1,1
+CC[NH+](CC)CCNC(C)(C(N)=O)c1ccc(F)c(Br)c1,0
+COc1ccc(OC)c(-c2csc(=NC(=O)COC(=O)c3sc4[nH+]c(C)cc(C)c4c3N)[nH]2)c1,0
+[NH3+]C(c1ccc2c(c1)NC(=O)CO2)c1cc(Br)ccc1Cl,0
+CNCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(F)c1,1
+COc1ccc(S(=O)(=O)NCC(=O)NCC(C2=c3ccccc3=[NH+]C2)c2ccccc2Cl)cc1,0
+NC(=O)c1c(NC(=O)C[NH+]2CCc3sccc3C2c2ccccc2)sc2c1CCC2,0
+Cc1n[nH]c2ccc(-c3nnc(NCC(N)Cc4ccc(C(F)(F)F)cc4)s3)cc12,1
+CC(NC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(C#N)cc1,0
+COc1ccc(C(CNC(=S)c2ccc(OCc3ccccc3)c(OC)c2)C2=c3ccccc3=[NH+]C2)cc1,0
+C[NH+](C)CC1CCN(C(C[NH3+])c2cc(Br)c(Br)o2)CC1,0
+NC(COc1cncc(-c2ccc3[nH]nc(-c4ccccc4)c3c2)c1)Cc1c[nH]c2ccccc12,1
+[NH3+]C1CCCCCC1NS(=O)(=O)c1c(F)cc(F)cc1Br,0
+COc1ccc(C2N=C(c3ccc(C)cc3)CC(c3ccccc3O)[NH2+]2)cc1,0
+CCOc1cccc(C2CC(c3ccc(Cl)cc3)=NC(c3ccc(C(F)(F)F)cc3)[NH2+]2)c1O,0
+O=C([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1OS(=O)(=O)c1ccc2c(c1)OCCCO2,0
+COc1cc2c(cc1OC)C(c1c(O)nc(O)n(-c3cc(C)cc(C)c3)c1=O)[NH2+]CC2,0
+NC1(c2ccc(-c3nc4c5ccc(-c6ccc(F)c(CO)c6)cc5nn4cc3-c3ccccc3)cc2)CCC1,1
+Oc1ccc(C[NH2+]C2CCSc3ccc(Cl)cc32)cc1O,0
+CCCCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O,0
+CN(C)c1ccc(C(CNC(=O)C(=O)Nc2ccc(F)cc2F)[NH+]2CCc3ccccc3C2)cc1,0
+CCn1c(-c2nonc2N)nc2c(C#CC3CC3)ncc(OCCCN)c21,1
+Cc1cc(C)c(C(N)=NO)c(N(C)Cc2cc(Br)cs2)[nH+]1,0
+CC([NH3+])c1ccc(S(=O)(=O)NC(C)c2ccc(Cl)s2)cc1,0
+CC(C)C(=O)Nc1ccc(NC(=O)NCC(c2ccsc2)[NH+](C)C)cc1,0
+CCC([NH3+])C(OCCc1cccs1)c1ccc(Br)cc1,0
+CC(=O)OC1(C#N)CCCC2=CC(=O)CCC21C,0
+Cl.Cn1ncc(Br)c1-c1cc(F)c(C(=O)NC2CNCCC2c2ccc(F)c(F)c2)cc1F,1
+COc1ncc(-c2cc3c(C)nc(N)nc3n(C3CCC(OCO)CC3)c2=O)cn1,1
+NS(=O)(=O)c1cccc(NC(=O)C[NH+]2CCCC2c2nc3ccccc3s2)c1,0
+O=C1CC(C(=O)Nc2ccc3c(c2)OCCO3)c2c(nc(Nc3ccc(F)cc3)[nH]c2=O)N1,0
+O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccncc1,1
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4ccc5ccccc5c4)c3)cc12,1
+[NH3+]C(CC1=c2ccccc2=[NH+]C1)C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1,0
+NC(=O)c1ccc(NCC(C2=c3ccccc3=[NH+]C2)c2cccs2)c([N+](=O)[O-])c1,0
+Fc1ccc(-c2cn3nc(C4CC4)nc3nc2-c2ccc(CN3CCC(c4n[nH]c(-c5ccccn5)n4)CC3)cc2)cc1,1
+O=C(c1cc2c(s1)-c1ccccc1CC2)N1CCN(C(=O)C2COc3ccccc3O2)CC1,0
+CCOc1ccc(Oc2ccc(NC(=O)C[NH+]3CCCCC3C(N)=O)cc2)cc1,0
+O=C(c1cc(Cl)cc(Cl)c1)N1CCN(c2nc(CN3CC[NH+](C4CCCCC4)CC3)cc(=O)[nH]2)CC1,0
+C=CCc1cccc(C[NH+]2C3CCC2CC(O)(c2ccc(OC)cc2)C3)c1O,0
+Cc1cc(-c2cc(C)c3nc(-c4ccc(C5(N)CCC5)cc4)c(-c4ccccc4)n3c2)[nH]n1,1
+CC(C)C(NC(=O)C1CN(C(=O)c2cccn2C)CC12CC[NH2+]CC2)C(=O)NC(C)(C)C,0
+O=C(NCc1cc[nH+]c(N2CCCC2)c1)NCC(c1cccs1)[NH+]1CCCC1,0
+Cc1ccc(NC(=O)COc2ccc(Br)cc2C[NH2+]C2C3CC4CC(C3)CC2C4)cc1,0
+Cc1c(Cl)cccc1NC(=O)CNC(=O)C[NH+](C)CCOc1ccc(Cl)cc1,0
+CC([NH3+])C(c1ccc(Br)s1)N(C)Cc1ccc(Cl)s1,0
+NC1CCCCC1Nc1nccc(-c2c[nH]c3ncccc23)n1,1
+CC(C)CC(C)OCC(O)C[NH2+]Cc1ccc(Br)s1,0
+CCn1c(-c2nonc2N)nc2c(-c3cc[nH]c3)ncc(OCCCN)c21,1
+NC1(c2ccc(-c3nc4ccc(-c5cc[nH]n5)cn4c3-c3ccccc3)cc2)CCC1,1
+CC(=O)c1ccc(NC(=O)CNC(=O)N2CCC3=c4ccccc4=[NH+]C3C2)cc1,0
+Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)C(C)Oc2ccccc2Cl)cc1,0
+CC(NC(=O)C[NH+](C)Cc1cccc(C(N)=O)c1)c1ccc(Cl)c(Cl)c1,0
+NCC(Cc1ccccc1C(F)(F)F)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,1
+CC(C)Cn1c(N)c(C(=O)C[NH+]2CC(C)CC(C)C2)c(=O)[nH]c1=O,0
+CC(C(=O)N1CCc2c(F)cccc21)c1nc(N2CCOCC2)c(F)c(=O)n1C,1
+CCC1CCC[NH+]1CC(=O)Nc1ccc(N)cc1Br,0
+OC(C[NH2+]Cc1ccccc1F)(c1ccc(Cl)cc1)c1ccc(Cl)cc1,0
+CN(C)c1ccc(C=NNc2nc(-c3ccc(Cl)cc3)c(NC(=O)c3ccco3)s2)cc1,0
+COc1ccc(C(CNC(=O)Cc2csc(-c3ccc(F)cc3)n2)[NH+]2CCCC2)cc1,0
+CCN(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)Cc1nc2ccccc2c(=O)[nH]1,0
+[NH2+]=c1c2cnn(-c3ccccc3)c2ncn1NC(=S)Nc1ccc(Cl)cc1Cl,0
+Nc1nc(SCC(=O)NCCCO)nc2sc3c(c12)CCCC3,0
+Cl.Cn1ncc(Br)c1-c1cc(F)c(C(=O)NC2CNCCC2c2ccc(F)c(F)c2)c(F)c1,1
+CCOc1cc(C[NH2+]CCCN2CCCC2=O)cc(Br)c1OCc1ccc(C)cc1,0
+O=C(CC1CSc2nc3c(c(=O)n21)CCC3)N1CCc2ccccc2C1,0
+COc1ccc(S(=O)(=O)N2CCc3cc4c(cc3C2)OCO4)cc1Cl,0
+NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1,1
+CCOc1cccc2cc(C(=O)Nc3ccccc3Cl)c(=[NH+]c3ccc(S(N)(=O)=O)cc3)oc12,0
+[NH3+]C1(CNS(=O)(=O)c2cc(Br)sc2Br)CCCCC1,0
+O=C(Nc1cc(Br)ccc1Br)C1CC(O)C[NH2+]1,0
+CCCC(O)(c1ccc(OCC)cc1)C(C[NH+]1CCCC1)Oc1ccc(Cl)cc1C,0
+c1ccc(-c2cc3cnccc3nc2-c2ccc(CN3CCC(c4n[nH]c(-c5ccccn5)n4)CC3)cc2)cc1,1
+Cc1ccccc1CN(C(=S)Nc1ccc(Br)cc1)C1CC(C)(C)[NH2+]C(C)(C)C1,0
+COc1ccc(NC(=[NH2+])Nc2nc(CSC3Nc4ccccc4S3)cc(=O)[nH]2)cc1,0
+CC(C)C(NC(N)=O)C(=O)NCc1ccc(-c2ccc(Br)cc2)o1,0
+CC(C)C(NC(=O)C1CN(C(=O)c2ccc(Br)cc2)CC12CC[NH2+]CC2)C(=O)NC(C)(C)C,0
+Cc1ccc(NC(=O)N(CCCc2ccccc2)CC[NH+](C)C)cc1C(N)=O,0
+NC(=O)NC(CC(=O)NCCC1=c2ccccc2=[NH+]C1)c1cccc(Br)c1,0
+NC(=O)c1cccc2c(NC(CN3CCC3)c3ccc(C(F)(F)F)cc3)ncnc12,1
+CC1CN(c2cc(=O)[nH]c(CC(=O)N3CCc4c(Cl)cccc43)n2)CCO1,1
+CCC([NH3+])C(c1ccc(Br)cc1)N1CCC(CO)CC1,0
+CCOc1ccc(Br)cc1C=NNC(=O)C(C)Oc1ccc(Br)cc1,0
+COc1ccc(S(=O)(=O)N2CCC3=c4ccccc4=[NH+]C3C2c2ccc(C)cc2)cc1Cl,0
+N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(F)c3)cn2CCN2CCC2)CC1,1
+CCC(CNC(=O)Nc1ccc[nH+]c1N1CCCC1)[NH+]1CCc2ccccc2C1,0
+NNc1ncc(Br)cc1S(=O)(=O)NCC1CCS(=O)(=O)C1,0
+Cc1cccn2c(=O)c(C=C3SC(=S)N(C(C)C)C3=O)c(N3CC(C)CC(C)C3)nc12,0
+CNC(=O)C1=NN=C2NC(=O)CC(c3cnc(-c4ccccc4C)s3)C21,0
+O=C(NCC1CCCO1)c1cc2cc(Br)ccc2oc1=[NH+]c1ccc2c(c1)OCCO2,0
+CC1[NH+]=c2ccc(F)cc2=C1CCNC(N)=NS(=O)(=O)c1ccc2c(c1)OCCO2,0
+C[NH+](CCOc1ccccc1Cl)CC(=O)Nc1sc2c(c1C(N)=O)CCCC2,0
+Cc1nnc(SCCCNC(=O)C([NH3+])Cc2cscn2)s1,0
+CCc1ccc(C(CNC(=O)C(CC2=c3ccccc3=[NH+]C2)NC(C)=O)[NH+](C)C)cc1,0
+O=C([O-])COCC(=O)NC(=O)N1CCC[NH+]2CCCC2C1,0
+O=C(O)c1ccc2nc(-c3ccccc3)c(-c3ccc(CN4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)nc2c1,1
+Cn1c(CC(=O)Nc2ccc(F)c(CO)c2)nc(N2CCOCC2)cc1=O,1
+[NH2+]=C(NNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccn1,0
+COc1ccc2cc(C(C)c3nc4ccccc4n3CC(O)C[NH+]3CCCCC3)ccc2c1,0
+O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)NC1CC2CCC1C2,0
+Cc1ccc(S(=O)(=O)NCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)cc1,1
+O=C(c1cc(Cl)ccc1F)N1CCN(Cn2c(=O)oc3ccccc32)CC1,0
+COc1ccc2[nH]c3c(c2c1)CC[NH2+]C3c1c(O)n(-c2ccc(C)cc2)c(=O)n(-c2ccc(C)cc2)c1=O,0
+OC(C[NH2+]C1CCN2CCCCC12)c1ccc(F)cc1F,0
+C[NH+](C)Cc1ccc(CNC(=O)NCC2(O)CCCc3ccccc32)cc1,0
+CC[NH+]1CCCC1CNS(=O)(=O)c1c(N)ccc(C)c1C,0
+CC(O)c1nc(N)nc(N)c1-c1ccc(Cl)cc1,0
+O=C(NCC(O)c1ccc(O)cc1)C(=O)Nc1cccc(N2CCCS2(=O)=O)c1,0
+CCOC(=O)C(C(=[NH2+])NNc1cc(Cl)ccc1[N+](=O)[O-])C(=O)Nc1ccccc1,0
+COc1ccc(N2CCN(C(c3ccccc3Cl)c3sc4nc(-c5ccco5)nn4c3O)CC2)cc1,0
+CC(NC(=O)C1CN(C(=O)CCC2CCCC2)CC12CC[NH2+]CC2)C(C)(C)C,0
+O=C(CC1C(=O)NCC[NH+]1C1Cc2ccccc2C1)NCCC1=CCCCC1,0
+CC1CCc2c(sc(NC(=O)CN3CC[NH+](C)CC3)c2C(=O)Nc2ccccc2F)C1,0
+CC(c1cccc(S(N)(=O)=O)c1)[NH+](C)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3,0
+O=C(NCCN1CCOCC1)C1Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C3CCCCC3)CC12,0
+Cn1nc(C(=O)NCc2cccs2)c2c1CCC([NH2+]CC(C)(C)CO)C2,0
+CCOC(=O)C1=C(CN2CC[NH+](C(C)C(=O)NC3CC3)CC2)NC(=O)NC1c1ccco1,0
+Clc1cc(NC2CCCCC2)nc(-c2c[nH]c3ncccc23)n1,1
+CC(C(=O)NC1CC1)[NH+]1CCN(CCOc2ccc(S(N)(=O)=O)cc2)CC1,0
+CC(C(=O)Nc1sc2c(c1C(N)=O)CCC2)[NH+]1CCCCCCC1,0
+CCCCC(C)C(=O)N1CC(C(=O)NCc2cc3ccccc3[nH]2)C2(CC[NH2+]CC2)C1,0
+CNC(=O)c1ccc(NC(=O)NCCCC[NH+]2CCCC(C)C2)c(C)c1,0
+Fc1ccc2c(c1)C1(CCNCC1)CN2c1ncnc2[nH]ccc12,1
+CC1(CO)C(OC(=O)NC2CCCCC2)CCC2(C)C(CC(=O)NCc3ccco3)C(O)CCC12,0
+CNS(=O)(=O)Cc1cccc(CNC(=O)NCCC[NH2+]C2CCCCC2)c1,0
+CCC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3nccnc3-4)cc2)C1,1
+CN(C(=O)c1cc2cc(N)ccc2o1)C1CCC[NH+](C)C1,0
+NC(=[NH2+])c1ccc(COc2ccc(Cl)cc2Br)c(F)c1,0
+NC(=O)C1CCC[NH+]1Cc1cccc(NC(=O)c2cc3cc(Cl)ccc3o2)c1,0
+COc1ccc(NC(=O)NC(=O)C[NH+](C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1,0
+C[NH2+]CC1CCCN(C(C)C(=O)NC(N)=O)C1,0
+NC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3ccnc(C4CC4)c3)cn2CCN2CCC2)CC1,1
+CC(C)C(=O)Nc1ccc(CNC(=O)NCC2CC[NH+](C(C)C)C2)cc1,0
+CCC[NH2+]Cc1cc(OCC)c(OCC(N)=O)cc1Br,0
+COc1ccc(-c2nnc(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)[nH]2)cn1,1
+O=C(Nc1ccccc1SC(F)(F)F)C1CC(O)C[NH2+]1,0
+O=C(Cn1cnc2sc3c(c2c1=O)CCC3)N1CCc2sccc2C1,0
+CC(C)CN(C(=O)C[NH+]1CCCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,0
+CSc1cccc(NC(=O)C(=O)NCC(c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)c1,0
+CCc1[nH+]c(C)nc(N2CCCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)c1Cc1ccc(C)cc1,0
+NC(=O)c1c(NC(=O)C[NH+]2CCc3sccc3C2C2CC2)sc2c1CCCC2,0
+Cc1nc(N)nc2c1cc(-c1cn[nH]c1)c(=O)n2C1CCC(OCO)CC1,1
+CCCCNC(=O)C(c1c(O)cc(O)cc1O)N(C(=O)C#Cc1ccccc1)c1ccccc1Cl,0
+[NH3+]Cc1nnn(-c2cccc3c(O)cccc23)c1-c1ccccc1,0
+Cc1cc(Br)ccc1-c1ccc(C[NH2+]CCCSc2nnnn2-c2ccccc2)o1,0
+COC1C[NH+](C(CNCc2ccccc2)c2ccc(CC(C)C)cc2)CCN1,0
+CCCCSC1(SCCCC)[NH+]=C(N)C2(C#N)C(c3ccccc3)[NH2+]C3=C(CCCC3)C12C#N,0
+NC(=O)C1(N2CCCCC2)CC[NH+](CC(=O)Nc2ccc(Br)cc2)CC1,0
+CN(C)c1ccc(C=NNc2nc(SCC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)n[nH]2)cc1,0
+CCOc1cc(CN2CCC([NH3+])CC2)cc(Br)c1O,0
+CCCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1cc(C)ccc1C(C)C,0
+CC(C)(C)NCCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2C#N)CC1,1
+CC([NH2+]C1CCCC(C)C1C)c1ccc(S(N)(=O)=O)cc1,0
+COc1ccc(C(=O)N(c2ccccc2Cl)C(C(=O)NC(C)(C)CC(C)(C)C)c2ccc(O)cc2)cc1,0
+CCOc1cc(C2N=C(O)c3c(sc4c3CC[NH+](CC)C4)N2)ccc1O,0
+CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(OC(C)CC)cc2)cc1,0
+COc1ccccc1CNC(=O)C1CSCC(c2ccc(C)cc2C)[NH2+]1,0
+CC(Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)C(=O)Nc1ccc(C#N)cc1,0
+COCC(C)n1nnnc1-c1ccc(Br)c(N)c1,0
+CCn1cnnc1CCNc1nc(CC[NH3+])nc2ccccc12,0
+Cc1cccc(CNC(=O)C2C[NH2+]CC2C(=O)N(Cc2ccccc2)Cc2ccccc2)c1,0
+O=C(CCc1nc(CSC2[NH+]=c3ccc(Cl)cc3=[NH+]2)no1)Nc1c(F)cccc1F,0
+CC1(C)CC(NC(=S)NC2CCCCCCC2)CC(C)(CNC(=S)NC2CCCCCCC2)C1,0
+Cn1cc(-c2nc3ccc(-c4ccccc4)nc3n2-c2ccc(C3(N)CCC3)cc2)c(N)n1,1
+CC(C)[NH+]1CCc2c(sc(NC(=O)C=Cc3ccc([N+](=O)[O-])s3)c2C(N)=O)C1,0
+COc1ccc(Br)cc1CN(C)c1cccc(C(N)=[NH2+])c1,0
+CCCCC1CCC(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)C3c2ccccc2Br)CC1,0
+CCCC(C)NC(=O)C1CCC[NH+](C(C)C(=O)NC(=O)NC)C1,0
+CC(C)C(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCCC1=c2ccccc2=[NH+]C1,0
+CCCN1C(=O)NC(c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)C(C(=O)OCC(C)C)=C1C,0
+COc1ccc(NC2[NH+]=c3ccccc3=NC2=NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1Cl,0
+CCOC(=O)c1ccc(Nc2[nH+]cnc(N(CC)c3cccc(C)c3)c2N)cc1,0
+CCC(CC)N(CCO)c1ccc(C(C)[NH3+])cc1Br,0
+CC(C)[NH+](C)Cc1ccccc1CNC(=O)c1ccc(S(N)(=O)=O)cc1,0
+CC1CC[NH+](C(C)CNC(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)CC1,0
+CCOC(=O)c1c(NC(=O)CNc2ccccc2[NH+]2CCC(O)CC2)sc(C)c1C,0
+CC1Cc2c(Cl)cccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+CC1CN(C(=O)Cc2nc(N3CCOCC3)cc(=O)n2C)c2ccccc21,1
+CC1=c2cc(C)cc(CNC(=O)CC3CCC(=O)N3)c2=[NH+]C1c1ccccc1,0
+CCc1ccc(C2=NC(c3ccc(F)c(Br)c3)[NH2+]C(c3cc(Cl)ccc3O)C2)cc1,0
+NC(=O)C([NH3+])COc1c(Br)cc([N+](=O)[O-])cc1Br,0
+CC([NH3+])Cc1nc(C2CCCc3ccccc32)no1,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)c2c(F)cccc2F)CC12CC[NH2+]CC2,0
+Cc1[nH+]cc(CSCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(CO)c1O,0
+O=C(C[NH+]1CCC(O)CC1)N=c1[nH]c2c(s1)CCC2,0
+COc1ccc(O)c(C=[NH+]CCOCCOCC[NH+]=Cc2cc(OC)ccc2O)c1,0
+[NH-]C1=NC(=O)C2=NCN(C3OC(COP(=O)([O-])[O-])C(O)C3O)C2=N1,0
+Cc1ccc(N2N=CC3C([NH2+]Cc4cc5ccccc5[nH]4)CCCC32)cc1C,0
+CC(c1nc2ccccc2c(=O)[nH]1)N(CCCCCC[NH3+])C(=O)C12CC3CC(CC(C3)C1)C2,0
+O=C(CC1C(=O)NCC[NH+]1Cc1ccccc1C(F)(F)F)NCCC1=CCCCC1,0
+Nc1ccc(C(=O)OC(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)cc1[N+](=O)[O-],0
+C[NH+](C)Cc1cccc(NC(=O)C(=O)NNc2ccc(Cl)cc2Cl)c1,0
+CN(C)c1ccc(NC(=S)NCC2CC3CC[NH+]2CC3CN(C)c2ccccc2)cc1,0
+CCC(CNC(=O)Nc1cc(C(N)=O)ccc1OC)[NH+]1CCc2ccccc2C1,0
+CC(C(=O)NCCCN1CCC([NH+]2CCCCC2)CC1)n1c(=O)c(C(F)(F)F)nc2ccccc21,0
+CCCCNC(=O)C(c1c(O)cc(O)cc1O)N(C(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1,0
+O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4cc5[nH]cnc5cc4nc3-c3ccccc3)cc2)CC1,1
+CCCCCCCCCCCCc1ccc(S(=O)(=O)Nc2nnc(C(C)(C)C)s2)cc1,1
+O=C1N=C([O-])N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(SC2[NH+]=c3ccccc3=[NH+]2)o1,0
+CCCC(C)NC(=O)C1CCC[NH+](CC(=O)Nc2sccc2C(N)=O)C1,0
+Cc1ccc2c(c1)Nc1ncccc1-n1c(-c3ccc(C4(N)CCC4)cc3)nnc1-2,1
+c1ccc(-c2nnc3n2-c2ccccc2Nc2ccccc2-3)cc1,1
+O=C(C[NH+]1CCCC(O)C1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1,0
+Cc1nc2nc(-c3ccc(CN4CCC(c5n[nH]c(-c6cc(Cl)ccn6)n5)CC4)cc3)c(-c3ccc(F)cc3F)cn2n1,1
+C[NH2+]C(C)(CCCCSc1ccccc1Cl)C(N)=O,0
+NC(=[NH+]NC(=O)c1cccc([N+](=O)[O-])c1)c1cc2cc(Br)ccc2oc1=O,0
+[NH3+]Cc1cc(S(=O)(=O)NCCC2=CCCCC2)ccc1F,0
+NC(COc1cncc(-c2ccc3[nH]c(=O)sc3c2)c1)Cc1c[nH]c2ccccc12,1
+COc1ccc(C(O)C[NH+]2CCC(C(O)c3ccc(Cl)cc3)CC2)cc1,0
+COc1ccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(Cc2cc(OC)c(OC)c(OC)c2)CC3)cc1,0
+CC1CCN(C2=NN3C(=[NH2+])C(=Cc4ccc(-c5ccc(Br)cc5)o4)C(=O)N=C3S2)CC1,0
+O=C(NCc1cn2c([nH+]1)CCCC2)NCC1(O)CCCc2ccccc21,0
+CCC(CO)[NH2+]CC(O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21,0
+OCCCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1Cl,0
+Cl.Cn1nccc1-c1ccc(C(=O)NC2CNCCC2c2ccc(F)c(F)c2)cc1F,1
+[NH3+]C1(C(=O)NC2CCCC(OCC(F)(F)F)C2)CCCC1,0
+CC1=[NH+]C(NC(=O)NCC2C=NN=C2c2cccs2)SN1,0
+CCCCCN1C(=O)C(C(=O)NC2C(=O)[NH+]=c3ccccc3=C2O)C(O)c2ccccc21,0
+CCOC1C[NH+](C(CNO)c2ccc(S(=O)(=O)C(C)C)cc2)CCN1,0
+Cc1cccc(C)c1NC(=O)CN(C)C(=O)CSc1nc(N)c2c3c(sc2n1)CC(C)CC3,0
+CC1CC(C)CN(c2ccc(C(=O)OCC(=O)NCC34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])C1,0
+CC(NC(=O)CC1C(O)CCC2C(C)(CO)C(O)CCC12C)C(C)(C)C,0
+CC(C)c1ccc(C2(C)NC(=O)N(CC(=O)c3ccc(NC(=O)C(C)(C)C)cc3)C2=O)cc1,0
+CC(C(=O)Nc1sc2c(c1C(N)=O)CCC2)[NH+]1CCCC(C(F)(F)F)C1,0
+CC([NH2+]C1CCc2ccccc21)c1nc2scc(-c3ccco3)c2c(=O)[nH]1,0
+CCc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+C[NH2+]C(C)C(=O)NC(C)c1ccc(S(N)(=O)=O)cc1,0
+Cc1ccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)nc2c1C,0
+COc1ccc(C2=CC(C3NNC(SCc4ccc(Br)cc4)N3N)N=N2)cc1,0
+CN(C)c1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,1
+O=C([O-])C=CC(=O)NNc1ccc(F)cc1,0
+Cc1cccc2c1CCN2C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+COCCn1cc(C=NNc2nc(SCC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)n[nH]2)cn1,0
+CCC([NH3+])C(c1cc(Br)cs1)N1CCCC1CCCO,0
+O=C(NCC(c1ccsc1)[NH+]1CCCCCC1)Nc1ccccc1F,0
+COc1cc(-c2[nH+]c3ccc(Br)cn3c2NC(C)(C)CC(C)(C)C)ccc1O,0
+O=C(NC(c1cnc(Cl)c(Cl)c1)C1CCNCC1)c1ccc2cnccc2c1,1
+Cc1c(NCCN(C)C)cc(Cl)cc1N1CCN(c2ncnc3[nH]nc(Br)c23)CC1,1
+CC(C)S(=O)(=O)NCC(c1ccc(-c2ccccc2O)cc1)N1CC[NH2+]C(c2ccccc2O)C1,0
+CCOc1ccccc1NC(=O)c1sc(=S)n(CCC[NH+](CC)CC)c1N,0
+O=C1COc2ccc(-c3cc(-c4ccccc4)cc(-c4ccc5oc(=O)[nH]c5c4)n3)cc2N1,1
+CC(C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCN(Cc2cccs2)CC1,0
+COc1ccc(Nc2nc(NN=C(C)c3ccc([N+](=O)[O-])cc3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1,0
+Brc1ccc(N2C(SCc3nc4ccccc4[nH]3)NNC2c2cc[nH+]cc2)cc1,0
+CC(CC(=O)Nc1ccc(Cl)cc1)[NH2+]CC(c1cccs1)N1CC[NH+](C)CC1,0
+Cc1cccc(C)c1NC(=O)C[NH+]1CCN(C(=O)CSc2nnc(-c3ccoc3C)n2N)CC1,0
+CC1(c2ccco2)NC(=O)N(CC(O)C[NH+]2CCc3ccccc3C2)C1=O,0
+COc1ccc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCC2)c2ccccc2C)cc1,0
+NC(=O)NCc1cn(CC2CCC[NH+](C3CCSCC3)C2)nn1,0
+CC1CCN(C(=O)CN2C(=O)CSc3cccn3-c3ccccc32)CC1,0
+O=C(NCCNc1ccccc1)C1CN(C(=O)c2ccc(-c3ccccc3F)o2)CC12CC[NH2+]CC2,0
+CC[NH2+]C(C)(CCCCn1nc(C)c(Br)c1C)C(N)=O,0
+Cc1ccc(S(=O)(=O)Oc2ccc(C=NNC(=O)C([NH3+])CC(C)C)cc2)cc1,0
+CC[NH+]=c1c(NC(=O)Nc2ccccc2Cl)c(O)oc2ccccc12,0
+COc1cc2c(cc1OC)C(CC1CN(S(=O)(=O)c3c(C)noc3C)CCC1CC(=O)[O-])=NCC2,0
+O=C(Nc1nc(-c2ccco2)cs1)c1cccc(N2CCNC2=O)c1,0
+CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1cc(-c2cccc(C)c2O)n[nH]1,0
+CCc1c[nH]c2ncnc(N3CCC(N)(CNC(=O)c4ccc(F)cc4)C3)c12,1
+CC(NC(=O)NCc1cccc(S(N)(=O)=O)c1)C1CC2CCC1C2,0
+CN(Cc1cccc(Br)c1)c1cccc(Cl)c1C(N)=[NH2+],0
+Fc1ccc(-c2cn3ccnc3nc2-c2ccc(CN3CCC(c4cnc5ccccc5n4)CC3)cc2)cc1,1
+CCCNC(=O)c1cccc(NC(=O)NCC(c2ccccc2OC)[NH+](C)C)c1,0
+Cc1ccc(NC(=S)N(Cc2ccc(F)cc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1Cl,0
+CC(C)C(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1,0
+CC(C)CC(NC(N)=O)C(=O)OCC(=O)C1=c2ccccc2=[NH+]C1c1ccccc1,0
+C=CCNC(=O)NC(=O)CSc1nnc(C(C)[NH+]2CCCCC2)n1-c1ccc(F)cc1,0
+CC(C)c1ccccc1NC(=S)NCC1(C)CC(NC(=S)Nc2ccccc2C(C)C)CC(C)(C)C1,0
+O=C(C[NH2+]CCO)N1N=C(c2cccs2)CC1c1cn(-c2ccccc2)nc1-c1ccccc1,0
+COC(=O)C1(c2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5ccccc5)nc43)cc2)CCC1,1
+CCOCCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN(C)C)CC1,1
+Cc1ccc(NC(=O)C([NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)c2ccccc2)cc1,0
+CCC(N)C(c1cc(Br)cs1)[NH+](CCOC)C(C)CC,0
+Cc1c(Cl)cccc1NC(=O)C(=O)NN=Cc1cc(Br)ccc1OCc1ccccc1,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12,1
+Cc1c(C2CSCC(C(=O)NCCCOC(C)C)[NH2+]2)sc2ccc(Cl)cc12,0
+CCOc1cc(C[NH2+]C2CC2)cc(Br)c1OC(C)C(N)=O,0
+O=C(Nc1ccccc1C1=[NH+]CCN1)C(F)(F)F,0
+O=C(NNC(=S)Nc1ccc(F)cc1F)C1CC(O)CN1S(=O)(=O)c1ccc2c(c1)OCCO2,0
+CN(CC1COc2ccccc2O1)C(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)[O-],0
+CC1Cc2c(F)cccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+Cc1ccc(NC(=O)CSc2nc3n[nH]c(C)c3c(=[NH2+])n2-c2ccc(Cl)c(C)c2)cc1C,0
+Cc1c(C(=O)NN(c2ccccc2)c2ccccc2)oc2c1C(=NNC(N)=[NH2+])CCC2,0
+CS(=O)(=O)c1ccc(N2CC[NH2+]C(C(N)=O)C2)c([N+](=O)[O-])c1,0
+COC(=O)C1CCC[NH+](C(C)C(=O)Nc2sccc2C(N)=O)C1,0
+c1ccc(-c2nc3ccccc3nc2-c2ccc(CN3CCC(c4cc(-c5ccncc5)[nH]n4)CC3)cc2)cc1,1
+CCCn1c(SC(C)C(=O)N2CCNC2=O)n[nH]c1=O,0
+CC(C)CC([NH3+])C(=O)NN=C1C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21,0
+O=C(Nc1cccc(S(=O)(=O)NC2=[NH+]CCCCC2)c1)c1cc2ccccc2oc1=O,0
+Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)c2ccc(F)cc2)cc1,0
+Cn1cccc1C(CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCc2ccccc2C1,0
+O=C(C=CC(=O)N1CC[NH2+]CC1)Nc1ccc(S(=O)(=O)N=C2CCCCCN2)cc1,0
+CN(Cc1ccccc1Br)c1cccc(Cl)c1C(N)=[NH2+],0
+CCCOc1c(Br)cc(Br)cc1C[NH2+]C(CC)CO,0
+CC[NH+](CC(=O)Nc1ccccc1SCC(N)=O)C(C)c1ccc(C#N)cc1,0
+Nn1c(NN=Cc2cccc(Cl)c2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1,0
+CCC(N)C(c1ccc(Br)s1)[NH+](C)Cc1ccccc1C,0
+O=C(Nc1ccccc1)NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1,1
+CC1CC(C)C[NH+](CCNC(=O)NNC(=O)C2CCS(=O)(=O)C2)C1,0
+CCC([NH2+]Cc1cccs1)(C(N)=O)c1cccc(Cl)c1,0
+CCN(CCC#N)C(=O)Nc1ccc(Br)cc1C(=O)[O-],0
+CCCCCCC(=O)N1CC(C(=O)NC(C)c2c(C)n[nH]c2C)C2(CC[NH2+]CC2)C1,0
+NC(CNc1nnc(-c2ccc3cnccc3c2)o1)Cc1ccc(C(F)(F)F)cc1,1
+CCOC(=O)Nc1cccc(NC(=O)NC(C)C[NH+]2CC(C)CC(C)C2)c1C,0
+CC1CCC[NH+](C(C)(C)CNC(=O)NNC(=O)c2ccoc2)C1,0
+CC1CCC[NH+](CCCCNC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1,0
+CCC(CC(N)=NO)[NH+](C)Cc1cc(Br)cs1,0
+O=C(NC(c1cccc(Cl)c1)C1CCNCC1)c1ccc2cnccc2c1,1
+[N-]=[N+]=Nc1ccc(CC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1I,0
+CC(C)NCC(C(=O)N1CC=C(c2ncnc3c2C(C)CC(=O)N3)CC1)c1ccc(Cl)cc1,1
+O=C([O-])C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Sc2nnnn2C2CCCC2)CC1,0
+Cc1ccc(C)c(N2CC[NH+](C(c3cc4c(C)cc(C)cc4[nH]c3=O)c3nnnn3C(C)(C)C)CC2)c1,0
+NC(CCc1ccccc1)COc1cncc(C=Cc2ccncc2)c1,1
+CC(C)(CO)[NH2+]CC(O)CON=C1c2ccccc2-c2ccccc21,0
+O=C(CSC1[NH+]=c2ccc(OC(F)F)cc2=[NH+]1)Nc1cccc(O)c1,0
+NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[NH+]1CCc2sccc2C1c1ccccc1,0
+Cn1c(CC(=O)Nc2ccc(F)c(I)c2)nc(N2CCOCC2)cc1=O,1
+CCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(C)cc1C)C(=O)Nc1ccccc1,0
+O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CC(F)(F)C2)cn1,1
+CCn1c(-c2nonc2N)nc2c(-c3ccc[nH]3)ncc(OCCCN)c21,1
+CCc1cc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4C(N)=O)CC3)n2)ccn1,1
+CC(C)(C)NC(=O)C(c1ccc(Cl)cc1)N(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C(C)(C)C,0
+COc1cc(C[NH2+]Cc2ccco2)cc(Br)c1OCC(O)c1ccc2c(c1)OCCO2,0
+CCC[NH+]1Cc2cccc(NC(=O)C(C)N3C(=O)NC4(CCCC4)C3=O)c2C1,0
+C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cccc4c(Br)cccc34)cc2Cl)CC1,0
+NC(=[NH2+])c1ccc(Cl)cc1Oc1ccc(Br)cc1,0
+C[NH+](C)CCCN(Cc1ccccn1)C(=S)NC1CC(C)(C)[NH2+]C(C)(C)C1,0
+O=S(=O)(c1ccccc1)N(CC(O)C[NH+](Cc1ccccc1)Cc1ccccc1)c1cccc2ccccc12,0
+Cn1nccc1-c1coc(C(=O)NC2CNCCC2c2ccc(F)c(F)c2)c1.O=C(O)C(O)C(O)C(=O)O,1
+CCOc1ccccc1CN(C(=S)Nc1cc(C)cc(C)c1)C1CC(C)(C)[NH2+]C(C)(C)C1,0
+Cc1ccc2c(c1)C(O)CCN2S(=O)(=O)c1ccc2c(c1)CC(=O)N2C,0
+Cc1cc(Br)ccc1S(=O)(=O)Nc1c(O)oc2ccccc2c1=[NH+]C1CCCCC1,0
+COc1ccc(C=Nc2ccc(C3[NH+]=c4ccc(N=Cc5ccc(OC)cc5)cc4=[NH+]3)cc2)cc1,0
+Cc1cccc(NC(=S)N(Cc2ccccc2F)C2CC(C)(C)[NH2+]C(C)(C)C2)c1Cl,0
+Cc1c[nH+]c2c(c1NOCC(=O)NC(C)C)c(=O)n(C)c(=O)n2C,0
+CC(C)[NH+](CCO)Cc1nc(NN)c2cnn(C)c2n1,0
+Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cn1,1
+CCN(Cc1cccc(C)c1)C(=O)Nc1cccc(C[NH+]2CCCC2C(N)=O)c1,0
+CCN1C(SC(C(=O)C2=c3ccccc3=[NH+]C2)c2ccccc2)=NNC1CCC(N)=O,0
+CC(C)(C)c1cc(C2CSCC(C(=O)NCC3CCCCC3)[NH2+]2)cc(C(C)(C)C)c1O,0
+CCCCN(C(=O)C[NH+](C)C1CCC(CC)CC1)c1c(N)n(CCC)c(=O)[nH]c1=O,0
+Cc1ccsc1C[NH2+]C(C)c1ccc(S(N)(=O)=O)cc1,0
+CN(Cc1cc(Br)cs1)c1ccc(C(N)=[NH2+])cc1Cl,0
+COc1ccccc1NC(=O)c1ccc(NC(=O)C(C)[NH2+]C(C)c2ccccc2F)cc1,0
+O=C(NCCc1cccs1)C1Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C3CCCCC3)CC12,0
+Cc1cc(Br)ccc1NC(=O)CNC(=O)C[NH+](C)C(C)c1ccc(S(N)(=O)=O)cc1,0
+COc1ccc2c(c1)OC1(CC[NH+](CC(O)c3ccc4c(c3)OCCCO4)CC1)CC2O,0
+Nc1nc(Nc2ccc3ncsc3c2)cc(Nc2ccc(C(=O)N3CCCC3CO)cc2)[nH+]1,0
+CN(C(=O)c1ccc(Cl)nn1)C1CCCc2ccccc21,0
+COc1cc(O)cc2c1OC(C)(CCCC(C)C)CC2,1
+CC(c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC(=O)Nc1ccccc1Cl,0
+CC(=O)OCC1OC(NC(=O)CCCn2[se]c3ccccc3c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,1
+[2H]C1([2H])N(C(=O)C(CNC(C)C)c2ccc(Cl)cc2)C([2H])([2H])C([2H])([2H])N(c2ncnc3c2C(C)CC(=O)N3)C1([2H])[2H],1
+COc1ccc(S(=O)(=O)N2CCN(C(=O)c3nc(NCc4ccco4)ncc3Cl)CC2)cc1,0
+Cc1nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nn2c1-c1ccc(F)cc1,1
+CNC(=S)N1N=C(C2C(=O)[NH+]=c3ccc(Cl)cc3=C2c2ccccc2)CC1c1ccc(OC)cc1,0
+Cc1ccc(Br)cc1NC(=O)C[NH2+]Cc1nc2ccccc2n1C,0
+CSCCC(=O)N1CC(C(=O)NCC[NH+](C(C)C)C(C)C)C2(CC[NH2+]CC2)C1,0
+C=CCNC(=O)NC(=O)C[NH2+]C(c1ccc(CC(C)C)cc1)C(C)C,0
+CC1CC[NH+](CCC(=O)Nc2sc3c(c2C(=O)Nc2cccc([N+](=O)[O-])c2)CCC(C(C)(C)C)C3)CC1,0
+CC(C)(C)c1cc(O)c2oc(=[NH+]c3ccc(S(N)(=O)=O)cc3)c(C(=O)Nc3ccccc3)cc2c1,0
+CC(C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1,0
+NC(=O)NCc1cn(C2CCN(C(=O)C3CCCCCC3)CC2)nn1,0
+O=C(NC1CCCc2ccccc21)C1C[NH2+]CC1C(=O)NC1CCCc2ccccc21,0
+C=CC[NH+](CC(=O)N(c1c(N)n(CCCC)c(=O)[nH]c1=O)C1CCCC1)Cc1cccs1,0
+O=C1NC(=O)N(CCNc2[nH+]cc(C(F)(F)F)cc2Cl)C(=O)C1=Cc1ccc(Cl)cc1,0
+Nn1c(SCC(=O)NN=Cc2ccccc2Cl)nnc1-c1ccc(Br)cc1,0
+COc1cccc(NC(=S)NC(=[NH2+])Nc2nc(C)c3ccc(C)cc3n2)c1,0
+Oc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3ccn12,1
+COc1ccc(NC2=[NH+]C(c3ccc(F)cc3)n3c(nc(C)cc3=O)N2)cc1,0
+OCCCCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1F,0
+Cc1ccc(F)c(C(=O)N2CC(C(=O)NCc3ccc4c(c3)CCCN4C)C3(CC[NH2+]CC3)C2)c1F,0
+CC(C)CC[NH+]=C(N)SCC(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1,0
+N#CC1CCCC1N1CCC(N2CCOCC2)C1,0
+COc1ccc(CCNC(=[NH2+])NCc2ccc(N3CCCCCC3)[nH+]c2)cc1,0
+O=C1N(Cc2ccc(F)c(F)c2)CCCC1(O)C[NH2+]C1CCCCCC1,0
+CC(C(=O)N1CCCC(C(N)=O)C1)[NH+](C)CC(=O)NC(C)(C)C,0
+CC(NC(=O)C[NH2+]C(c1cccs1)C(C)C)c1ccc(NC(=O)C2CC2)cc1,0
+CCOC(=O)c1c(NC(=O)CN2C(=O)NC3(CCCCC3C)C2=O)sc(C(=O)NC)c1C,0
+CNS(=O)(=O)c1cccc(C(C)[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)c1,0
+CC(=O)Nc1cc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c(F)cc1F,0
+Cc1c(O)cccc1NC(=O)c1cnn2c(-c3ccccc3)ccnc12,1
+COc1c(Br)cc(C[NH2+]CC(C)O)cc1Br,0
+[NH2+]=C(Nc1ccc(Cl)cc1)Nc1nc(CSc2nc3ccccc3s2)cc(=O)[nH]1,0
+COc1ccc(-c2nnc(SCC(=O)NN=Cc3c(F)cccc3Cl)n2-c2ccc(OC)cc2)cc1,0
+Nc1[nH+]cc(-c2cccc(S(N)(=O)=O)c2)c2scc(-c3ccc(F)c(Cl)c3)c12,0
+CCC(C)C([NH3+])C(=O)NC1CCCC(OCC(F)(F)F)C1,0
+CCC[NH+]1Cc2cccc(NC(=O)C(=O)NC(C)c3ccc(C(C)C)cc3)c2C1,0
+Cc1ccc(NC(=O)C[NH+](C)Cc2csc(-c3cccc(Br)c3)n2)cc1,0
+Cl.Nc1ncccc1-c1nc2ccc(-c3cccnc3)nc2n1-c1ccc(C2(N)CCC2)cc1,1
+Cc1cc(C)c(CC(=O)Nc2sc3c(c2C(N)=O)CC[NH+](C)C3)c(C)c1,0
+COC(=O)c1ccccc1NC(=O)N1CCC2=c3cc(Cl)ccc3=[NH+]C2C1c1ccc(OC)cc1,0
+CC[NH+](CC)C(CNC(=O)NCC(=O)Nc1ccc(F)c(F)c1)c1ccsc1,0
+COc1ccc(S(=O)(=O)N2CC[NH+](C(C)C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1OC,0
+CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc3c(c2)NC(=O)C(C)S3)c(=O)[nH]c1=O,0
+CC1CC(C)C[NH+](C(C)(C)CNC(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)C1,0
+CCOC(=O)C1=C(CSc2nnc(-c3ccccc3C)o2)NC(=O)NC1c1ccc(Cl)cc1,0
+COc1c(Br)cc(Cl)cc1S(=O)(=O)NC1CCCCC1[NH3+],0
+CC1CCC[NH+](CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1,0
+CC(C)[NH2+]CC(O)CN1C(=O)NC(C)(c2ccco2)C1=O,0
+O=C1N(Cc2ccc(F)cc2)CCCC1(O)C[NH2+]C1CCC(O)CC1,0
+CCC(C)N1C(=O)C(C(C)C)[NH2+]C12CCN(C(=S)Nc1cccc(C)c1)CC2,0
+CCC[NH+](CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C)C(C)c1ccccc1Br,0
+O=C1N(CCc2ccccc2)CCCC1(O)C[NH2+]Cc1cc2ccccc2[nH]1,0
+NC(=O)CSc1ccccc1NC(=O)C[NH+]1CCCC1c1nc2ccccc2s1,0
+Cn1ncc(Cl)c1-c1cc(C(=O)NC2CNCCC2c2ccc(F)c(F)c2)sc1Cl,1
+COc1cc(C(Nc2cccc[nH+]2)c2cc(Cl)c3cccnc3c2O)cc(Br)c1O,0
+O=C(c1ccc(F)c(F)c1F)N1CCc2cc3c(cc2C1)OCO3,0
+CC[NH+](CC(=O)Nc1ccccc1OC)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1,0
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CNCCCn4ccnc4)cc3)nc2n1,1
+Cc1ccc(C(=O)NC2CC[NH+](C(C)C(=O)Nc3ccc(C)c(C)c3)CC2)s1,0
+CCCCCCCCCCCCc1ccc(S(=O)(=O)Nc2nnc(CC(=O)O)s2)cc1,1
+OC(C[NH+]1CCC2(CC1)CC(O)c1cc(Cl)ccc1O2)c1ccc(Cl)cc1,0
+CCOC(=O)C([NH3+])Cc1cc(Br)c(Br)c(Br)c1O,0
+C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)c2c1,1
+CC(=O)N1CCC([NH2+]C2CC(C)(C)C3CC(C)(O)CCC23CCC(=O)NC2CC2)CC1,0
+CC[NH+](CC)CCNc1nnc(NCC[NH+](CC)CC)c2cc3ccccc3cc12,0
+O=C(CSC1NNC(c2ccccc2)N1c1ccccc1)NN=CC1=c2ccccc2=[NH+]C1,0
+CC(C)[NH2+]C1CC(C)(C)C2CC(C)(O)CCC12CCC(=O)NC1CC1,0
+CCC(CC)CNC(=O)C1CN(C(=O)C2(C)CCCCC2)CC12CC[NH2+]CC2,0
+C[NH2+]C(C)c1ccc(NC(=O)Nc2ccc(Br)cc2)cc1,0
+CC(c1nc(N)nc(N(C)C)n1)[NH+]1CCC(C(O)c2ccc(Cl)cc2)CC1,0
+CC(C(=O)Nc1sc2c(c1C(N)=O)CCC2)[NH+](C)CCCOc1ccc(F)cc1,0
+CC1(NNC(=O)NCCCC[NH+]2CCCC2)CCS(=O)(=O)C1,0
+O=C(NCCNc1ccccc1)C1CN(C(=O)C2COc3ccccc3O2)CC12CC[NH2+]CC2,0
+Cc1ccc(CC(=O)N2CC(C(=O)NCCc3cc(C)ccc3C)C3(CC[NH2+]CC3)C2)cc1,0
+CC[NH+](CC)C(CNC(N)=[NH+]CC1CCCO1)c1ccccc1Cl,0
+C[NH+](CC(O)COc1ccc(C(N)=S)cc1)CC(C)(C)C,0
+CC(C)(CNC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)[NH+]1CCCCC1,0
+CC(C)[NH+](CCn1c(SCc2nc3ccc(Cl)cc3c(=O)[nH]2)nc2ccccc2c1=O)C(C)C,0
+O=S1(=O)CCC(C[NH2+]Cc2cc(Cl)cc(Cl)c2O)C1,0
+CC(C)[NH+](CCC(N)=S)CC(=O)Nc1ccc(Br)cc1,0
+CC1Cc2c(Cl)cccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+NS(=O)(=O)c1ccc(CNC(=O)CCCc2nc3ccccc3c(=O)[nH]2)s1,0
+CC(C)C(NC(=O)C1CN(C(=O)c2csc3ccccc23)CC12CC[NH2+]CC2)C(=O)NC(C)(C)C,0
+CC(Sc1nnc(COc2ccc(C(C)C)cc2)n1N)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl,0
+CSc1nc(NCCCC[NH3+])c2sc3nc(N4CCOCC4)c4c(c3c2n1)CC(C)(C)OC4,0
+Cc1cccc(C)c1OCC(O)CNC(=O)NCC(c1cccs1)[NH+](C)C,0
+CSC1=[NH+]C2(CC(c3ccccc3)c3ccc(O)c(C)c3O2)CC(C)(C)N1,0
+O=C(NC(c1ccc(Cl)c(Cl)c1)C1CCNC1)c1ccc2cnccc2c1,1
+Cc1ccc(NC(=O)CSc2nnc(NN=Cc3cnn(C(C)C)c3)n2N)c(Br)c1,0
+O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4cc(-n5cnnn5)ccc4nc3-c3ccccc3)cc2)CC1,1
+Cc1c[nH]c2ncnc(N3CCC(N)(CNC(=O)c4ccc(F)cc4)C3)c12,1
+NNC(=O)C(=Cc1ccc(Br)cc1)NC(=O)c1cccs1,0
+NC1=[NH+]c2nc3cc4c(cc3n2C(c2cc(Br)ccc2OC(F)F)N1)OCCCO4,0
+O=C(CSc1n[nH]c(NN=Cc2cc(Br)ccc2O)n1)Nc1nc2ccccc2s1,0
+CCOc1ccccc1C(=O)N1CC(C(=O)NCCc2ccc(OC)cc2)C2(CC[NH2+]CC2)C1,0
+c1coc(CN2C(Cc3cccs3)NNC2SCC2[NH+]=c3ccccc3=[NH+]2)c1,0
+Nc1ncnc(N2CCC(c3nc(-c4cccc(F)c4)cn3CCN3CCCC3)CC2)c1Br,1
+NCC(c1ccccc1)c1cncc(C=Cc2ccncc2)c1,1
+Cc1ccsc1C[NH+](Cc1csc(-c2ccc(C(N)=O)cc2)n1)C(C)C,0
+O=C(CNc1ccccc1[NH+]1CCC(O)CC1)Nc1cc(Cl)ccc1F,0
+COC(=O)c1sc(NC(=O)CC[NH3+])c(C(=O)OC)c1C,0
+Cc1ccc(CSCC(=O)NC(C)c2ccc(S(N)(=O)=O)cc2)cc1,0
+CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cnccc3-4)cc2)C1,1
+COc1ccccc1NC(=O)C1=C(C)[NH+]=C2N=C(SCc3ccccc3)NN2C1c1cccc(O)c1,0
+CC1(C)Cc2c(c(N3CCOCC3)[nH+]c3sc4c(N(CCO)Cc5ccccc5)ncnc4c23)CO1,0
+Cc1cc(O)c(C[NH+](C)Cc2ccccc2)c2c1C(=O)C(=Cc1c(Cl)cccc1Cl)O2,0
+Cc1ccc2[nH]c3c(=O)n4c(nc3c2c1)SC1CS(=O)(=O)CC14,0
+CCOc1ccc(N2C(=O)Nc3ccc(Br)cc3C2(O)C(=O)NCC[NH+](C)C)cc1,0
+CC(N)COc1cnc(Cl)c(C=Cc2ccncc2)c1,1
+Cc1ccc(-n2nc(C(F)F)cc2S)nn1,0
+Cc1cc(-c2cn(CC3CN(CO)C3)c(C3CCN(c4ncnc(N)c4C(C)C)CC3)n2)ccc1F,1
+CC(C(=O)NC(N)=O)[NH+]1CCC(C)(N(C)C(=O)OC(C)(C)C)CC1,0
+CCCC1(C(=O)NC(C)c2ccccc2Br)CC[NH2+]CC1,0
+CCCCC(C)C(=O)N1CC(C(=O)NCCNc2ccccc2)C2(CC[NH2+]CC2)C1,0
+CC1CCCCC12NC(=O)N(CC(=O)OCC(=O)Nc1sc3c(c1C(N)=O)CCCC3)C2=O,0
+COc1ccccc1C(C(C)[NH3+])N(C)Cc1cc(Br)cs1,0
+O=C(Nc1cc(F)cc(F)c1)NC1(C(=O)[O-])CCCC1,0
+O=C1C2CC3=c4ccccc4=[NH+]C3C(c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1ccc(Cl)cc1,0
+Cc1ccc(S(=O)(=O)N=C2NCN(C(C)(C)C)CN2)cc1,0
+CCc1ccc(C(C)NC(=O)C2CN(C(=O)CC(C)CC)CC23CC[NH2+]CC3)cc1,0
+COc1ccc(C2C3[NH+]=c4ccccc4=C3CCN2C(=O)Nc2ccc(Br)cc2)cc1,0
+CCn1c(SC(c2cc(Br)cs2)C(C)[NH3+])n[nH]c1=O,0
+CC(Nc1nc(CC[NH3+])nc2ccccc12)c1cnn(-c2ccc(F)cc2)c1,0
+CC([NH2+]C(c1ccc(F)cc1)c1cccs1)C(=O)Nc1ccc(Cl)cc1,0
+C=Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(C(F)(F)F)cc3)cn2CCN2CCCC2)CC1,1
+N#Cn1c(CC(=O)N2CCc3ccccc32)nc(N2CCOCC2)cc1=O,1
+Cc1ccc(CN2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1,1
+Cc1cc(Br)ccc1NC(=O)C[NH+](C)CC(=O)Nc1ccccc1C(N)=O,0
+CC(C)NC(=O)N1CC[NH2+]CC1C(=O)NC(Cc1cc2ccccc2[nH]1)C(N)=O,0
+COc1ccccc1CNC(=O)C(NC(=O)C1CCN(C(=O)C([NH3+])CCSC)CC1)C(C)C,0
+CCOC(=O)c1cccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12,1
+O=C(C[NH+]1CCN(Cc2ccccc2Cl)CC1)NN=Cc1ccc(O)c(O)c1,0
+O=C(NCc1nc2ccccc2c(=O)[nH]1)C1CN(C(=O)C2CC=CCC2)CC12CC[NH2+]CC2,0
+COC(=O)C1Cc2c([nH]c3ccccc23)C2CC([NH2+]CCO)CC(c3ccc(C(C)C)cc3)N12,0
+CCn1c(-c2nonc2N)nc2cncc(C(=O)N3CCC(N)C3)c21,1
+CNC(=O)c1ccc(NC(=O)NCC(c2cccs2)[NH+](C)C)c(C)c1,0
+Cc1c(C)c(S(=O)(=O)NC(=[NH2+])NCCCC([NH3+])C(=O)[O-])c(C)c2c1OC(C)(C)C2,0
+Cc1cc(C)cc(NC2=[NH+]C3C(O)C(O)CC(C(=O)NCCN(C)C)C3S2)c1,0
+Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCC(c3ccc(C)o3)[NH+]3CCOCC3)cc2)cc1,0
+CCN(c1ccccc1)c1[nH+]cnc(Nc2ccc(Cl)cn2)c1N,0
+CC1CC(C)C[NH+](C(C(=O)N2CCNCC2)c2ccc[nH]2)C1,0
+CS(=O)(=O)c1ccc(-c2cnc3cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nn23)cc1,1
+NC1(C(=O)NC(CCCN2CCOCC2)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,1
+COc1ccc(C(CNC(=O)CN2C(=O)NC3(CCCCC3C)C2=O)C2=c3ccccc3=[NH+]C2)cc1,0
+CCCCCc1ccc(C2CSCC(C(=O)NCc3ccc(C)cc3)[NH2+]2)cc1,0
+CN(C)c1ccc(C(CNC(=O)CC2Sc3ccccc3NC2=O)C2=c3ccccc3=[NH+]C2)cc1,0
+Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(C)Sc1nc(N)cc(=O)[nH]1,0
+COc1ccccc1NC(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+NC(=O)c1ccsc1NC(=O)c1cc(=O)c2ccccc2o1,0
+CC[NH2+]C1CCC(NS(=O)(=O)c2cc(Cl)sc2Cl)CC1,0
+CNC(=O)NC(OC(NC(=O)NC)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,0
+O=C(Nc1c(C(c2ccc(Cl)cc2)[NH+]2CCN(CCO)CC2)oc2ccccc12)c1ccccc1,0
+Cc1cc(C(=O)N2CC(C(=O)NC(C(=O)NC(C)(C)C)C(C)C)C3(CC[NH2+]CC3)C2)c(C(F)(F)F)o1,0
+CCCc1ccc(OCC(O)CNC2CC(C)(C)[NH2+]C(C)(C)C2)cc1,0
+O=c1c2cc(Br)ccc2ncn1Cc1nnsc1Cl,0
+CCC(C)Oc1ccc(C2CC(=O)NC3=C2C(=O)CC(c2ccc(OC(C)C)cc2)C3)cc1,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12,1
+CC([NH2+]CC(O)COc1ccc(Cl)cc1Cl)c1cccs1,0
+Cc1ccc(NS(=O)(=O)N2CC[NH2+]CC2)c(F)c1,0
+COC(CN1CC(=O)N2C(Cc3c([nH]c4ccccc34)C2c2ccc([N+](=O)[O-])cc2)C1=O)OC,0
+CCC(C)NS(=O)(=O)c1ccc(NC(=O)C[NH2+]Cc2cccs2)cc1,0
+NC(=O)C([NH2+]Cc1ccc(COCC(F)(F)F)cc1)c1ccc(F)cc1,0
+COc1cccc(C2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)c1OC(C)C,0
+Cl.Nc1ncccc1-c1nc2ccc(-c3cccnc3)nc2n1-c1ccc(C2(N)CCC2)cc1,1
+COCC(C)NC(=O)CNc1c(C)cc(Br)cc1C,0
+Cn1cc(C=NNc2nc(SCC(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)n[nH]2)cn1,0
+CC[NH+](CCC(N)=NO)Cc1ccc(F)c(Br)c1,0
+CC1Cc2cc(F)c(F)cc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)n1C,1
+CC([NH3+])C(Sc1ncnc2nc[nH]c12)c1ccc(Br)s1,0
+CC1CCC2C(CCCN2C(=O)CN2C(=O)C3CCCCC3C2=O)C1,0
+CC(C)Oc1ccc(C2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)cc1,0
+CC(C)C(NC(=O)C1CN(C(=O)c2ccc(Br)cc2)CC12CC[NH2+]CC2)C(=O)NC(C)(C)C,0
+Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2-c2ccc(C#N)cc2)CC1,1
+O=C(COC(=O)c1ccc(C2Nc3ccccc3S(=O)(=O)N2)cc1)NCc1ccccc1Cl,0
+CC1CC(C)C[NH+](CC(=O)Nc2ccc(N)cc2Br)C1,0
+Cc1ccc(S(=O)(=O)C(CNC(=O)C(=O)NCCC[NH+](C)C)c2cccs2)cc1C,0
+C[NH+](Cc1cccc(C(N)=S)c1)Cc1cc(Br)cs1,0
+Cc1ccc(C)c(N2N[NH2+]NC2SCC(=O)NC(CC2=c3ccccc3=[NH+]C2)C(=O)[O-])c1,0
+CC[NH+]1CCC(CNS(=O)(=O)c2cc(Br)ccc2N)C1,0
+CCC(=O)Nc1ccc(C(C)NC(=O)NCC(c2cccs2)[NH+](C)C)cc1,0
+Cc1ccc(NC(=S)NCC(C)(C)[NH+]2CCCCC2)cc1Cl,0
+CCCCCCCCCCCCOc1ccc(NC(=N)N)cc1NC(=N)N,1
+Cc1[nH+]c(SCC(=O)NC2N=C3CCCCC3S2)[nH]c1Cc1ccc(O)cc1,0
+Cc1cccc(NC(=O)NCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)c1,1
+Cc1ccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(OCC(=O)N(C)C)c1,0
+COc1cc(C2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Br)cc4)c32)cc(Cl)c1O,0
+CC(C)C(C[NH+](C)C)NS(=O)(=O)c1cc(N)c(F)cc1Cl,0
+COc1ccc(C2(C)NC(=O)N(CCCC[NH3+])C2=O)cc1OC,0
+CCOC(=O)NC(CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)CC(C)C,0
+Cc1ccc(NC(=O)c2cc3ccc(O)cc3oc2=[NH+]c2ccc(S(N)(=O)=O)cc2)cc1,0
+CCOC(=O)c1c(NC(=O)CSc2n[nH]c(NN=C(C)c3ccc(C)cc3)n2)sc2c1CCCC2,0
+c1ccc(OC2CCCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)C2)cc1,1
+O=S1(=O)CC(Cl)C(N=Cc2ccoc2)C1,0
+CC(C)(CO)[NH2+]Cc1cc(Cl)ccc1OCc1c(Cl)cccc1Cl,0
+CC#CCNC(=O)NC(CC(C)C)C(=O)[O-],0
+Nc1nc(COC(=O)CC2=c3ccccc3=[NH+]C2)nc(Nc2ccccc2)n1,0
+CCN1CC(C[NH+](C)CCC(=O)NC(N)=O)Oc2ccccc21,0
+CCCN(CC(N)=S)S(=O)(=O)c1sccc1Br,0
+CCC(C)N1C(=O)C2C(CC(N)=O)NC3(C(=O)Nc4c(Cl)cccc43)C2C1=O,0
+CC1CCN(C2=NC(=NCC(C)NC3CC(C)(C)[NH2+]C(C)(C)C3)S2)CC1,0
+CCCOc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)C2c1ccccc1Br,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1c2ccccc2CC1C1CC1,1
+CC1Cc2c(Cl)cccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+Cc1cccc(C)c1OCC(O)CNC(=O)NCC(c1ccsc1)[NH+](C)C,0
+CC1CCC[NH+]1C(C)C(=O)Nc1c(N)cc(Cl)cc1Cl,0
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(C(=O)Nc5ccncc5)CC4)cc3)nc2n1,1
+NC(=O)c1ccsc1NC(=O)C[NH+]1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1,0
+CC(=Cc1ccccc1)CNC1CC(C(=O)NC(C)C)[NH+](C(C)C)C1,0
+CC(C)CC(CO)[NH2+]CC(O)COc1cc(Cl)ccc1Cl,0
+CC(=O)Nc1c(Cl)cc2c(c1Cl)Cc1cc(N(CCO)CCO)ccc1-2,0
+COc1cncc(-c2cc(C)cn3c(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nc23)c1,1
+CC1Cc2c(F)cccc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)[nH]1,1
+CCOc1c(Br)cc(Cl)cc1NC(=O)C1CCCC[NH2+]1,0
+CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)NCc4cccs4)ccc3n2)CC1,0
+Nc1ncnc2nc(-c3ccc(CN4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)c(-c3ccccc3)cc12,1
+OC1CCN(C2CC[NH+](C3CCCCC3)CC2O)CC1,0
+CC(C)[NH+]1CCc2c(sc(NC(=O)c3ccc(Br)o3)c2C(N)=O)C1,0
+O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccc(C(F)(F)F)cc1,1
+CC[NH+]1CCCC1CNC(=O)c1cnn(-c2ccc(C)cc2)c1C1CCN(C(=O)OC(C)(C)C)CC1,0
+Cc1cc(NC(=O)Cc2ccc(-c3cccc4[nH]nc(N)c34)cc2)ccc1F,1
+Cc1cccc(-c2nnc(Cc3cc(C4OC(CO)C(O)C(O)C4O)ccc3Cl)s2)n1,0
+Cc1ccc2c(c1)C(O)CC1(CC[NH+](CC(O)c3c(C)n(C)c4ccccc34)CC1)O2,0
+C#Cc1cccc(NC(=O)CCCCC2SCC3NC(=O)NC32)c1,0
+CCCCn1c(N)c(N(CC)C(=O)C[NH+](C)Cc2ccccc2N2CCCCC2)c(=O)[nH]c1=O,0
+CC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(c2nc(C[NH+](C)C)nc3sc4c(c23)CCCC4)CC1,0
+CCCC(C)C(=O)N1CC(C(=O)NCCNc2ccccc2)C2(CC[NH2+]CC2)C1,0
+COCC1CCC[NH+]1C1C(CNC(=O)Nc2cccc(Cl)c2)OC(CO)C1O,0
+CCC[NH2+]C(c1ccoc1)c1cc2[nH]c(=O)[nH]c2cc1Br,0
+O=C(C[NH+]1CCN(C(=O)CCc2nc(-c3cccs3)no2)CC1)Nc1ccccc1C(F)(F)F,0
+Cc1ccc(NC(=O)NC(=O)C[NH+](C2CC2)C2CCc3ccccc32)c(C)c1,0
+NC(=O)C1CCC[NH+]1Cc1cccc(NC(=O)C=Cc2ccc(N3CCCC3=O)cc2)c1,0
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CNCCC(=O)c4ccccc4N)cc3)nc2n1,1
+CC(C)(CO)C[NH2+]C1CCc2c(sc3ncn(C4Cc5ccccc5C4)c(=O)c23)C1,0
+Cc1ccc(SCC(=O)NNC(=O)NCC(c2cccs2)[NH+](C)C)cc1,0
+Cn1ncc(Cl)c1-c1cc(C(=O)NC2CNCCC2c2ccc(F)c(F)c2)oc1Cl.O=C(O)C(O)C(O)C(=O)O,1
+CC1CC(C)C[NH+](C(C)(C)CNC(=O)C(C)NC(=O)c2ccccc2Cl)C1,0
+CCc1c(C(=O)OC)sc2nc(C[NH+](CC(O)COc3ccccc3C)C(C)C)[nH]c(=O)c12,0
+CCCC(C)C(=O)N1CC(C(=O)NCC[NH+](C(C)C)C(C)C)C2(CC[NH2+]CC2)C1,0
+COC(=O)C[NH+]1C(c2ccc(OC)cc2OC)Nc2ccc(Br)cc2C1c1ccccc1,0
+COc1ccc(C2CC(=O)NC3=C2C(=O)CC(c2ccc(OC(C)C)c(OC)c2)C3)cc1Br,0
+CCCCN(C(=O)C=Cc1cc(Cl)c(OC)c(OCC)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O,0
+Cc1ccc(C(=O)NNC(=O)c2[nH]nc(C)c2Br)cc1,0
+CC(=O)Nc1cn2cc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)ccc2n1,1
+CCn1c(=O)n(CC(=O)NC2CCCCC2)c(=O)c2c(C)c(C(=O)NN)sc21,0
+Cc1cc2nn(CN3CCOC(c4ccc(F)cc4)C3)c(=S)n2c2ccccc12,0
+COCCNC(=O)c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+O=C(NCC(O)c1ccc(F)c(F)c1)NCC(c1ccco1)[NH+]1CCCCC1,0
+COc1ccc(C(SC2CCOCC2)C(C)[NH3+])cc1,0
+CCCC(C)NC(=O)C1CCC[NH+](C(C)C(=O)Nc2ccc(C(N)=O)cc2)C1,0
+Cc1c(NCCN2CCCC2)cc(CCC(C)(C)C)cc1N1CCN(c2ncnc3[nH]nc(Br)c23)CC1,1
+CC1CCCC([NH3+])C1C(=O)N1CCCC(CO)C1,0
+C[NH+]1CCN(Cc2cc(-c3ccc(F)cc3)ccc2OCC(=O)NCC2COc3ccccc3O2)CC1,0
+CCCC([NH2+]C(CC)c1cc(Br)ccc1O)c1cccs1,0
+CN(C)c1ccc(Nc2nc(NCCCO)c3ccccc3[nH+]2)cc1,0
+CCOC(=O)C(C)([NH3+])CCCCn1nc(C)c(Br)c1C,0
+CCOC(=O)NNC=C1C=CC(=O)C=C1[O-],0
+CC(CC#N)Sc1ccccc1NC(=O)NCC(O)c1ccc(Cl)cc1,0
+CC(C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[NH+]1CCC(O)CC1,0
+OC1CCCC1Oc1ccc(C[NH2+]C2CC2)cc1Br,0
+Cc1ccccc1NC(=O)C1C(=O)CC(C)(O)C(C(=O)Nc2ccccc2C)C1c1ccc(C(C)(C)C)cc1,0
+O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)N1CCC([NH+]2CCCC2)C1,0
+COc1ccc2[nH]c3c(c2c1)CC[NH2+]C3c1c(O)n(-c2ccc(C)cc2)c(=O)n(-c2ccc(C)cc2)c1=O,0
+CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2Nc2ccc(C)cc2)cc1,0
+Cc1cn(C2CC(N=[N+]=[N-])C(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O2)c(=O)[nH]c1=O,0
+CCN1CC(C=C(NC(=O)c2ccc(C)cc2)C(=O)NCCC2=c3ccccc3=[NH+]C2)c2ccccc21,0
+CC1Cc2cc(F)ccc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)[nH]1,1
+CCCC(=O)Nc1ccc(C(=O)CN2C(=O)NC(C)(c3ccc(C(C)C)cc3)C2=O)cc1,0
+CCCCNc1[nH+]c2c(s1)CC1C(C)(CO)C(O)CCC1(C)C2CC(=O)Nc1ccccc1,0
+CCOC(=O)Cc1nc(N2CCOCC2)cc(=O)n1C,1
+Cc1ccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)cc1C,1
+CC1(CO)C(O)CCC2(C)C(CC(=O)N3CCOCC3)c3nc(NC(=O)N4CCOCC4)sc3CC12,0
+COc1c(Br)cc(Br)cc1C(=O)Nc1cccc(Cl)c1N1CC[NH+](C)CC1,0
+NC(=O)c1cc([N+](=O)[O-])cn(Cc2c(Cl)cccc2Cl)c1=O,0
+CC(=O)[NH+]=c1ccc2c(CSc3nnc(-c4ccc(Cl)cc4Cl)n3N)cc(O)oc-2c1,0
+CC(C)C1C(C(=O)NNC(=O)C2=c3ccccc3=[NH+]C2)=CNN1c1ccc(Cl)cc1,0
+CC(C)(C)c1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,1
+O=C(COc1ccccc1F)NCC(O)c1ccc(F)c(F)c1,0
+COc1cccc2c1CCN2C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+C[NH+](C)C(CNC(=O)NCC1(O)CCCc2ccccc21)c1ccsc1,0
+CCC(C)C([NH3+])C(=O)N1CCC[NH+](CC(=O)N(C)C)CC1,0
+CC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1,0
+CCN(CCn1cc(-c2ccc(F)c(C)c2)nc1C1CCN(c2ncnc(N)c2OC(C)C)CC1)C(C)C,1
+CC1CCCC(Oc2ccc(C(N)=[NH2+])c(C(F)(F)F)c2)C1,0
+NC(CSc1ccc(Cl)cc1Cl)=[NH+]Nc1ncc(C(F)(F)F)cc1Cl,0
+CCC(CC)C(=O)N1CC(C(=O)NCC(C)C)C2(CC[NH2+]CC2)C1,0
+CC(C)Oc1c(N)ncnc1N1CCC(c2nc(-c3ccnc(C(F)(F)F)c3)cn2CCN2CCC2)CC1,1
+CCCn1c(CCC(=O)NCC(C(C)C)[NH+](CC)CC)nc2cc(S(N)(=O)=O)ccc21,0
+Cc1cc(C)c(NC(=O)C[NH2+]Cc2ccc(OC(C)C)cc2)c(C)c1,0
+CC(C(=O)NC(=O)NC(C)(C)C)[NH+]1CC=C(c2ccc(O)cc2)CC1,0
+NC(=O)COc1ccc(NC(=O)NCC2CCC[NH+]2CC2CCCCC2)cc1,0
+Cc1nn(C)c(N(C)Cc2csc(Br)c2)c1C[NH3+],0
+CC[NH+](CC)Cc1ccccc1CNC(=O)NNC(=O)c1ccc(COc2ccccc2)o1,0
+CC1CCC2C(CCCN2C(=O)C2CSC3(C)CCC(=O)N23)C1,0
+C[NH+](CCO)CC(O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1,0
+CC(C)C1C(C(=O)NNC(=O)C2=c3ccccc3=[NH+]C2)=CNN1c1ccc(Cl)cc1,0
+C[NH+](C)Cc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)NC12CC3CC(CC(C3)C1)C2,0
+COC(=O)c1cccc2c1nn1cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc21,1
+Cc1cc(C)cc(NC(=O)CSc2n[nH]c(NN=Cc3cc(Br)ccc3O)n2)c1,0
+CNC(=O)COc1ccccc1C[NH2+]CCCN1C(=O)NC2(CCCC2)C1=O,0
+O=C(c1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,1
+CSCCC(=O)N1CC(C(=O)NC(C)c2nc3ccc(C)cc3[nH]2)C2(CC[NH2+]CC2)C1,0
+Cc1ccc(C(C)C)c(OCCn2c(CNC(=O)c3ccccc3Cl)nc3ccccc32)c1,0
+C[NH+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(=O)Nc1ccccc1Br,0
+CCC(N)C(c1cc(Br)cs1)[NH+](C)Cc1cccc(C)c1,0
+CC(C(=O)N1CCc2c(F)cccc21)c1nc(N2CCOCC2)cc(=O)[nH]1,1
+COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NCCC2CC3C=CC2C3)c1,0
+Cc1cc(C([NH3+])c2ccccc2I)cc([N+](=O)[O-])c1C,0
+[NH3+]C1CCC(Oc2cc(F)cc([N+](=O)[O-])c2)CC1,0
+C=CC[NH+](CC(O)c1ccc(O)c(C(N)=O)c1)C(C)CCc1ccccc1,0
+Oc1ccccc1NCC(c1ccc(Cc2ccccc2)cc1)[NH+]1CC[NH2+]C(c2ccccc2O)C1,0
+Cc1oc(C)c(S(=O)(=O)NC2CCCCC2C)c1C(=O)[O-],0
+CC(C)C(c1ccccc1S(=O)(=O)C(F)F)C(C)[NH3+],0
+Cc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3ccn12,1
+Cc1n[nH]c2cnc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12,1
+[NH3+]CC1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2F)C1,0
+NC(=O)CC1CC[NH+](CC(=O)NC(c2ccc(F)cc2)c2cccs2)CC1,0
+CC(=O)N1CCN(C(=O)C2CC[NH2+]CC2)CC1C(=O)NC(CC1CCCCC1)C(N)=O,0
+COc1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)nc(OC)n1,1
+OC(C[NH2+]CCC12CC3CC(CC(C3)C1)C2)COc1ccc(Cl)cc1Cl,0
+Nn1cnc2c(c(-c3ccc(Cl)cc3)cn2-c2ccccc2)c1=[NH2+],0
+O=C(NC(CO)c1ccccc1)c1ccc(-c2ccncc2)cc1,1
+CCC([NH2+]C(C)c1ccc(O)cc1O)c1ccc(Br)cc1,0
+CCOc1cc(C[NH3+])cc(Br)c1OCCC(=O)NC1CC1,0
+Cc1nc2nc(-c3ccc(CN4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)c(-c3ccccc3)c(NC(C)C)n2n1,1
+Oc1ccc(C[NH2+]C(c2cccs2)C2CCCC2)cc1Br,0
+O=C(N1CCN(c2ncnc3[nH]cc(Br)c23)CC1)C1(c2ccc(Cl)cc2)CCNCC1,1
+COc1ccc(OC)c(S(=O)(=O)N2CCn3c(cc4ccccc43)C2)c1,0
+Cc1cc(C(N)=O)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12,1
+CC1CN(c2nc3sc4c(c3c(=O)n2C)CCCC4)CC(C)O1,0
+CCOc1ccc(-c2csc3ncn(CC(=O)Nc4sc5c(c4C(N)=O)CCCC5)c(=O)c23)cc1,0
+CCC(Oc1cc2sc(C)nc2c2sccc12)C(N)=[NH2+],0
+NC(COc1cncc(-c2ccc3c(c2)CC(=O)N3)c1)Cc1ccccc1,1
+CSc1nc2nc(-c3ccc(CN4CCC(c5n[nH]c(-c6ccccn6)n5)CC4)cc3)c(-c3ccccc3)cn2n1,1
+CCCN(CC(F)(F)F)C(c1ccc(Br)cc1)C([NH3+])CC,0
+COc1ccc(C(CNC(=S)Nc2cccc(Cl)c2)[NH+]2CCCC2)cc1,0
+CCN(CC(=O)NC(C)c1ccc2c(c1)CCCC2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,0
+CCNC(=O)C1CC([NH3+])CN1S(=O)(=O)c1ccc(-c2ccno2)o1,0
+CCC(C)NC(=O)CSc1nc2n[nH]c(C)c2c(=[NH2+])n1-c1ccc(Cl)c(C)c1,0
+CC(C(=O)Nc1sccc1C(N)=O)[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1,0
+NC(=O)c1ccc(NC2CNCCC2c2ccc(Cl)c(F)c2)c2cncnc12,1
+CC(C)N1N[NH2+]NC1SCC(=O)NC(CC1=c2ccccc2=[NH+]C1)C(=O)[O-],0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)c4ccccc4)c3)cc12,1
+NC(=[NH2+])C1C(=O)N(c2ccccc2)NC1CSc1ccc(Cl)cc1,0
+CCC([NH3+])C(Oc1ccc(C(N)=O)cc1)c1cc(Br)cs1,0
+Nc1ncccc1-c1nc2cc(Br)cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,1
+COCC1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+N=C(N)n1c(=N)ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)cc21,1
+CCCC12CCN3CC(CCC)(C[NH+](C1)C3c1c(O)ccc3ccccc13)C2O,0
+[NH3+]CCCCCC(=O)NCCCN(c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1,0
+CCN(c1nccc(-c2ccc3nc(NC(C)=O)sc3c2)n1)S(=O)(=O)c1ccc(OC)cc1,1
+O=C(Nc1cc(Br)ccc1Br)C1CC(O)C[NH2+]1,0
+NC(=O)Nc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3ccn12,1
+CC(C)NC(=[NH+]N)c1ccc(Br)o1,0
+Cc1cccc(NC(c2cccc(Cl)c2)c2ccc3cccnc3c2O)[nH+]1,0
+CC(NC(=O)C(C)[NH+]1CCCCCCC1)c1ccc(S(N)(=O)=O)cc1,0
+CNS(=O)(=O)c1cc(C(=O)NNC(=O)CC2=c3ccccc3=[NH+]C2)n(C)c1,0
+NS(=O)(=O)c1ccc([NH+]=c2oc3ccccc3cc2C(=O)Nc2ccc(F)cc2)cc1,0
+[NH3+]CCCNc1ncnc2scc(-c3ccc4c(c3)CCCC4)c12,0
+CC1=CC(=O)C(C(=O)NCCC2[NH+]=c3ccc(Cl)cc3=[NH+]2)C(C2CC2)N1Cc1cccs1,0
+Cc1c(C(N)=O)sc(NC(=O)C[NH+]2C(C)CCCC2C)c1C(=O)OC(C)C,0
+CC[NH+](CCC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)NC(C)c1ccccc1Cl,0
+CCOc1cccc2cc(C(=O)Nc3ccc(C)c(C)c3)c(=[NH+]NS(=O)(=O)c3ccc(C)cc3)oc12,0
+COc1c(C)ccc([N-]S(=O)(=O)c2sc(=O)[nH]c2C)c1C,0
+Nc1ccc(N2CCS(=O)(=O)CC2)c2[nH+]cccc12,0
+CC(NC1C[NH+]2CCC1CC2)C(=O)NC(N)=O,0
+Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CNC(=O)Cc2ccccc2)cc1,1
+OCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccc(Br)cc2-3)cc1,1
+CC(=O)c1ccccc1OCC(O)C[NH+]1C(C)(C)CC(O)CC1(C)C,0
+CCN(c1cccc(C)c1)c1nc[nH+]c(Nc2cc(C)ccn2)c1N,0
+C[NH+]1CCCCC1CNS(=O)(=O)c1c(Cl)cc(N)cc1Cl,0
+CCC(CC(N)=NO)[NH+](C)Cc1csc(Br)c1,0
+Cn1c(CC(=O)N2CCc3c(O)cccc32)nc(N2CCOCC2)cc1=O,1
+CC(O)C[NH2+]CC[NH2+]Cc1ccc(-c2ccc(Br)cc2Br)o1,0
+N#CC1=C(N)OC2=c3ccccc3=[NH+]C(=O)C2C1c1ccc(Cl)cc1Cl,0
+COC(=O)C1(C#N)C(c2ccc(Br)cc2)C(C(=O)c2ccccc2)[NH+]2C=Cc3ccccc3C21,0
+COc1ncc(-c2cc3c(C)nc(N)nc3n(C3CCC(OCC(N)=O)CC3)c2=O)cn1,1
+CCn1nccc1C=C1SC(S)=NC1=O,0
+Cc1cccc(CSC2NNC(C(CC3=c4ccccc4=[NH+]C3)NC(=O)OC(C)(C)C)O2)c1,0
+CSc1ccc(C(c2c(NC(=O)c3ccco3)sc(C)c2C)[NH+]2CCC(C)CC2)cc1,0
+CC(=O)Oc1cccc(C(=O)Nc2cccc(C(=O)[O-])c2C)c1,0
+C[NH2+]C(C)(CCCCSc1ccc(Br)cc1)C(N)=O,0
+CC(C)(C)C1CCC2=C3C(=O)N=C(CCC(=O)NCCC4=c5ccccc5=[NH+]C4)N=C3SC2C1,0
+O=C(CNC(=O)NCCC[NH+]1CCc2ccccc2C1)Nc1cccc(F)c1,0
+COC(=O)COc1ccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(C)c1,0
+NC(=O)c1cc(NC(=O)C[NH+]2CC=C(c3ccc(O)cc3)CC2)cc(C(N)=O)c1,0
+CCC(C)C([NH3+])c1nnc(SCC(=O)Nc2ccc(C)cc2C)o1,0
+CCOc1ccccc1CNC(=O)C1[NH+]=c2cc(C)ccc2=C1Sc1ccc(Cl)cc1,0
+CCn1c(-c2nonc2N)nc2c(C#CCO)ncc(OCCCN)c21,1
+C#CCOCC(O)C[NH+](CCOC)Cc1nc2scc(-c3ccc(C)cc3)c2c(=O)[nH]1,0
+CC(C)[NH+](CCNC(=O)NCc1ccc(S(N)(=O)=O)cc1)C(C)C,0
+CCn1c(C[NH2+]C(c2ccccc2)c2cccs2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21,0
+COc1ccc(C2C(C#N)=C(N)OC3=CC(C)=NC(=O)C32)cc1,0
+CC1(C)CC2CC(C)(C[NH+]2CCC(O)c2ccc(F)c(N)c2)C1,0
+COc1ccc(-n2cc[nH+]c2C[NH+]2CCCC2c2ccc(C(N)=O)s2)cc1,0
+CCC(CNC(=O)Nc1ccccc1CC(=O)NC)[NH+]1CCc2ccccc2C1,0
+CCC(N)COc1cncc(-c2cc3c(cnc4cc(OC)c(OC)cc43)c(N)n2)c1,1
+CC(C)C(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)N=C2CCCCCN2)cc1,0
+CCOc1ccc(C2=NC(c3ccc(OC)c(Br)c3)[NH2+]C(c3cccc(OCC)c3O)C2)cc1,0
+CCOC(=O)N1CCC(NC(=O)C2C[NH2+]C(C)CN2)CC1,0
+COC(=O)c1ccccc1-c1nc2ccc(-c3cccc(N4CCOCC4)c3)nc2n1-c1ccc(C2(N)CCC2)cc1,1
+COCCc1ccc(C([NH3+])c2ccc(I)cc2)cc1,0
+NC(=O)c1cc2ccc(O)cc2oc1=[NH+]c1cc(F)ccc1F,0
+O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4cc5[nH]cnc5cc4nc3-c3ccccc3)cc2)CC1,1
+CC(C)c1ccc(NC(=O)CC2[NH2+]C3CCCCC3NC2=O)cc1,0
+Cc1c(-c2nc(N)nc(=[NH+]c3ccc(F)cc3)[nH]2)oc2ccccc12,0
+CC(O)(c1ccc(Br)cc1)C(C[NH2+]CCCCO)c1ccccc1,0
+CC(C)C(=O)N1CCN(C(=O)C2COc3ccc(Cl)cc3C2)CC1,0
+CC(C)C[NH+](Cc1nc2scc(-c3ccccc3F)c2c(=O)[nH]1)CC(O)COC(C)C,0
+CCC(CO)[NH2+]Cc1cc(Br)c(OC(C)C)c(Br)c1,0
+COc1ccc(S(=O)(=O)Nc2cncc(-c3ccc4nc(NC(C)=O)sc4c3)c2)cc1,1
+CN(CC(=O)NCC(C1=c2ccccc2=[NH+]C1)C1CC=CS1)S(=O)(=O)c1ccc(Cl)cc1,0
+COc1ccc(C2[NH2+]CCc3c2[nH]c2ccccc32)cc1CSC1[NH+]=c2ccccc2=[NH+]1,0
+OC(COc1ccccc1Br)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1,0
+CCC[NH+]1CCN(C(c2ccc(Br)cc2)C([NH3+])CC)CC1,0
+O=C1NC(=O)C2(CCN(C(=O)CN3C(=O)COc4ccccc43)CC2)N1,0
+COc1ccc(CCNC(=[NH2+])NCCCN2CCC[NH+](C)CC2)cc1,0
+COc1cccc(COC(C[NH+]2CCN(C(=O)Nc3ccccc3C)CC2)c2ccc(Cl)cc2)c1,0
+CCC[NH+]1CCc2c(sc(NC(=O)c3cc4cccc(OCC)c4o3)c2C(N)=O)C1,0
+NC(CNc1cc(-c2ccc3cnccc3c2)no1)Cc1ccc(C(F)(F)F)cc1,1
+NC(=S)CCN(C1CC1)S(=O)(=O)c1cc(Cl)cc(Cl)c1,0
+COc1ccccc1C(CNC(=O)NNC(=O)CCC(C)C)[NH+]1CCCCC1,0
+CCC(CO)CNc1nc(SC)nc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3,0
+CC1=c2cccc(Cl)c2=[NH+]C1C[NH2+]C1CCCC2C1=CNN2c1ccccn1,0
+COc1ccc(C(C)[NH2+]C(C)C(=O)NC(=O)NCC(F)(F)F)cc1F,0
+Nc1ncccc1-c1nc2ccc(Nc3ccccc3)nc2n1-c1ccc(C2(N)CCC2)cc1,1
+Cc1cccc2oc(=O)c3c(c12)OC(C)C3(C)CC1CC(C)C(=O)O1,0
+Nc1nc(Nc2ccc3ncsc3c2)cc(Nc2ccc(C(=O)N3CCCC4CCCCC43)cc2)[nH+]1,0
+Cc1ccc(CNC(=O)C(NC(=O)C2CCN(C(=O)C([NH3+])CC(C)C)CC2)C(C)C)cc1,0
+CC[NH+](CC)CCN(C(=O)C1CCCN1S(=O)(=O)c1ccc(OC)cc1)c1nc2c(C)cccc2s1,0
+CC(c1ccccc1Cl)[NH+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)C1CC1,0
+C=C(C)CNC(=S)NCC(C1=c2ccccc2=[NH+]C1)C1CC=CS1,0
+NC(=O)C([NH2+]C1CCCCC1)c1cccc(Cl)c1Cl,0
+CC(c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC(=O)NC1CCCc2ccccc21,0
+Cc1ccc(C(=O)Oc2ccc(C3N=C(O)c4c(sc5c4CC[NH+](C(C)C)C5)N3)cc2)cc1,0
+Cc1ccc(Cl)c(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccco2)c1Cl,0
+Nc1c2c(-c3cccc(F)c3F)nc(NCC[NH+]3CCCC3)nc2nn1-c1ccc(F)cc1,0
+CC[NH+](CC)CCN1C(=O)C(=O)C(=C(O)c2cc3ccccc3o2)C1c1ccc(C(C)(C)C)cc1,0
+CC(=O)c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+CC(c1nc(N)nc(Nc2ccccc2)n1)[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,0
+COC(=O)c1cc(NC(=O)CC2[NH2+]C3CCCCC3NC2=O)cc(C(=O)OC)c1,0
+CCNC(=O)C(C)[NH2+]C(C)c1cc2cc(Br)ccc2o1,0
+COc1ccc(C(NC(=O)C[NH+](C)C(C)c2ccc(S(N)(=O)=O)cc2)C(C)C)cc1,0
+CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cc(F)ccc3-4)cc2)C1,1
+CC(C(=O)NC(=O)NCC1CCCO1)[NH+]1CCCC(O)C1,0
+O=C(CCCNC(=O)C1C=c2ccccc2=[NH+]1)NC1Nc2ccccc2S1,0
+N#CC(=Cc1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)C1[NH+]=c2ccccc2=[NH+]1,0
+CC(=O)Nc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+Nc1ncccc1-c1nc2cc(C3CCCC3)cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,1
+CCC[NH2+]C(CC(F)(F)F)c1cc2[nH]c(=O)[nH]c2cc1Br,0
+CC(Oc1ccccc1F)C(=O)NNC(=O)C(NS(=O)(=O)c1ccc2ccccc2c1)C(C)C,0
+Cc1ccc(NC(=O)c2cc3cc(C(C)(C)C)cc(O)c3oc2=[NH+]c2ccc(S(N)(=O)=O)cc2)cc1,0
+O=C(NC(Cc1ccccc1)C(=O)N1CCC2(CC1)NCCc1[nH]c[nH+]c12)c1ccco1,0
+CCOC(=O)Nc1ccc2c(CSC(N)=[NH+]C(C)C)cc(=O)oc2c1,0
+N#CC(c1ccccc1Cl)N1CCC2(CC1)OCCO2,0
+NC(=O)C1Cc2ccccc2C[NH+]1CC(=O)Nc1ccccc1Sc1ccccc1,0
+Cc1cccc(-c2nc(C3CN(Cc4ccc(-c5nc6nc(C)nn6c(C)c5-c5ccccc5)cc4)C3)n[nH]2)n1,1
+CC(C)C(C)[NH2+]CC(=O)NNC(=O)c1ccc(Br)cc1,0
+CC(c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC(=O)NC1CCCc2ccccc21,0
+CC([NH2+]Cc1ccc(O)c(O)c1)c1cccc(Br)c1,0
+COc1cccc(-c2nnc(SC(C)C(=O)NC(=O)NC(C)(C)C)n2-c2ccc(Cl)cc2)c1,0
+Cc1c(Cl)cccc1NC(=O)c1oc2c(c1C)C(=NNC(N)=[NH2+])CC(C)(C)C2,0
+CNc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C)c4)cn3CC3CNC3)CC2)c1Cl,1
+Cc1ccc(C([NH2+]CC(=O)Nc2sccc2C(N)=O)c2cccs2)cc1,0
+OC(COc1ccccc1C[NH2+]CCc1ccccn1)C[NH+]1CCSCC1,0
+Nc1ncnc2nc(-c3ccc(CN4CCC(n5ncc6c(N)ncnc65)CC4)cc3)c(-c3ccccc3)cc12,1
+COc1cccc2cc(C(=O)Nc3ccccc3F)c(=[NH+]c3ccc(S(N)(=O)=O)cc3)oc12,0
+Cc1cc(C)cc(N2C(=NC(=O)C(C)C)SC3CS(=O)(=O)CC32)c1,0
+CCCCNC(=O)C(c1c(O)cc(O)cc1O)N(Cc1ccc(C)o1)C(=O)c1ccccc1,0
+CC(C)CN(C(=O)C[NH+]1CC(C)CC(C)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,0
+CN(Cc1csc(Br)c1)C(C[NH3+])c1cc(Br)cs1,0
+CCC(C)NS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1,0
+CC(C)Oc1ccc(C[NH2+]CC(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1,0
+Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NN=Cc3ccc(OCC(=O)[O-])cc3)c2n1,0
+NNc1nc(NN)c2c([nH+]1)CC1=C2CC(c2ccccc2)SC1c1ccccc1,0
+NC(=O)COc1ccc(CNCC(c2c(F)cccc2Cl)[NH+]2CCCC2)cc1,0
+NC(COc1cnc2ccc(-c3ccncc3)cc2c1)Cc1c[nH]c2ccccc12,1
+C[NH+]1CCCC(CNc2cc(S(N)(=O)=O)ccc2Cl)C1,0
+Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2-c2cncnc2)CC1,1
+Cc1cc(C=NNC(N)=O)c(C)n1Cc1ccco1,0
+c1ccc(-c2c[nH+]c(CNc3nc(CN4CCOCC4)nc4scc(-c5cccs5)c34)[nH]2)cc1,0
+NC(=O)NC(CC(=O)N1CC=C(C2=c3ccccc3=[NH+]C2)CC1)c1ccccc1Cl,0
+COc1ccc(-c2nc(N3CC[NH+](C(C)C)CC3)nc3nn(-c4ccc(Cl)cc4)c(N)c23)cc1OC,0
+CC(C(=O)Nc1sc2c(c1C(N)=O)CCC2)[NH+]1CCN(C(=O)C(C)(C)c2ccccc2)CC1,0
+OCC1CCCN(c2nc3cc4c(cc3cc2C[NH2+]Cc2ccccc2C(F)(F)F)OCO4)C1,0
+CC(c1ccc(S(N)(=O)=O)cc1)[NH+](CC(=O)Nc1ccc(F)cc1)CC(=O)Nc1ccc(F)cc1,0
+O=C(NCc1ccc(N2CCCC2)[nH+]c1)NCC(O)c1ccc2ccccc2c1,0
+CCOc1ccccc1CN(C(=S)Nc1ccccc1CC)C1CC(C)(C)[NH2+]C(C)(C)C1,0
+COc1ccc(C(CNC(=O)Nc2ccccc2CC(N)=O)[NH+]2CCCC2)cc1,0
+CC=CC(C(=O)NC(C)(C)CC(C)(C)C)N(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccc(Cl)c1,0
+C[NH+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1ccc(-c2ccc(Br)cc2)o1,0
+CCc1ccccc1NC(=O)c1cc2ccccc2oc1=[NH+]NS(=O)(=O)c1ccc(C)cc1,0
+Cc1cc(C)cc(OCc2nnc(SC(C)C(=O)NC(=O)NC3CCCC3)n2N)c1,0
+CC[NH+](CC)C(CNC(=O)c1nn(C2CCS(=O)(=O)C2)c2c1CCCC2)c1ccccc1Cl,0
+NC(=O)c1c(NC(=S)NC(=O)c2cccc3c(Br)cccc23)sc2c1CCC2,0
+CNC(=O)c1ccc(CNC(=O)NCC(c2ccccc2Cl)[NH+](C)C)cc1,0
+N#CC1=C(N)OC2=c3ccccc3=[NH+]C(=O)C2C1c1ccc(C(F)(F)F)cc1,0
+NCCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2C(N)=O)CC1,1
+CCN1C(SC(C(=O)C2=c3ccccc3=[NH+]C2)c2ccccc2)=NNC1CCC(N)=O,0
+CN1CCC2(CC1)CN(c1ncnc3[nH]ccc13)c1ccccc12,1
+CN(Cc1ccc(Cl)s1)c1ccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1[N+](=O)[O-],0
+Cc1ccc(C(N)=[NH2+])c(Sc2ccc(C(C)(C)C)cc2)n1,0
+COC(=O)c1c(NC(=O)C2CC=CCC2C(=O)[O-])sc(C)c1C,0
+Nc1cc(Br)ccc1SCCCC1CCC[NH2+]1,0
+C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(C(=O)c4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)c2c1,1
+CCOc1ccccc1C(=O)N1CC(C(=O)NCC2CC[NH+](C)C2)C2(CC[NH2+]CC2)C1,0
+CCOc1cccc(C2CC(c3ccc(Cl)cc3)=NC(c3ccc(Cl)cc3)[NH2+]2)c1O,0
+C[NH+](C)CCCn1c(SCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)nc2ccccc2c1=O,0
+Cc1cc(C)cc(C(=O)NCC(=O)NNc2c(F)c(F)c(F)c(F)c2F)c1,0
+O=C1CC(C(=O)Nc2ccc(Cl)cc2)[NH+]=C(Nc2nc3ccccc3s2)N1,0
+Fc1cc(Br)ccc1CSc1nnc(C2=c3ccccc3=[NH+]C2)n1-c1ccc(Cl)cc1,0
+CCC(=O)Nc1ccc(C(C)[NH2+]C(C)C(=O)Nc2ccc(Cl)cc2F)cc1,0
+CC1(C)Cc2c(sc3nc(N4CC[NH+](CCc5ccccc5)CC4)n(CC(=O)N4CCCC4)c(=O)c23)CO1,0
+C[NH+]1CCN(Cc2ccc(CNC(=O)Nc3ccccc3CC(N)=O)cc2)CC1,0
+CCOC(=O)c1c(NC(=O)C(C)[NH+]2CCC(C(N)=O)CC2)sc2c1CCC(C)C2,0
+CC(C)[NH+]1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3)c2C(N)=O)C1,0
+NC1(c2ccc(-c3nc4ccc(-c5cn[nH]c5)cn4c3-c3ccccc3)cc2)CCC1,1
+C[NH+]1CCN(c2nc3c(c(Oc4ccccc4F)n2)CN(S(=O)(=O)c2cccc(Cl)c2)CC3)CC1,0
+CCn1nc(C(=O)NNC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2ccccc2c1=O,0
+CC[NH+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccc(Br)c(C)c2)C1,0
+COc1ccc(C2=NC(c3ccc(F)cc3)[NH2+]C(c3ccccc3O)C2)cc1,0
+COc1c(Br)cc(Br)cc1C([NH3+])CCO,0
+O=C(NCCc1ccccc1Cl)C1C[NH2+]CC1C(=O)NCC1CCCO1,0
+CC([NH2+]CC(=O)NC(=O)Nc1ccccc1F)c1ccc(Cl)cc1,0
+CCCCCCNC(=O)C1CN(C(=O)c2ccc(C(F)(F)F)cc2)CC12CC[NH2+]CC2,0
+O=C(NCc1cccs1)c1ccc(CN2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)[nH]c1=O,0
+NC1(c2ccc(-c3nn4c(Br)cnc4cc3-c3ccccc3)cc2)CCC1,1
+CC(C)CC([NH3+])C(=O)NN=Cc1cc(Br)cc(Br)c1O,0
+C[NH+](C)CC(O)COc1ccc(S(=O)(=O)c2ccc(OCC(O)C[NH+](C)C)cc2)cc1,0
+CC1CCCN(C(=O)C2Cc3ccccc3CN2C(=O)c2ccco2)C1,0
+CC([NH2+]C1CCCNC1=O)(C(=O)[O-])c1ccc(F)c(Br)c1,0
+NS(=O)(=O)c1ccc(NC(=O)CC[NH+]2CCc3sccc3C2c2cccs2)cc1,0
+CNc1c(-c2ccccc2)c(-c2ccc(CN3CC(c4n[nH]c(-c5ccccn5)n4)C3)cc2)nc2nc(-c3ccccn3)nn12,1
+CC(=O)Nc1ccc(S(=O)(=O)N=C2N=c3ccccc3=[NH+]C2Nc2ccc(C(=O)O)cc2)cc1,0
+CSCC1OC(N2CN=C3C(=O)N=CN=C32)C(O)C1O,0
+COC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)CC2C=c3ccc(C)cc3=[NH+]C2=O)cc1,0
+CCCn1c(SC(c2cc(Br)cs2)C([NH3+])CC)n[nH]c1=O,0
+CC[NH+](CC)CCNC(C#N)c1cc(Br)c(O)c(OC)c1,0
+COc1ccc(OC)c(NC(=O)C2=C(C)NC(=S)NC2c2ccc(OCc3ccccc3)cc2)c1,0
+[NH3+]CC(=O)NCC(=O)Nc1ccc(I)cc1Cl,0
+CC1CCCCC1[NH+](C)CC(=O)Nc1ccc(N)cc1Br,0
+NC(COc1cncc(-c2ccc3[nH]ncc3c2)c1)Cc1c[nH]c2ccccc12,1
+CCOc1ccccc1CCNC(=O)C1CN(C(=O)Cc2ccccc2C)CC12CC[NH2+]CC2,0
+CC(C)Oc1ccc(C2=NOC(C3C(=O)[NH+]=c4cc(F)ccc4=C3O)N2)cc1,0
+Cn1ncc(Cl)c1-c1cc(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CCNCC2)oc1Cl,1
+O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)Nc1ccccc1OC(F)F,0
+COc1cc(C[NH2+]CC(C)O)cc(Br)c1OCC(O)c1ccc2c(c1)OCCO2,0
+CNC(=O)C(C)NC(=O)C1CN(C(=O)c2ccccc2OC(C)=O)CC12CC[NH2+]CC2,0
+CCC(C)C(=O)N1CC(C(=O)NCC[NH+](C)C)C2(CC[NH2+]CC2)C1,0
+NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)CCCn2c(=O)[nH]c3ccsc3c2=O)CC1,0
+CCC[NH2+]C(C)c1cc(Br)ccc1OCC(=O)NCC#N,0
+COc1ccc2cc(-c3nc4ccccc4[nH]3)c(=[NH+]c3cccc(C(N)=O)c3)oc2c1,0
+Cc1ccccc1NC(=O)C1C(=O)CC(C)(O)C(C(=O)Nc2ccccc2C)C1c1cccc2ccccc12,0
+Cc1ccc(CNc2nc(C[NH+](CCO)C3CS(=O)(=O)CC3O)nc3ccccc23)cc1,0
+CNC(=O)Cc1ccccc1NC(=O)NCC(c1cccs1)[NH+](C)C,0
+Cc1ccc(NC(=[NH2+])Nc2nc(CSc3nnnn3-c3ccccc3)cc(=O)[nH]2)cc1C,0
+C[NH+]1CCCC(CNS(=O)(=O)c2cc(Cl)cc(N)c2Br)C1,0
+CC(=O)Nc1nc2ccc(-c3ccnc(NS(=O)(=O)c4ccc(C)cc4)n3)cc2s1,1
+NS(=O)(=O)c1ccc(CCNC(=O)C2CCCCC2C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1,0
+CC(C)(C)OC(=O)NNC([NH3+])=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1,0
+COc1ccc2c(c1)OC1(CC[NH+](CC(=O)Nc3ccccc3Sc3ccccc3)CC1)CC2=O,0
+CCC(C)[NH+](C)CCNC(=O)NCc1ccc(C2(C)NC(=O)NC2=O)cc1,0
+CCC(C)[NH2+]C(CC)(C(N)=O)c1ccc(Br)cc1,0
+CC(C(=O)Nc1sc2c(c1C(N)=O)CCC2)[NH+]1CCC(Cc2ccccc2)CC1,0
+c1ccc2c(c1)Nc1ncccc1-n1c(-c3ccc(CN4CCCC4)cc3)nnc1-2,1
+CC(C(=O)Nc1ccccc1C(N)=S)[NH+](C)C1CCSC1,0
+CCC[NH2+]C(C)(CSc1ccc(Br)cc1)C(N)=O,0
+NC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2-c2ccc(Cl)cc2)cc1,0
+CC1CC(C)CN(C(C[NH3+])c2cc(Br)ccc2O)C1,0
+C#CC[NH+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1ccc(C)cc1,0
+O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)C1C=c2ccccc2=[NH+]C1=O,0
+CCC[NH+](CCC)CCNC(=O)c1ccc2c(c1)=[NH+]C(=O)C(c1ccccc1NC(C)=O)[NH+]=2,0
+CC(=O)Nc1cn2nc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)ccc2n1,1
+Cc1c(OCC(N)Cc2c[nH]c3ccccc23)cncc1-c1ccc2cnccc2c1,1
+O=C(CSC1[NH+]=c2ccccc2=[NH+]1)NNC(=S)NC1CCCCC1,0
+C=CC[NH+](CC=C)C(CNC(=O)Nc1cc(NC(C)=O)ccc1Cl)C(C)C,0
+CCCCOc1ccc(C2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)cc1OCC,0
+Cc1ccccc1C(C(=O)NC(C)(C)CC(C)(C)C)N(C)C(=O)C(O)(c1ccccc1)c1ccccc1,0
+O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCC(C(F)(F)F)CC2)cn1,1
+CCCCN(C(=O)C[NH+](C)Cc1ccc2ccccc2c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,0
+CC(C)CC(=O)N1CCN(c2nc3c(c(=O)[nH]2)CC[NH2+]CC3)CC1,0
+CC(Cc1ccc(O)cc1)NC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1,0
+[NH3+]C1CCCC(C(=O)N2CCC(CO)CC2)C1,0
+CCOc1ccc(CC(=O)Nc2sc3c(c2C(N)=O)CC[NH+](CC)C3)cc1,0
+CCCN(C(=O)C([NH3+])CCSC)C(C)c1ccccc1Br,0
+CCOc1ccc(C=c2sc3n(c2=O)C(N)=C(C(=O)OC)C(c2ccc(OCC)cc2)C=3C#N)cc1,0
+CCOc1ccccc1NC(=O)C(=O)NCC(c1cccn1C)[NH+]1CCc2ccccc2C1,0
+Cc1ccc(Nc2nc(C(=O)NCCC3=c4ccccc4=[NH+]C3)cs2)cc1,0
+O=C([O-])CSc1nnc(NC(=O)c2cc3c(s2)CCC3)s1,0
+O=C(Nc1cccc(Br)c1)C1CCCN(C(=O)C2C=c3ccccc3=[NH+]2)C1,0
+CCc1ccccc1Nc1nc(N)nc(CN(c2ccccc2OC)S(=O)(=O)c2cccs2)n1,0
+NS(=O)(=O)c1ccc(NC(=O)CC[NH+]2CCCC(C(F)(F)F)C2)cc1,0
+NC(=O)Cn1ccn2nc(-c3ccc(Cl)cc3)cc2c1=O,0
+COc1cccc(C(=O)NNS(=O)(=O)c2cccc(C#N)c2)c1O,0
+CCCCNC(=O)C(c1cccc(O)c1)N(C(=O)C(c1ccccc1)c1ccccc1)c1cccc(Cl)c1,0
+NC(=O)c1c(NC(=O)C[NH+]2CCN(S(=O)(=O)c3cccs3)CC2)sc2c1CCC2,0
+Nc1cc[nH+]c(N2CCN(c3nccs3)CC2)c1,0
+CN1CNN=C1SCc1ccc(C(=O)NNC(=O)CC2=c3ccccc3=[NH+]C2)cc1,0
+CN(Cc1ccoc1)C(C[NH3+])c1cccc(Cl)c1Cl,0
+NC(CNc1ncc(-c2ccc3c(c2)CNC3=O)s1)Cc1ccc(C(F)(F)F)cc1,1
+CC(C)[NH+](CCNC(=O)NNC(=O)COc1ccc(C#N)cc1)C(C)C,0
+C[NH+]1CCC(CNC(=O)C2CN(C(=O)c3ccc(-c4ccccc4)o3)CC23CC[NH2+]CC3)C1,0
+Cc1sc2nc(N3CC[NH+](CC(=O)NCc4ccccc4)CC3)n(CCc3ccccc3)c(=O)c2c1C,0
+NC(=O)CC([NH3+])c1cc([N+](=O)[O-])ccc1OCc1cc(Cl)cc2c1OCOC2,0
+Cc1cccc(C(C)C)c1NC(=O)NCC1CCC[NH+](Cc2cccs2)C1,0
+Cc1ccc(C(=O)NCCNC(=O)NC(C)Cn2cc[nH+]c2)cc1F,0
+Cc1cc(C(Nc2cccc[nH+]2)c2ccc(Br)cc2)c(NC(=O)c2ccco2)s1,0
+COCC(O)CN(C)c1c(N)c[nH+]c2ccc(Br)cc12,0
+CC(NC(=O)NCC(c1ccccc1Cl)[NH+](C)C)C(=O)NCc1ccco1,0
+COCC(=O)Nc1cccc(CNC(=O)NCC(C)(C)[NH+]2CCCC(C)C2)c1,0
+C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1sc2ncccc2c1N,0
+CC(C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[NH+](CC(=O)Nc2ccccc2Cl)CC1,0
+Cc1[nH]c(=NS(=O)(=O)c2ccc(CC[NH3+])cc2)sc1C,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)c2ccc3ccccc3n2)CC12CC[NH2+]CC2,0
+O=C(C[NH2+]CCN1CCOCC1)Nc1sc2c(c1C(=O)Nc1ccccc1Cl)CCC2,0
+O=C(CNC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1cccc(Br)c1,0
+CC(C(=O)Nc1ccccc1Sc1ccc(Cl)cc1)[NH+](C)CC(N)=O,0
+NS(=O)(=O)c1ccc(NC(=O)COC(=O)C2CCN(c3ccc(C(F)(F)F)c[nH+]3)CC2)cc1,0
+Cc1ccc(C(CNC(=O)C(=O)NCCC2=c3ccccc3=[NH+]C2)N2CC[NH+](C)CC2)cc1,0
+C=CCNC(=O)NC(=O)C(C)[NH+]1CCC(CNC(C)=O)CC1,0
+CC([NH3+])C(c1cc(Br)cs1)N(C)Cc1cc(Br)cs1,0
+CC(=O)Nc1sc2c(c1C(=O)OC(C)C(=O)Nc1sc3c(c1C(N)=O)CCC3)CCCC2,0
+CC(C)CN(C(=O)CN1CCN(c2cccc[nH+]2)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,0
+Nc1ncnc(N2CCC(c3nc(-c4ccnc(C(F)(F)F)c4)cn3CCN3CCC3)CC2)c1Cl,1
+COC(=O)c1cccc(-c2cnc3cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nn23)c1,1
+CCCCc1c(-c2ccc(Br)cc2)c(C(N)=O)c(C)n1CC[NH+]1CCCCC1,0
+CNS(=O)(=O)c1cccc(C(C)NC(=O)NCc2ccc[nH+]c2N(C)C)c1,0
+CC(C)n1cc[nH+]c(N2CCCN(CCC[NH3+])CC2)c1=O,0
+O=C(CC([NH2+]C(CO)(CO)CO)c1ccccc1)c1cc2ccccc2oc1=O,0
+CC[NH+](CC)CCN(C(=O)C1CCCN1S(=O)(=O)c1ccc(F)cc1)c1nc2c(C)c(C)ccc2s1,0
+C=Cc1ncc(OCC(N)Cc2c[nH]c3ccccc23)cc1-c1ccc2cnccc2c1,1
+COc1cc(Oc2nc(Oc3cccc(C(=O)N(C)C)c3)c(F)c(C)c2F)cc(C(N)=[NH2+])c1,0
+CCC(=O)Nc1ccc(C(C)NC(=O)NC(C)C[NH+]2CCCC(C)C2)cc1,0
+CC1[NH+]=c2ccc(F)cc2=C1CCNC(=S)Nc1ccc(OC(F)(F)F)cc1,0
+Cc1ccc(N2N=CC3C([NH2+]Cc4cc5ccccc5[nH]4)CCCC32)cc1C,0
+CCOC(=O)C([NH3+])Cc1cc(I)c(O)c(OC)c1,0
+O=C([O-])C1CC1C(=O)NC1CCC(O)CC1,0
+COc1cccc(NC(=S)NNC(=O)c2cccc(NS(=O)(=O)c3ccc(C)c(F)c3)c2)c1,0
+CC(C)Oc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN(C)C)CC1,1
+Cc1ccc(C2=NN(C(=[NH2+])SC3CC(=O)N(c4ccc(F)cc4)C3=O)C(c3ccc(Cl)cc3)C2)cc1,0
+N#Cc1c(NC=C2C(=O)NC(=S)NC2=O)sc2c1CCCCC2,0
+CC(C)([NH3+])CC(=O)NC(CCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1,0
+CC1Cc2c(F)cccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)n1C,1
+CCN(c1cccc(C)c1)c1nc[nH+]c(Nc2cc(Cl)c(OC)cc2OC)c1N,0
+CC(C)c1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN2CCC2)CC1,1
+CN(C)c1nc(-c2ccc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2)c(-c2ccccc2)cc1C#N,1
+Cc1c(NCCN2CCCC2)cc(Cl)cc1N1CCN(c2ncnc3[nH]nc(Br)c23)CC1,1
+COc1cc2ncc3c(N)nc(-c4cncc(OCC(N)Cc5cccc(C(F)(F)F)c5)c4)cc3c2cc1OC,1
+CC1CN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC(C)O1,1
+CNC(=O)C1CCCN1C(c1ccccc1Br)C(C)[NH3+],0
+NC(=O)C1CCCC[NH+]1CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1,0
+CCCCC(C)C(=O)N1CC(C(=O)NCc2cccc(C)c2C)C2(CC[NH2+]CC2)C1,0
+CC(=O)c1cccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C=Cc3ccco3)C2)c1,0
+CC[NH+]1CCCC(NC(=O)N2CCN(CC(=O)NC(C)C)CC2)C1,0
+NCCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc21,1
+COCCNC(=O)CC1OC(C[NH2+]Cc2ccccn2)C(O)C1O,0
+COc1cc(OC)nc(NC(=O)COC(=O)c2sc3[nH+]c(C)cc(C)c3c2N)n1,0
+Oc1ccc(C2CSC(=[NH+]C3CC3)N2N=CC2=c3ccccc3=[NH+]C2)c(O)c1,0
+NC(=O)C([NH2+]Cc1cccs1)c1ccc(Br)cc1,0
+Cc1cn2cc(-c3ccccc3)c(-c3ccc(CN4CCC(c5cnc6ccccc6n5)CC4)cc3)nc2n1,1
+CC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)Nc1ccc(Br)cc1Cl)C2=O,0
+O=C([O-])C([NH2+]CC1CCCO1)c1cc(Br)ccc1F,0
+O=C(c1ccc(Cl)c(N2C(=O)CCS2(=O)=O)c1)N1CCN(c2cccc[nH+]2)CC1,0
+CCc1ccc(NC(=S)NC2CC3CCC(C2)[NH+]3Cc2cccs2)cc1,0
+COc1cc(OC)c(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1Cl,0
+CC(C)(N)c1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,1
+Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl,1
+NC(=O)c1ccc(NC(=O)CCC2=c3cc(F)ccc3=[NH+]C2c2ccc(F)cc2)cc1,0
+N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2C2CCNC2)CC1,1
+Cc1ccc(NC(=O)c2c(C(=O)Nc3cc(Cl)cc(Cl)c3)sc3nc(=O)c(C)nn23)cc1C,0
+CC1CC(C)C[NH+](Cc2ccccc2CNC(=O)C(NC(N)=O)C(C)C)C1,0
+CCc1nnc(NC(=O)c2c(C)oc3nc[nH]c(=O)c23)s1,0
+CCC(C)(C)NC(=O)C(C)[NH2+]C1CCCc2sccc21,0
+Clc1ccc(C(NC2CCCCC2)c2ccc(-c3cn[nH]c3)cc2)cc1,1
+Cc1cc(C)cc(OCC[NH+](C)CC(=O)NCC(=O)Nc2cccc(Cl)c2C)c1,0
+COC1C[NH2+]C(C(=O)Nc2ccc(S(N)(=O)=O)cc2Br)C1,0
+O=C(CC1=c2ccccc2=[NH+]C1)NNC(=O)CN1C(=O)NC2(CCCC2)C1=O,0
+c1ccc(CNc2cc(-c3c[nH]c4ncccc34)ncn2)cc1,1
+CC(C)NC(=O)NC1(C(N)=NO)CCCCCC1,0
+COc1cc(Br)cc(C[NH2+]CCC[NH2+]CCO)c1OCc1ccccc1,0
+Cc1ccc(-n2nc(C)c(C=Nc3cccc(N=Cc4c(C)nn(-c5ccc(C)cc5)c4O)[nH+]3)c2O)cc1,0
+CC(Cc1ccc(F)cc1)NC(=O)C1CN(C(=O)CCc2ccccc2)CC12CC[NH2+]CC2,0
+O=C(NC1CCCCC1)C1CSCC(c2ccc(C(F)(F)F)cc2)[NH2+]1,0
+Cc1cc(S(=O)(=O)NCC(c2ccc(N(C)C)cc2)[NH+]2CCCC2)c(C)cc1Cl,0
+CC[NH+](CC)CCCNS(=O)(=O)c1cc(Cl)cc(N)c1Br,0
+CCOC(=O)C1CCN(C(=O)C2Cc3cc(C(F)(F)F)ccc3N3CC[NH+](C4CCCC4)CC23)CC1,0
+CCC(SC1=NC2[NH+]=c3ccccc3=C2N=N1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,0
+CCc1cc(-c2ccc(OC)cc2)c(C#N)c(=S)n1C1OC(CO)C(O)C(O)C1O,0
+NS(=O)(=O)c1cc(F)cc(NC(=O)C2CC2c2ccccc2F)c1,0
+COc1cc2ncc3c(N)nc(-c4cncc(OCC(N)Cc5ccc(F)cc5)c4)cc3c2cc1OC,1
+Cc1c(Cl)cccc1NC(=O)C(C)[NH+]1CCC(CC(N)=O)CC1,0
+NC(COc1cncc(-c2ccc(F)cc2)c1)Cc1c[nH]c2ccccc12,1
+NC1(COCc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,1
+O=C(NC1CCCCC1)C(c1ccccc1O)N(Cc1ccco1)C(=O)c1c(O)cccc1O,0
+C=Cc1ncc(OCC(N)Cc2c[nH]c3ccccc23)cc1-c1ccc2cnccc2c1,1
+O=C(Nc1ccc(-c2ccncc2)cc1)C1COc2ccccc2O1,1
+C[NH+](C)C(CNC(=O)Nc1ccc(NC(=O)c2ccco2)cc1)c1ccsc1,0
+CC1(C)CC(NC(=S)Nc2cccc3ccccc23)CC(C)(C)[NH2+]1,0
+NC(=O)C(NC(=O)NCC1CCC[NH+]1CC1CCCCC1)c1ccccc1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1ccc(F)c(Br)c1,1
+NC(=[NH2+])Sc1cn(CC(=O)N2CCCCC2)c2ccccc12,0
+[NH2+]=C(NC1CC1)SCc1nc2scc(-c3cccs3)c2c(=O)[nH]1,0
+CC1CC[NH+](CC(O)CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1,0
+O=C(Nc1ccc(-n2cncn2)cc1C(F)(F)F)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1,0
+CCC(N)C(c1cc(Br)cs1)[NH+]1CCCC(O)C1,0
+CCOC(=O)C1=C(C[NH+](C)CC(=O)Nc2ccccc2Cl)NC(=O)NC1c1ccc(Cl)cc1,0
+Nc1c(Cl)cc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)cc1Cl,0
+CC(C(=O)[O-])(c1ccc(Br)cc1)[NH+]1CCCC([NH3+])C1,0
+CC(C)C([NH2+]CC(=O)N1CC(C(N)=O)Oc2ccccc21)c1cccs1,0
+NC(Cc1ccccc1)C(=O)N1CCN(c2ncnc3ccccc23)CC1,1
+Cn1nnnc1SCCC[NH2+]Cc1cc(Br)ccc1OCC(=O)NC(C)(C)C,0
+Cc1c(C#N)c(NC(=O)C[NH+](C)Cc2nc3ccccc3c(=O)[nH]2)n(-c2cccc(F)c2)c1C,0
+CCC[NH+]1CCC(N(C)C(=O)NC(C)c2cccc(S(N)(=O)=O)c2)CC1,0
+Oc1ccc(SSc2ccc(O)c(C=[NH+]Cc3ccccc3)c2)cc1C=[NH+]Cc1ccccc1,0
+CCC(C1NN=C(SC(C)C(=O)C2=c3ccccc3=[NH+]C2C)N1c1ccc(OC)cc1)[NH+](C)C,0
+COc1cc2ncc3c(N)nc(-c4cncc(OCC(C)N)c4)cc3c2cc1OC,1
+CCC1COC(C)CN1C(=O)c1cc([N+](=O)[O-])ccc1I,0
+CC1=C(C#N)C(=O)N(CCC2=c3ccccc3=[NH+]C2)C(=O)C1=CNc1ccc(S(N)(=O)=O)cc1,0
+CC(C)(c1ccc(Br)cc1)C(O)Nc1cc[nH+]c2ccccc12,0
+NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,1
+COc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OCC(N)=O,0
+CC(C)C(Sc1nnc(C(C)[NH+](C)C)n1-c1ccc(Cl)cc1)C(=O)NC(N)=O,0
+O=C(C[NH+]1CCCC1c1ccc2c(c1)OCCO2)Nc1cc2[nH]c(=O)[nH]c2cc1Br,0
+CCC([NH3+])C(c1cc(Br)cs1)N1CCC(CO)CC1,0
+O=C(COc1ccc(Cl)cc1)NNC(=O)CSC1[NH+]=c2ccccc2=[NH+]1,0
+CC([NH2+]Cc1cccs1)(C(N)=O)c1cccc(Br)c1,0
+CCOc1ccc(C(=O)N2CC(C(=O)NCCc3ccccc3OCC)C3(CC[NH2+]CC3)C2)cc1,0
+C[NH+]1CCN(Cc2cccc(-c3nc(CC(=O)NC(C)(C)CC(C)(C)C)cs3)c2)CC1,0
+C[NH+](C)Cc1cccc(CNC(=O)NCC2(O)CCCc3ccccc32)c1,0
+Cc1ccc(C(=O)NC(=Cc2cccs2)C(=O)NCCC2=c3ccccc3=[NH+]C2)cc1,0
+Nc1ncnc(N2CCC(c3nc(-c4ccc(O)c(C(F)(F)F)c4)cn3CCN3CCCC3)CC2)c1Cl,1
+NC(=O)c1ccccc1NC(=O)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1,0
+CCn1c(-c2nonc2N)nc2c(C#CC3CC3)ncc(OCCCN)c21,1
+Cc1ccc(C(C)[NH2+]Cc2cccc(S(N)(=O)=O)c2)s1,0
+CCC(CC)(CNC(=O)C(=O)Nc1ccccc1Br)[NH+](C)C,0
+CCn1c(-c2nonc2N)nc2c(-c3ccoc3)ncc(OCCCN)c21,1
+Cc1ccc(NC(=O)N2CCc3[nH+]c(N4CCN(c5ccc(F)cc5)CC4)nc(N(C)C)c3C2)cc1,0
+COC(=O)C1=C(CS(=O)(=O)c2ccc(C)cc2C)NC(=O)NC1c1ccc(O)c(OC)c1,0
+CCC[NH2+]C(C)c1ccc(N(CCCO)C(C)C)c(Br)c1,0
+CN(Cc1cnn(C)c1)c1ccc(N)c2c[nH+]ccc12,0
+O=C(NC(c1ccc(Cl)c(Cl)c1)C1CCCCC1)c1ccc2cnccc2c1,1
+[NH3+]CC(c1cc(Br)c2c(c1)OCCO2)N1CCCOCC1,0
+C[NH+](Cc1cc(Br)cs1)Cc1ccc(C(N)=NO)cc1F,0
+CCC(=O)Nc1ccc(C(C)[NH2+]C(C)C(=O)Nc2ccc(F)cc2Cl)cc1,0
+CC(=O)N(CCC(C)C)C1NC(C)=C(C(=O)NC2[NH+]=c3ccccc3=[NH+]2)S1,0
+NC(=O)c1cccc(C[NH2+]Cc2cc(Br)cs2)c1,0
+O=C(NCC(O)c1ccc(F)cc1)Nc1ccccc1C[NH+]1CCSCC1,0
+CC(C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[NH+]1CCC(CC(N)=O)CC1,0
+Cc1ccccc1OCC(=O)Nc1sc2c(c1C(N)=O)CC[NH+](C)C2,0
+Cc1c(C)c(C)c(S(=O)(=O)Oc2ccc(C([NH3+])CC(N)=O)cc2)c(C)c1C,0
+c1ccc(-c2cn3ccnc3nc2-c2ccc(CN3CCC(c4nc5ccncc5[nH]4)CC3)cc2)cc1,1
+CC(NC(=O)CSc1nnc(C(C)[NH+](C)C)n1-c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1,0
+COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccc(CSC)c2)c1,0
+CC[NH+](CC)CCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2C1c1ccc(C(C)(C)C)cc1,0
+COc1ccc(OC)c(C=CC(=O)C(=Cc2cc(Br)c(O)c(OC)c2)C(=O)C=Cc2cc(OC)ccc2OC)c1,1
+COc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1Br,0
+CCOC(=O)c1ccc([NH+]=c2oc3c(C)ncc(CO)c3cc2C(=O)Nc2cc(Cl)ccc2OC)cc1,0
+CC1CC(C)C[NH+](CC(=O)Nc2c(N)cc(Cl)cc2Cl)C1,0
+COc1cc2c(cc1OC)C(c1ccccc1)[NH+](CC(=O)Nc1sccc1C(N)=O)CC2,0
+CCOc1cc(C[NH2+]C(C)C(C)(C)C)c(Br)cc1OCC(N)=O,0
+CC[NH+](CC)Cc1c(O)ccc2c(=O)c(Oc3cc(C)ccc3C)c(C(F)(F)F)oc12,0
+CC(NC(=O)C1C[NH2+]CC1C(=O)NCC1CCCO1)c1cccc2ccccc12,0
+CNC(=O)c1nn(CC2CCCCC2)c2c1CC([NH2+]CC1(O)CCCCC1)CC2,0
+O=C(CNC(=O)C1C[NH2+]CC1C(=O)NC1CCCc2ccccc21)c1ccccc1,0
+NS(=O)(=O)c1ccc(NC(=O)CC[NH+]2CCc3sccc3C2)cc1,0
+CC[NH+]1CCc2c(sc(-n3cccc3)c2C(C)NC(=O)Nc2ccc(F)cc2)C1,0
+C=CCn1nc(C(=O)N2CCCCCC2)c2c1CCC([NH2+]CCc1ccc(S(N)(=O)=O)cc1)C2,0
+O=C(NC1CC1)C(Sc1nc2ccccc2c(=O)n1CCC1=CCCCC1)c1ccccc1,0
+CC[NH+](CC)C(CNC(=O)C(C)(C)NC(=O)NC)c1ccccc1Cl,0
+[NH3+]CC#Cc1cc(F)ccc1S(=O)(=O)NCCC(F)(F)F,0
+CC(C)(N)c1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1,1
+OCc1cnn2cc(-c3c(F)cccc3F)c(-c3ccc(CN4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)nc12,1
+O=C(NC(Nc1cccc[nH+]1)C(Cl)(Cl)Cl)c1ccccc1Cl,0
+O=C(Nc1ccccc1Cl)C(=Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1Br,0
+CN(C)C(=O)N1CCC(C(=O)NN=C2CC3CCC2(C)C3(C)C)CC1,0
+CC(C)NC(=O)C(=Cc1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1,0
+CC[NH+]1CCc2c(sc(NC(=O)C3CCCCN3S(=O)(=O)c3cccs3)c2C(N)=O)C1,0
+NC1(c2ccc(-c3nc4ccc5nnc(C6NCNN6)n5c4cc3-c3ccccc3)cc2)CC(O)(C2CC2)C1,1
+Cc1cccc(NC(=O)CCC2CN(C(C)C)CCC2[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1,0
+Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)c[nH]3)CC2)c1-c1ccc(F)cc1,1
+COc1cccc(C(=O)N2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)c1,1
+CC(C)[NH+](CC(N)=O)CC(=O)Nc1ccc(Br)cc1Cl,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)c4ccccc4)c3)cc12,1
+Cc1ccc2[nH]c(C=CC(=O)c3c(-c4ccccc4)c4cc(Cl)ccc4[nH]c3=O)nc2c1,1
+Nc1ncccc1-c1nc2cc(-c3cccnc3)cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,1
+O=C(NCCC1=c2cc(Cl)ccc2=[NH+]C1)C1=CNN2C(C(F)F)=CC(c3ccccc3)=NC12,0
+CC(=O)Nc1sc2c(c1C(c1ccccc1Cl)[NH+]1CCN(c3ccccc3)CC1)CCCC2,0
+NC1(c2ccc(-c3nc4c5cc(-c6ccn[nH]6)ccc5nn4cc3-c3ccccc3)cc2)CCC1,1
+CNC(=O)NC(=O)C(C)[NH2+]C1(CO)CCC(C)CC1,0
+CCOC(=O)C1C(NC(=O)CSC2=c3ccccc3=[NH+]C2)SC2CCCCCC21,0
+CCOc1ccc2ccccc2c1C1N=C(O)c2c(sc3c2CC[NH+](C)C3)N1,0
+O=C(NC(CO)c1cc(Cl)cc(Cl)c1)c1ccc(-c2ccncc2)cc1,1
+CCC([NH3+])C(c1cccc(Br)c1)N1CCCC1CCCO,0
+CCOC(=O)N1CCc2c(sc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)c2C#N)C1,0
+CCOc1ccccc1NC(=O)Cn1[nH+]c(NC)c(-c2nc(-c3ccc(Cl)cc3)no2)c1N,0
+CCCOc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2n1,1
+NC(CNc1nnc(-c2ccc3cnccc3c2)s1)Cc1ccc(C(F)(F)F)cc1,1
+NC(=O)C1Cc2ccccc2C[NH+]1CCC(=O)Nc1cccc(Cl)c1,0
+NC1(c2ccc(-c3nc4cc(C(=O)O)ccn4c3-c3ccccc3)cc2)CCC1,1
+NC(COc1cncc(-c2ccc(NC(=O)Nc3ccccc3)cn2)c1)Cc1c[nH]c2ccccc12,1
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12,1
+CCOc1ccc(CSCCNC(=[NH2+])NC(N)=[NH2+])cc1Cl,0
+Cc1ccsc1C[NH+](C)CC(=O)Nc1ccccc1SCC(N)=O,0
+CCC(=C(c1ccc(O)cc1)c1ccc(OCC[NH2+]C)cc1)c1ccc(O)cc1,0
+CCOc1ccc(Oc2cc(NC(=O)C(=S)Nc3ccc(Br)cc3)cc([N+](=O)[O-])c2)cc1,0
+NC1=[NH+]c2nc3cc4c(cc3n2C(c2ccc(OC(F)F)cc2OC(F)F)N1)OCCCO4,0
+OCCNCc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3ccn12,1
+CCC([NH2+]C(C)c1cccc(Br)c1)c1cc(Br)ccc1O,0
+CC1CCCC[NH+]1C(C)CNC(=O)CCCCC1SCC2NC(=O)NC21,0
+CC[NH+]1CCNC(=O)C1CC(=O)NCC(=O)NC(c1ccccc1)c1ccccc1,0
+O=C1NC2(CCCC2)C(=O)N1CCC[NH2+]Cc1cccc(Br)c1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCOc2ccccc21,1
+CCOC(=O)C1=C(C[NH+]2CCCN(C(=O)NC(C)(C)C)CC2)N(C)C(=O)NC1c1ccccc1Cl,0
+COc1ccccc1C=C1c2ccccc2C(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21,0
+CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc(C)o2)cc1,0
+O=C(NCCC1=c2cc(Cl)ccc2=[NH+]C1)C1CCN(C2Nc3cccnc3S2)CC1,0
+CCC([NH3+])C(c1ccc(Br)s1)N(C)Cc1ccc(C)cc1,0
+Cc1ccsc1-c1nnc(C2CCCO2)o1,0
+COc1ccc(Cn2c(C)cc3c(c2=O)C(c2cccc(Cl)c2Cl)C(C#N)=C(N)O3)cc1,0
+NC(CCc1cc(-c2ccc3cnccc3c2)no1)Cc1ccc(C(F)(F)F)cc1,1
+Nc1cccc(-c2cn(CC3CC4CC[NH+]3CC4C(=O)NC3CCCCC3)nn2)c1,0
+CSCCC(NC(=O)C1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc(C(C)C)cc1,0
+CCOc1cc(C[NH2+]C)cc(I)c1OCC(=O)NCc1ccccc1,0
+Cn1ncc(Cl)c1-c1ccc(C(=O)NC2CNCCC2c2ccc(F)c(F)c2)cn1,1
+COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)C[NH2+]C2CCCC(C)C2C)cc(OC)c1,0
+CC(CCSc1ccc(F)c(F)c1)([NH2+]C1CC1)C(N)=O,0
+COc1cc2c(c(OC)c1OC)-c1ccc(NCCO)c(=O)cc1C([NH3+])CC2,0
+[NH3+]Cc1cn(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nn1,0
+Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CC(=O)Nc2ccccc2)cc1,1
+Cc1ccc(S(=O)(=O)NC(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)C(C)C)cc1,0
+O=C(CSC1NNC(c2cccc([N+](=O)[O-])c2)N1c1ccccc1)NN=CC1=c2ccccc2=[NH+]C1,0
+Cc1csc(C(O)(CC(=O)NCC(c2cccc(Cl)c2)[NH+]2CCCC2)C(F)(F)F)n1,0
+S=P1(NCc2ccccc2)Nc2[nH+]c3n(c2C(NCc2ccccc2)=[NH+]1)CCC3,0
+O=C(C=Cc1nc2cc(F)ccc2[nH]1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O,1
+Cc1cc2c(c(C)c1N1CC[NH2+]CC1)NCC(C)O2,0
+CC1CCCC([NH3+])C1C(=O)N1CCCCC1CO,0
+NC(=O)C[NH+]1CCCC(NCc2cc(Br)c3c(c2)OCCCO3)C1,0
+Cc1c(Cl)cccc1NC(=O)CNC(=O)C[NH+](C)Cc1ccc(C(F)(F)F)cc1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1ccc(F)c(F)c1,1
+CCCC(C)C(=O)N1CC(C(=O)NCc2ccccc2Br)C2(CC[NH2+]CC2)C1,0
+O=C(C[NH+]1CCN(Cc2ccc[nH]c2=O)CC1)Nc1ccccc1Nc1ccccc1,0
+OC(C[NH2+]CC(O)C1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1,0
+CCOC(=O)c1c(NC(=O)COc2ccccc2C(N)=O)sc2c1CC(C)(C)[NH2+]C2(C)C,0
+O=C(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccco1,1
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2cc(F)c(F)cc21,1
+CC(C)(C)c1cc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4C(N)=O)CC3)n2)ccn1,1
+NC(=O)NC(CC1=c2ccccc2=[NH+]C1)C(=O)Nc1ccc(SC2CCCC2)cc1,0
+CC[NH+](CC)CCNC(=O)C1CN(C(=O)c2cc(Cl)c(OC)c(Cl)c2)CC12CC[NH2+]CC2,0
+CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(N)=O)c3)cn2CCN2CCC2)CC1,1
+COc1cc(C=CC(=O)NCc2ccc[nH+]c2N(C)C)ccc1OCC(N)=O,0
+O=c1ccc(-c2nnc(C3CCN(Cc4ccc(-c5nc6nc(N7CCN(CCO)CC7)ncc6cc5-c5ccccc5)cc4)CC3)[nH]2)c[nH]1,1
+CC(C)C1C(=O)NCC[NH+]1CC(=O)Nc1ccccc1SC(F)F,0
+CC(c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC(=O)Nc1ccccc1Sc1ccccc1,0
+Cc1cc(C)c(NC(=O)C[NH+](C)Cc2cc(=O)oc3cc(O)c(O)cc23)c(C)c1,0
+CC(C)(CNC(=O)NCc1nnc2n1CCC2)[NH+]1CCc2ccccc2C1,0
+CC(C)(C)NC(=O)NC(=O)CSC1NN=C(C2=c3ccccc3=[NH+]C2)N1C1CC1,0
+NC(=O)c1ccc(C[NH+](CC(=O)N2CCc3sccc3C2c2cccs2)C2CC2)cc1,0
+CCc1c[nH]c2ncnc(N3CCN(C(=O)C(N)Cc4ccc(Cl)cc4)CC3)c12,1
+CCOc1ccc(NCc2nnc(SCC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)n2-c2ccccc2)cc1,0
+C[NH+](CCC(=O)Nc1c(Cl)cccc1Cl)CC(=O)Nc1ccccc1Cl,0
+Cc1ccc(C(CNC(=O)NNC(=O)c2sccc2C)[NH+]2CCCC2)o1,0
+CC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1CC2CC3CC(C2)CC1C3,0
+CC(C)(C)NC(=O)COc1ccc(Br)cc1C[NH2+]CCNc1ccc([N+](=O)[O-])cc1Cl,0
+CC[NH+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC1COc2ccccc2O1,0
+OC(CSc1nc(-c2ccccc2F)n[nH]1)C[NH+]1CCc2ccccc2C1,0
+O=C(CNC(=O)N1CCC2=c3ccccc3=[NH+]C2C1)NCc1cccnc1,0
+CC(=O)c1ccc(NC(=O)C[NH2+]CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1,0
+CC(c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC(=O)Nc1ccccc1-c1ccccc1,0
+CN1CCCc2cc(C(CNC(=O)Nc3ccccc3C(F)(F)F)[NH+]3CCCCC3)ccc21,0
+Cn1c(CC(=O)Nc2ccc(F)c(C(F)F)c2)nc(N2CCOCC2)cc1=O,1
+COc1ccc(NC2[NH+]=C3C=C(c4ccc(OC)c(OC)c4)NN3S2)cc1Cl,0
+Cc1[nH+]c(SCC(=O)Nc2ccccc2SCC(N)=O)n(C2CCCCC2)c1C,0
+CC1(C)CN(C(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c2cccc(Cl)c21,1
+CN(C)c1ccc(C(CNC(=O)CC(NC(N)=O)c2ccccc2F)C2=c3ccccc3=[NH+]C2)cc1,0
+COc1cc(C=Cc2cncc(OCC(N)Cc3c[nH]c4ccccc34)c2)ccn1,1
+CC1(C)CC(Nc2ncnc(NC34CC5CC(CC(C5)C3)C4)c2[N+](=O)[O-])CC(C)(C)[NH2+]1,0
+CCC(C)NC(=O)c1ccc(NC(=O)C[NH2+]CCC2=CCCCC2)cc1,0
+Cc1ccc2ccc(C(Nc3cccc(C)[nH+]3)c3cccc(F)c3)c(O)c2n1,0
+CCOC(=O)C1=C(C)NC2=C(C(=O)C(C(=O)OC)C(C)C2)C1c1cc(OC)c(OC)cc1Br,0
+CC(C(=O)Nc1sc2c(c1C(N)=O)CCC2)[NH+]1CCN(Cc2nc3ccccc3s2)CC1,0
+C=CC(C)(O)C[NH+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC(C)C,0
+O=C(NCC1CCCO1)NNC(=O)C1CCCCC1,0
+Clc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1Cl,1
+CC(C)C(CNC(C(N)=O)c1ccc(F)cc1)[NH+]1CCc2ccccc2C1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cccc2ocnc12,1
+CCc1ccc(C[NH2+]CC(O)CN2CCc3ccccc3C2)s1,0
+CC(C)(C)c1ccc(C(=O)NN2C(=O)NC(C)(c3ccco3)C2=O)cc1,0
+C=Cc1n[nH]c2cnc(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12,1
+CC(C)[NH+]1CCC(Nc2ccc(S(N)(=O)=O)cc2Br)C1,0
+CCOc1ccc(C2(C[NH2+]C(C)C(=O)NC(N)=O)CCOCC2)cc1,0
+COc1ccc(C2CCCCC[NH+]2CC(=O)Nc2c(Cl)cc(S(N)(=O)=O)cc2Cl)cc1,0
+O=C1c2cc(-c3[nH]c(-c4ccc(O)c(O)c4)[nH+]c3-c3ccccc3)ccc2-c2ccc([N+](=O)[O-])cc21,0
+CCc1ccc(N)cc1S(=O)(=O)NCC1CCC[NH+](C)C1,0
+O=S(=O)(N=C1[NH+]=c2ccccc2=[NH+]C1Nc1ccc(Br)cc1F)c1ccc(F)cc1,0
+CC(NC(=O)C(=O)NCCC1=c2ccccc2=[NH+]C1)C(c1cccs1)N1CCN(c2ccccc2)CC1,0
+COc1ccc(Cl)cc1NC(=O)c1cc2c(CO)cnc(C)c2oc1=[NH+]c1ccc(C)cc1,0
+Nc1c2c(-c3ccc4c(c3)OCO4)nc(NCC[NH+]3CCCCC3)nc2nn1-c1ccc(Cl)cc1,0
+Nc1ncnc(N2CCC(c3nc(-c4ccc(F)cc4)cn3CCN3CCCC3)CC2)c1C1CCC1,1
+CC(C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC(CC(N)=O)CC1,0
+Cc1ccc(S(=O)(=O)NCCNC(=O)NCC(c2cccs2)[NH+]2CCCC2)cc1,0
+CC(C)COC(=O)c1ccc(Nc2ncnc(NNC(=O)Cc3ccc([N+](=O)[O-])cc3)c2[N+](=O)[O-])cc1,0
+COCC[NH+]1CCC(CNC(=O)NCC2(O)CCCc3ccccc32)C1,0
+CCOC(=O)C1=C(C[NH+]2CCCN(C(=O)c3ccco3)CC2)N(CC)C(=O)NC1c1ccc(Cl)cc1,0
+CC[NH+]1CCc2c(sc(NC(=S)NC(=O)c3c(Cl)cnn3C)c2C(N)=O)C1,0
+COc1cc(NC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)ccc1NS(C)(=O)=O,0
+CCC([NH2+]C(CC(C)C)C(=O)NC)c1cc(Br)ccc1O,0
+O=C([O-])c1ccccc1C=NNS(=O)(=O)c1ccc(F)cc1,0
+CC1CC[NH+](C(CNC(=O)CC(NC(N)=O)c2cccs2)C(C)C)CC1,0
+CCCOc1ccc(Br)cc1C1NC(=[NH2+])Nc2nc3ccccc3n21,0
+[NH2+]=C(Nc1ccc(Cl)cc1)NN1CCCc2ccccc21,0
+CNc1c(-c2ccccc2)c(-c2ccc(CN3CC(c4n[nH]c(-c5cccc(C)n5)n4)C3)cc2)nc2nc(C)nn12,1
+CC[NH+]1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3)c2C(N)=O)C1,0
+NC(COc1cncc(-c2ccc(NC(=O)Nc3ccccc3)nc2)c1)Cc1c[nH]c2ccccc12,1
+Cc1cc(C)nc(N=C(NCCC2=c3cc(Cl)ccc3=[NH+]C2)NC(=S)Nc2ccccc2C)n1,0
+CC(NC(=O)COC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)c1ccc(Br)cc1,0
+Cc1cc(C)c(NC(=O)CNC(=O)NCC[NH+](C)Cc2ccccc2)c(C)c1,0
+CC[NH+](CC)CCNC(=O)C(=O)NCC(c1ccc(N(C)C)cc1)N1CC[NH+](C)CC1,0
+CCOC(=O)C1=C(CSc2nn(-c3ccccc3)c(=S)s2)NC(=O)NC1c1cc(C)ccc1C,0
+NC(=O)c1cccc(CNC(=O)NCC(c2ccco2)[NH+]2CCCCC2)c1,0
+CC(C)n1c(SC(C[NH3+])c2ccc(Br)s2)n[nH]c1=O,0
+CCC(C)CC(=O)N1CC(C(=O)NCC(C)(C)C[NH+](C)C)C2(CC[NH2+]CC2)C1,0
+CC(C)(C)NC(=O)COc1ccc(Br)cc1C[NH2+]CCNc1ccc([N+](=O)[O-])cc1,0
+O=S(=O)(CCC1CCCC[NH2+]1)NC1CCCc2sccc21,0
+Cc1ccc(S(N)(=O)=O)cc1NC1CC(C)[NH+](C)CC1C,0
+CSCCC(=O)N1CC(C(=O)NCCC[NH+]2CCCCC2C)C2(CC[NH2+]CC2)C1,0
+Cc1ccc(C=C2Sc3ccccc3N(CC(=O)NCC[NH+](Cc3ccccc3)C(C)C)C2=O)cc1,0
+C[NH+](Cc1cc(Br)cs1)CC(O)COc1ccccc1N,0
+CCOc1ccc(C=NNC(=O)CCCSc2nnc(-c3ccccc3Br)n2N)cc1,0
+CCC[NH+]1Cc2cccc(NC(C)C(=O)NC(=O)NCc3cccs3)c2C1,0
+Cc1ccc(NC(=O)CN(Cc2ccccc2)c2nc(Cc3ccc(F)cc3)ns2)cc1,0
+CC(C[NH+]1CCCC1)NS(=O)(=O)c1c(N)cc(Br)cc1Br,0
+O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1Cc1cc(=O)n2ccccc2n1,0
+Nc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+Clc1ccc(C(NC2CC2)c2ccc(-c3ncnc4[nH]cnc34)cc2)cc1,1
+C[NH+]1CCC(CNS(=O)(=O)c2ccc(Br)cc2N)CC1,0
+COc1cccc(CCNC(=O)C2C[NH2+]CC2C(=O)NC2CCCc3ccccc32)c1,0
+CC([NH3+])C1CCCCN1C1C(=O)Nc2c(Br)cccc21,0
+Cc1ccc(SCC(=O)NNC(=O)NCc2cccc(C[NH+](C)C)c2)cc1,0
+Nc1c(N(Cc2ccccc2)c2ccccn2)nc[nH+]c1Nc1ccccc1C(F)(F)F,0
+NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccc(-c5ccccc5)cc3-4)cc2)CCC1,1
+CC(C)S(=O)(=O)C1=CC2CC3COP(=O)(Cc4ccccc4)N[NH+]3CC2C=C1Cc1ccccc1,0
+CC[NH+](CC)CCCC(C)NC(=O)c1cc(Br)cnc1N,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4ccccc4Br)c3)cc12,1
+COC(=O)c1ccc(Oc2c(C(F)(F)F)oc3c(C[NH+](CC(C)C)CC(C)C)c(O)ccc3c2=O)cc1,0
+COc1c(F)ccc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1F,1
+Clc1ccc2nc(CCNCc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)[nH]c2c1,1
+CCC([NH2+]Cc1cc(Br)c(O)c(OC)c1)c1cccs1,0
+NC1(c2ccc(-c3ncc4cnccc4c3-c3ccccc3)cc2)CCC1,1
+C=CCn1c(SCc2ccc(Br)cc2)nnc(Nc2ccccc2CC)c1=O,0
+CC(C)[NH+]1CCC(CNS(=O)(=O)c2ccc(N)cc2F)C1,0
+COc1ccc(-c2nc(CSc3nnc(-c4ccc(OC(F)F)cc4)n3N)cs2)c(OC)c1,0
+Cc1cc(-c2cn(CCN(C)C(C)C)c(C3CCN(c4ncnc(N)c4C#N)CC3)n2)ccc1F,1
+O=C(C[NH2+]Cc1cccs1)Nc1ccc(Cl)c(C(F)(F)F)c1,0
+Cc1cc(Br)ccc1NC(=O)C(C)[NH+](C)CC(=O)NC(C)(C)C,0
+CC[NH+](CC)C(CNC(=O)NNC(=O)c1ccc(COc2ccccc2)o1)c1ccsc1,0
+Cc1ccc(OCC[NH+](C)CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1,0
+COc1ccccc1CC(=O)NNC(=O)NCC(C(C)C)[NH+]1CCCCCC1,0
+CC(C)CC(NC(N)=O)C(=O)NCC(c1ccco1)[NH+]1CCCCC1,0
+Cc1ccc(C)c(NC(=S)NC2CC3CCCC(C2)[NH+]3CC(C)C)c1,0
+CCC1COC(C)CN1Cc1nc(NN)c2ccsc2n1,0
+CCC(C)CNC(=O)C1CSC2(CCN(C(=O)Nc3cccc(Br)c3)CC2)[NH2+]1,0
+CC[NH+](CC)C(CNC(=O)C(=O)Nc1sccc1C(N)=O)CC(C)C,0
+CC(OC(=O)c1c[nH+]c2ccccc2c1N)C(=O)Nc1cccc(Cl)c1Cl,0
+Cc1cc(C2(C)NC(=O)N(CCOCC[NH3+])C2=O)ccc1Cl,0
+Cc1ccc2nc(C(C)NC(=O)C3CN(C(=O)c4cc(C)oc4C(F)(F)F)CC34CC[NH2+]CC4)[nH]c2c1,0
+NC(=O)C([NH2+]Cc1cccc(COCc2ccccc2)c1)c1ccc(F)cc1,0
+NC(=O)COc1ccc(NC(=O)NCC(c2cccs2)[NH+]2CCCC2)cc1,0
+CCOc1cc(C(=O)Nc2sc3c(c2C#N)CCC(C(C)(C)C)C3)ccc1OC(F)F,0
+Cc1cc(C)c2c(N)c(C(=O)OCC(=O)NC(=O)c3ccc(OC(F)F)cc3)sc2[nH+]1,0
+CC1CCCC(NC(=O)CN2CC[NH+](CCCS(N)(=O)=O)CC2)C1,0
+CNC(=O)Nc1ccc(CNc2c(C(=O)Nc3ccc(SC(F)(F)F)cc3)cnn2C)cn1,1
+CCOc1cccc(C2CC(c3ccc(Cl)cc3)=NC(c3ccc(C)cc3C)[NH2+]2)c1O,0
+NC(=S)N[NH+]=c1oc2ccc(Br)cc2cc1C(=O)Nc1ccc(Br)cc1,0
+CCCOc1ccc(C(=O)NC(=S)Nc2sc(C)c(C)c2C(N)=O)cc1Br,0
+C[NH+](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1cccc(Cl)c1Cl,0
+Cl.Cn1nccc1-c1cc(F)c(C(=O)NC2CNCCC2c2ccc(F)cc2)c(F)c1,1
+CC(C)CC([NH3+])C(O)c1cc(Cl)c2c(c1)OCCCO2,0
+NC(=O)c1ccc2c(c1)CCOC2CC[NH+]1CC=C(C2=c3ccc(Cl)c(Cl)c3=[NH+]C2)CC1,0
+CC1=C(C(N)=O)C(c2ccc(C#N)cc2)C(C(N)=O)=C(C)N1,0
+NC(COc1cncc(-c2cc3c(-c4ccco4)n[nH]c3cn2)c1)Cc1ccccc1,1
+CC(C)(C)c1cc(C=NNC(=O)C[NH+]2CCSCC2)cc(C(C)(C)C)c1O,0
+CCc1ccc(C(C)NC(=O)C2CN(C(=O)c3cccc(Br)c3)CC23CC[NH2+]CC3)cc1,0
+CC1CC(C(N)=O)c2ccccc2N1C(=O)CCc1cccs1,0
+CSc1nc2nc(-c3ccc(CN4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)c(-c3ccccc3)cn2n1,1
+CC(=O)NCc1ccc(C(=O)NCC(C(C)C)[NH+]2CCC(C)CC2)s1,0
+CCCCCCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C(C(=O)NCCCC)c1c(O)cc(O)cc1O,0
+C[NH+](C)Cc1cc(CNC2CCC(=O)NC2c2ccccc2F)ccc1O,0
+CNc1snc(C)c1C(=O)Nc1ccc(N2CCNC(=O)C2)nc1,0
+CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C2[NH+]=c3ccccc3=[NH+]2)cc1,0
+COc1cccc(CNC(=O)NC2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)c1,1
+O=C1CCC(C(=O)N2CCC3=c4ccccc4=[NH+]C3C2)CN1CCN1CCOCC1,0
+COc1ccc([NH+]=c2oc3ccc(Cl)cc3cc2S(=O)(=O)c2ccc(C)cc2)cc1OC,0
+NC1(c2ccc(-c3nc4cc(-c5nn[nH]n5)ccn4c3-c3ccccc3)cc2)CCC1,1
+COc1ccc(CNC2CC3C(=O)NCC(CCC(=O)NCc4ccc(F)cc4)[NH+]3C2)cc1,0
+CCCN(C(=O)c1c(O)cccc1O)C(C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccccc1C,0
+CC(C)(C)c1cc(C(c2ccc(O)cc2)[NH+]2CCOCC2)cc(C(C)(C)C)c1O,0
+CNS(=O)(=O)c1ccc(CNC(=O)NCC(c2cccs2)[NH+]2CCCC2)cc1,0
+CC(O)CNc1[nH+]c2ccccc2n1CC(=O)NC(C)c1ccc2ccccc2c1,0
+COc1cc(C2C3[NH+]=c4ccccc4=C3CC3C(=O)N(CCC4=CCCCC4)CC(=O)N32)cc(OC)c1OC,0
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccnc(F)c3)cc2)c1,1
+CCCCC(C)C(=O)N1CC(C(=O)NCCc2ccc(C)c(C)c2)C2(CC[NH2+]CC2)C1,0
+CCC(N)C(c1ccc(Br)s1)[NH+]1CCCC1C(=O)NC,0
+CCOC(=O)N1CCC(NCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+Cc1cc(Br)ccc1NC(=O)C(C)[NH+]1CCN(C(=O)c2ccco2)CC1,0
+CCC(C)C(NC1=NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(N2CCCC2)[nH+]c1,0
+Cc1nc2sc3c(c2c(=O)n1CC(=O)N1CCCCC1)CCC(C)C3,0
+CC1CCCCC1(NC(=O)NCC1CCCC1)C(=O)[O-],0
+CCCNC(=O)c1cccc(C[NH2+]Cc2cccc(OCC)c2O)c1,0
+CC(C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[NH+]1CCCC(O)C1,0
+CCCCCC=CC(=O)N(Cc1ccc(C)o1)C(C(=O)NC(C)(C)C)c1c(O)cc(O)cc1O,0
+Cc1[nH]n(C(C)C2CC2)c2[nH+]c(-c3ccccc3OCC(N)=O)nc1-2,0
+CC(C)(C)NC(=O)N1CC[NH+](CCN(CC2=CCC3CC2C3(C)C)C(=O)Nc2cccc(Cl)c2)CC1,0
+CCOc1cc(C[NH2+]CC[NH2+]CCO)cc(Br)c1OCc1ccc(C)cc1,0
+NS(=O)(=O)c1cc2c(cc1Cl)NC(c1ccccc1Br)NS2(=O)=O,0
+Cc1c(Cl)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1Br,1
+Cc1cc(-c2csc(NC(=O)CCn3c(=O)oc4cc(S(N)(=O)=O)ccc43)n2)c(C)s1,0
+NC(=S)c1ccc(NCC[NH+]2CCCC2)cc1C(F)(F)F,0
+C[NH+](CCCNC(=O)CCCCC1SCC2NC(=O)NC21)Cc1ccccc1,0
+CCC(CO)[NH2+]Cc1cc(Br)ccc1OCC(=O)NC(C)(C)C,0
+CCn1c(CC(=O)Nc2ccc(F)cc2)nc(N2CCOCC2)cc1=O,1
+CC(NC(=O)C1CCC(CNC(=O)C2Cc3ccccc3C[NH2+]2)CC1)c1ccccc1,0
+CC(c1ccccc1Cl)N(C)c1ccc(C(N)=[NH2+])c(Cl)c1,0
+CCc1cc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4C#N)CC3)n2)ccn1,1
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccco2)C(=O)N3)c1)Cc1ccccc1,1
+NC(=[NH2+])c1cc(Oc2cc(Cl)c(Cl)cc2Cl)ccn1,0
+NC(=O)c1cc2c(-c3ccccc3)cncc2s1,1
+CCCSc1nc2n(n1)C(c1ccc(OC(C)C)c(OC)c1)C(C(=O)Nc1ccccc1C)=C(C)N2,0
+Cc1cccc(C)c1NC(=O)C[NH+]1CCN(C(=O)CCCCC2SCC3NC(=O)NC32)CC1,0
+OCC1OC(Sc2nc3ccccc3n2CCCOc2ccccc2Cl)C(O)C(O)C1O,0
+C[NH+](CCCNC(=O)NCC1(O)CCCc2ccccc21)CC(F)(F)F,0
+CCC1(C)NC(=O)N(NC(=O)C[NH+]2CCN(c3nccs3)CC2)C1=O,0
+O=C1C(=NNc2nc(Nc3ccccc3)[nH+]c(Nc3ccccc3)n2)c2cccc3cccc1c23,0
+CC[NH+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(C)c1cccc(OC)c1,0
+CCC(CC)(C[NH3+])NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O,0
+NC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN2CCC2)CC1,1
+COc1cc(OC)cc(N2C3CCC2CC([NH3+])C3)c1,0
+[NH3+]CCCCCC(=O)NCCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1,0
+CCn1c(N2CC[NH+](CC)CC2)c(C=C2SC(=S)N(C(C)c3ccccc3)C2=O)c(C)c(C#N)c1=O,0
+Cc1cccc(C)c1OCC(O)C[NH2+]Cc1ccc(Br)s1,0
+CC1(C)CC2CC(C)(C[NH+]2CC(=O)Nc2ccc(N)cc2Cl)C1,0
+CN(Cc1cc(Br)cs1)C(C[NH3+])c1ccc(Br)s1,0
+CC1CN(c2cc(=O)[nH]c(CC(=O)N3c4ccccc4CC3C)n2)CCO1,1
+OC(C[NH+]1CCC(C(O)c2ccc(Cl)cc2)CC1)c1ccc(F)c(F)c1,0
+C[NH+](CC(=O)Nc1ccccc1Br)CC(=O)Nc1ccccc1C(=O)NCc1ccco1,0
+CC(C)CNC(=O)NC(=O)CSC1NN=C(C2=c3ccccc3=[NH+]C2)N1C1CC1,0
+Cc1cc(Br)c(NC(=O)C[NH2+]CCCNc2ccc([N+](=O)[O-])cc2)c(Br)c1,0
+NC(COc1cncc(-c2ccc3cnc(Cl)cc3c2)c1)Cc1c[nH]c2ccccc12,1
+COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(C(C)[NH+](C)C)n1-c1ccc(Cl)cc1,0
+CC(c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC(=O)Nc1ccc(C(F)(F)F)cc1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CC2(CC2)c2ccccc21,1
+CCn1c(-c2nonc2N)nc2cncc(C(=O)N3CCC(N)C3)c21,1
+CN1CCCc2cc(C(CNC(=O)Nc3ccc(Cl)c(Cl)c3)[NH+]3CCCC3)ccc21,0
+CN(C)CCNc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(c5nnc(-c6ccccn6)[nH]5)CC4)cc3)nc2n1,1
+Cc1cc(C)c(NC(=O)C[NH+](C)CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)c(C)c1,0
+CCC(c1nnc(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)n1-c1ccc(OC)cc1)[NH+](C)C,0
+C=CC[NH+](CC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O)Cc1ccc(OC)cc1,0
+CCC(C)CC(=O)N1CC(C(=O)NC(C)CCCC(C)(C)O)C2(CC[NH2+]CC2)C1,0
+O=C(C=Cc1nc2cc(F)c(F)cc2[nH]1)c1c(-c2ccc(F)cc2)c2cc(Cl)ccc2[nH]c1=O,1
+COc1ccc(C[NH2+]CCN2CCCCC2=O)c(OCC(O)CN2CC[NH+](C)CC2)c1,0
+COc1ccc(C2N=C(c3ccc(C)cc3)CC(c3cc(Cl)ccc3O)[NH2+]2)cc1Br,0
+CC[NH+](CC)CCNC(=O)c1cc(NC(=O)Nc2ccc(OC)cc2OC)ccc1N(C)C,0
+C[NH+](C)Cc1cccc(CNC(=O)NCC(O)c2ccc(F)c(F)c2)c1,0
+NC(=O)CCC1NC2(C(=O)Nc3ccccc32)C2C(=O)N(c3ccccc3C(F)(F)F)C(=O)C12,0
+CC1CCC2C(CCCN2C(=O)C2CCS(=O)(=O)C2)C1,0
+Cc1occc1-c1nc(N)c(OCC(N)Cc2c(C(N)=O)[nH]c3ccccc23)cc1-c1cnc2[nH]nc(C)c2n1,1
+C[NH+](CCOc1ccccc1C(N)=S)Cc1csc(Br)c1,0
+CC1=C2C(=O)N=C(CSC3=NNNN3C(C)C)N=C2SC1C(=O)Nc1ccc(C)cc1C,0
+COc1cc(OC)c(C2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)cc1OC,0
+CC(Cn1cc[nH+]c1)NC(=O)NCC1(O)CCCc2ccccc21,0
+NC(COc1cncc(-c2cc3cn[nH]c3cc2[N+](=O)[O-])c1)Cc1c[nH]c2ccccc12,1
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CN(C)CCc4cn[nH]c4)cc3)nc2n1,1
+CC(C)[NH+]1CCC(CNS(=O)(=O)N2CC[NH2+]CC2)C1,0
+O=S(=O)(NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1)c1cccc(F)c1,1
+C[NH+](C)Cc1ccccc1CNC(=O)C1CCCCN1S(=O)(=O)c1ccc(Br)cc1,0
+CC[NH+]1CCC(CNS(=O)(=O)c2ccc(Br)cc2N)CC1,0
+Cc1ccc(OCC[NH+](C)C(C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1,0
+O=C1C(C([O-])=NC2[NH+]=c3ccccc3=[NH+]2)C(O)c2cccc3c2N1CC3,0
+O=C(NC(c1ccc(Cl)c(Cl)c1)C1CCNCC1)c1ccc2cnc(Cl)cc2c1,1
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4cccc(F)c4)c3)cc12,1
+Cc1c(C(N)=O)sc(NC(=O)C[NH+]2CCN(C(=O)C3CCCO3)CC2)c1C(=O)OC(C)C,0
+Cc1ccc(NC(=O)CSc2nc(N)cc(N)n2)c(C)c1,0
+CC(=O)Nc1cc(C[NH2+]C(C)CCc2ccc(O)cc2)cc(C(=O)N2CCCC2)c1,0
+Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)CC2)c1,0
+CCOc1ccc(CCNC(=O)C2CN(C(=O)c3ccc(OCC)cc3)CC23CC[NH2+]CC3)cc1,0
+Cc1ccc(C=CC(=O)NC(=S)Nc2ccc(S(=O)(=O)NC(N)=[NH2+])cc2)cc1,0
+Cc1ccc(C(C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)c2c(O)cccc2O)c(C)c1,0
+CCc1c(N)ncnc1N1CCC(c2nc(-c3cccc(Cl)c3)cn2CCN2CCC2)CC1,1
+CC1(C)OC2CC(=O)OC2C2=C1C(=O)c1ccccc1C2=O,1
+CC(C)[NH+]1CCC(CNC(=O)NNC(=O)Cc2ccccc2F)C1,0
+CCN(C(=O)c1ccc(NCC(=O)Nc2ccc(I)cc2)cc1)c1ccccc1,0
+O=C(NCCc1cccs1)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1,0
+Cc1nn(CCCC(C)([NH2+]C(C)C)C(N)=O)c(C)c1Br,0
+CCOc1cc(CCNC(=O)C2CN(C(=O)C3CC=CCC3)CC23CC[NH2+]CC3)ccc1OC,0
+CC(C)C(Sc1nnc(C(C)[NH+](C)C)n1-c1ccc(Cl)cc1)C(=O)NC(N)=O,0
+COc1ccc(CNC(=S)NCC(C2=c3ccccc3=[NH+]C2)c2cccs2)cc1,0
+CCC[NH+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1ccc(C(N)=O)cc1[N+](=O)[O-],0
+CCC(=O)Nc1ccc(C(C)[NH2+]C(C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1,0
+Cc1cccc(N2CCN(C(C(C)[NH3+])C(F)(F)F)CC2)c1,0
+Nc1cc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CCN3CCCCC3)CC2)ncn1,1
+CCCCC(C)C(=O)N1CC(C(=O)NCc2cc3ccccc3[nH]2)C2(CC[NH2+]CC2)C1,0
+NC(=O)c1c(NC(=O)COC(=O)C2CCCCC2C(=O)N2CCc3ccccc32)sc2c1CCC2,0
+COc1cc(C[NH2+]Cc2c(C)nn(-c3ccccc3Cl)c2Cl)ccc1O,0
+CC1CC(C)C[NH+](CC(C)NC(=O)CC(NC(N)=O)c2cccs2)C1,0
+C=CC[NH+]1C(SCc2nc3ccccc3c(=O)[nH]2)NNC1c1cc2cc(Cl)ccc2o1,0
+C[NH2+]C(c1cc2[nH]c(=O)[nH]c2cc1Br)C1CCOCC1,0
+NC(=O)c1ccc(-c2cnc3cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nn23)cc1,1
+Cc1ccc([NH+]=c2oc3c(C)ncc(CO)c3cc2C(N)=O)c(F)c1,0
+CS(=O)(=O)NC1Nc2ccc(C(=O)NCCC3=c4cc(F)ccc4=[NH+]C3)cc2S1,0
+CC([NH2+]C1CCCCNC1=O)c1ccc(I)cc1,0
+CCN(CC)C(=O)C1CCC[NH+](Cc2ccc3c(c2)CN(Cc2ccc(NC(C)=O)s2)CCO3)C1,0
+COc1cc(C2CC(=O)C3=C(C2)Nc2ccccc2NC3c2ccc(C(C)(C)C)cc2)cc(OC)c1OC,0
+COc1ccc(OC)c(CNC(=O)c2cc(N)c(C#N)c(OC(C)C)n2)c1,1
+COc1ccc(CCC(=O)N2CC(C(=O)NCc3cccc(OC)c3OC)C3(CC[NH2+]CC3)C2)cc1,0
+COc1cc(OC)cc(C(=O)N2CC(C(=O)NC(C)c3c(C)n[nH]c3C)C3(CC[NH2+]CC3)C2)c1,0
+OCC[NH+](CCO)CC(O)Cn1c2c(c3cccc(Cl)c31)CCCC2,0
+CC[NH+]1CCc2c(sc(NC(=O)Nc3ccsc3C(=O)OC)c2C(N)=O)C1,0
+CCCCC(C)C(=O)N1CC(C(=O)NC2CCCCCC2)C2(CC[NH2+]CC2)C1,0
+Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCCC(C(=O)Nc2ccc(Br)cc2F)C1,0
+CCN(C(=O)C=Cc1c(C)nn(-c2ccccc2)c1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,0
+CC(C)c1c(C#N)nnn1-c1ccc(Br)cc1,0
+CC(C)C(NC(=O)C1CN(C(=O)c2cc(Cl)ccc2F)CC12CC[NH2+]CC2)C(=O)NC(C)(C)C,0
+NC(=O)C=Cc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+CC(=O)NC(CC1=c2ccccc2=[NH+]C1)C(=O)NNC(=O)c1ccccc1Br,0
+Cc1ccc2c(c1)=[NH+]C(SCc1noc(CCC(=O)Nc3cccc(Cl)c3C)n1)[NH+]=2,0
+NC(=O)C1Cc2ccccc2C[NH+]1Cc1nc2scc(-c3cccs3)c2c(=O)[nH]1,0
+CCOC(=O)c1c(NC(=O)C[NH+](Cc2ccccc2)CC2CCCO2)sc(C(=O)NC)c1C,0
+CCCCC(C)C(=O)N1CC(C(=O)NCC[NH+]2CCCCC2)C2(CC[NH2+]CC2)C1,0
+CC1Cc2ccc(-c3cc(CNC(=O)c4ccc[nH]c4=O)no3)cc2O1,0
+Cc1cc(Br)cc2c1NC(=O)C2NCC(C(C)C)[NH+](C)C,0
+CC(Nc1cccc(N2CCNC2=O)c1)C(=O)N1CCCC1,0
+CC1(C)CC(Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])CC(C)(C)[NH2+]1,0
+O=C(NCCNc1cccc[nH+]1)NC1CCCc2c1cnn2CCO,0
+NC(=[NH2+])c1ccccc1OCc1ccc(Br)cc1,0
+CC(C#N)c1ccc(-n2cnc3cnc4ccc(C#Cc5cccnc5)cc4c32)cc1,1
+CCCCNC(=O)C(c1c(O)cc(O)cc1O)N(C(=O)c1ccccc1)c1cccc(Cl)c1,0
+Cc1ccc(-c2c(C[NH3+])nnn2CC(O)CO)cc1,0
+CCC(C)NS(=O)(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)cc1,0
+CCc1ccc(NC(=O)C(C)N2CC[NH+](CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1,0
+CC1C[NH2+]CCN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-],0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4ccc(Cl)cc4)c3)cc12,1
+CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cccc(F)c3-4)cc2)C1,1
+CCOC(=O)c1ccc(N2C(=O)C3C4CCC[NH+]4C4(C(=O)Nc5c(C)cc(Cl)cc54)C3C2=O)cc1,0
+C[NH+](C)CCCNS(=O)(=O)c1c(N)cc(Br)cc1Br,0
+COc1ccccc1C1CC(=C2C(=O)[NH+]=c3ccc(Cl)cc3=C2c2ccccc2)NN1S(C)(=O)=O,0
+Cn1nnc(C[NH3+])c1-c1ccccc1Br,0
+CCC[NH2+]CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2,0
+Cc1cc(NC(=O)C(=O)Nc2ccc(Br)cc2C)no1,0
+O=C(C=Cc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)NCc1ccc2c(c1)OCO2,0
+CCc1c(N)ncnc1N1CCC(c2nc(-c3ccnc(C(F)(F)F)c3)cn2CCNC)CC1,1
+N#Cc1ccsc1NC(=O)CSc1nnc(Nc2ccc(OC(F)(F)F)cc2)s1,0
+COC(=O)c1ccccc1N(C)c1[nH+]cnc(Nc2ncc(C(F)(F)F)cc2Cl)c1N,0
+Cc1ccc2c(c1)=CC(CNc1ccc(N3CCCCC3)c(CO)c1)C(=O)[NH+]=2,0
+NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,1
+NC(=O)CCN(C(=O)COC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)c1ccc(F)cc1,0
+COc1ccc(C(Nc2cccc[nH+]2)c2c(NC(=O)c3ccccc3)sc(C)c2C)c(OC)c1,0
+Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CC1CCCO1)C3c1ccc(F)cc1,0
+COc1cccc(C(CNC(N)=O)C2=c3ccccc3=[NH+]C2)c1OC,0
+COc1ccccc1CC[NH2+]Cc1cccc(OC)c1OCc1c(F)cccc1Cl,0
+COc1ccc(-c2cc3cnccc3cc2C(=O)NC(c2ccc(Cl)c(Cl)c2)C2CCNCC2)cc1,1
+O=C(CC1C(=O)N(c2ccccc2)C(=S)N1CCc1ccccc1)Nc1ccc(F)cc1,0
+C[NH+]=C(N)NN=C(C)c1ccc2c(c1)Cc1cc(Cl)ccc1-2,0
+Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=S)NC3CCCC(C)C3C)cc12,0
+CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccc(F)cc3-4)cc2)C1,1
+CS(=O)(=O)Nc1ccc(Cl)c(NC(=O)CNC(=O)C[NH3+])c1,0
+CC(C)NC(=O)C1CC(Sc2nc3ccccc3[nH]2)C[NH+]1CC(Cl)=Cc1ccccc1,0
+COCC[NH+](Cc1nc(N)nc(Nc2ccccc2C)n1)Cc1nc2ccccc2c(=O)[nH]1,0
+CCC([NH3+])C(c1cc(Br)cs1)N(CCCO)C(C)C,0
+O=C1NCC(CCC(=O)N2CCc3ccccc32)[NH+]2CC(NC(=S)Nc3ccc(Cl)cc3)CC12,0
+C[NH+](C)C(C)(C)CNS(=O)(=O)c1cc(Br)cnc1N,0
+Cc1ccc(OCC(O)C[NH2+]C(CO)C(O)c2ccc([N+](=O)[O-])cc2)c(C)c1,0
+O=C(Cn1cnc2sc3c(c2c1=O)CCC3)N1CCCCCCC1,0
+Nc1cn2nc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)ccc2n1,1
+CCN(CC)c1ccc(C=[NH+]Cc2ccc(S(N)(=O)=O)cc2)c(O)c1,0
+CC(C(=O)Nc1sc2c(c1C(N)=O)CCC2)[NH+](C)CC(=O)NC(C)(C)C,0
+Cc1c(NC(=O)C(=O)NC(C)C[NH+]2CC(C)CC(C)C2)cccc1C(N)=O,0
+NC(COCc1ccccc1)COc1cncc(C=Cc2ccncc2)c1,1
+Oc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,1
+C[NH+](C)CCCCNC(=O)C1CN(C(=O)c2ccc(Br)cc2)CC12CC[NH2+]CC2,0
+OCCNCC[NH2+]Cc1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12,0
+CC(C)[NH+]1CCNC(=O)C1CC(=O)NCC1(O)C2CC3CC(C2)CC1C3,0
+Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCCC[NH+](C)Cc1ccccc1,0
+CC(C)NC(=O)C1Cc2cc(C(F)(F)F)ccc2N2CCN(c3cccc[nH+]3)CC12,0
+CCOc1ccc(C2=NC(c3ccc(Cl)cc3)[NH2+]C(c3cc(Br)ccc3O)C2)cc1,0
+CC1CCC[NH+](C(C)CNC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1,0
+Cl.Cn1ncc(Cl)c1-c1csc(C(=O)NC2CNCCC2c2ccc(Cl)c(C(F)(F)F)c2)c1,1
+Nc1c(C(=O)NCC2CCCO2)sc2[nH+]c(N3CCCCC3)c3c(c12)CCCC3,0
+CC12C(=O)N(CCCc3ccccc3)CC(=O)N1CC(c1ccc(Cl)cc1)C1=c3ccccc3=[NH+]C12,0
+Cc1ccc(C(C(=O)NCS(=O)(=O)c2ccc(C)cc2)N(C(=O)c2cccc(O)c2O)C(C)(C)C)cc1,0
+C#CCCNC(=O)NC1(C(=O)[O-])C(C)CCCC1C,0
+CC1Cc2c(ccc(F)c2F)N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)n1C,1
+COc1ccc(C(CC[NH3+])N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1,0
+COc1cc(C2CC(=O)NC3=C2C(=O)CC(c2ccc(C(C)(C)C)cc2)C3)cc([N+](=O)[O-])c1[O-],0
+CCC[NH+]1CCN(CCCNC(=S)Nc2ccc3nc(N4CC[NH+](CC)CC4)cc(C)c3c2)CC1,0
+CN(C)C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,1
+CC(C)c1ccc(C([NH2+]CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)c2cccs2)cc1,0
+COc1cc2ncc3c(N)nc(-c4cncc(OCC(N)Cc5cccc(Cl)c5)c4)cc3c2cc1OC,1
+CCn1c(SCC(=O)NNC(=O)COc2ccc(Cl)cc2)nc2cc(S(N)(=O)=O)ccc21,0
+CCOC(=O)c1c(NC(=O)C2CCCC2)sc2c1CC(C)(C)[NH2+]C2(C)C,0
+COC(=O)c1cccc(-c2ccc3nn4cc(-c5ccccc5)c(-c5ccc(C6(N)CCC6)cc5)nc4c3c2)c1,1
+COc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc(I)c1OCC(N)=O,0
+CCCC[NH+](CCCC)CCCNC(=O)c1ccc2c(c1)=[NH+]C(=O)C(c1ccccc1NC(C)=O)[NH+]=2,0
+Cc1cc(C)c(CNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)c(=O)[nH]1,0
+O=C(NC1CCCCC1)C1CCC(CNC(=O)C2Cc3ccccc3C[NH2+]2)CC1,0
+NC(COc1cncc(Nc2cccnc2)c1)Cc1c[nH]c2ccccc12,1
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2ncccc21,1
+COC(=O)C(C)([NH3+])CCCCSc1ccc(Br)cc1,0
+COCCC(=O)N1CC(C(=O)NCCC[NH+]2CCCCC2C)C2(CC[NH2+]CC2)C1,0
+NC(COc1cncc(-c2ccc3[nH]nc(-c4ccccc4)c3c2)c1)Cc1c[nH]c2ccccc12,1
+Cc1c[nH]c2ncnc(Nc3ccccc3-c3nnc[nH]3)c12,1
+CC1Cc2c(Cl)cccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)n1C,1
+CC(Cn1ccc2c(C(=O)[O-])cccc21)C(N)=O,0
+C=C(C)COc1ccc(-c2[nH+]c3ccc(N)cn3c2CN2CC[NH+](C)CC2)cc1,0
+Cc1occc1-c1nc(N)c(OCC(N)Cc2c(C#N)[nH]c3ccccc23)cc1-c1cnc2[nH]nc(C)c2n1,1
+Cc1cc(-c2cn(CC3CNC3)c(C3CCN(c4ncnc(N)c4OCC(F)(F)F)CC3)n2)ccc1F,1
+CC(C(=O)Nc1sccc1C(N)=O)[NH+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1,0
+CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2)sc2c1CC[NH+](C)C2,0
+N#Cc1c[nH]c2ncnc(N3CC4(CCNCC4)c4ccccc43)c12,1
+Cc1cc(C)nc(NC(=NC(=S)Nc2ccccc2Cl)NC2CC(C)(C)[NH2+]C(C)(C)C2)n1,0
+C[NH+](CCCNC(=O)Nc1ccccc1SCC(N)=O)C1CCCCC1,0
+Cc1ccc(OCC(O)C[NH2+]C(C)C2CCCO2)c(Br)c1,0
+NC1(c2ccc(-c3nc4c(-c5ccc(F)cc5)cccn4c3-c3ccccc3)cc2)CCC1,1
+CC[NH+](CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O)Cc1nc2ccccc2c(=O)[nH]1,0
+CCOC(=O)c1c(CSC(N)=[NH2+])nc2n(Cc3ccccc3)c3ccccc3n12,0
+CC(C)C(NC(=O)c1cccc(Cl)c1)C(=O)NN=Cc1cn(Cc2ccccc2Cl)c2ccccc12,0
+C=C1C(C(=O)N2CCCC2)C1C(=O)N1CCCC1,0
+COc1ccc(C(=O)c2sc(Nc3cccc(Br)c3)nc2N)c(OC)c1OC,0
+Cc1c(C)c(C)c(S(=O)(=O)NCC(c2ccc3c(c2)CCCN3C)[NH+](C)C)c(C)c1C,0
+Cc1ccc(C(CNBr)N2CC[NH2+]C(c3ccccc3O)C2)cc1,0
+CC(C(=O)Nc1cccc(Cl)c1Cl)[NH+]1CCCC(C(=O)NC2CC2)C1,0
+NC1(c2ccc(-c3nc4cc(Cl)c(Cl)cn4c3-c3ccccc3)cc2)CCC1,1
+CCCc1ccc(C(C)[NH+](CC(N)=O)CC(=O)Nc2cccc(C#N)c2)cc1,0
+COc1ccc(OC)c(-n2c(O)nc(O)c(C3[NH2+]CCc4c3[nH]c3ccccc43)c2=O)c1,0
+CNC(=O)Cc1ccccc1NC(=O)C(=O)NCC1([NH+](C)C)CCCC1,0
+C[NH+]1CCCCC1CNS(=O)(=O)c1c(Br)cc(N)cc1Br,0
+CCC(NC(=O)CC(C)C)C1c2cc(OC)c(OC)cc2CC[NH+]1Cc1cccc(C)c1,0
+O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,1
+CC(C)C(=O)Nc1cccc(CNC(=O)NCCC[NH2+]C2CCCCC2)c1,0
+NC(=O)C([NH2+]CC1CCCO1)c1cc(Br)c2c(c1)OCO2,0
+O=S(=O)(CC1CCC[NH2+]1)N=c1[nH]c2c(s1)CCCC2,0
+O=C(CSC1N=CC(c2ccc(Br)cc2)=N1)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1,0
+CC(C)N(C)S(=O)(=O)N1CCC[NH+](CCCCC[NH3+])CC1,0
+Cc1ccc2cc(C(c3nnnn3C(C)(C)C)[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)c(=O)[nH]c2c1,0
+C[NH+](CCc1ccccn1)C1C(C[NH2+]Cc2ccc(F)cc2)OC(CO)C1O,0
+CC(NC(=O)NCCc1[nH+]ccn1C)c1ccc2c(c1)OCCO2,0
+CC([NH2+]C(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1F,0
+Nc1cc(F)c(S(=O)(=O)NC2CC[NH+]3CCCC23)c(F)c1,0
+COc1ccc(C(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[NH+]2CCCC2)cc1,0
+Cc1cc(C)c(NC(=O)C[NH+](C)C(C)C(=O)NC(=O)NC2CCCC2)c(C)c1,0
+CCOc1cc(C=NNC(N)=[NH2+])ccc1OCc1ccc(Br)cc1,0
+CC(C(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1)n1cc[nH+]c1,0
+Cc1cccc(NC(=O)N2CCC3(CC2)C(=O)N(CC(=O)NC(C)c2ccccc2)CN3c2ccccc2)c1,0
+CC1CCC[NH+](Cc2csc(=NS(=O)(=O)c3cn[nH]c3)[nH]2)C1,0
+Cc1ccc(NC(=O)C(=O)NCC(c2ccsc2)[NH+]2CCCCCC2)c([N+](=O)[O-])c1,0
+CCCC[NH+]1Cc2cccc(NC(=O)C(=O)NCc3ccccc3C)c2C1,0
+Cc1ccc(NC(=[NH+]N=Cc2cc(Br)ccc2O)c2nc3ccccc3[nH]2)cc1,0
+CC(C)CC(CO)[NH2+]C1C(=O)Nc2c(Br)cc(F)cc21,0
+O=C(CSC1NNC(c2ccccc2)N1c1ccccc1)NN=CC1=c2ccccc2=[NH+]C1,0
+CC1CC[NH+](CC(O)CN2CCC(C(O)c3ccc(Cl)cc3)CC2)CC1,0
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(c5nnc(N)s5)CC4)cc3)nc2n1,1
+N#Cc1c(CCCNC(=O)NCC[NH+]2CCCCC2)nn(-c2ccccc2)c1N,0
+CC(C)(C)CC(C)(C)NC(=O)C(c1c(O)cc(O)cc1O)N(C(=O)c1ccco1)c1ccccc1Cl,0
+CC1(C)C([N+](=O)[O-])C(c2cccc(Br)c2)[NH2+]C(c2cccc(Br)c2)C1[N+](=O)[O-],0
+Cc1c(C(=O)Nc2nc3ccccc3s2)oc2c1C(=NNC(N)=[NH2+])CC(C)(C)C2,0
+CNC(=O)COc1ccccc1C[NH2+]CC1(N(C)C)CCCC(C)C1,0
+COC(=O)c1cc(Cl)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+C[NH+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)c2C(N)=O)C1,0
+CCC(c1nnc(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)n1-c1ccc(OC)cc1)[NH+](C)C,0
+Oc1ccccc1NCC(c1ccc(-c2ccccc2)cc1)N1CC[NH2+]C(O)C1,0
+CC(C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1,0
+CCCOc1c(Br)cc(Br)cc1C[NH2+]CCNCC(C)O,0
+O=c1[nH]ccc2nc(-c3ccc(CN4CCC(c5nnc(-c6cnccn6)[nH]5)CC4)cc3)c(-c3ccccc3)cc12,1
+CC1CCCC[NH+]1C(C)CNC(=O)NNC(=O)CC1CCCCC1,0
+COc1ccc(CCC(=O)N2CC(C(=O)NC(C)c3ccc(C)cc3)C3(CC[NH2+]CC3)C2)cc1,0
+CCOc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCC(N)=O,0
+CCOc1ccc(NC(=O)CSc2nc3n[nH]c(C)c3c(=[NH2+])n2-c2ccc(Br)cc2)cc1,0
+O=C(NCCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)Nc1ccccc1,1
+C[NH+]1CCc2c(sc(NC(=O)COc3ccccc3F)c2C(N)=O)C1,0
+CC1=C(CC(=O)NNC(=O)CC2=c3ccccc3=[NH+]C2)C(C)N(c2ccc(F)cc2)N1,0
+NC(=O)c1ccc(-c2ccc3c(c2)nn2cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nc32)cc1,1
+CC(c1nc2ccccc2c(=O)[nH]1)N(CCCCCC[NH3+])C(=O)CC(C)(C)C,0
+CC1CCCC(CNC(=O)NC(C)c2cccc(S(N)(=O)=O)c2)([NH+](C)C)C1,0
+O=C(NCCNc1ccccc1)C1CN(C(=O)c2ccccc2C(F)(F)F)CC12CC[NH2+]CC2,0
+NC(=O)C1C2=C(CCCC2)SC1NC(=O)CCCC1=c2ccccc2=[NH+]C1,0
+NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccncc3-4)cc2)CCC1,1
+COCCNC(=O)CC1c2nc(NC(=O)C(C)(C)C)sc2CC2C(C)(CO)C(O)CCC12C,0
+C=C1CCCC2(C)CC3OC(=O)C(C[NH+](C)CC(O)C(O)C(O)C(O)CO)C3CC12,0
+Cc1nc(-c2ccc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2)c(-c2ccccc2)[nH]c1=O,1
+NC(COc1cncc(C(=O)Nc2ccncc2)c1)Cc1c[nH]c2ccccc12,1
+Cc1ccsc1C[NH+](C)C(C)C(=O)NC(C)c1ccc(S(N)(=O)=O)cc1,0
+C[NH+](C)C(C)(C)CNC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl,0
+CCC(c1nnnn1C1CCCCC1)[NH+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O,0
+C=C(Br)CNC(=O)CCC1Cc2ccccc2NC1=O,0
+COc1ccc(C[NH2+]Cc2cc(C(C)C)no2)c(OCC(O)CN2CC[NH+](C)CC2)c1,0
+CC1Cc2c(Cl)cccc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)[nH]1,1
+NC(COc1cncc(-c2cc3c(-c4ccccc4)n[nH]c3cn2)c1)Cc1ccccc1,1
+CCOc1ccc(C2(CC)NC(=O)N(CC(C)(C)[NH3+])C2=O)cc1,0
+CCCCn1c(N)c(N(C(=O)CSc2nnc(-c3cccs3)[nH]2)C2CCCC2)c(=O)[nH]c1=O,0
+O=C1CCCN1CCCNCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,1
+CC1(C)CN(c2cccc[n+]2[O-])c2cc(S(=O)(=O)c3ccccc3)ccc2O1,0
+Cn1ncc(Cl)c1-c1cc(C(=O)NC2CNCCC2c2ccc(Cl)c(C(F)(F)F)c2)sc1Cl,1
+COC(=O)c1c(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2N)sc2c1CCC(C)C2,0
+COc1ccc(N2CCN(c3c(S(=O)(=O)c4ccc(Cl)cc4)c[nH+]c4ccc(C)cc34)CC2)cc1,0
+NC(=O)c1cccc(C[NH+](CCOc2ccccc2F)Cc2ccccc2)c1,0
+CC(OC(=O)C(CC1=c2ccccc2=[NH+]C1)NC(=O)OCc1ccccc1)C(N)=O,0
+O=C(c1ccccc1F)N1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+CN(CC(=O)Nc1ccccc1Cl)C(=O)CNc1ccccc1[NH+]1CCC(O)CC1,0
+Fc1ccc(-n2cc(C[NH+](CC3CC[NH+](C4CCCC4)CC3)CC3CCCO3)cn2)cc1,0
+OCC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+CC(=O)Nc1cc(C[NH2+]C(C)CCc2ccc(O)cc2)cc(C(=O)N2CCCC2)c1,0
+O=C(C(NCC(C1=c2ccccc2=[NH+]C1)c1ccccc1)c1ccccc1)N1CCOCC1,0
+COc1cccc(S(=O)(=O)NCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)c1,1
+c1ccc(CNCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)cc1,1
+CCOc1cc(C[NH2+]C)cc(Br)c1OCC(C)C(N)=O,0
+CC(OCC(O)C[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)c1ccc(Cl)cc1,0
+CC(=O)c1cc2c(cc1NC(=O)CN1CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC1)OCO2,0
+Cc1cc(NC(=O)CSc2nc(C34CC5CC(CC(C5)C3)C4)nc3sc4c(c23)CCC(C)C4)no1,0
+CC(OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl,0
+CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)C1=Cc1ccc(Cl)c([N+](=O)[O-])c1,0
+COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc(OC)c1O,0
+Cc1ccc(CCNC(=O)C2C[NH2+]CC2C(=O)NC(C)CCc2ccccc2)cc1,0
+Cc1ccc(C)c(CC(=O)Nc2sc3c(c2C(N)=O)CC[NH+](C)C3)c1,0
+O=C(C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)N1CCOC2CCCCC21,0
+COCCNC(=O)C1C2=C(CCCC2)SC1NC(=O)COC1=CC2[NH+]=c3ccccc3=C2C=C1,0
+Cc1nn(C)c(Cl)c1C=CC(=O)Nc1sccc1C(=O)[O-],0
+[NH3+]CC1CCCN(C2C(=O)Nc3c(Br)cc(F)cc32)C1,0
+CN1C(=O)c2ccc(C(=O)N3CC4CC5CC(C4)CC3C5)cc2C1=O,0
+Cc1cccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)c1C,0
+CC([NH2+]C(C)c1ccc(C(C)(C)C)cc1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O,0
+CSc1ccc(C(C[NH3+])N(C)Cc2cc(Br)cs2)cc1,0
+Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCCC1=c2ccccc2=[NH+]C1,0
+CC(C(=O)Nc1cc(Cl)ccc1N)[NH+]1CCCSCC1,0
+Cc1ccccc1C(Nc1cccc[nH+]1)c1cc(Cl)c2cccnc2c1O,0
+Cc1cccc(C(C)C)c1NC(=O)C(C)Sc1nnc(-c2ccccc2Cl)n1C1CCCC1,0
+CCC([NH2+]C(C)c1cc(C)sc1C)c1cc(Br)ccc1O,0
+CC(C)([NH3+])c1cn(CC2CCCN(C(=O)NC34CC5CC(CC(C5)C3)C4)C2)nn1,0
+CC(C)c1ccc(S(=O)(=O)N2CCC3=c4ccccc4=[NH+]C3C2c2ccc(Cl)cc2)cc1,0
+NCC(C(=O)N1CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,1
+CCC([NH3+])C(Sc1n[nH]c(=O)n1C(C)C)c1cc(Br)cs1,0
+Cc1cc(S(N)(=O)=O)cc(NC(=O)C[NH+]2CCc3sccc3C2C)c1C,0
+Cc1cc2c(cc1C)C(O)CC1(CC[NH+](CC(O)c3ccc(Cl)c(Cl)c3)CC1)O2,0
+CCC(C)NC(=O)c1ccc(NC(=O)NCc2cn3cc(C)ccc3[nH+]2)cc1,0
+S=C(NN=Cc1ccc(I)cc1)NC1C[NH+]2CCC1CC2,0
+O=C(CC[NH+]1CCc2sccc2C1c1ccccc1)N1CCCN(C(=O)c2cccc3ccccc23)CC1,0
+Nn1c(SCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)nnc1-c1cccs1,0
+C=CCOc1cccc(C2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)c1,0
+CC(C)CC(CO)[NH2+]C1C(=O)Nc2cc(Br)ccc21,0
+CCN(CC)CCNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccc(CN4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)nc2c1,1
+Cc1c(F)c(Oc2cccc(C(N)=[NH2+])c2)nc(Oc2cccc(N(C)C)c2)c1F,0
+Cc1ccc(F)cc1CC(N)COc1cncc(-c2cc3c(C)n[nH]c3cn2)c1,1
+O=C([O-])C(C[NH2+]C1CC1)C([NH2+]C1CC1)c1ccc(Cl)c(Cl)c1,0
+CNC(=O)C(C)NC(=O)C1CN(C(=O)c2ccc(-c3ccccc3F)o2)CC12CC[NH2+]CC2,0
+C[NH+](C)CC(C)(C)CNS(=O)(=O)c1c(N)cc(Br)cc1Br,0
+CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1C2C=CC(C2)C1C(=O)[O-],0
+CN1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccc(=O)[nH]c7)[nH]6)CC5)cc4)nc3n2)CC1,1
+Cc1cccc(C(C)(C)C)c1OCCC1[NH2+]C(C(=O)[O-])CS1,0
+Cc1ccc(S(=O)(=O)NCCCNc2nc(CC[NH3+])nc3ccccc23)cc1,0
+O=C1N=CN=C2C1=NCN2C1OC(COP(=O)([O-])OP(=O)([O-])[O-])C(O)C1O,0
+Cc1cccc(N2C(=O)N(c3ccc(Cl)c(Cl)c3)C3CS(=O)(=O)CC32)c1,0
+CC1(C)CC(NC(=O)NCCCc2nnc3n2CCCCC3)CC(C)(C)[NH2+]1,0
+COc1ccc(C)cc1NC(=O)CONC(=[NH2+])CC(=O)Nc1ccccc1OC,0
+C[NH+]1CCC(CNS(=O)(=O)c2cc(Cl)cc(N)c2Br)CC1,0
+CCCCCCCCCCCCc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1,1
+[NH2+]=C(Nc1ccc(I)cc1)NC1C2CC3CC(C2)CC1C3,0
+CC(CC1=c2ccccc2=[NH+]C1)NC(=O)C(C(C)C)N1NNc2ccccc2C1=O,0
+CCN(c1ccccc1)c1[nH+]cnc(Nc2nc3ccc(OC)cc3s2)c1N,0
+Nc1ccccc1C(O)CC[NH+]1CCN(c2ccccc2)CC1,0
+Cc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)NNC(=S)NCCC[NH+](C)C)cc3N2)cc1C,0
+Cc1cccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nnc2C2=c3ccccc3=[NH+]C2)c1,0
+CCC(=NN=C1NC(=O)C(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)S1)c1ccc(OC)cc1,0
+O=C(C=Cc1nc2cc(Br)ccc2[nH]1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O,1
+CC(C)[NH+](CC(=O)Nc1c(Cl)cc(N)cc1Cl)CC1CC1,0
+Cc1ccc(-n2ncc(C(=O)N3CCN(c4cccc[nH+]4)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1,0
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(c5nc(-c6cccnc6)no5)CC4)cc3)nc2n1,1
+NC(CNc1nnc(-c2ccc3[nH]nc(C4CC4)c3c2)s1)Cc1ccc(C(F)(F)F)cc1,1
+COc1cc(OC)c(C2=CC[NH+](C(C)C(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)c(OC)c1,0
+NC(COc1cncc(-c2ccc3[nH]nc(Cl)c3c2)c1)Cc1c[nH]c2ccccc12,1
+NC1(c2ccc(-c3c(-c4ccccc4)ccc4ncnn34)cc2)CCC1,1
+CCOc1ccc(C(=O)N2CC(C(=O)NCCc3ccc(CC)cc3)C3(CC[NH2+]CC3)C2)cc1,0
+Cc1n[nH]c(=O)c2c(NC(=O)C[NH+]3CCCC4CCCCC43)oc(C)c12,0
+CC1CCC[NH+](C(C)CNC(=O)NNC(=O)COc2ccc(C#N)cc2)C1,0
+Cc1cccc(NC(=S)NNC(=O)c2cc3n(n2)C(C(F)(F)F)CC(c2ccc(C)c(C)c2)N3)c1,0
+Nc1c2c(-c3cccs3)nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)nc2nn1-c1ccccc1,0
+CC(NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccc2c(c1)=[NH+]C(=O)[NH+]=2,0
+CC(C)C(C)[NH+](C)CC(O)COc1ccc(C(N)=S)cc1,0
+CC1CN(CC(=O)NC(=O)NC2CCCC(C)C2C)CCO1,0
+CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,1
+COc1cc(C=NNC(=[NH2+])c2nonc2N)cc(OC)c1OC,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cccc(C(=O)O)c1,1
+NC(COc1cncc(-c2ccc3c(O)nccc3c2)c1)Cc1c[nH]c2ccccc12,1
+CCCC(=O)Nc1cccc(NC(=O)C[NH2+]Cc2ccc(OC(C)C)cc2)c1,0
+CCN(CC)S(=O)(=O)c1ccc(Nc2[nH+]cnc(N(C)c3ccccc3)c2N)cc1,0
+CCC([NH3+])C(c1ccc(Br)s1)N(CCCO)C(C)C,0
+COc1ccc2c(c1)=C1CCNC(C3C(=O)NC(=S)N(Cc4ccccc4)C3O)C1[NH+]=2,0
+NCC(C(=O)Nc1cc(Br)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1,1
+CCOC(=O)C1=C(CSC2NN=C(C3=c4ccccc4=[NH+]C3)O2)NC(=O)NC1C,0
+C[NH+](C)C(CNC(=O)NNC(=O)Cc1ccc(Cl)cc1)c1ccc(F)cc1,0
+CC[NH+](CC)CCN(C(=O)c1cc2c(ccc3ccccc32)oc1=O)c1nc2c(C)c(C)ccc2s1,0
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccnc(F)c3)nc2)c1,1
+Cc1ccc(OCC[NH+](C)C(C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1,0
+CC(c1nnc(SCC(=O)Nc2ccc(C(C)(C)C)cc2)n1-c1ccc(Cl)cc1)[NH+](C)C,0
+Nc1c(Nc2nc3ccccc3s2)nc[nH+]c1N1CCCc2ccccc21,0
+Nc1nc(CC(=O)NN=Cc2cc(Br)c(O)c(Br)c2)cs1,0
+CCN(C(=O)CSc1nnc(-c2ccc(C)cc2)n1CC(=O)[O-])C1CCS(=O)(=O)C1,0
+CCOc1ccc(NC(=O)C(C)[NH2+]C(C)c2ccc(NC(=O)CC)cc2)cc1,0
+C=CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)cc2C1=O,0
+Cc1cc(C(=O)Nc2ccccc2SCC(N)=O)c(C)n1C(C)C,0
+CC1CCCC[NH+]1CCCCNC(=O)C(=O)Nc1cc(F)cc(F)c1,0
+CC(NC(=O)c1ccco1)C(=O)N1CCC2(CC1)NCCc1[nH]c[nH+]c12,0
+NC(CNc1ncc(-c2ccc3nnn(N)c3c2)s1)Cc1ccc(C(F)(F)F)cc1,1
+Cc1ccc(C=CC(=O)NC(=S)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc1,0
+CCOC(=O)C1=C(N)OC2=c3ccccc3=[NH+]C(=O)C2C1c1ccc(O)c(OC)c1,0
+O=C(C1CCCC1)N1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+C(=NNC1=[NH+]CCC1)c1ccc(-c2cn3cc(C=NNC4=[NH+]CCC4)ccc3n2)cc1,0
+N#Cc1cccc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1O,1
+Cc1ccc(NC(=O)C[NH+](C)C(C)C(=O)NC(=O)Nc2ccc(C)cc2)cc1,0
+CCOc1cc(C[NH2+]CC[NH2+]CC(C)O)cc(Cl)c1OCc1ccc(Cl)cc1,0
+O=C(c1csc2nc(-c3ccc(F)cc3)cn12)N1CCN(c2ccccc2F)CC1,0
+NC(=O)c1ccc(CN(C(=O)CC2CC3CCC2C3)C2CC2)cc1,0
+CCc1nn(-c2cccc(C)c2)c(N2CC[NH+](C)CC2)c1C[NH+](CC)Cc1ccc(C)s1,0
+CCC(N)C(c1cc(Br)cs1)[NH+]1CCCC1C(=O)NC,0
+O=C(CCSc1n[nH]c(NN=Cc2ccc(Cl)cc2)n1)Nc1cccc(Br)c1,0
+Cc1ccc(C(=O)N2CC(C(=O)NCCc3ccc(Br)cc3)C3(CC[NH2+]CC3)C2)c(C)c1,0
+CCCCC(NC(N)=O)C(=O)N1CC([NH+](C)C)Cc2ccccc21,0
+CC[NH+]1CCc2c(sc(NC(=O)C3CCCN3S(=O)(=O)c3ccc(Cl)s3)c2C(N)=O)C1,0
+CC(NS(=O)(=O)C=Cc1ccccc1)C(=O)NNC(=O)CC1=c2ccccc2=[NH+]C1,0
+COc1cc(-c2cn[nH]c2)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12,1
+CS(=O)(=O)NCC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,1
+Nc1cc(F)c(S(=O)(=O)NC2C[NH+]3CCC2CC3)c(F)c1,0
+[NH3+]Cc1cn(C2CCN(CC3[NH+]=c4ccccc4=C3Cl)CC2)nn1,0
+CCCCC(=O)N1CC(C(=O)NC(C(=O)NC(C)(C)C)C(C)C)C2(CC[NH2+]CC2)C1,0
+OC1CCC[NH+](CCC(O)c2ccc(Br)cc2)C1,0
+O=P1(c2ccccc2O)N[NH+]2CC3C=C(Cc4ccccc4)C(F)=CC3CC2CO1,0
+O=S1(=O)CCN2C=C(C(F)(F)F)C=C(Cl)C2=N1,0
+C=Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(F)c3)cn2CCN2CCCC2)CC1,1
+C[NH+](C)CCCCNS(=O)(=O)c1ccc(N)cc1Br,0
+CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2C2CCNCC2)CC1,1
+Cc1ccc(NC(=O)CN2C(=O)SC(=Cc3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)C2=O)cc1,0
+CCNCC(Cc1ccccc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,1
+NC(COc1cncc(-c2ccc3cnccc3c2)c1)c1ccccc1,1
+CC1CC(C)C[NH+](C(C)(C)CNC(=O)C2CCC3(CC2)NC(=O)NC3=O)C1,0
+CCC([NH3+])C(c1ccc(Br)s1)N1CC(C)OCC1CC,0
+CC1CC(C)N(c2ccc(N3CCC([NH2+]CCc4c[nH]cn4)CC3)cc2)N1,0
+CS(=O)(=O)N1CCC([NH2+]CC2(O)CCC[NH+]3CCCCC32)CC1,0
+Cc1ccc(C[NH+](Cc2cc3c(C)cc(C)cc3[nH]c2=O)C(c2nnnn2C(C)(C)C)C(C)C)cc1,0
+CNS(=O)(=O)c1cccc(CNC(=O)NCC2CC[NH+](C(C)C)C2)c1,0
+CCCC(=O)Nc1cccc(NC(=O)NCC(c2ccco2)[NH+]2CCCC2)c1C,0
+NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCCCC1,1
+Oc1nc2ccccc2n1C1CCN(Cc2ccc(-c3cc4ccccc4nc3-c3ccccc3)cc2)CC1,1
+CC[NH+]1CCCC1CNC(=O)C1(O)c2cc(Br)ccc2NC(=O)N1c1cccc(OC)c1,0
+NC(Cc1ccccc1)C(=O)Nc1cncc(C=Cc2ccncc2)c1,1
+CC1CN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CCN1,1
+Cc1ccsc1C(=O)NNC(=O)NCC1([NH+](C)C)CCCC(C)C1,0
+CC(C)(C)c1cc(C=NNC(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)cc(C(C)(C)C)c1O,0
+NC(=O)c1c(NC(=O)C[NH+](Cc2ccco2)Cc2cccs2)sc2c1CCCC2,0
+CCNC(=O)C(C)NC(=O)NCc1ccc(N2CCCCC2)[nH+]c1,0
+CC1CCN(C(=O)c2ccc(Nc3cc(Nc4ccc5ncsc5c4)nc(N)[nH+]3)cc2)CC1,0
+CCC([NH3+])C(c1cc(Br)cs1)N1CCOCC1(C)C,0
+O=C(COC(=O)COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc(Cl)c(Cl)c1,0
+c1ccc(-c2cn3ccnc3nc2-c2ccc(CN3CCC(c4nc5cccnc5[nH]4)CC3)cc2)cc1,1
+CCC(NS(=O)(=O)c1cccc(C(C)[NH3+])c1)c1cccs1,0
+O=C(NCC1CC2CC[NH+]1CC2CN1CCc2ccccc2C1)Nc1ccsc1,0
+NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cccnc3-4)cc2)CC(O)(C2CC2)C1,1
+CCC(CC)(NS(=O)(=O)c1cccc(Br)c1)C(N)=NO,0
+COc1cccc(-n2c(SCC(=O)Nc3cccc(Cl)c3C)nc3n[nH]c(C)c3c2=[NH2+])c1,0
+NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1n[nH]c2ccccc12,1
+CCCc1cc(=O)n2c(n1)SC(N1CCC(C(=O)NCCC3=c4ccccc4=[NH+]C3)CC1)N2,0
+CC(C)C(=O)NCCNc1nc(C2CCCCC2)nc2c1cnn2-c1ccccc1Cl,0
+CCC[NH+](CC(=O)Nc1cccc(NC(=O)c2ccco2)c1)CC(=O)Nc1ccccc1C,0
+CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)[nH+]c1,0
+CCOC(=O)C1CCC[NH+](Cc2c(O)ccc3c2OC(=Cc2cc(Cl)cc4c2OCOC4)C3=O)C1,0
+Cc1ccc(S(=O)(=O)N2CC[NH+](CC(=O)NN=Cc3cccc(O)c3)CC2)cc1,0
+CC(NC(=O)Nc1cccc(-c2c[nH+]co2)c1)c1ccc2c(c1)OCCO2,0
+O=C(CN1C(=O)NC(CC2=c3ccccc3=[NH+]C2)C1=O)NC(c1ccc(F)cc1)c1cccs1,0
+CCSC1(SCC)[NH+]=C(N)C2(C#N)C(c3ccccc3)[NH2+]C(C)=CC12C#N,0
+CCC(C)N1C(=O)C2C(C(C)O)[NH2+]C3(C(=O)Nc4c(Cl)cc(C)cc43)C2C1=O,0
+CC(C)[NH+]1CCC(CNC(=O)Nc2ccccc2CN2CCc3ccccc32)C1,0
+COc1ccc(CCNC(=O)C2=CC3=c4ccccc4=[NH+]C3C(c3cccc(Cl)c3)=N2)cc1OC,0
+Cc1c(C(=O)NNC(=O)NCC(C)[NH+]2CCCCC2C)oc2ccccc12,0
+O=C(c1cc2n(n1)C(C(F)(F)F)CC(c1ccco1)N2)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1,0
+[NH-]C1=NC(=O)C2=NC(Br)N(C3OC(COP(=O)([O-])[O-])C(O)C3O)C2=N1,0
+CN1C(=O)N(C)C([NH3+])C(C(=O)CN2CCC(C3=c4ccccc4=[NH+]C3)CC2)=C1[O-],0
+O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4cc5[nH]cnc5cc4nc3-c3ccccc3)cc2)CC1,1
+CCC([NH3+])C(c1cccs1)N1CCN(c2nccs2)CC1,0
+CSC1C[NH+](C(CNc2ccccc2O)c2ccc(CC(C)C)cc2)CCN1,0
+CC1(C)CC(N(Cc2ccc(F)cc2)C(=S)Nc2cccc(Cl)c2Cl)CC(C)(C)[NH2+]1,0
+[NH3+]CCc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1,0
+CCOc1ccc(C2(C[NH2+]C(C)C(=O)NC(=O)NC(C)C)CCOCC2)cc1,0
+O=C(C[NH+]1CCN(c2ccc(C(F)(F)F)c[nH+]2)CC1)Nc1ccccc1C(=O)NCc1ccco1,0
+CC12C=CC(O1)C1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)C12,0
+COc1cc(NC(=O)CSc2n[nH]c(NN=C(C)c3ccc(Br)cc3)n2)ccc1Cl,0
+CC(NC(C(=O)NC(C)(C)C)C(C)C)c1ccc(N2CC[NH+](C)CC2)c(F)c1,0
+CCC(=O)OCC1OC(n2nc(Br)c([O-])nc2=O)C(Br)C1OC(=O)CC,0
+O=C(CNC(=O)NCC1CCCC1)NNC(=O)NCCCn1cc[nH+]c1,0
+COc1ccc(C[NH+]2CCC(N(c3ccc(C)cc3)S(=O)(=O)c3ccccc3C)CC2)c(OC)c1OC,0
+OCC[NH2+]CCC[NH2+]Cc1cc(Br)ccc1OCc1c(F)cccc1Cl,0
+CC([NH2+]CC(=O)N(CCC(N)=O)c1ccc(F)cc1)c1ccc(Cl)cc1Cl,0
+CC(C[NH+](C)CC(=O)NCc1ccc(S(N)(=O)=O)cc1)c1ccccc1,0
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(c5nnc(-c6ccccn6)[nH]5)CC4)cc3)nc2n1,1
+Cc1nn(C)c(C)c1C(C)[NH+](C)Cc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)[nH]1,0
+Cc1ccc(F)c(NC(=O)CC2NC(=O)NC2=O)c1,0
+O=C(NCc1ccccc1C(F)(F)F)C1CC12CC[NH+](CC1C=NN=C1c1ccc(F)cc1)CC2,0
+CC(C(=O)N=c1[nH]c(-c2ccc(F)c(F)c2)cs1)[NH+]1CCC(C(=O)N2CCCCCC2)CC1,0
+CCC(CC)(CNC(=O)NCCC(=O)Nc1ccc(Br)cc1)[NH+](C)C,0
+CC(C)CC(C)[NH+](C)CC(=O)Nc1c(Cl)cc(N)cc1Cl,0
+Cc1ccc(C(=O)N2CC(C(=O)NC(C(=O)NC(C)(C)C)C(C)C)C3(CC[NH2+]CC3)C2)c(C)c1,0
+Cc1ccc(Cn2c(N3CC[NH+](CC(=O)N4CCCC4)CC3)nc3sc(C)c(C)c3c2=O)c(C)c1,0
+COc1cc(C2SCC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)ccc1OCC(N)=O,0
+CC[NH+](CC)CCN(C(=O)c1ccccc1S(=O)(=O)CC)c1nc2c(S(C)(=O)=O)cccc2s1,0
+CC1SCc2ncnc(N3CCN(C(=O)C(Cc4ccc(Cl)c(F)c4)CC(C)(C)N)CC3)c21,1
+COc1ccc(CCNC(=[NH2+])NCc2cc(Cl)c3c(c2)OCCO3)cc1,0
+NC(=O)c1cc2c(nc1Nc1ccc(N)cc1)CCCC2,0
+CN(C(=O)COc1ccc(N2C(N)=NC(N)=[NH+]C2(C)C)cc1)c1ccccc1,0
+Cc1ccc2nc(-c3ccc(NC(=O)CSc4nnc(-c5cccs5)n4N)cc3)sc2c1,0
+COc1cc(Br)cc(C)c1NC(=O)C1CCC([NH3+])CC1,0
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CNCCc4nc[nH]n4)cc3)nc2n1,1
+CC1(C)CC(Nc2ncnc(Nc3ccc(Br)cc3)c2N)CC(C)(C)[NH2+]1,0
+Cc1c(Cl)cccc1NC(=O)C[NH+](CCC1=CCCCC1)CC(=O)Nc1cccc(Cl)c1C,0
+Cc1ccc(-n2ccc(=O)c(C(=O)NCC(c3ccc(C(C)(C)C)cc3)[NH+]3CCCC3)n2)cc1C,0
+CC(c1nc2ccccc2c(=O)[nH]1)N(CCCCCC[NH3+])C(=O)c1cccc(Cl)c1,0
+CC[NH+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC(=O)NCc1cccs1,0
+CCC(CO)[NH2+]CC(O)Cn1c(C)c(C)c2cccc(Cl)c21,0
+CN1CCC2(CC1)CN(c1ncnc3[nH]ccc13)c1ccccc12,1
+CCOC(=O)C1SC(NC(=O)CSC2[NH+]=c3ccccc3=[NH+]2)NC1c1ccccc1,0
+CC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CC(C)O)CC1,0
+NC(=O)c1ccc(NCCc2ccc(F)cc2)c2cncnc12,1
+c1ccc(-c2cc3cnc(N4CCn5cnnc5C4)nc3nc2-c2ccc(CN3CCC(c4nnc(-c5ccccn5)[nH]4)CC3)cc2)cc1,1
+CC1=NN(C(=O)c2ccc(O)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,1
+NCCOc1cncc(C=Cc2ccncc2)c1,1
+CC12CCC(=O)C=C1CCC1C2CCC2(C)C(OC(=O)CCC(=O)NCCC3=c4ccccc4=[NH+]C3)CCC12,0
+Cn1c(=NC(=O)c2ccccc2S(C)(=O)=O)sc2cccc(Br)c21,0
+Cc1ccc(NC(=O)NC(=O)CN2CC[NH+](CC(=O)Nc3c(C)cccc3C)CC2)c(C)c1,0
+CC([NH2+]C1CCCNC1=O)(C(=O)[O-])c1ccc(Br)cc1,0
+CN(c1ccccc1)c1[nH+]cnc(Nc2ncc(C(F)(F)F)cc2Cl)c1N,0
+CC(C)NC(=O)C[NH+]1CCN2c3ccccc3CC(C(=O)NCC[NH+](C)C)C2C1,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)c2cc(F)cc(F)c2)CC12CC[NH2+]CC2,0
+CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(CNC)cc21,1
+CCCc1ccc(C([NH2+]CC(=O)NN2C(=O)NC(C)(CC)C2=O)C(C)C)cc1,0
+CC[NH+]1CCCC1CNS(=O)(=O)c1cc(N)c(C)c(Cl)c1,0
+CC(=O)N1CCC2(CC1)CN(c1ncnc3[nH]ccc13)c1ccc(F)cc12,1
+COc1ccccc1C(C)[NH2+]C(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1,0
+NC(=O)c1cc2ccc(O)cc2oc1=[NH+]c1ccc(F)cc1F,0
+Cc1ccc(NC(=O)COc2ccc(Br)cc2C[NH2+]CCCO)cc1,0
+NCC1(c2ccc(Cl)c(Cl)c2)CCN(c2cc(N)ncn2)CC1,1
+Cc1ccc(C(=O)N2CC(C(=O)NC(C)CCCC(C)(C)O)C3(CC[NH2+]CC3)C2)cc1F,0
+Cc1ccc(C2C3CN(C)CC=C3C(C#N)C(=[N-])C2(C#N)C#N)s1,0
+CC1CC(C)C[NH+](CCCCNC(=O)NC(C(N)=O)C(N)=O)C1,0
+CC1CCCCN1C(=O)CSc1nnc(C(C)(C)C)n1N,0
+CC1(C)CC2(CC(C)(C)[NH2+]1)OC(=O)N(CC(O)c1ccccc1)C2(C)O,0
+Cc1c(C[NH2+]C(CC(C)C)c2ncnn2C)c2ccccc2n1CC(N)=O,0
+CS(=O)(=O)Nc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+O=c1[nH]ccc2nc(-c3ccc(CN4CCC(c5nnc(-c6cnccn6)[nH]5)CC4)cc3)c(-c3ccccc3)cc12,1
+Cc1ccc(S(=O)(=O)NN=Cc2ccc(O)c(O)c2)cc1,0
+CC(=O)C(NCCOc1cc(C)ccc1C(C)C)=[NH+]Nc1ccc(Br)cc1,0
+NC(=S)c1cc2ccc(O)cc2oc1=[NH+]c1cccc(Cl)c1Cl,0
+COC(=O)c1ccc(Nc2[nH+]cnc(NN(c3ccccc3)c3ccccc3)c2N)cc1,0
+NC(Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCN(c2ncnc3ccccc23)CC1,1
+Cc1ccccc1C(C)NC(=O)C[NH+]1Cc2ccccc2CC1C(N)=O,0
+CCOc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CC[NH+](C)CC2)cc1Br,0
+C[NH+](C)CCCNc1cc(N2CCN(C(=O)c3ccco3)CC2)c(N)c2c1C(=O)c1ccccc1C2=O,0
+CC[NH+](CC)CCCNS(=O)(=O)c1ccc(Br)cc1N,0
+Cc1ccc(OC(C)C(=O)N2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)cc1,0
+Cc1ccc(C(=O)N(C)C)cc1NC(=O)NCc1cc[nH+]c(N(C)C)c1,0
+NC(=O)CCn1cc(C[NH2+]CC2CCCN(C(=O)C3CC3)C2)c2ccccc21,0
+[NH3+]CC1CCCC[NH+]1Cc1cc(=O)n2ncsc2n1,0
+CCCn1c(N)c(C(=O)C[NH+]2CCCC(CO)C2)c(=O)[nH]c1=O,0
+COc1cc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1NC(=O)c1cc2ccccc2o1,0
+Cc1cc(C)c(NC(=O)Cn2c(NCC(C)O)[nH+]c3ccccc32)c(C)c1,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4ccc(F)c(C(F)(F)F)c4)c3)cc12,1
+CC(C(=O)Nc1sccc1C(N)=O)[NH+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1,0
+Cc1cccc(CCNC(=O)C2CN(C(=O)c3cccc(Cl)c3Cl)CC23CC[NH2+]CC3)c1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1c2ccccc2CC1CO,1
+CCCC(=O)Nc1cccc(NC(=O)NCC(c2ccco2)[NH+]2CCCC2)c1C,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(CN)Cc4ccccc4)c3)cc12,1
+CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1sc2[nH+]c(C)cc(C)c2c1N,0
+COc1ccc2c(c1OC)C(=O)N1C(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CSC21,0
+NC(=O)COc1ccc(C=CC(=O)NCC(c2cccs2)[NH+]2CCCC2)cc1,0
+COc1c2c(cc3c1C(c1c(O)n(-c4ccc(Br)cc4)c(=S)[nH]c1=O)[NH+](C)CC3)OCO2,0
+COc1ccc(CCC(=O)N2CC(C(=O)NCC3CCC(C(=O)[O-])CC3)C3(CC[NH2+]CC3)C2)cc1,0
+ON=C(Nc1cccn2c(-c3ccc(Cl)c(Cl)c3)c[nH+]c12)C(=NO)c1ccccc1,0
+COc1cccc(NC(=O)NCC2OC(CO)C(O)C2[NH+](C)Cc2ccccc2)c1,0
+Nc1cc(Br)ccc1S(=O)(=O)Nc1ccc2c(c1)OCO2,0
+COc1ccc(NC(=O)C[NH+]2CCC3(O)CCCCC3C2c2ccc(OC)cc2)cc1,0
+CC1(C)CCN(C2CC3(CCC2[NH3+])OCCO3)CC1,0
+COc1cc(OC)cc(C(=O)NC(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)C(C)C)c1,0
+CC(C)Cn1c(N)c(C(=O)C[NH2+]C(c2ccccc2)C(C)(C)C)c(=O)[nH]c1=O,0
+CC[NH+]1CCc2c(sc(NC(=O)C3CCCCN3S(=O)(=O)c3ccc(Cl)s3)c2C(N)=O)C1,0
+CN(C)C=Nc1nc(-c2ccc(Br)cc2)c(C#N)c(C#N)c1C#N,0
+CC1CCC[NH+](C(C)(C)CNC(=O)Nc2ccccc2SC(C)CC#N)C1,0
+O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc(NC(=O)NCc2ccco2)cc1,0
+O=C(CC1NC(=O)c2ccccc2NC1=O)NCCC1=c2cc(Cl)ccc2=[NH+]C1,0
+NC(CNc1ncc(-c2ccc3[nH]ncc3c2)s1)Cc1ccc(C(F)(F)F)cc1,1
+CCCOc1c(Br)cc(C[NH2+]CCCCO)cc1Br,0
+CCC[NH+]1Cc2cccc(NC(=O)C(=O)NCC(C)[NH+]3CCCC(C)C3)c2C1,0
+Nc1cccc(C(=O)CC2(O)C(=O)N(CCc3ccccc3)c3ccccc32)c1,0
+NC(=O)c1ccc([NH+]=c2oc3ccccc3cc2-c2nc3ccccc3[nH]2)cc1,0
+CC(NC(=O)C(C)[NH+]1CCCCCCC1)c1ccc(S(N)(=O)=O)cc1,0
+COc1ccccc1Nc1c(N)c[nH+]c2ccc(Br)cc12,0
+CCOC(=O)c1ccsc1NC(=O)CN1CC[NH+](CC(=O)Nc2c(C)cccc2C)CC1,0
+CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(CCCN)cc21,1
+O=C(NCc1ccc(N2CCCCC2CCO)[nH+]c1)Nc1ccc(F)cc1,0
+COc1cc(C[NH2+]C2(CO)CCCC(C)C2)cc(Br)c1O,0
+Cc1nn(CCCCC(C)([NH2+]C2CC2)C(N)=O)c(C)c1Br,0
+Cc1nc(N)nc2c1cc(-c1cn[nH]c1)c(=O)n2C1CCC(OCC(N)=O)CC1,1
+O=C(CCC1=c2ccccc2=[NH+]C1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1,0
+CSc1ccc(C2C=C(C(=O)[O-])[NH+]=C3[NH+]=C(C)NN32)cc1,0
+NC(COc1cncc(C=Cc2ccnc(SCc3ccccc3)c2)c1)Cc1c[nH]c2ccccc12,1
+COc1ccc2c(c1)=C(CCNC(=S)Nc1ccc(I)cc1)C(C)[NH+]=2,0
+CC(C)[NH+](C)CCCCNC(=O)NCC1(O)CCCc2ccccc21,0
+CC1(NC(=O)C2CC3CCCCC3[NH2+]2)CCS(=O)(=O)C1,0
+CC(C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1,0
+CC(C)S(=O)(=O)c1cc(Cc2ccccc2)ccc1N1CC[NH2+]C(Cc2ccccc2)C1,0
+CC(C)(C)CC(NC(=O)C(=O)Nc1sccc1C(N)=O)c1ccc(F)cc1,0
+CC(=C1C(=O)Nc2ccc(NC(N)=O)cc21)c1ccc[nH]1,1
+CC(NC(=O)NCC1CCCC1)(C(=O)[O-])C1CC1,0
+NC(=O)c1c(N)ncnc1N1CCC(c2nc(C3CCCCC3)cn2CCN2CCC2)CC1,1
+NC(COc1cncc(NC(=O)c2ccncc2)c1)Cc1c[nH]c2ccccc12,1
+COc1cc(C=NNC(=[NH2+])N[N+](=O)[O-])cc(I)c1OCc1ccc(Cl)cc1,0
+COCCNC(=O)c1ccc(COc2ccc3c(c2)C(c2ccc(F)cc2)N(C(=O)c2ccco2)CC3)o1,0
+COc1cc2ncc3c(N)nc(-c4cncc(OCC(N)CC(C)C)c4)cc3c2cc1OC,1
+O=C(C[NH+]1CCN(c2cccc[nH+]2)CC1)Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1F,0
+O=C(c1ccc(F)cc1)N1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+O=C(NCC1CN(Cc2ccccc2)CCO1)C1CN(C(=O)c2cccc(Cl)c2)CC12CC[NH2+]CC2,0
+Cc1nc(N)nc2c1cc(-c1cnn(C)c1)c(=O)n2C1CCC(OCO)CC1,1
+CCOc1cccc(C2CC(c3ccc(C)cc3)=NC(c3ccc(OC)c(Br)c3)[NH2+]2)c1O,0
+COc1ccccc1C1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)C2c1cc(OC)c(OC)c(OC)c1,0
+Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2-c2cccc(C#N)c2)CC1,1
+CC([NH+](C)CCC(=O)Nc1ccc(N)cc1Cl)C(C)(C)C,0
+O=C(C1CC(=O)N(C2CCCC2)C1)N1CCCC1,0
+CCc1ccc(NC(=S)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1,0
+NC1(c2ccc(-c3nc4cc(-c5ncc[nH]5)ccn4c3-c3ccccc3)cc2)CCC1,1
+NC(Cc1ccc(F)c(F)c1)C(=O)N1CCN(c2ncnc3ccccc23)CC1,1
+Cc1ccc(Nc2nc(N)nc(C[NH+]3CCCC3c3ccc4c(c3)OCCCO4)n2)cc1,0
+CNc1nc(-c2ccc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2)c(-c2ccccc2)cc1C#N,1
+Cc1c[nH]c2ncnc(N3CCC(NC(=O)c4ccccc4)C3)c12,1
+CC[NH+](CC)C(CNC(=O)NCC(O)c1ccc(OC)cc1)c1ccsc1,0
+O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3ncc(-c4nnn[nH]4)cc3-c3ccccc3)cc2)CC1,1
+N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCNC2CCCC2)CC1,1
+COc1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)nc(OC)n1,1
+COc1ccccc1NCc1nnc(SCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)n1-c1ccccc1,0
+CCOc1cccc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1,1
+[NH2+]=C1Nc2nc3ccccc3n2C(c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)N1,0
+O=C(C[NH+]1CCc2sccc2C1c1ccccc1)NCCc1ccc(OC(F)F)cc1,0
+Cc1ccc(-c2nnc(SCC(=O)N(C3CCCC3)C3CCS(=O)(=O)C3)n2CC(=O)[O-])cc1,0
+COc1ccc(NC(=O)NC2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)c(C)c1,1
+O=C(C=Cc1nc2ccccc2[nH]1)c1c(O)nc2ccc(Cl)cc2c1-c1ccccc1,1
+Cc1csc2ncc(C(=O)N3c4ccc(F)cc4CCC3C)c(=O)n12,0
+COc1ccccc1C=NNC(=O)C[NH+]1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1,0
+CC1(C)CC(NC(=S)Nc2ccc(Br)cc2)CC(C)(C)[NH2+]1,0
+[NH3+]C1CC1NS(=O)(=O)c1ccc(F)c(F)c1,0
+COc1ccc(N2CC[NH+](C(CNC(=O)C(=O)NCc3cccs3)c3ccco3)CC2)cc1,0
+O=C(CCC1CNC(=O)C2CC(NS(=O)(=O)c3cccs3)C[NH+]12)Nc1ccccc1,0
+CCC(C)C(=O)N1CC(C(=O)NCc2ccccc2Sc2ccccc2CO)C2(CC[NH2+]CC2)C1,0
+CC(C)c1ccc(C2CC(C(F)(F)F)n3nc(C(=O)NNC(=S)NCCC[NH+](C)C)cc3N2)cc1,0
+CC[NH+]1CCc2c(sc(NC(=O)Cc3ccc(C)cc3C)c2C(N)=O)C1,0
+CN1CCCc2cc(C(CNC(=O)Nc3ccccc3C(F)(F)F)[NH+]3CCCC3)ccc21,0
+NC(=O)COc1ccc(Br)cc1C[NH2+]CC1CCCO1,0
+Cc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2Cl)cc1,0
+Cl.NCc1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4ccccc4)nc32)cc1,1
+CCCCC([NH3+])c1nc(C(=O)NC2c3ccccc3-c3ccccc32)co1,0
+CC(C)Cn1c(N)c(C(c2ccc(Br)cc2)[NH+]2CCOCC2)c(=O)[nH]c1=O,0
+NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccccc2C(F)(F)F)cc1,0
+CC(C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCN(c2ccc(O)cc2)CC1,0
+OCC[NH2+]CC(O)CN1c2ccccc2Sc2ccccc21,0
+FC(F)(F)c1ccccc1NC(=S)NN=CC1=c2ccccc2=[NH+]C1c1ccccc1,0
+Cc1c(C[NH2+]CCC2=c3ccccc3=[NH+]C2)c(C(=O)[O-])c(C)n1Cc1c(F)cccc1Cl,0
+CCCC(C)C(=O)N1CC(C(=O)NC(C(=O)NC(C)(C)C)C(C)C)C2(CC[NH2+]CC2)C1,0
+CCCC(C)C(=O)N1CC(C(=O)NCc2ccc(C)c(C)c2)C2(CC[NH2+]CC2)C1,0
+NC(CC[NH+]1CCCCC1CCO)c1ccccc1Br,0
+Cc1nn(C)c(C)c1CCC(=O)N1CCC2(CC1)NC(=O)NC2=O,0
+CCNC(=O)c1ccc2c(c1)-c1nc(-c3ccc(C4(N)CC(C)(O)C4)cc3)c(-c3ccccc3)n1CO2,1
+CCOc1ccccc1Nc1[nH+]cnc(N(CC)c2ccccc2)c1N,0
+CCOC(=O)c1c(NC(=O)CSc2nc3ccc(C)cc3[nH]2)sc2c1CC(C)(C)[NH2+]C2(C)C,0
+NC(CC[NH+](CCO)C1CCCCC1)c1ccccc1Br,0
+CC(C)CNC(=O)C[NH+]1CCN(CCC(=O)Nc2ccc(Br)cc2F)CC1,0
+Nc1cc(Cl)cc(Cl)c1NC(=O)CC[NH+]1CCCSCC1,0
+CC[NH+](C)Cc1cccc(CNC(=O)c2ccccc2NC(=O)NC(C)C)c1,0
+O=C(NC(CC1=c2ccccc2=[NH+]C1)C(=O)NCCC1=c2ccccc2=[NH+]C1)OCc1ccccc1,0
+CC(=O)c1ccc(NC(=O)N2CCN(C(=O)C3CSC[NH2+]3)C(C(=O)NC3CCCNC3=O)C2)cc1,0
+CCN1C(SC2C(=O)[NH+]=c3cc(Cl)ccc3=C2c2ccccc2)N=NC1c1ccccc1,0
+CC(C)[NH2+]C(C)(CSc1ccc(Br)cc1)C(N)=O,0
+CN(C)S(=O)(=O)N1CCCC2(C1)Nc1ccccc1NC2=[NH+]C(C)(C)C,0
+CCCCn1c(N)c(N(Cc2ccccc2)C(=O)C[NH+](CC(C)C)CC(C)C)c(=O)[nH]c1=O,0
+CC(C)c1ccc(NC(=O)C(=O)NCC(c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)cc1,0
+O=C(N1CCN(c2ncnc3[nH]nc(Cl)c23)CC1)C1(c2ccc(Br)cc2)CCNCC1,1
+CC[NH+](CC)CCNc1nc(SC)nc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3,0
+CC(NC(=O)CSc1ccc2ccccc2c1)c1ccc(S(N)(=O)=O)cc1,0
+CCCn1c(N)c(C(=O)C[NH2+]C(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O,0
+CCN1C(=O)NC(c2ccc(C)cc2C)C2=C1CN(C(C(=O)NCC(C)C)C(C)C)C2=O,0
+CN1C(=O)C2(N=C(N)NC(Nc3cccc(Cl)c3Cl)=N2)c2ccccc21,0
+COc1cc(C=NN=C2NNC(=[NH2+])Cc3nncn32)cc(OC)c1OC,0
+CCOC(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+Cc1nc(C)c(C(C)N2C(=O)C=CC2=O)s1,0
+CC1(C)C2CC(CNC(=S)Nc3ccc(Br)c[nH+]3)CC1C2,0
+CC1CCc2c(sc(NC(=O)C[NH+]3CCN(CCO)CC3)c2C(=O)Nc2ccccc2F)C1,0
+CC1CC(O)c2ncnc(N3CCN(C(=O)C(CN(C)C(C)C)c4ccc(Cl)cc4)CC3)c21,1
+CC([NH2+]CCS(N)(=O)=O)c1c(Cl)ccc(F)c1Cl,0
+Cc1cc(OCC(N)=O)ccc1NC(=O)NCCC[NH+]1CC(C)CC(C)C1,0
+COc1ccc(CCNC(=[NH2+])NCc2ccc(Cn3ccccc3=O)cc2)cc1,0
+COc1cc2ncc3c(N)nc(-c4cncc(OCC(N)Cc5cccc(C(F)(F)F)c5)c4)cc3c2cc1OC,1
+O=C(CC1[NH2+]C2CCCCC2NC1=O)Nc1ccc(F)c(Cl)c1,0
+NS(=O)(=O)c1cccc(CNC(=O)NCCc2ccccc2F)c1,0
+COc1ccc2c(c1)OCn1c-2nc(-c2ccc(C3(N)CC(O)(C4CC4)C3)cc2)c1-c1ccccc1,1
+O=C(CC[NH+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccccc1Oc1ccccc1,0
+O=C1NC2(CC[NH2+]CC2)C(=O)N1Cc1ccc(Cl)s1,0
+COc1cc(CCNC(=O)C2CN(C(=O)c3ccc(Br)cc3)CC23CC[NH2+]CC3)cc(OC)c1,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)c2cccc(Cl)c2Cl)CC12CC[NH2+]CC2,0
+CC(C)Oc1ccc(CNC(N)=[NH+]C2CC2)c(C(F)(F)F)c1,0
+Nn1c(NN=C(Cc2ccccc2)Cc2ccccc2)nnc1SCC(=O)Nc1ccc(F)c(F)c1,0
+CCOc1ccc2nc(N3CN(c4nc5ccc(OCC)cc5s4)C[NH+](Cc4ccco4)C3)sc2c1,0
+Cc1cc2nc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CC(C)CC(C)C4)cc3)sc2cc1C,0
+O=S(=O)(N=C1[NH+]=c2ccccc2=[NH+]C1Nc1cccc(Br)c1)c1ccc(Cl)cc1,0
+CC(C)CCCC1(C)CCc2c(O)cccc2O1,1
+NC(CNc1ncc(-c2ccc3c(c2)CC(=O)N3)s1)Cc1ccc(C(F)(F)F)cc1,1
+Cc1csc2nc(Cn3cc(Br)ccc3=O)cc(=O)n12,0
+O=C(NCC(c1ccsc1)[NH+]1CCCCCC1)C(=O)Nc1ccccc1F,0
+Cc1n[nH]c2ccc(-c3cc(OCC(N)Cc4ccccc4)cnc3-c3ccccc3)cc12,1
+CCC[NH+]1CCC(CNC(=O)C(=O)Nc2c(C(C)C)cccc2C(C)C)C1,0
+Cc1c(C(=O)NNC(=O)NCc2ccccc2C[NH+](C)C)oc2ccccc12,0
+COc1ccccc1-c1cccc2c1CCN2C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+CCN(CC)c1ccc(C2C3CCCCC3(O)CC[NH+]2CC(=O)NCc2ccco2)cc1,0
+O=C1CCCC2=C1C(C1=CC=[NH+]C1)N1NC(SCc3ccccc3)NC1N2,0
+CC1=C(C#N)C(Nc2cccc(C)[nH+]2)(C(F)(F)F)C(=O)N1,0
+CN(C)S(=O)(=O)c1cccc(C2NN(c3ccccc3)C=C2C=C(C#N)C2[NH+]=c3ccccc3=[NH+]2)c1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1c2ccccc2CC1c1ccccc1,1
+CC(C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCN(Cc2ccc(Cl)s2)CC1,0
+CCOC(=O)c1c(NC(=O)COc2cccc(C)c2)sc2c1CC(C)(C)[NH2+]C2(C)C,0
+Cn1nnnc1-c1cnc(-c2ccc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2)c(-c2ccccc2)c1,1
+COC(=O)Nc1cc(NC(=O)NCC(C)(C)[NH+]2CC(C)CC(C)C2)ccc1F,0
+CC(C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC(O)CC1,0
+O=C(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)C1CCC1,1
+C[NH+](CC(=O)Nc1ccccc1I)CC(=O)Nc1c(Cl)cccc1Cl,0
+O=S(=O)(c1cccs1)N1CCC2(CC1)NCC[NH+]=C2NCc1ccccc1Cl,0
+CCC([NH3+])C(c1ccc(Br)s1)N1CCC(O)CC1,0
+CNC(=O)c1nn(CCc2ccccc2)c2c1CC([NH2+]CC1(O)CCCCC1)CC2,0
+CC(=O)Nc1ccccc1C1[NH+]=c2ccc(C(=O)NCc3ccccc3Cl)cc2=[NH+]C1=O,0
+CCc1ccccc1NC(=O)c1c(NC(=O)C[NH+]2CCCCC2CC)sc2c1CCC(C(C)(C)C)C2,0
+Cc1cc2oc(=O)cc(C)c2cc1NC(=O)C1CC(C)NC(=S)N1,0
+CC1=C(C(=O)NCCC2=c3ccccc3=[NH+]C2)C(c2ccccc2Cl)NO1,0
+NC(COc1cncc(-c2ccc3c(F)nccc3c2)c1)Cc1c[nH]c2ccccc12,1
+CC12CN3CC(c4ccccc4)(C[NH+](C1)C3C(C)(O)C(C)(O)C(C)(O)CO)C2=O,0
+CC1CC[NH+](CC(O)CNC(=O)NC(c2ccc(F)cc2)C2CCCO2)CC1,0
+CC1(C)CC(NC(=S)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CC(C)(C)[NH2+]1,0
+CC[NH+]1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CC(C)O)CC1,0
+O=S(=O)(CC1CCCCC1)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+COc1cccc(N2C(SCC(=O)Nc3cccc(C)c3C)=NNC2Cc2cc(=O)[nH]c(=O)[nH]2)c1,0
+Cc1ccc(C(=O)N(CCC[NH+](C)C)CC2CC[NH+](C3Cc4ccccc4C3)CC2)c(C)c1,0
+Cn1ncc(Br)c1-c1ccc(C(=O)NC2CNCCC2c2ccc(F)c(F)c2)cn1,1
+FC(F)(F)c1cccc(-c2c[nH]c(C3CCN(c4ncncc4Br)CC3)n2)c1,1
+CCc1ccc(C(C)NC(=O)C2CN(C(=O)c3c(F)ccc(C)c3F)CC23CC[NH2+]CC3)cc1,0
+CC(C)CC([NH3+])C(=O)NN=Cc1cc(Br)cc(Br)c1O,0
+CC([NH2+]C(c1ccccc1)c1cccs1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1,0
+CCCCN1C(=O)C2C(CC(C)C)[NH2+]C3(C(=O)Nc4ccc(Br)cc43)C2C1=O,0
+Cc1sc2nc(C[NH2+]Cc3cn(CCC(N)=O)c4ccccc34)cn2c1C,0
+Cc1ccc(C)c2c1NC(=O)C2[NH2+]CC1CCCO1,0
+NC(=O)C=Cc1ccc2nn3cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nc3c2c1,1
+Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(F)c4)cn3CCN3CCCC3)CC2)c1C1CCC1,1
+CC([NH2+]Cc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl,0
+Cc1cccc(-c2nc(C3CCN(Cc4ccc(-c5nc6nc(C)nn6cc5-c5cccc(F)c5)cc4)CC3)n[nH]2)n1,1
+CCOc1ccc(OCCNC(=O)CSc2nnc(-c3ccccc3Br)n2N)cc1,0
+OCc1ccc(Oc2cc(Br)ccc2C[NH2+]C2CC2)cc1,0
+CC(C)COCCCNC(=O)C1CN(C(=O)c2ccc(-c3ccccc3)o2)CC12CC[NH2+]CC2,0
+CC(C(=O)NC(=O)NC(C)(C)C)N1CC[NH+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1,0
+CC(C)CNC(c1ccc(Cl)cc1)c1ccc(-c2ncnc3[nH]cnc23)cc1,1
+Cc1ccccc1CN(C(=S)Nc1cccc(Cl)c1Cl)C1CC(C)(C)[NH2+]C(C)(C)C1,0
+O=C(CCCCCN1NNc2ccccc2C1=O)NCCC1=c2ccccc2=[NH+]C1,0
+NS(=O)(=O)c1ccc(NC(=S)NCCCc2ccccc2)cc1,0
+CCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(C)cc1C)C(=O)Nc1ccc(C)cc1,0
+NC1(c2ccc(-c3nn4cccc4cc3-c3ccccc3)cc2)CCC1,1
+O=C(NCCc1ccc(O)cc1)C1CSCC(c2ccc(F)cc2)[NH2+]1,0
+CC(c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC(=O)Nc1cccc2nsnc12,0
+OCC1OC(Oc2ccc3cc(Br)ccc3c2)C(O)C(O)C1O,0
+CC(C)C(NC(=O)c1ccccc1Cl)C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCCC2,0
+CC[NH+](CC)C(CNC(=O)C(CCSC)NC(=O)c1ccco1)c1ccccc1Cl,0
+CC(C)(C)c1ccc(-c2cn3cc(NC(=O)CC[NH3+])ccc3n2)cc1,0
+Cc1ccc(Oc2ccc(C(C[NH3+])N(C)CCO)cc2)cc1C,0
+COc1ccc(Br)cc1C(=O)NC(=S)Nc1sc2c(c1C(N)=O)CCC(C(C)(C)C)C2,0
+Cc1cc2c(n1-c1cc([N+](=O)[O-])ccc1F)CCCC2[NH3+],0
+Cc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1Cl,1
+Nc1c(NN(c2ccccc2)c2ccccc2)nc[nH+]c1Nc1ccccc1C(F)(F)F,0
+COc1cccc(C(CNS(=O)(=O)c2ccc(F)c(F)c2F)C2=c3ccccc3=[NH+]C2)c1OC,0
+CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)NC2CCCC2)CC1,0
+NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccc(Br)cc3-4)cc2)CCC1,1
+NC(COc1cncc(-c2ccc(CO)cc2)c1)Cc1c[nH]c2ccccc12,1
+CCC1CCc2c(sc3nc(SCC(=O)Nc4cccc([N+](=O)[O-])c4)n(-c4ccccc4)c(=O)c23)C1,0
+Cc1ccc(C)c(C=Cc2onc(C)c2S(=O)(=O)N2CCCC(C(=O)Nc3ccc(Cl)cn3)C2)c1,0
+O=C(C1CSC[NH2+]1)N1CCN2C(=O)N(CCO)C(=O)C2C1,0
+O=C(CN1CCCC1=O)N1CCCC2(C=Cc3ccccc3O2)CC1,0
+COc1ccc(N2C(=O)N(c3cccc(C)c3)C3CS(=O)(=O)CC32)cc1,0
+CC1CCCCC1[NH+](CC(=O)NC(=O)NC1CC1)CC(=O)NC(=O)NC1CC1,0
+N#Cc1cccc(-c2ccc3nn4cc(-c5ccccc5)c(-c5ccc(C6(N)CCC6)cc5)nc4c3c2)c1,1
+Cc1ccc(Nc2nc(N)nc(COC(=O)c3sc4nc5n(c(=O)c4c3C)CCCCC5)n2)cc1,0
+CC(OC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1,0
+O=C1N(CC2CC2)CCCC1(O)C[NH2+]Cc1cc(F)cc(F)c1,0
+CCOC(=O)C1=C(C[NH+](C)CC(=O)Nc2cccc(C)c2C)NC(=O)NC1c1ccco1,0
+CC[NH+](CC)CCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2C1c1ccc(C(=O)OC)cc1,0
+O=C(NCCCn1cc[nH+]c1)NNC(=O)c1ccc(OCC2CC2)cc1,0
+CCn1cnc2c(Nc3cccc(Cl)c3)nc(NC3CCCCC3[NH3+])nc21,0
+C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3sc4ccccc4c3Cl)cc2)CC1,0
+Cc1cc2cc(CN(CC[NH+]3CCOCC3)C(=S)NCCC[NH+](C)C)c(=O)[nH]c2cc1Cl,0
+CC[NH+]1C(SCc2nc3ccccc3c(=O)[nH]2)NNC1c1ccc(OC)cc1,0
+CCCC1OC2CC(=O)OC2C2=C1C(=O)c1c(OC)cccc1C2=O,1
+CC[NH+](CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)CC(=O)NC(C)(C)C,0
+CC(C)[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)C1,0
+Cc1c(Cl)cccc1NC(=[NH2+])Nc1nc(CSc2nc3ccccc3s2)cc(=O)[nH]1,0
+CCOc1cccc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1,1
+[NH3+]C1CC1NS(=O)(=O)c1ccc(I)cc1,0
+CNCCn1cc(-c2ccnc(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2C2C=NOC2)CC1,1
+Cc1ccc(C[NH+](Cc2ccc(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)o2)CC2CCCO2)o1,0
+CCc1ccc(OCC(O)C[NH+](C)C(C)c2ccc(S(N)(=O)=O)cc2)cc1,0
+CCn1cc(-c2cc(NCC(c3ccccc3F)[NH+]3CCCC3)nc(N)n2)cn1,0
+COc1ccc(C2CCC[NH+]2CC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4ccc(Br)cc4F)c3)cc12,1
+CCC(O)C[NH+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C1CCCCC1,0
+NC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3ccoc3)cn2CCN2CCC2)CC1,1
+CCC(C)CC(=O)N1CC(C(=O)NC2CCCCCCC2)C2(CC[NH2+]CC2)C1,0
+Nc1cccc(-c2cn(CC3CC4CC[NH+]3CC4C(=O)NCc3ccco3)nn2)c1,0
+N#CCCN1CC(C[NH2+]CC(C2=c3ccccc3=[NH+]C2)c2ccccc2)c2ccccc21,0
+CN(Cc1sccc1Br)c1ccc(C(N)=[NH2+])cc1,0
+CC(C)NC(=O)N1CCC(C(=O)Nc2nc3c(s2)CN(C)CC3)CC1,0
+CC[NH+]1CCCC1CNC(=S)NNC(=O)c1sc2ccccc2c1Cl,0
+CC1CC1c1ccc(C[NH+](CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C2CC2)o1,0
+CC(c1ccc(Cl)cc1)N(C)c1ccc(Cl)cc1C(N)=[NH2+],0
+[NH3+]CC(c1ccc(Br)cc1)N1CCCC1CCCO,0
+O=C(CN1CC[NH+](CC(=O)NC(c2ccc(F)cc2)c2cccs2)CC1)Nc1ccc(F)cc1,0
+CCCCNC(=O)C(=Cc1ccc(OC(C)C)cc1)NC(=O)c1ccccc1I,0
+Cc1cc(-c2cccnc2)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+C[NH+](C)C(CNC(=O)Nc1ccccc1OCCC(N)=O)c1ccc(F)cc1,0
+Cc1ccc(-c2nc(SC(C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)[nH]c2-c2ccc(C)cc2)cc1,0
+Cc1ccc(C(C)NC(=O)NC(C)c2ccc(N3CC[NH+](C)CC3)cc2)s1,0
+COc1ccc2c(c1)=C1CCN(C(=O)Nc3ccc(Br)cc3)C(c3ccc(F)cc3)C1[NH+]=2,0
+Cc1ccc(CNS(=O)(=O)c2ccc(C#CC[NH3+])cc2)s1,0
+NC(Cc1cccc2ccccc12)C(=O)Nc1cncc(C=Cc2ccncc2)c1,1
+CCOC(=O)c1c(NC(=O)C(C)Oc2coc(C[NH+]3CCc4ccccc4C3)cc2=O)sc2c1CCC2,0
+CC(C)(C)NC(=O)C[NH+]1CCc2nc(N3CCCC3)[nH]c(=O)c2C1,0
+CCC([NH3+])C(Oc1ccccc1C(N)=O)c1cc(Br)cs1,0
+CC[NH+](CC)CCSc1nc(N)c(NC(=O)c2ccc(Br)o2)c(=O)[nH]1,0
+CC1Cc2c(cccc2C(F)(F)F)N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+CC(C)C(C(=O)N1CCOC2CCCC21)C(N)=NO,0
+CNC(=O)C(C)[NH2+]CC(O)COc1ccc(C)cc1Br,0
+CCOC(=O)C1=C(C[NH+]2CCCN(C(=O)c3cccs3)CC2)N(CC)C(=O)NC1c1ccc(OC)cc1,0
+CC(C)CC([NH3+])c1nc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)cs1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cccc(OC(F)(F)F)c1,1
+COc1ccc(C(C)=NN=C2NC(=O)CC(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)S2)cc1,0
+NC1(c2ccc(-c3nc4ccc(C(=O)NCCF)cn4c3-c3ccccc3)cc2)CCC1,1
+Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1,0
+CCC(N)C(c1ccc(Br)s1)[NH+]1CCCC1C(=O)NC,0
+CCOC(=O)c1c(NC(=S)NNC(=O)c2csc3c2CCC(C)C3)sc2c1CCCCC2,0
+CCN1CC(C[NH+](C)CC(=O)Nc2sc3c(c2C(N)=O)CCC3)Oc2ccccc21,0
+O=C(Nc1cccc(C(F)(F)F)c1)N1CCC2=c3ccccc3=[NH+]C2C1c1ccccc1F,0
+CCCOc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)C3c2cccc(Br)c2)c1,0
+NS(=O)(=O)c1cccc(NC(=O)CC[NH+]2CCCC2c2ccsc2)c1,0
+CC(C)(C)CC(C)(C)NC(=O)C(c1cccc(O)c1)N(C(=O)c1cccc(O)c1O)c1ccccc1,0
+CC(C)C(C)[NH+](C)CCCC(=O)Nc1ccc(N)cc1Cl,0
+CCC(NC(=O)NCC(c1cccs1)[NH+]1CCCC1)c1cccs1,0
+CON=C1CCS(=O)(=O)c2ccc(F)cc21,0
+O=C(CNC(=O)N1CCC2=c3ccccc3=[NH+]C2C1)NCC(O)c1ccccc1,0
+NC1(c2ccc(-c3nc4c(C5CC5)cccn4c3-c3ccccc3)cc2)CCC1,1
+CCCC(=O)Nc1cccc(NC(=O)C(=O)NCCCn2cc[nH+]c2C)c1C,0
+Cn1cncc1-c1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1,1
+CCCC[NH+](C)CC1CC[NH+](C(C)C(=O)N2CCCC(C(N)=O)C2)CC1,0
+COC(=O)C([NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)O,0
+Cc1cc(C)c(C)c(S(=O)(=O)NCC([NH3+])CC(C)C)c1C,0
+C[NH+]1CCc2c(sc(NC(=O)C3CCCN(S(=O)(=O)c4ccc(Cl)s4)C3)c2C(N)=O)C1,0
+Cc1[nH+]c(CNC(=O)c2cc(C(C)C)nc(N)n2)n(C)c1C,0
+CNC(=O)c1nn(CC2CCCCC2)c2c1CC([NH2+]CC(C)(C)CO)CC2,0
+CS(=O)(=O)N1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC1,1
+COC(=O)c1cc(NC(=O)CC2[NH2+]C3CCCCC3NC2=O)cc(C(=O)OC)c1,0
+COc1ccc(C(C)[NH2+]C(C)c2cccc(O)c2)cc1Br,0
+NC1CCC(Nc2nccc(-c3c[nH]c4ncccc34)n2)CC1,1
+Nc1ccc(-c2cn3cccc(OCC(=O)NCCc4ccccc4)c3[nH+]2)cc1,0
+CCC[NH2+]C(CCSc1cccc(Br)c1)C(N)=O,0
+COc1cc2c(cc1OC)C(c1c(O)nc(O)n(-c3cc(C)cc(C)c3)c1=O)[NH2+]CC2,0
+CC[NH+]1CC2C(c3c(C)sc4ccccc34)NC(CO)(CCO)C2C1,0
+CNS(=O)(=O)c1ccccc1NC(=O)C1CC(OC)C[NH2+]1,0
+Cc1ccsc1C(=O)NNC(=O)NCC(c1ccsc1)[NH+](C)C,0
+O=C(NCCNc1ccccc1)C1CN(C(=O)C2COc3ccccc3O2)CC12CC[NH2+]CC2,0
+COc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc(Br)c1OCc1ccccc1C,0
+CCOc1ccc(NC(=S)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cc1,0
+COc1ccc2c(c1)=CC(CN(Cc1cccnc1)S(=O)(=O)c1ccccc1Br)C(=O)[NH+]=2,0
+Cn1nnnc1-c1cnc(-c2ccc(CN3CCC(n4c(O)nc5ccccc54)CC3)cc2)c(-c2ccccc2)c1,1
+CC(C)C(C)[NH+](C)C(C)C(=O)Nc1c(N)cc(Cl)cc1Cl,0
+Cc1ccc(C(CNCl)N2CC[NH2+]C(c3ccccc3O)C2)cc1,0
+Cc1ccc(C)c(N2CC(CN(C)Cc3[nH]c(C)c[nH+]3)C(c3ccccc3)N2)c1,0
+Cc1c(N2CCN(C(=O)c3n[nH]c4c3CCc3ccccc3-4)CC2)c(=O)n(C)c(=O)n1-c1ccccc1,0
+COc1cc(Br)cc(C[NH2+]CCNCCO)c1OC(C)C,0
+CCC[NH+](Cc1nc2scc(-c3ccc(C)cc3C)c2c(=O)[nH]1)CC(O)COC(C)(C)C,0
+[NH3+]C(c1cc(Cl)c2c(c1)CCC(=O)N2)C1CCCO1,0
+CC(C(=O)Nc1c(N)cc(Cl)cc1Cl)[NH+]1CCCCCC1,0
+Cn1ncc(Cl)c1-c1cc(C(=O)NC2CNCCC2c2cccc(F)c2)sc1Cl,1
+Cc1cccc(C)c1NC(=O)C[NH2+]CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-],0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)c2ccc(Cl)cc2Cl)CC12CC[NH2+]CC2,0
+CC(C)c1ccccc1NS(=O)(=O)c1cc(C[NH3+])ccc1F,0
+Nc1ccc(CCc2ccc(NC(=O)c3csc(C4CCC[NH2+]4)n3)cc2)cc1,0
+NS(=O)(=O)c1ccc(NC(=O)CC[NH+]2CCN(S(=O)(=O)c3cccs3)CC2)cc1,0
+CC([NH3+])C1CCCCN1CCOc1ccc(Cl)cc1Br,0
+CSc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CC[NH+](C(C)C)C2,0
+CC1CN(C(=O)CC[NH+]2CCc3sccc3C2c2ccccc2)CCN1C(=O)c1ccc2ccccc2c1,0
+CCOc1c(Br)cc(C[NH2+]C2CCCCC2O)cc1OC,0
+Cc1ccccc1NC(=[NH2+])Nc1nc(CSc2nc3ccccc3s2)cc(=O)[nH]1,0
+CC(C)CCCC1(C)CCc2cc(O)cc(F)c2O1,1
+CS(=O)(=O)c1cccc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4C(N)=O)CC3)n2)c1,1
+CC1Cc2c(Br)cccc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)n1C,1
+CC([NH3+])C(c1cccc(Br)c1)N1CCCCC1CCO,0
+CCOc1ccc(NC(=O)c2ccc(NC(=O)C[NH+](C)CC3COc4ccccc4O3)cc2)cc1,0
+COc1ccccc1C(CNC(=O)NCC(=O)Nc1ccc(Cl)cc1)[NH+](C)C,0
+O=C1CCCN1CCC1CC[NH+](C2c3ccccc3C3(CC[NH2+]CC3)C2O)CC1,0
+[N-]=[N+]=[NH+]C(CI)c1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O,0
+CC(C)(C)CC(C)(C)NC(=O)C(c1c(O)cc(O)cc1O)N(C(=O)c1cccc(Cl)c1)C(C)(C)C,0
+O=S(=O)(NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1)C1CC1,1
+C[NH+](C)CCCNC(=O)C1CN(C(=O)c2ccc(C(F)(F)F)cc2)CC12CC[NH2+]CC2,0
+CCN(c1ccccc1)c1[nH+]cnc(Nc2nc3c(C)cccc3s2)c1N,0
+C#Cc1cccc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1,1
+CCOc1ccc(C[NH+]2CCNC(=O)C2CC(=O)NCc2ccc3[nH]c(C)cc3c2)cc1,0
+O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)NNC(=O)CC1=c2ccccc2=[NH+]C1,0
+CCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(C)cc1C)C(=O)Nc1ccc(Cl)cc1,0
+NC(=O)C([NH2+]CC1CCCO1)c1cccc(Br)c1,0
+O=C(C[NH+](CCO)CCO)Nc1ccccc1I,0
+OC(C[NH2+]C1CCCCC1)CSCC(O)C[NH2+]C1CCCCC1,0
+CC(Sc1nnc(C(C)[NH+](C)C)n1-c1ccc(F)cc1)C(=O)N=c1[nH]c(-c2ccccc2)cs1,0
+CC[NH+](CC)CCCNc1nc(SC)nc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3,0
+COc1cc(OC)c2[nH]c(C(=O)OCC(=O)Nc3sccc3C(N)=O)cc2c1,0
+Cc1cc(-c2ccc3nc(-c4ccc(C5(N)CCC5)cc4)c(-c4ccccc4)n3c2)[nH]n1,1
+NC(NCCCOc1ccc(Cl)cc1Cl)=[NH+]CC1CCCO1,0
+Nc1ccc(Br)c(C(=O)NCC2CC[NH+](C3CC3)C2)c1,0
+NC(=O)c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2n1,1
+[NH3+]C(Cc1ccc(O)cc1)c1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)co1,0
+Cc1ccc2[nH]c(SC(C)C(=O)Nc3sccc3C(N)=O)nc2c1,0
+CC([NH2+]CC(=O)N1CC(C(N)=O)Oc2ccccc21)c1ccccc1Cl,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1Cc2ccccc2C1,1
+CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCCN)c21,1
+Cn1cc(S(=O)(=O)N2CCC[NH+](C)CC2)cc1C(=O)NN,0
+CC(C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1,0
+NS(=O)(=O)c1ccc(CCNC(=O)CCCC2=c3ccccc3=[NH+]C2)cc1,0
+CC(C[NH+]1CCCC1)NS(=O)(=O)c1ccc(N)cc1Br,0
+COc1ccccc1CNC(=O)C(CC(C)C)NC(=O)C1Cc2ccccc2C[NH2+]1,0
+Cc1cc(C)c(CNC(=O)NCC(C)(C)[NH+]2CCCCC2)c(=O)[nH]1,0
+Cc1nccc(CNc2c(N)c[nH+]c3ccc(Br)cc23)n1,0
+Nc1nnc(SCC(=O)Nc2cc(-c3ccc4c(c3)CCCC4)nn2-c2ccccc2)s1,0
+CNS(=O)(=O)c1ccc2ncnc(N3CCN(C(=O)C(N)Cc4ccc(Cl)cc4)CC3)c2c1,1
+NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccccc3-4)cc2)CCC1,1
+O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)C1C(=O)[NH+]=c2ccc(Cl)cc2=C1c1ccccc1,0
+CCOc1cccc(C(C)NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1,0
+CC[NH+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc54)cc3)c2C(=O)OC)C1,0
+CCOc1ccccc1C(=O)NC(=S)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1,0
+O=C([O-])C1CC(C2CCCC[NH2+]2)C[NH+]2CCCCC12,0
+COc1ccc(C(CNC(=O)C2=C(c3ccccc3)SCCO2)[NH+]2CCCCC2)cc1,0
+COc1ccc(N(CC2C=c3cccc(C)c3=[NH+]C2=O)C(=O)c2ccccc2Br)cc1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1ccc(F)c(F)c1F,1
+Nc1ccc(C(O)CC[NH+]2CCN(c3ccccc3F)CC2)cc1,0
+CN1CC(C(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])CC1=O,0
+CN(C)c1ccc(C(CNC(=O)C(=O)NCc2cccs2)[NH+]2CCc3ccccc3C2)cc1,0
+CC([NH3+])C(c1ccc(Br)cc1)N(C)Cc1cc(Br)cs1,0
+Cc1cc(C[NH2+]C(C)c2ccc(S(N)(=O)=O)cc2)c(C)s1,0
+COC(=O)c1cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c(OC)n1,1
+CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccncc3-4)cc2)C1,1
+CC1CCCCC1(C[NH3+])N1CCS(=O)(=O)CC1,0
+CC(c1nnc(SCC(=O)Nc2ccccc2Br)n1-c1ccc(Cl)cc1)[NH+](C)C,0
+COC(=O)c1c(NC(=O)C(=O)NCC[NH+]2CCCCC2)sc(C(N)=O)c1C,0
+CCCCN(C(=O)C[NH2+]C1(c2noc(C)n2)CCCCC1)c1c(N)n(CCC)c(=O)[nH]c1=O,0
+NC(=O)CCn1cc(C[NH2+]CC2(c3ccccc3)CCOCC2)c2ccccc21,0
+O=P1(c2ccccc2O)NN2CCc3cc(Cl)c(O)cc3C2CO1,0
+CC(Sc1nnc(C(C)[NH+](C)C)n1-c1ccc(F)cc1)C(=O)N1c2ccccc2NC(=O)C1(C)C,0
+Cc1ccc(C2=NN(C(=O)C[NH2+]C(C)c3ccc(S(N)(=O)=O)cc3)C(c3cccs3)C2)o1,0
+CC(C)(C)NC(=O)NC(=O)CCSC1NN=C(C2=c3ccccc3=[NH+]C2)N1C1CC1,0
+CC1Cc2c(ccc(F)c2F)N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)n1C,1
+C#CCOc1ccc(Br)cc1C[NH2+]CCS(N)(=O)=O,0
+CC([NH2+]C(CO)c1ccccc1)c1ccc(I)cc1,0
+C[NH+](CCCNC(=O)NCC(O)c1ccc(F)cc1)Cc1ccccc1,0
+Nc1ncccc1-c1nc2ccc(-c3cccnc3)nc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,1
+Cc1ccc(CNc2c(Nc3ccncc3)c(=O)c2=O)cc1C,1
+CCOc1cc(C[NH2+]C(C)C)cc(Br)c1OCCC(N)=O,0
+N#Cc1ccc(-c2cccc3nn4cc(-c5ccccc5)c(-c5ccc(C6(N)CCC6)cc5)nc4c23)cc1,1
+CN(C)C1(C[NH2+]Cc2ccc(O)c(Br)c2)CCCCC1,0
+OC(c1ccc(F)cc1)C(CCC(C[NH+]1CCCCCC1)C(O)c1ccc(F)cc1)C[NH+]1CCCCCC1,0
+Cc1noc(C)c1S(=O)(=O)N1CC[NH+](CC(=O)Nc2sc3c(c2C(N)=O)CCC3)CC1,0
+CCCOc1ccccc1C1C(C#N)=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc21,0
+CCN(CC)C(=O)C[NH+]1CCN(c2nc3sc4c(c3c(=O)n2Cc2ccccc2)CC(C)(C)OC4)CC1,0
+OC(C[NH+]1CCC(CCCC2CC[NH+](CC(O)c3ccccc3)CC2)CC1)c1ccccc1,0
+COc1ccc(OC)c(C(Nc2cccc[nH+]2)c2c(NC(=O)c3ccco3)sc(C)c2C)c1,0
+COc1cccc(C(C(=O)NC2CCCCC2)N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2Cl)c1,0
+CC(C)(C[NH2+]Cc1cc(Br)cs1)NS(C)(=O)=O,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)CCc2ccccc2)CC12CC[NH2+]CC2,0
+NNc1ncc(Br)cc1S(=O)(=O)N1CCc2ccccc21,0
+CCc1ccc(C(C)NC(=O)C[NH+](C)CC(=O)Nc2c(Cl)cccc2Cl)cc1,0
+Cc1cn2c(NC(C)C)c(-c3ccccc3)c(-c3ccc(CN4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)nc2n1,1
+Cc1c(C(=O)N2CCOCC2)oc2ccc3c(c12)C(O)CC(C)(C)O3,0
+CC(C)C[NH+](CC(N)=O)CC(=O)NCc1cc(Br)cs1,0
+O=C(Nc1[nH+]cccc1O)c1nc(-c2cccs2)n(-c2ccccc2)n1,0
+CC(C)[NH+]1CC=C(NN=C(O)c2ccccc2NS(=O)(=O)c2cccs2)CC1,0
+O=C1[NH+]=c2ccccc2=C1NNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1,0
+Cc1ccc(C2=NN(C(=O)C[NH2+]C(C)c3ccc(S(N)(=O)=O)cc3)C(c3cccs3)C2)o1,0
+CC(C)(C)CC(C)(C)NC(=O)C(c1ccccc1O)N(C(=O)c1cccc(O)c1O)c1ccccc1Cl,0
+NC(=O)C1CCCC[NH+]1CC(=O)NC1CCCc2ccccc21,0
+C[NH+](C)CC(C)(C)CNC(=O)C1CN(C(=O)CCC2CCCC2)CC12CC[NH2+]CC2,0
+O=C(CCCNC(=O)N1CCC2=c3ccccc3=[NH+]C2C1)Nc1ccc(O)cc1,0
+C#Cc1ncc(OCC(N)Cc2c[nH]c3ccccc23)cc1-c1ccc2cnccc2c1,1
+C#CCOCC(O)C[NH+](CCC(C)C)Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1,0
+CC(C)[NH+](C)CCCCNc1cccc(Cl)c1C(N)=S,0
+CC[NH+]1CCCC1CNC(=O)C1CCCC(C(=O)NCC2CCC[NH+]2CC)C1,0
+CC(C)[NH+]1CCc2c(sc(NC(=O)C=Cc3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1,0
+Cc1ccc(C(=O)N2CCN(C(=O)C3CC3c3ccc4c(c3)OCO4)CC2)cc1C,0
+COC(=O)c1c(NC(=O)CN2C(=O)NC3(CCCCc4ccccc43)C2=O)sc2c1CCC(C)C2,0
+NC1(c2ccc(-c3nn4ccnc4cc3-c3ccccc3)cc2)CCC1,1
+CC1CCC2C(CCCN2C(=O)c2ccc(=O)n(C)c2)C1,0
+Cc1c(C(=O)NCC[NH+](C)C2CCCCC2)oc2ccc3c(c12)C(O)CC1(CCCCC1)O3,0
+CC(=NNC(=O)COc1ccc2cc(Br)ccc2c1Br)c1cc(O)ccc1O,0
+CC1CC(O)C(C=CC=Cc2cc3c(Cl)c(O)cc(O)c3c(=O)o2)O1,0
+Cc1sc2ncn(N=Cc3cccs3)c(=O)c2c1C,0
+CCOc1cc(C=NNC(=S)Nc2c(C)cccc2C)cc(Br)c1OCC(N)=O,0
+OCC(O)C(O)C(O)C(O)C1N2CC3(c4ccccc4)C[NH+]1CC(c1ccccc1)(C2)C3O,0
+Cc1ccc(Nc2nc(NN=Cc3ccc(Cl)cc3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1C,0
+Cc1c(Cc2ccccc2)c(=O)oc2c(C[NH2+]CC(C)O)c(O)ccc12,0
+Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCCC2CC(C)CCC21,0
+CC(NS(=O)(=O)c1ccc(Br)cc1)C(c1cccs1)[NH+]1CCN(c2ccccc2)CC1,0
+COc1ccc(C2C3[NH+]=c4ccccc4=C3CCN2C(=O)Nc2ccc(Br)cc2)cc1,0
+CC[NH+](CC)CCCn1cnc2c(c1=[NH2+])C(c1ccc(C)cc1)c1ccc(O)cc1O2,0
+Cc1cc(S(N)(=O)=O)cc(NC(=O)C[NH2+]C(C)c2ccc(Cl)cc2Cl)c1C,0
+O=c1cc(NCCC[NH2+]Cc2cc(Br)cc(Br)c2)[nH]c2sccc12,0
+CCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C3C=c4ccccc4=[NH+]3)c2)cc1,0
+N=C(NC(=NO)c1nonc1N)c1ccccc1,1
+CCC(CC)C(=O)N1CC(C(=O)NC(C)CCCC(C)(C)O)C2(CC[NH2+]CC2)C1,0
+NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1csc2ccccc12,1
+COc1ccc(-c2cc3c(C)nc(N)nc3n(C3CCC(OCO)CC3)c2=O)cn1,1
+O=C(NCCC1=c2ccccc2=[NH+]C1)c1ccc(C2Nc3ccccc3S(=O)(=O)N2)cc1,0
+CCCCCCc1cc2cc(C(=O)Nc3ccccc3)c(=[NH+]NC(=O)c3ccccc3)oc2cc1O,0
+CC[NH+]1CCc2c(sc(NC(=O)C3CCCCN3S(=O)(=O)c3cccs3)c2C(N)=O)C1,0
+NC1(c2ccc(-c3nc4cc(-c5cc[nH]n5)ccn4c3-c3ccccc3)cc2)CCC1,1
+COc1cc(C2NC(=O)c3sc4nc(C)cc(C)c4c3N2)cc(O)c1O,0
+Cc1cc(C[NH+](C)CC(=O)Nc2sccc2C(N)=O)cc(C)c1OCC(F)(F)F,0
+CC(C)c1c[nH+]c2c(c1NOCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c(=O)n(C)c(=O)n2C,0
+Cc1cc(S(=O)(=O)NC(C)C[NH+]2CCCC2)cc(N)c1C,0
+Cl.Nc1ncccc1-c1nc2ccc(-c3cccnc3)nc2n1-c1ccc(C2(N)CCC2)cc1,1
+Nc1ncccc1-c1nc2ccc(Nc3ccc(N4CCOCC4)cc3)nc2n1-c1ccc(C2(N)CCC2)cc1,1
+CCCC(C)([NH3+])C(=O)Nc1ccc(Br)cc1Br,0
+CCOC(=O)c1c(NC(=O)C(C)Oc2cc(C)c(Cl)c(C)c2)sc2c1CCC(C)C2,0
+N#CC1=C(N)OC2=NN=C(c3ccccn3)C2C1c1ccccc1F,0
+Cc1[nH+]ccn1CCN1CCN(c2ccc(N)[nH+]c2)CC1,0
+CCCC(C)([NH3+])C(=O)Nc1ccc(C)cc1Br,0
+O=C(NCCc1ccccc1F)C1CC(NCc2cccc(O)c2)C[NH+]1Cc1cccc(Cl)c1,0
+O=C(CCC1CNC(=O)C2CC(NC(=S)Nc3ccccc3)C[NH+]12)Nc1ccccc1,0
+CCN(C)C(=O)C(C)Sc1n[nH]c(NN=Cc2cc(Br)c(O)c(Br)c2)n1,0
+C[NH+]1CCCC(CNS(=O)(=O)c2cc(N)ccc2Cl)C1,0
+NC(=O)C(NCC1CCC[NH+](Cc2cccs2)C1)c1ccc(F)cc1,0
+CN(C)CCN1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC1,1
+CC[NH+](CC)Cc1ccccc1NC(=O)NCc1cccc(C(=O)NC(C)C)c1,0
+NC(=S)C1(C(=O)NC2CC[NH+](C3CC3)C2)CCCCCC1,0
+C[NH+](CCOc1ccc(Cl)cc1)CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1,0
+O=C(CCCN1NNc2ccccc2C1=O)NCCC1=c2cc(Cl)ccc2=[NH+]C1,0
+c1ccc(-c2cc(C3CCN(Cc4ccc(-c5nc6ncccc6cc5-c5ccccc5)cc4)CC3)n[nH]2)cc1,1
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2c(N3CCOCC3)cccc21,1
+O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1,0
+CC1(C)CC2CC(C)(C[NH+]2CCC(O)c2ccc(N)cc2)C1,0
+COc1ccc(C2CCC[NH+]2CC(=O)Nc2sccc2C(N)=O)cc1,0
+COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)C2C=c3ccccc3=[NH+]2)CC1,0
+CC(=O)[NH+]=c1ccc2c(COC(=O)c3nc(Cl)c(Cl)c(N)c3Cl)cc(O)oc-2c1,0
+C=CCOc1c(Br)cc(C2NC(=[NH2+])Nc3nc4ccccc4n32)cc1OCC,0
+Cc1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(C[NH2+]C3CCCCC3)cc12,0
+Cc1ccc(C(=O)NC(C(=O)Nc2sccc2C(N)=O)C(C)C)cc1,0
+Nc1nc(=O)n2ccn(C3OC(CO)C(O)C3O)c2[nH+]1,0
+Cc1ccc2nc(NC(=[NH2+])NC(=S)Nc3cccc(Cl)c3C)nc(C)c2c1,0
+CC(C)(C)CC(C)(C)NC(=O)C(c1c(O)cc(O)cc1O)N(C(=O)CCl)c1cccc(Cl)c1,0
+CC(c1nnc(SCCC(=O)NC(N)=O)n1-c1ccc(F)cc1)[NH+]1CCCCC1,0
+NN1C(SCC2[NH+]=c3ccccc3=[NH+]2)=NNC1c1cccc(Cl)c1,0
+Cc1ccc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4C#N)CC3)n2)cc1F,1
+CN1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C(c2ccccc2)C1,0
+O=C([O-])C[NH+]1CCCN(C(=O)NCCn2cc[nH+]c2)CC1,0
+Nc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12,1
+CC1CCC(CNC(=O)CCc2csc(N)n2)([NH+]2CCCCC2)CC1,0
+C[NH+](CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)Cc1ccccc1F,0
+CC(=O)Nc1sc(C(C#N)=Cc2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)nc1-c1ccc(C)cc1,0
+c1ccc2c(c1)CCOC2C[NH2+]C1CCN(c2ccc(-c3ccn[nH]3)cc2)CC1,0
+CC1(C)C2CC=C(C[NH+](CCCc3ccccc3)CCN3CCN(C(=O)NC4CCCCC4)CC3)C1C2,0
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,1
+CNC(=O)NC(=O)C(C)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1,0
+CC[NH+](CC)C(CNC(=O)C(=O)Nc1sccc1C(N)=O)c1ccco1,0
+Cn1cc[nH+]c1N(CC(N)=O)Cc1ccc(N)cc1,0
+CCC([NH3+])C(c1ccccc1Br)N1CCCC1C[NH+](C)C,0
+O=C(NC(c1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccccc2)CC1)c1ccc2cnccc2c1,1
+CC([NH3+])C(c1ccc(Cl)s1)N(C)Cc1cc(Br)cs1,0
+Cc1c[nH+]c(C2C(c3ccccc3)NCN2C(CO)c2ccccc2)[nH]1,0
+Cc1ccc(C=NNC(=O)CCCSc2nnc(-c3ccccc3Br)n2N)cc1,0
+COc1ccc(C2=NC(c3ccccc3C)[NH2+]C(c3ccccc3O)C2)cc1,0
+CC(Sc1nnc(C(C)[NH+](C)C)n1-c1ccc(Cl)cc1)C(=O)Nc1ccccc1C(C)C,0
+COc1ccc2c(c1)=C(CCNC(=O)c1cnn3c(C(F)F)cc(-c4ccccc4OC)nc13)C[NH+]=2,0
+[NH3+]C1CCCC1NS(=O)(=O)c1ccc(Br)s1,0
+CC1CN(c2ccc(CNC(=O)NCC3CC[NH+](C(C)C)C3)c[nH+]2)CC(C)O1,0
+[NH3+]Cc1ccccc1CS(=O)(=O)NC1CCCCCCC1,0
+Cn1c(=O)c2[nH]c(SCCNC3=[NH+]CCN3)nc2n(C)c1=O,0
+NC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCO)CC1,1
+NC(=O)c1c(NC(=O)C[NH+]2CCN(CCOc3ccc(Cl)cc3)CC2)sc2c1CCCC2,0
+OC(C[NH2+]CCNc1ccc(C(F)(F)F)c[nH+]1)Cn1ccc2ccccc21,0
+Cc1ccc(C2CC(=NO)C(O)C(c3ccc(C)cc3)[NH2+]2)cc1,0
+COc1ccc(C(NC(=O)NCC(O)C[NH+]2CCC(C)CC2)C2CC2)cc1,0
+CCC[NH+]1Cc2cccc(NC(=O)CNC(=O)c3cc4c(s3)CCCC4)c2C1,0
+CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)C3c2cccc(OCCC(C)C)c2)cc1,0
+Cc1cc2nc(N(CC[NH+](C)C)C(=O)c3ccccc3NS(=O)(=O)c3ccccc3)sc2cc1C,0
+CCOc1ccc(NC(=S)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1,0
+CC(c1ccccc1Cl)[NH+](CC(=O)Nc1sccc1C(N)=O)C1CC1,0
+CCC(C)C(=O)N1CC(C(=O)NCC2COC(C)(C)O2)C2(CC[NH2+]CC2)C1,0
+CCN(CC)c1ccc(NC(=O)CC2CSc3nc4c(cnn4-c4ccc(C)cc4C)c(=O)n32)c(C)c1,0
+CC(C)(C)c1ccc(CC2(N)CCN(c3ccnc4[nH]ncc34)CC2)cc1,1
+CCCCC(C)C(=O)N1CC(C(=O)NCc2cc(Br)ccc2F)C2(CC[NH2+]CC2)C1,0
+Cc1cc2c3c([nH]c2cc1S(=O)(=O)NCC[NH+](Cc1ccco1)C1CCCC1)CCCC3=O,0
+CC(C)NC(=O)Nc1ccc(CNC(=O)C[NH+]2C(C)CCCC2C)cc1,0
+COc1cc2c(cc1OC)C(c1ccc(N)cc1)C1CCC[NH2+]C21,0
+COC(=O)Nc1ccc(NC(=O)NCC(c2ccc(C)cc2)[NH+]2CCCC2)cc1,0
+CC(C)(C)OC(=O)NCCNC(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1,0
+Cc1[nH]ncc1CCC[NH2+]C(C)c1ccc(I)cc1,0
+Cc1ccc(NC(=O)C[NH+](C)Cc2nc(N)c3c4c(sc3n2)CCCC4)cc1,0
+NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1,1
+Cc1cc(-c2cn(CCNCC3CC3)c(C3CCN(c4ncnc(N)c4C#N)CC3)n2)ccc1F,1
+NC(=O)C[NH+]1CCCN(C(=O)c2ccccc2Nc2ccccc2)CC1,0
+O=S(=O)(Oc1ccccc1)C1CN(c2ccc(O)cc2-c2ccccc2O)CC[NH2+]1,0
+NC(CNc1nnc(-c2ccc3cnccc3c2)s1)Cc1ccc(C(F)(F)F)cc1,1
+CC(C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[NH+]1CCN(S(=O)(=O)N2CCCCCC2)CC1,0
+CC1CCN(S(=O)(=O)c2ccc(NN=C(C#N)C(N)=O)cc2)CC1,0
+CCc1ccc(C(C)NC(=O)C2CN(C(=O)c3cc(C)oc3C(F)(F)F)CC23CC[NH2+]CC3)cc1,0
+CS(=O)(=O)c1nc2nc(-c3ccc(CN4CCC(c5n[nH]c(-c6ccccn6)n5)CC4)cc3)c(-c3ccccc3)cn2n1,1
+CC(C(=O)Nc1sc2c(c1C(N)=O)CCC2)[NH+](C)CCCOc1ccccc1,0
+O=C(c1cc2n(n1)C(C(F)(F)F)CC(c1ccco1)N2)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1,0
+CCOC(=O)C(CC1=c2ccccc2=[NH+]C1)NC(=O)CCC(=O)Nc1ccc(S(N)(=O)=O)cc1,0
+O=C(NCC[NH+]1CCCCC1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1,0
+CC[NH+](CC(=O)NC(=O)Nc1ccccc1C#N)CC(=O)Nc1ccccc1OC,0
+COC1CCCC1Nc1c(N)c[nH+]c2ccc(Br)cc12,0
+CC(C)[NH2+]CC1OC(CO)C(O)C1N1CCN(c2ncccn2)CC1,0
+CNC(=O)C1CN(C(=O)CSC(N)=[NH+]C2CCCCC2)c2ccccc2O1,0
+N#Cc1cc(-c2ccccc2)c(-c2ccc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2)nc1Cl,1
+C[NH+](C)C(CNC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)c1cccs1,0
+COc1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)nc(OC)n1,1
+CSCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)NCCC[NH+]1CCCCC1C,0
+CC(C)CCCC1(C)CCc2cc(O)cc(O)c2O1,1
+NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1,0
+CCN(CC)c1ccc2cc(C(N)=S)c(=[NH+]c3ccc(Cl)cc3Cl)oc2c1,0
+CCN1CCCC1C[NH2+]Cc1cc(Br)c(OCc2c(Cl)cccc2Cl)c(OC)c1,0
+CC(C)CC(NC(=O)C1Cc2ccccc2C[NH2+]1)C(=O)NC1CCCC1,0
+Cc1ccc(-c2nnc(SCC(=O)N(C)C3CCS(=O)(=O)C3)n2CCC(=O)[O-])cc1,0
+O=C1c2oc3ccc(Br)cc3c(=O)c2C(c2ccccc2F)N1c1nncs1,0
+C[NH+]1CCN(NC(=O)C(=O)NCCN2CCOCC2)CC1,0
+CCC(C)NC(=O)CN1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1ccccc1F,1
+CC(CN(C)Cc1ccc(F)cc1Br)C(N)=[NH2+],0
+CC(C(=O)Nc1sc2c(c1C(N)=O)CCC2)[NH+]1CC=C(c2ccc(O)cc2)CC1,0
+CCCCN(C(=O)C[NH+](C)C(C)c1ccc(Cl)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O,0
+NC1(c2ccc(-c3nc4c5cccc(O)c5nn4cc3-c3ccccc3)cc2)CCC1,1
+CC(C)c1ccc(NC(=O)N2CC[NH+](CCN(Cc3ccc(F)cc3)C(=O)c3ccco3)CC2)cc1,0
+Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)c2cc(C)cc(C)c2)cc1,0
+C[NH+](C)CCNC(=O)C1CN(C(=O)C2CC=CCC2)CC12CC[NH2+]CC2,0
+O=C(NCCN1CCOCC1)C1CN(C(=O)CCCc2ccccc2)CC12CC[NH2+]CC2,0
+Cc1ccc(C(CNC(=O)NNC(=O)c2ccccc2O)[NH+]2CCCC2)cc1,0
+COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[NH+]2Cc3ccccc3CC2C(N)=O)cc1,0
+CSCCC1[NH2+]C2(C(=O)Nc3c(C)cc(C)cc32)C2C(=O)N(CCc3ccccc3)C(=O)C12,0
+C[NH+](Cc1ccccc1N1CCCCC1)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O,0
+O=C(CC1[NH2+]C2CCCCC2NC1=O)Nc1ccc(F)c(Cl)c1,0
+CC(CC(N)=[NH2+])N1CCOC2CCCCC21,0
+CC1CCCC(CNC(=O)NNC(=O)C(=O)NC2CC2)([NH+](C)C)C1,0
+S=C(NCc1ccc2c(c1)=C1CCCCC1[NH+]=2)Nc1cccc(Cl)c1,0
+CC1CCN(S(=O)(=O)c2cccc(-c3csc(=[NH+]c4ccccc4)n3CCN3CCOCC3)c2)CC1,0
+COc1ccc2c(c1)=C1CCN(C(=O)Nc3ccccc3Br)C(c3ccc(F)cc3)C1[NH+]=2,0
+CC12C(=O)N(c3ccccc3)C(=O)C1C(c1ccccc1)N1CCCN12,0
+COc1cc(OC)c(NC2[NH+]=c3ccccc3=[NH+]C2=NS(=O)(=O)c2ccc(F)cc2)cc1Cl,0
+c1ccc(-c2nnc(C3CCN(Cc4ccc(-c5nnc6n5-c5ccccc5Nc5ccccc5-6)cc4)CC3)[nH]2)nc1,1
+CC(C)C([NH2+]CC1(c2cccc(Cl)c2)CCOCC1)C(=O)NC(C)(C)C,0
+O=C(NNc1ccc(F)cc1Br)Nc1ccc(N2CCCC2)[nH+]c1,0
+c1ccc(C2NCN(CCSc3ccccn3)C2c2[nH]cc[nH+]2)cc1,0
+O=S(=O)(N=C1N=C2C=CC=CN2Cc2ccccc21)c1ccccc1,0
+CC[NH+](CC)CCNC(=O)C1CN(C(=O)C2CCOCC2)CC12CC[NH2+]CC2,0
+CCCCC(C)C(=O)N1CC(C(=O)NCc2nc3ccccc3c(=O)[nH]2)C2(CC[NH2+]CC2)C1,0
+[NH3+]C1CC2CCC(C1)N2S(=O)(=O)C1CCCCC1,0
+CCOC(=O)c1sc2nc(NC(=O)c3ccc(S(=O)(=O)N4CC(C)CC(C)C4)cc3)sc2c1C,0
+CCCOc1ccc(N2C(=O)CC([NH+]3CCC(CC[NH+]4CCC(CC)CC4)CC3)C2=O)cc1,0
+CC(C)Cn1c(N2CC[NH+](CC(=O)Nc3cccc4ccccc34)CC2)nc2sc3c(c2c1=O)CCCC3,0
+O=C(NCCn1cc[nH+]c1)NNC(=O)C(=O)NC1CC1,0
+CC([NH3+])C(Sc1n[nH]c(=O)n1C1CC1)c1cc(Br)cs1,0
+O=c1[nH]ccc2nc(-c3ccc(CN4CCC(c5nnc(-c6ncccn6)[nH]5)CC4)cc3)c(-c3ccccc3)cc12,1
+COc1ccc(C(C(C)[NH3+])n2nc(C)c(Br)c2C)cc1,0
+CCC(N)C(c1ccc(Br)s1)[NH+](CCO)C1CCCCC1,0
+Cl.Cn1nccc1-c1ccc(C(=O)NC2CNCCC2c2ccc(F)c(F)c2)c(Cl)c1,1
+NC(=O)C1Cc2ccccc2C[NH+]1CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1,0
+Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2c1C(=NNC(N)=[NH2+])CCC2,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)c2ccc(Br)cc2)CC12CC[NH2+]CC2,0
+CCC[NH2+]C(C)(CCCn1nc(C)c(Br)c1C)C(N)=O,0
+Cn1nnc(-c2ccc3nc(-c4ccccc4)c(-c4ccc(CN5CCC(n6c(O)nc7ccccc76)CC5)cc4)nc3c2)n1,1
+CCC(C)NC(=O)C(C)NC(=O)NCCc1[nH+]ccn1C,0
+CC(C)c1ccccc1NC(=O)NC(C)c1ccc(N2CC[NH+](C)CC2)cc1,0
+C=CCC1(O)C(C)C(c2ccc(N(C)C)cc2)[NH2+]C(c2ccc(N(C)C)cc2)C1C,0
+CCOC(=O)C1=C(C[NH+]2CCCN(C(=O)c3ccco3)CC2)N(CC)C(=O)NC1c1ccc(Cl)cc1,0
+CC(C)(N)c1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1,1
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1cccc2ccccc12,1
+CC(C)(C)CC(C)(C)NC(=O)C(c1ccc(O)cc1)N(C(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)C,0
+CN(C)C1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC1,1
+Cc1noc(-c2cc(NCCN3CCCC3)c(C)c(N3CCN(c4ncnc5[nH]nc(Br)c45)CC3)c2)n1,1
+O=c1c(C[NH2+]C(c2ccccc2)c2ccccc2)cc2cc3c(cc2n1Cc1cccc(F)c1)OCO3,0
+COc1cccc(C(=O)N2CCC3(C2)Nc2cccnc2NC3=[NH+]C(C)(C)C)c1OC,0
+O=C(NNC(=O)c1ccco1)Nc1ccccc1F,0
+CC1CCCC(CO)([NH2+]Cc2ccc(O)c(Br)c2)C1,0
+CCCC[NH+]1Cc2cccc(NC(=O)C(=O)NCc3cc[nH+]c(N(C)C)c3)c2C1,0
+CC([NH2+]C1CCCCCCC1)c1ccc(S(N)(=O)=O)cc1,0
+O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4ccc(-c5nn[nH]n5)cc4nc3-c3ccccc3)cc2)CC1,1
+c1ccc(-c2cc3cccnc3nc2-c2ccc(CN3CCC(c4cc(-c5cccnc5)[nH]n4)CC3)cc2)cc1,1
+S=C1NNC(c2cccnc2)N1N=CC1=c2ccccc2=[NH+]C1,0
+CCC[NH2+]Cc1cc(Br)c(OC2CCCC2O)c(OC)c1,0
+NC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,1
+C[NH+](C)Cc1cccc(NC(=O)C(=O)NCC2(O)CCCc3ccccc32)c1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1c2ccccc2CC1C1CC1,1
+Cc1ccc2c(c1)SC(NC(=O)C(CC1=c3ccccc3=[NH+]C1)NC(=O)OCc1ccccc1)N2,0
+Cc1cc(-c2ccc3nn4cc(-c5ccccc5)c(-c5ccc(C6(N)CCC6)cc5)nc4c3c2)[nH]n1,1
+CCOc1nc(C(=O)NCc2ccccc2S(N)(=O)=O)cc(N)c1C#N,1
+O=C(CSc1n[nH]c(NN=C2CCCCC2)n1)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1,0
+O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(F)cccc12,1
+CCOc1cc(C2NC(N)=[NH+]c3nc4cc5c(cc4n32)OCCCO5)cc(Cl)c1OC,0
+C[NH+](C)CCCCNC(=O)C1CN(C(=O)c2cc(Cl)cc(Cl)c2)CC12CC[NH2+]CC2,0
+CCOc1ccc2c(c1)n(C[NH+]1CCCC(O)C1)c(=S)n2C[NH+]1CCCC(O)C1,0
+CCOC(=O)N1CCC(NC(=O)C[NH+]2CCCCC2C(N)=O)CC1,0
+Nc1cc(=O)[nH+]c(SCC(=O)NCc2ccccc2)n1CCc1ccccc1,0
+NC(CNc1ncc(-c2ccc3nnn(N)c3c2)s1)Cc1ccc(C(F)(F)F)cc1,1
+CCC1CCCCC1NC(=O)NC(C)(C)C(=O)[O-],0
+Cc1cc(N2CCC(C)CC2)[nH+]c2ccc(NC(=O)CCC(=O)N3CCN(c4cccc(Cl)c4)CC3)cc12,0
+C=CC[NH2+]CC(=O)Nc1ccc(C(=O)NC(C)c2ccccc2)cc1,0
+NC(=NO)c1ccc(-c2ccc(-c3ccc(C(=[NH2+])NO)cc3)o2)cn1,0
+CCC(CC)(C(=O)NCCC[NH+]1CCCCC1C)C(N)=S,0
+CC1(C)CC(NC(=O)C2Cc3c([nH]c4ccccc34)C3c4ccccc4C(=O)N23)CC(C)(C)[NH2+]1,0
+CC(C)CNC(=O)C[NH+](CC(=O)NCC(C)C)C(C)c1ccc(S(N)(=O)=O)cc1,0
+COc1cc2c(cc1OC)C(O)CC(C[NH3+])C2,0
+CCCCC(C)C(=O)N1CC(C(=O)NCc2cc(C)cc(C)c2)C2(CC[NH2+]CC2)C1,0
+COc1cc(C[NH2+]Cc2ccc(Br)s2)cc(Br)c1O,0
+CCc1ccccc1NC(=O)C[NH+](C)CC(=O)NC(=O)Nc1cccc(C)c1C,0
+CCOC(=O)C1=C(C[NH+]2CCCN(C(=O)C3CCCC3)CC2)N(CC)C(=O)NC1c1ccc(C(C)C)cc1,0
+C=CCOC(=O)C1C(c2ccc(C(C)(C)C)cc2)C(C(=O)OCC=C)C2(CC1(C)O)NNC(=S)N2,0
+O=C(NCCc1ccc(O)cc1)C1CSCC(c2ccc(F)cc2)[NH2+]1,0
+CC(O)(C[NH2+]Cc1ccc(Cl)cc1)CSc1ccc(Cl)cc1,0
+NC(=O)C=Cc1cnc2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nn12,1
+Cc1c(C(N)=O)cc(-c2ccc3c(c2)OCCCO3)n1C(C)C(=O)NCC[NH+](C)C,0
+COc1ccc(C2=CC(C(=O)NCCC3=c4ccccc4=[NH+]C3)NN2)cc1,0
+Cc1cccc(-n2c(C(C)N(CC[NH+](C)C)C(=O)Nc3ccc(Cl)cc3)nc3ccccc3c2=O)c1,0
+N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc4[nH]ncc4c3)cn2CCN2CCC2)CC1,1
+COc1cc(-c2ccc3c(c2)nn2cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nc32)ccc1F,1
+CCN(CC)C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,1
+CSNCC(c1ccc(S(=O)(=O)Oc2ccccc2)cc1)N1CC[NH2+]C(O)C1,0
+Cc1ccc(C(C(=O)NCC2CCCO2)N(C(=O)c2snc(C(N)=O)c2N)c2cccc(C)c2C)cc1,0
+COc1ccc(Br)cc1C=C1Oc2c(C[NH+]3CC(C)CC(C)C3)c(O)cc(C)c2C1=O,0
+Cc1ccccc1-c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCCc2ccccc2)o1,0
+NC(COc1cncc(-c2ccc3[nH]nc(-c4nccs4)c3c2)c1)Cc1c[nH]c2ccccc12,1
+C[NH2+]C(C)c1ccc(NC(=O)Nc2ccc(I)cc2)cc1,0
+Nc1cc(C=Cc2cncc(OCC(N)Cc3c[nH]c4ccccc34)c2)ccn1,1
+O=C(NC(CC1=c2ccccc2=[NH+]C1)C(=O)NCc1cccc(Cl)c1)OCc1ccccc1,0
+OCC(O)Cn1cc(C[NH+]2CCC(O)(c3ccccc3F)CC2)c2ccccc21,0
+COc1ccc(C2=NN(C(=O)C[NH+]3CCC4(CC3)OCCO4)C(c3ccc(OC)cc3OC)C2)c(OC)c1,0
+Cc1cc2c(c3c1C(=O)C(=Cc1ccc4c(c1)OCO4)O3)CN(Cc1cccs1)CO2,0
+Cc1nc(-c2ccc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2)c(-c2ccccc2)[nH]c1=O,1
+CC(C)CCCC(C)NC(=O)C1C[NH2+]CC1C(=O)NCC(=O)c1ccccc1,0
+CC(C(=O)NC(=O)NC(C)(C)C)[NH+]1CCN(S(=O)(=O)c2ccc(Br)s2)CC1,0
+Cc1nnc(-c2ccccc2Nc2ncnc3[nH]ccc23)[nH]1,1
+CCN(CC)c1ccc(C2Nc3ccc(S(=O)(=O)N(C)c4ccccc4)cc3C3C=CCC32)cc1,0
+Cc1ccc(NC(=O)c2c(Nc3ccc(C)cc3)sc3c(-c4ccc(C)cc4)c(C#N)c(N)nc23)cc1,0
+Cc1c(C[NH2+]CC2COc3ccccc3O2)c2ccccc2n1CC(N)=O,0
+NC(=[NH2+])c1ccccc1COc1c(Br)cc(Br)cc1Br,0
+NC(CNc1ncc(-c2ccc3cncnc3c2)s1)Cc1ccc(C(F)(F)F)cc1,1
+c1ccc2c(c1)Nc1ncccc1-n1c(-c3ccc(CN4CCC(c5nnc(-c6ccncc6)[nH]5)CC4)cc3)nnc1-2,1
+CC1CN(S(=O)(=O)CCNC(N)=[NH+]CC2CCCO2)CC(C)O1,0
+C[NH+](Cc1cc(Br)cs1)Cc1cc2ccccc2nc1N,0
+COc1cccc(Sc2nnc(C)c(C)c2C(N)=NO)c1,0
+Cc1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1,0
+Cc1ccc(Cl)cc1Nc1[nH+]cnc(N(C)c2ccccc2)c1N,0
+CC(C)Oc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(Cl)c3)cn2CCN2CCCC2)CC1,1
+Cc1ccc(N2CCN(C(=O)COc3ccc(-c4nc5ccccc5s4)cc3C[NH+](C)C)CC2)c(C)c1,0
+CCCCC(CC)C(=O)N(c1cccc(Cl)c1)C(C(=O)NC(C)(C)C)c1c(O)cc(O)cc1O,0
+C[NH+]1CCCC(CNC(=O)NCCCc2cccc(Br)c2)C1,0
+NC(=O)c1ccsc1NC(=O)CN1CC=C(C2=c3ccccc3=[NH+]C2)CC1,0
+CCc1nc(C[NH+]2CCC(C3NNC4CCCCCN43)CC2)c(C)[nH]1,0
+O=C(NC(c1ccc(Cl)c(Cl)c1)C1CNC1)c1ccc2cnccc2c1,1
+Nc1c[nH+]ccc1N1CCN(C(=O)c2cccs2)CC1,0
+COc1ccc2cc(C(=O)Nc3ccccc3)c(=[NH+]c3ccc(S(N)(=O)=O)cc3)oc2c1,0
+CC[NH+](C)CCNC(=O)NNC(=O)c1ccc(-n2c(C)ccc2C)cc1,0
+c1ccc(-c2cc3ncccc3nc2-c2ccc(CN3CCC(c4n[nH]c(-c5ccccn5)n4)CC3)cc2)cc1,1
+N=C(c1ccccc1)n1c(=N)ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)cc21,1
+NS(=O)(=O)c1ccc(NC(=O)C(SC2=NC3[NH+]=c4ccccc4=C3N=N2)c2ccccc2)cc1,0
+Cc1ccc(C[NH+](C)CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)c1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1ccc(F)cc1,1
+CC1CCN(c2ccc(C(=O)NC(=S)Nc3cccc(Cl)c3N3CC[NH+](C)CC3)cc2[N+](=O)[O-])CC1,0
+CCC(=O)N1CCN(CC(=O)Nc2cc(-c3nn4c(C)nnc4s3)cc(Cl)c2OC)CC1,0
+Cc1ccc(C=C2SC(=O)N(c3ccccc3C)C2=O)o1,0
+CCC1CN(c2cc(=O)[nH]c(CC(=O)Nc3ccc(F)cc3)n2)CCO1,1
+CC1CC(CC(=O)N2CCC3(CC2)NC(=O)NC3=O)CC(C)(C)C1,0
+CC(Oc1ccc(C[NH2+]C2CC2)cc1Br)C(N)=O,0
+NC(=O)C1([NH+]2CCCCC2)CCN(C(=S)NC2CCCC2)CC1,0
+N=C(c1ccccc1)n1c(=N)ccc2nc(-c3ccc(C4(N)CC(F)(F)C4)cc3)c(-c3ccccc3)cc21,1
+CC([NH2+]C(C)c1cccc(Cl)c1)C(=O)Nc1c(F)cccc1F,0
+O=C(NC1=NC2=[NH+]C(c3ccc(Cl)cc3)=CC(c3ccc(Cl)cc3)N2N1)c1cccnc1,0
+CCCCCCCCCCCCc1ccc(S(=O)(=O)Nc2nncs2)cc1,1
+CC([NH2+]C(C)c1ccc2c(c1)OCO2)C(=O)Nc1cc(Cl)ccc1Cl,0
+CCC(C)[NH+]=C(N)SCc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1,0
+CCCN(CC(F)(F)F)C(c1cc(Br)cs1)C(C)[NH3+],0
+COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)C(C)Sc2ccc(C)cc2)c1,0
+NS(=O)(=O)c1ccc(CCN2C(=O)CCC2CC[NH2+]CCOc2ccc(F)cc2)cc1,0
+NS(=O)(=O)c1ccc(NCCCCNc2cccc[nH+]2)c([N+](=O)[O-])c1,0
+CC1CCCCC1[NH2+]CC(O)Cn1c2c(c3cccc(Cl)c31)CCCC2,0
+CC1(C)CC(NC(=O)COc2ccc(C(C)(C)C)cc2Br)CC(C)(C)[NH2+]1,0
+COc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)C(C)Oc1ccccc1F,0
+CC(C)c1ccc(CC(CN)C(=O)N2CCN(c3ncnc4[nH]ccc34)CC2)cc1,1
+COc1ccc(C=CC(=O)C(=Cc2ccc(OC)c(O)c2)C(=O)C=Cc2ccc(OC)cc2OC)c(OC)c1,1
+Nc1c(Nc2nc3ccccc3s2)nc[nH+]c1NN(c1ccccc1)c1ccccc1,0
+Nc1nn(CCc2c[nH]cn2)c2nc(-c3ccc(CN4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)c(-c3ccccc3)cc12,1
+Cc1cc(-c2cn(CC3CNC3)c(C3CCC(c4ncnc(N)c4C(C)C)CC3)n2)ccc1F,1
+O=C(NCC1(N2CCOCC2)CCCCC1)C1CN(C(=O)c2ccc(-c3ccccc3)o2)CC12CC[NH2+]CC2,0
+O=C(CC1=c2ccccc2=[NH+]C1)NCc1cc([N+](=O)[O-])ccc1O,0
+O=C(CSc1nc(N2CC[NH+](CC(=O)N3CCCC3)CC2)c2c3c(sc2n1)CCC3)N1CCCC1,0
+O=C(Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1cccc(F)c1,1
+CCOc1ccc(NC(C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N(C)C,0
+CSCCC1[NH2+]C2(C(=O)Nc3c(Cl)cccc32)C2C(=O)N(CCc3ccccc3)C(=O)C12,0
+CCC[NH+](CCC(=O)NC(N)=O)CC(=O)Nc1ccc(F)c(F)c1F,0
+N#Cc1c(NC(=O)Nc2ccccc2F)sc2c1CC[NH2+]C2,0
+NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3nccnc3-4)cc2)CC(O)(C2CC2)C1,1
+Nc1cc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CCN3CCCC3)CC2)ncn1,1
+CCC([NH3+])C(Oc1ccc(I)cc1)c1sccc1C,0
+Cc1n[nH]c2ccc(-c3cc(OCC(N)Cc4ccccc4)cnc3-c3ccco3)cc12,1
+CCOC(O)CNC(S)N(N)c1ncc(C(F)(F)F)cc1Cl,0
+Cc1cc(=O)oc2cc(OCc3ccc(C(=O)NCC(c4cccs4)[NH+]4CCCC4)cc3)ccc12,0
+CCC(C)c1ccccc1OCc1ccc(C(N)=[NH2+])cc1F,0
+CCN(c1ccccc1)c1[nH+]cnc(Nc2ccc(Br)cn2)c1N,0
+C=CCOc1cccc(C(Nc2cccc(C)[nH+]2)c2ccc3ccc(C)nc3c2O)c1,0
+O=C(c1cc2ncc(Br)cn2n1)N1CCc2ccccc2C1,0
+COc1cccc2cc(C(=O)Nc3ccccc3)c(=[NH+]c3ccc(S(N)(=O)=O)cc3)oc12,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)c2c(F)cccc2F)CC12CC[NH2+]CC2,0
+Cc1n[nH]c2cnc(-c3cncc(OCC(N)Cc4cccc(OCCN)c4)c3)cc12,1
+CCCCCCC(=O)N1CC(C(=O)NCC2CN(Cc3ccccc3)CCO2)C2(CC[NH2+]CC2)C1,0
+CS(=O)(=O)c1ccc(Sc2ccc(C(N)=[NH2+])cc2F)cc1,0
+Cc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CC(C)CC(C)C4)cc3)sc2c1,0
+NC(=O)COc1c(Br)cc(C[NH2+]C2CCCCCCC2)cc1Br,0
+CSCCC([NH3+])C(=O)NC(C)c1ccc2c(c1)CCCC2,0
+COc1ccc(C(CNC(=O)c2ccccc2SCC2(C)NC(=O)NC2=O)[NH+]2CCCCC2)cc1,0
+CC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+](C)CC1COc2ccccc2O1,0
+Cc1ccc(C(C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)c2c(O)cccc2O)c(C)c1,0
+CC(C(=O)Nc1ccccc1Sc1ccc(Cl)cc1)[NH+](C)Cc1nc2ccccc2c(=O)[nH]1,0
+Cl.Nc1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)c1,1
+O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCC[NH+]=Cc1cc(Cl)cc(Cl)c1O,0
+CC([NH2+]CC1(c2ccc(F)cc2)CCOCC1)C(=O)NC(=O)NC1CCCC1,0
+Cc1ccc(NC(=S)NC2CC3CCCC(C2)[NH+]3Cc2cccs2)cc1,0
+Cc1cccc(C2NNC(SCC3[NH+]=c4ccccc4=[NH+]3)N2Cc2ccco2)c1,0
+COc1ccc(S(=O)(=O)N(C)c2nccc(-c3ccc4nc(NC(C)=O)sc4c3)n2)cc1,1
+O=C(NCc1ccccc1C(F)(F)F)C1CC12CC[NH+](CC1C=NN=C1c1ccc(F)cc1)CC2,0
+Cc1ccc(Oc2ccccc2NC(=O)CSc2nnc(-c3ccc(OC(F)F)cc3)n2N)cc1,0
+O=C(CN1CC[NH+](Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1,0
+CC(C)Cn1c(O)c(C2[NH2+]CCc3c2[nH]c2ccccc32)c(=O)n(CC(C)C)c1=O,0
+C[NH+](CC(=O)NCc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1Br,0
+CC1CCCC[NH+]1C(C)CNC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O,0
+COc1cccc(N2C(SCC(=O)Nc3cc(C)ccc3C)=NNC2Cc2cc(=O)[nH]c(=O)[nH]2)c1,0
+Cc1ccc([NH+]=c2oc3ccc(Br)cc3cc2C(=O)NCC2CCCO2)cc1Cl,0
+Cc1ccc(S(=O)(=O)N[NH+]=c2oc3c(O)cc(C(C)(C)C)cc3cc2C(=O)Nc2ccc(F)cc2)cc1,0
+Cc1c(C(=O)NNC(=O)c2ccccc2)oc2c1C(=NNC(=S)Nc1ccccc1)CCC2,0
+[NH3+]CCn1cc(C(=O)N2CCc3[nH]nc(CC4CCCCC4)c3C2)nn1,0
+CC(=O)Nc1ccc(S(=O)(=O)NC(C)C(=O)Nc2nc(C3=c4ccccc4=[NH+]C3)cs2)cc1,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)C2CCC2)CC12CC[NH2+]CC2,0
+NC(Cc1cccc2ccccc12)C(=O)Nc1cncc(C=Cc2ccncc2)c1,1
+C[NH+]1CCCC(NCc2cc3c(cc2O)OCO3)C1,0
+CC(C)[NH+]1CCC(CNC(=O)NNC(=O)CCSc2ccc(F)cc2)C1,0
+CCc1cccc(CC)c1NC(=S)N(Cc1ccc(N(C)C)cc1)C1CC(C)(C)[NH2+]C(C)(C)C1,0
+C[NH+](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC(=O)NC1(C#N)CCCCC1,0
+O=C(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)Nc1ccccc1F,1
+Brc1cnc2nc(-c3ccc(CN4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)c(-c3ccccc3)cn12,1
+Cc1nc2nc(-c3ccc(CN4CC(c5nnc(-c6ccccn6)[nH]5)C4)cc3)c(-c3ccccc3)cn2n1,1
+CC(C)NC(=O)NC(=O)C(C)Nc1ccc(CC[NH+]2CCSCC2)cc1,0
+c1nc2c(c(NC3CC[NH2+]C4(CCC4)C3)n1)CCC2,0
+COc1ccc2[nH]cc(C3[NH2+]C(C(C)C)NN3c3ccccc3)c(=O)c2c1,0
+C[NH+](C)C(CNC(=O)NCC(O)c1ccc2ccccc2c1)c1ccco1,0
+Cc1ccc(C(NC(=S)Nc2ccccc2)=[NH+]C=C(Cl)Cl)cc1,0
+COc1ccc(C2N=C(c3ccccc3)CC(c3cc(Cl)ccc3O)[NH2+]2)cc1OC,0
+Cc1nn(C(N)=S)c2c1C(c1cccc(Cl)c1Cl)C(C#N)=C(N)O2,0
+COc1ccccc1NC(=S)NC1CC(C)(C)[NH2+]C(C)(C)C1,0
+COc1cc(NC(=S)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc(OC)c1OC,0
+CCOc1cc(C2N=C(O)c3c(sc4c3CC[NH+](C(C)C)C4)N2)ccc1OC(=O)c1ccccc1,0
+C[NH+](C)C(CNC(=O)NCC1(O)CCCc2ccccc21)c1ccsc1,0
+CCCOc1c(Br)cc(C2NC(=[NH2+])Nc3nc4ccccc4n32)cc1OC,0
+CC(Sc1nnc(C(C)[NH+](C)C)n1-c1ccc(Cl)cc1)C(=O)Nc1ccc(C(N)=O)cc1,0
+CC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)NCc1ccco1)C2=O,0
+CCCn1c(CCC(=O)NCC2([NH+](C)C)CCCCCC2)nc2cc(S(N)(=O)=O)ccc21,0
+COc1ccc(C(N)=[NH2+])c(OC)c1Oc1nc(Oc2cccc(N(C)C)c2)c(F)c(C)c1F,0
+CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCCCN)c21,1
+CN(C)c1ccc(C2=NOC(O)(C(F)(F)F)C2CC[NH3+])cc1,0
+NC(NCC1(c2ccc(Br)cc2)CCOCC1)=[NH+]Cc1ccco1,0
+CC(=O)Nc1cc(NC(=O)NCC(C)[NH+]2CCCC(C)C2)c(F)cc1F,0
+CNC(=S)N1N=C(C2C(=O)[NH+]=c3ccc(Cl)cc3=C2c2ccccc2)CC1c1ccc(OC)cc1,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)c2ccccc2Cl)CC12CC[NH2+]CC2,0
+NC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CC2CCCN2)CC1,1
+Cc1ccccc1-c1nc2ccc(-c3cccc(N4CCOCC4)c3)nc2n1-c1ccc(C2(N)CCC2)cc1,1
+COc1ccc(C2=CC(C3NNC(SCC(=O)Nc4ccccc4C(F)(F)F)N3N)N=N2)cc1,0
+Nc1ccc(S(=O)(=O)Nc2nncs2)cc1,1
+c1ccc(-c2cn3ccnc3nc2-c2ccc(CN3CCC(c4cnc5ccccc5n4)CC3)cc2)cc1,1
+O=C(NC1C=CC=CN1)NC1CCCCC1C[NH+]1CCCC(Cc2ccc(F)cc2)C1,0
+CC(C)=C1C(=O)N(C)c2ccc(S(=O)(=O)N3CCCCC3)cc21,0
+COc1ccc(CCC(=O)N2CC(C(=O)NCCCO)C3(CC[NH2+]CC3)C2)cc1,0
+CC1(C)CN(C(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c2ccccc21,1
+CNC(=O)NC(=O)C(C)Nc1ccc(CC[NH+]2CCSCC2)cc1,0
+CCCn1c(N2CC[NH+](CC(=O)Nc3cccc4ccccc34)CC2)nc2sc3c(c2c1=O)CCCC3,0
+CNC(=O)NC(=O)CSC1NN=C(C2=c3ccccc3=[NH+]C2)N1C1CC1,0
+Nc1ncnc2nc(-c3ccc(CN4CCC(c5nc6ccc(F)cc6[nH]5)CC4)cc3)c(-c3ccccc3)cc12,1
+[C-]#[N+]COc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+CCc1c(N)ncnc1N1CCC(c2nc(-c3cccc(F)c3)cn2CCN2CCCC2)CC1,1
+Cc1cc(I)ccc1NC(=O)Cn1cc(C[NH3+])nn1,0
+CCOc1cc(C[NH3+])cc(Br)c1OCC(=O)OC(C)C,0
+CNC(=O)c1ccc(NC(=O)NCC(c2ccc(C)cc2)[NH+]2CCCC2)c(C)c1,0
+Cc1cc(Cl)c(OCCOCCNCC[NH3+])c(Br)c1,0
+Cc1cc(C)c(NC(=O)CNC(=O)Nc2cccc(-c3c[nH+]co3)c2)c(C)c1,0
+Cc1cccc(NC(=O)C[NH+](C)CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1C,0
+Cc1[nH]c2ccc(C(=O)Nc3ccc(NC(=O)CC[NH+](C)C)cc3)cc2c1C,0
+CC(C)(C)OC(=O)NCC1CCCC[NH+]1CC(=O)Nc1ccc(S(C)(=O)=O)cc1,0
+Cl.Nc1ncccc1-c1nc2ccc(-c3cccnc3)nc2n1-c1ccc(C2(N)CCC2)cc1,1
+Cc1csc(NC(=O)CSC2NNC(c3cc(Br)ccc3O)[NH+]2C)n1,0
+CN1CCCc2cc(C(CNC(=O)C(=O)NCCN3CCOCC3)[NH+]3CCCCC3)ccc21,0
+COc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)ccc1OCC(=O)NC(C)(C)C,0
+Cc1cccc(NC(=O)C[NH+]2CCN(C(C)C(=O)Nc3ccc(Cl)cc3)CC2)c1C,0
+Cn1c(CC(=O)Nc2ccc(F)c(Cl)c2)nc(N2CCOCC2)cc1=O,1
+Cc1cc(C)c(NC(=S)NCc2ccc[nH+]c2N(C)C)c(Cl)c1,0
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(c5cc(-c6ccncc6)[nH]n5)CC4)cc3)nc2n1,1
+O=C(NC(c1ccc(Cl)c(-c2ccccc2)c1)C1CCNCC1)c1ccc2cnccc2c1,1
+NC(=O)C(Cn1cc(Br)cn1)([NH2+]C1CC1)c1ccccc1,0
+NC1CCN(c2ncnc3[nH]cc(Cl)c23)C1,1
+N#Cc1c(N)ncnc1N1CCC(c2nc(-c3cccc(C(F)(F)F)c3)cn2CCN2CCCC2)CC1,1
+CC(C(=O)Nc1sc2c(c1C(N)=O)CCC2)[NH+](C)Cc1ccc(F)cc1,0
+CCOC(=O)[NH+]=c1ccc2c(CSc3nnc4c(Cl)cc(C(F)(F)F)cn34)cc(O)oc-2c1,0
+COc1ccccc1N1CCN(C2C(C[NH2+]Cc3cccc(Cl)c3)OC(CO)C2O)CC1,0
+O=C(NCC(O)c1ccc(F)c(F)c1)Nc1ccc(N2CCCCC2)[nH+]c1,0
+CC(=NNC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1,0
+NC1(c2ccc(-c3nn4c(-c5cccc(CO)c5)cnc4cc3-c3ccccc3)cc2)CCC1,1
+CC(C)CC(NC(N)=O)C(=O)OCC(=O)C1=c2ccccc2=[NH+]C1c1ccccc1,0
+CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(C)cc1)C(c1ccc(Br)cc1)=N2,0
+Cc1n[nH]c2ccc(-c3nnc(NCC(N)Cc4cccc(F)c4)s3)cc12,1
+NC(NCC(c1c(F)cccc1Cl)[NH+]1CCCC1)=[NH+]Cc1ccco1,0
+CCC(C)C1[NH2+]C2(CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)N(CCCOC)C1=O,0
+COc1ccccc1C(=O)N1CC(C(=O)NC(C)CCCC(C)(C)O)C2(CC[NH2+]CC2)C1,0
+CCOc1ccccc1C[NH+]1CCNC(=O)C1CC(=O)NCc1cc2cc(F)ccc2[nH]1,0
+S=C(NCCC1=c2ccccc2=[NH+]C1)SCC1CN2C=CC=NC2N1,0
+CCC([NH3+])C(c1ccc(Br)cc1)[NH+](C)Cc1cnn(C)c1,0
+CCOc1ccccc1NC(=O)N1CCC2=c3cc(OC)ccc3=[NH+]C2C1c1ccc(F)cc1,0
+CCCCNc1[nH+]c2c(s1)CC1C(C)(CO)C(O)CCC1(C)C2CC(=O)[O-],0
+CC1=C(C(=O)NCCC2=c3ccccc3=[NH+]C2)CC(C)N1Cc1ccc(S(N)(=O)=O)cc1,0
+O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)NC12CC[NH+](CC1)CC2,0
+Cc1ccc(CN(CCCCCCNc2cccc[nH+]2)C(=O)Nc2ccc(F)cc2F)cc1,0
+Cc1cc(C)c(-c2csc(NC(=O)C[NH+](Cc3cccc(O)c3)C3CCC(O)CC3)n2)c(C)c1,0
+C[NH2+]C1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(NC(C)CCCC(C)C)c(=O)cc21,0
+CCCCn1c(N)c(N(C(=O)C[NH+](C)C2CCCCCC2)C2CCCC2)c(=O)[nH]c1=O,0
+N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CC2CCCN2)CC1,1
+CCC([NH3+])C(OCC1CCCCO1)c1cc(Br)cs1,0
+COc1ccc(C)cc1NS(=O)(=O)c1sc([O-])nc1C,0
+CCN(Cc1ccncc1)Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,1
+CNC(=O)CN1CCC([NH2+]Cc2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)CC1,0
+CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C(F)(F)F)CC(=O)N3)CC1)c1ccc(Cl)cc1,1
+CC(C)[NH+](CC(N)=O)CC(=O)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2,0
+Cc1cc(S(N)(=O)=O)cc(NC(=O)C[NH+]2CCc3sccc3C2C)c1C,0
+NN1C(SCC2[NH+]=c3ccccc3=[NH+]2)NNC1c1ccccc1F,0
+Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCC(O)C[NH+]1CCC(C)CC1,0
+C[NH+](C)CCN1CCCN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)CC1,0
+CCOc1ccc(C2Nc3ccc(S(=O)(=O)N(CC)c4ccccc4)cc3C3C=CCC32)cc1,0
+NC(=O)C(c1ccc(Br)s1)N1CCC[NH2+]CC1,0
+CC(Cn1cc[nH+]c1)NC(=O)NCC1(c2cccc(C(F)(F)F)c2)CC1,0
+O=C(CNC(=O)C1C[NH2+]CC1C(=O)NC1CCc2ccccc21)c1ccccc1,0
+Nc1cc(Br)ccc1S(=O)(=O)NCCc1ccc(O)cc1,0
+CC[NH+]1CCN(Cc2c(O)ccc3oc(C)c(C(=O)Nc4cccc(Cl)c4C)c23)CC1,0
+CC(=O)NC(CC1=c2ccccc2=[NH+]C1)C(=O)Nc1cccc(S(=O)(=O)N=C2CCCN2)c1,0
+O=C(CN1C(=O)NC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O)N1CCN(c2cccc[nH+]2)CC1,0
+CCn1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(OCCCN)c21,1
+CCCCCNC(=O)C1C[NH2+]CC1C(=O)NC(C)CCc1ccccc1,0
+CC1CC(O)c2ncnc(N3CCN(C(=O)C(CN)c4ccc(Cl)cc4)CC3)c21,1
+O=C(O)c1ccc2nc(-c3ccc(CN4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)c(-c3ccccc3)nc2c1,1
+CCCCOc1ccccc1C(=O)NC(=S)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1,0
+[NH2+]=C(NCc1ccc(N2CCc3ccccc3C2)[nH+]c1)NC1CCCC1,0
+COc1ccc(C)cc1NC(=O)C12CCC(C)(C(=NOC(=O)c3ccc(Br)cc3)C1)C2(C)C,0
+CC1(O)CC(O)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cc(C(=O)O)ccc3-4)cc2)C1,1
+CCC(C)CC(=O)N1CC(C(=O)NCC[NH+]2CCCCC2)C2(CC[NH2+]CC2)C1,0
+OCCOc1ccc(-c2c(-c3ccccc3)[nH+]cn2C2CCCCC2O)cc1,0
+Cc1ccc2ccc(C(Nc3cccc[nH+]3)c3cccc(Cl)c3)c(O)c2n1,0
+COc1ccc(-n2c(C(C)N(CC[NH+](C)C)S(=O)(=O)c3ccc(C)cc3)nc3ccccc3c2=O)cc1,0
+CCC(C(=O)NC1CC[NH+](C2CC2)C1)C(N)=NO,0
+Cc1ccc(C2(O)CC3CCC(C2)[NH+]3Cc2ccc(OCCO)cc2)cc1,0
+COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CCC2[NH+]=c3ccc(C)cc3=[NH+]2)cc1,0
+NC1(c2ccc(-c3nc4ccc(-c5ccncc5)cn4c3-c3ccccc3)cc2)CCC1,1
+CCc1ccc2c(c1)C1([NH2+]C(C(C)O)C3C(=O)N(CCCOC)C(=O)C31)C(=O)N2,0
+COc1ccccc1C(c1c(NC(=O)c2cccs2)sc(C)c1C)[NH+]1CCC(C)CC1,0
+CC1CC(C)C[NH+](CCCCNC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1,0
+COc1ccc(C)cc1C(C)[NH2+]C(C)C(=O)NC(=O)NCC(F)(F)F,0
+CCN(CCn1cc(-c2ccc(F)c(C)c2)nc1C1CCN(c2ncnc(N)c2C#N)CC1)C(C)C,1
+CC(=O)Nc1cccc2c1CC[NH+](Cc1cc(C(C)(C)C)cc(O)c1O)C2,0
+CC1(C)CC2=C3C(=O)N(c4ccc(Cl)cc4)C(=O)N=C3SC2CO1,0
+CCOc1c(Br)cc(Cl)cc1NC(=O)C(C)([NH3+])C1CC1,0
+CC1=C(CSc2ncccc2C(=O)NNC(=O)C2=c3ccccc3=[NH+]C2)C(C)ON1,0
+COc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1C[NH3+],0
+CCOc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(N)=O,0
+COc1cccc(C=NNc2nc(SCC(=O)Nc3cccc(F)c3C)n[nH]2)c1O,0
+CC(C)(C)CN1CNc2ccc(-c3nc(C(C)(C)C)[nH]c3-c3ccc(F)cc3F)[nH+]c21,0
+Cc1nc2ccccc2c(=O)n1N=Cc1ccc2c(c1)CCC2,0
+COc1ccccc1C(CNC(=O)Nc1ccccc1CC(N)=O)[NH+]1CCCC1,0
+CN(C)c1cc(CNC(=O)NNC2(C)CCS(=O)(=O)C2)cc[nH+]1,0
+CCC(CC)[NH+](C)CC(=O)Nc1c(Cl)cc(N)cc1Cl,0
+CCc1ccc(Cc2nc3ccccn3c2C(N)C[NH+](C)C)cc1,0
+O=C(CSC1Nc2ccccc2N1Cc1ccccc1Cl)NN=CC1=c2ccccc2=[NH+]C1,0
+Cc1ccc(N2C(=O)CC(SCC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2=O)cc1[N+](=O)[O-],0
+Cc1n[nH]c(C)c1C(C)NC(=O)C1CN(C(=O)C2(C)CCCCC2)CC12CC[NH2+]CC2,0
+CC[NH+](Cc1sccc1Br)CC(C)C(N)=NO,0
+CC(C)(CNC(=O)NNC(=O)Cc1ccccc1F)[NH+]1CCc2ccccc2C1,0
+CC1CCC(N2C(=O)C3C(C(=O)Nc4ccc(Cl)cc4)C4C=CC3(O4)C2C(=O)NC2CCCCC2)CC1,0
+O=C(N1CCN(c2ncnc3[nH]nc(Cl)c23)CC1)C1(c2ccc(Cl)cc2)CCNCC1,1
+CCCCn1cnc2sc3c(c2c1=O)CCC([NH2+]CC1(O)CCCCC1)C3,0
+COc1cc(-c2cc(=O)[nH]c(CC(=O)N3CCc4c(F)cccc43)n2)ccn1,1
+NC(=O)CSc1ccccc1NC(=O)NCCC[NH+]1CCc2ccccc2C1,0
+CNS(=O)(=O)c1cccc(C(C)NC(=O)NCc2ccc(N(C)C)[nH+]c2)c1,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4ccc5ccccc5c4)c3)cc12,1
+COc1ccccc1C1CN2C(=O)N(c3ccc(C(C)C)cc3)C(=O)C2(C)C2[NH+]=c3ccccc3=C12,0
+CC1CC(C(=O)NC(C)C2CCCO2)CCC1[NH3+],0
+CC(C)CC([NH3+])C(=O)N1CCC(C(=O)NC(C)C(=O)Nc2ccc(C(C)C)cc2)CC1,0
+C[NH+](CC(=O)NCC(=O)Nc1ccccc1Br)Cc1ccccc1Br,0
+COc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(Cl)cc1C(=O)[O-],0
+NC(Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3c2CS(=O)(=O)C3)CC1,1
+NC1(c2ccc(-c3nc4nc(C5CC5)ccn4c3-c3ccccc3)cc2)CCC1,1
+CC1Cc2ccc(F)cc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+CCOc1c(Br)cc(Cl)cc1NC(=O)CC[NH2+]C1CC1,0
+CC[NH+]1CCCC1CNC(=O)C1CN(C(=O)c2sccc2C)CC12CC[NH2+]CC2,0
+NC(=[NH2+])NN=C(CSc1nc2ccccc2s1)c1ccc(F)cc1,0
+O=C(CSc1ccccc1C(=O)NN(c1ccccc1)c1ccccc1)NC12CC3CC(CC(C3)C1)C2,0
+CCOc1cc(C[NH2+]CCC2=CCCCC2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1,0
+COc1ccc(S(=O)(=O)Nc2cc(-c3ccc4nc(NC(C)=O)sc4c3)cnc2C)cc1,1
+O=c1c2c3c(sc2ncn1CCCO)CC([NH2+]CC1(c2ccccc2)CCCC1)CC3,0
+Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CCN3CCCCC3)CC2)c1Br,1
+CCc1cccc(C)c1NC(=O)COc1ccccc1C(=O)NC1[NH+]=c2ccccc2=[NH+]1,0
+Oc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3ccn12,1
+Cn1cc(CC(N)COc2cncc(C=Cc3ccncc3)c2)c2ccccc21,1
+CCCC1OC2CC(=O)OC2C2=C1C(=O)c1c(O)cccc1C2=O,1
+COc1ccc(-n2c3c(c(=O)[nH]c2=O)C(NC(=O)C2CCCCC2)(C(F)(F)F)C(=O)N3)cc1,0
+COc1ccc(C[NH2+]CC2CCOCC2)c(OCC(O)CN2CC[NH+](C)CC2)c1,0
+CNc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(c5nnc(-c6ccccn6)[nH]5)CC4)cc3)nc2n1,1
+O=C(Cc1ccccc1)N1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+CC(C)C(C(=O)Nc1ccc(N)cc1Cl)[NH+]1CCCCC1,0
+CCOC(=O)C1=C(C[NH+](C)CC(=O)Nc2ccccc2C(F)(F)F)NC(=O)NC1c1ccccc1,0
+Cc1ccccc1C(C(=O)NC(C)(C)CC(C)(C)C)N(C)C(=O)C(O)(c1ccccc1)c1ccccc1,0
+CCNC(=O)C[NH+]1CCN(C(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1,0
+Cl.Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(C2(N)CCC2)cc1,1
+O=[N+]([O-])c1ccccc1C[NH2+]CC(O)C[NH+]1CCCC1,0
+CCC1(c2ccc(OC(C)C)cc2)NC(=O)N(C(C)C[NH3+])C1=O,0
+NC(CCc1cc(-c2ccc3cnccc3c2)no1)Cc1ccc(C(F)(F)F)cc1,1
+CC(O)C1[NH2+]C2(C(=O)Nc3c(Cl)cccc32)C2C(=O)N(CCc3ccccc3)C(=O)C12,0
+CCC(C)[NH+](C)CCNC(=O)NNC(=O)COc1ccccc1C#N,0
+COC(=O)c1cccc(NC(=O)N2CCc3[nH]c[nH+]c3C2c2ccc(Br)cc2F)c1,0
+NC(=O)c1ccc(NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1,0
+COc1ccc(C(CNC(=O)N2CCOC(C(N)=O)C2)[NH+]2CCCC2)cc1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2c1ccc(F)c2F,1
+CC1CC[NH+](C(CNC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C(C)C)CC1,0
+CCn1c(-c2nonc2N)nc2cncc(C(=O)N3CCNCC3)c21,1
+CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(CO)CC3)CC1)c1ccc(Cl)cc1,1
+Cc1ccc(OCC(O)Cn2c(NCCC[NH3+])nc3c2c(=O)[nH]c(=O)n3C)cc1,0
+O=C(C[NH+]1CCCC(C(=O)NC2CC2)C1)NCC1CC[NH+](CC(F)(F)F)C1,0
+CC1(CSc2ccccc2C(=O)NCCC2=c3ccccc3=[NH+]C2)NC(=O)NC1=O,0
+O=C(NCC1([NH+]2CCSCC2)CCCC1)NNC(=S)NC1CCCC1,0
+Oc1c(Cl)cc(Cl)cc1C=[NH+]CCCCCC[NH+]=Cc1cc(Cl)cc(Cl)c1O,0
+[NH3+]CCNc1cc2c(cc1[N+](=O)[O-])NC(=O)CC2,0
+Cc1cc[nH+]c(NC(c2ccc3c(c2)OCO3)c2c(NC(=O)c3ccco3)sc(C)c2C)c1,0
+[NH3+]CCC1CN(Cc2ccc(O)c(Cl)c2)c2ccccc21,0
+O=C(Cc1cccc2ccccc12)Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,1
+CC1CC[NH+](CC(O)CNC(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)CC1,0
+CC(=O)NNC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2c1CC[NH+](C)C2,0
+CCCC[NH+]1Cc2cccc(NC(=O)C=Cc3ccc(OCC(N)=O)cc3)c2C1,0
+CC[NH+](CC(O)COC(c1ccc(F)cc1)c1ccc(F)cc1)CC(O)c1cccc(O)c1,0
+NC1(c2ccc(-c3nc4cc(O)ccn4c3-c3ccccc3)cc2)CCC1,1
+CC1CC(C)C[NH+](CC(C)NC(=O)NNC(=O)Cc2ccccc2F)C1,0
+CCCNC(=O)c1cccc(CNC(=O)NCCC[NH+](C)Cc2ccccc2)c1,0
+CCOc1cccc(C(=O)N2CC(C(=O)NCCc3ccc(Br)cc3)C3(CC[NH2+]CC3)C2)c1,0
+Cc1ccc(C)c(NC(=S)N(CCC2=c3cc(C)ccc3=[NH+]C2C)Cc2ccccn2)c1,0
+CSc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)c2cccc(F)c2)cc1,0
+NC(=S)c1ccc(N2CCN(c3cccc[nH+]3)CC2)nc1,0
+CC(c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC(=O)Nc1cc(Cl)ccc1-n1cncn1,0
+CC(C(=O)Nc1sccc1C(N)=O)N1CC[NH+](CC2CCCCC2)CC1,0
+CC(CNC(=O)NCC(O)c1ccc(F)c(F)c1)[NH+]1CCc2ccccc2C1,0
+NC(=O)NCC(=O)N1CCC2=c3ccccc3=[NH+]C2C1c1cccc(C(F)(F)F)c1,0
+CC([NH2+]C1CCCc2c1cnn2CCO)c1ccc(Cl)s1,0
+O=C(NC(c1ccccc1)c1ccc(Cl)cc1)C1CCCCC1C(=O)N1CCN(c2cccc[nH+]2)CC1,0
+CCOc1cccc2cc(C(=O)Nc3ccc(F)cc3)c(=[NH+]c3ccc(S(N)(=O)=O)cc3)oc12,0
+CCn1c(SCC(=O)Nc2ccc(NC(=O)C(C)(C)C)cc2)nnc1-c1cccs1,0
+COc1ccc(C(N)=O)cc1NC(=O)C(=O)NC(C)CC[NH+](C)C,0
+CCOc1ccc(C(C)[NH2+]CC(=O)N=c2[nH]c(-c3ccc(Br)cc3)cs2)cc1,0
+[NH2+]=C(Nc1ccc(F)cc1)Nc1nc(=O)c2c([nH]1)CCC2,0
+NC(CNc1cnc(-c2ccc3cnccc3c2)s1)Cc1ccc(C(F)(F)F)cc1,1
+Cn1ncc2ccc(-c3cnc(NCC(N)Cc4ccc(C(F)(F)F)cc4)s3)cc21,1
+CCCNC(=O)NC1(C(=O)[O-])C(C)CCCC1C,0
+CC(NC(=O)C[NH+]1CCC(CC(N)=O)CC1)c1ccc2c(c1)CCCC2,0
+CC(C)CCCC1(C)CCc2cc(N)ccc2O1,1
+CC1CC(C)C[NH+](CCNC(=O)NCCCc2n[nH]c(N)c2C#N)C1,0
+CC(c1ccc(Cl)cc1)N(C)c1cccc(Cl)c1C(N)=[NH2+],0
+CCOC(=O)C1=C(C[NH2+]C2CCCCC2)NC(=O)NC1c1ccc(C)cc1C,0
+CCOC(=O)c1c(N)n(C2CC(C)(C)[NH2+]C(C)(C)C2)c2nc3ccccc3nc12,0
+COc1ccc2cc(C(N)=S)c(=[NH+]c3cccc(Br)c3)oc2c1,0
+CCN(CC)C(=O)Cn1c(N2CC[NH+](CC(=O)Nc3ccccc3C)CC2)nc2sc(C)c(C)c2c1=O,0
+CC1CCCCC1CNS(=O)(=O)N1CCC(C(=O)[O-])CC1,0
+CCC([NH3+])C(n1cc(Br)cn1)C(F)(F)F,0
+Cc1ccsc1C(=O)NNC(=O)NCC(C)[NH+]1CCC(C)CC1,0
+CCC([NH3+])C(OCC1CCOCC1)c1ccc(Br)s1,0
+CC(OC(C)(C)C)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)n1nnc2ccccc21,0
+Cc1ccc(S(=O)(=O)N2CCN(Cc3ccc(C(=O)NC(C)c4cc(C)ccc4C)cc3)CC2)cc1,0
+Nc1cc(N)cc(-c2nnnn2-c2ccc(F)cc2Br)c1,0
+CCCCSC1(SCCCC)[NH+]=C(N)C2(C#N)C(c3ccccc3)[NH2+]C(C)=C(C)C12C#N,0
+Cc1cc(C)c(C(N)=S)c(NC(C)c2sc(C)nc2C)[nH+]1,0
+CCc1ccc(C([NH2+]CC(=O)N2CCC(C(N)=O)CC2)c2cccs2)cc1,0
+CC(C)CCNC(=O)C1Cc2cc(C(F)(F)F)ccc2N2CC[NH+](CCOc3ccccc3)CC12,0
+O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4cc(-n5cnnn5)ccc4nc3-c3ccccc3)cc2)CC1,1
+O=C(CN1CCN(C(=O)c2csc(Nc3cccc(Cl)c3)n2)CC1)N1CCN(c2cccc[nH+]2)CC1,0
+CC1Cc2c(Br)cccc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)[nH]1,1
+NC(=[NH2+])c1ccc(Sc2ccccc2F)cc1C(F)(F)F,0
+CC1CC2C(c3ccccc3)NC(=S)NC23Oc2c(ccc(O)c2O)C(c2ccccc2)C3C1,0
+CCC(c1nc2ccccc2c(=O)n1-c1ccc(C)c(C)c1)N(CC[NH+](C)C)C(=O)Nc1cccc(C#N)c1,0
+Cc1ccc(N(c2ccc(C)cc2)c2ccc(C([NH3+])CC(N)=O)cc2)cc1,0
+CCCC(=O)Nc1cccc(NC(=O)NCc2cn3cc(C)ccc3[nH+]2)c1C,0
+C[NH+]1CCc2c(sc3c2C(=O)NC(c2ccc(OC(=O)c4ccc(Cl)cc4)cc2)N3)C1,0
+COc1ccc(C2C3[NH+]=c4ccc(Cl)cc4=C3CCN2C(=O)Nc2ccc(OC)cc2OC)cc1,0
+CCOc1cccc2cc(C(=O)Nc3ccc(C)c(C)c3)c(=[NH+]c3ccc(S(N)(=O)=O)cc3)oc12,0
+Cc1c[nH]c2ncnc(N3CCC(N)(CNC(=O)Oc4ccccc4)C3)c12,1
+COc1ccc(C2Nc3ccccc3S(=O)(=O)N2)cc1OC,0
+Nc1ncccc1-c1nc2cc(-c3ccccc3)cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,1
+CC[NH+](CC)C(CNC(=O)NCC(O)c1ccc(OC)cc1)c1ccsc1,0
+COc1cc(C[NH2+]CCCCO)cc(Br)c1OCc1ccccc1C,0
+CCNC(=O)NC1CCC2(C)CCC(C(C)C(=O)NC(C)C)C(O)C2C1C,0
+Cc1cc(F)ccc1S(=O)(=O)NCC(O)CN1CCCC2(CCN(c3ncnc(N)c3C3CC3)C2)C1,1
+CCOc1ccc(NC(=O)CCCNC(=O)N2CCC3=c4cc(Cl)ccc4=[NH+]C3C2)cc1,0
+O=C(NCCN1CCOCC1)C1Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C3CCCCC3)CC12,0
+C[NH2+]C1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(NCC[NH+]3CCCCC3)c(=O)cc21,0
+CC(c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC(=O)Nc1ccccc1Cl,0
+CC(C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1,0
+CCC(CC)(CO)[NH2+]CC(O)c1cccc(Br)c1,0
+CC(=O)Nc1cc(C[NH2+]Cc2cc(Cl)ccc2O)cc(C(=O)N2CCCC2)c1,0
+CNS(=O)(=O)c1cccc(C(C)NC(=O)NC(C)CC[NH+](C)C)c1,0
+CCN(CC)C(=O)C1CCCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)C1,1
+CN(Cc1ccccc1)c1nc[nH+]c(NN(c2ccccc2)c2ccccc2)c1N,0
+COc1cc(C[NH2+]C2CCC(C(N)=O)CC2)cc(Br)c1O,0
+NC1(c2ccc(-c3nc4c5cc(-c6cccc(CO)c6)ccc5nn4cc3-c3ccccc3)cc2)CCC1,1
+OCc1cnc(S)n1CCNc1[nH+]cc(C(F)(F)F)cc1Cl,0
+NC(=[NH2+])c1cc(C(F)(F)F)ccc1Oc1ccc(Br)cc1,0
+Cc1ccc(S(=O)(=O)N2CCC[NH+](CC(=O)NC(C)c3ccc(S(N)(=O)=O)cc3)CC2)cc1,0
+CC(C(=O)Nc1sccc1C(N)=O)[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1,0
+Cc1c(C(N)=O)sc(NC(=O)CN2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c1C(=O)OC(C)C,0
+CCOCC1(CN2CNC(c3ccccc3)C2c2[nH]cc[nH+]2)CCC1,0
+C[NH+](C)CCNC(=O)CCC12CCC(C)(O)CC1C(C)(C)CC2NC(=O)Cc1cccs1,0
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(n5ncc6c(N)ncnc65)CC4)cc3)nc2n1,1
+CCC(=O)Nc1ccc(C(C)NC(=O)NCCC[NH2+]C2CCCCC2)cc1,0
+CC[NH+](CC)C(C)C(=O)NNC(=O)C(O)(c1cccc(C)c1)c1cccc(C)c1,0
+CC(C)Cn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1ccccc1F,0
+O=S(=O)(NCCC(F)(F)F)c1ccc(F)cc1C#CCO,0
+Cc1n[nH]c(=O)c2c(NC(=O)C[NH2+]C(c3ccccc3)c3ccccc3)oc(C)c12,0
+Oc1ccccc1C1CN(C(CNI)c2ccc(Cc3ccccc3)cc2)CC[NH2+]1,0
+Cc1cccc(NC(=O)N=C(NCCC2=c3ccccc3=[NH+]C2)Nc2nc(C)cc(C)n2)c1,0
+NC1(c2ccc(-c3nc4ncccn4c3-c3ccccc3)cc2)CCC1,1
+NS(=O)(=O)c1ccc(C=CC(=O)NCC[NH+]2CCc3sccc3C2)cc1,0
+O=C(CNC(=O)C1CC=CO1)NNC(=O)CC1=c2ccccc2=[NH+]C1,0
+Cc1sc2nc(CC[NH3+])nc(NCc3noc(-c4ccco4)n3)c2c1C,0
+Nc1ncnc2nc(-c3ccc(CN4CCC(c5nc6ccc(F)cc6[nH]5)CC4)cc3)c(-c3ccccc3)cc12,1
+C[NH+](C)CCNC(=O)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1,0
+CC[NH+]1CCCC1CNC(=O)C1CN(C(=O)Cc2ccc(C)cc2)CC12CC[NH2+]CC2,0
+O=S(=O)(Nc1cc(C(F)(F)F)ccc1N1CCN(c2[nH+]cc(C(F)(F)F)cc2Cl)CC1)c1cccs1,0
+Cc1ccc(C2Nn3c(C)nnc3SC2C(=O)Nc2ccc(Br)cc2C)cc1,0
+CCNC(=O)c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+CC(C)(C)OC(=O)NN(Cc1ccccc1)C(=O)CN1C(=O)C=CC1=O,1
+Cc1cc(C)cc(NC(=[NH2+])SCc2cccc(C(=O)N(C)C)c2)c1,0
+CCN(CC)C(=O)C[NH+]1CCN(C(C)C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)CC1,0
+CC([NH3+])c1ccc(NC(=O)N(C)Cc2cc(Br)cs2)cc1,0
+NC(COc1cncc(-c2ccc3cnc(F)cc3c2)c1)Cc1c[nH]c2ccccc12,1
+CCC(C)[NH+](C)CCNC(=O)NCC(=O)Nc1cc(Br)ccc1C,0
+N#CC1=C(N)Oc2c(oc(CO)cc2=O)C1c1c(Cl)cccc1Cl,0
+NCC(Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3[nH]ccc23)CC1,1
+CNC(=O)COc1ccc(CNC(=O)NCC2([NH+](C)C)CCCC(C)C2)cc1,0
+CC1CCCC[NH+]1CCNC(=O)NCc1cc(Br)cs1,0
+Cc1c(C(=O)Nc2ccc(Br)cc2)oc2c1C(=NNC(N)=[NH2+])CCC2,0
+CC(NC(=O)CSc1ccc(Cl)cc1)c1cccc(S(N)(=O)=O)c1,0
+NC(CNc1ncc(-c2ccc3cncnc3c2)s1)Cc1ccc(C(F)(F)F)cc1,1
+CC([NH3+])C1CCCCN1c1nc2c(cc1C#N)CCC2,0
+Cc1ccc(C(=O)Nc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)cc1,1
+CCC([NH3+])C(OCC1CCOCC1)c1ccc(Br)s1,0
+CC(C(=O)Nc1c(Cl)cc(N)cc1Cl)[NH+]1CCSCC1,0
+O=C(CNC(=O)NCc1ccc[nH+]c1N1CCCCC1)Nc1ccc(F)cc1,0
+CCOc1ccc(C2=NC(c3ccc(Cl)cc3)[NH2+]C(c3cc(Br)ccc3O)C2)cc1,0
+Cl.O=C(NC1CNCCC1c1ccc(F)c(F)c1)c1ccc(-c2ccn[nH]2)cc1F,1
+CS(=O)(=O)Nc1ccc(Cl)c(NC(=O)C2CSC[NH2+]2)c1,0
+CNC(=O)c1cccc(NC(=O)NCC2CCC[NH+](Cc3cccs3)C2)c1,0
+NS(=O)(=O)CC[NH2+]Cc1cc(Br)c(Br)o1,0
+CNC(=O)c1ccc2c(c1)-c1nc(-c3ccc(C4(N)CC(C)(O)C4)cc3)c(-c3ccccc3)n1CO2,1
+Nc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3ccn12,1
+O=C([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCC1CN(Cc2ccccc2)CCO1,0
+C[NH+]1CCCC(NS(=O)(=O)c2cc(Cl)cc(N)c2Br)C1,0
+c1ccc(-c2cc3cnccc3nc2-c2ccc(CN3CCC(c4n[nH]c(-c5ccccn5)n4)CC3)cc2)cc1,1
+CC1C=NC(=NC(=O)C=CC2=Cc3ccccc3OC2)S1,0
+O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nnc4n3-c3ccccc3Nc3ccccc3-4)cc2)CC1,1
+CCCCN1C(=O)C2C(C(=O)Nc3cc(Cl)cc(Cl)c3)C3C=CC2(O3)C1C(=O)NC1CCCCC1,0
+CCOC(=O)c1c(NC(=O)Cn2c(NCCO)[nH+]c3ccccc32)sc2c1CCC(C)C2,0
+CC(C)Oc1ccc(CNC(N)=[NH+]CC2CCCO2)c(C(F)(F)F)c1,0
+CNS(=O)(=O)c1ccc(C(C)NC(=O)NCCC[NH2+]C2CCCCC2)cc1,0
+NC(Cc1ccc(Cl)cc1)C(=O)N1CCN(c2cnc3ccccn23)CC1,1
+N#CC1=CC2C3C(=O)N(c4ccccc4)C(=O)C3C(C(=O)c3ccccc3)N2C=C1,0
+Cc1cc(N)cc(S(=O)(=O)N(Cc2ccsc2)C2CC2)c1,0
+Cc1sc2ncnc(SCC3=NC(=O)C4=C5CCC(C)CC5SC4=N3)c2c1C,0
+c1ccc(-c2cc3cccnc3nc2-c2ccc(CN3CCC(c4cc(-c5ccncc5)[nH]n4)CC3)cc2)cc1,1
+CC(C)S(=O)(=O)NCC1CCC[NH+](CC(=O)NC(N)=O)C1,0
+COc1ccccc1C[NH2+]C1CC(C)(C)C2CC(C)(O)CCC12CCC(=O)N1CCCC1,0
+Cc1ccc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4C(N)=O)CC3)n2)cc1Cl,1
+[NH3+]CCCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1,0
+CC(c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1,0
+CCOc1cc(C(C[NH3+])[NH+]2CCCC2)cc(Br)c1O,0
+C[NH+](C)C1(CNC(=O)NNC(=O)CCC2CCCCC2)CCCC1,0
+Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CNC(=O)C2CCCCC2)cc1,1
+NC1(c2ccc(-n3c(-c4cccc(Cl)c4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1,1
+Cc1ccc(CSCCNC(=O)NCc2cc[nH+]c(N3CC[NH+](C)CC3)c2)cc1,0
+NS(=O)(=O)Cc1ccc(C[NH2+]C(C(=O)N2CCCC2)c2ccccc2)cc1,0
+COc1ccc(C(CNC(=O)COc2cc(C)c(Cl)c(C)c2)[NH+]2CCCCC2)cc1,0
+O=C(NCC(C1=c2ccccc2=[NH+]C1)c1cccs1)Nc1ccc(F)cc1F,0
+CC1CCC[NH+](CCCNC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1,0
+COCCn1c(-c2ccc(C)cc2)c(NC(=O)c2cccs2)sc1=[NH+]c1ccccc1,0
+CCNC1NN=C(SCC2=NC(=O)C3=C(C)C(C(=O)Nc4ccc(C)cc4C)SC3=N2)S1,0
+Cn1c(=O)c2c3c(sc2n(C)c1=O)CCC3,0
+CCCn1c(SC(c2cnn(C)c2)C([NH3+])CC)n[nH]c1=O,0
+CCC(=O)Nc1ccc(C(C)[NH2+]C(C)C(=O)Nc2ccccc2C(C)C)cc1,0
+NC(COc1cncc(-c2cccc(Nc3ncccn3)c2)c1)Cc1c[nH]c2ccccc12,1
+c1ccc(-c2cc3cccnc3nc2-c2ccc(CN3CCC(c4cc(-c5ccncc5)[nH]n4)CC3)cc2)cc1,1
+Cc1ccc(C([NH2+]C(C)C(=O)Nc2ccc(C)c(F)c2)C2CC2)cc1,0
+C=CCN(C)C(=O)C(C)C1CCC2(C)Cc3sc(NC)[nH+]c3C(C)C2C1O,0
+Cc1ccc(C(O)C[NH+]2CCC3(CC2)CC(O)c2ccc4ccccc4c2O3)cc1C,0
+Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CCN3CCC3)CC2)c1C=O,1
+Cc1ccc(N)cc1NC(=O)C[NH+](C)Cc1csc(Br)c1,0
+CC1(C)C2CCC1(C)C(NC(=O)C([NH3+])CCS(C)(=O)=O)C2,0
+COCCCNC(=O)c1ccc2c(c1)C1C=CCC1C(c1ccc(O)cc1)N2,0
+CNC(=O)C1CCCN1C(c1ccccc1Br)C(C)[NH3+],0
+CCOC(=O)C([NH3+])Cc1cc(Cl)c(F)c(Br)c1O,0
+Nc1cc(Cl)cc(Cl)c1NC(=O)CN1C(=O)CCCC1=O,0
+COc1ccc(C2[NH2+]CCc3c2[nH]c2ccccc32)cc1COc1ccc([N+](=O)[O-])c(C)c1,0
+O=C(Cc1nc(N2CCOC(CF)C2)cc(=O)[nH]1)N1CCc2c(F)cccc21,1
+CN1C(=O)NC(c2ccccc2C(F)(F)F)C2=C1CN(CC(=O)N(CC[NH+](C)C)Cc1ccccc1)C2=O,0
+COc1ccc(C=CC(=O)NC(=S)NNC(=O)CCC(=O)Nc2cc(C)ccc2C)cc1,0
+CC(c1ccc(S(N)(=O)=O)cc1)[NH+](C)CCC(=O)Nc1c(Cl)cccc1Cl,0
+C[NH+](C)CCNS(=O)(=O)c1c(N)cc(Br)cc1Br,0
+NCC(Cc1ccccc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,1
+Cc1ccc(S(=O)(=O)N(CCc2cccs2)CC(=O)NC2CC(C)(C)[NH+](C)C(C)(C)C2)cc1,0
+CCCCNC(=O)C1CN(C(=O)C(C)CCC)CC12CC[NH2+]CC2,0
+CCOc1cc(CCNC(=O)C2CN(C(=O)c3cccc(Cl)c3)CC23CC[NH2+]CC3)ccc1OC,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1ccccc1OCc1cccnc1,1
+CC(=O)Nc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN2CCC2)CC1,1
+N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1,1
+C=CCOc1ccc(C[NH2+]Cc2cccc(C3(C)NC(=O)NC3=O)c2)cc1Cl,0
+Cc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)N=c2[nH]c(C[NH+]3CCCCC3)cs2)cc1,0
+CCOc1cc(C[NH2+]C(C)C23CC4CC(CC(C4)C2)C3)ccc1OCCO,0
+Cc1ccc(CNC(=O)Nc2ccc(C3C=c4cc(F)ccc4=[NH+]3)cc2)cc1,0
+C[NH+]1CCC(CNS(=O)(=O)c2cc(Cl)cc(N)c2Br)C1,0
+CC1CCCC(NC(=O)C[NH+]2CCC(CC(N)=O)CC2)C1C,0
+CCc1ccc(C(CNC(=O)Nc2ccc(C(=O)NC)cc2C)[NH+](C)C)cc1,0
+CC(CNC(=O)NCC(O)COc1ccccc1)[NH+]1CCc2ccccc2C1,0
+CCOC(=O)Nc1cccc(NC(=O)NC(C)C[NH+]2CC(C)CC(C)C2)c1C,0
+C=CCNC(=O)NC(=O)CN1CCCCC1C(C)[NH3+],0
+COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)c1,0
+Cc1n[nH]c2ccc(-c3cc(OCC(N)Cc4ccccc4)cnc3-c3cccs3)cc12,1
+CC1CCc2c(sc(NC(=O)CCCC(=O)Nc3sc4c(c3C(N)=O)CCC(C)C4)c2C(N)=O)C1,0
+CC(OC(=O)c1ccccc1C(=O)c1ccccc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl,0
+NC(=O)C1CCC[NH+]1Cc1cccc(NC(=O)c2cccc3c2OCCO3)c1,0
+CC(C)(C)n1nc(Cc2cccc(I)c2)c2c(N)ncnc21,1
+CCC(C)NC(=O)C(NC(=O)C1CC2=c3ccccc3=[NH+]C2C2c3ccccc3C(=O)N12)C(C)C,0
+Cc1cccc(SC(C)C(=O)NC(C)c2ccc(S(N)(=O)=O)cc2)c1,0
+CC(CNC(=O)C1(C(N)=S)CCCCC1)C[NH+]1CCCC1,0
+CC(NC(=O)c1ccco1)C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2,0
+CC(c1ccccc1Cl)N(C)C(C[NH3+])c1ccc(Br)cc1,0
+COc1ccc(C)cc1C(C)[NH2+]C(C)C(=O)Nc1cccc(NC(C)=O)c1,0
+CC1=CC2(Nc3cc(C)ccc3O2)C(C(N)=O)=C(N)O1,0
+CC1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)Nc2sccc2C(N)=O)C1=O,0
+CC1CC(C)C[NH+](CCCNC(=O)NCc2ccc(S(N)(=O)=O)cc2)C1,0
+C[NH+](C)CCSc1ccc(-c2ccc(-c3ccc(SCC[NH+](C)C)cc3)nn2)cc1,0
+CC1=C(C(=O)C(=O)NNC(=O)CC2=c3ccccc3=[NH+]C2)C(C)N(c2cccc(C(F)(F)F)c2)N1,0
+COC(=O)C1Cc2c([nH]c3ccccc23)C2CC([NH2+]C3CC3)CC(c3ccc(F)cc3)N12,0
+Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,1
+NS(=O)(=O)c1ccc(CCNC(=O)Nc2c(F)cccc2F)cc1,0
+Cl.NCc1ccc(-n2c(-c3cccnc3N)nc3ccc(Cl)nc32)cc1,1
+CNC(=O)c1ccc(NC(=O)NCCCC[NH+]2CCCCC2C)c(C)c1,0
+Cc1ccc(C2=NC3(CC[NH2+]CC3)NC(c3cc(Br)ccc3O)C2)cc1,0
+C[NH+](C)C(NC(=O)NC([NH+](C)C)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,0
+COc1cc(C2Nc3ccccc3NC3=C2C(=O)CC(c2ccc(C(C)(C)C)cc2)C3)cc(OC)c1OC,0
+Nc1ncnc2nc(-c3ccc(CN4CCC(n5ncc6c(N)ncnc65)CC4)cc3)c(-c3ccccc3)cc12,1
+Nc1ncnc(N2CCN(C(=O)C(N)Cc3ccccc3)CC2)c1Br,1
+CC1(C)CN(C(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c2ccccc21,1
+Cc1ccc(NC(=O)CNc2ccccc2[NH+]2CCC(O)CC2)cc1[N+](=O)[O-],0
+Cc1cccc2cc(C(c3nnnn3C(C)(C)C)[NH+](Cc3ccccc3)Cc3ccc(Cl)cc3)c(=O)[nH]c12,0
+Cc1noc(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)n1,0
+COc1cc(C[NH2+]C23CC4CC(C)(CC(C)(C4)C2)C3)ccc1OCC(N)=O,0
+OCCC1CN(Cc2c(O)ccc3ccccc23)CC[NH+]1Cc1ccc(F)cc1,0
+CN1CCN(C(C(=O)N2CCN(c3ncnc4[nH]cc(Br)c34)CC2)c2ccc(Cl)cc2)CC1,1
+Cc1cc(-c2cn(CC3CNC3)c(C3CCN(c4ncnc(N)c4C#N)CC3)n2)ccc1F,1
+CC1(C)CC(Nc2ncnc(Nc3cccc4ncccc34)c2[N+](=O)[O-])CC(C)(C)[NH2+]1,0
+NC(Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ccnc3ccccc23)CC1,1
+CONCC(c1ccc(S(=O)(=O)C(C)C)cc1)N1CC[NH2+]C(O)C1,0
+Cc1ccccc1NC(=O)C1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[nH]c(=O)c21,0
+COc1cccc(NC(=O)c2cc3cc(Cl)ccc3oc2=[NH+]c2ccc(S(N)(=O)=O)cc2)c1,0
+Cc1ccc2oc(=[NH+]c3ccc(S(N)(=O)=O)cc3)c(C(=O)Nc3ccc(F)cc3)cc2c1,0
+NC(COc1cncc(C=Cc2ccncc2)c1)C(c1ccccc1)c1ccccc1,1
+COc1ccc(F)cc1CC(N)COc1cncc(-c2ccc3[nH]nc(C)c3c2)c1,1
+CC1CC[NH+](CCNC(=O)NCC(O)C[NH+]2CCC(C)CC2)CC1,0
+CN1CC2C[NH2+]CC2(C(=O)NCC2(O)C3CC4CC(C3)CC2C4)C1,0
+O=S(=O)(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccccc1,1
+COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1[N-]S(C)(=O)=O,0
+CC1=C2C(=O)N=C(CN3CCN(c4cc(C)[nH+]c(C(C)C)n4)CC3)N=C2SC1C,0
+O=C(Nc1cc(C(F)(F)F)ccc1Cl)C([NH2+]Cc1ccc2c(c1)OCO2)c1ccccc1,0
+Cc1cccc(C(=O)NNC(=O)NCC(c2ccccc2Cl)[NH+](C)C)c1,0
+Cc1nc2nc(-c3ccc(CN4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)c(-c3ccccc3)cn2c1Br,1
+CC1CC(C)C[NH+](C(C)(C)CNC(=O)Nc2ccccc2SCC(N)=O)C1,0
+Cc1ccc(C2=NN(C(=O)C[NH+](C)CC(=O)Nc3c(Cl)cccc3Cl)C(c3ccco3)C2)cc1,0
+CC(=O)C1=NN(c2ccccc2Cl)C2C(=O)N(c3cccc(Cl)c3)C(=O)C12,0
+CCC1CN(c2ccc(C(N)=[NH2+])c(C(F)(F)F)c2)CCO1,0
+Cc1ccc(C#N)cc1NC(=O)C(=O)NC(C)c1ccc2c(c1)OCCO2,0
+O=C1NC(=O)C2(CCC(C(=O)N3CCCC3C3CCCC3)CC2)N1,0
+CC[NH+](c1ccc(NC(=O)CN2C(=O)NC(Cc3ccccc3)(c3ccccc3)C2=O)cc1)C(C)C,0
+CN(CC1CCCCO1)C(C[NH3+])c1cccc(Cl)c1,0
+Nc1cc(NCC2CCC[NH+]2Cc2ccnc(Cl)c2)nc2nc(-c3ccco3)nn12,0
+OCC[NH2+]CCSc1nnc(-c2ccccc2)n1-c1ccccc1,0
+CC[NH+](CC)CCNC(=O)c1ccc(NC(=S)NC(=O)c2ccc(C(=O)OC)cc2)cc1,0
+CC1CC(C)C[NH+](CC(=O)Nc2c(N)cc(Cl)cc2Cl)C1,0
+CCOc1ccc(NC(=NC(=O)c2ccc(F)c(Cl)c2)NCCC2=c3ccccc3=[NH+]C2)cc1,0
+Cn1ncc(Br)c1-c1csc(C(=O)NC2(c3ccc(F)cc3)CCNCC2)c1,1
+O=C(CC[NH+]1CCOCC1)NNC(=S)NC(=O)c1ccc(Br)cc1,0
+CC(C)CN(C(=O)C[NH+](C)CCOc1ccccc1Cl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,0
+CCCc1nc(C)c(CNC(=O)C2=C(C)NC(=O)NC2c2[nH]c[nH+]c2C)s1,0
+COc1ccc(C(O)(c2ccccc2OC)C(C[NH+]2CCCC2)c2ccc(Cl)cc2)cc1,0
+CSCCC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1,0
+CCC([NH3+])C(OC1CCOCC1)c1ccc(Br)s1,0
+NC(=O)c1ccccc1NC(=O)C[NH+]1CCc2sccc2C1c1ccccc1,0
+CCCNC(=O)OC1CCC2(C)C(CC(=O)N3CCC(O)C3)C(O)CCC2C1(C)CO,0
+CCOC(=O)c1c[nH+]c2c(OC)ccc(OC)c2c1NCCc1ccc(S(N)(=O)=O)cc1,0
+O=C(NNC(=S)NC1CC1)c1cccc(NC(=O)c2cccs2)c1,0
+COC1(C)CCN(c2cnc(C(=O)Nc3csc(-c4nncn4C4CC4)n3)cc2-n2cnc(C3CC3)c2)CC1,1
+CCOC(=O)C1=C(C[NH2+]C2CCCCC2)NC(=O)NC1c1ccc(C)cc1C,0
+O=C(NC(c1ccc(F)c(F)c1)C1CCNCC1)c1ccc2cnccc2c1,1
+Cc1cc(C)n(CCCNC(=O)c2ccccc2NS(=O)(=O)c2ccc3c(c2)=[NH+]C(=O)[NH+]=3)n1,0
+NC(COc1cncc(-c2cccc(Nc3nccs3)c2)c1)Cc1c[nH]c2ccccc12,1
+Cc1cccc(-n2c(SC(C)C(=O)NCCc3ccccc3)nc3ccccc3c2=O)c1C,0
+CC(C)S(=O)(=O)NCC(c1ccc(-c2ccccc2)cc1)N1CC[NH2+]C(c2ccccc2O)C1,0
+CCc1ccc(NC(=O)CSC(Nc2ccccc2)=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1,0
+COc1ccc(CC(CN)NC(=O)c2cc(Br)c(-c3ccnc4[nH]ccc34)s2)cc1,1
+CN(C)c1ccc(C(CNC(=O)C(=O)NCC[NH+](C)C)[NH+]2CCc3ccccc3C2)cc1,0
+CC1CC(C)C[NH+](CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1,0
+CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(CO)CC3)CC1)c1ccc(Cl)cc1,1
+CNC(=O)Nc1cc(C)cc2c1=[NH+]C(C(=O)NCc1ccc(OC(C)C)cc1)C=2c1ccccc1,0
+Cc1cccc(NC(=O)C(=O)NCC(c2cccs2)[NH+]2CCCC2)c1C,0
+O=C(NC(c1ccc(Cl)cc1)C1CCNCC1)c1ccc2cnccc2c1,1
+NC1(c2ccc(-c3nc4ccc(-c5nn[nH]n5)cn4c3-c3ccccc3)cc2)CCC1,1
+O=C(NNC(=S)NC1CCCCC1)C1=c2ccccc2=[NH+]C1,0
+NC1(c2ccc(-c3nc4ccc(C(=O)NO)cn4c3-c3ccccc3)cc2)CCC1,1
+NC(=O)c1cc(N)cnc1NC12CC3CC(CC(C3)C1)C2,0
+NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ncccc3-4)cc2)CC(O)(C2CC2)C1,1
+NCC(NC(=O)c1ccc(-c2ccncc2)cc1)c1ccccc1,1
+CC([NH2+]C(C(N)=O)c1ccc(F)cc1)c1ccc(OCC(F)(F)F)cc1,0
+CC(C)C(Sc1nnc(C(C)[NH+](C)C)n1-c1ccc(Cl)cc1)C(=O)NC(N)=O,0
+O=C(NCc1ccc(N2CCCCC2)[nH+]c1)Nc1cc(C(F)(F)F)c[nH]c1=O,0
+NC(COc1cncc(-c2ccc3[nH]nc(-c4nccs4)c3c2)c1)Cc1c[nH]c2ccccc12,1
+CCCC1OC2CC(=O)OC2C2=C1C(=O)c1c(O)cccc1C2=O,1
+Cc1cc(Br)c(NC(=O)C[NH+](C)CCOc2ccc(F)cc2)c(Br)c1,0
+Cc1cc(C)c(C(N)=[NH2+])c(Oc2ccccc2Br)n1,0
+Cc1ccccc1CN(C(=S)Nc1cc(Cl)ccc1C)C1CC(C)(C)[NH2+]C(C)(C)C1,0
+CC(c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC(=O)Nc1ccccc1Oc1ccccc1,0
+COC(=O)c1sccc1S(=O)(=O)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+Nc1c(N(Cc2ccccc2)c2ccccn2)nc[nH+]c1Nc1cc(F)ccc1F,0
+CCC(C)C(=O)N1CC(C(=O)NCCc2ccc(Br)cc2)C2(CC[NH2+]CC2)C1,0
+CN(CCC1=CN=NC1)C1NC2NONC2[NH+]=C1N1CCCCCC1,0
+CCCCN(C)S(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3c(Cl)cccc3s2)cc1,0
+CCCCSC1(SCCCC)[NH+]=C(N)C2(C#N)C(c3ccccc3)[NH2+]C3=C(CCC3)C12C#N,0
+CC1CN(C(=O)CSc2nnc(-c3cccs3)n2N)CC(C)O1,0
+Cc1ccc2cc(C(=O)Nc3ccc(-n4ncc(C#N)c4N)cc3)[nH]c2c1,0
+NC(=[NH2+])CCOc1c(Br)cc([N+](=O)[O-])cc1Br,0
+CCc1ccc(Oc2c(C(F)(F)F)oc3c(CN4CC[NH+](CC)CC4)c(O)ccc3c2=O)cc1,0
+CN(c1cccc(NC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)c1)S(C)(=O)=O,0
+COc1ccc2c(c1)=[NH+]CC=2CCNC(=O)CSC1NN=NN1c1ccc(C)cc1C,0
+Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CNCc2ccccc2)cc1,1
+O=C(CNC(=O)N1CCC2=c3ccccc3=[NH+]C2C1)NCC(O)c1ccccc1,0
+Cc1cc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4Br)CC3)n2)ccc1F,1
+CCOc1cc(CC[NH3+])cc(Br)c1OCC[NH+]1CCCC1,0
+Cc1cc(C[NH+]2CCN(CC(=O)Nc3sc4c(c3C(N)=O)CCCC4)CC2)no1,0
+Cc1ccc2nc(-c3ccc(N4C(=O)CC([NH2+]C(C)C56CC7CC(CC(C7)C5)C6)C4=O)cc3)sc2c1,0
+OCCC(Nc1nc2ccc(-c3ccncc3)cc2s1)c1ccccc1,1
+COc1ccc(Oc2c(C)oc3c(C[NH+]4CC5CC(C4)c4cccc(=O)n4C5)c(O)ccc3c2=O)cc1,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12,1
+CN1C(=O)OC2(CC(C)(C)[NH2+]C(C)(C)C2)C1(C)O,0
+COc1ccc2c(c1)=C1CCNC(c3ccc(OC)c(Cn4nc(C)c(Br)c4C)c3)C1[NH+]=2,0
+O=C(CN1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1)Nc1nc(-c2ccc(Br)cc2)cs1,0
+CC(C)[NH2+]C(COc1c(Br)cc([N+](=O)[O-])cc1Br)C(N)=O,0
+COc1cccc(Cn2cnc3sc4c(c3c2=O)CCC([NH2+]CCc2ccc(F)cc2)C4)c1,0
+CC(=O)Nc1nc2ccc(-c3ccnc(NS(=O)(=O)c4ccccc4F)n3)cc2s1,1
+CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(Cl)c3)cn2CCN2CCC2)CC1,1
+O=C(Cc1nc(N2CCOC(CO)C2)cc(=O)[nH]1)N1CCc2c(F)cccc21,1
+COc1cccc(C(Nc2cccc[nH+]2)c2c(NC(=O)c3ccccc3)sc(C)c2C)c1OC,0
+CC1CCC(NC(=O)C(CC2=c3ccccc3=[NH+]C2)NC(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1,0
+COc1c(Br)cc(Br)cc1CNCC[NH2+]CC(C)O,0
+COc1ccc(OC)c(C=NNc2nc(SCC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)n[nH]2)c1,0
+O=C(NCCC1=c2ccccc2=[NH+]C1)c1ccccc1NC(=O)C1NSc2ccccc21,0
+NC(=O)C1C2=C(CCCC2)SC1NC(=O)CCCC1=c2ccccc2=[NH+]C1,0
+COC(=O)c1cc(Br)cc(Br)c1NC(=O)C1CC(O)C[NH2+]1,0
+OC(C[NH2+]CCNc1ccc(C(F)(F)F)c[nH+]1)CSc1ccc(F)cc1,0
+COc1ccc(C(C)[NH2+]C(C)c2ccccc2O)cc1Br,0
+Cn1ncc(Cl)c1-c1oc(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CCNCC2)cc1Br,1
+N#Cc1c(N)ncnc1N1CCC(c2nc(-c3cnc(F)c(Cl)c3)cn2CCN2CCC2)CC1,1
+O=C(NCCc1ccc(Cl)cc1)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+O=C(O)c1ccc2nc(-c3ccccc3)c(-c3ccc(CN4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)nc2c1,1
+CCCCn1c(N)c(N(C(=O)C[NH+](C)Cc2ccccc2C(F)(F)F)C2CCCC2)c(=O)[nH]c1=O,0
+CC[NH+](CC)CCCNC(=O)c1nn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc2c1Cl,0
+Cn1c(=O)c(C(=O)C=Cc2nc3cc(F)ccc3[nH]2)c(-c2ccccc2)c2cc(Cl)ccc21,1
+CCCCC(=O)N1CC(C(=O)NCc2ccccc2Sc2ccccc2CO)C2(CC[NH2+]CC2)C1,0
+CC(c1cccs1)[NH+](C)CC(=O)Nc1ccccc1SCC(N)=O,0
+COc1cc(C2Nc3ccccc3-c3nnc(SC)nc3O2)cc(I)c1O,0
+Cc1c(C(=O)NNC(=O)NCC(C)[NH+]2CCCCC2C)oc2ccccc12,0
+NC(=O)c1cc(-c2ccccc2)sc1NC(=O)C(=O)c1ccc(F)c(F)c1,0
+CCCC(NC(=O)Cc1ccccc1Cl)C(=O)NC1[NH+]=c2ccccc2=[NH+]1,0
+NC(CNc1nnc(-c2ccc3c(c2)CC(=O)N3)s1)Cc1ccc(C(F)(F)F)cc1,1
+CCC([NH3+])C(c1cccc(Br)c1)N(CCC#N)CC(C)C,0
+COC(=O)c1cc(C2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)oc1C,0
+CNC(=O)C1CCCN1C(c1ccccc1Br)C(C)[NH3+],0
+COc1cccc(C=NNC(=O)C(NC(=O)c2ccc(Cl)c(Cl)c2)C(C)C)c1OC,0
+CC(=O)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)C1,1
+CNC(=O)NC(=O)C(C)[NH+]1CCN(S(=O)(=O)N2CCCC2)CC1,0
+O=C(c1ccc(-c2ccccc2)cc1)N(CCC[NH+]=c1cc(O)oc2ccccc12)Cc1ccccc1,0
+CC(NCC1CCC[NH+](C)C1)c1ccc(S(N)(=O)=O)cc1,0
+[C-]#[N+]C1(c2ccccc2)CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+NC(=[NH2+])CCCOc1c(Br)cc(Br)cc1Br,0
+CCC1c2ccsc2CCN1C(=O)Nc1ccccc1SCC(N)=O,0
+CC1CC(C)C[NH+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1,0
+CC(C)(CO)[NH2+]Cc1cc2cc3c(cc2n(CC[NH+]2CCCCC2)c1=O)OCO3,0
+CN(Cc1cc(Br)cs1)C(C[NH3+])c1cccc(Cl)c1Cl,0
+CNC(=O)c1ccc(NC(=O)NCCCC[NH+]2CCCCC2C)c(C)c1,0
+Cc1ccc(C)c(C(=O)C2=C([O-])C(=O)N(c3nnc(C)s3)C2c2ccc([N+](=O)[O-])cc2)c1,0
+CCONC(=O)c1ccc2c(c1)-c1nc(-c3ccc(C4(N)CC(C)(O)C4)cc3)c(-c3ccccc3)n1CO2,1
+C[NH+](C)C(CNC(=O)NCC(c1cccs1)[NH+](C)C)c1ccco1,0
+O=S(=O)(NC1c2cccc3cccc(c23)C1[NH2+]Cc1ccco1)c1ccc(Cl)cc1,0
+NC1(c2ccc(-c3nc4nc(-n5ccccc5=O)ccn4c3-c3ccccc3)cc2)CCC1,1
+CCCCNC(=O)N(CC[NH+](C)C)CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1C,0
+Cc1cccc(S(=O)(=O)N2CCc3nc(N4CC[NH+](C)CC4)nc(Oc4ccc(F)c(F)c4)c3C2)c1,0
+CSc1ccccc1NC(=O)C[NH+](C)CC(=O)NC(=O)Nc1ccccc1C#N,0
+CC1=NN(c2ccccc2)C(=O)C12Cc1c(C)nn(-c3ccccc3)c1N1CCCCC12,0
+CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)N(C)c2ncccn2)cc1,1
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(C(N)=O)CC4)cc3)nc2n1,1
+Cc1ccc2nc(C(C)NC(=O)C3CN(C(=O)c4cc(C)oc4C(F)(F)F)CC34CC[NH2+]CC4)[nH]c2c1,0
+O=C(NCCC1=c2cc(F)ccc2=[NH+]C1)c1ccc2c(c1)SC(NS(=O)(=O)c1ccccc1)N2,0
+CC1CC(=O)Nc2ncnc(N3CCC(c4nc(CCC(F)(F)F)cn4CCN4CCCC4)CC3)c21,1
+COc1ccc2c(c1)=C(CCNC(=O)CNC(=O)c1ccc3c(c1)C(c1ccccc1)ON3)C[NH+]=2,0
+OCCNCC[NH2+]Cc1c(OCc2ccc(F)cc2Cl)ccc2ccccc12,0
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CNCCc4nccs4)cc3)nc2n1,1
+CCN1C(=O)C2C(c3ccc(O)cc3)[NH2+]C(Cc3ccc(O)cc3)(C(=O)OC)C2C1=O,0
+OC(C[NH2+]CC(O)C1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1,0
+CCN(CC)CCNC(=O)c1ccc2nc(-c3ccc(CN4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)c(-c3ccccc3)nc2c1,1
+COc1ccccc1CNC(=O)CC1C(O)CCC2C(C)(CO)C(OC(=O)NC3CCCCC3)CCC12C,0
+CCOc1cc(C[NH2+]CCNCCO)cc(Cl)c1OCc1ccc(F)cc1Cl,0
+CC(C)(C)c1cc(C2CSCC(C(=O)NCCc3cccc(Cl)c3)[NH2+]2)cc(C(C)(C)C)c1O,0
+CC(NC(=O)C1CC(=O)N(c2ccccc2)C1)C(=O)N=c1[nH]c2ccccc2[nH]1,0
+Cc1n[nH]c(=O)c2c(NC(=O)C[NH+](CC(N)=O)C(C)C)oc(C)c12,0
+COc1ccc2c(c1)=C(CCNC(=O)C1=CNN(C(C)(C)C)C1C1CCN(C(=O)OC(C)(C)C)CC1)C[NH+]=2,0
+CC1(C)CC(=O)C2=C(C1)NC1NC(SC(c3ccccc3)c3ccccc3)NN1C2C1=CC=[NH+]C1,0
+CC1OC2CC(=O)OC2C2=C1C(=O)c1ccccc1C2=O,1
+O=C(Cc1ccccc1)NC(Cc1ccccc1)C(=O)N1CCC2(CC1)[NH2+]CCC1=NC=NC12,0
+CCCN1C(=O)NC(c2ccc(NC(=O)Nc3cc(OC)cc(OC)c3)cc2)C(C(=O)OCC)=C1C,0
+CN(C)c1ccc(C(CNC(=O)C(=O)NCc2ccccc2Cl)[NH+]2CCc3ccccc3C2)cc1,0
+NC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3cnoc3)cn2CCN2CCC2)CC1,1
+CC(C)C1C(=O)OC2CC[NH+]3CC=C(COC(=O)C(C)(O)C1(C)O)C23,0
+Nc1cc(Br)ccc1S(=O)(=O)N1CCCC1CCCO,0
+CC(Nc1cc2[nH]c(=O)[nH]c2cc1Br)C1CCC[NH+](C)C1,0
+Nc1ncnc(N2CCC(c3nc(-c4ccnc(C(F)(F)F)c4)cn3CCNCCCCl)CC2)c1Br,1
+CCOC(=O)C=Cc1c(O)c(O)cc(NS(=O)(=O)c2cccs2)c1SC,1
+C#CCOCC(O)C[NH+](CCC(C)C)Cc1nc2scc(-c3ccccc3OC)c2c(=O)[nH]1,0
+CCOc1ccc(NC(=O)C[NH+](C)C(C)c2nc(N)nc(Nc3ccccc3)n2)cc1OCC,0
+Cc1ccc(NC(=O)CCNC(=O)NCc2cc[nH+]c(N(C)C)c2)c(Cl)c1,0
+CN(C)CCN1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ncccn7)[nH]6)CC5)cc4)nc3n2)CC1,1
+CC(C)c1ccc(NC(=O)C(c2cc3c(cc2[N+](=O)[O-])OCO3)[NH+]2CCC(Cc3ccccc3)CC2)cc1,0
+N#Cc1c(NC(=O)Nc2cccc(Cl)c2)sc2c1CC[NH2+]C2,0
+NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1cnc2ccccc2c1,1
+Cc1cc(NC(=O)C[NH+](C)C(C)c2cccc(S(N)(=O)=O)c2)n(-c2ccc(F)cc2)n1,0
+N[NH+]=C(NC1CCCCC1)c1cc(Br)ccc1F,0
+CN(C)CCN1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccc(=O)[nH]c7)[nH]6)CC5)cc4)nc3n2)CC1,1
+NC(=O)c1ccc(NC2CNCCC2c2cccc(C(F)(F)F)c2)c2cncnc12,1
+O=C(NC1CNCCC1c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)o1,1
+CC[NH+](CC(=O)NC(=O)NC1CCCC(C)C1C)CC(=O)Nc1c(F)cccc1F,0
+[NH2+]=C(Nc1ccccc1)Nc1nc(=O)c2c([nH]1)CCCC2,0
+CCCCn1c(N)c(N(CC)C(=O)C[NH+](C)Cc2cccs2)c(=O)[nH]c1=O,0
+CC(C)[NH2+]C(CSc1ccc(Br)cc1)C(N)=O,0
+[NH3+]C1CCCC1NS(=O)(=O)c1c(F)cc(F)cc1Br,0
+Cc1cccc(C)c1NC(=O)C[NH2+]CCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-],0
+CC([NH2+]CC(C1=c2ccccc2=[NH+]C1)C1CC=CS1)C(=O)NCc1ccc2c(c1)OCO2,0
+N#Cc1cc2c(cc1NS(=O)(=O)c1cccc(S(=O)(=O)c3ccc(Br)cc3)c1)OCO2,0
+Cc1cccc(C)c1NC(=O)C[NH+](C)Cc1nc(N)c2c3c(sc2n1)CCCCC3,0
+COc1c(Br)cc(Br)cc1C1NC(=[NH2+])Nc2nc3ccccc3n21,0
+CC1(C(=O)NCCn2cnc3ccccc32)Oc2ccccc2NC1=O,0
+CC1CCC[NH+](C(C)CNC(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)C1,0
+CC(C)c1ccc(NC(=O)CC2[NH2+]C3CCCCC3NC2=O)cc1,0
+O=C(COC(=O)C(CC1=c2ccccc2=[NH+]C1)NC(=O)c1ccccc1Cl)c1ccccc1F,0
+Cc1ncc(CO)c2cc(C(N)=O)c(=[NH+]c3ccc(Br)cc3)oc12,0
+Nn1c(NN=Cc2cccc(Cl)c2Cl)nnc1SCC(=O)Nc1ccccn1,0
+COC(=O)C1Cc2c([nH]c3ccccc23)C2CC([NH2+]C(C)C)CC(c3ccc(C)cc3)N12,0
+Nc1noc2ccc(-c3cnc(NCC(N)Cc4ccc(C(F)(F)F)cc4)s3)cc12,1
+c1ccc2oc(-c3n[nH]cc3C[NH2+]Cc3nnc4n3CCC4)cc2c1,0
+CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCCC3C)ccc21,0
+OC(COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C[NH+]1CCN(c2ccc(F)cc2)CC1,0
+CC[NH+](CC)CCc1noc(-c2cc(Br)cc(Br)c2N)n1,0
+OCCC[NH2+]CC(O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21,0
+C[NH2+]C(c1ccc2[nH]c(=O)[nH]c2c1)c1cc(Br)ccc1Cl,0
+CC(=O)Nc1nc2ccc(-c3ccnc(N(C)S(=O)(=O)c4ccccc4F)n3)cc2s1,1
+NC1(c2ccc(-n3c(-c4cccnc4F)nc4ccc(-c5ccccc5)nc43)cc2)CCC1,1
+Nc1cc(F)c(S(=O)(=O)NC2C[NH+]3CCC2CC3)c(F)c1,0
+COc1ccccc1C(C(C)[NH3+])N1CCc2sccc2C1,0
+Cc1ccc(NC(=S)N(CC[NH+](C)C)Cc2cc3cc(C)cc(C)c3[nH]c2=O)c(C)c1,0
+COc1cccc2c1=CC(C(=O)NC(C)C(=O)NC1Nc3ccccc3S1)[NH+]=2,0
+COc1cc(C(C)[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)ccc1OCCO,0
+COc1ccc2c(c1)=C(CCNC(=O)CCC1Nc3ccc[nH+]c3N1c1ccccc1)C[NH+]=2,0
+CCC(C)c1ccccc1NC(=O)CN1C(=O)NC(c2ccc(OC)cc2)(c2ccc(OC)cc2)C1=O,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)cc12,1
+CC(C)C([NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1)C(=O)NC(C)(C)C,0
+C=CC[NH+](CC(=O)N(CCCC)c1c(N)n(CCC)c(=O)[nH]c1=O)Cc1ccccc1F,0
+Cc1ccc(S(=O)(=O)Oc2c(C(C)C)cc(Nc3ccc(S(N)(=O)=O)cc3)cc2C(C)C)cc1,0
+N#Cc1c(NC(=O)CC[NH+](CC(N)=O)C2CCCC2)sc2c1CCCCC2,0
+NS(=O)(=O)c1ccc([NH+]=c2oc3cc(O)ccc3cc2C(=O)Nc2cccc(Cl)c2Cl)cc1,0
+O=C([O-])c1ccc(=NS(=O)(=O)c2ccccc2Cl)[nH]c1,0
+CC(C)N(C)C(=O)c1c(-c2ccc3[nH]ncc3c2)nnn1Cc1ccccc1,1
+CC(C)CC[NH+]1CCN(C(=O)NC(C)c2cccc(S(N)(=O)=O)c2)CC1,0
+CC1CCCC([NH2+]CC(O)COc2cc(Cl)ccc2Cl)C1,0
+Cc1cccn2c(=O)c3cc(C(=O)NC(C)C)c(N)[n+](CCO)c3nc12,0
+COc1ccc(OC)c(NC(=O)Nc2c(O)oc3ccccc3c2=[NH+]C2CCCC2)c1,0
+OC(C[NH+]1CCC(O)(c2ccccc2F)CC1)c1ccc2ccccc2c1,0
+CNC(=O)C1CCN(c2nc(N3CCOCC3C)c3ccc(-c4ccc(N)nc4)nc3n2)CC1,1
+O=C(NC(c1ccccc1)C1CCNCC1)c1ccc2cnccc2c1,1
+NC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)cc3)cn2CCN2CCCC2)CC1,1
+CC[NH+]1CCc2c(sc(NC(=O)c3sc4ccccc4c3Cl)c2C(N)=O)C1,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)c2cccc(Cl)c2Cl)CC12CC[NH2+]CC2,0
+CCOc1cc(C[NH2+]C2CCCN(CC(N)=O)C2)ccc1OCc1ccccc1,0
+CC([NH+](C)CC(=O)Nc1ccc(N)cc1Br)C(C)(C)C,0
+CCOC(=O)c1c(NC(=O)COc2ccc(C(C)C)cc2Br)sc(C)c1C,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)c2ccccc2Cl)CC12CC[NH2+]CC2,0
+CCOc1ccc(NC(=S)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1,0
+CCC[NH2+]C(C[NH3+])c1cc(Br)c2c(c1)OCCCO2,0
+CC1CCC[NH+](C(C)(C)CNC(=O)NCC(=O)NCc2ccco2)C1,0
+O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4cc5[nH]cnc5cc4nc3-c3ccccc3)cc2)CC1,1
+COc1ccc(-c2ccc(C[NH2+]CCc3ccc(S(N)(=O)=O)cc3)o2)cc1Cl,0
+Cc1ccc(N2C(=NC(=O)C3CC3)SC3CS(=O)(=O)CC32)cc1C,0
+C[NH+]1CCN(C(=O)CC2CCN(C(=O)CN3CCCCCCC3=O)CC2)CC1,0
+COc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1C#N,1
+NC1=NC(N2CCCC(Cn3cc(CO)nn3)C2)C2=CN=NC2=[NH+]1,0
+CC(Sc1nnc(C(C)[NH+](C)C)n1-c1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1Cl,0
+CC1=NN(C(=O)c2ccc(N)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,1
+CCC([NH3+])C(SCC(=O)OC)c1ccc(Br)s1,0
+O=C1c2ccccc2C(=O)c2c3c(cc(NCC[NH2+]CCO)c21)N(CCO)CCN3,0
+CC[NH2+]C(C)(COc1c(Br)cc([N+](=O)[O-])cc1Br)C(N)=O,0
+NC(=O)c1cccc2c(NC(CN3CCC3)c3ccc(F)c(C(F)(F)F)c3)ncnc12,1
+CCC([NH3+])C(Sc1nc2ccccc2o1)c1cc(Br)cs1,0
+COc1cccc(C[NH3+])c1OCCOc1ccc(C(C)(C)c2ccccc2)cc1,0
+[NH2+]=C(NCCc1cc(Cl)c2c(c1)OCCO2)Nc1ccccc1,0
+COCC(O)CN(C)C(c1cc(Br)cs1)C(C)[NH3+],0
+Nc1cc(Nc2ccc(F)c(F)c2)cc(S(N)(=O)=O)c1,0
+O=C(NCCC1=c2ccccc2=[NH+]C1)C(=O)Nc1ccccc1C(=O)NCc1ccccn1,0
+Cc1ccccc1Cn1cc(C=NNc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c2ccccc21,0
+CC(C=NNC(=O)c1nnn(-c2nonc2N)c1C[NH+](C)C)=Cc1ccco1,0
+CC(O)C[NH2+]Cc1cc(Br)ccc1OCC(=O)NC(C)(C)C,0
+NC(=[NH2+])SCc1nc([O-])c2cc(Br)cc(Br)c2n1,0
+COc1ccc(NC(=O)c2cc3cccc(OC)c3oc2=[NH+]c2ccc(S(N)(=O)=O)cc2)cc1,0
+O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4cc5[nH]cnc5cc4nc3-c3ccccc3)cc2)CC1,1
+CC(NC(=O)C[NH2+]C(c1cccs1)C(C)C)c1ccc(NC(=O)C2CC2)cc1,0
+CS(=O)(=O)N1N=C(C2C(=O)[NH+]=c3ccc(Cl)cc3=C2c2ccccc2)CC1c1ccccc1Cl,0
+CCC([NH2+]CC(O)COC(C)c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2,0
+Nc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CN5CCC(n6cnc(-c7ccccn7)c6)CC5)cc4)nc3ccn12,1
+COC(=O)c1c(N=Cc2cc(Br)cc(Br)c2O)sc2c1CC[NH+](C)C2,0
+COc1ccccc1C(=O)NNC(=O)NCC(C)Cn1cc[nH+]c1C,0
+O=C(CNC(=O)N1CCC2=c3cc(Cl)ccc3=[NH+]C2C1)Nc1ccc(OC(F)(F)F)cc1,0
+Cc1ccc(C)c(NC(=S)NNC(=O)CCNC(=O)c2ccsc2)c1,0
+Cc1cccc(N)c1NC(=O)C[NH+](C)C(C)c1cccs1,0
+NC1(c2ccc(-c3nc4c5cc(-c6ccc(CO)cc6)ccc5nn4cc3-c3ccccc3)cc2)CCC1,1
+Cc1cc(Br)ccc1NC(=O)C[NH+](C)C(C)C(=O)NCCC1=CCCCC1,0
+CC1Cc2cc(F)ccc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)n1C,1
+CCOc1ccc(NC(=O)CSc2ncnc3scc(-c4ccc(Cl)cc4)c23)cc1,0
+CCOc1c(Br)cc(Br)cc1C[NH2+]C(C)C(=O)NC,0
+CC[NH+](CC)CCN(C(=O)c1cc2ccccc2oc1=O)c1nc2ccc(Br)cc2s1,0
+COc1ccc(C(C)[NH2+]C(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1F,0
+Cc1cccc(NC(=O)Nc2ccc3nc(SCC(=O)Nc4ccc(F)cc4)sc3c2)c1C,0
+Cc1ccc(C2c3cc(OCc4ccc(C(=O)NCC[NH+]5CCCC5)o4)ccc3CCN2C(=O)C2CC2)cc1,0
+CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2OC(F)F)cc1,0
+O=C(NC1CC1)NC1(C(=O)[O-])CCCCCC1,0
+Nc1c(N(Cc2ccccc2)c2ccccn2)nc[nH+]c1Nc1cccc2cccnc12,0
+CCCCC([NH3+])c1nc(C(=O)NC2c3ccccc3-c3ccccc32)co1,0
+CC[NH+](CC)CCN(C(=O)C1CCCN1S(=O)(=O)c1cccs1)c1nc2c(C)c(C)ccc2s1,0
+O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1F)c1ccc(C(=O)C(=O)c2ccccc2)cc1,0
+COc1ccc(C2CC(O)(C#Cc3ccccc3)C(C)C(c3ccc(OC)cc3)[NH2+]2)cc1,0
+NC(=[NH2+])c1cccc(-c2cccc(C(CCCNc3cc[nH+]cc3)C(=O)[O-])c2)c1,0
+CCCCn1c(N)c(N(C(=O)C[NH+](C)Cc2cccc(Cl)c2Cl)C2CCCC2)c(=O)[nH]c1=O,0
+O=C(C=Cc1nc2ccccc2[nH]1)c1c(O)nc2ccc(Cl)cc2c1-c1ccccc1,1
+CCN1C(=O)NC(c2ccccc2C(F)(F)F)C2=C1CN(C(C(=O)NCC[NH+](C)C)c1ccccc1)C2=O,0
+O=C(N1CCN(c2ncnc3[nH]nc(Br)c23)CC1)C1(c2ccc(Br)cc2)CCNCC1,1
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1ccc(F)c([N+](=O)[O-])c1,1
+CC1CCCC(NC(=O)NC(C)C(=O)[O-])C1,0
+COc1ccc(NC(=[NH2+])Nc2nc(CSc3ccc(Cl)cc3)cc(=O)[nH]2)c(OC)c1,0
+Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)oc2c1C(=NNC(N)=[NH2+])CC(C)(C)C2,0
+NC(=[NH2+])c1cc2c(nc1Sc1ccc(Cl)cc1)CCCC2,0
+Cc1ccc2[nH+]c(CNC(=O)Nc3ccccc3C[NH+]3CCSCC3)cn2c1,0
+CNC(=O)C1CCC[NH+]1CC(=O)Nc1cc(N)ccc1F,0
+CCC(C)[NH2+]C(C(N)=O)c1cc(Br)c2c(c1)OCCCO2,0
+CC(C)(C)c1cc(C2CSCC(C(=O)NCCc3cccc(Cl)c3)[NH2+]2)cc(C(C)(C)C)c1O,0
+O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)Nc3ccccc3F)CC2)C1=O)N1CCOCC1,0
+Cc1ccc(OCC[NH+](C)CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1,0
+Cc1ccc(NC(=O)COc2ccc(Br)cc2C[NH2+]CCO)cc1,0
+CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1C(O)CC(O)C(O)C1O)OC,1
+O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)c1,0
+CC=C(C)C[NH+]1CCC(O)(c2ccc3oc(C(=O)Nc4ccc5c(c4)OCO5)cc3c2)CC1,0
+COc1cc2ncc3c(N)nc(-c4cncc(OCC(N)CC(C)C)c4)cc3c2cc1OC,1
+CSc1ccccc1NC(=O)C(C)[NH+](C)CC(=O)Nc1c(C)cc(C)cc1C,0
+Oc1ccc(-c2ccc3c(c2)OCO3)cc1C[NH2+]CC1CC2C=CC1C21CC1,0
+CCc1cc(C(Nc2cccc(C)[nH+]2)c2ccc(OC)cc2OC)c(NC(=O)c2ccco2)s1,0
+COc1cc(NC(=O)OC2CCC3(C)C(CC(=O)NCc4ccco4)C(O)CCC3C2(C)CO)cc(OC)c1,0
+Cc1ccc(C(CNC(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)[NH+]2CCCC2)o1,0
+CC1c2ccsc2CCN1C(=O)C1CCN(C(=O)N2CCCC2)CC1,0
+CCc1ccc2c(c1)C(c1ccc(Cl)cc1)C(C(=O)NCCC1=c3cc(OC)ccc3=[NH+]C1)N2C,0
+Cc1ccc(NC(=S)N(Cc2ccc(N(C)C)cc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1,0
+CC(=O)NC1Nc2ccc(C(=O)NC(C)CC3=c4ccccc4=[NH+]C3)cc2S1,0
+CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCCCCN)c21,1
+CCCCNC(=O)NC1(C(=O)NCCC[NH+](C)CC(F)(F)F)CCCCC1,0
+COc1ccc(OC)c(Nc2ncnc(NC3CC(C)(C)[NH2+]C(C)(C)C3)c2[N+](=O)[O-])c1,0
+Cc1[nH]ncc1S(=O)(=O)N1CCC(N2CCNC2=O)CC1,0
+O=S(=O)(C1=Cc2ccccc2CC1)N1CCCC1c1ccc2c(c1)OCCCO2,0
+CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cc(C#N)ccc3-4)cc2)C1,1
+CNC(=O)Cc1ccccc1NC(=O)NCC(C)(C)[NH+]1CCCCC1,0
+FC1(F)CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)C1,1
+OC(COc1ccccc1C[NH2+]Cc1cnc2ccccn12)C[NH+]1CCc2ccccc2C1,0
+O=C(NCCNc1ccccc1)C1CN(C(=O)c2cccc(Cl)c2F)CC12CC[NH2+]CC2,0
+NC(=O)c1c(NC(=O)CN2CCC([NH+]3CCCC3)CC2)sc2c1CCC2,0
+Cc1ccc(CCNC(=O)C2C[NH2+]CC2C(=O)NC(C)CC(C)C)cc1,0
+CC(NS(=O)(=O)C=Cc1ccccc1)C(=O)NNC(=O)CC1=c2ccccc2=[NH+]C1,0
+CCOC(=O)C1=C(N)C(C2[NH+]=c3ccccc3=[NH+]2)C(Nc2ccccc2)S1,0
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(C(=O)Nc5ccncc5)CC4)cc3)nc2n1,1
+CCOc1ccccc1C(=O)N1CC(C(=O)NCCCC[NH+](C)C)C2(CC[NH2+]CC2)C1,0
+CC[NH2+]C(CCC(C)C)c1cc2[nH]c(=O)[nH]c2cc1Br,0
+CC(NC(=O)NCC(c1cccs1)[NH+]1CCCC1)c1cccc(S(N)(=O)=O)c1,0
+COc1ccc(-c2c3c(n(C4OC(CO)C(O)C(O)C4O)c(=S)c2C#N)CCC3)cc1,0
+Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(C2(N)CCC2)cc1,1
+OCCCC[NH2+]Cc1c(OCc2ccc(F)cc2Cl)ccc2ccccc12,0
+Cc1ccc(CSC2NNC(C(CC3=c4ccccc4=[NH+]C3)NC(=O)OC(C)(C)C)O2)cc1,0
+CSc1ccc(C(Nc2cccc[nH+]2)c2c(NC(=O)c3ccco3)sc(C)c2C)cc1,0
+COCCN(C)C(=O)c1c(-c2ccc3[nH]ncc3c2)nnn1Cc1ccccc1,1
+Cc1nc(C[NH+](C)Cc2c(N)cccc2Br)cs1,0
+CCOc1ccc(N2C(=O)Nc3ccc(Br)cc3C2(O)C(=O)NCCC[NH+](C)C)cc1,0
+CC(N)C1CCC(C(=O)Nc2ccnc3[nH]ccc23)CC1,1
+CCc1cc2c(cc1C1CSCC(C(=O)NCc3ccccc3C)[NH2+]1)C(C)(C)CCC2(C)C,0
+O=C(Nc1ccc(Br)cc1C(F)(F)F)C1CC(O)C[NH2+]1,0
+CCn1c(SC2C(=O)[NH+]=c3ccc(Cl)cc3=C2c2ccccc2Cl)nnc1-c1ccccc1,0
+CCOc1cccc(C2CC(c3cccc(OC)c3)=NC(c3ccc(C)cc3)[NH2+]2)c1O,0
+CCCOc1ccc(Br)cc1C[NH2+]CCCS(N)(=O)=O,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)c2cccc(Cl)c2)CC12CC[NH2+]CC2,0
+[NH3+]C1C(c2ccccc2)C(CSC2[NH+]=c3ccccc3=[NH+]2)NN1c1ccc(F)cc1F,0
+CC1CCc2c(sc(NC(=O)CC3SC(=O)NC3=O)c2C(=O)NC2CCS(=O)(=O)C2)C1,0
+CCOc1c(Br)cc(Br)cc1C[NH2+]CCS(N)(=O)=O,0
+Nc1ncccc1-c1nc2cc(-c3cccnc3)cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,1
+O=C(c1ccco1)N1CCOC(c2ccccc2Cl)C1,0
+Cc1cc(-c2onc(C)c2C(=O)N2CC(C(=O)NC(C)CCCC(C)(C)O)C3(CC[NH2+]CC3)C2)no1,0
+C[NH+](C)CC(C)(C)CNC(=O)C1CN(C(=O)c2ccc3ccccc3c2)CC12CC[NH2+]CC2,0
+O=C(c1cnc(-c2cccs2)s1)N1CCCC1c1nnc2n1CCCCC2,0
+CC[NH+]1CCCC1CN(Cc1ccco1)C(=S)NC1CC(C)(C)[NH2+]C(C)(C)C1,0
+Cc1ccc(CN(CCCO)C(=O)c2ccc(F)c(O)c2)s1,0
+CC(CCCSc1cccc(Br)c1)([NH2+]C1CC1)C(N)=O,0
+O=C1[NH+]=c2cc3c(cc2=CC1CN(Cc1ccccc1)S(=O)(=O)c1ccccc1Cl)OCCO3,0
+NS(=O)(=O)c1ccc(CC[NH+]=C(NS(=O)(=O)c2cccs2)c2ccccc2)cc1,0
+CC(=O)Nc1ccccc1NC(=O)C[NH2+]C(C)C12CC3CC(CC(O)(C3)C1)C2,0
+N#Cc1cccc(CC(N)COc2cncc(C=Cc3ccncc3)c2)c1,1
+CCC1CCCC[NH+]1CC(=O)NCc1ccc(S(N)(=O)=O)cc1,0
+CCOCCOc1ccc(C[NH+]2CCNC(=O)C2CC(=O)NN)cc1,0
+Cc1ccc2c(COC(=O)C(NS(=O)(=O)c3ccc4ccccc4c3)C(C)O)cc(=O)oc2c1C,0
+CC(CN(C)S(=O)(=O)c1ccc(Br)s1)C(N)=S,0
+O=P1(c2ccccc2O)N[NH+]2CC3C=C(Cc4ccccc4)C(Cc4ccccc4)=CC3CC2CO1,0
+CCNC(=O)NC(=O)COC(=O)C1CSC2(C)CCC(=O)N12,0
+CC(C)(C)c1cc(C(c2ccc(F)cc2)[NH+]2CCN(CCO)CC2)cc(C(C)(C)C)c1O,0
+Cn1ncc(Cl)c1-c1csc(C(=O)NC2CNCCC2c2ccc(Cl)cc2)c1,1
+CCCCC(CC)CN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(CCC)c2N2CC[NH+](C)CC2)SC1=S,0
+CC([NH2+]C(C)c1ccsc1)c1ccc(S(N)(=O)=O)cc1,0
+Nc1cc(N2CCC(c3nc(-c4ccc(F)c(F)c4)cn3CCN3CCCC3)CC2)ncn1,1
+CC(N)=C(C#N)C(=O)CSc1ncc(C(F)(F)F)cc1Cl,0
+C=CC[NH+]=C(N)NCc1ccccc1CN1CCN(c2ccccc2)CC1,0
+CN1C(=O)c2ccccc2NC1(C)c1ccc(OCC(=O)[O-])cc1,0
+O=C(CCN1NNc2ccccc2C1=O)NCCC1=c2cc(Cl)ccc2=[NH+]C1,0
+CCc1cccc2c1=[NH+]CC=2C(=O)C(=O)NC1SC2CCCCC2C1C(N)=O,0
+N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2C2CNC2)CC1,1
+Nc1nc(Sc2nc(C[NH+]3CCCCC3)nc3sc4c(c23)CCCC4)n[nH]1,0
+CN(C)CC(NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1,1
+COc1ccc(N(CC(=O)NN=Cc2cc(Br)c(C)o2)S(=O)(=O)c2ccc(C)cc2)cc1,0
+NC1(c2ccc(-c3nc4nc(OCCN5C(=O)c6ccccc6C5=O)ccn4c3-c3ccccc3)cc2)CCC1,1
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4ccc(Br)c(F)c4)c3)cc12,1
+Cc1ccc(S(=O)(=O)N(CC(=O)NCCCN2CC[NH+](C)CC2)c2cccc(C(F)(F)F)c2)cc1,0
+CC(C)c1ccc(NC(=O)C(C2CCCC2)[NH+]2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1,0
+NC(COc1cncc(-c2ccc3[nH]c(=O)sc3c2)c1)Cc1c[nH]c2ccccc12,1
+CC(=O)c1ccc(NC(=S)N(Cc2ccccc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1,0
+CCC(C)c1ccc(-n2c(SC(C(=O)NC(N)=O)C(C)C)nc3ccccc3c2=O)cc1,0
+COc1cccc(NC(=O)c2cc3c(ccc4ccccc43)oc2=[NH+]NS(=O)(=O)c2ccc(C)cc2)c1,0
+CC([NH2+]C(C)c1ccc(S(N)(=O)=O)cc1)C(=O)NCCc1ccc(F)cc1,0
+C[NH+](CC(=O)Nc1ccccc1SCC(N)=O)Cc1ccc(C(C)(C)C)cc1,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)c2ccccc2)CC12CC[NH2+]CC2,0
+COc1ccc(C[NH2+]CC2C3CC4CC(C3)CC2C4)cc1OCC(O)C[NH+]1CCCC1,0
+CC([NH2+]CC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccc(F)cc1,0
+CC1CC(=O)Nc2ncnc(N3CCC(c4nc(C5CCOCC5)cn4CCN4CCCC4)CC3)c21,1
+CC1OC2CC(=O)OC2C2=C1C(=O)c1ccccc1C2=O,1
+OCC([NH2+]CC1CCCO1)c1cc(Br)cs1,0
+CC[NH2+]CCNC(=O)c1c(O)n(C2CC2)c2c(c1=O)CCCC2,0
+CCOc1ccc(C[NH2+]C23CC4CC(CC(O)(C4)C2)C3)cc1Br,0
+Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,1
+N[NH+]=C(Cc1ccc(Br)cc1)Nc1ccccc1,0
+COCCOc1cc(F)ccc1NC(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+O=C(C[NH+]1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)Nc1ccc(F)c(Cl)c1,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4csc5ccccc45)c3)cc12,1
+NS(=O)(=O)c1ccc(CC[NH2+]CC(O)COC(c2ccccc2)c2ccccc2)cc1,0
+CCCC[NH+](CC(N)=O)CC(=O)NCC(=O)Nc1cccc(Cl)c1C,0
+Cc1ccc2ccc(C(Nc3cccc(C)[nH+]3)c3ccc(C)s3)c(O)c2n1,0
+OC(COc1ccccc1C[NH2+]CCC1=CN=NC1)C[NH+]1CCc2ccccc2C1,0
+CC(CNC(=O)C1CSCC(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)[NH2+]1)c1ccccc1,0
+CC(C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCN(Cc2cccs2)CC1,0
+COCc1nnc(NC(=O)CC2(CN3CN[NH2+]N3)CCCCC2)s1,0
+COc1cc2c(cc1OC)C(C(C)NS(=O)(=O)c1ccc(C)cc1)[NH+](Cc1ccccc1C)CC2,0
+[NH2+]=C(NCc1ccccc1)NCc1nn(-c2ccccc2)c2c1CCC2,0
+CC(=NNC(=O)C[NH+]1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)c1ccc(C)cc1,0
+Cc1ccc(NC(=O)NCC(c2ccco2)[NH+]2CCCC2)c(Br)c1,0
+Cc1c(C(=O)NC(C)c2[nH]cc(-c3ccccc3)[nH+]2)[nH]c2c1C(=O)CCC2,0
+O=C(Nc1cccc(S(=O)(=O)NC2=[NH+]CCC2)c1)c1ccccc1CCc1ccccc1,0
+Cc1n[nH]c2ccc(-c3cc(OCC(N)Cc4ccccc4)cnc3-c3ccoc3)cc12,1
+Cc1ccc2nc(SC(c3ccc(Br)s3)C(C)[NH3+])[nH]c2c1,0
+COc1ccc(Br)cc1C=C1Oc2c(C[NH+]3CCCCC3)c(O)cc(C)c2C1=O,0
+O=C(CSc1nnc(Nc2cccc(Br)c2)s1)N1CCN(c2cccc[nH+]2)CC1,0
+CC1CC[NH+](C(C)CNC(=O)CCCCC2SCC3NC(=O)NC32)CC1,0
+CNC(=O)c1ccc(NC(=O)NCc2nnc3ccccn23)c(C)c1,0
+COc1cccc(C(=O)c2sc(Nc3cc(C)ccc3C)c(S(=O)(=O)c3ccc(C)cc3)c2N)c1,0
+CCOc1cc(C[NH2+]C(C)c2ccccc2Br)ccc1O,0
+CC([NH2+]C1CCCCCC1)(C(N)=O)c1cccc(Br)c1,0
+COc1ccc(S(=O)(=O)NCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)cc1,1
+NC1(c2ccc(-c3ncc4ccccc4c3-c3ccccc3)cc2)CCC1,1
+CCCN1C(=O)NC(c2cccc(NC(=O)Nc3cc(OC)cc(OC)c3)c2)C(C(=O)OC(C)C)=C1C,0
+CC1Cc2c(Br)cccc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)n1C,1
+C[NH+](CCCNc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-])Cc1ccccc1,0
+CC(=O)NC1Nc2ccc(CC(=O)NCCC3=c4ccccc4=[NH+]C3)cc2S1,0
+Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1C(=NNC(N)=[NH2+])CCC2,0
+CC1=C(C(N)=O)C(c2cccs2)C(C#N)=C(SCC(=O)Nc2ccccc2)N1,0
+CNC(=O)c1ccc(NC(=O)NC(C)C[NH+]2CC(C)CC(C)C2)c(C)c1,0
+O=C1CC(O)C(C2=CC(=O)c3ccccc3C2=O)O1,1
+C[NH+](C)CCNS(=O)(=O)c1c(N)cc(Cl)cc1Cl,0
+[NH2+]=C1Nc2nc3cc4c(cc3n2C(c2cccc(C(F)(F)F)c2)N1)OCCCO4,0
+CCOc1ccc(NC(=S)NC(C)C(c2cccs2)N2CC[NH+](Cc3ccccc3)CC2)cc1,0
+O=C(NCCc1cccs1)C1CN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC12CC[NH2+]CC2,0
+Cc1ccc(C)c(NC(=O)C(C)[NH2+]C(C)c2ccc3c(c2)CCC(=O)N3)c1,0
+CC1CN(c2ccc(CNC(=[NH2+])NC3CCCC3)cc2F)CC(C)O1,0
+Cc1c[nH]c2ncnc(N3CCC(N)(CNC=O)C3)c12,1
+COc1ccc2c(c1)=C1CCN(C(=O)Nc3cccc(Br)c3)C(c3ccc(C)cc3)C1[NH+]=2,0
+NC(=O)C[NH+]1CCC(Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1,0
+O=C(NC(Cc1ccccc1)C(=O)N=c1[nH]c(C[NH+]2CCCCC2)cs1)OCc1ccccc1,0
+O=C1C2CC3=c4ccccc4=[NH+]C3C(c3ccc([N+](=O)[O-])cc3)N2C(=O)CN1CCc1ccc(Cl)cc1,0
+Nc1ncnc2c1c(-c1cccc(O)c1)cn2C1CC(CN2CCC2)C1,1
+Cc1c(CCC(=O)NCc2ccccc2C[NH+](C)C)c(=O)[nH]c2c1c(=O)[nH]n2C,0
+CCC(=O)NC1NNC(CC(=O)NN=CC2=c3ccccc3=[NH+]C2)S1,0
+NC(=O)c1cc(-c2cn[nH]c2)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12,1
+NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cnccc3-4)cc2)CCC1,1
+Cc1ccccc1NC(=S)NCC1([NH+]2CCCCC2)CCCCC1,0
+Nc1ccc(Cl)cc1S(=O)(=O)NCC1CC[NH+](C2CC2)C1,0
+NC(=O)c1ccsc1NC(=O)C[NH+]1CCCN(Cc2cccs2)CC1,0
+Cc1ccccc1NC(=S)NN=C1C(=O)N(CN2CCN(c3cccc[nH+]3)CC2)c2ccccc21,0
+CCC[NH+]1Cc2cccc(NC(=O)C(=O)NCc3ccccc3C[NH+](C)C)c2C1,0
+COCCNCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,1
+CN(C)c1nc(N)nc(CCNC(=O)Nc2ccc(N(C)C)[nH+]c2)n1,0
+O=C(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)Nc1cccc(F)c1,1
+CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC(=O)N3)C(C)C1)c1ccc(Cl)cc1,1
+O=CC(NS(=O)(=O)[O-])C(O)C(OC1OC(C(=O)[O-])=CC(O)C1OS(=O)(=O)[O-])C(O)CO,0
+CC(C)C(NC(=O)c1ccccc1Cl)C(=O)NCC(c1ccccc1Cl)[NH+]1CCCC1,0
+NS(=O)(=O)c1ccc(CCNC(=O)CC[NH+]2CCc3sccc3C2)cc1,0
+CC(O)CN(CC(C)O)C(=O)c1ccc(-c2ccc3c(c2)CCC2(CC[NH+](C)CC2)O3)cc1,0
+C=CCNC(=O)C[NH+]1CCN(C(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1,0
+CCOc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C)c3)cn2CCO)CC1,1
+NS(=O)(=O)c1ccc(C[NH2+]CC(=O)NCCCNc2ccc([N+](=O)[O-])cc2)cc1,0
+Cn1c(CC(=O)N2CCc3c(Br)cccc32)nc(N2CCOCC2)cc1=O,1
+CCc1ccccc1NC(=O)Nc1cc(C)cc2c1=[NH+]C(C(=O)N1CCOCC1)C=2c1ccccc1,0
+CCCCn1c(CSC2[NH+]=c3ccc(OC)cc3=[NH+]2)nc2cc(S(N)(=O)=O)ccc21,0
+O=C(CCC1CCCCC1)NNC(=O)NC1CCSc2ccc(F)cc21,0
+C=CC[NH+](CC=C)C(CNC(=O)Nc1ccc(C(=O)NC)cc1C)C(C)C,0
+N#CC1=C(N)OC2=NN=C(c3ccc(Br)cc3)C2C1c1ccc(OC(=O)c2ccco2)cc1,0
+CC(C)NC(=O)c1cccc(CNC(=O)NCc2cccc(C[NH+](C)C)c2)c1,0
+[NH2+]=C1Nc2nc3ccccc3n2C(c2ccc(-c3cccs3)cc2F)N1,0
+CC(NC(C)c1ccc(F)cc1F)C(=O)Nc1ccc(S(N)(=O)=O)cc1,0
+CC(NC(=O)C[NH2+]C(c1cccs1)C(C)C)c1ccc(NC(=O)C2CC2)cc1,0
+NC(COc1cc(C=Cc2ccncc2)cnc1Cl)Cc1c[nH]c2ccccc12,1
+Cc1cc(C)c2c(n1)sc1c(N)ncnc12,1
+Cc1nc(N)nc2c1cc(-c1cn[nH]c1)c(=O)n2C1CCC(OCO)CC1,1
+CC([NH3+])C(c1ccc(Br)cc1)N(C)Cc1cc(Br)cs1,0
+NC(=O)NCC(=O)N1CCC2=c3ccccc3=[NH+]C2C1c1cccc(C(F)(F)F)c1,0
+CCOC(=O)N1CCC(NC(=O)C[NH+]2CCCC(CCC(N)=O)C2)CC1,0
+Cc1ccc(CN(C(=O)Cc2ccccc2C)C(C(=O)NC(C)(C)C)c2c(O)cc(O)cc2O)o1,0
+Cc1ccc(N2C(SCC3[NH+]=c4ccccc4=[NH+]3)NNC2c2ccco2)cc1,0
+CCCCC(C)C(=O)N1CC(C(=O)NC2CCCC(C)C2C)C2(CC[NH2+]CC2)C1,0
+Cc1ccc(S(=O)(=O)N=C2[NH+]=c3ccccc3=[NH+]C2Nc2cccc(Br)c2)cc1C,0
+CCOc1ccccc1CCNC(=O)C1CN(C(=O)CCc2ccccc2)CC12CC[NH2+]CC2,0
+CCOc1cccc(NC(=O)c2cc3ccc(OC)cc3oc2=[NH+]c2ccc(S(N)(=O)=O)cc2)c1,0
+CCC[NH+]1CCC2(CC1)Oc1ccc(Br)cc1C1C=C(c3ccc(Br)cc3)NN12,0
+CC1Cc2ccc(F)cc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)[nH]1,1
+OC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1,1
+CC(C)CC(C)NC(=O)C1C[NH2+]CC1C(=O)NC1CCCc2ccccc21,0
+O=C(NCCc1ccccc1Cl)C1CSCC(c2ccc(C(F)(F)F)cc2)[NH2+]1,0
+COc1ccc2c(c1)=[NH+]C(C(=O)NCCC[NH+](Cc1ccccc1)C(C)C)C=2Sc1ccccc1,0
+Cn1c(SCC(=O)NN=Cc2ccc(Br)cc2)nnc1-c1cccc(Br)c1,0
+CCCCOc1ccc(C2NC(=[NH2+])Nc3nc4ccccc4n32)cc1,0
+CCOc1cc(C[NH3+])cc(Br)c1OC1CCCCNC1=O,0
+CCCOc1ccc(C2=NOC(C3C(=O)[NH+]=c4ccccc4=C3O)N2)cc1,0
+CSCC(=O)N1CC[NH2+]C(C(=O)NC(Cc2cccs2)C(N)=O)C1,0
+COC(=O)c1oc2c(c1C)C(=NNC(N)=S)CC(C)(C)C2,0
+Cl.Cn1nccc1-c1ccc(C(=O)NC2CNCCC2c2ccc(F)c(F)c2)c(F)c1,1
+N#Cc1c(O)[nH]c(=O)c2c(=N)oc3ccc(Cl)cc3c12,1
+CCCCCCCCc1ccc(S(=O)(=O)Nc2nncs2)cc1,1
+C[NH+](C)CCNc1cc2nc[nH]c(=O)c2cc1N,0
+CCOC(=O)c1ccc(NC(=O)Nc2c(O)oc3ccccc3c2=[NH+]C2CCCCC2)cc1,0
+NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1cnc2ccccc2c1,1
+Cc1ccc(CSC2NNC(C(CC3=c4ccccc4=[NH+]C3)NC(=O)OC(C)(C)C)O2)cc1,0
+CCc1cnn2cc(-c3ccccc3)c(-c3ccc(CN4CC(c5n[nH]c(-c6cccc(C)n6)n5)C4)cc3)nc12,1
+NC1(c2ccc(-c3nc4c(O)cccn4c3-c3ccccc3)cc2)CCC1,1
+Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C(=O)NCCC[NH+](C)C)cc1,0
+[NH3+]CC(O)COc1c(Br)cc([N+](=O)[O-])cc1Br,0
+CC(C)S(=O)(=O)c1cc(Cc2ccccc2)ccc1N1CC[NH2+]C(c2ccccc2O)C1,0
+Cc1cccc(C(=O)N2CC(C(=O)NC(C)c3ccc(Br)cc3)C3(CC[NH2+]CC3)C2)c1,0
+Cc1ccc(-n2c(SCC[NH2+]CCO)nnc2-c2ccc(Cl)cc2)cc1Cl,0
+[NH2+]=C1Nc2nc3ccccc3n2C(c2cc(Br)ccc2OCc2ccccn2)N1,0
+NC(=O)c1c(NC(=O)C[NH+]2CCN(CCOc3ccccc3)CC2)sc2c1CCC2,0
+O=S(=O)(NC1=[NH+]CCC1)c1cccc(NC(=S)Nc2ccc(OC(F)F)cc2)c1,0
+Cc1cc(C)c(NC(=O)COC(=O)COc2ccc(Cl)cc2Br)c(Cl)c1,0
+O=C(NC(Cc1ccc(CP(=O)([O-])O)cc1)C(=O)[O-])OCC1c2ccccc2-c2ccccc21,0
+CCOc1ccc(C(=O)NC(C(=O)NC2[NH+]=c3ccccc3=[NH+]2)C(C)CC)cc1OCC,0
+O=C1C(=Cc2ccccc2Cl)Oc2c1ccc1c2CN(Cc2ccco2)CO1,0
+CC(C)Cc1ccc(C(CNI)N2CC[NH2+]C(O)C2)cc1,0
+CC([NH3+])C(c1ccccc1Br)N1CCN(CCO)CC1,0
+O=C(NCc1ccc(N2CCCC2)[nH+]c1)NCC(O)c1ccc2ccccc2c1,0
+Cc1cc(C)n(-c2cccc(NC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)c2)n1,0
+COc1ccc(N(C)C)cc1Oc1nc(Oc2cccc(C(N)=[NH2+])c2)c(F)c(C)c1F,0
+CC1(C)CC(NC(=O)CSc2nnc(NN=Cc3cccc(O)c3)n2N)CC(C)(C)[NH2+]1,0
+Cc1ccc(S(=O)(=O)N=C2[NH+]=c3ccccc3=[NH+]C2Nc2cccc(Br)c2)cc1C,0
+COc1ccc(N2CC(C(=O)NCC(c3ccc4c(c3)CCCN4C)[NH+]3CCCCC3)CC2=O)cc1,0
+CC(C(=O)NC(=O)NC1CC1)[NH+]1CCC(C(O)c2ccc(Cl)cc2)CC1,0
+CC[NH+]1CCN(C(=O)c2oc3c(c2C)C(=NNC(N)=O)CCC3)CC1,0
+O=C(NCCc1ccccc1Cl)C1CSCC(c2ccc(C(F)(F)F)cc2)[NH2+]1,0
+O=C(C[NH+]1CCN(C(=O)CCc2nc3ccccc3s2)CC1)Nc1ccc(OC(F)(F)F)cc1,0
+O=C(C[NH2+]CCC1=CCCCC1)Nc1ccc(C(=O)NCc2ccco2)cc1,0
+NC(=O)c1nsc(C(=O)N(c2ccc(Cl)cc2)C(C(=O)NC2CCCC2)c2ccco2)c1N,0
+c1ccc(-n2cc(COCc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)nn2)cc1,1
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12,1
+C=C(C)Cn1c(N2CC[NH+](Cc3ccc(C)cc3C)CC2)nc2sc3c(c2c1=O)CC(C)(C)OC3,0
+c1ccc(-c2cc(-c3nn[nH]n3)cnc2-c2ccc(CN3CCC(c4nc5ccccc5[nH]4)CC3)cc2)cc1,1
+CCC(=O)N1CC(C(=O)NC(C)c2nc3ccc(C)cc3[nH]2)C2(CC[NH2+]CC2)C1,0
+CC(c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC(=O)NC(C)(C)C,0
+Cc1ccccc1C[NH+]1CCC(CN(CC2CCCO2)C(=O)C2C=c3ccccc3=[NH+]2)CC1,0
+COc1ccc(OC)c(C2CCC[NH+]2CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1,0
+CNC(=O)NNC(=O)c1cc2cc(Br)ccc2o1,0
+Cc1n[nH]c2ccc(-c3cc(OCC(N)Cc4ccccc4)cnc3-c3cc(F)ccc3O)cc12,1
+CN(C1=[NH+]C(=NCc2ccccc2)C2(CCCCC2)N1C)C1(C(=S)NCc2ccccc2)CCCCC1,0
+Cc1cc(Br)ccc1C(=O)N(CCC(N)=NO)C1CC1,0
+CNC(=O)c1ccc(NC(=O)NCC(C(C)C)[NH+]2CCC(C)CC2)cc1,0
+CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(C(F)(F)F)cc3)cn2CCN2CCCC2)CC1,1
+CC(C)NC(=O)NC(=O)C[NH+]1CCCC(NS(C)(=O)=O)C1,0
+NC(=O)c1ccc2c(c1)CCOC2CC[NH+]1CC=C(C2=c3ccc(F)cc3=[NH+]C2)CC1,0
+NC(COc1cncc(-c2cc3c(-c4ccco4)n[nH]c3cn2)c1)Cc1ccccc1,1
+COCCNC(=O)CN(C)C(c1cc(Br)cs1)C(C)[NH3+],0
+Cc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3cc4c(ccc5ccccc54)oc3=O)nc12,0
+Nc1ncnc2nc(-c3ccc(CN4CCC(c5cc(-c6ccncc6)[nH]n5)CC4)cc3)c(-c3ccccc3)cc12,1
+Cc1ccc(NC(=S)N(Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)c(Cl)c1,0
+[NH2+]=C(NCCCc1c[nH]cn1)NCCC(c1ccccn1)c1ccccc1Cl,0
+[NH3+]CCC[NH+]1CCCN(S(=O)(=O)C2CCOCC2)CC1,0
+CC[NH+]1CCCC1CNS(=O)(=O)c1c(Cl)cc(N)cc1Cl,0
+CC(CCCSc1ccc(Br)cc1)([NH2+]C1CC1)C(N)=O,0
+CCC1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+NC(=O)c1ccc(NC(=O)COC(=O)C2=c3ccccc3=[NH+]C(=O)C2)cc1,0
+CCc1ccc(C(CNC(=O)C(CC2=c3ccccc3=[NH+]C2)NC(C)=O)[NH+](C)C)cc1,0
+C[NH+](C)CCNC(=O)C1CN(C(=O)C2CCC2)CC12CC[NH2+]CC2,0
+NC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN2CCCCC2)CC1,1
+CC1(c2ccc3c(c2)OCCCO3)OCCO1,0
+Cc1cc(C)c(C(N)=S)c(NC(C)c2cccc(Br)c2)[nH+]1,0
+CSc1cccc(Nc2nnc(-c3coc(C([NH3+])CO)n3)o2)c1,0
+COc1ccc(OCC(=O)N[NH+]=c2oc3c(OC)cccc3cc2C(N)=O)cc1,0
+CCOC(=O)C1=C(C[NH2+]Cc2ccc(C)cc2)NC(=O)NC1c1ccc(Cl)cc1,0
+O=[N+]([O-])c1ccc(C2NCCc3cc(O)c(O)cc32)cc1,0
+NC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(Cl)c3)cn2CCN2CCCC2)CC1,1
+Nc1ncccc1-c1nc2cc(C3CCCC3)cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,1
+COCCCNC(=O)C(C)[NH+]1CCC(C(O)c2ccc(Cl)cc2)CC1,0
+O=C(C[NH2+]CC1CCCO1)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2,0
+O=C(NCCNc1ccccc1)C1CN(C(=O)c2ccc(Br)cc2)CC12CC[NH2+]CC2,0
+NS(=O)(=O)c1ccc(NC(=O)C(CC2=c3ccccc3=[NH+]C2)NC(=O)c2cccs2)cc1,0
+COc1ccccc1C1CSCC(C(=O)NCCc2ccc(O)cc2)[NH2+]1,0
+CCC[NH+]1CCN(C(c2ccc(Br)cc2)C([NH3+])CC)CC1,0
+COc1cccc(C(C(=O)NC(C)(C)C)N(C(=O)C2CCCCC2)c2cccc(Cl)c2)c1,0
+Cc1cc(N2C(=O)C(=O)C(=C(O)c3c(C)[nH]c(C(N)=O)c3C)C2c2ccncc2)no1,0
+CN(C)c1ccc(C2NC(=O)NC(c3ccc(N(C)C)cc3)C23C(=O)NC(=O)NC3=O)cc1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2ccc(F)cc21,1
+Cc1ccc(N(C)C)cc1Oc1nc(Oc2cccc(C(N)=[NH2+])c2)c(F)c(C)c1F,0
+Cc1ccc(NC(=S)N=C(Nc2nc(C)cc(C)n2)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(C)c1,0
+Clc1ccc(C(NC2CC2)c2ccc(-c3cn[nH]c3)cc2)cc1,1
+Cc1occc1C[NH+](C)CC(=O)Nc1ccc(N)cc1Br,0
+CCOc1ccc(S(=O)(=O)NCCC2=c3cc(OC(F)(F)F)ccc3=[NH+]C2C)cc1C(C)C,0
+Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCC(c1ccsc1)[NH+](C)C,0
+CC(C)NC(=O)NCC1CC2CC[NH+]1CC2CN1CCN(c2cccc[nH+]2)CC1,0
+CNc1cc(N2CCC(CN)(c3ccc(Cl)c(Cl)c3)CC2)ncn1,1
+CC1CC[NH+](CC(O)CNC(=O)Nc2ccc(OC(F)F)c(F)c2)CC1,0
+CCC(=O)Nc1ccc(C)c(NC(=O)NCC(c2ccco2)[NH+]2CCCCC2)c1,0
+O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc1[S-],0
+O=C1CSC(c2ccccc2O)N1c1ccc(N2C(=O)CSC2c2ccccc2O)cc1,0
+C[NH+](CC(=O)Nc1ccc(N)cc1Cl)Cc1ccc(Cl)s1,0
+COc1ccc(N2C(=O)C3C(Cc4ccccc4)[NH2+]C4(C(=O)Nc5c4ccc(Cl)c5C)C3C2=O)cc1,0
+CC([NH3+])C(Sc1n[nH]c(=O)n1C1CC1)c1cc(Br)cs1,0
+Cc1ccc(Cl)c(S(=O)(=O)NC(CCc2ccccc2)c2ccc3c(c2)OCCO3)c1,0
+Cc1ccc(S(=O)(=O)NCCNC(=O)NCC(c2cccs2)[NH+]2CCCC2)cc1,0
+O=NC1([N+](=O)[O-])C2(C(=O)[O-])CC3(C(=O)[O-])CC1(C(=O)[O-])CC(C(=O)[O-])(C2)C3(N=O)[N+](=O)[O-],0
+COc1ccc(CCNC(=[NH2+])NCC(O)COc2c(C)cccc2C)cc1,0
+O=c1c(NCc2ccccc2F)c(Nc2ccncc2)c1=O,1
+Cn1ncc(Cl)c1-c1cc(C(=O)NC2CNCCC2c2ccc(F)c(F)c2)oc1Cl.O=C(O)C(O)C(O)C(=O)O,1
+CCc1cccc(CC)c1NC(=O)CSc1nnc(C2=c3ccccc3=[NH+]C2)n1-c1cccc(C)c1,0
+Cc1ccccc1N1C(=O)CSC1=C(C#N)C(=O)N1CCCCC1,0
+C[NH+]1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3Cl)c2C(N)=O)C1,0
+O=C(Nc1ccc(I)cc1Cl)C1CC(O)C[NH2+]1,0
+COc1ccc(N2C(=O)C3=C(C(c4ccc(Cl)cc4)=[NH+]CCN3)C2c2ccc(O)cc2)cc1,0
+COc1ccc(CCC(=O)N2CC(C(=O)NCC[NH+](C)C)C3(CC[NH2+]CC3)C2)cc1,0
+Cl.NCc1ccc(-n2c(-c3cccnc3N)nc3cccnc32)cc1,1
+C[NH+]1CCCC(C[NH2+]C(C)(C(=O)[O-])c2ccc(Br)cc2)C1,0
+CCCCNC(=O)NNC(=O)C[NH+]1CCS(=O)(=O)CC1,0
+NC1(c2ccc(-c3ncc4cccn4c3-c3ccccc3)cc2)CCC1,1
+CCOC(=O)C1=C(C)N(CC)C(=S)NC1c1ccc(NC(=O)Nc2ccc(C(C)C)cc2)cc1,0
+CC(C)Nc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)s1,0
+CC(C(=O)Nc1sc2c(c1C(N)=O)CCC2)[NH+](C)CCOc1ccccc1,0
+CC(C[NH+]1CCCC1)[NH2+]C(C)(C(=O)[O-])c1ccccc1Br,0
+OC(C[NH2+]Cc1ccc(Br)s1)COc1c(Cl)cccc1Cl,0
+CCOc1ccccc1-n1c(C(C)N(CC[NH+](C)C)C(=O)c2ccccc2Cl)nc2ccccc2c1=O,0
+CC(C)C[NH+]1CC(NCc2ccc(F)c(F)c2)CC1C(=O)NCCc1ccccc1F,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2c(-c3cccnc3)cccc21,1
+CC(C)CCNC(=O)c1cn(C2CCCC2)cc(C(=O)NCC(C)(C)[NH+]2CCOCC2)c1=O,0
+O=c1c(NCc2cccc(C(F)(F)F)c2)c(Nc2ccncc2)c1=O,1
+Cc1cccc(CC(=O)N2CC(C(=O)NC(Cc3ccccc3)C(=O)N3CCCCC3)C3(CC[NH2+]CC3)C2)c1,0
+CC=C(NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(OC)cc1)c1ccc(O)cc1,0
+Cc1ccc(C(OCC(O)C[NH2+]C(CO)C(O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1,0
+O=C(C[NH+]1CCN(Cc2ccccc2Cl)CC1)NN=Cc1ccc(O)cc1O,0
+CC(C)Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)N1CCN(c2cccc[nH+]2)CC1,0
+NC(=O)c1ccsc1NC(=O)C[NH+](Cc1ccsc1)C1CC1,0
+O=C(C[NH2+]C(c1ccccc1)c1ccccc1)NN1C(=O)NC2(CCCCC2)C1=O,0
+CCc1cccc(C)c1Nc1c(-c2ccc(O)c(OC)c2)[nH+]c2ccc(C)cn12,0
+Nc1ccc(S(=O)(=O)NCc2ccc(OCC[NH+]3CCCCC3)cc2)cc1,0
+c1ccc(-c2cc3cccnc3nc2-c2ccc(CN3CCC(c4cc(-c5cccnc5)[nH]n4)CC3)cc2)cc1,1
+O=C(N1CCN(c2ncnc3[nH]nc(Cl)c23)CC1)C1(c2ccc(Cl)c(Cl)c2)CCNCC1,1
+CC(=O)Nc1ccc(C)cc1S(=O)(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1,0
+COc1ccc(OC)c(CNC(=O)C2CN(C(=O)c3csc4ccccc34)CC23CC[NH2+]CC3)c1,0
+NC(=O)CC([NH3+])c1cc(Cl)cc(Cl)c1OC(=O)c1ccccc1,0
+CC(=O)Oc1ccccc1C(=O)N1CC(C(=O)NC(C)CCCC(C)(C)O)C2(CC[NH2+]CC2)C1,0
+O=C(NCCNc1ccccc1)C1CN(C(=O)CCCc2ccccc2)CC12CC[NH2+]CC2,0
+O=C(CNc1ccccc1[NH+]1CCC(O)CC1)Nc1cccc(Cl)c1,0
+COc1ccc2[nH]c3c(c2c1)CC[NH2+]C3c1cc(Cl)cc(Cl)c1O,0
+O=c1cnc(-c2ccccc2)c(-c2ccc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2)[nH]1,1
+CCC([NH3+])C(c1cc(Br)cs1)N1CCC(O)CC1,0
+COc1ccc(NC(=O)c2cc3cc(C)ccc3oc2=[NH+]c2ccc(S(N)(=O)=O)cc2)cc1,0
+CCN(c1cccc(C)c1)c1[nH+]cnc(NCc2ccc(C)cc2)c1N,0
+O=C(Nc1ccc(I)cc1)C1CC(O)C[NH2+]1,0
+Cn1nc(N)c2cc(-c3ccccc3)c(-c3ccc(CN4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)nc21,1
+Cc1cc(OCCOc2ccc(N)cc2)ccc1N1C(N)=NC(N)=[NH+]C1(C)C,0
+CC1=C(C(=O)NCCC2=c3ccccc3=[NH+]C2)CC(C)N1Cc1ccc(S(N)(=O)=O)cc1,0
+CC1CCCC(CO)([NH2+]CC(O)COCc2cccs2)C1,0
+CC(C)NC(=O)NC(=O)C(C)[NH2+]C(C)c1ccc(OC(F)(F)F)cc1,0
+O=C(Cc1ccc(Cl)cc1)N1CCN(c2ncnc3[nH]cc(Br)c23)CC1,1
+Cc1ccc(F)c(C(=O)N2CC(C(=O)NCCc3ccc(Br)cc3)C3(CC[NH2+]CC3)C2)c1F,0
+C[NH+](C)C(CNC(=O)Nc1ccccc1SCC(N)=O)c1ccco1,0
+C#CC[NH+]1CCC(Nc2cc(S(N)(=O)=O)ccc2Cl)CC1,0
+CC(C)=CC(=O)N(Cc1ccco1)C(C(=O)NC(C)(C)CC(C)(C)C)c1cc([N+](=O)[O-])ccc1Cl,0
+C[NH+](C)CCN1CCN(C(C[NH3+])c2ccccc2Br)CC1,0
+Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCCC2CC(C)CCC21,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2c(Cl)cccc21,1
+CC(C)C(C[NH+](C)C)NC(=O)C1(C(N)=S)CCCCCC1,0
+CC(c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC(=O)Nc1ccc(F)cc1Cl,0
+CCOc1ccc(C2C(C(=O)c3nc4c(C)cccn4c3C)=C([O-])C(=O)N2c2nccs2)cc1OC,0
+N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(Cl)c3)cn2CCN2CCC2)CC1,1
+NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1Cl,1
+CCCNC(=O)NC(C)(C)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C,0
+C[NH+](C)CCCN(C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1nc2c(F)cccc2s1,0
+CC1(C)Cc2c(C#N)c(N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH+]c(-c3ccccc3)c2CO1,0
+CC(C)C[NH+]1CCC(NC(=O)N2CCCC(CCC(N)=O)C2)CC1,0
+[NH2+]=C1Nc2nc3ccccc3n2C(c2cn(Cc3ccccc3)nc2-c2cccs2)N1,0
+CNC(=O)c1ccc(NC(=O)C(CC2=c3ccccc3=[NH+]C2)NC(=O)c2cccs2)cc1,0
+CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)C1c1ccc(Cl)c(Cl)c1,0
+O=C(CSC1Nc2ccccc2S1)NCCC1=c2ccccc2=[NH+]C1,0
+COc1ccc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4C#N)CC3)n2)cc1Cl,1
+O=[N+]([O-])c1cc(Br)cnc1NC1C2C[NH2+]CC21,0
+CCCC(=O)Nc1cccc(NC(=O)NCC(CC)(CC)[NH+](C)C)c1C,0
+C[NH2+]CCC[NH2+]Cc1cc(Br)cc(OC)c1OCc1ccccc1,0
+CC(Cc1cccs1)NC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1,0
+Cc1cccc(C)c1S(=O)(=O)NCC(O)CN1CCCC2(CCN(c3ncnc(N)c3C3CC3)C2)C1,1
+CC(C)CNC(=O)C1C(=O)[NH+]=c2ccccc2=C1O,0
+NC(=O)c1cccc2c(NC(CN3CCC3)c3ccc(F)cc3)ncnc12,1
+NC(=S)c1cccc(CNS(=O)(=O)N2CCCCCC2)c1,0
+CC1Cc2cc(F)c(F)cc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)n1C,1
+O=C(COC(=O)c1ccccc1C(F)(F)F)Nc1ccc(Cl)cc1C(=O)c1ccccc1,0
+CC([NH3+])CC(=O)N1CCN(C(=O)C(C)C)CC1,0
+CC=C(C)C(=O)OC1C(OC2(C)CCC(O)C3(C)CC=C(C(C)C)CC23)OC(C)C(O)C1O,0
+Cc1ccc(C([NH2+]CC(=O)Nc2cc(Cl)ccc2-n2cncn2)c2cccs2)cc1,0
+CCOc1ccccc1C(=O)N1CC(C(=O)NCc2cc3ccccc3[nH]2)C2(CC[NH2+]CC2)C1,0
+C[NH+](Cc1ccc(C(N)=NO)cc1)Cc1csc(Br)c1,0
+COc1cccc(C2C([NH3+])CCC(=O)N2C2CC2)c1,0
+CC(OC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1,0
+NC1(c2ccc(-c3nc4ccccn4c3-c3ccccc3)cc2)CCC1,1
+CC[NH+]1CCN(C(c2cccs2)C(C)[NH+]=C([S-])Nc2cc(C)ccc2C)CC1,0
+C[NH+](C)C(CNC(=O)Nc1ccc(NC(=O)C2CCCO2)cc1)c1cccs1,0
+CC(Nc1cc(C(N)=O)c(N)cc1F)C1CCCO1,0
+CC([NH3+])C(Sc1nncn1C)c1ccccc1Br,0
+Cc1cccc(C(C)C)c1NC(=O)C(C)[NH+]1CCC(CC(N)=O)CC1,0
+Cc1ncsc1C[NH+](C)C(C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1,0
+CC(C)NC(=O)OC1CCC2(C)C(CC(=O)N3CCCC3CO)C(O)CCC2C1(C)CO,0
+Cc1ccc(CN(C(=O)Nc2cccc(C[NH+]3CCCC3C(N)=O)c2)C(C)C)o1,0
+Nc1nccc(Nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc2)n1,1
+CCc1c(N)ncnc1N1CCC(c2nc(-c3cccc(Cl)n3)cn2CCN2CCC2)CC1,1
+N#CC(=CNc1ccc(S(=O)(=O)NC(N)=O)cc1)c1nc(-c2ccc(F)cc2)cs1,0
+CCC(C)C(O)C(C)(O)C=CC1=CC2=C(Cl)C(=O)C(C)(O)C(O)C2CO1,0
+NC(=O)NC(=O)C[NH+]1CCCC1c1cccc2c1OCCO2,0
+CC(C)(C)NC(=O)C(c1ccccc1O)N(C(=O)C(=Cc1ccccc1)c1ccccc1)c1ccccc1,0
+CC[NH+]1CCN(C(C[NH3+])c2ccc([O-])c([N+](=O)[O-])c2)CC1,0
+CN(Cc1cc(N)ccc1Cl)S(=O)(=O)Cc1ccccc1,0
+Cc1cc(C2C(C#N)=C(N)N(c3cc([N+](=O)[O-])ccc3C)C3=C2C(=O)CCC3)c(C)s1,0
+Nn1c(SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)nnc1-c1ccc(Cl)cc1,0
+CC(C)c1nc2nc(-c3ccc(CN4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)c(-c3ccccc3)cn2n1,1
+COc1ccc(OC=C(N)NC(=S)Nc2ccc(Cl)cc2)cc1,0
+CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)NC)CC[NH+](C(C)C)C3)cc1,0
+O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccc(F)cc1,1
+CN(Cc1[nH+]ccn1C)C(=O)c1nc(NN)ccc1Cl,0
+CC[NH+](CC(O)COC(c1ccc(F)cc1)c1ccc(F)cc1)CC(O)c1cccc(O)c1,0
+NC(=O)c1ccc(NC(=O)COn2nnc3ccc(Cl)cc32)cc1,0
+OC(COc1ccc(F)cc1)C[NH+]1CCC(C(O)c2ccc(Cl)cc2)CC1,0
+CC(C)c1ccc(C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)cc1[N+](=O)[O-],0
+O=C(NC(c1ccc2ccccc2c1)C1CCNCC1)c1ccc2cnccc2c1,1
+CC(NS(=O)(=O)c1c(Cl)cc(N)cc1Cl)c1ccncc1,0
+COc1ccc2c(c1)=[NH+]CC=2CCNC(=O)CSC1NN=NN1c1cccc(C(F)(F)F)c1,0
+CC(=O)NC1CCC2(C)CCC(C(C)C(=O)NCC[NH+]3CCCC3)C(O)C2C1C,0
+COc1ccc2[nH]c3c(c2c1)CC[NH2+]C3c1ccc(OC)c(COc2ccc([N+](=O)[O-])cc2)c1,0
+CC(C(=O)Nc1ccc2c(c1)OCO2)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1,0
+CC1CCCCC1NC(=O)NC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCC3,0
+NC1(c2ccc(-c3nn4c(-c5ccc(O)nc5)cnc4cc3-c3ccccc3)cc2)CCC1,1
+COc1ccccc1C(Nc1cccc[nH+]1)c1cc(C)sc1NC(=O)c1ccccc1,0
+CSc1ccc(C(Nc2cc(C)cc[nH+]2)c2ccc3ccc(C)nc3c2O)cc1,0
+CCC([NH3+])C(c1cc(Br)cs1)N(CCO)C(CC)CC,0
+C[NH+](C)CCCCNC(=O)C1CN(C(=O)COc2cccc(Cl)c2)CC12CC[NH2+]CC2,0
+COc1ccc(CCNC(=[NH2+])NCc2cccc(CN3CCOC(C)C3)c2)cc1,0
+COC(=O)C1[NH+]=c2ccc(Cl)cc2=C1NC(=O)C(C)[NH+]1CCC(Cc2ccccc2)CC1,0
+CC[NH+](CC)C(C)CNC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1,0
+Cc1cc(C(=O)N2CC(C(=O)NCC(C)(C)C[NH+](C)C)C3(CC[NH2+]CC3)C2)c(C(F)(F)F)o1,0
+CC(C)[NH2+]C(C)(CCCCSc1ccccc1Cl)C(N)=O,0
+NC(COc1cncc(-c2ccc3c(c2)CC(=O)N3)c1)Cc1ccccc1,1
+CC(C(=O)Nc1nccs1)[NH+]1CCC2(CC1)Nc1ccccc1NC2=O,0
+Cc1ccc(C[NH+](CCc2ccccc2)CC(=O)NCc2ccc(S(N)(=O)=O)cc2)s1,0
+O=C1CCCN1CC[NH2+]Cc1ccccc1OCC(O)C[NH+]1CCSCC1,0
+CC(C(=O)c1c[nH]c(C(=O)N2CCN(c3[nH+]cc(C(F)(F)F)cc3Cl)CC2)c1)c1ncc(C(F)(F)F)cc1Cl,0
+CNc1[nH+]n(CC(=O)Nc2c(C)cccc2C)c(N)c1-c1nc(-c2ccccc2C)no1,0
+CCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1C)C(=O)c1ccc(C)c([N+](=O)[O-])c1,0
+CNC(=O)c1c(Nc2ccc(C(C)C)cc2)sc2c(-c3ccc(Cl)cc3)c(C#N)c(N)nc12,0
+COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1cc(Br)cc(C)c1OC,0
+CC(C(=O)Nc1ccc(F)cc1N)S(=O)(=O)c1cccs1,0
+Cc1ccccc1OCC[NH+](C)CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C,0
+CCCCCCNC(=O)C1CN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC12CC[NH2+]CC2,0
+COc1cccc(NC(=O)C[NH2+]CCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1,0
+Cc1ccc(Cl)cc1NC(=S)N(Cc1ccc(F)cc1)C1CC(C)(C)[NH2+]C(C)(C)C1,0
+CCCCCCC(=O)N1CC(C(=O)NCc2ccccc2Sc2ccccc2CO)C2(CC[NH2+]CC2)C1,0
+CN(C)c1ccc(CNC(=O)NCC(O)c2ccc3ccccc3c2)c[nH+]1,0
+COc1ccc(C2CC(=O)C3=C(C2)Nc2nnnn2C3c2ccc(OC)c(OC)c2OC)cc1,0
+CCCCCCCCCCCCc1ccc(S(=O)(=O)Nc2nnc(CC)s2)cc1,1
+Nc1nc(CC(=O)NN=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cs1,0
+Cc1cc[nH+]c(NC(c2ccc(F)cc2)c2c(NC(=O)c3ccco3)sc(C)c2C)c1,0
+O=C(C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1)NN(Cc1ccccc1)c1ccccc1,0
+O=C(Cc1nc(N2CCOC(CF)C2)cc(=O)[nH]1)N1CCc2c(F)cccc21,1
+Cc1nc(N)nc2c1cc(-c1cnn(C)c1)c(=O)n2C1CCC(OCC(N)=O)CC1,1
+[NH3+]CCCC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2,0
+CN(C)c1[nH+]cccc1NC1COc2cc(O)ccc21,0
+COc1cccc(C[NH+]2CCC(N(c3ccc4c(c3)OCO4)S(=O)(=O)c3ccc(C)cc3)CC2)c1OC,0
+COc1ccc(-c2cc3c(C)nc(N)nc3n(C3CCC(OCC(N)=O)CC3)c2=O)cn1,1
+NS(=O)(=O)c1ccc(CNC(=O)C(SC2[NH+]=c3ccccc3=[NH+]2)c2ccccc2)cc1,0
+CC(Nc1cc(C(N)=O)ccc1F)c1cc(O)ccc1O,0
+CC(O)(c1ccc(Br)cc1)C(C[NH2+]CCCCO)c1ccccc1,0
+NC1(c2ccc(-c3nc4n(c3-c3ccncc3)COc3cccc(F)c3-4)cc2)CC(O)(C2CC2)C1,1
+NC1=[NH+]C(c2cccc(Cl)c2Cl)NC(SCC(=O)N2c3ccccc3CCc3ccccc32)=N1,0
+COC(=O)c1ccc2c(=O)[nH]c(CSC3=[NH+]CC(C)(C)CN3)nc2c1,0
+Cc1ccc(CN(C(=O)CC(C)c2ccccc2)C(C(=O)NC(C)(C)CC(C)(C)C)c2ccccc2O)o1,0
+NC(=[NH2+])NN=Cc1cc(Br)cc(Br)c1OCc1ccccc1,0
+CCOC(=O)C(Cc1ccc(Cl)cc1)NC(=O)C1CCCCC1C(=O)N1CCN(c2cccc[nH+]2)CC1,0
+Cc1ccccc1C(C)NC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C,0
+CC[NH+](CC)CCn1c(N)cc(=O)n(CC(=O)Nc2ccccc2C(C)(C)C)c1=O,0
+CC(NC(=O)C1CN(C(=O)CCCc2ccccc2)CC12CC[NH2+]CC2)c1ccccc1,0
+CN1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccc(N)nc7)[nH]6)CC5)cc4)nc3n2)CC1,1
+COCCNC(=O)CCC12CCC(C)(O)CC1C(C)(C)CC2[NH2+]C1CCN(C(C)=O)CC1,0
+CC1Cc2ccccc2N1C(C[NH3+])c1c(O)ccc2ccccc12,0
+O=C(Nc1ccc(F)c(F)c1F)N1CCN(C(=O)c2ccco2)CC1,0
+Oc1ccccc1NCC(c1ccc(-c2ccccc2)cc1)[NH+]1CC[NH2+]C(c2ccccc2O)C1,0
+Cc1cc(C(Nc2cccc[nH+]2)c2ccccc2F)c(NC(=O)c2ccco2)s1,0
+COc1ccc(C)cc1Nc1[nH+]cnc(NN(c2ccccc2)c2ccccc2)c1N,0
+O=C(Nc1ccccc1Cl)c1cc2ccc(O)cc2oc1=[NH+]O,0
+CC(C)Cc1ccc(-c2csc(C(C#N)=CNc3ccc(S(=O)(=O)NC(N)=[NH2+])cc3)n2)cc1,0
+CC(C)[NH+]1CCC(CNS(=O)(=O)c2cc(Br)ccc2N)C1,0
+Cn1c(NC(=O)CSC2=NCCN2)cc(=O)n(C)c1=O,0
+CC1=C2C(=NN(c3cccc(Cl)c3)C2C)C(=S)N=N1,0
+Cc1n[nH]c2ccc(-c3cc(OCC(N)Cc4ccccc4)cnc3-c3cc(F)cc(F)c3O)cc12,1
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4cccc(Br)c4)c3)cc12,1
+CC[NH+]1CCc2c(sc(NC(=O)CSc3ccc(OC)cc3)c2C(N)=O)C1,0
+Cc1cccc(-c2nc(C3CN(Cc4ccc(-c5nc6nc(C)nn6cc5-c5ccc(F)cc5F)cc4)C3)n[nH]2)n1,1
+N#CC1CCN(c2cnc(C(=O)Nc3csc(-c4nncn4C4CC4)n3)cc2-n2cnc(C3CC3)c2)CC1,1
+OC1CN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CCN1,1
+CC1CCCC[NH+]1CCNC(=O)NNC(=O)CCC1CCCCC1,0
+CCC([NH3+])C(c1ccc(Br)s1)N(C)Cc1ccc(C)o1,0
+CC1CC(C)C[NH+](C(C)(C)CNC(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)C1,0
+CCC[NH+]1Cc2cccc(NC(C)C(=O)NC(=O)NC(C)(C)C)c2C1,0
+CC([NH3+])CCNS(=O)(=O)c1sccc1Br,0
+CCOc1cnc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+NC(CNc1nnc(-c2ccc3cnccc3c2)s1)Cc1ccc(C(F)(F)F)cc1,1
+CC1CC(O)c2ncnc(N3CCN(C(=O)C(CN)c4ccc(Cl)cc4)CC3)c21,1
+Nc1ccc(NC(=O)CC[NH+]2CCCSCC2)c(Cl)c1,0
+CC1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+O=S(=O)(Oc1ccccc1)c1ccc(C(CNO)N2CC[NH2+]C(O)C2)cc1,0
+CC(CNc1ccc(Cl)cc1C(N)=S)[NH+]1CCCCC1,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)C2(C)CCCCC2)CC12CC[NH2+]CC2,0
+CNC(=O)NC(=O)C(C)[NH+]1CCC(C(O)c2ccc(Cl)cc2)CC1,0
+NC(=[NH2+])c1ccc(Sc2nnnn2C2CCCC2)cc1Cl,0
+CC(C)CC[NH+](C)CCC(=O)Nc1c(N)cc(Cl)cc1Cl,0
+CCOc1ccccc1NC(=O)c1sc(=S)n(CC[NH+](CC)CC)c1N,0
+Cc1ccc(C)c(C(C)NC(=O)C(=O)Nc2ccc(CC(N)=O)cc2)c1,0
+COC(=O)c1ccc2c(c1)nn1cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc21,1
+CC(C)CNCCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2C#N)CC1,1
+CCN(CC)S(=O)(=O)c1ccc(-c2csc(=[NH+]c3ccccc3)n2CCC[NH+](C)C)cc1,0
+CCC(CO)(CO)n1c[nH+]c(-c2ccccc2)c1-c1c(OC)ccc(F)c1F,0
+FC(F)(F)COc1nc(OCC(F)(F)F)nc(N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)n1,0
+Cc1cccc(C)c1OCC(O)CNC(=O)NCC(c1cccs1)[NH+](C)C,0
+CCCC1C(c2ccccc2)[NH2+]C(c2ccccc2)CC1(O)c1ccc(F)cc1,0
+C=CCN1C(=O)NC(c2ccc(Cl)cc2)C2=C1CN(C(Cc1ccccc1)C(=O)N1CCOCC1)C2=O,0
+COc1ccc(C2(C)NC(=O)N(NC(=O)CN3CC[NH+](CC(=O)NCC(C)C)CC3)C2=O)cc1,0
+C[NH+]1CCCN(S(=O)(=O)c2cc(Br)ccc2N)CC1,0
+Cn1cc[nH+]c1C(Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccccc1,0
+Cc1cc(C)cc(NC([S-])=[NH+]C2CC3CCCC(C2)[NH+]3Cc2cccs2)c1,0
+CCOc1cc(C2NC(CO)(c3ccccc3)C3C[NH+](C)CC23)ccc1O,0
+CC[NH+](CC)CCN(C(=O)c1cc2c(ccc3ccccc32)oc1=O)c1nc2ccc(C)cc2s1,0
+COc1cc(F)ccc1NC(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+O=C(C=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc(N2CC[NH2+]CC2)c([N+](=O)[O-])c1,0
+CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccc(C(=O)NC)cc2C)c1,0
+COC(=O)c1c(NC(=O)c2cc(Cl)cc(Cl)c2)sc2c1CC(C)(C)[NH2+]C2(C)C,0
+CC1CCN(C(C[NH3+])c2ccc(O)c(Br)c2)CC1,0
+C=CCNC(=S)NCC(C1=c2ccccc2=[NH+]C1)c1ccccc1Cl,0
+NC(=S)c1cc(Nc2ccccc2SC(F)F)cc[nH+]1,0
+Clc1c[nH]c2ncnc(N3CCC4(CCNCC4)C3)c12,1
+COc1ccc(Cl)cc1NC(=[NH2+])Nc1nc(=O)cc(CSc2ccc(Cl)cc2)[nH]1,0
+Cc1csc(C[NH2+]C2COc3cc(O)ccc32)n1,0
+CC(C)c1noc(CN2CC[NH+](Cc3nc(N)nc(Nc4ccc(Cl)cc4)n3)CC2)n1,0
+Cl.Cn1ncc(Cl)c1-c1cc(F)c(C(=O)NC2CNCCC2c2ccc(F)c(F)c2)c(F)c1,1
+CNC(=O)c1cccc(NC(=O)NC(C)C[NH+]2CC(C)CC(C)C2)c1C,0
+CC[NH+](CC)CCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=S)NCCC[NH+](C)C,0
+[NH3+]C1CCC(=O)N(C2CC2)C1c1ccc(Br)o1,0
+Cc1ccc(-c2nc3c(C)nc(N)nc3n(C3CCOCC3)c2=O)cn1,1
+O=S1(=O)CCC([NH2+]C2C(O)OC(CO)C(O)C2O)C1,0
+CCn1c2ccccc2c2cc(C[NH2+]C3CC(C(=O)NC)N(C(C)C)C3)ccc21,0
+CCOc1cc(Cl)c(C([NH3+])c2ccc(Br)s2)cc1OCC,0
+Cc1ccc(NC(=O)N(CCc2ccccc2)CC[NH+](C)C)cc1C(N)=O,0
+CC(C)(C)c1cc(C2CSCC(C(=O)NCC3CCCO3)[NH2+]2)cc(C(C)(C)C)c1O,0
+C=CCOc1c(Br)cc(C=C(C#N)C(=O)Nc2cc(C)ccc2C)cc1OCC,0
+c1ccc(-c2cc3cccnc3nc2-c2ccc(CN3CCC(c4n[nH]c(-c5ccccn5)n4)CC3)cc2)cc1,1
+Cc1cccc(NC(=O)CSc2nnc(-n3nc(C)cc3C)n2N)c1,0
+CCOC(=O)c1ccccc1Nc1[nH+]cnc(N(Cc2ccccc2)c2ccccn2)c1N,0
+N#Cc1c(NCC[NH3+])nc(NCc2ccccc2)c2c1CCN(Cc1ccccc1)C2,0
+NC(=O)c1c(NC(=O)CSc2nnc(Cc3ccccc3)n2Cc2ccco2)sc2c1CCC2,0
+Cc1ccc(NC(=O)CSC(C)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1,0
+CCOC(=O)C1=C(C[NH2+]Cc2cccc(OC)c2)NC(=O)NC1c1ccccc1,0
+C=CC[n+]1c(N)c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc21,0
+Nc1ccc(NC(=O)C[NH+]2CCCCC2CCO)c(Br)c1,0
+Cc1ccc2nc(SCC(=O)NC(=O)NC(C)C)n(C)c(=O)c2c1,0
+Nc1ncccc1-c1nc2cc(C3CCCC3)cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,1
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4ccccc4Cl)c3)cc12,1
+CC(c1cccs1)[NH+](C)Cc1ccc(C(=O)NC2c3ccccc3-c3ccccc32)c(=O)[nH]1,0
+O=C(NC1CCCc2ccccc21)C1CC=CCC1C(=O)N1CCN(c2cccc[nH+]2)CC1,0
+CNC(=O)NC(=O)C(C)[NH2+]C(c1ccccc1)c1ccc(OC)cc1,0
+NC(Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3[nH]ncc23)CC1,1
+Cn1ncc(Br)c1-c1oc(C(=O)NC2CNCCC2c2ccc(Cl)cc2)cc1Br,1
+Cc1ccc2nc(C(C)NC(=O)C3CN(C(=O)c4cc(C)nn4C(C)(C)C)CC34CC[NH2+]CC4)[nH]c2c1,0
+CCOc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C)c3)cn2CC2CNC2)CC1,1
+COc1ccc(C2=NC(c3ccc(OC)c(Br)c3)[NH2+]C(c3ccccc3O)C2)cc1,0
+Clc1ccc(COc2cccc(C[NH2+]CCCSc3nnnn3-c3ccccc3)c2)c(Cl)c1,0
+O=C(NC1Nc2ccc(NC(=O)C3C=c4ccccc4=[NH+]3)cc2S1)c1ccccc1,0
+CCOC(=O)NC(CC1=c2ccccc2=[NH+]C1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1,0
+N=C(NC(=NO)c1nonc1N)c1ccccc1N,1
+CCc1ccc(CCNC(=O)C2CN(C(=O)Cc3ccc(C)cc3)CC23CC[NH2+]CC3)cc1,0
+NS(=O)(=O)c1ccc(NN=C(C2[NH+]=c3cc(Cl)ccc3=[NH+]C2=O)C(O)C(O)CO)cc1,0
+Cc1cccc(NC(=O)C[NH+]2CCN(CC(=O)Nc3sc4c(c3C(N)=O)CCC4)CC2)c1C,0
+COc1ccc(C2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(OC)cc4OC)c32)c(OC)c1,0
+CCC(C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc(Br)c4)c3)nc2c1,0
+Cc1ccc(C(Nc2cccc[nH+]2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)cc1,0
+Cc1cc(C)nc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)n1,0
+COc1ccc(Cl)cc1NC(=O)C(C)Sc1nnc(C(C)[NH+](C)C)n1-c1ccc(Cl)cc1,0
+O=C(CNC(=O)NCC(c1ccco1)[NH+]1CCCC1)Nc1ccc(Cl)cc1,0
+CCCCCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(CCCC)c2N2CC[NH+](CC)CC2)SC1=S,0
+Cc1c(O)cc2c(c1C)OC(C)(CCCC(C)C)CC2=O,1
+CC(C)(C)NC(=O)CC1CC[NH2+]CC1Cc1cc(-c2ccc(C(C)(C)C)cc2)on1,0
+COc1cccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12,1
+NC(=O)c1c(NC(=O)C[NH2+]Cc2cccs2)sc2c1CCCC2,0
+CCCOc1ccc(CC[NH3+])c(OCc2sccc2Br)c1,0
+Cl.Cn1nccc1-c1cc(F)c(C(=O)NC2CNCCC2c2ccc(F)cc2)cc1F,1
+Cc1ccc(NC(=S)NCC(C)[NH+]2CCCCC2C)cc1Cl,0
+Cc1ccc(NC(NC2CC(C)(C)[NH2+]C(C)(C)C2)=C2C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1,0
+Cc1sc2nc(SCC(=O)Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)n(C(C)C)c(=O)c2c1C,0
+O=C1CCCN1Cc1ccc2c(c1)[nH]c(=O)c1cccn12,1
+CC1CCC(C#N)C(N2CCS(=O)(=O)CC2)C1,0
+CNc1cc(N2CCC(CN)(c3ccc(Cl)c(Cl)c3)CC2)ncn1,1
+Nc1c(NN(c2ccccc2)c2ccccc2)nc[nH+]c1Nc1ccc(Br)cc1,0
+C[NH+](C)C(C)(C)CNC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2,0
+CCOc1ccc(C(O)(c2cccc(C)c2)C(C[NH+]2CCCCCC2)Oc2ccccc2)cc1,0
+O=S(=O)(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1cccnc1,1
+CC(C)C(Sc1nnc(C(C)[NH+]2CCCCC2)n1-c1ccc(F)cc1)C(=O)NC(N)=O,0
+COCc1cc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)ccc1F,1
+CC[NH+]1CCCC1CNS(=O)(=O)c1cc(N)cc(Cl)c1F,0
+NC1(c2ccc(-c3nn4c(-c5cn[nH]c5)cnc4cc3-c3ccccc3)cc2)CCC1,1
+CCOC(=O)c1c(NC(=O)CCSc2ccc(OC)cc2)sc2c1CC(C)(C)[NH2+]C2(C)C,0
+COc1nn2cc(-c3c(F)cccc3F)c(-c3ccc(CN4CCC(c5n[nH]c(-c6ccccn6)n5)CC4)cc3)nc2c1CO,1
+S=c1oc(-c2ccco2)nn1CN1CCN(c2cccc(Cl)c2)CC1,0
+Cc1cc(O)cc2c1NC(C)(CCCC(C)C)CC2,1
+CCCCn1c(N)c(N(CC)C(=O)C[NH+](C)Cc2cccc(Cl)c2)c(=O)[nH]c1=O,0
+O=C1CCCc2[nH]c(=O)c(C(=O)NCC(c3ccco3)[NH+]3CCCC3)cc21,0
+COc1ccc(CCC(=O)N(c2ccccc2Cl)C(C(=O)NC2CCCCC2)c2ccc(O)cc2)cc1,0
+C[NH+]1CCC(CNC(=O)C2CN(C(=O)C3(C)CCCCC3)CC23CC[NH2+]CC3)C1,0
+CN(C)C(=O)CN1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+Cc1[nH+]c(SC(C(=O)NC(N)=O)C(C)C)n(C(C)C2CC3CCC2C3)c1C,0
+Fc1ccccc1C1C2C(=Nc3ncnn31)c1cc(Cl)ccc1OC2c1ccncc1,0
+CC(C)[NH+](CCC(O)c1ccc(F)c(N)c1)Cc1ccccc1,0
+C=CCC(CC)(C(=O)Nc1ccc2[nH+]c(C)cc(N)c2c1)C(=O)Nc1ccc2[nH+]c(C)cc(N)c2c1,0
+CN(Cc1ccccc1N1CCOCC1)C(=O)C(CC1=c2ccccc2=[NH+]C1)NC(N)=O,0
+CC(=O)c1cc2c(cc1NC(=O)CSc1ccc(S(=O)(=O)N3CCCCCC3)cn1)OCO2,0
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CNCCc4nnc(N)s4)cc3)nc2n1,1
+CC(=O)Nc1cc(C[NH2+]Cc2cc(Cl)ccc2O)cc(C(=O)N2CC(C)OC(C)C2)c1,0
+COc1cc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc(OC)c1OC,1
+Cc1cc(C)c(C(N)=[NH2+])c(Oc2ccc(Br)cc2Cl)n1,0
+Cc1nc(NC2CCCCC2)cc(Nc2ccc(NS(=O)(=O)c3cc(F)ccc3F)cc2)[nH+]1,0
+Cc1c(C(=O)NNC(=O)NC(C)C[NH+]2CCCC(C)C2)oc2ccccc12,0
+COc1ccc(CN(Cc2ccc(OC)cc2)C(=S)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1,0
+Cc1ccc(C(C)[NH+](C)CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,0
+CCOc1c(Br)cc(C[NH2+]CCCCCO)cc1Br,0
+CC(C(=O)Nc1ccc(N)cc1Cl)[NH+]1CCCCCCC1,0
+[NH3+]C(CC1=c2ccccc2=[NH+]C1)C1N=NC(SCc2ccc(F)cc2)O1,0
+O=C1Nc2ccccc2C1=Cc1ccc[nH]1,1
+COc1ccccc1C(=O)NCCn1cc(SC(N)=[NH2+])c2ccccc21,0
+C[NH+]1CCN(C(=O)CCNC(=O)NCC2CCC[NH+]2CC2CCCCC2)CC1,0
+Oc1ccc(C=N[NH+]=C(Nc2ccccc2)c2nc3ccccc3[nH]2)c(O)c1,0
+CSCCC1NC2(C(=O)Nc3ccccc32)C2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)C12,0
+Nc1cc(Cl)cc(Cl)c1NC(=O)C[NH+]1CCSCC1,0
+CC(C(=O)Nc1sc2c(c1C(N)=O)CCC2)[NH+](C)Cc1ccccc1N1CCCC1,0
+Cc1cccc(C(=O)N2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)c1,1
+CC(C)C(NS(=O)(=O)C=Cc1ccccc1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1,0
+NC(=O)COc1ccc(Cl)cc1C[NH2+]C1C2CC3CC(C2)CC1C3,0
+CCOc1cc(C(Nc2cccc(C)[nH+]2)c2ccc3ccc(C)nc3c2O)ccc1O,0
+COc1cc(C)c(Cl)cc1S(=O)(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1,0
+CSc1cccc(NC(=O)OC2CCC3(C)C(CC(=O)NCc4ccco4)C(O)CCC3C2(C)CO)c1,0
+CN(C)S(=O)(=O)c1ccc2c(c1)C(=O)Nc1cc(Cl)ccc1O2,0
+CC1CCC[NH+](CC(C)NC(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)C1,0
+C[NH+]1CCN(c2cc(N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)ccc2[N+](=O)[O-])CC1,0
+C[NH+](C)C(CNC(=O)Nc1cccc(Cl)c1Cl)c1ccsc1,0
+Cc1ccc2c(c1)-c1nnc(-c3ccc(C4(N)CCC4)cc3)n1-c1cccnc1N2,1
+Cc1noc(-c2cc(NCCN3CCCC3)c(C)c(N3CCN(c4ncnc5[nH]nc(Br)c45)CC3)c2)n1,1
+Nc1ncccc1-c1nc2ccc(-c3cccnc3)nc2n1-c1ccc(CC(=O)Nc2ccccc2)cc1,1
+NC(COc1cncc(-c2ccc3[nH]nc(Cl)c3c2)c1)Cc1c[nH]c2ccccc12,1
+CC1(C)C2CC=C(CN(CC[NH+]3CCN(C(=O)c4ccccc4)CC3)C(=O)Nc3ccc(Cl)cc3)C1C2,0
+COc1ccc(OCc2nnc(SCC3=NC(=O)C4=C(C)C(C(=O)[O-])SC4=N3)n2C)cc1,0
+NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1n[nH]c2ccccc12,1
+O=C(CSC1NN=C(C2=c3ccccc3=[NH+]C2)N1CC1CCCO1)NC(=O)NC1CC1,0
+COc1cc(C(=O)[O-])c(NC(=O)COc2ccc(Br)cc2Cl)c(OC)c1OC,0
+CC1CCc2sc(C(=O)NNC(=O)c3ccc(S(N)(=O)=O)cc3)cc2C1,0
+O=C1Nc2ccccc2C1=Cc1ccc[nH]1,1
+O=S(=O)(NCC[NH2+]C1CC1)c1ccc(Br)s1,0
+Cc1ccc(C(=O)N2CC(C(=O)NC(C)CCCC(C)(C)O)C3(CC[NH2+]CC3)C2)cc1C,0
+NC(=O)CC1NC2(C(=O)Nc3ccccc32)C2C(=O)N(CC3CCCO3)C(=O)C12,0
+Cc1cc(C)c(S(=O)(=O)Nc2cc(SC(N)=[NH2+])c(O)cc2C)c(C)c1,0
+CCc1c(-c2ccc(Cl)cc2)c(C(N)=O)c(C)n1CCC[NH+](C)C,0
+COC(=O)c1cc(NC(=S)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc(C(=O)OC)c1,0
+O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4cc5[nH]cnc5cc4nc3-c3ccccc3)cc2)CC1,1
+O=C1CC2OCC3=C(C(=O)c4ccccc4C3=O)C2O1,1
+CC1(C)CC(Nc2ncnc(Nc3ccc(Br)cc3)c2[N+](=O)[O-])CC(C)(C)[NH2+]1,0
+Cc1n[nH]c2ccc(-c3nnc(NCC(N)Cc4ccccc4C(F)(F)F)s3)cc12,1
+Cn1c(CC(=O)N2CCc3c2cccc3C(F)(F)F)nc(N2CCOCC2)cc1=O,1
+CCOc1ccc(C(=O)NCCn2cc(SC(N)=[NH2+])c3ccccc32)cc1,0
+Cc1cccc(CNC(=O)NCC(c2cccs2)[NH+]2CCCC2)c1,0
+COC(C)c1cccc(C2=[NH+]C(N)=[NH+]C3N=NC=C23)c1,0
+CC1(C)CC(NC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)CC(C)(C)[NH2+]1,0
+CNC(=O)NC(=O)C(C)N1CC[NH+](CC(=O)N2CCCCC2C)CC1,0
+CN(CC(C)(C)C)C(C[NH3+])c1cc(Br)c(Br)o1,0
+CC(C)[NH+]1CCc2c(sc3c2C(O)=NC(c2c(F)cccc2Cl)N3)C1,0
+CCCS(=O)(=O)Nc1ccc(-c2ccc3[nH]nc(N)c3c2)cc1,1
+COc1ccc2c(c1)OC1=C(C(=O)CCC1)C2C1C(=O)CCCC1=O,0
+CC(CCc1ccc(OC(C)C)cc1)[NH2+]C(C(N)=O)c1ccc(F)cc1,0
+CCc1ccc(C(C)NC(=O)C2CN(C(=O)c3cc(OC)cc(OC)c3)CC23CC[NH2+]CC3)cc1,0
+O=C(CCC(=O)NNC(=O)C1C=c2cc(Oc3ccccc3)ccc2=[NH+]1)NCCc1ccccc1,0
+NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,1
+COCC[NH+](CC(=O)Nc1cccc(C)c1C)CC(=O)N(CCC(N)=O)c1ccccc1,0
+Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC(C)C)C(=O)CSC3c2ccccc2C)c(C)c1,0
+O=P1(c2ccccc2O)N[NH+]2CC3C=C(c4ccccc4O)C(c4ccccc4O)=CC3CC2CO1,0
+CCOc1ccc(Nc2c(C)c(NC3CCC([NH2+]CC(C)C)CC3)c(C#N)c3ccnn23)cc1,0
+CC(=O)N1CCOc2ccc(S(=O)(=O)N(C)C3CCCC(C)C3C)cc21,0
+CC[NH+](C)Cc1cccc(CNC(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1,0
+CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)cc3)cn2CCN2CCCC2)CC1,1
+COc1ccc2c(c1)=[NH+]C(C(=O)NCC(C)c1ccccc1)C=2Sc1ccc(C)cc1,0
+CC(C)C(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1,0
+CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccco3)c2)c(Br)c1,0
+CC(=NNc1nc(SCCC(=O)Nc2ccccc2[N+](=O)[O-])n[nH]1)c1ccc(Br)cc1,0
+C[NH+](CC(=O)Nc1sc2c(c1C(N)=O)CCC2)Cc1nc2ccccc2s1,0
+NC(=O)N1CCC(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1,0
+CCn1c(-c2nonc2N)nc2cncc(CNC3CCNCC3)c21,1
+NS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)=[NH+]C(C(F)(F)F)[NH+]=3)cc1,0
+CC1=C(c2ccc(C)cc2)N2CCS(=O)(=O)N=C2S1,0
+CC1CC(C)C[NH+](CCCNC(=O)NNC(=O)C(C)Oc2ccccc2F)C1,0
+CC(C)CN(C(=O)CSc1nnc2[nH]c3ccccc3n12)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,0
+CC(C)CCOc1ccc(C(=O)NC(=S)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1Br,0
+OC(COc1ccccc1C[NH2+]CC1CCOCC1)C[NH+]1CCSCC1,0
+C[NH+](CCCC(=O)Nc1ccc(N)cc1Cl)C1CCSC1,0
+CCOc1ccc(C2=NC(c3ccc(F)c(Br)c3)[NH2+]C(c3cccc(OCC)c3O)C2)cc1,0
+CC([NH3+])C(c1ccc(Br)s1)N(C)Cc1ccc(Br)cc1,0
+CCCCN(C(=O)C[NH+](C)Cc1ccccc1C(F)(F)F)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,0
+CCC([NH3+])C(c1ccc(Br)s1)N(C)Cc1ccc(C)cc1,0
+Cn1c(N)c(C(=O)COC(=O)C2(C)CC2(Cl)Cl)c(=O)n(C)c1=O,0
+Nc1ccc(S(=O)(=O)NCc2ccccc2OCC[NH+]2CCCCC2)cc1,0
+Nc1c(N(Cc2ccccc2)c2ccccn2)nc[nH+]c1Nc1ccc(F)c(F)c1,0
+COc1cc(C=NN2C(=S)N=[NH+]C2c2ccccc2F)cc(Br)c1O,0
+CC(C)[NH+]1CCc2c(sc3c2C(O)=NC(c2ccc[nH]2)N3)C1,0
+Nc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3I)cc12,1
+NC(=O)c1c(Nc2nc(N3CCN(Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])sc2c1CCC2,0
+COc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C)c3)cn2CC2CNC2)CC1,1
+CC1(C(=O)NCCCS(N)(=O)=O)CC[NH2+]C1,0
+C=CCN(C)C(=O)C(C)C1CCC2(C)Cc3sc(NC(=O)C[NH+](C)C)nc3C(C)C2C1O,0
+COc1cc(-n2c(=O)[nH]c([O-])c(C3NCCC4=c5ccccc5=[NH+]C43)c2=O)cc(OC)c1OC,0
+CCOc1ccccc1NC(=O)NCC(c1ccc2c(c1)CCCN2C)[NH+]1CCCCC1,0
+CCOC(=O)C1=C(C[NH+]2CCCN(C(=O)C3CC3)CC2)N(CC)C(=O)NC1c1ccc(Cl)c(Cl)c1,0
+CCC([NH3+])C(c1ccc(Br)s1)N(C)Cc1cc(Br)cs1,0
+COc1ccc(C(=O)c2sc(Nc3ccc(C)cc3C)c(S(=O)(=O)c3ccc(C)cc3)c2N)cc1,0
+NC(=O)CC1CCN(C(=O)NCC2CCC[NH+]2CC2CCCCC2)CC1,0
+CC1(C)CC(Nc2ncnc(Nc3ccc4c(c3)OCCO4)c2[N+](=O)[O-])CC(C)(C)[NH2+]1,0
+Cc1occc1-c1nc(N)c(OCC(N)Cc2c(Cl)[nH]c3ccccc23)cc1-c1cnc2[nH]nc(C)c2n1,1
+CNCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(F)c1,1
+CC(C)C(NC(=O)c1cccc(Cl)c1)C(=O)NN=Cc1cn(CC(N)=O)c2ccccc12,0
+CCC[NH+]1CCC(NS(=O)(=O)c2ccc(CC[NH3+])s2)CC1,0
+Nc1ccc(C(=O)Nc2ccc(C3[N-]C4=CC(=[NH+]C(=O)c5ccc(N)cc5)C=CC4=[NH+]3)cc2)cc1,0
+[NH2+]=C(NCCCc1c[nH]cn1)NCCC(c1ccccn1)c1ccccc1F,0
+COc1cc(NC(=O)NCc2nnc(SCc3ccccc3C)n2-c2ccc(C)cc2)cc(OC)c1,0
+OCc1ccccc1C[NH2+]Cc1ccc(OC(F)(F)C(F)C(F)(F)F)cc1,0
+COc1cccc(NC(=O)Nc2ccc(N3CCN(C(=O)c4ccc(Br)cc4)CC3)[nH+]c2)c1,0
+CC(C)[NH+]1CCC(CNS(=O)(=O)c2cc(Br)cnc2N)C1,0
+NCC(NC(=O)c1cc(-c2ccnc3[nH]ccc23)cs1)c1ccccc1,1
+CC1Cc2ccccc2N1C(C[NH3+])c1c(O)ccc2ccccc12,0
+Cc1ccc(-c2cn(-c3ccc(C)cc3)c(=NC(=O)C[NH2+]CC(C)C)[nH]2)cc1,0
+CC1(C)C([N+](=O)[O-])C(c2ccc(Br)cc2)[NH2+]C(c2ccc(Br)cc2)C1[N+](=O)[O-],0
+CCOc1cc(C[NH2+]CC2CCC[NH+]2CC)cc(Cl)c1OCc1ccccc1F,0
+Cc1n[nH]c2ccc(-c3cc(OCC(N)Cc4ccccc4)cnc3-c3ccco3)cc12,1
+Nc1ncccc1-c1nc2cc(C3CCCC3)cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,1
+Cc1cc(S(N)(=O)=O)cc(NC(=O)c2cnn(-c3ccccc3)n2)c1C,0
+Cc1ccc2nc(NC3=[NH+]C(C(=O)Nc4ccc(Cl)c(Cl)c4)CC(=O)N3)nc(C)c2c1,0
+CCOC(=O)c1sc(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c(C(N)=O)c1C,0
+CC1CC[NH+](CC(O)CNC(=O)NC(c2ccc(F)cc2)C(C)C)CC1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cccc([N+](=O)[O-])c1O,1
+[NH3+]C1CC1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1,0
+Cc1ccc(OCC(O)C[NH2+]CC(=O)NC(C)C)c(Br)c1,0
+CC(=O)N1CCSc2ccc(S(=O)(=O)N3CCCCC3C)cc21,0
+NC(COc1cnc(Cl)c(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,1
+COc1cc(C[NH+]2CC3CC(C2)c2cccc(=O)n2C3)cc(I)c1O,0
+CCOC(=O)C1[NH+]=c2ccc(OC)cc2=C1NC(=O)Nc1ccc(Cl)c(Cl)c1,0
+Nc1ncn(CC(O)C[NH+]2CCOCC2)c2nc(N3CCOCC3)nc1-2,0
+CCCC(C)C(=O)N1CC(C(=O)NCC2CC[NH+](C)C2)C2(CC[NH2+]CC2)C1,0
+CCC([NH2+]CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C12CC3CC(CC(C3)C1)C2,0
+N#Cc1ccc(-c2ccc(OCC(=O)NN=C3[NH+]=C(N)c4ccccc43)cc2)cc1,0
+COC(=O)c1ccc(C2Nn3c(nnc3-c3ccccc3)SC2C(=O)Nc2cccc(C)c2C)cc1,0
+CC(=CC(=O)N1CCN(c2[nH+]cc(C(F)(F)F)cc2Cl)CC1)N1CCN(c2ccc(Cl)cc2)CC1,0
+Cc1cc(C)c(NC(=O)CNC(=O)C[NH+]2CCN(CC(=O)Nc3cccc(C)c3C)CC2)c(C)c1,0
+N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccccc3F)cn2CCN2CCC2)CC1,1
+NC(=[NH2+])c1ccccc1CSc1nc2ccccc2s1,0
+C[NH+](CC(=O)NC(=O)NC(C)(C)C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1,0
+NC(=O)c1ccc(N2CCC(CCc3ccccc3)C2)c2cncnc12,1
+CCC[NH+](CC(=O)NCc1ccc(S(N)(=O)=O)cc1)C(C)c1ccc(Cl)c(Cl)c1,0
+O=C(C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)N1CCOC2CCCCC21,0
+C[NH+]1CCCC(CNS(=O)(=O)c2ccc(Br)cc2N)C1,0
+NC(=O)NC(=O)C[NH+](CCc1ccccc1)CC(=O)NC(N)=O,0
+Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NNC(=S)Nc3ccc(Br)cc3)o2)c1,0
+CCCCC(NC(N)=O)C(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1,0
+Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3cccc(Br)c3)c(N3CC[NH+](C)CC3)nc12,0
+COc1cccc(C2CC(c3cc(Br)ccc3O)NC(c3ccc(Br)cc3)[NH2+]2)c1,0
+CC(c1nnc(SC(C(=O)NC(N)=O)c2ccccc2)n1-c1ccc(F)cc1)[NH+]1CCCCC1,0
+CCC(C)CNC(=O)C1CSC2(CCN(C(=O)CCC3CCCC3)CC2)[NH2+]1,0
+Cc1cc(C)c(NC(=O)CC[NH+]2CCCC2c2ccc(C(N)=O)s2)c(C)c1,0
+Cc1[nH]c2ccccc2c1CC(N)COc1cncc(-c2ccc3[nH]nc(C)c3c2)c1,1
+CCC(C)[NH+](C)CCNC(=O)NNC(=O)c1ccc2ccccc2n1,0
+CCCOc1ccc(Br)cc1C1NC(N)=[NH+]c2nc3cc4c(cc3n21)OCCCO4,0
+CN1C(=O)C(C2NCCC3=c4ccccc4=[NH+]C32)C(O)N(c2ccc(Cl)cc2)C1=O,0
+CC(C)CCC(=O)NNC(=O)NCc1ccc(N2CC(C)OC(C)C2)[nH+]c1,0
+COc1cc(C[NH+](C)C(C)C(=O)Nc2sccc2C(N)=O)ccc1SC,0
+CC(C)C(NC(=O)c1c(F)cccc1F)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1,0
+CCN(CC)S(=O)(=O)Nc1cc(C#CC[NH3+])ccc1Cl,0
+CC[NH+]1CCCC1CNC(=O)CN1C(=O)C(=Cc2ccc(C(F)(F)F)cc2)Sc2ccccc21,0
+COc1cc(Br)c(C[NH2+]CCS(N)(=O)=O)cc1OC,0
+C=CCCC(O)C[NH+](Cc1ccccc1)Cc1nc2sc3c(c2c(=O)[nH]1)CCCCC3,0
+Cc1ccc(C[NH+]2CCN(c3nc(SCc4cc(C)ccc4C)nc4sc5c(c34)CCC5)CC2)c(C)c1,0
+COc1cccc(C=CC(=O)c2sc(C(N)=S)nc2C)c1O,0
+COC(=O)c1ccc(C=NNc2nnc(SCCC(=O)N(c3ccccc3)c3ccccc3)n2N)cc1,0
+CC(c1nnc(SCC(=O)Nc2cccc3ccccc23)n1-c1ccccc1)[NH+]1CCCCC1,0
+C[NH2+]C1(P(=O)([O-])O)CC(C)(P(=O)([O-])O)P(=O)([O-])OP1(=O)[O-],0
+CC(C)n1c(Sc2nccnc2C(N)=[NH2+])n[nH]c1=O,0
+O=c1[nH]cnc2c1ncn2C1OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C(O)C1O,0
+NC(COc1cncc(C#Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,1
+CCC([NH3+])C(c1cc(Br)cs1)N(CCO)C(C)C,0
+Cc1ccc(-c2ccc(CNC3CCC[NH+](CC(N)=O)C3)s2)cc1,0
+NS(=O)(=O)c1cccc(NC(=O)CC[NH+](Cc2cccc(F)c2)CC2CCCO2)c1,0
+O=C(CCSc1n[nH]c(NN=Cc2cc(Br)ccc2O)n1)Nc1ccc(Cl)cc1,0
+CCC[NH+](CCc1ccccc1)Cc1c(C)nn(-c2ccc(F)cc2)c1N1CC[NH+](C)CC1,0
+COc1ccc(C)cc1NC(=O)C1CCCN(S(=O)(=O)c2c(C)noc2C=Cc2cc(C)ccc2C)C1,0
+Cc1n[nH]c2ccc(-c3nnc(NCC(N)Cc4ccc(Cl)cc4Cl)s3)cc12,1
+Cc1ccc(C(=O)N2CC(C(=O)NC(Cc3ccccc3)C(=O)N3CCCCC3)C3(CC[NH2+]CC3)C2)c(C)c1,0
+COc1ccc(OCCN2CC[NH+](C(C)C(=O)NC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1,0
+CCC([NH3+])Cc1c(O)cc(C)c(C(=O)Oc2cc(C)c(C(=O)OC)c(O)c2C)c1O,0
+CCC[NH+]1Cc2cccc(NC(=O)C(=O)NC(c3ccc(F)cc3)C(C)C)c2C1,0
+COC(=O)c1cc(OC)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+NC1(c2ccc(-c3nc4cc(-c5ccc(F)cc5)ccn4c3-c3ccccc3)cc2)CCC1,1
+Cc1cccc(COC(C[NH+]2CCN(C(=O)c3cc4ccccc4s3)CC2)c2ccc(Cl)cc2)c1,0
+O=C(CNC(=O)Nc1ccc(N2CCCC2)[nH+]c1)Nc1ccc(F)c(F)c1F,0
+Cc1[nH+]ccn1-c1ccc(Nc2n[nH]c(=O)[nH]c2=O)cc1,0
+CCc1ccc(C(=O)N2CC(C(=O)NCC(C)(C)C[NH+](C)C)C3(CC[NH2+]CC3)C2)cc1,0
+CC([NH2+]Cc1cccc(O)c1O)c1cccc(Br)c1,0
+CC(=O)Nc1ccc(F)c(NC(=O)NCC(c2ccc(C)cc2)[NH+]2CCCC2)c1,0
+COc1ccc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4C(N)=O)CC3)n2)cc1Cl,1
+CC([NH3+])C(c1ccc(Br)s1)N(CCC#N)c1ccccc1,0
+CCCCN1c2ccccc2C(=O)C(C(=O)NC2C(=O)[NH+]=c3ccccc3=C2O)C1O,0
+CCC([NH3+])C(c1cccc(Br)c1)N(CC(F)(F)F)C(C)C,0
+CCN(CC)c1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c[nH+]1,0
+CC12C(=O)N(CC(O)c3ccccc3)CC(=O)N1CC(c1ccccc1Cl)C1=c3ccccc3=[NH+]C12,0
+Cn1c(=NC(=O)C2CCN(S(C)(=O)=O)CC2)sc2cc(Br)ccc21,0
+CN(C)C(=O)C[NH+](C)Cc1cc([N+](=O)[O-])ccc1NN,0
+NC(=O)COc1ccc(C=CC(=O)NCCC[NH+]2CCc3ccccc3C2)cc1,0
+Cc1cccc(N2C(SCC(=O)Nc3nccs3)=NNC2Cc2cc(=O)[nH]c(=O)[nH]2)c1,0
+NC(=O)c1c(NC(=O)CSc2nnc(-c3ccccc3F)[nH]2)sc2c1CCC2,0
+CCC[NH+]1CCC(CN2C(=S)N(c3ccc(C)cc3)C(=O)C2CC(=O)Nc2ccc(F)cc2)CC1,0
+CCc1ccc(C([NH2+]CC(=O)Nc2cccc(S(N)(=O)=O)c2)C(C)C)cc1,0
+CC1CCCCC1NC(=O)NC(C(=O)[O-])C1CC1,0
+CCC([NH3+])C(c1ccc(Br)s1)N1CCCC1CCCO,0
+Cc1ccc(NC(=O)NC(=O)C[NH+](C)CC(=O)Nc2ccc(F)c(F)c2F)c(C)c1,0
+O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1,0
+CSCCC(NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccc(C)c(Cl)c1,0
+CNCCn1cc(-c2ccnc(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2Br)CC1,1
+CC1CCCN(C(=O)c2cccc(N3NC(=O)C4CC=CCC4C3=O)c2)C1,0
+c1cnc2nc(-c3ccc4[nH]ncc4c3)c(NC3CCCCC3)n2c1,1
+COc1ccc(C(C[NH2+]CC(O)COC2CCCc3ccccc32)N2CCOCC2)cc1,0
+CC(C)C(NC(=O)CN1CCC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc2c(c1)OCCCO2,0
+CC(C)CCNC(=O)c1cn(CC(C)C)cc(C(=O)NCCC2[NH+]=c3ccccc3=[NH+]2)c1=O,0
+Cc1ccc(NC(=O)CSc2nnc(C(C)[NH+](C)C)n2-c2ccc(F)cc2)cc1S(N)(=O)=O,0
+Cc1cc2nc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCCC(C)C4)cc3)sc2cc1C,0
+Nc1ncc(CN(CC[NH+]2CCCCC2)CC2CCC[NH+](C3CCCC3)C2)cn1,0
+CC(C)CNC(=O)C[NH+]1CC(O)CC1C(N)=O,0
+CN(c1ccccc1)c1[nH+]cnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1N,0
+CCc1ccccc1NC(=O)C[NH+](C)C(C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F,0
+CCC([NH3+])C(c1ccc(Br)s1)N(C)Cc1ccc(C)o1,0
+COc1ccc(S(=O)(=O)Nc2ccc(CCC3[NH+]=c4ccc(C)cc4=[NH+]3)cc2)cc1OC,0
+O=C(C1CCN(c2ccc(Sc3ccc(Cl)cc3)nn2)CC1)N1CCN(c2cccc[nH+]2)CC1,0
+Cc1cc(CC(N)COc2cncc(-c3ccc4[nH]nc(C)c4c3)c2)ccc1F,1
+CCC(C)C[NH+](C)CCC(=O)Nc1c(N)cc(Cl)cc1Cl,0
+NC(=O)c1ccc([NH+]=c2oc3cc(O)ccc3cc2C(=O)NCc2ccco2)cc1,0
+CNC(=O)c1cccc(NC(=O)C(=O)NCCC[NH+](C)C(C)C)c1C,0
+CCCCCCOc1ccc(N2C(=O)CC(SC(=[NH2+])NN=C(C)c3ccc(O)cc3)C2=O)cc1,0
+COc1ccc(CCNC(=[NH2+])NCCc2csc(-c3ccc(C)cc3)n2)cc1,0
+CC([NH3+])C(c1ccc(Br)cc1)N(C)Cc1cc(Br)cs1,0
+CS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)C3C=c4ccccc4=[NH+]C3=O)cc2Cl)c1,0
+CCOC(=O)C([NH3+])Cc1cc(I)c(O)c(I)c1,0
+Cc1cc(NC(=O)C(=O)Nc2ccccc2C(=O)NC(C)(C)C)no1,0
+Cn1ncc(Cl)c1-c1cc(C(=O)NC2(c3ccc(F)cc3)CCNCC2)oc1Cl,1
+COc1nn2cc(-c3c(F)cccc3F)c(-c3ccc(CN4CC(c5n[nH]c(-c6cccc(C)n6)n5)C4)cc3)nc2c1CO,1
+Sc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3ccn12,1
+Cc1ccc(NC(=O)C2C3C=CC4(O3)C2C(=O)N(Cc2ccc(F)cc2)C4C(=O)NC2CCCCC2)cc1C,0
+COC(=O)c1cc(Br)cc(Br)c1NC(=O)CNC(=O)C[NH3+],0
+NC(=O)C1(N2CCCCC2)CC[NH+](CC(=O)Nc2cccc(Br)c2)CC1,0
+CC(SC1NN=C(C2=c3ccccc3=[NH+]C2)N1c1ccc(Cl)cc1)C(=O)NC1CCCC1,0
+NC(COc1cncc(-c2cccc3cnccc23)c1)Cc1c[nH]c2ccccc12,1
+Cc1cc(C(=O)N2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)no1,1
+CC(=O)[NH+]=c1ccc2c(CSc3ncnc4sc(-c5ccccc5)cc34)cc(O)oc-2c1,0
+COc1c(Cl)cc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1Cl,0
+CCC(CC)C(=O)N1CC(C(=O)NCc2ccccc2Sc2ccccc2CO)C2(CC[NH2+]CC2)C1,0
+C=CCCC(O)C[NH+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C(C)C,0
+[NH2+]=C(Nc1ccc(Oc2ccccc2)cc1)Nc1nc(O)c2c(n1)CCCC2,0
+O=c1[nH]c(-c2ccccc2)cn1C1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+CC(=O)Nc1ccc(S(=O)(=O)NC2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1,1
+Cc1ccc(C[NH+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C2CC2)cc1,0
+COc1ccc2c(c1)=C(CCNC(=O)CC1=NN3C(=O)C=C(C)NC3N1)C[NH+]=2,0
+CCOCCCn1c(SCc2nc(N)nc(Nc3ccccc3)n2)nc2cc(Cl)ccc2c1=O,0
+COc1cc(C[NH2+]CC[NH2+]CC(C)O)cc(Br)c1OCc1ccc(C)cc1,0
+CCC(NS(=O)(=O)c1ccc(C[NH3+])s1)c1cccs1,0
+CC(C)C([NH2+]CC(=O)N1CC(C(N)=O)Oc2ccccc21)c1cccs1,0
+CCC([NH3+])C(c1cc(Br)cs1)N1CCC(CO)CC1,0
+CC(NC(=O)C[NH+]1CC(O)CC1C(N)=O)C1CC1,0
+Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1N,0
+CC1CCC[NH+](C(C)CNC(=O)Nc2ccc(C(=O)NC(C)C)cc2)C1,0
+Nc1cc2cc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)ccc2cn1,1
+CC(C)CNC(=O)NC(=O)C(C)SC1NN=C(C2=c3ccccc3=[NH+]C2)N1C1CC1,0
+CCN(CC)c1ccc(C=NNc2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)n2N)c(O)c1,0
+CC(C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[NH+](C)Cc1ccc(F)cc1,0
+CC(C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1,0
+NCC(Cc1ccc(F)cc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,1
+[NH2+]=C1Cc2ncnn2C(N2N=C(c3ccccc3)CC2(O)C(F)(F)F)=NN1,0
+CC1=C2C(N=N1)OC(N)=C(C#N)C2c1cc(Cl)cc(Cl)c1O,0
+S=C1N(c2ccccc2Cl)C([NH2+]C2CCCCC2)=C(N2CCOCC2)C12CCCCC2,0
+C[NH+](CC(=O)Nc1c(Cl)cccc1Cl)CC(=O)N1N=C(c2ccco2)CC1c1cccs1,0
+O=S1(=O)CCC([NH2+]CC(O)c2cc(Cl)ccc2Cl)C1,0
+O=C(NCCNC(=O)C1C=c2ccccc2=[NH+]1)C(=O)Nc1ccc(Cl)cc1Cl,0
+CNC(=O)c1nn(CC2CCCCC2)c2c1CC([NH2+]CC1(O)CCCCC1)CC2,0
+CC1CCC[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)C1,0
+Clc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1,1
+COc1cc2c(cc1OC)C(=CCOCc1c(-c3ccc(F)cc3)nc(N(C)S(C)(=O)=O)nc1C(C)C)OC2=O,1
+N#Cc1c(Nc2ccccc2)sc2c(N)nc(N)nc12,0
+Cc1cc(C)c(C(N)=[NH2+])c(N(C)Cc2ccc(Cl)s2)n1,0
+CCC[NH+]1Cc2cccc(NC(=O)CCNC(=O)c3ccsc3)c2C1,0
+CC(C)(O)C#Cc1ccc(CN2CC[NH+](C3CCCC3)C(CCO)C2)cc1,0
+CC(C)(C)C([NH2+]Cc1csc(-c2ccc(C(N)=O)cc2)n1)c1cccs1,0
+NC(=[NH2+])NCCCC1NC(=O)N(C(CC2CCCCC2)C(=O)N2CCC3(CCc4ccccc43)CC2)C1=O,0
+NC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2C2CNC2)CC1,1
+Cc1cc(Br)ccc1NC(=O)C[NH+](C)C(C)C(=O)NC(N)=O,0
+O=C(CCCNC(=O)N1CCC2=c3ccccc3=[NH+]C2C1)Nc1cccc(O)c1,0
+O=C(COc1ccccc1)N1CCCN(c2nc(CN3CC[NH+](C4CCCCC4)CC3)cc(=O)[nH]2)CC1,0
+Cc1ccc2oc(-c3nc(C([NH3+])C(C)C)no3)cc2c1,0
+CCCCNC(=O)NC(=O)C[NH+]1CCCC(CNC(C)=O)C1,0
+O=C(NC(c1ccc(Cl)c(F)c1)C1CCNCC1)c1ccc2cnccc2c1,1
+C=CC1CCc2ncnc(N3CCN(C(=O)C(CNC(C)C)c4ccc(Cl)cc4)CC3)c21,1
+CC1(c2ccc3ccccc3c2)NC(=O)N(CCCC[NH3+])C1=O,0
+CCOc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CC2CNC2)CC1,1
+C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)c2c1,1
+COc1ccc2c(c1)=[NH+]CC=2CCNC(=O)C(C)SC1N=NNN1c1cccc(C)c1,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4cccc(I)c4)c3)cc12,1
+O=C(N1CCN(c2ncnc3[nH]cc(Br)c23)CC1)C1(c2ccc(Cl)c(Cl)c2)CCNCC1,1
+NC(CNc1cc(-c2ccc3cnccc3c2)no1)Cc1ccc(C(F)(F)F)cc1,1
+Cc1cc(C)c2c(N)c(C(=O)OCC(=O)NC(=O)NC34CC5CC(CC(C5)C3)C4)sc2[nH+]1,0
+CCOc1ccc(C2=NC(C(=O)NCCc3ccccc3F)=CC3=c4ccccc4=[NH+]C23)cc1OC,0
+Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)NN=Cc2cc(Br)ccc2OCC#N)cc1,0
+CC([NH2+]Cc1ccc(S(N)(=O)=O)cc1)c1ccccc1Br,0
+CC1=C(C(=O)NCC(C2=c3ccccc3=[NH+]C2)c2ccccc2)SC(C)N1,0
+CCOc1cc(C[NH2+]C(C)(C)CC(C)(C)C)cc(Cl)c1OCC(N)=O,0
+CCc1ccc(C(C)NC(=O)C2CN(C(=O)C(CC)CC)CC23CC[NH2+]CC3)cc1,0
+[NH3+]CC(c1c(O)ccc2ccccc12)N1CCCc2ccccc21,0
+NC(=O)C1CCC[NH+]1Cc1cccc(NC(=O)c2cc3c(s2)CCCCCC3)c1,0
+Cc1ccsc1C(=O)NNC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1,0
+NC(=O)CN1CCCC([NH2+]Cc2ccc(-c3cccc(Cl)c3Cl)o2)C1,0
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1,1
+CC1Cc2c(O)cccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+CC1COCCN1c1nc(N2CCOCC2C)c2ccc(-c3ccc4c(c3)C(=O)NCCN4)nc2n1,1
+Cc1cc(C)nc(NC(=NC(=O)Nc2ccc(Cl)c(Cl)c2)NC2CC(C)(C)[NH2+]C(C)(C)C2)n1,0
+C[NH+](Cc1ccc(Br)s1)CN1C(=O)NC(Cc2ccccc2)(c2ccccc2)C1=O,0
+COc1cccc(NC(=O)C(CCSC)NC(=O)C2Cc3ccccc3C[NH2+]2)c1,0
+O=[N+]([O-])c1cccc(Nc2nc(NN=Cc3cc(Br)ccc3O)nc(N3CCOCC3)n2)c1,0
+CC1CCCC(CNC(=O)NC(C)c2cccc(S(N)(=O)=O)c2)([NH+](C)C)C1,0
+CN(C)c1cc(CNS(=O)(=O)c2cc(C(N)=O)n(C)c2)cc[nH+]1,0
+Cc1cccc(C)c1NC(=O)c1cc2c(=O)n3ccccc3nc2n1C,0
+NCC(Cc1ccccc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,1
+O=C(C=Cc1nc2cc(F)c(F)cc2[nH]1)c1c(-c2ccc(F)c(F)c2)c2cc(F)ccc2[nH]c1=O,1
+CCN1CCN(S(=O)(=O)c2cccc(NC(=O)c3ccccc3NC(=O)NC(C)C)c2)CC1,0
+CCc1ccc(C(CNC(=O)C(CC2=c3ccccc3=[NH+]C2)NC(C)=O)[NH+](C)C)cc1,0
+CC(C)C(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC1CC[NH+](CC(N)=O)CC1,0
+O=S(=O)(N=C1N=c2ccccc2=[NH+]C1Nc1cccc(Br)c1)c1cccc(Cl)c1,0
+COc1ccc(C(=O)N(C(C(=O)NC2CCCCC2)c2ccc(C)cc2C)C(C)(C)C)cc1,0
+[NH3+]C1CC1C(=O)N1CCC(C(=O)NCCCO)CC1,0
+Cc1ccccc1CNC(=O)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+O=C(NCCC1=c2ccccc2=[NH+]C1)C(=O)NCC(c1ccco1)S(=O)(=O)c1ccc(F)cc1,0
+CNCCn1cc(-c2ccnc(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2Cl)CC1,1
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2c(-c3ccncc3)cccc21,1
+COC(=O)Nc1ccc(CNC(=O)C[NH2+]C(c2cccs2)C(C)(C)C)cc1,0
+COc1cc2c(cc1OC)C(c1c(O)nc(O)n(CCc3ccccc3)c1=O)[NH2+]CC2,0
+COc1ccc(CCC(=O)NCC(=O)N2CCC3(CC2)NCCc2[nH+]c[nH]c23)cc1,0
+COc1ccc(CN2C(=O)C3C(C(C)O)[NH2+]C4(C(=O)Nc5c4ccc(C)c5C)C3C2=O)cc1,0
+COc1ccc(Br)cc1C(C[NH3+])N1CCCSCC1,0
+Cc1ccsc1C[NH+](C)CC(=O)Nc1sc2c(c1C(N)=O)CCCC2,0
+Cn1ncc(Br)c1-c1coc(C(=O)NC2CNCC2c2ccc(F)c(F)c2)c1,1
+NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CSC1[NH+]=c2ccc(Cl)cc2=[NH+]1,0
+COc1cc2c(cc1OC)C(c1c(O)nc(O)n(CCc3ccccc3)c1=O)[NH2+]CC2,0
+Cc1ccc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4C(N)=O)CC3)n2)cc1F,1
+Nc1ncnc(Nc2cc(CNC(=O)C(F)(F)F)c(O)c(-c3ccc(Cl)cc3)c2)n1,1
+C[NH+]1CCc2c(sc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2C(N)=O)C1,0
+COc1ncc(-c2cc3c(C)nc(N)nc3n(C3CCC(OCO)CC3)c2=O)cn1,1
+CCC1CCCC[NH+]1Cc1c(O)ccc2c(=O)c(Oc3cc(C)c(Cl)c(C)c3)c(C(F)(F)F)oc12,0
+CCN(CC)c1ccc(NCc2ccc(O)c(Br)c2)c[nH+]1,0
+CC(C)[NH2+]C(C)(CCCCSc1ccc(Br)cc1)C(N)=O,0
+CCOC(=O)C1=C(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)NC(=O)NC1c1cc(C)ccc1C,0
+O=C(C[NH+]1CCCC(C(F)(F)F)C1)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl,0
+COc1ccc(OC(C)CNC(=O)C2CN(C(=O)c3cc(C)oc3C(F)(F)F)CC23CC[NH2+]CC3)cc1,0
+CCOc1ccc(N2C(=O)CC(SC(=[NH2+])NN=C(C)c3ccc(OC)c(Br)c3)C2=O)cc1,0
+CCCCOc1ccc(C(=O)NCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1,0
+CC(c1cccc(S(N)(=O)=O)c1)[NH+](C)CC(=O)Nc1ccc(Br)cc1Cl,0
+COc1ccccc1Cn1c(-c2ccncc2)nc2cc(Br)cnc21,1
+CC(C)(C)OC(=O)NCC1CCCC[NH+]1CC(=O)NC(c1ccc(F)cc1)c1cccs1,0
+CCCC[NH+](CC(=O)Nc1sccc1C(N)=O)Cc1ccccc1F,0
+COc1ccc2c(c1)=[NH+]C(C(=O)NCc1cc(Br)ccc1OC)C=2Sc1ccccc1,0
+NC1C2=CC=C(c3ccccn3)NC2SC1C(=O)NCCC1=c2ccccc2=[NH+]C1,0
+CC(=O)Nc1cccc(NC(=O)C(C)[NH2+]C(C)c2ccc(Cl)c(Cl)c2)c1,0
+COc1ccc(N2CC[NH+](C(c3cccs3)C(C)NS(=O)(=O)c3ccc(F)cc3)CC2)cc1,0
+O=C(c1cc2c(s1)-c1ccccc1CC2)N1CCN(C(=O)C2COc3ccccc3O2)CC1,0
+COc1cc(C2CC(=NNC3[NH+]=c4ccccc4=[NH+]3)c3c(C)cc(C)cc3O2)ccc1O,0
+CCC(CC)c1cc(C2C[NH+]3CCC2CC3C[NH2+]C2CCOCC2)nc(-c2ccncc2)n1,0
+[NH-]C1=NC(=O)C2=NCN(C3CC(OP(=O)([O-])[O-])C(CO)O3)C2=N1,0
+NC(=O)c1ccccc1NC(=O)C[NH+]1CCN(CC(=O)Nc2ccccc2Cl)CC1,0
+CC(NC(=O)C1CN(C(=O)c2csc3ccccc23)CC12CC[NH2+]CC2)c1ccc(Br)cc1,0
+NC(Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3cc[nH]c23)CC1,1
+O=C(O)c1ccccc1C(=O)Nc1ccccc1SCCS(=O)(=O)c1ccc(Cl)cc1,1
+Clc1ccc2c(c1)C1(CCNCC1)CN2c1ncnc2[nH]ccc12,1
+CC(C)CCOc1ccc(C(=O)NC(CC2=c3ccccc3=[NH+]C2)C(=O)NN)cc1,0
+O=[N+]([O-])c1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c12,0
+Cc1ccc(NC(=O)CSc2[nH+]c(C)c(C)n2C2CCCCC2)cc1S(N)(=O)=O,0
+COc1ccc(NC(=S)NN=CC2=c3ccccc3=[NH+]C2c2ccc(Cl)cc2)cc1,0
+C[NH+](C)C(CNC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)Cc1ccccc1,0
+Cc1cccc(N2CC[NH+](CCC(C)NC(=O)NC(C)Cn3cc[nH+]c3)CC2)c1,0
+CC1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)NCC(=O)Nc2ccccc2Br)C1=O,0
+COc1cc(N)ccc1NC(=O)C(C)[NH+]1CCCSCC1,0
+CC12CC3CC(C)(C1)CC(C(=O)NCCCc1nnn[n-]1)(C3)C2,0
+S=C(NCC1CC2CC[NH+]1CC2C[NH+]1CCCC1)Nc1ccccc1,0
+Cc1ccc2sc(N(CC[NH+](C)C)C(=O)C3CCCN3S(=O)(=O)c3ccc(Cl)s3)nc2c1C,0
+O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCC[NH+](Cc3ccccc3C(F)(F)F)CC2)nc1,0
+C=CCN1C(=O)NC(c2cccc(C)c2)C2=C1CN(C(Cc1ccccc1)C(=O)N1CCN(CC)CC1)C2=O,0
+COc1ccc(C(CNC(=O)CN2C(=O)NC(C)(c3ccc(OC)cc3)C2=O)[NH+]2CCCCC2)cc1,0
+COc1ccccc1C(O)(c1ccc(C)cc1)C(C[NH+]1CCCCCC1)Oc1ccccc1,0
+COc1ccc(S(=O)(=O)N=C2[NH+]=c3ccccc3=[NH+]C2Nc2ccc(OC(F)(F)F)cc2)cc1,0
+CC([NH2+]CC(C1=c2ccccc2=[NH+]C1)C1CC=CS1)C(=O)NCc1ccccc1,0
+CCC1CCCC[NH+]1CCCNC(=S)Nc1ccc2nc(N3CC[NH+](C)CC3)cc(C)c2c1,0
+Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)sc2ccccc12,0
+N=C(N)NC(=N)NC(=NO)c1nonc1N,1
+Fc1ccc(NC(=S)NCC2CC[NH2+]CC2)cc1Cl,0
+O=C(CC1SC([N-]N=C2CCCCCCCCCCC2)=NC1=O)Nc1ccccc1C(=O)[O-],0
+CN(Cc1ccccc1Br)c1ccc(C(N)=[NH2+])cc1Cl,0
+CCCC(C)C(=O)N1CC(C(=O)NCC[NH+]2CCCCC2)C2(CC[NH2+]CC2)C1,0
+CCC(Sc1nc2n[nH]c(C)c2c(=[NH2+])n1-c1ccc(Br)cc1)C(=O)NCCOC,0
+CC1CCc2c(sc(NC(=O)C[NH+]3CCCCCC3)c2C(=O)Nc2ccccc2F)C1,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)c2cc(Cl)cc(Cl)c2)CC12CC[NH2+]CC2,0
+CC1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)n1C,1
+N#Cc1cnc(-c2ccc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2)c(-c2ccccc2)c1,1
+Cn1c(=O)oc2cc(C([NH3+])c3ccc(I)cc3)ccc21,0
+CCOC(=O)C1=C(CSc2nc(-c3ccc(OC)cc3)n[nH]2)NC(=O)NC1c1ccc(OC)cc1,0
+CCN(Cc1cccs1)C(C[NH3+])c1ccc(Br)o1,0
+CCc1cccc2c1NC(=O)C21[NH2+]C(C(C)O)C2C(=O)N(CCc3ccccc3)C(=O)C21,0
+CCc1cccc2c(C(=O)COC(=O)CCN3c4ccccc4Sc4ccccc43)c[nH]c12,0
+Oc1nc2ccccc2n1C1CCN(Cc2ccc(-c3nc4ccccc4nc3-c3ccccc3)cc2)CC1,1
+CC1CCN(C(=O)CSC2NN=C(C3=c4ccccc4=[NH+]C3)N2C2CC2)c2ccccc2S1,0
+CC(C)C(NC(=O)c1ccccc1Cl)C(=O)NCC[NH+]1CCc2ccccc2C1,0
+Cc1nc(N2CCc3cc(Br)ccc32)c2cnn(C)c2n1,0
+Cc1c(C#N)c(NC(=O)CN2CC[NH+](CC(=O)NC(C)(C)C)CC2)n(C2CCCC2)c1C,0
+CSc1ccc(C(Nc2cccc[nH+]2)c2cc(Cl)c3cccnc3c2O)cc1,0
+Cc1c(C(=O)NN2CC[NH+](C)CC2)oc2c1C(=NNC(=S)Nc1ccccc1)CCC2,0
+NS(=O)(=O)c1ccc(NN=C2C(=[NH2+])Nn3c2nc(-c2ccccc2)cc3=O)cc1,0
+CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CC3)cc1,0
+COc1cc(NS(=O)(=O)c2cccs2)c(SC)c(C=CC(=O)O)c1O,1
+CC1(C)CC(NC(=O)Cc2csc(-c3ccc(Cl)s3)n2)CC(C)(C)[NH2+]1,0
+CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCCCNCC(O)CO)c21,1
+O=C([O-])C[NH+]1CCN(C(=O)NCC2CCS(=O)(=O)C2)CC1,0
+Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1C=NNC(=O)C([NH3+])CC(C)C,0
+CC1CC(C)C[NH+](CCNC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1,0
+Cc1n[nH]c2cnc(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12,1
+[NH-]C1=NC(=O)C2=NCN(C3OC(CO)C(O)C3P(=O)([O-])[O-])C2=N1,0
+CC[NH+](CC)CCNC(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1,0
+COc1ccc(S(=O)(=O)C2C(=O)[NH+]=c3cc(C(=O)Nc4cccc(Cl)c4C)ccc3=C2O)cc1,0
+CC(NC(=O)NCC(c1cccs1)[NH+]1CCCC1)c1cccc(S(N)(=O)=O)c1,0
+Cc1cccc(NC(=O)C[NH+](C)C(C)c2ccc(S(N)(=O)=O)cc2)c1,0
+CCOC(=O)c1sc(NC(=O)CSc2nnc(COc3ccc(C(C)C)cc3)n2N)cc1C,0
+CC(c1ccc(S(N)(=O)=O)cc1)[NH+](C)CCOc1ccc(S(N)(=O)=O)cc1,0
+CCc1ccccc1NC(=O)C[NH+]1CCN(C(C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1,0
+c1ccc(-c2cc3cccnc3nc2-c2ccc(CN3CCC(c4cc(-c5ccncc5)[nH]n4)CC3)cc2)cc1,1
+CCOc1ccc(C(O)(c2cccc(C)c2)C(C[NH+]2CCCC2)Oc2ccc(Cl)cc2C)cc1,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)c2c(F)cccc2F)CC12CC[NH2+]CC2,0
+COc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)Cc2ccccc2C)C(C)(C)C)cc1,0
+Cc1nn(S(=O)(=O)N2CCC(C)CC2)c(C)c1Br,0
+CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)cc3)cn2CCN2CC3(COC3)C2)CC1,1
+O=C(CC1C(=O)NCC[NH+]1Cc1ccccc1C(F)(F)F)NCC1(O)CCCCC1,0
+[NH3+]C1CC1NS(=O)(=O)c1cc(F)cc(F)c1,0
+Cc1[nH]c(NCC2CCS(=O)(=O)C2)c(N)[nH+]1,0
+CCOc1ccc(NC(=O)CSc2nc3n[nH]c(C)c3c(=[NH2+])n2-c2ccc(C)c(C)c2)cc1,0
+COc1cc(Br)c(C2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)cc1OC,0
+NC(CNc1nnc(-c2ccc3c(c2)CC(=O)N3)s1)Cc1ccc(C(F)(F)F)cc1,1
+CC(C)[NH2+]C(C)(CCCSc1ccccc1Br)C(N)=O,0
+[H]N=C1C(=Cc2cccn2-c2ccc3ccccc3c2)C(=O)N=C2SC=NN21,0
+CSc1ccccc1NC(=O)C(=O)NCC(c1ccsc1)[NH+]1CCCCCC1,0
+NC(=O)Cc1ccccc1NC(=O)NCC1CCC[NH+]1CC1CCCCC1,0
+NC(COc1cnc(Cl)c(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,1
+O=C1C(=O)N(CN2CC3CC4CC(C3)CC2C4)C(=O)N1Cc1cccs1,0
+COC(=O)C=Cc1c(C)nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nn12,1
+C[NH+](Cc1csc(Br)c1)Cc1cc([N+](=O)[O-])ccc1NN,0
+CC(NC(=O)C1CN(C(=O)c2ccc(C(F)(F)F)cc2)CC12CC[NH2+]CC2)C(C)(C)C,0
+N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(C2=c3ccccc3=[NH+]C2)n1CC1CCCO1,0
+C=CC[NH+](CC(=O)NCc1ccc(S(N)(=O)=O)cc1)Cc1ccc(Cl)s1,0
+NC(=O)C1C2=C(CCCC2)SC1NC(=O)CC1=c2ccccc2=[NH+]C1,0
+CC([NH+](C)CC(=O)Nc1c(Cl)cc(N)cc1Cl)C(C)(C)C,0
+NC(COc1cncc(C=Cc2ccnc(Oc3ccccc3)c2)c1)Cc1c[nH]c2ccccc12,1
+Cc1cc(C)c(NC(=O)CNC(=O)NCC(C)(C)[NH+]2CCCC(C)C2)c(C)c1,0
+CCc1cc(C(Nc2cc(C)cc[nH+]2)c2ccc(OC)cc2OC)c(NC(=O)c2ccco2)s1,0
+CCC(C)NC(=O)C1Cc2cc(C(F)(F)F)ccc2N2CC[NH+](CCc3ccccc3)CC12,0
+Cn1c(=NC(=O)C2CCCN2C(=O)C2CC2)[nH]c2cc(Cl)ccc21,0
+CC(NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)C(=O)NCc1ccco1,0
+Clc1c[nH]c2ncnc(Nc3ccccc3-c3nnc[nH]3)c12,1
+CC[NH+](CC)CCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2C1c1ccc(SC)cc1,0
+CC(C)CCC(=O)NNC(=O)NC(C)c1ccc(N2CC[NH+](C)CC2)c(F)c1,0
+O=C(c1ccc(F)cc1)C1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+Cc1ccc2nc(NC(=[NH2+])NC(=S)Nc3ccc(C)c(C)c3)nc(C)c2c1,0
+COc1cc(C[NH2+]C2CCCC(C)C2C)cc(Br)c1O,0
+CCOc1ccc(C(=O)N=C(NCCC2=c3ccccc3=[NH+]C2)Nc2cc(C)cc(C)c2)cc1,0
+Cc1ccc(C=NNc2nc(SCC(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)n[nH]2)o1,0
+Cc1ccc2nc(-c3ccc([NH+]=c4oc5c(C)ncc(CO)c5cc4C(N)=O)cc3)sc2c1,0
+Cl.Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(C2(N)CCC2)cc1,1
+COc1ccc(NC(=O)C(C)[NH+](C)C2CCSC2)c(N)c1,0
+CC[NH+](CC)CCC(CNc1cc[nH+]c2cc(Cl)ccc12)c1ccc(O)cc1,0
+Cc1ccccc1NC(=O)CSC(N)=[NH+]N=C1C(=O)N(Cc2ccccc2)c2ccccc21,0
+CCOc1ccccc1NC(=O)CSc1nc2n[nH]c(C)c2c(=[NH2+])n1-c1cccc(C)c1,0
+CC(C)(C)CC[NH+](Cc1ccc(C(N)=O)cc1)Cc1ccc(C(N)=O)cc1,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)c2ccc(Br)cc2)CC12CC[NH2+]CC2,0
+NC(COc1cncc(-c2nc(-c3cccnc3)cs2)c1)Cc1ccccc1,1
+Cc1cccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n12,1
+NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1ccc2ccccc2c1,1
+Cc1ccc(S(=O)(=O)NCCC2=c3cc(OC(F)(F)Cl)ccc3=[NH+]C2C)cc1C,0
+CC1CC(C)C[NH+](CC(=O)Nc2c(N)cc(Cl)cc2Cl)C1,0
+C[NH+]1CCC(CNS(=O)(=O)c2c(NN)nc3sccn23)C1,0
+O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4ccc(-c5nn[nH]n5)cc4nc3-c3ccccc3)cc2)CC1,1
+CCC(=O)Nc1ccc(C(C)NC(=O)NCC(c2cccs2)[NH+](C)C)cc1,0
+CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccccc4)c3)cc2s1,1
+CC1CC(C)CN(C(=O)C[NH+]2CCN(C(C)C(=O)Nc3sc4c(c3C(N)=O)CCC4)CC2)C1,0
+O=S(=O)(Nc1cc(-c2ccc3ncsc3c2)cnc1Cl)c1ccc(F)cc1,1
+Clc1cnc2nc(-c3ccc(CN4CC(c5nnc(-c6ccccn6)[nH]5)C4)cc3)c(-c3ccccc3)cn12,1
+CC(=O)Nc1cc(NC(=O)NC(C)C[NH+]2CCCC(C)C2)c(F)cc1F,0
+CC(C)[NH2+]C(C)(CCCCSc1ccccc1Cl)C(N)=O,0
+COCCCn1c(SCc2cc(O)oc3cc(=[NH+]C(C)=O)ccc2-3)nnc1-c1ccccc1Cl,0
+NC(=O)COc1ccc(Br)cc1C[NH2+]CCNc1ccc([N+](=O)[O-])cc1,0
+N#Cc1c(NC(=O)CC[NH3+])sc2c1CCC2,0
+C[NH+]1CCC(CNS(=O)(=O)c2cc(Br)ccc2N)CC1,0
+CCCC[NH+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1ccccc1F,0
+NC(=O)c1ccc(NC(=O)CC[NH+]2CCN(Cc3ccc(Cl)s3)CC2)cc1,0
+NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)c2ccc(-c3ccc(O)cc3)cc2)cc1,0
+CC1(C)CC(=O)C2=C(C1)N(c1cccc(Br)c1)C(N)=C(C#N)C2c1ccc([N+](=O)[O-])s1,0
+COc1ccc(Cl)cc1NC(=O)C1CC(CC(N)=O)[NH2+]C12C(=O)Nc1c(C)cc(Cl)cc12,0
+CC(C)c1ccc(CN2CCCC(O)(C[NH2+]Cc3ccc[nH]c3=O)C2=O)cc1,0
+CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC(=O)N3)CC12CC2)c1ccc(Cl)cc1,1
+CC1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+CNC(=O)NC(=O)C(C)[NH2+]CC1(c2cccc(Cl)c2)CCCC1,0
+NC1(c2ccc(-c3nc4cc(F)ccn4c3-c3ccccc3)cc2)CCC1,1
+CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C2CC2C(=O)N3)CC1)c1ccc(Cl)cc1,1
+C[NH+](C)C(CNC(=O)Nc1ccccc1SCC(N)=O)c1ccsc1,0
+CC(NC(=O)C1CN(C(=O)CCC2CCCC2)CC12CC[NH2+]CC2)C(C)(C)C,0
+NS(=O)(=O)c1ccc(CC[NH2+]C2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1,0
+Cc1cn2cc(-c3ccccc3)c(-c3ccc(CN4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)nc2n1,1
+Cc1c(Nc2c(C#N)cnc3sc(C4=CSC(C[NH+](C)C)C4)cc23)ccc2[nH]ccc12,0
+Nc1nc(NCC[NH+]2CCOCC2)nc(NCC2CCCO2)c1[N+](=O)[O-],0
+CCOc1ccc(C(=O)N2CC(C(=O)NC(C)c3ccc(Br)cc3)C3(CC[NH2+]CC3)C2)cc1,0
+O=C1C(Cl)=C(Cl)C(=O)N1c1cccc2c(N3C(=O)C(Cl)=C(Cl)C3=O)cccc12,0
+CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccc(OC)cc3)C2)C1c1cc(Cl)c(O)c(OCC)c1,0
+CC(CC[NH+](C)C)NC(=O)NCc1ccc(C(=O)NCC(N)=O)cc1,0
+Cc1ccc([NH+]=c2oc3cc(O)ccc3cc2C(N)=O)cc1C,0
+CC[NH+]1CCN(c2c(C[NH+](CCOC)CCc3ccccc3)c(C)nn2-c2ccc(F)cc2)CC1,0
+CC(C)CNC(=O)NC(=O)C(C)Sc1nnc(-c2ccc(OC(F)F)cc2)n1N,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)C2CCCN2C(=O)C(F)(F)F)CC12CC[NH2+]CC2,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12,1
+Cc1ccc(NC(=O)Cn2c(NCCO)[nH+]c3ccccc32)c(Cl)c1,0
+CC(C)Cn1c(N)c(C(=O)COC(=O)c2ccc3c(c2)NC(=O)C(C)S3)c(=O)n(C)c1=O,0
+CSc1nc2nc(-c3ccc(CN4CCC(c5n[nH]c(-c6ncccn6)n5)CC4)cc3)c(-c3ccccc3)cn2n1,1
+NC(=O)C1CCN(C(=O)CNC(=O)N2CCC3=c4cc(Cl)ccc4=[NH+]C3C2)CC1,0
+Cc1ccc2c(c1)=C(c1ccccc1)C(C1=NN(C(=O)C(C)C)C(c3ccccc3C)C1)C(=O)[NH+]=2,0
+CN1C(=O)NC(c2cccc(Cl)c2Cl)C2=C1CN(CCC(=O)N1CCN(C3CCCC3)CC1)C2=O,0
+OC(COc1ccccc1C[NH2+]C1(c2ccccc2)CC1)C[NH+]1CCSCC1,0
+Cc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)NCC(c2ccc(F)cc2)[NH+](C)C)cc1,0
+CC(C)(C)[NH2+]CCC(=O)Nc1ccc(S(N)(=O)=O)cc1Br,0
+Cc1cccc(NC(c2ccccc2F)c2cc(C)sc2NC(=O)c2ccccc2)[nH+]1,0
+Nc1ccc[nH+]c1N1CCN(C(=O)c2ccc(Br)o2)CC1,0
+Cc1c(S(N)(=O)=O)cc2c(c1C)OC(C)(CCCC(C)C)CC2,1
+COc1ccc(N(CCC(N)=O)C(=O)CSc2nnc(Nc3cccc(Cl)c3C)s2)cc1,0
+C[NH+](C)Cc1cc(C2Nc3ccccc3S2)ccc1OCC(=O)NCc1nc2ccccc2[nH]1,0
+CC(c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC(=O)Nc1ccccc1Sc1ccccc1,0
+CC(C)C(NC(=O)COc1ccccc1)C(=O)NCC(C1=c2ccccc2=[NH+]C1)c1ccccc1Cl,0
+COc1cc2ncc3c(N)nc(-c4cncc(OCC(N)Cc5ccncc5)c4)cc3c2cc1OC,1
+Nc1cc(S(=O)(=O)Nc2ccccc2I)ccc1O,0
+COc1ccc(C(CNC(=O)CSc2nnc3cc(C)c4ccccc4n23)[NH+]2CCCCC2)cc1,0
+CC(C)[NH2+]C(C(N)=O)c1cc(Br)c2c(c1)OCO2,0
+COc1ccc(C2C3=C(CC(c4cc(OC)c(OC)c(OC)c4)CC3=O)Nc3ncnn32)c(OC)c1,0
+[NH3+]Cc1ccc(S(=O)(=O)NCc2ccc(Br)cc2)s1,0
+[NH-]C1=NC(=O)C2=NCN(C3OC(COP(=O)([O-])[O-])C(O)C3O)C2=N1,0
+CC([NH3+])C(c1cc(Br)cs1)N1CCCCC1CCO,0
+FC1(F)CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)C1,1
+COC(=O)CCc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1,1
+CCOC(=O)c1c(NC(=O)C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)sc2c1CCC(C)C2,0
+CC(C)(C)c1nc(C[NH2+]CC(=O)Nc2ccc(F)c(F)c2)cs1,0
+O=[N+]([O-])c1ccc(NCC[NH2+]Cc2ccc(OCc3ccc(Cl)cc3)cc2)c(Cl)c1,0
+CC(C)CC(NC(N)=O)C(=O)OCC(=O)C1=c2ccccc2=[NH+]C1c1ccccc1,0
+Cc1ccsc1C(=O)N1CC(C(=O)NCCC[NH+](C)C)C2(CC[NH2+]CC2)C1,0
+CC1=C(C(=O)NCCC2=c3ccccc3=[NH+]C2)C(Cl)N(c2ccccc2)N1,0
+O=C(Cn1c(N2CC[NH+](CC(=O)N3CCCC3)CC2)nc2sc3c(c2c1=O)CCCC3)N1CCCCC1,0
+CC(C)C(NS(=O)(=O)C=Cc1ccccc1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1,0
+CCCCSC1(SCCCC)[NH+]=C(N)C2(C#N)C(c3ccccc3)[NH2+]C(C)=C(C)C12C#N,0
+CCOC(=O)c1c(NC(=O)C[NH+](C)Cc2ccccc2)sc2c1CC(C)(C)[NH2+]C2(C)C,0
+CC1CC(C)C[NH+](CCCCNC(=O)NCc2ccc[nH+]c2N(C)C)C1,0
+O=C(NCCc1cn2c([nH+]1)CCCC2)NCC1(O)CCCc2ccccc21,0
+O=C(N=C1SC2CS(=O)(=O)CC2N1c1ccc(F)c(Cl)c1)C1CCCCC1,0
+CC([NH2+]CCCS(N)(=O)=O)c1cc2cc(Br)ccc2o1,0
+COc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O,0
+COc1cccc(CCNC(=O)C2C[NH2+]CC2C(=O)NC2CCCc3ccccc32)c1,0
+O=C([O-])Cc1ccccc1NS(=O)(=O)N1CCCCCC1,0
+CCCc1ccc(C(C)[NH+](CC(N)=O)CC(=O)Nc2cccc(C#N)c2)cc1,0
+Cc1c(C(N)=O)sc(NC(=O)C[NH+]2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1C(=O)OC(C)C,0
+CC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(S(C)(=O)=O)cc1,1
+Nc1cc2[nH]nc(Cl)c2cc1-c1cncc(OCC(N)Cc2c[nH]c3ccccc23)c1,1
+NS(=O)(=O)c1cccc(NC(C(=O)C2=c3ccccc3=[NH+]C2)c2ccccc2)c1,0
+Cc1cccc(N2CCN(C(=O)CCC(=O)Nc3ccc4[nH+]c(N5CCCCC5)cc(C)c4c3)CC2C)c1,0
+CC[NH+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2cc(C)ccc2OC)C1,0
+CC([NH3+])C(c1ccc(Br)cc1)N1CCNC(=O)CC1,0
+COc1cc(C2c3[nH]c4ccccc4c3CC3C(=O)N(CC4CCCO4)CC(=O)N32)cc(OC)c1OC,0
+O=C(CN1C(=O)NC(CC2=c3ccccc3=[NH+]C2)C1=O)NC(=O)Nc1ccc2c(c1)OCCO2,0
+Cc1cc[nH+]c(NC(c2ccccc2F)c2cc(C)sc2NC(=O)c2ccccc2)c1,0
+Nc1ccc(S(=O)(=O)NCC[NH+]2CCCC2)cc1[N+](=O)[O-],0
+NC1(c2ccc(-c3nc4c(-c5cn[nH]c5)cccn4c3-c3ccccc3)cc2)CCC1,1
+O=C(CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)NC(=O)Nc1ccccc1F,0
+CCCCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[NH+](CC)C3)cc1,0
+CC(NC(=O)NC1CCCCC1C)C(=O)[O-],0
+COc1ccc(C=CC(=O)NC(C)C(=O)NC(C)c2ccc(S(N)(=O)=O)cc2)cc1,0
+Cc1ccc(NC(=S)N(Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)c(C)c1,0
+CNc1ncnc(N2CCC(c3nc(-c4ccnc(C(F)(F)F)c4)cn3CCN3CCC3)CC2)c1Cl,1
+Cc1ccc(C(C)Nc2[nH+]c(C)cc(C)c2C(N)=S)cc1,0
+COc1cc(C[NH3+])cc(Br)c1OCc1sccc1Br,0
+Cc1cc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(C(C)C)cc1Br,0
+CNC(=O)NC(=O)C[NH+](CC(=O)Nc1c(C)cccc1C)CC(=O)Nc1c(C)cccc1C,0
+CC1CC(=NNc2ccc(S(N)(=O)=O)cn2)CC(C)(C)C1,0
+CCc1ncc(OCC(N)Cc2c[nH]c3ccccc23)cc1-c1ccc2cnccc2c1,1
+Cc1ccccc1S(=O)(=O)NCC(O)CN1CCCC2(CCN(c3ncnc(N)c3C3CC3)C2)C1,1
+CCCC(NC(=O)c1cc(OC)cc(OC)c1)C(=O)NC1[NH+]=c2ccccc2=[NH+]1,0
+CCN(C(=O)c1cccc(NC(=O)CNc2cccc(C(=O)NC(C)(C)C)c2)c1)c1ccccc1,0
+O=C(Nc1ccc(Cl)cc1)C(C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2C(F)(F)F)CC1,0
+C[NH+](Cc1csc(Br)c1)Cc1ccccc1C(N)=[NH2+],0
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CNCCC(N)=O)cc3)nc2n1,1
+CC(Oc1ccc(F)cc1)C(=O)NNC(=O)NCc1ccc[nH+]c1N(C)C,0
+Cc1ccc(NC(=O)NC(=O)C(C)[NH+](C)CC(=O)Nc2c(C)cccc2C)c(C)c1,0
+CC[NH+](CC)CCNC(=O)C(NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(C)C,0
+Cc1ccc(-n2ncc3c([O-])nc(SCC(=O)Nc4nc5ccccc5s4)nc32)cc1C,0
+[H]N=c1c(C#N)c(C)nc2n1NC(=[NH2+])C2=NNc1ccc(C)cc1,0
+Cc1ccc(N2C(=O)CC([NH+]3CCC(C(N)=O)([NH+]4CCCCC4)CC3)C2=O)cc1Cl,0
+C=CC[NH2+]CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(OC)cc1OC)CCC2,0
+Cc1cc(C(=O)Nc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)no1,1
+Cc1ccc(COc2ccc(C[NH2+]C3CCCN(CC(N)=O)C3)cc2)cc1,0
+C[NH+]1CCC(CNc2ccc(C(N)=S)c(C(F)(F)F)c2)C1,0
+C=CCOc1ccc(C[NH+](C)CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1,0
+CC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1,1
+CCC(C)C(NC(=O)c1ccc(F)c(F)c1)C(=O)NC1[NH+]=c2ccccc2=[NH+]1,0
+Cc1nn2c(=O)cc(C[NH+]3CCN(Cc4ccc(Cl)s4)CC3)nc2s1,0
+O=C(NO)C1CC(CC(=O)N2CCCC2)C[NH2+]C1C(=O)N1CC=C(c2ccccc2)CC1,0
+CCC[NH2+]C(C)(CCCSc1cccc(Br)c1)C(N)=O,0
+COc1cc(N)ccc1NC(=O)C(C)[NH+]1CCCSCC1,0
+CN1c2ccc(NC(=O)C(=O)NCCC3=c4cc(F)ccc4=[NH+]C3)cc2NC1C(F)(F)F,0
+NC(=O)NCC(=O)NCC(C1=c2ccccc2=[NH+]C1)c1ccccc1Cl,0
+CCCC[NH+](CCCC)CCCN1CC(=O)N2C(Cc3c([nH]c4ccccc34)C2c2ccccc2)C1=O,0
+CC(=O)[NH+]=c1ccc2c(CSc3nnc(-c4ccccc4Cl)n3C3CCCC3)cc(O)oc-2c1,0
+CC(C)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2Br)cc1,0
+O=C(CC1CCCCC1)NNC(=O)NCc1cn2c([nH+]1)CCCC2,0
+CC1SCc2ncnc(N3CCN(C(=O)C(N)Cc4c[nH]c5ccccc45)CC3)c21,1
+CC(C)CC[NH+]1CCC2(CC1)c1ccccc1C(NC(=O)COc1ccccc1)C2O,0
+Cc1ccc2oc3c(c(=O)c2c1)C(c1ccc(C(C)C)cc1)N(C1CCS(=O)(=O)C1)C3=O,0
+O=C(Cn1cnc2ccsc2c1=O)NC(=O)NCc1ccco1,0
+COc1ccc(CCNC(=[NH2+])NCC2CCC[NH+](Cc3cccs3)C2)cc1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cccc(C2CC2)c1,1
+CC([NH3+])c1cc(Br)ccc1OC1CCCCC1O,0
+COc1cccc2c1=CC(C(=O)NCCC(=O)NC1Nc3ccccc3S1)[NH+]=2,0
+CCc1ccc(CCNC(=O)C2CN(C(=O)c3cc(C)oc3C(F)(F)F)CC23CC[NH2+]CC3)cc1,0
+COC(=O)c1ccc(C=NNc2nc(SCC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)n[nH]2)cc1,0
+CCOC(=O)c1ccc(NC(=S)NCc2ccc(N3CC[NH+](C)CC3)[nH+]c2)cc1,0
+CC1OC2OC(=O)OC2C2=C1C(=O)c1c(O)cccc1C2=O,1
+OCC[NH+](CCO)CC(O)Cn1c2c(c3cccc(Cl)c31)CCCC2,0
+COc1cccc(Nc2c(N)c[nH+]c3ccc(Br)cc23)c1,0
+Cc1ccc(NC(=O)c2sc3ncn(C)c(=O)c3c2C)c(O)c1,0
+N#CC(=Cc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,0
+[NH2+]=C(SC1CC(=O)N(c2cccc(Cl)c2)C1=O)N1N=C(c2ccccc2)CC1c1ccccc1,0
+O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)[nH+]c1,0
+CCC(NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1,0
+NC(=O)CC1CC[NH+](CC(O)COc2cc(Cl)ccc2Cl)CC1,0
+NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2nc[nH]c3nccc2-3)CC1,1
+Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)c1ccc(CNc2ccccc2)o1,0
+CCN(c1nc[nH+]c(Nc2cccc(Cl)c2Cl)c1N)c1cccc2ccccc12,0
+CCc1n[nH]c2ccc(-c3nnc(NCC(N)Cc4ccccc4)s3)cc12,1
+COc1ccc(NCC(=O)NNC(=S)NC2CC3CCC2C3)cc1,0
+COCC1CCC[NH+]1C1C(CNC(=O)Nc2ccsc2)OC(CO)C1O,0
+CC1CCC[NH+](CC(C)NC(=O)C(=O)Nc2cc(Cl)ccc2F)C1,0
+CN(Cc1cccc(Br)c1)c1cc(C(N)=NO)cc[nH+]1,0
+CCCC(C)([NH3+])C(=O)Nc1c(Br)cc(Br)cc1Br,0
+Cn1c(=O)c2c(ncn2CC[NH2+]CC(O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n(C)c1=O,0
+CCOc1ccc(C(=O)N2CC(C(=O)NCCc3cc(C)ccc3C)C3(CC[NH2+]CC3)C2)cc1,0
+Cc1ccc(NC(=O)C[NH+]2CCN(c3nc4sc5c(c4c(=O)n3CC(C)C)CCCC5)CC2)cc1,0
+Cc1cccc(NC(=O)c2cc3cc(C)ccc3oc2=[NH+]c2ccc(S(N)(=O)=O)cc2)c1,0
+C=Cc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+COc1ccc2c(c1)=C1CCNC(c3ccc(OC)c(COc4ccccc4C4CCCCC4)c3)C1[NH+]=2,0
+CCOc1ccccc1C1C2[NH+]=c3ccccc3=C2CC2C(=O)N(Cc3ccc(OC)cc3)CC(=O)N21,0
+COc1ccc2c(c1)=C1CCN(C(=O)Nc3ccc(Br)cc3)C(c3ccc(F)cc3)C1[NH+]=2,0
+Cc1cc(Br)c(NCC(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)c(Br)c1,0
+COc1cccc(C2CSCC(C(=O)NC(C)c3ccccc3)[NH2+]2)c1,0
+Cc1ccccc1NC(=O)C[NH+]1CCN(c2nc3sc(C)c(C)c3c(=O)n2CC(=O)N2CCCC2)CC1,0
+CSC1=CC2C[NH+]3NP(=O)(c4ccccc4O)OCC3CC2C=C1c1ccccc1O,0
+CN1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ncccn7)[nH]6)CC5)cc4)nc3n2)CC1,1
+CC(NC(=O)OC(C)(C)C)C1CCCC[NH+]1CC(=O)NC(=O)NCc1cccs1,0
+Cc1nc(N)c2c(C)c(C)n(CC[NH+](C)C)c2n1,0
+CN(C)CCOc1cc(-c2cn[nH]c2)ccc1NC(=O)C1COc2ccccc2O1,1
+CC(C)CC(C)NC(=O)C1C[NH2+]CC1C(=O)NC(C)CCc1ccccc1,0
+NC(COc1cncc(-c2ccncc2)c1)Cc1c[nH]c2ccccc12,1
+CC(C)(C)c1nnc(SCCC(=O)Nc2c(Cl)cccc2Cl)n1-c1ccccc1,0
+Cc1ccc(CNC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)s1,0
+N#Cc1c(CCCCC[NH2+]C2CCN(Cc3ccccc3)CC2)n[nH]c1N,0
+CCOc1cc(C2C(C(=O)OC3CCCCC3)=C(C)Nc3ncnn32)ccc1OCc1cc(C)c(C)cc1C,0
+CCOC1C(NC(=O)c2ccco2)c2ccccc2C12CC[NH+](Cc1coc3ccccc3c1=O)CC2,0
+Cc1nc(-c2ccccc2Br)cc(C2C[NH+]3CCC2CC3CNC(=O)c2ccc(C(C)(C)C)cc2)n1,0
+O=C(C=Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1)OCc1nc2sc3c(c2c(=O)[nH]1)CCCC3,0
+CN(C)c1ccc(Nc2cc3nc4ccc(N(C)C)cc4[n+](-c4ccccc4)c3cc2Nc2ccccc2)cc1,0
+COc1ccc(CN(C(=O)NCc2ccccc2OC)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1,0
+CC(C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1CC[NH+](Cc2ccccc2F)CC1,0
+NS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(O)c(Br)c2)cc1,0
+Cc1ccc2ccc(C(Nc3cccc[nH+]3)c3ccccc3Cl)c(O)c2n1,0
+CCOC(=O)c1ccc(NC(=O)Nc2ccc(C3NC(=O)N(CC)C(C)=C3C(=O)OCCOC)cc2)cc1,0
+CC(=O)NC1Nc2ccc(C(=O)NCCC3=c4cc(Cl)ccc4=[NH+]C3)cc2S1,0
+O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4cc(-c5nn[nH]n5)ccc4nc3-c3ccccc3)cc2)CC1,1
+CCC([NH2+]Cc1cccc(Br)c1O)c1ccc(OC)cc1,0
+O=C(c1ccc2nc(-n3cccc3)sc2c1)N1CCc2[nH]cnc2C1,0
+Nc1ncccc1-c1nc2ccc(-c3cccnc3)nc2n1-c1ccc(CC(=O)Nc2ccccc2)cc1,1
+Cc1c(NC(=O)C(=O)NC(C)CCc2ccccc2)cccc1C(N)=O,0
+O=C(NCCC1=c2ccccc2=[NH+]C1)C(=O)NC1Nc2ccccc2S1,0
+COC(=O)c1cc(Br)cc(Br)c1NC(=O)C1CC(O)C[NH2+]1,0
+CCOC(=O)C1=C(C)N(C)C(=S)NC1c1cccc(NC(=O)Nc2cccc(C)c2C)c1,0
+O=C([O-])C1OCCOCCOC(C(=O)[O-])C(C(=O)[O-])OCCOCCOC1C(=O)[O-],0
+NC(=O)C1CCC[NH+]1Cc1ccccc1NC(=O)CC1C=CCC1,0
+CCCC[NH+](C)Cc1c(O)ccc2c(=O)c(Oc3cc(C)c(Cl)c(C)c3)c(C(F)(F)F)oc12,0
+Cc1ccc(S(=O)(=O)N(Cc2c(-c3ccc(F)cc3)noc2N2CC[NH+](C)CC2)CC2CCCO2)cc1,0
+CCc1c(C)sc2nc(N3CC[NH+](CC(=O)Nc4ccccc4OC)CC3)n(CC(C)C)c(=O)c12,0
+NC(=O)COc1ccc(Br)cc1C[NH2+]CC1CCCO1,0
+O=S(=O)(NCC1OC(CO)C(O)C1N1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1,0
+CC1Cc2c(Br)cccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)n1C,1
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4cccc(Cl)c4)c3)cc12,1
+NC(=O)c1c(NC(=O)C[NH+](Cc2cccs2)CC2CCCO2)sc2c1CCCC2,0
+CCOc1cc(C[NH2+]CC2CCCN2CC)cc(Br)c1OCc1ccc(Cl)c(Cl)c1,0
+O=C(c1cccnc1Oc1ccc(Cl)cc1)N1CCC(CCCC2CC[NH+](CCO)CC2)CC1,0
+Cc1cccc(NC(=O)NC2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)c1,1
+Nc1ncnc(N2CCC3(CCCN(CC(O)CNS(=O)(=O)c4ccccc4Br)C3)C2)c1C1CC1,1
+CC(C(=O)NC(=O)NCc1ccccc1)[NH+](C)CC(=O)Nc1c(Cl)cccc1Cl,0
+O=S(=O)(N=C1[NH+]=c2ccccc2=[NH+]C1Nc1ccc(Cl)c(Cl)c1)c1cccc(Cl)c1,0
+O=C(Cc1nc(N2CCOC(CO)C2)cc(=O)[nH]1)N1CCc2c(Cl)cccc21,1
+Nc1ccc(Cl)cc1S(=O)(=O)NC1CC[NH+]2CCCC12,0
+NC(COc1cc(-c2ccc3cnccc3c2)cnc1Cl)Cc1c[nH]c2ccccc12,1
+CC[NH2+]CCC[NH2+]C(C)(C(=O)[O-])c1ccc(F)c(Br)c1,0
+CC1CC[NH+](C(CNC(=O)N=c2[nH]c3ccccc3[nH]2)c2cccs2)CC1,0
+CC(=O)N1CCC(C(=O)N2CCCC(C)C2)CC1,0
+COc1ccc(C(=O)N2CCC3(CC2)CC(=O)c2ccc(OC)cc2O3)cc1,0
+[NH3+]Cc1ccc(Br)cc1N1CCCC1CCCO,0
+CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)C(=NNC(N)=[NH2+])CC(C)(C)C4)ccc21,0
+COC(=O)C1Cc2c([nH]c3ccccc23)C2CC([NH2+]Cc3cccs3)CC(c3ccc(F)cc3)N12,0
+Cc1ccc(C(CNBr)N2CC[NH2+]C(O)C2)cc1,0
+COc1cc(C(C)[NH2+]C(C)c2ccccc2Br)ccc1O,0
+NC(CNc1nnc(-c2ccc3cnccc3c2)s1)Cc1ccc(C(F)(F)F)cc1,1
+CC(C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(C(O)c2ccc(Cl)cc2)CC1,0
+CCCCNC(=O)NC1(C(=O)NCC(C)(C)C[NH+](C)C)CCCCC1,0
+CC(Sc1nc(-c2ccc(Br)cc2)c[nH]1)C(=O)NC(N)=O,0
+O=C(Nc1ccccc1C(F)(F)F)N1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2)CC1,0
+NC(=O)c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2n1,1
+Nc1nc(CSc2nnc(C[NH+]3CCCCC3)n2-c2ccc(F)cc2)nc(Nc2ccccc2)n1,0
+Cc1ccc(C(=O)N2CC(C(=O)NC(C)CCCC(C)(C)O)C3(CC[NH2+]CC3)C2)cc1C,0
+CCc1ccccc1NC(=S)N(CC[NH+](C)C)Cc1cc2cc(C)c(C)cc2[nH]c1=O,0
+Cc1n[nH]c2cnc(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12,1
+Cc1c(Cl)cccc1NC(=O)C(C)[NH+](C)CC(=O)Nc1ccccc1Cl,0
+CC(C(=O)Nc1sc2c(c1C(N)=O)CCC2)[NH+]1CCN(S(=O)(=O)Cc2ccccc2)CC1,0
+CC(C)C(C(=O)NCCC1=c2ccccc2=[NH+]C1)N1NNc2ccccc2C1=O,0
+Cc1ccc(C(C)NC(=O)CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1,0
+CCc1c[nH]c2ncnc(N3CCC(N)(CNC(=O)c4ccc(F)cc4)C3)c12,1
+Fc1ccc(NC(=S)Nc2ccc3c(c2)OCCO3)cc1F,0
+NC(=O)C([NH2+]C1CCCCC1)c1c(Cl)cccc1Cl,0
+CCOc1cc(C=NNC(=O)CNc2ccc3ccccc3c2)ccc1OC(=O)c1ccccc1Cl,0
+CNC(=O)CN1CCC([NH2+]Cc2cccc(Br)c2O)CC1,0
+CC1CN(CCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC(C)O1,0
+NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cccc(Cl)c3-4)cc2)CC(O)(C2CC2)C1,1
+CN(C)CCN1CCN(c2ccc3nc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ncccn7)[nH]6)CC5)cc4)nc3n2)CC1,1
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)CCCc2ccccc2)CC12CC[NH2+]CC2,0
+Cc1ccc(C(C[NH+]2Cc3ccccc3CC2C(=O)NC(C)(C)C)=NO)cc1,0
+CCc1ccc(N(CC(=O)Nc2ccccc2SC)S(=O)(=O)c2ccc(C)cc2)cc1,0
+CCC1=CC(C(=O)NCc2c(C)ncc3c2CCN(C(=O)CCC2=c4ccccc4=[NH+]C2)C3)NO1,0
+Nc1nc(C[NH+]2CCN(c3ccc(F)cc3)CC2)nc(Nc2cccc(C(F)(F)F)c2)n1,0
+NC1(c2ccc(-c3nc4c5cc(-c6ccc(S(N)(=O)=O)cc6)ccc5nn4cc3-c3ccccc3)cc2)CCC1,1
+O=C(OCC(=O)N1CCN(c2ncccn2)CC1)C1CC(O)CN1C(=O)C12CC3CC(CC(C3)C1)C2,0
+CC(C[NH+]1CCCCC1)NS(=O)(=O)c1cc(Br)cnc1N,0
+CC1(C)C(=O)C(=O)c2cnn(-c3ccccc3)c2C1Br,0
+C[NH+](C)C(CNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1Cl,0
+NS(=O)(=O)c1nnc(NS(=O)(=O)c2cccc3cccnc23)s1,1
+[NH3+]C1CCN(CC(=O)NC(=O)NC2CC2)CC1,0
+CCOc1ccc(C(O)(c2ccc(OC)cc2)C(C[NH+]2CCCCCC2)Oc2ccc(Cl)cc2C)cc1,0
+CC(O)c1ccc(-c2ccc(C[NH2+]CCc3ccc(S(N)(=O)=O)cc3)o2)cc1,0
+Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl,1
+CC(CCCSc1ccc(Br)cc1)([NH2+]C1CC1)C(N)=O,0
+Cc1c[nH]c2ncnc(N3CCC(N)(CNC=O)C3)c12,1
+Cc1ccc(N2C(=O)NC(=O)C(=CNC3CCCC3)C2=O)c(C)c1,0
+O=C1NN=Cc2c[nH]c3cc(NC(=O)C4CC4c4ccccc4)cc1c23,1
+Cc1cccc2c1OCn1c-2nc(-c2ccc(C3(N)CC(O)(C4CC4)C3)cc2)c1-c1ccccc1,1
+O=S(=O)(CC1CC[NH2+]CC1)[NH+]=c1cccc2[n-]cccc1-2,0
+N#CC(=CC1C(=O)N2C=CC=CC2=NC1N(Cc1ccccc1)Cc1ccccc1)C1[NH+]=c2ccccc2=[NH+]1,0
+NC(COc1cnc(C#Cc2ccccc2)c(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,1
+O=C(C[NH2+]CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1,0
+CCOc1cccc2c1CCN2C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+COc1ccc(C2=NN(C(=O)C[NH+]3CCC4(CC3)OCCO4)C(c3cc(OC)ccc3OC)C2)c(OC)c1,0
+COc1ccc(C)cc1S(=O)(=O)Nc1ccc(Nc2cc(C)[nH+]c(NC3CCCCC3)n2)cc1,0
+CCCn1c(N)c(C(=O)CSc2nnc(C(C)[NH+](C)C)n2-c2ccc(F)cc2)c(=O)[nH]c1=O,0
+O=S(=O)(Oc1ccccc1)C1CN(c2ccc(Br)cc2Cc2ccccc2)CC[NH2+]1,0
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(c5cc(-c6ccncc6)[nH]n5)CC4)cc3)nc2n1,1
+O=C(Cn1c2ccccc2c2ccccc21)NNC1=c2cc(Br)ccc2=[NH+]C1=O,0
+[NH3+]C1CCCCCC1NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl,0
+N#Cc1cc(C(NC(=O)c2ccc3cnccc3c2)C2CCNCC2)ccc1Cl,1
+COc1ccc(NC(=O)C(=O)NNC2=c3cc(Br)ccc3=[NH+]C2=O)cc1,0
+CC(CCSc1cccc(Br)c1)([NH2+]C1CC1)C(N)=O,0
+Nc1cccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)c1,1
+CCOc1cc(C[NH2+]CC2CCCN2CC)cc(Cl)c1OCc1ccc(F)cc1Cl,0
+CC(C)(C)CC(C)(C)NC(=O)C(c1ccc(Cl)cc1)N(C(=O)c1ccco1)C(C)(C)C,0
+NC1(C(=O)NC(CO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,1
+CCOC(=O)C1(CO)[NH2+]C(c2ccccc2C)C2C(=O)N(C)C(=O)C21,0
+COc1ccc(C2C3=C(N=[NH+]C3c3ccc(Br)cc3)C(=O)N2c2ccc(C)cc2)cc1OC,0
+O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)C1CCC1,1
+NC(COc1cncc(-c2ccc3cnccc3c2)c1)CC1CCCCC1,1
+Cc1ccc(NCc2nnc(SCC(=O)NN=Cc3c(O)ccc4ccccc34)n2-c2ccccc2)cc1,0
+[NH2+]=C1Nc2nc3ccccc3n2C(c2ccccc2C(F)(F)F)N1,0
+CC(C)C(Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1)C(=O)NC(N)=O,0
+CCN(CCO)c1nc[nH+]c(N(CC)c2cccc3ccccc23)c1N,0
+C=C(C)Cn1c(N2CC[NH+](CC(=O)Nc3cccc4ccccc34)CC2)nc2sc(C)c(CC)c2c1=O,0
+CC1Cc2c(ccc(F)c2F)N1C(=O)Cc1nc(N2CCOCC2)cc(=O)n1C,1
+C[NH+](CCCNC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)Cc1ccccc1,0
+CC[NH+](CC)CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1nc2ccc(C)cc2s1,0
+NCC(NC(=O)c1cc(-c2c[nH]c3ncccc23)cs1)c1ccccc1,1
+CC1CC(C)C[NH+](CCCCNC(=O)NCc2ccc(S(N)(=O)=O)cc2)C1,0
+C[NH+](C)CCN(C(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)s1)c1nc2ccccc2s1,0
+CCC(N)C(c1ccc(Br)s1)[NH+](CC)C(C)COC,0
+NC(=O)c1c(NC(=O)C[NH+]2CCc3ccccc3C2)sc2c1CCC2,0
+NC(=O)c1c(NC(=O)C[NH+]2CCN(S(=O)(=O)C=Cc3ccccc3)CC2)sc2c1CCC2,0
+CCN(CC)CCNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccc(CN4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)nc2c1,1
+O=c1[nH]nc(CCNc2nc(-c3ccccc3)nc3c2CC[NH2+]C3)[nH]1,0
+NC1(c2ccc(-c3nc4c5cc(-c6cn[nH]c6)ccc5nn4cc3-c3ccccc3)cc2)CCC1,1
+Cc1nc(-c2nc(C)c(C(=O)NN(C)C)s2)sc1C(=O)NN(C)C,0
+CC(C)C[NH+](Cc1c(O)ccc2c1OC(=Cc1ccccc1OC(F)F)C2=O)CC(C)C,0
+CC1CCc2sc(C(=O)NNC(=O)COc3cccc(C(N)=O)c3)cc2C1,0
+O=S(=O)([N-]CC(c1ccc(-c2ccccc2)cc1)[NH+]1CC[NH2+]C(c2ccccc2O)C1)Oc1ccccc1,0
+CCN(c1cccc(C)c1)c1nc[nH+]c(Nc2ccccc2OC)c1N,0
+O=C(COc1ccc2c(c1)C(=O)N1CCCCCC1N2)NCCC1=c2cc(Cl)ccc2=[NH+]C1,0
+CC1CC(C)C[NH+](CC(C)NC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)C1,0
+Cc1cccc(C)c1NC(=O)C[NH+](C)C(C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F,0
+NC(COc1cnc2ccc(-c3cccnc3)cc2c1)Cc1c[nH]c2ccccc12,1
+CCC([NH3+])C(c1ccc(Cl)s1)N1CCCCC1CO,0
+Nc1cc(Br)c(S(=O)(=O)NCCC[NH+]2CCCC2)c(Br)c1,0
+CC1CCC[NH+](CC(C)NC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1,0
+CC(C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[NH+]1CCN(c2ccc(O)cc2)CC1,0
+CCC(=O)Nc1ccc(C(O)C[NH+]2CCC3(CC2)CC(O)c2cc(F)ccc2O3)cc1,0
+COc1ccc(-c2cc(C3C[NH+]4CCC3CC4COC(=O)Nc3ccc(C(C)C)cc3)n(C)n2)cc1,0
+Cc1ccccc1C(=O)N1CC(C(=O)NC(C)CCCC(C)(C)O)C2(CC[NH2+]CC2)C1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1ccc(F)cc1F,1
+Nc1ncccc1-c1nc2ccc(Sc3ccccc3)nc2n1-c1ccc(C2(N)CCC2)cc1,1
+CC1(C)CC(NC(=O)C=CC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)[NH2+]1,0
+CN(C)C(=O)c1c(-c2ccc3[nH]ncc3c2)nnn1Cc1ccccc1,1
+CCC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)NC(C)CC[NH+](C)C)c1,0
+CC(C)N(CCCO)c1cc(Br)ccc1C[NH3+],0
+Nc1ccc(-c2nnc(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)[nH]2)cn1,1
+COc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+CCCC1(C(=O)Nc2ccc(I)cc2Cl)CC[NH2+]CC1,0
+Cc1sc2nc(CC[NH3+])nc(NC(C)c3ccc(S(C)(=O)=O)cc3)c2c1C,0
+Cc1cc(C)c(NC(=S)NN=C2C(=O)N(Cc3ccccc3C)c3ccc(Br)cc32)c(C)c1,0
+CNC(=O)C1CCC[NH+]1C(c1ccc(Br)s1)C(C)N,0
+CCCC(C(=O)NCC[NH+](C)C)n1c(-c2cccc(Cl)c2)cc(C(N)=O)c1C,0
+NC(=S)c1cc2ccc(O)cc2oc1=[NH+]c1ccc(Cl)cc1,0
+CC1CCc2c(sc3nc(C4CC4)n4c(SCC(=O)NNC(=O)C5CCCCC5)nnc4c23)C1,0
+CCC(C(=O)Oc1ccc(-c2[nH+]c3ccccn3c2NC(C)(C)CC(C)(C)C)cc1OC)c1ccccc1,0
+COc1ccc(C=NOCC(=O)NN=C2C(=O)N(C[NH+]3CCCC3)c3ccc(Br)cc32)cc1,0
+CC(NC(=O)C([NH3+])CCS(C)(=O)=O)c1nnc2n1CCC2,0
+Cc1nn(-c2ccccc2)c(C)c1C(=O)N(C)C,0
+CCOC(=O)c1ccc(NC(=O)Nc2ccc(C(=O)NCC[NH+](CC)CC)cc2)cc1,0
+CC(C(=O)NC(N)=O)N1CC[NH+](CC(=O)N2CCCCC2C)CC1,0
+Nc1cc(Cl)c(F)c(S(=O)(=O)NC2C[NH+]3CCC2CC3)c1,0
+CC[NH+](CC)C(CNC(=O)NCC(O)c1ccc(F)c(F)c1)c1ccsc1,0
+CC(N)C(c1cc(Br)cs1)[NH+](CCO)C1CCCCC1,0
+O=C(Nc1sc2c(c1C(Nc1cccc[nH+]1)c1ccc3c(c1)OCO3)CCCC2)c1ccco1,0
+CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=S)N1CCN(c2cccc[nH+]2)CC1,0
+C[NH+](C)C(CNC(=O)C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2)c1cccs1,0
+CC1CCCC([NH+](C)CC(=O)Nc2ccc(N)cc2Cl)C1,0
+COC(=O)c1ccc(C=Nn2c(N)c(C(=O)NCCc3ccccc3)c3nc4ccccc4nc32)cc1,0
+Cc1cc(C)cc(NC(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)[nH+]3)cc2)c1,0
+Cc1cc(C)cc(OCC[NH+](C)C(C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)c1,0
+Cc1cc(OCC(N)=O)ccc1NC(=O)NCCCC[NH+]1CC(C)CC(C)C1,0
+CC1CCC2(CC1)NC(=O)N(NC(=O)C[NH+](C)CC(=O)Nc1ccccc1Br)C2=O,0
+Cc1cc(C)c(CNC(=O)NCC(O)C[NH+]2CCC(C)CC2)c(C)c1,0
+[C-]#[N+]c1ccc(C(=O)Nc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)cc1,1
+CCc1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(=O)cc(C)n1CC[NH+]1CCCCC1,0
+O=C(CC1N=NC(=O)C2C=C(c3ccc(F)cc3)NN12)NC1CCCC1,0
+CN(C)CC(Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3[nH]ccc23)CC1,1
+O=C(C[NH+]1CCN(C(=O)NC2CCc3ccccc32)CC1)Nc1ccccc1C(F)(F)F,0
+O=C([O-])c1cc(S(=O)(=O)Oc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])ccc1F,0
+CC1CCC[NH+](CCCNC(=O)NNC(=O)CC2CCCCC2)C1,0
+O=C(CCC1CCCCC1)NNC(=O)NC1CC[NH+]2CCCCC12,0
+Cc1nc2nc(-c3ccc(CN4CCC(c5n[nH]c(-c6ccccn6)n5)CC4)cc3)c(-c3cc(F)ccc3F)cn2n1,1
+CC(CC(N)=NO)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl,0
+Cc1ccc(NC(=O)NCC(O)C[NH+]2CCC(C)CC2)c(Br)c1,0
+CC[NH+](CC)CCNC(=O)Nc1cc(C(=O)NCC(F)(F)F)cc(F)c1C,0
+Cc1cc(C)c(NC(=O)CNC(=O)NCC(c2cccs2)[NH+]2CCCC2)c(C)c1,0
+CCC(=O)Nc1ccc(NC(=O)NCC(C)[NH+]2CCC(C)CC2)cc1C,0
+CC[NH+](CC)CCOc1ccccc1CNC(=O)NNC(N)=O,0
+C[NH+](CC(N)=O)Cc1nc(N)c2ccsc2n1,0
+CC(Oc1ccc(C(C)C)cc1)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)C2c1ccc(C(C)C)cc1,0
+CCc1ccccc1NC(=O)c1cc2c(CO)cnc(C)c2oc1=[NH+]c1ccc2c(c1)OCO2,0
+O=S(=O)(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccccc1F,1
+COc1cc(OC)cc(C(=O)N2CC(C(=O)NCC(C)(C)C[NH+](C)C)C3(CC[NH2+]CC3)C2)c1,0
+CN(Cc1ccccc1Br)c1ccc(C(N)=[NH2+])c(Cl)c1,0
+COc1ccc(CCNC(=O)Nc2c(-c3ccc(Cl)cc3)nn(-c3ccc(F)cc3)c2N)cc1,0
+CCCn1c(N)c(C(=O)C[NH+](Cc2ccc(C(N)=O)cc2)C2CC2)c(=O)n(C)c1=O,0
+O=C(C[NH2+]C(c1ccccc1)c1cc2ccccc2o1)NN1C(=O)NC2(CCCCC2)C1=O,0
+OC1CCCC1Oc1c(Br)cccc1C[NH2+]C1CC1,0
+NC(=O)C[NH+]1CCCN(C(=O)c2cccc3c4c([nH]c23)CCCC4)CC1,0
+CC1CC(C)C[NH+](CCCCNC(=O)NNC(=O)Cc2ccccc2F)C1,0
+COc1cccc(C[NH2+]CC(O)C[NH+]2CCC(C)CC2)c1OC(F)F,0
+C=CC1CCc2ncnc(N3CCN(C(=O)C(CNC(C)C)c4ccc(Cl)cc4)CC3)c21,1
+CC1=NC(=O)C(C2NC(C(C)C)NN2c2cc[nH+]c(C)c2)C=C1,0
+COc1cccc2c1-c1nc(-c3ccc(C4(N)CC(O)(C5CC5)C4)cc3)c(-c3ccccc3)n1CO2,1
+Cc1cc(C)cc(NS(=O)(=O)c2cn(C)nc2N)c1,0
+CC(C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[NH+]1Cc2ccccc2-c2ccccc2C1,0
+COc1ccc(C[NH2+]C2C3COC(O3)C(N3CCN(C(C)=O)CC3)C2O)c(O)c1,0
+N#Cc1cnc(-c2ccc(CN3CCC(n4cnc5ccccc54)CC3)cc2)c(-c2ccccc2)c1,1
+COc1cc(Br)cc(C)c1NC(=O)NCC1CC[NH+](C(C)C)C1,0
+C[NH2+]C(C)c1cnc(N2CCNC(=O)C2)s1,0
+COc1c(Br)cc(Cl)cc1S(=O)(=O)NC1CCCCC1[NH3+],0
+CC(c1nnc(SC(C(=O)NC(N)=O)c2ccccc2)n1-c1ccc(F)cc1)[NH+]1CCCCC1,0
+CC1CC(O)c2ncnc(N3CCN(C(=O)C(CN4CCC(F)CC4)c4ccc(Cl)cc4)CC3)c21,1
+CC(C)[NH+](C)CCCCNc1ccc(C(N)=S)cc1Cl,0
+O=C(NN=Cc1cccc(OC(=O)c2sc3ccccc3c2Cl)c1)C(=O)Nc1ccccc1Cl,0
+CCc1ccc2c(c1)=CC(C(C1N=NNN1C(C)(C)C)N(CCc1ccccc1)Cc1cccs1)C(=O)[NH+]=2,0
+CCN(CC)C(=O)C[NH+]1CCCN(C(=O)Nc2ccccc2CC(N)=O)CC1,0
+CC1(C)CC(NC(=O)CCC(=O)N2C(C)(C)CC([NH3+])CC2(C)C)CC(C)(C)[NH2+]1,0
+CC12CCCCC1CCC1C2CCC2(C)C1CCC2(O)C[NH+](CCO)CCO,0
+[NH3+]CCCN(C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(Oc2ccccc2)cc1,0
+Cc1occc1C(=O)NNC(=O)N1CC=C(c2ccccc2)CC1,0
+NC(=O)CNC(=O)c1ccc(C2CCC[NH+]2CCCC(F)(F)F)s1,0
+CC(C)c1nc2nc(-c3ccc(CN4CCC(c5cnc6ccccc6n5)CC4)cc3)c(-c3ccccc3)cn2n1,1
+OCC([NH2+]CC1CCCO1)c1ccc(Br)cc1F,0
+Cc1n[nH]c2cnc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12,1
+[NH3+]C1CCCC1NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl,0
+COC(=O)c1cccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12,1
+CCOCCC[NH2+]Cc1cc(Br)ccc1OCC(N)=O,0
+Cc1sc(NC(=O)c2ccco2)c(C(Nc2cccc[nH+]2)c2ccsc2)c1C,0
+Cc1c(Cl)cccc1NC(=S)NNC(=O)CC1[NH2+]CCN(Cc2ccccc2)C1=O,0
+NC(=O)CCn1cc(C[NH+]2CCC(O)(c3ccccc3F)CC2)c2ccccc21,0
+CN(Cc1csc(Br)c1)c1cc(Cl)ccc1C(N)=[NH2+],0
+CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C)c3)cn2CC2CN(C)C2)CC1,1
+Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2C(C)(C)COC3c2ccccc2F)cc1,0
+Cn1ncc(Br)c1-c1ccc(C(=O)NC2CNCCC2c2ccc(Cl)cc2)o1,1
+CC(NC(=O)C(C)N1CNc2ccccc2C1=O)C(=O)NCCC1=c2ccccc2=[NH+]C1,0
+CSP1(=O)N[NH+]2CC3C=C(Cc4ccccc4)C(S(=O)(=O)Oc4ccccc4)=CC3CC2CO1,0
+Cc1c(Cl)cccc1N(CC(=O)Nc1ccccc1C(=O)NC(C)c1ccccc1)S(C)(=O)=O,0
+C=CCNc1nc(NCC[NH3+])c(C#N)c2c1CN(Cc1ccccc1)CC2,0
+COCCNC(=O)c1ccccc1NC(=O)C(=O)NCCC1=c2cc(Cl)ccc2=[NH+]C1,0
+CC[NH2+]C(c1cc2[nH]c(=O)[nH]c2cc1Br)C(CC)CC,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2c(Br)cccc21,1
+Fc1ccc(-c2cn3nc(C4CC4)nc3nc2-c2ccc(CN3CCC(c4n[nH]c(-c5cc(Cl)ccn5)n4)CC3)cc2)cc1,1
+COc1ccc2c(c1)=C1CCNC(C3C(=O)NC(=S)N(Cc4ccccc4)C3O)C1[NH+]=2,0
+CCOc1cc(C2C(C#N)=C(N)OC3N=NC(C)=C32)cc(Br)c1OCC(N)=O,0
+COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)NC(=O)Nc1ccc(C)cc1C,0
+CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccccc4C(F)(F)F)c3)cc2s1,1
+CCCCSc1nnc(NC(=O)CSc2n[nH]c(NN=C(C)C34CC5CC(CC(C5)C3)C4)n2)s1,0
+CCC(CO)[NH2+]C1CCOc2ccc(Br)cc21,0
+N#Cc1cccc(CC(N)COc2cncc(C=Cc3ccncc3)c2)c1,1
+COc1ccc(C[NH2+]Cc2ccc(Cl)s2)cc1OCC(O)C[NH+](C)C(C)C,0
+CS(=O)(=O)c1ccc(Sc2cccc(Cl)c2C(N)=[NH2+])cc1,0
+NC(=O)C(NCC1CCC[NH+](Cc2cccs2)C1)c1ccc(F)cc1,0
+CC(C)(N)c1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1,1
+COCCOc1ccccc1NC(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+NC(COc1cncc(-c2ccc3ncccc3c2)c1)Cc1c[nH]c2ccccc12,1
+NC(=O)C1CCN(C(=O)NCC2CCC[NH+](Cc3cccs3)C2)C1,0
+CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)cc3)cn2CCN2CC(F)C2)CC1,1
+COc1ccccc1C1CCN(c2ccc(C([NH3+])CCO)cc2[N+](=O)[O-])CC1,0
+COc1ccc(NCc2nnc(SCC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)n2-c2ccccc2)cc1,0
+Brc1ccc(-c2ccc(C[NH2+]CCCSc3nnnn3-c3ccccc3)o2)cc1,0
+C[NH+](CCCNC(=O)NCC(O)c1ccccc1F)Cc1ccccc1,0
+CC(=O)NC(=S)NNC(=O)c1ccccc1I,0
+CCc1ccc(C(C(N)=S)N2CC[NH+](CC)CC2)cc1,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4ccncc4)c3)cc12,1
+Cc1ccc(NC(=O)C(C)Sc2nnc(Cc3cccs3)n2-c2ccccc2)c(C)c1,0
+[NH3+]Cc1ccc(Br)cc1N1CCNC(=O)C1,0
+CCC[NH+]1CCN(c2nnc(-n3cccc3CN3CC[NH+](C4CCCCC4)CC3)s2)CC1,0
+Cc1ccc(S(=O)(=O)NC(C(=O)NCC(c2cccs2)[NH+]2CCCC2)C(C)C)cc1,0
+CCC(C)C[NH+](C)CCC(=O)Nc1c(N)cc(Cl)cc1Cl,0
+CCN(CC)c1ccc(C2C3CCCCC3(O)CC[NH+]2CC(=O)Nc2ccc(OC)cc2)cc1,0
+C[NH+](CCCOc1cccc(N)c1)Cc1cc(Br)cs1,0
+Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CCN3CCCC3)CC2)c1C(=O)O,1
+NC(=O)c1cc(NC(=O)N2CCC[NH+](Cc3cccs3)CC2)ccc1F,0
+CC(C)c1ccc(NC(=O)N2CC[NH+](CCN(CC3=CCC4CC3C4(C)C)C(=O)NC(C)(C)C)CC2)cc1,0
+O=C(NCC(O)c1ccc2ccccc2c1)Nc1ccc[nH+]c1N1CCOCC1,0
+CCC(CNC(=O)c1cc(S(N)(=O)=O)ccc1OC)[NH+]1CCc2ccccc2C1,0
+CNc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(c5nnc(-c6ccccn6)[nH]5)CC4)cc3)nc2n1,1
+C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)CSc3n[nH]c(NN=C4CCCCC4)n3)cc2)CC1,0
+CC(C)OC(=O)N(C)C1C[NH2+]C(C(=O)N2CC=C(c3ccccc3)CC2)C(C(=O)NO)C1,0
+CCCc1c(C[NH3+])nnn1-c1ccc(N2CCC(C)CC2)[nH+]c1,0
+N#CC1=C(N)Oc2[nH]nc(C(F)(F)F)c2C1c1ccco1,0
+CCC(=C(CC)c1ccc(O)c(C[NH+](CCO)CCO)c1)c1ccc(O)cc1,0
+COc1cc(Br)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12,1
+CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Cl,1
+CC1COCCN1c1nc(N2CCOCC2C)c2ccc(-c3ccc4[nH]nc(N)c4c3)nc2n1,1
+CC(=CC(=O)OCCOC(=O)C=C(C)C1CC(C)(C)[NH2+]C(C)(C)C1)NC1CC(C)(C)[NH2+]C(C)(C)C1,0
+[NH3+]C1CCCCC1N1C(=O)CC2(CCCC2)CC1=O,0
+CC(C)NC(=O)NC(=O)CN1CCN(C(=O)C2CCCCC2)CC1,0
+CC1(NC(=S)Nc2ccc(NC(=S)NC3(C)CCS(=O)(=O)C3)cc2)CCS(=O)(=O)C1,0
+CCOc1cc2c(cc1OCC)C(c1ccc(O)c(Cl)c1)[NH2+]CC2,0
+CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[NH+](CC)C3)cc1,0
+CC(=NNC(=O)C1CC1c1ccc(C(C)(C)C)cc1)c1ccc(NC(=O)c2ccc(Br)o2)cc1,0
+CCOc1ccccc1NC(=O)C(c1ccccc1)[NH+](C)CC(=O)Nc1ccccc1CC,0
+CCCCCNC(=O)C1CN(C(=O)c2ccc3ccccc3c2)CC12CC[NH2+]CC2,0
+COc1cc(C=C(C(=O)C=Cc2cccc(OC)c2OC)C(=O)C=Cc2cccc(OC)c2OC)ccc1O,1
+CC1(C)Cc2c(c(N3CCOCC3)[nH+]c3sc4c(O)nc(SCc5ccccc5)nc4c23)CO1,0
+CC[NH+](CC)CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2C1c1ccc(Cl)c(Cl)c1,0
+Nc1ncccc1-c1nc2ccc(Oc3ccccc3)nc2n1-c1ccc(C2(N)CCC2)cc1,1
+COc1ccccc1N1CCN2c3ccc(C(F)(F)F)cc3CC(C(=O)NCCC(C)C)C2C1,0
+CC([NH3+])C(O)c1cc(Cl)c2c(c1)OCCO2,0
+CC(NC(=O)C[NH2+]C(C)(C)CC(C)(C)C)c1ccc(NC(=O)C2CC2)cc1,0
+Cc1nc2cnc3ccc(C#Cc4cccnc4)cc3c2n1-c1ccc(C(C)C#N)cc1,1
+C[NH+](CC(=O)Nc1sccc1C(N)=O)Cc1ccc(Br)cc1,0
+CSc1ccc(C2C3[NH+]=c4ccccc4=C3CCN2C(=O)Cn2cnnn2)cc1,0
+CC1Cc2cc(F)ccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)n1C,1
+COc1ccc(C2CC(=O)C3=C(C2)Nc2ncnn2C3c2cc(OC)c(OC)c(OC)c2)cc1OC,0
+CCC(=O)N1CC(C(=O)NC(C)C(=O)NC)C2(CC[NH2+]CC2)C1,0
+Cc1cc(C([NH3+])c2ccccc2I)cc([N+](=O)[O-])c1,0
+Cc1ccc(C(=O)NC(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C(C)C)cc1,0
+CC(NC(=O)C1C[NH2+]CC1C(=O)NC1CCc2ccccc21)c1ccccc1,0
+CCC([NH3+])C(Sc1nc(N)cc(=O)[nH]1)c1cc(Br)cs1,0
+Cc1cc(F)ccc1NC(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+C=CCNc1[nH+]n(CC(=O)Nc2c(C)cccc2CC)c(N)c1-c1nc(-c2ccc(Cl)cc2)no1,0
+NC(=O)C1NC(Nc2ccccc2)SC1NC(=O)C1C=c2cc(Cl)ccc2=[NH+]1,0
+Cc1ccc(NC(=O)Nc2cccc3c2CC[NH+](Cc2cscn2)C3)cc1,0
+CCOc1ccccc1NC(=O)Nc1ccc(N2CCN(Cc3cccc(F)c3F)CC2)[nH+]c1,0
+CC[NH+]1CCCC1CNS(=O)(=O)c1cc(N)c(C)c(Cl)c1,0
+CCOc1ccc(N2C(=O)C(=CNC3CC(C)(C)[NH2+]C(C)(C)C3)c3ccccc3C2=O)cc1,0
+COc1ccc(C2C(C(=O)c3cc4cccc(OC)c4o3)=C([O-])C(=O)N2c2nccs2)cc1OC,0
+CC(C)c1ccc(C[NH+](C)C(C)C(=O)Nc2sccc2C(N)=O)cc1,0
+[NH3+]Cc1cn(Cc2cc(=O)oc3cc(Br)ccc23)nn1,0
+Oc1c(Br)cc(Br)cc1C=NN1C(=S)N=[NH+]C1c1cccc(Cl)c1,0
+NCC(Cc1ccccc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,1
+Cn1c(CC(=O)N2CC3(CCOCC3)c3ccccc32)nc(N2CCOCC2)cc1=O,1
+Cc1c[nH]c2ncnc(N3CCC(N)(CNC(=O)c4cccc(F)c4)C3)c12,1
+COc1ccc2c(c1)c(-c1cn3ccsc3n1)c(C)n2C,0
+Cc1nn(-c2ccccc2)c(C)c1C1C(=O)NCC[NH+]1CC(=O)Nc1oc(C)c2c(C)n[nH]c(=O)c12,0
+COc1cc(OC)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+[NH3+]Cc1cn(Cc2nnc(-c3ccccc3Br)o2)nn1,0
+CC[NH+]1CCc2c(sc3c2C(O)=NC(c2cc(I)ccc2O)N3)C1,0
+Cc1cc2c(cc1Br)C(=O)C(C[NH+]1CCCCC1)(Sc1ccc(Cl)cc1)CO2,0
+Cc1nnc(NC(=O)CC2(CN3CN[NH2+]N3)CCCCC2)s1,0
+OC(C[NH+]1CCC2(CC1)CC(O)c1ccc3ccccc3c1O2)c1ccc2c(c1)CCO2,0
+NC1(c2ccc(-c3nc4c(Br)cccn4c3-c3ccccc3)cc2)CCC1,1
+CCN(c1cccc(C)c1)c1nc[nH+]c(Nc2ccc(S(=O)(=O)N(CC)CC)cc2)c1N,0
+[NH3+]C1=C(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)c2ccccc2C1=O,0
+Nc1n[nH]c2nc(-c3ccc(CN4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)c(-c3ccccc3)cc12,1
+CCCCOc1ccc(Br)cc1C1C(C(=O)Nc2ccccc2C)=C(C)Nc2nnnn21,0
+CCC([NH3+])C(c1ccc(Br)s1)N1CCCCC1CCO,0
+CCCCCC[NH2+]C(CC)c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1,0
+Cc1ccc(S(=O)(=O)CNC(=O)C(c2ccc(C)cc2C)N(C)C(=O)c2c(O)cccc2O)cc1,0
+CC1CCCC(NS(=O)(=O)c2ccc(CC[NH3+])s2)C1C,0
+C[NH+]1CCC(CNS(=O)(=O)c2cc(Cl)cc(N)c2Br)C1,0
+Cc1ccc2cc(C(c3nnnn3C(C)(C)C)[NH+]3CCN(c4cc(Cl)ccc4C)CC3)c(=O)[nH]c2c1,0
+O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)c1cc3cc(F)c(F)cc3cc1-2,0
+CCc1ccc(C(C)NC(=O)C2CN(C(=O)c3cccc(Cl)c3F)CC23CC[NH2+]CC3)cc1,0
+NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cccc(F)c3-4)cc2)CC(O)(C2CC2)C1,1
+CCC[NH+](CC(=O)NCc1ccc(S(N)(=O)=O)cc1)C(C)c1ccccc1Br,0
+CCC1Oc2ccc(C(C)[NH3+])cc2N(Cc2ccccc2C)C1=O,0
+NC1(c2ccc(-c3nc4nc(O)ccn4c3-c3ccccc3)cc2)CCC1,1
+CC(=O)N1CCC([NH2+]C2CC(C)(C)C3CC(C)(O)CCC23CCC(=O)NC2CC2)CC1,0
+COc1cccc(-c2nc(NCC(C)C)nc3nn(-c4ccc(C(C)C)cc4)c(N)c23)c1,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12,1
+Cc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CC(C)CC(C)C4)cc3)nc12,0
+COc1cccc(C(O)C[NH+]2CCC3(CC2)CC(O)c2cc(O)ccc2O3)c1,0
+CCC([NH2+]Cc1cccc(Br)c1O)c1ccc(Br)cc1,0
+O=c1cnc(-c2ccc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2)c(-c2ccccc2)[nH]1,1
+O=C1N(CC2CCC2)CCCC1(O)C[NH2+]C12CC3CC(CC(C3)C1)C2,0
+CC(NC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)c1nc2ccccc2[nH]1,0
+Cl.Cn1nccc1-c1ccc(C(=O)NC2CNCCC2c2cc(F)cc(F)c2)c(Cl)c1,1
+O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=CNCC[NH+]1CCCCC1,0
+Cc1nc2nc(-c3ccc(CN4CCC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)c(-c3ccccc3)cn2n1,1
+CC(C#N)Oc1ccc(C[NH2+]CC2(O)CCCc3ccccc32)cc1,0
+Cc1ccc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4C#N)CC3)n2)cc1Cl,1
+COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)C[NH+]1Cc2ccccc2CC1C(N)=O,0
+COCC(C)NC(=O)c1oc2c(c1C)C(=NNC(N)=[NH2+])CCC2,0
+NC(COc1cncc(-c2cc3c(Cl)n[nH]c3cn2)c1)Cc1ccccc1,1
+CC1(C)CC(Nc2ncnc(Nc3nccs3)c2[N+](=O)[O-])CC(C)(C)[NH2+]1,0
+Cc1ccc2cccc(NC(=O)C(=O)NCc3ccc(N(C)C)[nH+]c3)c2n1,0
+NC(=O)CN(C1CC[NH2+]CC1)S(=O)(=O)c1cc(Br)sc1Br,0
+CC1=[NH+]C(CNC(=O)CCC2=c3ccccc3=[NH+]C2)ON1,0
+Cc1c[nH]c2ncnc(N3CCN(C(=O)C(N)Cc4ccc(F)cc4)CC3)c12,1
+O=C(NCCO)C(Cc1ccccc1)NC(=O)N1CCN(C(=O)C2C=c3ccccc3=[NH+]2)CC1,0
+Cc1ccc2oc(=[NH+]c3ccc(S(N)(=O)=O)cc3)c(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2c1,0
+CCCC[NH+]1CCC(CNC(=O)C2CN(C(=O)CC(C)CC)CC23CC[NH2+]CC3)CC1,0
+Cn1c(CC(=O)Nc2ccc(F)c(Cl)c2)nc(N2CCOCC2)cc1=O,1
+OCCNCC[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc12,0
+CS(=O)(=O)N1CCN(Cc2cccc3c2CCN3C(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)CC1,1
+CCOc1cc(C(Nc2cccc(C)[nH+]2)c2ccc3ccc(C)nc3c2O)ccc1O,0
+CC1c2c(O)cc(O)cc2OC(=O)C1CC(=O)NCCc1c[nH+]c[nH]1,0
+Cc1cc(N2CCCCS2(=O)=O)cc(C)c1S(=O)(=O)N1c2ccccc2CC1C,0
+Nc1ncccc1-c1nc2cc(Br)cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,1
+COc1cc(C(C)NC(=O)NCc2cc[nH+]c(N(C)C)c2)ccc1OCCO,0
+CCN(Cc1ccccc1C)C(=O)Nc1cccc(C[NH+]2CCCC2C(N)=O)c1,0
+C[NH+](C)CCCNC(=O)c1c2nc3ccccc3sc-2cc(=O)c1N,0
+CC([NH2+]CC1(c2ccc(F)cc2)CCOCC1)C(=O)Nc1ccc(F)c(F)c1,0
+O=C(NCCCO)C1CN(C(=O)C2COc3ccccc3O2)CC12CC[NH2+]CC2,0
+CC[NH2+]C(C)(CCCSc1cccc(Br)c1)C(N)=O,0
+Cc1ccc(OCC(O)C[NH2+]C(CO)CC(C)C)c(Br)c1,0
+CCn1c(-c2nonc2N)nc2c(C#CCO)ncc(OCCCN)c21,1
+CCOC(=O)C1=C(C[NH+]2CCC(CC(N)=O)CC2)NC(=O)NC1,0
+CCCCN(C(=O)C[NH+](C)Cc1ccc(CC)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,0
+O=C1Cc2cc(C(=O)NC(c3ccc(Cl)c(Cl)c3)C3CCNCC3)ccc2N1,1
+CCC(N)COc1cncc(-c2cc3c(cnc4cc(OC)c(OC)cc43)c(N)n2)c1,1
+CCC(N)C(c1ccc(Br)s1)[NH+](C)C(C)COC,0
+Nc1cc2cc(-c3cnc(NCC(N)Cc4ccc(C(F)(F)F)cc4)s3)ccc2cn1,1
+O=C(C[NH+](Cc1cccc(O)c1)C1CCC(O)CC1)NC1(c2ccc3c(c2)OCCO3)CCCC1,0
+CC1=C(C[NH2+]CCCc2n[nH]c(N)c2C#N)C(Oc2ccc(F)cc2)N(c2ccccc2)N1,0
+CC(C)NC(=O)C[NH+](C)C(C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2,0
+Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CC3CCN3)CC2)c1Cl,1
+Cc1cccc(NC(=S)NCCC2=c3cc(C)ccc3=[NH+]C2C)c1,0
+Cc1cccc(C)c1NC(=O)C[NH+](CC(=O)NC(=O)NCC(C)C)CC(=O)Nc1c(C)cccc1C,0
+CC1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2sccc2C(N)=O)C1=O,0
+[NH2+]=C(NCc1ccccc1)NCC1CN(Cc2ccccc2)CCO1,0
+COc1ccc(-c2n[nH]c(N3CCN(CC[NH3+])CC3)nc2=O)cc1,0
+CC(=O)c1ccccc1NC(=O)CSc1nnc(C(C)[NH+]2CCCCC2)n1-c1ccc(Cl)cc1,0
+CCn1c(-c2nonc2N)nc2cncc(C(=O)N3CCNCC3)c21,1
+CC([NH3+])C(c1ccc(Br)s1)N(C)CC(=O)N1CCCC1,0
+COc1ccc2cc(C[NH+](C)CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)ccc2c1,0
+CC(=O)Nc1cc(NC(=O)NCCCC[NH+]2CC(C)CC(C)C2)c(F)cc1F,0
+OCC1OC(Sc2nc3ccccc3n2CCCOc2cccc3ccccc23)C(O)C(O)C1O,0
+C=CCn1c(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nc2scc(-c3ccccc3)c2c1=O,0
+Cc1cccc(C)c1NC(=O)C[NH+](C)C(C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F,0
+CSCCC(NC(=O)C1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc2c(c1)OCCO2,0
+CCOC(=O)CNC(=O)NC1CCCCC1[NH3+],0
+COc1ccc2ccccc2c1CC(N)COc1cncc(-c2ccc3[nH]nc(C)c3c2)c1,1
+O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCN(C3CC3)CC2)cn1,1
+CC(c1nnc(SC(C(=O)Nc2ccc(F)cc2)c2ccccc2)n1-c1ccc(F)cc1)[NH+](C)C,0
+COc1ccccc1C1([NH2+]Cc2cn(CCC(N)=O)c3ccccc23)CCCC1,0
+CC(N)C(c1ccc(Cl)s1)[NH+](CCO)C1CCCC1,0
+OC(c1cc(Nc2ccc(Cl)cc2)nc2ccccc12)C1CCCC[NH2+]1,0
+CN(C)c1ccc(C(CNC(=O)COc2ccc(Cl)cc2)C2=c3ccccc3=[NH+]C2)cc1,0
+CC(=O)Nc1cccc(NC(=O)C(C)[NH2+]C(C)c2ccc3c(c2)CCCC3)c1,0
+CC(C)c1cc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4C(N)=O)CC3)n2)ccn1,1
+CCCCN1C(=O)NC(c2cccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)c2)C(C(=O)OC(C)C)=C1C,0
+OC(C[NH2+]CC(O)C1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1,0
+CC(CNc1ccc(N)cc1Br)[NH+]1CCCCC1,0
+CC(C)(CNC(C(N)=O)c1ccc(F)cc1)[NH+]1CCc2ccccc2C1,0
+COc1cc(OC)c(C([NH3+])c2ccc(I)cc2)c(OC)c1,0
+NC1NC(=Nc2ccccc2)NC(CSc2nnc(-c3ccncc3)o2)=[NH+]1,0
+O=C(NN=Cc1ccc(O)cc1O)Nc1cccc2nsnc12,1
+O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,1
+Cc1ccc(F)c(C(=O)N2CC(C(=O)NC(C)CCCC(C)(C)O)C3(CC[NH2+]CC3)C2)c1F,0
+O=C(CCC1NC(=O)c2ccccc2N=C1O)NCCC1=c2cc(Cl)ccc2=[NH+]C1,0
+CC1CCCCC1NC(=O)C(C)[NH+]1CCC(NC(=O)CC2CCCC2)CC1,0
+CC1(C)CC2CC(C)(CN2c2cncc(C(N)=[NH+]NC(=S)N3CCCC3)n2)C1,0
+Cc1cccc(NC(=O)c2ccccc2NC(=O)C[NH+]2CCCC2C(N)=O)c1,0
+O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)Nc1ccccc1Sc1ccc(Cl)cc1,0
+C=CC[NH2+]Cc1ccc(OC)cc1OCC(O)C[NH+]1CCCCCCC1,0
+CCOC(=O)C1=C(C[NH+]2CCCN(C(=O)C3CCCC3)CC2)N(CC)C(=O)NC1c1ccc(C)cc1C,0
+Cn1ncc(Cl)c1-c1coc(C(=O)NC2CNCC2c2ccc(F)c(F)c2)c1,1
+CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CC2CCN2)CC1,1
+CCOc1ccc(C(O)(c2ccccc2OC)C(C[NH+]2CCCCC2)c2ccccc2)cc1,0
+O=C(NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1)c1ccccc1,1
+O=C(CCC1CNC(=O)C2CC(NC(=O)c3cccs3)C[NH+]12)NCc1ccc(F)cc1,0
+COCCn1cnnc1CCNc1nc(CC[NH3+])nc2ccccc12,0
+COc1ccc2c(c1)-c1nc(-c3ccc(C4(N)CC(C)(O)C4)cc3)c(-c3ccccc3)n1CO2,1
+CCc1ccc(C([NH2+]CC(=O)N2CCC(C(N)=O)CC2)c2cccs2)cc1,0
+Cc1nc2c(cc(OC(C)CC(N)=[NH2+])c3ccsc32)s1,0
+CCc1ccc2c(c1)=C1N=NC(NN=Cc3ccc(N(CC)CC)cc3OC)=[NH+]C1[NH+]=2,0
+NC1(c2ccc(-c3nc4c5ccc(-c6ccn[nH]6)cc5nn4cc3-c3ccccc3)cc2)CCC1,1
+Cc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)NNC(=S)NCCC[NH+](C)C)cc3N2)cc1C,0
+C[NH2+]CC1CCC[NH+](CC(=O)Nc2ccc(I)cc2C)C1,0
+Cc1nnc(SCc2cc(=O)[nH]c(NC(=[NH2+])Nc3cccc(Cl)c3C)n2)s1,0
+COc1ccccc1-c1nnc(SC(C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1N,0
+COc1ccc(N2CC(C[NH2+]CCC3=C(C)N=NC3C)C(c3ccccc3Cl)N2)cc1,0
+CNC(=O)Cc1ccccc1NC(=O)NCC(c1ccc(C)cc1)[NH+]1CCCC1,0
+C=CCOC(=O)Nc1nc2c(s1)CC1C(C)(CO)C(O)CCC1(C)C2CC(=O)NCc1cccnc1,0
+Cc1nnc2n1N1C(=CSC1c1ccc(Cl)cc1)S2,0
+COc1ccc2cc3c([nH+]c2c1)N(c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1)CC3,0
+CN(c1ccccc1)c1nc[nH+]c(Nc2cc(Cl)cc(Cl)c2)c1N,0
+COc1cc(C2[NH+]=NC(=S)N2N=Cc2c3ccccc3cc3ccccc23)cc(OC)c1OC,0
+NC(=O)C1([NH+]2CCCCC2)CC[NH+](C2CC(=O)N(Cc3ccc(F)cc3)C2=O)CC1,0
+N#Cc1c(N)ncnc1N1CCC(c2nc(-c3cccc(F)c3)cn2CCN2CCCC2)CC1,1
+Cc1ccc(S(=O)(=O)N2CCC[NH+](C(C)C(=O)Nc3sccc3C(N)=O)CC2)cc1,0
+CCc1ccc(C(=O)N(CC[NH+](C)C)C(CC)c2nc3ccccc3c(=O)n2-c2ccc(CC)cc2)cc1,0
+O=C(Nc1cccc(C(F)(F)F)c1)Nc1c(O)oc2ccccc2c1=[NH+]C1CCCC1,0
+COc1ccc(CC(CN)NC(=O)c2cc(Br)c(-c3ccnc4[nH]ccc34)s2)cc1,1
+O=C1NC2(CCCC2)C(=O)N1CCC[NH2+]Cc1cc(F)ccc1F,0
+NC(=O)c1cc2ccc(O)cc2oc1=[NH+]c1ccc(F)c(Cl)c1,0
+C[NH+]1CCc2c(sc(NC(=O)COc3ccc(F)cc3)c2C(N)=O)C1,0
+O=C(CN1NC=C2c3ccccc3N(Cc3ccc(F)cc3)C2C1=O)NCCC1=c2ccccc2=[NH+]C1,0
+Cc1ccc(S(=O)(=O)NCCNC(=O)NCC(c2ccco2)[NH+]2CCCC2)cc1,0
+O=[N+]([O-])c1ccc(NN=Cc2ccc(Br)cc2)c(S(=O)(=O)N2CCCCCC2)c1,0
+CC(c1ccccc1Cl)N(C)C(C[NH3+])c1ccccc1Br,0
+Cc1ccc(C(=O)NC2=c3cc(C)ccc3=[NH+]C2C(=O)NCCC(C)C)cc1,0
+O=C(CC[NH+]1CCc2sccc2C1c1ccccc1)N1CCCN(C(=O)c2ccc3ccccc3c2)CC1,0
+Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl,1
+CCCCN(C(=O)C[NH+]1CCCCCC1c1ccc(OC)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,0
+COc1ccc(O)c(C[NH2+]C(C)c2ccccc2Br)c1,0
+N#CC1=C(N)Oc2cc(OC(=O)COc3ccc(Cl)cc3)ccc2C1c1c(Cl)cccc1Cl,0
+CNCC(Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3[nH]ccc23)CC1,1
+NS(=O)(=O)c1ccc(NC(=O)C(SC2[NH+]=c3ccc([N+](=O)[O-])cc3=[NH+]2)c2ccccc2)cc1,0
+Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CCN3CCCC3)CC2)c1Br,1
+COc1cccc(N2CC(C(=O)Nn3cnc4c(cnn4-c4cccc(Cl)c4)c3=O)CC2=O)c1,0
+CC1CCCC[NH+]1C(C)CNC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O,0
+Cc1ccc(CCNC(=O)C2C[NH2+]CC2C(=O)NC(C)CCCC(C)C)cc1,0
+CC(C(=O)Nc1ccc(N)cc1Cl)[NH+](C)CC(F)(F)F,0
+Cc1[nH+]ccn1CC(C)CNC(=O)c1cc(Br)ccc1O,0
+COc1ccc(S(=O)(=O)N(CC(=O)NC2CC(C)(C)Oc3ccc(OC)cc32)c2ccccc2F)cc1,0
+O=C(CCc1ccccc1)N1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+O=C(CN1C(=O)NC(CC2=c3ccccc3=[NH+]C2)C1=O)NC(c1ccccc1)c1ccc(Cl)cc1,0
+O=C1OCC(CO)(CO)[NH+]=C1NNc1ccc(Cl)cc1[N+](=O)[O-],0
+CCC(C)C([NH3+])C(=O)NCCCCCC(=O)N1CCOCCOc2ccccc2OCCOCC1,0
+Cn1cc(-c2ccc3nc(-c4ccc(C5(N)CCC5)cc4)c(-c4ccccc4)n3c2)cn1,1
+N#Cc1cccc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1,1
+CNc1ccc2ncnc(N3CCN(C(=O)C(N)Cc4ccc(Cl)cc4)CC3)c2c1,1
+CCC(C)C(=O)N1CC(C(=O)NC(C(=O)NC(C)(C)C)C(C)C)C2(CC[NH2+]CC2)C1,0
+C=CCNC(=O)NC(=O)C(C)N1CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1,0
+CC(Cn1cc[nH+]c1)NC(=O)NCC(c1c(F)cccc1Cl)[NH+]1CCCC1,0
+CC(C)CC1[NH2+]C2(CCN(C(=S)NC(C)C)CC2)N(C(C)c2ccccc2)C1=O,0
+CCc1ccc(C(CNS(=O)(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)[NH+](C)C)cc1,0
+CCCCC(C)C(=O)N1CC(C(=O)NCC2CN(Cc3ccccc3)CCO2)C2(CC[NH2+]CC2)C1,0
+CCc1ccc(C(CNC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)[NH+](C)C)cc1,0
+Cc1c(Cl)cccc1NC(=O)C(=O)NCC(c1cccc2ccccc12)[NH+]1CCCC1,0
+COc1ccc(CN2C(=O)C3C(CC(N)=O)[NH2+]C4(C(=O)Nc5c(Cl)cc(C)cc54)C3C2=O)cc1,0
+Nc1ncccc1-c1nc2cc(-c3cccnc3)cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,1
+CCc1cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c(OC)n1,1
+CCC1CCCCN1S(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3c(C)cccc3s2)cc1,0
+NS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(I)o2)c1,0
+[NH-]C1=NC(=O)C2=NCN(C3OC(COP(=O)([O-])CP(=O)([O-])O)C(O)C3O)C2=N1,0
+CNC(=O)NC(=O)C(C)N1CC[NH+](CCNC(=O)c2ccco2)CC1,0
+Cl.Cn1ncc(Cl)c1-c1cc(F)c(C(=O)NC2CNCCC2c2ccc(F)c(F)c2)cc1F,1
+CC(C)n1c(SC(C[NH3+])c2cc(Br)cs2)n[nH]c1=O,0
+CC1CC1C(=O)N1CCN(c2ccc(N)c[nH+]2)CC1,0
+CC(N)COc1cnc(Cl)c(C=Cc2ccncc2)c1,1
+NC(COCc1ccccc1)COc1cncc(C=Cc2ccncc2)c1,1
+Cc1nc2nc(-c3ccc(CN4CCC(c5cnc6ccccc6n5)CC4)cc3)c(-c3ccccc3)cn2n1,1
+CC([NH3+])CCNS(=O)(=O)c1ccc(I)cc1,0
+CC1CC(C)C[NH+](C(C)(C)CNC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1,0
+Nc1c(NN(c2ccccc2)c2ccccc2)nc[nH+]c1Nc1cccc2cccnc12,0
+C=CCN(C)C(=O)C(C)C1CCC2(C)Cc3sc(NC)[nH+]c3C(C)C2C1O,0
+O=C(c1cc2c(s1)CCC2)N1C(=O)c2ccccc2S1(=O)=O,0
+NC(=O)c1c(NC(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)sc2c1CCC2,0
+COc1cccc(NC(=O)C(C)SC2=NC(=Cc3ccc(OC)cc3OC)C(=O)N2c2ccccc2)c1,0
+Nc1ncccc1-c1nc2ccc(Nc3ccc(N4CCOCC4)cc3)nc2n1-c1ccc(C2(N)CCC2)cc1,1
+CC1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=S)[nH]1,1
+O=C(C1CC(=O)N(C2CCCC2)C1)N1CCCCCCC1,0
+O=C(NCCC1=c2ccccc2=[NH+]C1)C(=Cc1ccccc1Cl)NC(=O)c1ccccc1,0
+C=CC[NH2+]CC(=O)Nc1cccc(NC(=O)CCc2ccccc2)c1,0
+CC[NH+]1CCc2c(sc(-n3cccc3)c2C(C)NC(=O)Nc2ccc(C)cc2C)C1,0
+CCc1ccc(C(=O)N2CC(C(=O)NC(C)c3ccc(Br)cc3)C3(CC[NH2+]CC3)C2)cc1,0
+Cc1c(F)c(Oc2cccc(C(N)=[NH2+])c2)nc(Oc2cccc(S(=O)N(C)C)c2)c1F,0
+NC(=O)c1c(NC(=O)C[NH+]2CCN(S(=O)(=O)Cc3ccccc3)CC2)sc2c1CCC2,0
+Cc1ccc(-c2nnc(SCC(=O)N3CC[NH+](CC(=O)Nc4c(C)cccc4C)CC3)n2N)cc1,0
+CC1CCCC(NC(=O)CN2CCN(C(=O)NC3CCOCC3)CC2)C1,0
+COCCCNc1nc[nH+]c(NN(c2ccccc2)c2ccccc2)c1N,0
+Cl.Cn1nccc1-c1ccc(C(=O)NC2CNCCC2c2cc(F)cc(F)c2)cc1F,1
+CC(C)(C)NC(=[NH2+])Nc1ccc(Br)cc1Br,0
+Cc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccc(F)cc3)cc2)c(C)c1,0
+CC([NH2+]C1CCCCC1C(F)(F)F)c1cc(O)ccc1O,0
+CC(C[NH+](C)CC(=O)NCc1ccc(S(N)(=O)=O)cc1)c1ccccc1,0
+COC(=O)C(CC1=c2ccccc2=[NH+]C1)NC=C1C(=O)NC(=S)NC1=O,0
+CC1OC(Oc2c[nH]c3ccc(Br)c(Cl)c23)C(O)C(O)C1O,0
+NC(=O)NC(=O)CC[NH+]1CCCC1c1cccc2c1OCCO2,0
+CC(c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC(=O)Nc1ccc(Br)cc1,0
+NS(=O)(=O)c1ccc(CCNC(=O)C[NH+]2CCCC2c2ccc3c(c2)OCCO3)cc1,0
+COc1ccc2oc(C(=O)NC3CCCCNC3=O)c(C)c2c1,0
+CC(C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(C(O)c2ccc(Cl)cc2)CC1,0
+[NH2+]=C(NCCN1CCN(c2ccc(F)cc2)CC1)Nc1ccccc1,0
+CC[NH2+]C(c1cc2[nH]c(=O)[nH]c2cc1Br)c1sccc1C,0
+CC(C)[NH+]1CCc2c(sc(NC(=O)c3ccccc3NS(=O)(=O)c3ccccc3)c2C(N)=O)C1,0
+[NH3+]C1CCCCCC1NS(=O)(=O)c1ccc(Cl)cc1F,0
+NC(=[NH2+])c1ccc(CSc2nc3ccccc3s2)c(F)c1,0
+CCC([NH3+])C(Oc1ccccc1I)c1ccccc1F,0
+Cc1cccc(-n2nc3nc(NCC[NH+](C)C)nc(-c4cc(F)ccc4F)c3c2N)c1,0
+CCCC[NH2+]CC(=O)N=c1[nH]c(-c2ccc(Br)cc2)cs1,0
+CN(C)C(=O)C1CCC[NH+]1CCC(=O)N(C)CCC[NH3+],0
+Nc1ncccc1-c1nc2ccc(Sc3ccccc3)nc2n1-c1ccc(C2(N)CCC2)cc1,1
+CCOC(=O)c1c(NC(=O)C(C)[NH+](C)CC(N)=O)sc2c1CCCC2,0
+CC(=NNc1nc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n[nH]1)c1ccc(Br)cc1,0
+CCOc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)NCC[NH+](CC)CC)cc2)cc1,0
+Cc1ccc(C(N)=O)cc1NC(=O)NCC1CCC[NH+]1CC1CCCCC1,0
+Cc1cc(-n2cc(Br)cn2)ncn1,0
+CC(SC1NN=C(Nc2ccccc2)S1)C(=O)C1=c2ccccc2=[NH+]C1,0
+Cc1ccc(-n2c(O)c(C3[NH2+]CCc4c3[nH]c3ccccc43)c(=O)n(-c3ccc(C)cc3)c2=O)cc1,0
+O=C1[NH+]=c2ccccc2=C1NNc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(N2CCOCC2)n1,0
+CC1CCCC(C)C12NC(=O)N(CC1CC[NH2+]C1)C2=O,0
+Cc1ccc(C(C)NS(=O)(=O)c2ccc(CC[NH3+])s2)cc1,0
+C=CCC(O)(CC=C)C[NH2+]C1CCN(c2ccc(CC(=O)N3CCC(O)CC3)cc2)CC1,0
+CC(C)CC(C(=O)NCCc1ccc(F)cc1)N1C(=O)N2CCC3=c4ccccc4=[NH+]C3C2(C)C1=O,0
+Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN2CCCC2)CC1,1
+CNc1nc2[nH]c(=O)c3c(c2s1)OC(N)=C(C#N)C3c1cccc(OC)c1OC,0
+CC1CCCCC12NC(=O)N(CC(=O)N1CCc3sccc3C1)C2=O,0
+Cn1c(=O)c(C(=O)C[NH+](C)CC(=O)Nc2ccccc2Cl)c(N)n(Cc2ccccc2)c1=O,0
+O=C(NCCc1ccc(Br)cc1)C1CN(C(=O)CCCc2ccccc2)CC12CC[NH2+]CC2,0
+O=C(c1cc2ccccc2o1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1,0
+CCOc1cccc(C2CC(c3cccc(OC)c3)=NC(c3ccc(Br)cc3)[NH2+]2)c1O,0
+NC(=O)c1c(NC(=O)Cc2cccs2)sc2c1CCN(Cc1ccccc1)C2,0
+CSc1ccc(NC(=O)N(CC[NH+](C)C)C(C)c2nc3ccccc3c(=O)n2-c2ccc(C)cc2C)cc1,0
+C[NH+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1ccc(Cl)s1,0
+CC(NC(=O)C[NH2+]C(c1cccs1)C(C)C)c1ccc(NC(=O)C2CC2)cc1,0
+Cc1ccc(C)c(NC(=O)C(OC(=O)c2cc(C)n(-c3ccccc3)c2C)c2ccccc2)c1,0
+COc1ccc(-c2c3c(n(C4OC(CO)C(O)C(O)C4O)c(=S)c2C#N)CC(C)(C)CC3=O)cc1,0
+COc1c(Br)cc(Br)cc1C[NH2+]CCCC[NH3+],0
+CCC([NH3+])C(c1cc(Br)cs1)N(CCO)C1CCCC1,0
+OC(C[NH2+]Cc1ccccn1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1,0
+CC1CC(C)C[NH+](C(C)C(=O)Nc2ccc(Cl)cc2N)C1,0
+[NH3+]CC1Oc2cc(Cl)cc(Cl)c2NC1=O,0
+COC(=O)COc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1,1
+Cc1ccc(C)c(NC(=O)C(C)N2CC[NH+](CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)c1,0
+NC1(c2ccc(-c3nc4c5cc(-c6ccc(F)cc6)ccc5nn4cc3-c3ccccc3)cc2)CCC1,1
+CCC(C)c1ccc(NC(=O)CSc2nnc(-c3cc(-c4ccc(C)cc4)n[nH]3)n2N)cc1,0
+CC(c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC(=O)Nc1cccc(F)c1,0
+CON(C(=O)C1CC(S(=O)(=O)Oc2ccccc2)=C2Nc3ccccc3C[NH+]21)c1ccccc1O,0
+CC(C)C([NH3+])C(=O)NC(C)(C)c1ccc(Br)cc1,0
+CCOC(=O)C1=C(C)NC(SCC(=O)NC(C)C23CC4CC(CC(C4)C2)C3)=C(C#N)C1c1cccs1,0
+CC1CCN(C(=O)C2CCCN2C(=O)c2n[nH]c3c2CCCC3)CC1,0
+COC(=O)CC(NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1Cl,0
+CC1CN(C(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)c(Cl)c2)CC[NH2+]1,0
+[NH3+]CC(Sc1nnnn1C1CCCC1)c1cc(Br)cs1,0
+CCOc1nc(C(=O)NCc2ccncc2)cc(N)c1C#N,1
+NC(=[NH2+])c1ccc(Oc2cccc(Br)c2)c(Cl)c1,0
+Cc1ccc(C)c(N2C(=O)C(C3NCCC4=c5ccccc5=[NH+]C43)C(O)=NC2O)c1,0
+Cn1ncc(Br)c1-c1coc(C(=O)NC2CNCCC2c2ccc(Cl)cc2)c1,1
+CC(C)(C)c1cc(C2CS(=O)CC(C(=O)NCc3ccccn3)[NH2+]2)cc(C(C)(C)C)c1O,0
+CCCCC(C)C(=O)N1CC(C(=O)NC(C)c2ccc(C)cc2)C2(CC[NH2+]CC2)C1,0
+COc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1ccc(OCC(N)=O)cc1,0
+CCC(N)C(c1ccc(Br)s1)[NH+]1CCN(CCO)CC1,0
+CC(C)C([NH2+]CC(=O)N1CC(C(N)=O)Oc2ccccc21)c1ccc(Cl)cc1,0
+CCOc1cc(C2C(C#N)=C(N)OC3N=NC(C)=C32)cc(Br)c1OCC(N)=O,0
+COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=S)Nc3ccccc3C)c2)cc1,0
+c1ccc(-c2cn3nccc3nc2-c2ccc(CN3CCC(c4nc5cccnc5[nH]4)CC3)cc2)cc1,1
+CCCCCCC(=O)N1CC(C(=O)NC(C)c2c(C)n[nH]c2C)C2(CC[NH2+]CC2)C1,0
+CC[NH+](CC)C(CNC(=O)Nc1ccccc1SCC(N)=O)CC(C)C,0
+COc1ccc(CN2C(=O)C3C(CC(N)=O)NC4(C(=O)Nc5c(Cl)cc(C)cc54)C3C2=O)cc1,0
+NC(=O)c1cccc(CSc2nc(N)cc(=O)[nH]2)c1,0
+CC(C)C(NC(=O)COc1ccc(N(C)S(=O)(=O)c2ccc3ccccc3c2)cc1)C(=O)N1CCCC1,0
+O=C(C[NH+]1CCCC1C(=O)Nc1ccc(Cl)cc1Cl)NC(=O)NC1CCCC1,0
+COc1cccc(C(CNC(=O)CCc2ccc(S(N)(=O)=O)cc2)[NH+]2CCCC2)c1,0
+CN(Cc1csc(Br)c1)c1cccc(Cl)c1C(N)=[NH2+],0
+COc1cc2ncc3c(N)nc(-c4cncc(OCC(N)Cc5ccccc5Cl)c4)cc3c2cc1OC,1
+CC(C)(O)C#Cc1ccc(C[NH+]2CCCC(CNC(=O)C3C=c4ccccc4=[NH+]3)C2)s1,0
+CCn1cc(NC(=O)c2cc(-c3ccc(C)cc3)on2)c(C(N)=O)n1,0
+CC(=O)C(NNc1ccccc1)=[NH+]Nc1ccc(Br)cc1,0
+CC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CC[NH+](CC2CCCO2)CC1,0
+O=C(CCC1=c2ccccc2=[NH+]C1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1,0
+CSc1ccc(C[NH+](C)C(C)C(=O)NC(=O)Nc2ccc(C)cc2C)cc1,0
+NC(=O)C1CCC[NH+]1Cc1cccc(NC(=O)C=Cc2ccc(-c3ccccc3F)s2)c1,0
+C[NH+](C)C(CNC(=O)Nc1ccccc1OCCC(N)=O)c1ccc(F)cc1,0
+CCOC(=O)C([NH3+])Cc1cc(C)cc(I)c1O,0
+COc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3cc(Cl)c(OC)cc3OC)ccc2Cl)cc1,0
+CCOC(=O)C1=C(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)NC(=O)NC1c1cc(C)ccc1C,0
+CC([NH2+]CCN1CC[NH2+]CC1)(C(=O)[O-])c1cccc(Br)c1,0
+COc1cccc(C[NH+](C)C(C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)c1,0
+COc1ccc(-c2nnc(SCc3cc(O)oc4cc(=[NH+]C(C)=O)ccc3-4)n2-c2ccccc2)cc1,0
+N#CC(=Cc1cn(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc12)C1[NH+]=c2ccccc2=[NH+]1,0
+C=C(C)CSC1NNC(C2C=C(c3ccc(Cl)cc3)N=N2)N1N,0
+C[NH+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1nc(N)c2c3c(sc2n1)CCCC3,0
+COc1ccc(Cl)cc1C(=O)Nc1sc2c(c1C(N)=O)CC[NH+](C)C2,0
+CC1CC(C)C[NH+](C(C)(C)CNC(=O)NCCNC(=O)C2CC2)C1,0
+CC1Cc2c(cccc2C(F)(F)F)N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+COc1cccc(C(Nc2cccc[nH+]2)c2cc(C)sc2NC(=O)c2ccco2)c1,0
+O=C(N1CCN(c2ncnc3[nH]cc(Cl)c23)CC1)C1(c2ccc(Cl)cc2)CCNCC1,1
+CCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1,0
+CN(C)CCN1CCN(c2ccc3nc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC1,1
+CN1CCN(Cc2nnc3c4cc(-c5ccccc5)c(-c5ccc(CN6CCC(c7n[nH]c(-c8ccccn8)n7)CC6)cc5)nc4ccn23)CC1,1
+CC(=O)Nc1cc(NC(=O)NC(C)C[NH+]2CC(C)CC(C)C2)ccc1F,0
+COc1ccc2cc(C(=O)Nc3cccc(Cl)c3)c(=[NH+]c3ccc(S(N)(=O)=O)cc3)oc2c1,0
+CC1CC[NH+](CC(O)CNC(=O)NC(C)c2ccc(OC(F)F)cc2)CC1,0
+O=C(COc1ccccc1F)NNC(=O)NC1C2CCCC1C[NH+](C1CC1)C2,0
+Cc1cc(S(=O)(=O)N2CCCCC2)cc2c1OC(C[NH3+])C2,0
+O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)s2)ccc1N1CCN(c2cccc[nH+]2)CC1,0
+CNS(=O)(=O)c1ccc(C(C)[NH2+]Cc2cc(Cl)cc(Cl)c2)cc1,0
+COc1ccc(Cl)cc1-c1csc(-c2cc3ccc(O)cc3oc2=[NH2+])n1,0
+O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1ccc(C(=O)[O-])cc1,0
+CC(C)[NH+]1CCc2c(sc(NC(=O)Cc3ccc(S(=O)(=O)C(C)C)cc3)c2C(N)=O)C1,0
+O=C(NN=CC1=c2ccccc2=[NH+]C1)C(O)(c1ccccc1)c1ccccc1,0
+CCCCCCC(=O)N1CC(C(=O)NCC2CC[NH+](C)C2)C2(CC[NH2+]CC2)C1,0
+CC(CCc1ccco1)NC(=O)Nc1cccc(C[NH+]2CCCC2C(N)=O)c1,0
+Cn1cc[nH+]c1C(Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)c1ccccc1,0
+CCN(CC)c1ccc(C2Nc3ccc(Br)cc3C(c3ccccc3)[NH+]2CC(=O)OC)cc1,0
+O=C1C(=Cc2ccccc2O)SC(=NN=Cc2cc(Br)ccc2O)N1Cc1ccco1,0
+Nc1cc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CCN3CCC3)CC2)ncn1,1
+CC[NH+]1CCCC1CNC(=S)NCC(c1ccc(OC)cc1)[NH+]1CCCCC1,0
+CC1CCN(S(=O)(=O)c2ccc(C(=O)Oc3ccc4nc(N5CC[NH+](C)CC5)sc4c3)cc2)CC1,0
+CC(=O)Nc1nc2ccc(-c3ccnc(NC(C)(C)c4ccccc4)n3)cc2s1,1
+CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(CN)cc21,1
+Cc1cnc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+CC[NH+]1CCc2c(sc(-n3cccc3)c2C(C)NC(=O)Nc2cc(Cl)c(OC)cc2OC)C1,0
+CCN(C(=O)C[NH+](C)CCOc1ccc(C)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,0
+NC(=[NH2+])SCC(=O)N1N=C(c2ccc(Cl)cc2)CC1c1ccco1,0
+O=C1Nc2c(Br)cccc2C1[NH2+]CC1CCS(=O)(=O)C1,0
+C[NH+](C)C(CNC(=O)NCC1(O)CCCc2ccccc21)c1ccsc1,0
+COc1ccccc1NC(=O)C[NH+]1Cc2ccccc2CC1C(N)=O,0
+COc1ccc(NC(=O)c2c(NC(=O)C[NH2+]Cc3ccco3)sc3c2CCC3)c(OC)c1,0
+O=C(NO)C1CC(CC(=O)N2CCCC2)C[NH2+]C1C(=O)N1CC=C(c2ccccc2)CC1,0
+NC(NCCC(c1ccccn1)c1cccs1)=[NH+]CCCc1c[nH]cn1,0
+C[NH2+]CCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1,0
+NC(=O)C1CCC[NH+]1Cc1cccc(NC(=O)NCc2cccc([N+](=O)[O-])c2)c1,0
+Cc1cc(COCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)no1,1
+O=C(NCCCNc1ccccc1)NCc1cc[nH+]c(N2CCCCC2)c1,0
+CCCN(CC(=O)NC)C(c1ccc(Br)s1)C(C)[NH3+],0
+Cc1cc(S(N)(=O)=O)cc(NC(=O)C[NH+](C)C(C)c2ccc(-n3cncn3)cc2)c1C,0
+CCC(C)C([NH3+])C1NN=C(SCc2c(C)[nH]c(=O)[nH]c2=O)O1,0
+O=C(O)c1ccc2nc(-c3ccc(CN4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)c(-c3ccccc3)nc2c1,1
+CCC1(c2ccc(Cl)c(C)c2)NC(=O)N(C(C)C[NH3+])C1=O,0
+CCC([NH3+])C(Sc1nncn1C)c1cc(Br)cs1,0
+COC(=O)C1CC(NC(=O)C2CC([NH3+])CN2C(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C,0
+CN(Cc1ccncc1)CC1CC(C(C)(C)C)CCC1[NH3+],0
+COC(=O)c1cnn2cc(-c3ccc(F)cc3F)c(-c3ccc(CN4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)nc12,1
+NC(=O)CN1CCC([NH2+]Cc2ccc(F)c(Br)c2)CC1,0
+Nc1ncc(Br)cc1S(=O)(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1,0
+CC[NH+](CC)C(CNC(=O)C(CCSC)NC(N)=O)c1ccsc1,0
+O=C(CCCSC1Nc2ccccc2S1)NNC(=O)CC1=c2ccccc2=[NH+]C1,0
+O=c1cccc2n1CC1CC2C[NH+](CC(O)CNc2cccc(O)c2)C1,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12,1
+CC(Oc1ccc(Br)cc1C[NH3+])C(=O)NCc1ccco1,0
+CCN1C=C(c2csc(N)n2)C(c2ccc(Cl)cc2)[NH+]=C1O,0
+NC(=O)c1ccsc1NC(=O)C[NH2+]C(c1ccc(F)cc1)c1cccs1,0
+CC(C)CNC(=O)C[NH+](CC(=O)NCC(C)C)C(C)c1ccc(S(N)(=O)=O)cc1,0
+CC1SCc2ncnc(N3CCN(C(=O)C(N)Cc4ccc(Cl)c(F)c4)CC3)c21,1
+COc1ccc(OC)c(NC(=O)C2CC(C)[NH2+]C23C(=O)Nc2c(Cl)cccc23)c1,0
+CCCCN(CCO)C(c1ccccc1Br)C(C)[NH3+],0
+CC[NH+](CC)CCNC(=O)C1(O)c2cc(Br)ccc2NC(=O)N1c1cccc(OC)c1,0
+Nn1c(SCC(=O)NN=Cc2ccc(Cl)cc2)nnc1-c1ccc(Br)cc1,0
+CN1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC1,1
+NC(=O)c1c(NC(=O)C[NH+]2CCn3cccc3C2c2ccccc2)sc2c1CCCC2,0
+Cc1cccc(-c2nc(C3CCN(Cc4ccc(-c5nc6nccn6cc5-c5ccccc5F)cc4)CC3)n[nH]2)n1,1
+Oc1ccc(C[NH2+]Cc2cc(Br)ccc2F)c(O)c1,0
+NCC(NC(=O)c1cc(-c2cccnc2)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1,1
+CCN1NCc2c(C(=O)Nc3cccc(-c4[nH]c(C)c(C)[nH+]4)c3)cc(-c3ccccc3)nc21,0
+Cc1ccc2c(c1C)NC(=O)C21[NH2+]C(CC(N)=O)C2C(=O)N(Cc3ccccc3)C(=O)C21,0
+C[NH+](C)CCNC(=O)C1CN(C(=O)COc2cccc(Cl)c2)CC12CC[NH2+]CC2,0
+[NH3+]C1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1F,0
+Nc1nc(NCCC[NH+]2CCOCC2)nc(Nc2ccc(Cl)cc2)c1[N+](=O)[O-],0
+CC1(C)CC(NC(=O)CCCCCCNC(=O)OC(C)(C)C)CC(C)(C)[NH2+]1,0
+CC(C(=O)NC(=O)NC(C)(C)C)[NH+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1,0
+CCCSc1nc2n(n1)C(c1cc(OC)ccc1OC)C(C(=O)Nc1cccc(C)c1C)=C(C)N2,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)C2CCOCC2)CC12CC[NH2+]CC2,0
+CN(Cc1ccc(Cl)cc1)C(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1,1
+Cc1cc(C)c(CNC(=O)CCCCC2SCC3NC(=O)NC32)c(C)c1,0
+CCCCn1c(N)c(N(C(=O)C[NH+](C)Cc2ccc(Cl)s2)C2CCCC2)c(=O)[nH]c1=O,0
+CCOC(=O)CCC(=O)N1CCC2(CC1)NC(=O)NC2=O,0
+CC(C)CC(C(=O)NC1CCCc2ccccc21)N1C(=O)N2CCC3=c4ccccc4=[NH+]C3C2(C)C1=O,0
+O=S(=O)([O-])C(O)CC=C(C(O)S(=O)(=O)[O-])C(O)S(=O)(=O)[O-],0
+N#Cc1ncc2nc1OCCCCCOc1cc(CCCO)c(Cl)cc1NC(=O)N2,1
+CC(C)C[NH+](Cc1nc2scc(-c3ccccc3Cl)c2c(=O)[nH]1)CC(O)COC(C)C,0
+O=C(NC(CC1=c2ccccc2=[NH+]C1)C(=O)Nc1ccc(SC(F)F)cc1)c1cccs1,0
+CN1C(=O)C(=CNCCN2CC[NH2+]CC2)C(=O)N(C)C1=O,0
+O=[N+]([O-])c1ccc(NN=C(c2ccc3c(c2)OCCO3)c2ccccc2Cl)c([N+](=O)[O-])c1,0
+Cc1cc(C)n(CC(=O)NNC(=O)NCC2([NH+](C)C)CCCC(C)C2)n1,0
+CC(=Cc1ccccc1)C=C(NC(=O)c1ccccc1)C(=O)NNC1=c2cc(C)ccc2=[NH+]C1=O,0
+NC(=O)c1cc2c([nH]c1=O)CCCC2NC(=O)CCCCCc1cccs1,0
+CCC(C)C(=O)NCC1NNC2CCN(C(=O)CCC3=c4ccccc4=[NH+]C3)CCN21,0
+C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C=Cc2ccccc2F)cc1,0
+C#CC[NH+](CC(=O)Nc1sccc1C(N)=O)C1CCc2ccccc21,0
+Cl.NCc1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4cn[nH]c4)nc32)cc1,1
+O=C(NCc1ccc(Br)cc1F)C1CN(C(=O)C2CC=CCC2)CC12CC[NH2+]CC2,0
+O=C(NC1[NH+]=c2ccccc2=[NH+]1)C1CCC(CN2C(=O)c3ccccc3NC2O)CC1,0
+CC1CN(S(=O)(=O)c2ccc(C(=O)N(CC[NH+](C)C)c3nc4c(F)cccc4s3)cc2)CC(C)O1,0
+Nc1ncnc2nc(-c3ccc(CN4CCC(c5nc6ccc(F)cc6[nH]5)CC4)cc3)c(-c3ccccc3)cc12,1
+c1ccc(CCN2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1,1
+CCCCCCCCCCCCc1ccc(S(=O)(=O)Nc2nncs2)cc1,1
+FC(F)(F)c1ccc(NC(=S)NCc2ccc3c(c2)=C2CCCCC2[NH+]=3)cc1,0
+NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cccc(F)c3-4)cc2)CCC1,1
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(C(N)=O)CC4)cc3)nc2n1,1
+CC(NC(=O)NCC1CCC[NH+]1CC1CCCCC1)C(=O)NCc1ccco1,0
+COc1ccc2c(c1)=C(CCNC(=NC(=O)Nc1ccccc1)Nc1nc(C)cc(C)n1)C[NH+]=2,0
+CCCCC[NH+](C)CCC(=O)Nc1c(N)cc(Cl)cc1Cl,0
+CC1=C(C(C)NC(=O)C2CN(C(=O)c3sccc3C)CC23CC[NH2+]CC3)C(C)N=N1,0
+O=C(Nc1nc2c(s1)C[NH2+]CC2)c1csc([N+](=O)[O-])c1,0
+C[NH+]1CCN(c2c(Cl)cccc2NC(=O)CSc2ccc(C(C)(C)C)cc2)CC1,0
+N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN2CCCCC2)CC1,1
+CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(Cl)c(F)c3)cn2CCN2CCCC2)CC1,1
+COc1ccccc1C[NH+]1CCNC(=O)C1CC(=O)NCCc1[nH]c(C)c[nH+]1,0
+CC1c2ccsc2CCN1C(=O)Nc1cccc(C[NH+]2CCCC2C(N)=O)c1,0
+COC(=O)c1ccc(C2SC(C)C(=O)Nc3[nH]nc(C)c32)cc1,0
+CC(C)(C[NH3+])NS(=O)(=O)c1sccc1Br,0
+COc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nc3n[nH]c(C)c3c2=[NH2+])cc1,0
+NC(=O)C=Cc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1,1
+COc1ccc2c(c1)OCn1c-2nc(-c2ccc(C3(N)CC(C)(O)C3)cc2)c1-c1ccccc1,1
+O=C(NCCCCC(C(=O)NN=Cc1ccc(-c2cccc(Cl)c2)o1)[NH+]1CCCCC1)c1ccccc1,0
+NC(CNC(=O)c1ccc2cnccc2c1)Cc1ccc(C(F)(F)F)cc1,1
+NC(=O)C1CCCC[NH+]1CC(=O)Nc1ccc(I)cc1,0
+Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)oc1Cl,1
+Cn1ccc2c(NC(=O)Cc3nc(N4CCOCC4)cc(=O)[nH]3)cccc21,1
+CCC(C)(C)c1ccc(OCC(O)C[NH+]2CC3CC(C2)c2cccc(=O)n2C3)c(C(C)(C)CC)c1,0
+CC1CC(C)C[NH+](CCNC(=O)NCc2ccc(NC(=O)NC(C)C)cc2)C1,0
+O=C(NNc1nc2c(F)cc(F)cc2s1)C1=COCCO1,0
+C=CCn1c(SC(C)C(=O)Nc2ccccc2Cc2ccccc2)nc2ccccc2c1=O,0
+Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCCC(C(=O)NCCC2=c3ccccc3=[NH+]C2)C1,0
+CC1CCC2C(CCCN2C(=O)C2CCCCN2S(C)(=O)=O)C1,0
+Fc1ccc(-c2cn3ccnc3nc2-c2ccc(CN3CC(c4n[nH]c(-c5ccccn5)n4)C3)cc2)cc1,1
+CC(C)CC1[NH2+]C2(C(=O)Nc3ccc(Cl)cc32)C2C(=O)N(CC3CCCO3)C(=O)C12,0
+Cn1c(CC(=O)NN=Cc2ccc(O)cc2)nc2ccccc21,0
+Nc1ccc(-n2ccc(C(=O)Nc3ncc(Br)s3)n2)cc1,0
+NC(=O)CCC[NH2+]C1CCCOc2cc(Br)ccc21,0
+NC(=O)CCSc1ccccc1NC(=O)NCCc1cccs1,0
+CC(C)NCC(C(=O)N1CC2CCC(C1)N2c1ncnc2c1C(C)CC(=O)N2)c1ccc(Cl)cc1,1
+Cc1ccc(CNS(=O)(=O)c2ccc(CC[NH3+])s2)s1,0
+COC1C[NH+](C(CNc2ccccc2O)c2ccc(-c3ccccc3O)cc2)CCN1,0
+Cc1ccsc1C(=O)N1CC(C(=O)NC(Cc2ccccc2)C(=O)N2CCCCC2)C2(CC[NH2+]CC2)C1,0
+Cc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3ccn12,1
+O=c1[nH]c(=O)c2ncn(S(=O)(=O)c3ccc(F)cc3)c2[nH]1,0
+CNC1=C([N+](=O)[O-])CC([N+](=O)[O-])=C(N2CC[NH2+]CC2)N1C,0
+CC[NH+]1CCc2c(sc(-n3cccc3)c2C(C)NC(=O)Nc2cccc3c2CCCC3)C1,0
+COc1ccc(-c2csc3c2C(=O)NC(=C2N=C[NH+]=N2)N3)cc1,0
+COc1ccc(NC(=O)c2oc3c(c2C)C(=NNC(N)=[NH2+])CC(C)(C)C3)c([N+](=O)[O-])c1,0
+COc1ccccc1C(CNC(=O)NCc1ccsc1)[NH+]1CCCC1,0
+Cc1cc(F)ccc1S(=O)(=O)NCC(O)CN1CCCC2(CCN(c3ncnc(N)c3C3CC3)C2)C1,1
+CCC[NH2+]C(C)(CCSc1ccc2c(c1)CCC2)C(N)=O,0
+Clc1c[nH]c2ncnc(N3CCC4(CCNCC4)C3)c12,1
+C[NH+](C)Cc1ccc(C[NH2+]CC(O)COC2CCCc3ccccc32)cc1,0
+OCCN(CCO)c1cc(C=Cc2c3ccccc3cc3ccccc23)[nH+]c2ccccc12,0
+CNC(=O)C1CCC[NH+]1C(CN)c1cc(Br)cs1,0
+Cc1ccc(C(=O)NC(=Cc2ccc(Br)cc2)C(=O)NCCC2=c3ccccc3=[NH+]C2)cc1,0
+O=C(C=Cc1ccc(-c2ccc(Cl)cc2)o1)NC(=S)Nc1cccc(NC(=O)c2ccco2)c1,0
+O=C1NC(C[NH+]2CCCCC2)C(=O)NC1C[NH+]1CCCCC1,0
+CCCC(C)[NH+](C)CC(=O)Nc1c(N)cc(Cl)cc1Cl,0
+O=C(C1=c2ccccc2=[NH+]C1)N1CCN(C2C=NN(c3ccccc3)C(=O)C2Cl)CC1,0
+CC1(C)Cc2c(c(N3CCOCC3)[nH+]c3sc4c(NCC[NH3+])ncnc4c23)CO1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cccc(O)c1,1
+CCCC[NH+]1Cc2cccc(NC(=O)C(=O)NC(C)C(=O)NCC)c2C1,0
+CC[NH2+]C(COc1c(Br)cc([N+](=O)[O-])cc1Br)C(N)=O,0
+CNC(=O)c1cccc(NC(=O)C(=O)NCCC[NH+]2CCCC(C)C2)c1C,0
+CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C)c3)cn2CC2CNC2)CC1,1
+COc1ccc2c(c1)=C(CCNC(=S)Nc1cccc(C)c1)C(C)[NH+]=2,0
+Cc1ccc(S(=O)(=O)NC2(c3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CCC2)cc1,1
+CCCCC(=O)N1CC(C(=O)NC(C)CCCC(C)(C)O)C2(CC[NH2+]CC2)C1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cccc2occc12,1
+COc1cc(-c2cn[nH]c2)ccc1NC(=O)C1COc2ccccc2O1,1
+C[NH+](C)CCCN1C(=O)C(=O)C(=C(O)c2ccc3c(c2)OCCO3)C1c1ccc(Cl)c(Cl)c1,0
+CCN(CC)S(=O)(=O)N1CCN(C(=O)NCC(C2=c3ccccc3=[NH+]C2)C2CC=CS2)CC1,0
+CC(=O)N1CCc2c(sc(NC(=O)C(C)[NH3+])c2C(=O)c2ccccc2Cl)C1,0
+Nc1nc(N)nc(COC(=O)CCC2=c3cc(F)ccc3=[NH+]C2c2ccc(F)cc2)n1,0
+OC(Cc1ccccc1)C[NH+](Cc1ccccc1Cl)CC1CC(c2ccccc2Cl)=NO1,0
+O=C(CC1=c2ccccc2=[NH+]C1)NNC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1,0
+NS(=O)(=O)c1ccc(NCc2ccc(O)cc2O)cc1,0
+Cc1cc(NCCCCCCNc2cc(C)[nH+]c3cc(N(C)C)ccc23)c2ccc(N(C)C)cc2[nH+]1,0
+O=C(NNc1ccc(OCC(F)(F)F)cc1)Nc1ccc(N2CCCC2)[nH+]c1,0
+CNC(=O)c1ccc(NC(=O)NCCCC[NH+]2CCCC(C)C2)c(C)c1,0
+Cc1nsc(NC(=O)c2cc(Cl)c(Cl)n2C)c1C(=O)[O-],0
+CC([NH3+])C(N1CCNC(=O)C1)C(F)(F)F,0
+O=C(CCCn1[se]c2ccccc2c1=O)NC1OC(CO)C(O)C(O)C1O,1
+O=C(C[NH+]1C2CCCC1CC(NC(=O)C1CCCCC1)C2)Nc1ccccc1C(F)(F)F,0
+CCCNC(=O)C(C)[NH2+]Cc1cc(Br)c(OCC)c(Br)c1,0
+O=C(Nc1cccc(Br)c1)C(=CC1=c2ccccc2=[NH+]C1)NC(=O)c1ccccc1,0
+Cc1ccc(CC2CCC[NH+](CC(=O)NC3CCCCNC3=O)C2)cc1,0
+C[NH+](C)CCC[NH+]=C([S-])NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1,0
+CC1(C)CC(NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)CC(C)(C)[NH2+]1,0
+O=C(NC1Nc2ccc(NC(=O)C3C=c4cc(Cl)ccc4=[NH+]3)cc2S1)c1ccccc1,0
+CC1=C(C(c2cccc(O)c2)c2c(C)nn(-c3ccc(C)cc3)c2O)C(O)N(c2ccc(C)cc2)N1,0
+NC1(C(=O)NC(CCO)c2ccc(Cl)cc2)CCN(c2nc[nH]c3nccc2-3)CC1,1
+CSCCC(NC(N)=O)C(=O)NCC1CCC[NH+]1CC1CCCCC1,0
+O=C(C[NH2+]CC1CCCO1)Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1F,0
+CC(C(=O)Nc1c(N)cc(Cl)cc1Cl)[NH+]1CCCC1(C)C,0
+Cc1cc(Br)cc(C)c1NS(=O)(=O)CCC[NH3+],0
+CCNc1nc(Nc2ccc(NS(=O)(=O)c3ccc(OC)c(C)c3C)cc2)cc(C)[nH+]1,0
+Cc1cccc(C)c1NC(=O)C[NH+](C)CC(=O)Nc1ccccc1Sc1ccccc1,0
+Cc1c[nH]c2ncnc(N3CCC(NC(=O)c4ccccc4)C3)c12,1
+COc1ccc2c(c1)=C(CCN(Cc1ccco1)C(=S)NCCc1ccccc1)C(C)[NH+]=2,0
+CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[NH+](C)C3)cc1,0
+Cc1cccc(CN2C(=O)OC(c3ccc(NC(=O)c4ccco4)cc3)C2C(=O)N(C)Cc2ccccc2)c1,0
+CCCC(=O)Nc1cccc(NC(=O)NCCCC[NH+]2CCCCC2C)c1C,0
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1cccc2ccccc12,1
+NC1(c2ccc(-n3c(-c4ccccc4O)nc4ccc(-c5ccccc5)nc43)cc2)CCC1,1
+CC(C)c1ccc(NC(=O)Nc2ccc(N3CC[NH+](Cc4ccco4)CC3)[nH+]c2)cc1,0
+NC(COc1cncc(C=Cc2ccncc2)c1)C(c1ccccc1)c1ccccc1,1
+CNC(=O)Nc1ccc(CNc2c(C(=O)Nc3ccc(SC(F)(F)F)cc3)cnn2C)cn1,1
+C=CCNC(=O)COc1c(Br)cc(CC(C)[NH3+])cc1OC,0
+NC(=O)c1ccc(N2CCN(c3cccc(F)c3)CC2)c2cncnc12,1
+C[NH+](C)CC(C)(C)CNC(=O)C1CN(C(=O)CCCc2ccccc2)CC12CC[NH2+]CC2,0
+CCCOC(=O)c1ccc(Oc2c(C)oc3c(CN4CCN(c5cccc[nH+]5)CC4)c(O)ccc3c2=O)cc1,0
+COc1ccc(C=CC(=O)NC(=S)Nc2ccc(S(=O)(=O)NC(N)=[NH2+])cc2)cc1,0
+C[NH+]1CCC(NC(=O)Cc2cccc(Br)c2)(C(N)=S)CC1,0
+Cc1ccc(C(=O)NCCC(=O)N=C2NCCS2)c(O)c1,0
+CC1(C)CC(NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC(C)(C)[NH2+]1,0
+NS(=O)(=O)c1ccc(NC(=O)CC[NH+]2CCCC2c2ccc(F)cc2)cc1,0
+NC1(Cc2ccc(Cl)cc2Cl)CCN(c2ncnc3[nH]ccc23)CC1,1
+CC([NH3+])C(c1cc(Br)cs1)N1CCNC(=O)C1,0
+NC(=O)Nc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+COC(=O)C=Cc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+CC[NH2+]C(C)(CCSc1ccc(C(C)(C)C)cc1)C(N)=O,0
+CN(C(=O)c1c(O)cccc1O)C(C(=O)NC(C)(C)CC(C)(C)C)c1cc([N+](=O)[O-])ccc1Cl,0
+CCC(C)CNC(=O)C1CSC2(CCN(C(=O)C3CCCCC3)CC2)[NH2+]1,0
+COc1c(Br)cc(Cl)cc1S(=O)(=O)NC1CC1[NH3+],0
+CC(C)(C)C1CCc2sc(C(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)cc2C1,0
+CCOC(=O)C([NH3+])Cc1cc(I)cc(I)c1O,0
+Cc1cc(C(=O)NNC(=O)c2oc(Br)cc2C)c(C)o1,0
+CCOc1ccccc1C1NC(SCC(=O)N2c3ccccc3CCc3ccccc32)=NC(N)=[NH+]1,0
+CC(C)CCC(=O)NNC(=O)NCCC[NH+]1CCCC1C(=O)N(C)C,0
+COc1ccc(Nc2nc(N)nc(CSC(=S)N3CC[NH+](C)CC3)n2)cc1,0
+CC([NH2+]CC1(c2ccc(Cl)cc2)CCOCC1)C(=O)Nc1ccccc1,0
+CCOc1cc(C2C(C#N)=C(N)Oc3ncnc(O)c32)ccc1OC,0
+O=C(NCC(c1ccsc1)[NH+]1CCCC1)Nc1ccc(Cl)c(Cl)c1,0
+COc1ccc(OC)c(-n2c(O)nc(O)c(C3c4[nH]c5ccccc5c4CC[NH+]3C)c2=O)c1,0
+COc1cc2cc(COCc3c(-c4ccc(F)cc4)nc(N(C)S(C)(=O)=O)nc3C(C)C)oc(=O)c2cc1OC,1
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(c5nnc(N)s5)CC4)cc3)nc2n1,1
+OC(C[NH2+]CC(C1=c2ccccc2=[NH+]C1)c1ccccc1)COc1ccccc1F,0
+Cc1ccc(NC(=O)NCC2CCC[NH+](CC(=O)NC(c3ccc(C)cc3)c3cccs3)C2)cc1,0
+O=C(C[NH2+]CCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc([N+](=O)[O-])cc1,0
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(c5nnc(-c6ccccn6)[nH]5)CC4)cc3)nc2n1,1
+Cc1n[nH]c(=O)c2c(NC(=O)C[NH2+]C(c3ccc(F)cc3)C(C)C)oc(C)c12,0
+NC(=O)CCC(C(=O)[O-])N1C(=O)C(=CC2[NH+]=c3ccccc3=[NH+]2)SC1=S,0
+CCN(CC(F)(F)F)c1ccc(C(N)=[NH2+])c(C(F)(F)F)c1,0
+O=C(C=CNc1ccc(Cl)cc1Cl)C1=NOC(CNc2[nH+]cc(C(F)(F)F)cc2Cl)C1,0
+Cc1cc(C)c(NC(=O)CNC(=O)NCC(C)(C)[NH+]2CC(C)CC(C)C2)c(C)c1,0
+CC1=C(NC(=O)C(=O)NCCC2=c3cc(F)ccc3=[NH+]C2C)C(C)N(C)N1,0
+NC1(c2ccc(-c3nn4c(-c5ccc(F)cc5)c(Br)nc4cc3-c3ccccc3)cc2)CCC1,1
+NC1(c2ccc(-c3nc4nc(Oc5ccccc5)ccn4c3-c3ccccc3)cc2)CCC1,1
+CCOc1cccc(C2CC(c3cccc(OC)c3)=NC(c3cccc(OC)c3)[NH2+]2)c1O,0
+COc1ccc(C(O)C[NH2+]C2CCCc3sccc32)cc1,0
+COc1cc(C2C(C#N)=C(N)Oc3n[nH]c(-c4cc(OC)c(OC)c(OC)c4)c32)cc(OC)c1O,0
+Cc1cc(C(=O)N2CC(C(=O)NC(C)CCCC(C)(C)O)C3(CC[NH2+]CC3)C2)ccc1F,0
+CC(C)c1ccc(C[NH+](CC(O)COc2ccccc2Br)CC2CCCO2)cc1,0
+C=CC[n+]1c(N)c(C(=O)Nc2cc(C)on2)cc2c(=O)n3ccccc3nc21,0
+CC1=NC(CC[NH2+]CC2CN(c3ccc(F)cc3)NC2c2ccccc2Cl)N=C1,0
+CN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21,0
+CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[NH+](C)C3)cc1,0
+COc1ccccc1C(=O)N1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+Cc1cccc(NC(=O)CN2CC[NH+](C(C)C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)c1C,0
+CC1Cc2cc(F)ccc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)[nH]1,1
+CC(NC(=O)C1CC(O)C[NH2+]1)c1ccc(Br)cc1,0
+Cc1ccccc1NC(=O)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+Cc1ccc(C(CNC(=O)Nc2ccc(OCC(N)=O)cc2C)[NH+](C)C)cc1,0
+NC(=O)c1c(NC(=O)c2cc(=O)c3ccccc3o2)sc2c1CCCC2,0
+CCn1c(-c2nonc2N)nc2cncc(C(=O)N3CCC(N)C3)c21,1
+Cl.Cn1nccc1-c1ccc(C(=O)NC2CNCCC2c2cc(F)cc(F)c2)c(F)c1,1
+Cc1ccc2[nH]cc(CC[NH2+]C3CC(=O)N(c4cc(Cl)cc(Cl)c4)C3=O)c2c1,0
+CSc1nc(NCCCC[NH3+])c2sc3nc(C(C)C)c4c(c3c2n1)CCC4,0
+CCc1cc(C2[NH+]=NC=C2c2ccc3c(c2)OCO3)c(O)cc1OC1OC(CO)C(O)C(O)C1O,0
+O=C(CSCc1cccc(Br)c1)NNC1=c2ccccc2=[NH+]C1=O,0
+CC(C)NC(=O)c1cccc(C[NH2+]CC2=Cc3cc(Cl)ccc3OC2)c1,0
+Cc1ccc(C[NH+](C)C(C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,0
+O=C1N=CN=C2C1=NC(N1CC[NH2+]CC1)N2C1OC(CO)C(O)C1O,0
+CN(Cc1cc(Br)cs1)c1ccc(C(N)=[NH2+])cc1F,0
+CCCC(O)C[NH+](Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1,0
+CC[NH2+]C(C)c1ccc(NC(=O)Nc2ncc(Br)s2)cc1,0
+CC1CC(C)C[NH+](CC(C)NC(=O)NNC(=O)Cc2ccc(F)cc2)C1,0
+COc1cc(C2N=C(O)c3c(sc4c3CC[NH+](C)C4)N2)cc(OC)c1O,0
+O=C(C[NH2+]C(Cc1ccccc1)c1ccccc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1,0
+CC(C)(C)[NH+]=C(N)SCCCOc1ccc(S(C)(=O)=O)cc1,0
+NC(COc1cncc(-c2ccc3[nH]nc(-c4cccs4)c3c2)c1)Cc1c[nH]c2ccccc12,1
+CC[NH+](CC)CCNc1nc(Nc2ccc(SC(F)F)cc2)c2cnn(-c3ccccc3)c2n1,0
+NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,1
+Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(Cl)c4)cn3CCN3CCCC3)CC2)c1C1CCC1,1
+CC(=NNc1nnc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1N)c1ccc2c(c1)OCO2,0
+NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccncc3-4)cc2)CC(O)(C2CC2)C1,1
+NC(=O)C1([NH+]2CCCCC2)CCN(C(=S)NCc2ccco2)CC1,0
+O=C1NCN(c2ccccc2)C12CCN(Cc1ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc1)CC2,1
+O=C(C[NH2+]C1CCCCC1)Nc1ccc(C(=O)NCc2ccco2)cc1,0
+CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C)c3)cn2CCN(CC)CC)CC1,1
+Cc1cc(C)c2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2CC(O)C[NH2+]CCCO,0
+CC(C)CC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)C(=O)NO.Cl,1
+CCC([NH3+])CN1C(=O)NC(C)(c2ccc(OC(C)C)cc2)C1=O,0
+Nc1ncnc(N2CCC(c3nc(-c4ccc(Cl)cc4)cn3CCN3CCCC3)CC2)c1C1CCC1,1
+COc1cc(C(=O)N2CCC(C(=O)NCCC3=c4cc(F)ccc4=[NH+]C3C)CC2)cc(OC)c1OC,0
+O=C([O-])c1c(O)c(C[NH+]2CCCCC2)cc(O)c1C[NH+]1CCCCC1,0
+Cc1ccccc1C[NH+](C)C(C)C(=O)NC(C)c1ccc(S(N)(=O)=O)cc1,0
+Cc1ccc2c(c1)C(O)CC1(CC[NH+](CC(O)c3ccc4c(c3)CC(C)O4)CC1)O2,0
+CN(C(=O)Nc1cccc(C[NH+]2CCCC2C(N)=O)c1)C(C1CC1)C1CC1,0
+COc1ccc(Nc2ccc(N)cc2C(N)=O)c(C)c1,0
+Cc1cccc(CNC(=O)C2C[NH2+]CC2C(=O)NC2CCCc3ccccc32)c1,0
+CCC(C)[NH+](C)CCNC(=O)NCC(=O)Nc1ccc(Br)cc1C,0
+CC(C)[NH+](CCCO)Cc1c(N)cccc1Br,0
+COc1cccc(-n2c(=O)[nH]c(O)c(C3[NH2+]CCc4c3[nH]c3ccc(OC)cc43)c2=O)c1,0
+CC(OC(=O)CCCC1=c2ccccc2=[NH+]C1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,0
+CC(C(=O)Nc1c(F)cccc1F)[NH+]1CC=C(c2ccc(O)cc2)CC1,0
+CC(C)=CCc1c(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O,1
+Cn1nc(Br)nc1N1CCCCC1,0
+CC(C(=O)Nc1cccc(C(F)(F)F)c1)[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1,0
+CC(C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CC[NH+](Cc2cccs2)CC1,0
+CCN(c1nc[nH+]c(NN(c2ccccc2)c2ccccc2)c1N)c1cccc2ccccc12,0
+CCC(NC(=O)NC(C)(C)C(=O)[O-])C(C)C,0
+CCc1ccccc1Nc1[nH+]cnc(N2CCCc3ccccc32)c1N,0
+CC(C)NS(=O)(=O)c1ccc(NC(=O)C(C)[NH2+]C(c2ccccc2)c2ccccc2)cc1,0
+NCCCC(NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1,1
+C=Cc1cccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12,1
+CC(=O)NC(CC1=c2ccccc2=[NH+]C1)C(=O)NCC(c1cccs1)N1CCOCC1,0
+CC1NN(CC(=O)NCC2[NH+]=c3ccccc3=[NH+]2)C(C)C1Cl,0
+CCCc1ccc(C(C)[NH2+]CC(=O)N=c2[nH]c(-c3ccc(Br)cc3)cs2)cc1,0
+Nc1ncccc1-c1nc2ccc(-c3cccnc3)nc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,1
+O=C(C[NH+]1CCCC1c1ccc2c(c1)OCCCO2)Nc1ccccc1I,0
+NCC(NC(=O)c1ccc(-c2ccnc3[nH]ccc23)s1)c1ccccc1,1
+CCC[NH+](Cc1cc(OC)cc(OC)c1)Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1,0
+Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=S)NC3CCCC(C)C3C)cc12,0
+CC[NH2+]CCCNCc1cc(Br)c(OCc2ccc(Cl)cc2)c(OCC)c1,0
+COc1cccc(N2C(=O)C(C3NCCC4=c5ccccc5=[NH+]C43)C(O)=NC2O)c1,0
+CC(O)(c1ccc(Br)cc1)C(C[NH2+]CCCCO)c1ccccc1,0
+CC(C)Cc1ccc(C(CNBr)N2CC[NH2+]C(O)C2)cc1,0
+Cc1[nH+]cc(-c2ccc(NC(=O)C(=O)NCCC[NH+]3CC(C)CC(C)C3)cc2)o1,0
+CCOc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(Cl)c3)cn2CCN2CCCC2)CC1,1
+N#CCSc1ccccc1NC(=O)CNc1ccccc1[NH+]1CCC(O)CC1,0
+CN(C)CCN1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccc(N)nc7)[nH]6)CC5)cc4)nc3n2)CC1,1
+CC(C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1,0
+COc1cc(CN2C(=O)NC(=O)C(C3NCCC4=c5cc(OC)ccc5=[NH+]C43)C2O)cc(OC)c1,0
+Cc1c(Cl)cccc1NC(=S)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1,0
+COc1ccc2c(c1)=[NH+]CC=2CCNC(=O)CSC1N[NH2+]NN1c1ccccc1Cl,0
+CC[NH+]1CCc2c(sc(-n3cccc3)c2C(C)NC(=O)Nc2cccc(C)c2C)C1,0
+O=C(C[NH+]1CCCCCCC1)Nc1ccc(NC(=O)c2ccc[nH]c2=S)cc1,0
+COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)C[NH2+]CCc2ccccc2)cc(OC)c1,0
+CCC(N)C(c1sccc1C)[NH+](C)Cc1csc(Br)c1,0
+Nc1nc2c(c(=O)[nH]1)N=C(COP(=O)([O-])OP(=O)([O-])[O-])CN2,0
+C[NH+](CCc1ccc(F)cc1)CC(=O)Nc1sc2c(c1C(N)=O)CCC2,0
+Cc1ccc(C=C(NC(=O)c2cccc(C)c2)C(=O)NCCC2=c3ccccc3=[NH+]C2)cc1,0
+CCOC(=O)C1=C(C[NH+]2CCCN(C(=O)C3CCC3)CC2)N(CC)C(=O)NC1c1ccc(C)cc1C,0
+c1ccc(-c2cc(C3CCN(Cc4ccc(-c5nc6ncccc6cc5-c5ccccc5)cc4)CC3)n[nH]2)cc1,1
+O=C(CN1CC[NH+](CC(=O)Nc2ccccc2)CC1)NC(=O)NCCC1=CCCCC1,0
+C[NH+]1CCN(C2C(CNS(=O)(=O)c3ccc(Cl)cc3)OC(CO)C2O)CC1,0
+CN(C1CC1)S(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3c(Cl)cccc3s2)cc1,0
+CCCC(C)C(=O)N1CC(C(=O)NC2CCCC(C)C2C)C2(CC[NH2+]CC2)C1,0
+O=C(C[NH+]1CCCC1C(=O)Nc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1,0
+COc1cccc(N(C)C(=O)c2nc(NN)ccc2Cl)c1,0
+CC1N=C(c2ccc(I)cc2)C2C(c3ccc([N+](=O)[O-])cc3)N12,0
+CC(C)C[NH2+]CC(=O)N=c1[nH]c(-c2ccc(Cl)cc2)cn1-c1ccc(F)c(Cl)c1,0
+CC(C)c1cccc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1,1
+CC1(C)C([N+](=O)[O-])C(c2ccc(Br)cc2)[NH2+]C(c2ccc(Br)cc2)C1[N+](=O)[O-],0
+CC(C)[NH+](CCNC(=O)c1ccc(N=C2NC3CS(=O)(=O)CC3S2)cc1)Cc1ccco1,0
+CCC([NH3+])C(Oc1ccccc1C(N)=O)c1cc(Br)cs1,0
+C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)CSc3n[nH]c(NN=Cc4ccco4)n3)cc2)CC1,0
+C[NH+]1CCCCC1CNS(=O)(=O)c1ccc(N)cc1Br,0
+NC1(c2ccc(-c3nc4c5cc(F)ccc5nn4cc3-c3ccccc3)cc2)CCC1,1
+CCC[NH+](C)CC(=O)Nc1ccc(N)cc1Br,0
+CC(C(=O)Nc1ccccc1F)[NH+]1CCC(C(O)c2ccc(Cl)cc2)CC1,0
+CCc1c(C)nn(-c2ccc(S(=O)(=O)NC)cc2N)c1C,0
+CCOc1c(Br)cc(C2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)cc1OC,0
+COc1ccc2c(c1)=C1CCNC(C3C(=O)NC(=S)N(Cc4ccccc4)C3O)C1[NH+]=2,0
+CC1CC(C)C[NH+](CC(C)NC(=O)NNC(=O)C2CCS(=O)(=O)C2)C1,0
+Cc1cc(C)c(CNC(=O)NCC(C)(C)[NH+]2CC(C)CC(C)C2)c(=O)[nH]1,0
+CC(=O)NCC1CC[NH+](C(C)C(=O)NC(=O)NC(C)(C)C)CC1,0
+Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CCN3CCC3)CC2)c1N,1
+Cn1ncc(Cl)c1-c1csc(C(=O)NC2(c3ccc(F)cc3)CCNCC2)c1,1
+Cc1cc(C(=O)NNC(=O)C=CC(=O)[O-])cs1,0
+Cc1ccc(N2C(=S)NC3C(O)C(O)CC(C(=O)NCc4cccs4)C32)cc1Cl,0
+Cc1cc(NC(=S)NC(=O)COc2ccccc2[N+](=O)[O-])ccc1NC(=O)c1cc2ccccc2o1,0
+COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3C)cc2)c1,1
+CCCCC(C)C(=O)N1CC(C(=O)NC(C)CCCC(C)(C)O)C2(CC[NH2+]CC2)C1,0
+Cc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)n2)cc1,0
+O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4cc5[nH]cnc5cc4nc3-c3ccccc3)cc2)CC1,1
+CC(NC(=O)C(=O)Nc1ccc(CC(N)=O)cc1)c1ccc2c(c1)CCCC2,0
+CC(c1nc(N)nc(Nc2ccccc2)n1)[NH+](C)Cc1ccc(F)cc1F,0
+COc1ccc(C[NH2+]CCN2CCCC2)c(OCC(O)C[NH+]2CCCCCCC2)c1,0
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(c5nnc(N)s5)CC4)cc3)nc2n1,1
+CCC1(c2ccc(Cl)c(C)c2)NC(=O)N(CCC(=O)[O-])C1=O,0
+Cc1ccc2c(n1)-c1nc(-c3ccc(C4(N)CC(C)(O)C4)cc3)c(-c3ccccc3)n1CO2,1
+C[NH+](C)CCN(C(=O)C1CCCN1S(=O)(=O)c1cccs1)c1nc2c(Cl)cccc2s1,0
+CC1CN(c2nc(Nc3cc[nH+]cc3)nc(NC3Cc4ccccc4C3)n2)CC[NH2+]1,0
+Cc1[nH+]c2ccccc2c(C)c1CC(=O)Nc1cc(NC(=O)C[NH+]2CCCCC2C)ccc1F,0
+CC(C=Cc1ccccc1)=NNc1nc(SCC(=O)Nc2ccc(Br)cc2)n[nH]1,0
+CCc1ccc(NC(=O)c2cc3cccc(OC)c3oc2=[NH+]NS(=O)(=O)c2ccc(C)cc2)cc1,0
+CC(=O)N1CC[NH+](C(C)C(=O)Nc2sccc2C(N)=O)CC1,0
+CC(C)N(CCC(N)=S)S(=O)(=O)c1ccc(Cl)s1,0
+Cc1ccc(Cl)cc1NC(=O)C(C)[NH+]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1,0
+Cc1nn(C(c2ccc(Br)s2)C(C)[NH3+])c(C)c1C,0
+Oc1ccc2c(c1)C(O)CC1(CC[NH+](CC(O)c3ccc(Cl)cc3)CC1)O2,0
+NC(Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3cc(F)ccc23)CC1,1
+CCCc1ccc(C([NH2+]CC(=O)NN2C(=O)NC(C)(CC)C2=O)C(C)C)cc1,0
+C[NH+](C)CCCNC(=O)C1CN(C(=O)c2ccc3ccccc3c2)CC12CC[NH2+]CC2,0
+Cn1ncc(Cl)c1-c1cc(C(=O)NC2CNCCC2c2cccc(F)c2)sc1Cl,1
+O=C(NC1CCC(O)CC1)c1ccc2c(c1)Cc1c(-c3ccc(-c4ccc(O)cc4)cc3)n[nH]c1-2,1
+CCOc1ccccc1CCNC(=O)C1CN(C(=O)c2csc3ccccc23)CC12CC[NH2+]CC2,0
+CC(C)[NH+](CCNC(=O)C1CN(C(=O)C2COc3ccccc3O2)CC12CC[NH2+]CC2)C(C)C,0
+COc1ccc(NC2[NH+]=c3ccccc3=[NH+]C2=NS(=O)(=O)c2ccc(C)c(C)c2)cc1Cl,0
+COC(=O)Nc1cc(NC(=O)N2CCCSCC2)ccc1F,0
+CC(c1nc2cc(Cl)ccc2c(=O)n1C)N1CCN(C(=O)C2CCCC2)CC1,0
+[NH2+]=C1Nc2nc3cc4c(cc3n2C(c2ccccc2OC(F)F)N1)OCCCO4,0
+O=C1NCC(CCC(=O)N2CCCCC2)[NH+]2CC(NC(=S)Nc3ccc(Cl)cc3)CC12,0
+CSCCC([NH3+])C(=O)N1CCC(C(=O)NC(C(=O)NC(C)c2ccccc2)C(C)C)CC1,0
+Cc1ccc(S(=O)(=O)N[NH+]=c2oc3ccccc3cc2C(=O)Nc2ccc(C)c(Cl)c2)cc1,0
+OCC1OC(n2c(C(F)(F)F)nc3cc4ccccc4cc32)C(O)C1O,0
+COC(=O)c1ccccc1N(C)c1[nH+]cnc(Nc2ccc(Br)cn2)c1N,0
+CC[NH+]1CCN(CC(O)COc2ccc(C[NH2+]CC(C)(C)OC)cc2OC)CC1,0
+CCCCc1c(C)nc(N)nc1N1N=C1SSC1=[NH+]N1c1nc(N)nc(C)c1CCCC,0
+CC(C(=O)Nc1c(Cl)cc(N)cc1Cl)[NH+](C)C1CCSC1,0
+CCC(CC)NC(=O)C1C[NH2+]CC1C(=O)NC1CCCc2ccccc21,0
+CC(Sc1nnc(C(C)[NH+](C)C)n1-c1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl,0
+Cc1cc(S(=O)(=O)N2CCc3cc4c(cc3C2)OCO4)ccc1F,0
+O=C(NCCn1cc[nH+]c1)NCC1CCC[NH+]1CC1CCCCC1,0
+O=C(NC(=S)NNC(=O)c1ccccc1Br)c1cccs1,0
+CC(C(=O)NC(=O)NC1CC1)N1CC[NH+](CC(=O)NC(C)(C)C)CC1,0
+Cc1cc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c2ccc(C(=O)[O-])cc2[nH+]1,0
+Cc1occc1-c1nc(N)c(OCC(N)Cc2c[nH]c3ccccc23)cc1-c1cnc2[nH]nc(C)c2n1,1
+N#Cc1ccc2nc(C3CCN(Cc4ccc(-c5nc6ccnn6cc5-c5ccccc5)cc4)CC3)[nH]c2c1,1
+COc1ccc(C)cc1NC(=O)C[NH2+]C(c1ccc(F)cc1)c1cccs1,0
+CC(C)(C)NC1=NNC(=c2ccc3c(c2)OC(=O)N=3)CS1,0
+CC([NH3+])CCNS(=O)(=O)c1cc(Br)sc1Br,0
+CCc1cccc2c1NC(=O)C21[NH2+]C(CCC(N)=O)C2C(=O)N(CCc3ccccc3)C(=O)C21,0
+CC([NH3+])C(Sc1n[nH]c(=O)n1C(C)C)c1cc(Br)cs1,0
+NC(=[NH2+])c1ccc(SCC2CCCC2)cc1C(F)(F)F,0
+COc1ccccc1COCC(O)C[NH2+]CC1([NH+]2CCCCC2)CCCCC1,0
+CN(C)c1ccc(NC(=O)NCC2(O)CCCc3ccccc32)c[nH+]1,0
+O=C(C[NH2+]CCNc1ccc([N+](=O)[O-])cc1Cl)NNC(=O)c1cccc([N+](=O)[O-])c1,0
+CC12CCCC3(CO3)C1CC1C(C2)OC(=O)C1C[NH+]1CCN(C(O)(c2ccccc2)c2ccccc2)CC1,0
+COc1ccc(C)cc1C(C)NC(=O)NCc1cc[nH+]c(N2CC[NH+](C)CC2)c1,0
+CCN(c1cccc(C)c1)c1[nH+]cnc(Nc2ncc(C(F)(F)F)cc2Cl)c1N,0
+CC(O)CN(CC(C)O)C(=O)c1ccc(-c2ccc3c(c2)C(O)CC2(CC[NH+](C)CC2)O3)cc1,0
+O=C(NCCc1cccs1)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+CC(O)CN(CC(C)O)C(=O)c1ccc(-c2ccc3c(c2)C(O)CC2(CC[NH+](C)CC2)O3)cc1,0
+NC(=O)c1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(c5nnc(-c6ccccn6)[nH]5)CC4)cc3)nc2n1,1
+CN1C(=O)C2(CC(=O)Nc3c2cnn3C(C)(C)C)c2c(Cl)cccc21,0
+COc1cccc(C2[NH2+]C(C(=O)[O-])(c3ccccc3)C3C(=O)N(c4ccc(C(C)=O)cc4)C(=O)C23)c1O,0
+Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1,0
+CCOC(=O)C1=C(CSC(N)=[NH+]CC(C)C)NC(=O)NC1c1ccco1,0
+CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2ccccn2c1C(=O)NN=CC1=c2ccccc2=[NH+]C1,0
+CC(C)(C)CC[NH+]1CCN(C(=O)Nc2ccccc2CC(N)=O)CC1,0
+O=C(NNc1ccccc1)NN(c1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,0
+COc1ccc(CCC(=O)N2CC(C(=O)NCCOc3ccccc3Cl)C3(CC[NH2+]CC3)C2)cc1,0
+Cc1ccc(C(CNC(=O)N(C)Cc2cccc(C(N)=O)c2)[NH+](C)C)cc1,0
+CC12CCC(C(Sc3nnc(CNC(=O)C45CC6CC(CC(C6)C4)C5)n3C3CCCCC3)C1=O)C2(C)C,0
+CC(C)C(NC(=O)C1CC=CS1)C(=O)NCCC1=c2ccccc2=[NH+]C1,0
+CCN(C)C(C[NH3+])c1cc(Br)c2c(c1)OCCCO2,0
+CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,1
+COC(=O)c1ccc(-c2noc(CC3OC(CNC(=O)NC(C)C)C(O)C3O)n2)cc1,0
+COC(=O)COc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+CC1CCCCC1[NH+](C)CC(=O)Nc1ccc(N)cc1Cl,0
+COc1cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1c(Cl)cccc1Cl,0
+CCNC(=O)C(C)NC(=O)NCC1CCC[NH+]1CC1CCCCC1,0
+Cc1cc(C(C)[NH2+]CC(=O)Nc2cccc(Br)c2)c(C)o1,0
+CC(C)(CO)NC(=O)C1CC2CCCCC2C[NH+]1CC(O)C([NH3+])CSc1ccccc1,0
+CC[NH+](CC)CCNC(CC)(C(N)=O)c1ccc(Br)cc1,0
+Nc1ccc(C2OC3CC(=O)OC3C3=C2C(=O)c2ccccc2C3=O)cc1,1
+CC(C)NC(=O)C1CC(Sc2ccc(F)cc2)C[NH+]1Cc1ccccc1O,0
+C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[NH+](CC)C3)cc1,0
+CCCN(CC(=O)NC)C(c1cc(Br)cs1)C(C)[NH3+],0
+O=C(COC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)Nc1ccc2c(c1)OCCCO2,0
+COc1cc(C[NH2+]Cc2ccccc2)cc(Br)c1OCC(O)c1ccc2c(c1)OCCO2,0
+CCCCn1c(N)c(N(C(=O)C[NH+]2CCCC2c2cccc(OC)c2)C2CCCC2)c(=O)[nH]c1=O,0
+COCCNC(C[NH3+])c1cc(Br)c(Br)o1,0
+CC(=O)c1cc(CN(CC[NH+]2CCCCC2)CC2CCC[NH+](C3CCCC3)C2)cs1,0
+CC(C)[NH2+]C1CC(C)(C)C2CC(C)(O)CCC12CCC(=O)NC1CC1,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4cccc(I)c4)c3)cc12,1
+CC1CC[NH+](C(CNC(=O)NCCc2ccc(S(N)(=O)=O)s2)c2cccs2)CC1,0
+COc1ccc(C2C3[NH+]=c4ccc(Cl)cc4=C3CCN2C(=O)Nc2cc(C)ccc2OC)cc1,0
+CCCNC1C(=O)N(CC(N)=O)c2c(C)cc(Br)cc21,0
+Cc1c(N)cccc1NC(=O)CCC[NH+](C)C1CCSC1,0
+NC(=O)C(SC1NN=C(C2=c3ccccc3=[NH+]C2)O1)c1ccc(F)cc1,0
+COc1cc(OC)c(NC(=O)Nc2cccc(C3C=c4ccccc4=[NH+]3)c2)cc1Cl,0
+CCC[NH+]1CCc2c(sc(NC(=O)Cc3cccs3)c2C(N)=O)C1,0
+c1coc(CN2C(Cc3cccs3)NNC2SCC2[NH+]=c3ccccc3=[NH+]2)c1,0
+CC(Oc1ccc(Br)cc1)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CC[NH+](C)CC2)cc1,0
+O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccc(F)c(F)c1,1
+C#CCNC(=O)CCNC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1,0
+NC(CNc1nnc(-c2ccc3[nH]nc(-c4ccccc4)c3c2)s1)Cc1cccc(C(F)(F)F)c1,1
+CC[NH2+]C(C)c1ccc(N(CCO)C2CC2)c(Br)c1,0
+COc1ccccc1SC(c1ccc(Br)s1)C(C)[NH3+],0
+Cc1ccc(CNC(=O)CSc2nc3n[nH]c(C)c3c(=[NH2+])n2-c2ccc(C)cc2)cc1,0
+CSc1ccc(Nc2cc(N)cc(S(N)(=O)=O)c2)cc1,0
+CCOC(=O)C1=C(C[NH+]2CCCN(C(=O)CC)CC2)N(CC)C(=O)NC1c1cccc(Cl)c1Cl,0
+COc1cc2c(cc1OC)C(C)[NH+](CC(O)CNc1ccc(O)cc1)CC2,0
+Cc1ccsc1C(=O)NNC(=O)NCC(C)[NH+]1CCCC(C)C1,0
+C[NH+](C)CC(C)(C)C[NH2+]C(C)(C(=O)[O-])c1ccc(Br)cc1,0
+CC1CC1NC(=O)NC(C(=O)[O-])C(C)(C)C,0
+NS(=O)(=O)c1ccc([NH+]=c2oc3ccccc3cc2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1,0
+CC1CCCC([NH3+])C1C(=O)N1CCN(C(C)C)CC1,0
+Cc1nc2nc(-c3ccc(CN4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)c(-c3ccccc3)c(NC(C)C)n2n1,1
+CC(C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[NH+](C(C)C(=O)NC2CC2)CC1,0
+CC(NC(=O)C1CC(O)C[NH2+]1)c1ccc(Br)cc1,0
+C[NH+](C)C(CNC(=O)Nc1ccc(NC(=O)C2CCCO2)cc1)c1cccs1,0
+COc1ccc(C2=NC(c3ccc(Br)cc3)[NH2+]C(c3ccccc3O)C2)cc1,0
+COc1ccc(S(=O)(=O)N(CCC(C)C)Cc2c(C)nn(-c3ccccc3)c2N2CC[NH+](C)CC2)cc1,0
+O=S1(=O)c2ccccc2Oc2ccc(-c3[nH+]c(-c4ccc(O)c(O)c4)[nH]c3-c3ccccc3)cc21,0
+CC(C(=O)Nc1nc2ccccc2s1)n1c(N)nnc1SCC#N,0
+CS(=O)(=O)c1ccc(Sc2ccc(C(N)=[NH2+])cc2Cl)cc1,0
+CCC(CC)C(=O)N1CC(C(=O)NC2C[NH+]3CCC2CC3)C2(CC[NH2+]CC2)C1,0
+COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3ccc(O)cc3)n2-c2ccc(C)cc2)cc1,0
+CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[NH+](C(C)C)C3)cc1,0
+Cn1nc(NC(=O)c2ccccc2Cl)c2c1NC(=O)CC2c1ccco1,0
+CC[NH+]1CCN(Cc2c(O)cc(C)c3c2OC(=Cc2c(F)cccc2Cl)C3=O)CC1,0
+CNS(=O)(=O)c1cccc(C(C)[NH2+]Cc2cc(Br)ccc2O)c1,0
+CC(C)CC([NH3+])c1nc(C(=O)NC2c3ccccc3-c3ccccc32)co1,0
+CC(=O)c1ccccc1NC(=O)COC(=O)c1sc2[nH+]c(C)cc(C)c2c1N,0
+CCC(=O)Nc1ccc(C(O)C[NH+]2CCC3(CC2)CC(O)c2cc(Cl)ccc2O3)cc1,0
+CC[NH+]1CCN(c2nc3sc4c(c3c(=O)n2CC(N)=O)CCCC4)CC1,0
+CC(C)C(NC(=O)C1CN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC12CC[NH2+]CC2)C(=O)NC(C)(C)C,0
+CC1CCC[NH+](CC(=O)NCc2ccc(NC(=O)NC(C)C)cc2)C1,0
+[NH3+]CC(=O)NC(Cc1ccccc1)C(=O)[NH+]=c1ccc2c(C(F)(F)F)cc(O)oc-2c1,0
+C[NH+](C)C1(CNCc2cc(Cl)cc(Cl)c2O)CCCCC1,0
+COc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(C[NH+](Cc3ccccc3F)CC(C)C)o2)cc1,0
+CCCCC(C)C(=O)N1CC(C(=O)NC(C)CCCC(C)(C)O)C2(CC[NH2+]CC2)C1,0
+CC(NC(=S)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1,0
+Cc1ccc(-c2cc(NC(=O)CSc3nn(-c4ccccc4)c(=S)s3)n(-c3ccccc3)n2)cc1,0
+C[NH+](CCCNC(=O)C(=O)Nc1sccc1C(N)=O)CC(F)(F)F,0
+CCCC([NH2+]Cc1ccc(-c2ccc(C(C)O)cc2)o1)c1ccccc1,0
+COc1cc2c(cc1OC)C1CC(=O)C3=C(CC(C)(C)CC3=O)N1CC2,0
+CC([NH2+]C1CCCNC1=O)C(=O)N1CCCCCC1,0
+COc1c(F)ccc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c1F,1
+Cc1cc[nH+]c(NC(c2ccccn2)c2c(C)[nH]c3ccc(NC(=O)c4ccco4)cc23)c1,0
+Cc1cc(O)oc2cc(=[NH+]C(=O)CCCCC3SCC4NC(=O)NC43)ccc1-2,0
+COc1ccc(C2C3=C(Nc4nnnn42)c2ccccc2OC3c2ccc(Br)cc2)c(OC)c1,0
+CC(C)NC(=O)Nc1ccc(CNC=C2C=c3ccccc3=[NH+]C2=O)cc1,0
+Cc1ccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(S(=O)(=O)c2ccc(F)cc2)CC3)cc1,0
+CC(C)(C)N1C(=O)C2C3CCC[NH+]3C3(C(=O)Nc4ccc(Br)cc43)C2C1=O,0
+CCC(CNC(=O)NCc1cc[nH]n1)[NH+]1CCc2ccccc2C1,0
+Cc1cc[nH+]c(NC(c2ccccc2)c2c(NC(=O)c3ccco3)sc(C)c2C)c1,0
+CNS(=O)(=O)c1ccc(C(C)NC(=O)NCCC[NH+]2CCCCC2C)cc1,0
+Cc1ccc(NCCNC(=O)Nc2cccc(Cl)c2C)n[nH+]1,0
+c1cc2[nH]ncc2cc1-c1cn(CC2CCOCC2)nn1,1
+COc1ccc(S(=O)(=O)NC(C)C(=O)Nc2nc(C[NH+]3CC(C)CC(C)C3)cs2)cc1,0
+CCNc1nc(SCC(=O)NC(=O)NC)nc2sc3c(c12)CC[NH+](C)C3,0
+C[NH+]1CCN(c2nc(N3CCN(c4ccccc4)CC3)nc3c2CN(S(=O)(=O)c2ccccc2)CC3)CC1,0
+CC1=C(C)c2c(sc3[nH]c(=O)n(CC(=O)N4CCCCC4)c(=O)c23)C1,0
+CC1CCCC(NC(=O)C[NH+]2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)C1C,0
+CC(C)(C)OC(=O)n1ccc2c(NC(=O)Cc3nc(N4CCOCC4)cc(=O)[nH]3)cccc21,1
+CCOc1ccc(C([NH3+])Cc2nc3c(s2)CC(C)CC3)cc1,0
+NC1(c2ccc(-c3nc4cc(-c5cccnc5)ccn4c3-c3ccccc3)cc2)CCC1,1
+O=P1(NCC(c2ccc(F)cc2)[NH+]2CCOCC2)C=C(c2ccccc2)OC(c2ccccc2)=C1,0
+O=C(NC1CCCc2ccccc21)C1C[NH2+]CC1C(=O)NC1CC1c1ccccc1,0
+CCOc1ccc(OCC)c(C2C(C#N)=C(N)Nc3cc(O)ccc32)c1,0
+CCOc1ccc2c(c1)C[NH+](CC(=O)Nc1ccccc1C(N)=O)CC2,0
+CC(C)(C[NH3+])c1nc(-c2ccc(Br)c(O)c2)c(-c2ccncc2)[nH]1,0
+CN(C(=O)CCCCNC(N)=O)C1CC[NH+](C2CCOCC2)CC1,0
+CCc1cccc([NH+]=c2oc3c(C)ncc(CO)c3cc2C(N)=O)c1,0
+O=C(Cc1ccccc1F)NNC(=O)NC1C2CCCC1C[NH+](C1CC1)C2,0
+CCCC([NH3+])c1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)cs1,0
+CCC(C(N)=O)S(=O)c1ccc(C(=O)[O-])cc1,0
+COc1ccc(CN(CC[NH+](C)C)C(=S)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(OC)c1OC,0
+CC(=O)NC1C(Oc2ccc(Cl)cc2)OC2COC(C)(C)OC2C1O,0
+CC(Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1F,0
+O=c1cnc(-c2ccccc2)c(-c2ccc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2)[nH]1,1
+C[NH+](CCCOc1ccc(Cl)cc1)CC(=O)Nc1sccc1C(N)=O,0
+O=c1cccc2n1CC1CC2C[NH+](CC(O)CNc2ccc(O)cc2)C1,0
+COc1ccc(C#CC(=O)N2CCC3=C(C2)C(C2CCC2)N=N3)cc1,0
+C[NH+](C)C(CNC(=O)NCC1(O)CCCc2ccccc21)c1ccco1,0
+Cc1ccc2nc(SC(C[NH3+])c3cc(Br)cs3)[nH]c2c1,0
+COc1ccc(C=NN2C(=O)C3Cc4c([nH]c5ccccc45)C[NH+]3C2c2ccc(Br)cc2)cc1,0
+NC(=O)NC(=O)CCSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1C(F)(F)F,0
+CC(c1ccccc1)N1CC[NH+](CC(=O)Nc2ccc(C(C#N)c3ccccc3)c(Cl)c2)CC1,0
+Cc1nn(C(=O)c2c(Br)cnn2C)c(C)c1Br,0
+COc1ccccc1NC(=O)c1cc2cc(C)ccc2oc1=[NH+]c1ccc(S(N)(=O)=O)cc1,0
+Cc1cc(NC(=O)C(C)[NH+]2CCCC(C(=O)NC3CCCCC3)C2)on1,0
+CCCCNC(=O)C(c1c(O)cc(O)cc1O)N(CCC)C(=O)Cc1ccc(Br)cc1,0
+CCOc1ccccc1C1NC(=[NH2+])Nc2nc3ccccc3n21,0
+O=S(=O)(CCNC(=S)Nc1ccc(SC(F)F)cc1)N1CCN(c2cccc[nH+]2)CC1,0
+CCC([NH2+]CC(=O)Nc1sccc1C(N)=O)c1ccc(Br)cc1,0
+Cc1ccc(NC(=S)NCC(c2ccco2)[NH+]2CCCC2)cc1Cl,0
+Cc1c(C(=O)N2CCc3ccccc3C2)oc2ccc(S(=O)(=O)N3CCCCCC3)cc12,0
+CCOC(=O)C1=C(CSC2NN=C(C3=c4ccccc4=[NH+]C3)O2)NC(=O)NC1C,0
+CCNC(=O)NC(=O)C[NH+](C)CC(=O)Nc1ccc(Br)cc1C,0
+COc1nc(C(N)=O)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12,1
+NC(=O)c1cccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12,1
+Cc1ccc(NC(=O)c2c(NC(=O)C[NH+]3CCN(CCO)CC3)sc3c2CCC(C(C)(C)C)C3)c(C)c1,0
+NC(CNc1ncc(-c2ccc3cnccc3c2)s1)Cc1ccc(C(F)(F)F)cc1,1
+CCN(C)Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN(C)C)CC1,1
+CC(c1nc(N)nc(Nc2ccccc2)n1)[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,0
+CC(CCc1ccc(O)cc1)[NH2+]C(C)c1ccc(I)cc1,0
+CCn1c(-c2nonc2N)nc2cncc(C(=O)NC3CCNCC3)c21,1
+CC(C)CC1=NC(=O)C2=C3CC(C)(C)OCC3SC2=N1,0
+CCC(C)C(NC(N)=O)C(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1,0
+NC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3ccccc3)cn2CCN2CCC2)CC1,1
+CCC1C[NH+]2CCC1CC2CNC(=S)Nc1ccc(C)cc1Br,0
+CCC([NH2+]Cc1cc(Br)c(O)c(OC)c1)c1cccs1,0
+CC[NH+]1CCN(c2nc(N)c([N+](=O)[O-])c(Nc3onc4c3CC(C)CC4)n2)CC1,0
+Nc1cccc(CCC(=O)N2CCN(Cc3ccccc3)CC2)c1,0
+NC(COc1cncc(-c2ccc3cnccc3c2)c1)CC1CCCCC1,1
+COc1ccccc1C(O)(c1ccc(O)cc1)C(C[NH+]1CCCCC1)c1ccccc1,0
+CCOC(=O)C([NH3+])Cc1cc(Br)c(Br)cc1O,0
+Cc1cc(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1,0
+Cc1sc(NC(=O)c2ccccc2)c(C(Nc2cccc[nH+]2)c2ccsc2)c1C,0
+CN1CC(N2CCN(c3ncc4cc(-c5ccccc5)c(-c5ccc(CN6CCC(c7nnc(-c8ccccn8)[nH]7)CC6)cc5)nc4n3)CC2)C1,1
+CC1CC[NH+](CC(O)CNC(=O)NCc2ccc(S(N)(=O)=O)s2)CC1,0
+CCCCn1c(NCc2cc(Br)ccc2O)[nH+]c2ccccc21,0
+CC(=O)NC(CC1=c2ccccc2=[NH+]C1)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12,0
+NC(CNc1ncc(-c2ccc3cncnc3c2)s1)Cc1ccc(C(F)(F)F)cc1,1
+O=C(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)Nc1ccc(F)cc1,1
+CCCC[NH+]1CCC(CNC(=O)C2CN(C(=O)C(C)CC)CC23CC[NH2+]CC3)CC1,0
+Cc1c(C(=O)NC(C)c2[nH]cc(-c3ccccc3)[nH+]2)[nH]c2c1C(=O)CCC2,0
+CCCSc1nc2n(n1)C(c1ccc(OCc3cc(C)c(C)cc3C)cc1)C(C(N)=O)=C(C)N2,0
+CC(=O)[NH+]=c1ccc2c(CSc3nnc(-c4ccc(Br)cc4)o3)cc(O)oc-2c1,0
+CCC(C)C(NC(=O)C1CC2=c3ccccc3=[NH+]C2C2c3ccccc3C(=O)N12)C(=O)NC(C)C,0
+CC1Cc2c(OC(F)F)cccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)n1C,1
+CCc1cc(C(Nc2cccc[nH+]2)c2cccc(OC)c2OC)c(NC(=O)c2ccco2)s1,0
+O=C(Nc1cccc(C(F)(F)F)c1)C1C2C(=O)N(C3CCCCC3)C(=O)C2C2c3ccccc3C=C[NH+]12,0
+CCC(C)c1ccccc1Oc1ccc(C(N)=[NH2+])cc1Cl,0
+Cc1cc[nH+]c(NC(c2cccc(F)c2)c2ccc3ccc(C)nc3c2O)c1,0
+COc1ccc(S(=O)(=O)N=C2N=c3ccccc3=[NH+]C2Nc2ccc(Br)c(C)c2)cc1,0
+CN(CCC[NH3+])C(=O)C[NH+]1CCC(N2CCOCC2)C1,0
+CCCc1ccc(C([NH2+]CC(=O)NN2C(=O)NC(C)(CC)C2=O)C(C)C)cc1,0
+CCN(CC)c1ccc(C(C[NH3+])N2CCN(c3ccccc3)CC2)cc1,0
+COc1ccc2c(c1)SC(NC(=O)CSC1[NH+]=c3ccc(C)cc3=[NH+]1)N2,0
+Nc1ncccc1-c1nc2cc(-c3cccnc3)cnc2n1-c1ccc(CNC(=O)c2ccccc2)cc1,1
+COC(=O)C1(CS(C)(=O)=O)NC(=S)NC(=O)C1C#N,0
+C[NH+]1C(SCc2nc3ccccc3c(=O)[nH]2)NNC1c1ccc(C(C)(C)C)cc1,0
+CC(Oc1ccccc1Cl)C(=O)Nc1ccc(NC(=S)NC(=O)C=Cc2cccs2)cc1,0
+CC(C)c1ccc(C=C2Oc3c(ccc4c3CN(C3CCS(=O)(=O)C3)CO4)C2=O)cc1,0
+CC1(C)CC([NH2+]CC2C=NN=C2c2ccccc2)C2CNN(c3cccc(F)c3)C2C1,0
+CC(C)C(NC(=O)C1CC2=c3ccccc3=[NH+]C2C2c3ccccc3C(=O)N12)C(=O)NCc1ccco1,0
+CN(C)CCN1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC1,1
+CC(C)(C)OC(=O)N1CCCCC1CNC(N)=[NH+]Cc1ccco1,0
+CCC(C)C([NH3+])c1nc(C(=O)NC(C)c2ccc(Br)cc2)co1,0
+CNC(=O)Nc1cc(C)cc2c1=[NH+]C(C(=O)NCc1cccc(Cl)c1)C=2c1ccccc1,0
+NC(Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2ncnc3ccccc23)CC1,1
+Cc1cc(C)cc(Oc2ccc(C3[NH2+]C(C(=O)[O-])CS3)cc2)c1,0
+NS(=O)(=O)c1ccc(CC[NH2+]CC(O)COC2CCCc3ccccc32)cc1,0
+Nc1cc2[nH]ncc2cc1-c1cncc(OCC(N)Cc2c[nH]c3ccccc23)c1,1
+CC(=O)Nc1cc(NC(=O)NC(C)C[NH+]2CC(C)CC(C)C2)ccc1F,0
+Fc1ccccc1N1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+CCC(C)C1[NH2+]C2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)N(Cc2ccc(F)cc2)C1=O,0
+Nc1ccc(-c2nnc(C3CCN(Cc4ccc(-c5nc6nc(N7CCN(CCO)CC7)ncc6cc5-c5ccccc5)cc4)CC3)[nH]2)cn1,1
+[NH3+]CC(=O)Nc1cc2c(c(C(=O)c3ccccc3Br)c1)OCCO2,0
+CCOc1cc(Br)c(Br)c(C=Nc2ccc(NC(N)=S)cc2)c1O,0
+COc1cc(OC)cc(C(=O)N2CC(C(=O)NCC[NH+](C(C)C)C(C)C)C3(CC[NH2+]CC3)C2)c1,0
+Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccccc4Cl)C3=O)c(NC3CCCC3)nc12,0
+CC1CCC[NH+](CC(C)NC(=O)CNC(=O)NCC2CCCC2)C1,0
+COc1ccc(C(CNC(=O)N2CCOC(C(N)=O)C2)[NH+]2CCCC2)cc1,0
+NC(COc1cncc(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,1
+c1c[nH]c(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)c1,1
+CC([NH2+]C(C)c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(S(N)(=O)=O)c1,0
+NC(=O)c1ccc(C(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1,0
+Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2CO)CC1,1
+CC([NH3+])C(c1ccc(Br)s1)N(C)C(C)c1ccc(Cl)cc1,0
+CCCCn1c(N)c(N(CC)C(=O)C[NH2+]C(C)(C)CC(C)(C)C)c(=O)[nH]c1=O,0
+CC1(C)CC(NC(=O)CSc2nnc(-c3cccnc3)n2N)CC(C)(C)[NH2+]1,0
+CCOc1cc(C[NH2+]CC2CCCN2CC)cc(Br)c1OCc1cccc(Cl)c1,0
+CCC(C)C([NH3+])C(=O)N1CCN(C(=O)NC2CCCCC2)C(C)C1,0
+Cc1ccc(C)c2[nH]c(=O)c(CN(CCC[NH+](C)C)C(=O)Nc3ccc(Cl)cc3)cc12,0
+CC12CCC3c4ccc(O)cc4CCC3C1CCC2(O)C[NH2+]Cc1ccccc1,0
+Cc1cc(N2CC[NH+](C(C)c3nc(N)nc(Nc4ccccc4)n3)CC2)nc(C(C)C)n1,0
+O=C(Nc1ccc(Cl)cc1)Nc1c(O)oc2ccccc2c1=[NH+]Cc1ccccc1,0
+Nc1ncnc(N2CCC(c3nc(-c4cccc(F)c4)cn3CCN3CCCC3)CC2)c1C1CCC1,1
+CC([NH2+]C(c1ccccc1)c1ccco1)C(=O)NC(=O)NCc1cccs1,0
+COc1ccccc1-c1cc(O)c2ccc(=[NH+]C(=O)C(C)Oc3c(F)c(F)c(F)c(F)c3F)cc-2o1,0
+Cc1ccc(S(=O)(=O)N[NH+]=c2oc3ccccc3cc2C(=O)Nc2cccc(Cl)c2)cc1,0
+N#Cc1cccc(CC(N)COc2cncc(C=Cc3ccncc3)c2)c1,1
+Cc1nc(C[NH2+]CCC(=O)Nc2ccc(C(N)=O)cc2)nc2c1CCCC2,0
+Cc1ccc(C(c2c(N)n(CC(C)C)c(=O)[nH]c2=O)[NH+]2CCN(c3ccccc3)CC2)o1,0
+CC[NH2+]C1CCN(C(C)C(=O)NC(N)=O)CC1,0
+C[NH+]1CCN(c2c(Cl)cccc2NC(=O)CSc2nnc(-c3cccc4ccccc34)o2)CC1,0
+CCCCNC(=O)C(c1c(O)cc(O)cc1O)N(CCC)C(=O)C(=Cc1ccccc1)c1ccccc1,0
+CCOc1ccc(Oc2cc(CNC(=[NH2+])NC3CCCC3)ccn2)cc1,0
+Cc1ccc(N2N=CC3C([NH2+]Cc4cc5ccccc5[nH]4)CCCC32)cc1C,0
+CN(C)CC1CCC[NH+]1CC(=O)Nc1cc(N)ccc1Cl,0
+CCC([NH3+])C(c1ccc(Cl)s1)N1CCC(CO)CC1,0
+O=C(Cc1ccccc1F)NNC(=O)NCc1ccc(N2CCCCC2)[nH+]c1,0
+CSC1Nc2ccc(NC(=O)C(CC3=c4ccccc4=[NH+]C3)NC(C)=O)cc2S1,0
+NC(Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3c2CSC3)CC1,1
+O=C(NCC1CCCO1)C1CCC(CNC(=O)C2Cc3ccccc3C[NH2+]2)CC1,0
+NC(=[NH2+])NN=C(CSc1nc2ccccc2s1)c1ccc2ccccc2c1,0
+O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1cnc2ccccc2n1,1
+O=c1cccc2n1CC1CC2C[NH+](CC(O)CNc2ccc(O)cc2)C1,0
+CC1(C)CC(NC(=O)NCC(O)c2ccc(F)c(F)c2)CC(C)(C)[NH2+]1,0
+COc1ccc(C[NH2+]CCN2CCCC2)c(OCC(O)C[NH+]2CCCCCCC2)c1,0
+Cc1ccc(C(C)N(C)S(=O)(=O)Cc2cccc(N)c2)s1,0
+Nc1nc(N)nc(CSCc2coc(-c3ccc(Br)cc3)n2)n1,0
+CCOc1cccc(C2CC(c3cccc(OC)c3)=NC(c3ccccc3OC)[NH2+]2)c1O,0
+Cc1ccc(NC(=[NH2+])Nc2nc(CSc3nc4ccccc4s3)cc(=O)[nH]2)cc1C,0
+NC(=O)c1ccc(NC=C2C(=O)Oc3ccccc3C2=O)cc1,0
+O=C(NCCCNc1cccc[nH+]1)NCC1CCS(=O)(=O)C1,0
+CCCNC(=O)CC[NH2+]C(CC)c1cc(Br)ccc1O,0
+O=c1c(=Cc2ccc(Br)cc2)sc2nncn12,0
+Cc1cccc2c1NC(=O)C2[NH2+]C1CCS(=O)(=O)C1,0
+C=CCOc1c(Br)cc(C2NC(=[NH2+])Nc3nc4ccccc4n32)cc1OC,0
+CC(Cc1ccc(O)cc1)NC(=O)C(=O)Nc1ccc(F)c(F)c1F,0
+CC([NH3+])C(Sc1n[nH]c(=O)n1C1CC1)c1ccc(Br)cc1,0
+CC(Cn1c(C(F)(F)F)nc2cc(Cl)cnc21)C(N)=S,0
+Cn1c(=O)c2c(nc(CO)n2CC(O)C[NH2+]C2CCCCC2)n(C)c1=O,0
+Cc1cc(C)cc(OCC[NH+](C)CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1,0
+COC1C[NH+](C(CNc2ccccc2O)c2ccc(S(=O)(=O)C(C)C)cc2)CCN1,0
+CC(C)CN(C(=O)C1CCN(C(=O)C=Cc2ccccc2)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,0
+NC(=O)C[NH+]1CCC([NH2+]Cc2cc(Br)c(Br)o2)CC1,0
+CC(C)(CO)[NH2+]CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2,0
+CC[NH+](CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1c(Cl)ccc(C)c1Cl,0
+Nc1ncnc2c1cnn2C1CCN(Cc2ccc(-c3nc4ccnn4cc3-c3ccccc3)cc2)CC1,1
+CCC([NH3+])C(c1cc(Br)cs1)[NH+](C)CC(=O)NC,0
+Cc1ccc(-c2[nH+]n(C3CCS(=O)(=O)C3)c(N)c2C)s1,0
+CC1(C)CC(NC(=S)Nc2cc(Cl)ccc2Oc2ccccc2)CC(C)(C)[NH2+]1,0
+c1ccc2c(c1)N(c1ncnc3[nH]ccc13)CC21CCNCC1,1
+CCCC(C)([NH3+])C(=O)N(CC(N)=O)Cc1ccc(Br)cc1,0
+CC[NH+]1CCN(C(c2cccs2)C(C)[NH+]=C([S-])NC2CCCCC2)CC1,0
+CCC([NH3+])C(c1cc(Br)cs1)N(CCCO)C(C)C,0
+CC1CCc2c(sc(NC(=O)CN3CC[NH+](C(C)C)CC3)c2C(N)=O)C1,0
+Nc1c(C(=O)NCC2CCCO2)sc2[nH+]c(N3CCCCC3)c3c(c12)CCCC3,0
+Nc1ncnc(N2CCC(c3nc(-c4cccc(Cl)c4)cn3CCN3CCCC3)CC2)c1C1CCC1,1
+CC(NC(=O)C(=O)NNC1=c2ccccc2=[NH+]C(c2ccccc2)C1)c1ccccc1,0
+CCC(=O)N(C(C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1c(O)cc(O)cc1O)C(C)(C)C,0
+Cc1cccc(OP(=O)(NN=Cc2cc(Br)ccc2O)Oc2cccc(C)c2C)c1C,0
+C[NH+](C)C(CNC(=O)CCCCCNC1=NS(=O)(=O)c2ccccc21)c1ccsc1,0
+Cc1ccc(C(=O)NC(=S)NNC(=O)C2CC2)cc1I,0
+CC1Cc2c(Br)cccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+Cc1ccc(C(C)NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1,0
+CCC(=O)Nc1ccc(NC(=O)NCC(c2ccco2)[NH+]2CCCCC2)cc1C,0
+C=CCOc1ccc(C[NH2+]Cc2cccc(C3(C)NC(=O)NC3=O)c2)cc1Cl,0
+CC(SC1NN=C(Nc2ccccc2)S1)C(=O)C1=c2ccccc2=[NH+]C1,0
+CNC(=O)NC(=O)C[NH+]1CCCC1C(=O)Nc1cc(Cl)ccc1Cl,0
+COc1cccc(C=C(C#N)C(=O)Nc2cccc(C)c2C)c1OCc1ccc(Cl)cc1,0
+CC([NH2+]C1CCN(CC(N)=O)CC1)c1ccc(Br)cc1Br,0
+CCc1ccc(C2=NC(c3ccc(OC)c(Br)c3)[NH2+]C(c3ccccc3O)C2)cc1,0
+S=C(NCc1ccc2c(c1)=C1CCCCC1[NH+]=2)Nc1ccccc1Cl,0
+CC1=C(C(C)NC(=O)C2CN(C(=O)c3sccc3C)CC23CC[NH2+]CC3)C(C)N=N1,0
+Nc1ncnc(N2CCC(c3nc(-c4ccnc(C(F)(F)F)c4)cn3CCN3CCC3)CC2)c1OCC(F)(F)F,1
+Cc1cccc([NH+]2CCN(CC(O)COC(c3ccccc3)c3ccccc3)CC2)c1C,0
+COC(=O)c1cnn2cc(-c3c(F)cccc3F)c(-c3ccc(CN4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)nc12,1
+CNC(=O)NC(c1ccc(F)cc1)c1cc2c(cc1O)OCO2,0
+NC(=[NH2+])SCc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1,0
+CC1CCC2(CC1)NC(=O)N(NC(=O)C[NH+]1CCCC1C(=O)Nc1cc(Cl)cc(Cl)c1)C2=O,0
+CCC(=O)Nc1ccc(C(=O)NN=Cc2cc(Br)ccc2OC(=O)c2ccc(C)cc2)cc1,0
+CCOC(=O)C1=C(C[NH+]2CCCN(C(=O)NC(C)(C)C)CC2)N(CC)C(=O)NC1c1ccccc1OC,0
+O=C(NN=Cc1ccccn1)c1n[nH]c2c1CCc1ccccc1-2,0
+COc1ccc(C2C3=C(Nc4nnnn42)c2ccccc2OC3c2cccc(Br)c2)cc1OC,0
+CCc1ccc(C(CNC(=O)Nc2ccc(NC(=O)COC)cc2)[NH+](C)C)cc1,0
+COc1ccccc1C(C)[NH2+]CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F,0
+COC(=O)C(CC1=c2ccccc2=[NH+]C1)NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1,0
+NC(=[NH2+])c1ccccc1OCc1cc(Br)cs1,0
+CN1CCN(c2ccc3nc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3n2)CC1,1
+CCCCNC(=O)NC1(C(=O)[O-])C(C)CCCC1C,0
+CN(C)c1ccc(Br)cc1NC(=O)C([NH3+])C(C)(C)C,0
+NS(=O)(=O)c1ccc(CC[NH+](CC(=O)Nc2ccccc2)CC(=O)Nc2ccccc2)cc1,0
+CCC(C)NC(=O)C[NH+]1CCc2c(sc(N)c2C(=O)OC)C1,0
+CC(C)[NH+](C)CCCNC(=O)c1cc(S(N)(=O)=O)ccc1Br,0
+COc1cccc2c1=CC(C(=O)NCCC(=O)NC1Nc3ccccc3S1)[NH+]=2,0
+CC(C)c1ccc(CN2CCCC(O)(C[NH2+]CCc3ncc[nH]3)C2=O)cc1,0
+CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[NH+](CC(O)CC)CC1CC1,0
+COc1ccc(C(C)N(Cc2cccs2)C(=S)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1,0
+Cn1[nH+]c(C2CCCOC2)c(-c2cccs2)c1N,0
+Cc1ccc(NC(=O)CC(=[NH2+])NOC(=O)Nc2ccc(C)c(Cl)c2)cc1,0
+O=C1N=CN=C2C1=NC(N1CC[NH2+]CC1)N2C1OC(CO)C(O)C1O,0
+O=C(CCC(=O)N1CCCCCC1)N=C(NCCC1=c2ccccc2=[NH+]C1)Nc1ccccc1,0
+CCc1ccccc1NC(=O)Cn1[nH+]c(NC(C)C)c(-c2nc(-c3ccc(Cl)cc3)no2)c1N,0
+CC([NH2+]C(C)c1ccc(Cl)cc1Cl)C(=O)Nc1sccc1C#N,0
+O=S(=O)(Nc1nc(C[NH+]2CCOCC2)nc2sc3c(c12)CCCC3)c1ccc2ccccc2c1,0
+CCCOc1ccc(OC(C[NH3+])c2ccc(Br)s2)cc1,0
+CCC([NH3+])C(c1ccc(Cl)s1)N(CCO)C1CCCC1,0
+CCOc1ccccc1C(C[NH3+])N(C)Cc1csc(Br)c1,0
+CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)c1C,0
+CC(O)C1[NH2+]C2(C(=O)Nc3c(Cl)cccc32)C2C(=O)N(CCc3ccccc3)C(=O)C12,0
+CCC(C)C(NC(=O)C1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc2c(c1)OCO2,0
+Cc1ccc(-c2ccc(=O)n(CC[NH+]3CCN(S(=O)(=O)c4ccc(NC(=O)C(C)C)cc4)CC3)n2)cc1,0
+CC1(C)[NH+]=C(N)N=C(N)N1c1ccc(CCCCOc2ccccc2)cc1,0
+CCOc1cc(C2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)cc2)cc(Br)c1O,0
+Cc1cccc(C2NC(=S)NC34Oc5c(ccc(O)c5O)C(c5cccc(C)c5)C3CCCC24)c1,0
+CCC1CCC(C[NH3+])C(N2CCNC(=O)CC2)C1,0
+CN(C(=O)CSC1NN=C(C2=c3ccccc3=[NH+]C2)O1)C1(c2ccccc2Cl)CCCCC1=O,0
+Cc1ccc(NC(=O)CN2C(=O)SC(=Cc3cccn3-c3ccc(C(=O)[O-])cc3)C2=O)cc1C,0
+COc1ccc2[nH]c3c(c2c1)CC[NH2+]C3c1c(O)nc(O)n(-c2cc(Cl)ccc2C)c1=O,0
+CC(C)S(=O)(=O)C1=CC2CC3COP(=O)(c4ccccc4O)N[NH+]3CC2C=C1Cc1ccccc1,0
+CC1CCCC[NH+]1C(C)CNC(=O)NCCc1ccc(S(N)(=O)=O)cc1,0
+CC1CN(c2cc(=O)[nH]c(CC(=O)N3CCc4c(F)cccc43)n2)CCO1,1
+O=C(C[NH+]1CCCC1c1ccc2c(c1)OCCCO2)Nc1cc2[nH]c(=O)[nH]c2cc1Br,0
+COc1ccc(C(Nc2cc(C)cc[nH+]2)c2c(NC(=O)c3ccco3)sc(C)c2C)c(OC)c1,0
+CCCCCOC(=O)c1ccc(N2CC(=O)C(C3[NH+]=c4ccccc4=[NH+]3)=C2N)cc1,0
+COc1cc(OC)c(C([NH3+])c2cc(Cl)sc2Cl)cc1OC,0
+O=C(Nc1cccc(Cl)c1)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+Nc1nc(COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)nc2sc3c(c12)CCCC3,0
+CCN(c1[nH+]cnc(NC(C)COC)c1N)c1cccc2ccccc12,0
+CC(=O)NC1Nc2ccc(CC(=O)NCCC3=c4ccccc4=[NH+]C3)cc2S1,0
+Nc1ncccc1-c1nc2ccc(-c3cccnc3)nc2n1-c1ccc(CC(=O)Nc2ccccc2)cc1,1
+CC[NH+]1CCNC(=O)C1CC(=O)NCC(=O)NC(c1ccccc1)c1ccccc1,0
+NNC(=O)COc1ccc(C2[NH+]=NC=C2Oc2ccccc2Br)c(O)c1,0
+CCOc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN(C)C)CC1,1
+COc1ccccc1NC(=O)c1c(NC(=O)C[NH+]2CCCCCC2)sc2c1CCCCC2,0
+Cc1ccc(C)c(N2C(SCc3ccccc3C)=NNC2Cc2cc(=O)[nH]c(=O)[nH]2)c1,0
+Cc1cc(OCC(=O)NC(c2ccc3c(c2)OCCCO3)C(C)C)c(C(C)C)cc1Cl,0
+COc1cccc(C(CNC(=O)CC2Sc3ccc(Cl)cc3NC2=O)[NH+]2CCCC2)c1,0
+NC(=O)C1C2=C(CCC2)SC1NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3,0
+O=C(NCC1OCCc2ccccc21)C1CN(C(=O)c2ccc(-c3ccccc3F)o2)CC12CC[NH2+]CC2,0
+COCC[NH+]1CCC(CNC(=O)C2CCC3(CC2)NC(=O)NC3=O)C1,0
+COc1ccc(C(c2c(NC(=O)c3cccs3)sc(C)c2C)[NH+]2CCCCC2)cc1,0
+CCCCSc1nc2n(n1)C(c1cccc(O)c1)C(C(=O)Nc1cccc(C)c1C)=C(C)N2,0
+C[NH+](CC(=O)Nc1cc(Cl)ccc1N)Cc1cccs1,0
+C=CCN1C(=O)NC(c2ccc(Cl)cc2)C2=C1CN(C(Cc1ccccc1)C(=O)N1CCOCC1)C2=O,0
+CCC1CCCC[NH+]1CCCNC(=S)Nc1ccc2[nH+]c(N3CCOCC3)cc(C)c2c1,0
+C1=CC(c2ccc(C3[NH2+]CCc4[nH]cnc43)s2)N=N1,0
+COc1cc2ncc3c(N)nc(-c4cncc(OCC(N)Cc5ccc(Cl)c(Cl)c5)c4)cc3c2cc1OC,1
+NC(COc1cncc(-c2ccc3[nH]ncc3c2)c1)Cc1c[nH]c2ccccc12,1
+N#Cc1ncc2nc1OCCCCCOc1cc(OCCCO)c(Cl)cc1NC(=O)N2,1
+Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)CN2c3ccccc3Sc3ccccc32)cc1,0
+CCOC(=O)c1ccc(NC(=O)C=C(C)NNC(=O)COc2ccc(C)cc2Br)cc1,0
+CCOc1ccccc1CN(C(=S)Nc1cc(Cl)ccc1C)C1CC(C)(C)[NH2+]C(C)(C)C1,0
+O=C(C=Cc1nc2ccccc2[nH]1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O,1
+CC[NH+](CC)CCNS(=O)(=O)c1cc(Cl)cc(N)c1Br,0
+Cc1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CC[NH+](C(C)C)C3)cc1,0
+CCC(=O)Nc1ccc(C(C)[NH2+]C(C)C(=O)Nc2ccc(F)c(Cl)c2)cc1,0
+Cc1cc(C)cc(-c2nnc(SCC(=O)N3CC[NH+](CC(=O)Nc4c(C)cccc4C)CC3)o2)c1,0
+Cc1ccccc1C(CC(=O)Nc1ccccc1SC(C)CC#N)NC(N)=O,0
+CCCCC(C)C(=O)N1CC(C(=O)NCc2cc(C)ccc2C)C2(CC[NH2+]CC2)C1,0
+CN1CCN(c2cc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7ccccn7)[nH]6)CC5)cc4)nc3cn2)CC1,1
+O=C(N1CCN(c2ncnc3[nH]cc(Cl)c23)CC1)C1(c2ccc(Br)cc2)CCNCC1,1
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cccc(C(F)(F)F)c1O,1
+CN(C)CCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2Br)CC1,1
+Cc1n[nH]c2ccc(-c3cncc(OCCC(N)Cc4ccccc4)c3)cc12,1
+CC(O)CNC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1,0
+CC(C)OCCCNC(=O)C(C)NC(=O)C1Cc2c([nH]c3ccccc23)C2c3ccccc3C(=O)N12,0
+CC1=NC(CC[NH2+]CC2CN(c3ccc(F)cc3)NC2c2ccccc2Cl)N=C1,0
+CCCC1OC(CC(=O)O)CC2=C1C(=O)c1c(O)cccc1C2=O,1
+COC(=O)c1cc(Nc2ncnc(NC3CC(C)(C)[NH2+]C(C)(C)C3)c2[N+](=O)[O-])cc(C(=O)OC)c1,0
+NS(=O)(=O)c1ccc(CCN2C(=O)CCC2CC[NH2+]Cc2ccccc2F)cc1,0
+CCCNC(=O)C1CCC[NH+](CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)C1,0
+Clc1nc2sccn2c1C1[NH2+]CCc2[nH]cnc21,0
+CN(CCc1ccccc1)C1C(C[NH2+]C2CCCCC2)OC(CO)C1O,0
+Cc1cc(OCC(=O)NCC(c2ccc(C(C)(C)C)cc2)[NH+]2CCCC2)ccc1Cl,0
+O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1cc2ccccc2s1,1
+NC(=O)N1CCC(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)CC1,0
+Cn1cccc1C(CNC(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CCCCCC1,0
+CCCC(C(=O)NCC[NH+]1CCCC1)n1c(-c2ccc3c(c2)C(C)(C)CCC3(C)C)cc(C(N)=O)c1C,0
+COc1ccc(N2C(=O)N(c3ccc(C)cc3)C3CS(=O)(=O)CC32)cc1,0
+CC([NH3+])C(C)c1ccc2scnc2c1[N+](=O)[O-],0
+CCC(CC)(NS(=O)(=O)c1sccc1Br)C(N)=NO,0
+COc1ccc(CN(C)c2cccc(C(N)=[NH2+])c2)cc1Br,0
+O=C(CC1C(=O)NCC[NH+]1Cc1cccc(Oc2ccccc2)c1)NCC1(O)CCCCC1,0
+O=c1[nH]cc(S(=O)(=O)N2CCCC2C2CCC[NH2+]2)c(=O)[nH]1,0
+CC(=O)Nc1ccc(-c2cncc(OCC(N)Cc3c[nH]c4ccccc34)c2)cc1,1
+NC1(c2ccc(-n3c(-c4cccc(O)c4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1,1
+O=CC(NS(=O)(=O)[O-])C(O)C(OC1OC(C(=O)[O-])=CC(O)C1O)C(O)COS(=O)(=O)[O-],0
+CCC(N)C(c1ccc(Br)s1)[NH+](C)Cc1ccccc1,0
+CCOC(=O)C1=C(C[NH+]2CCCN(C(=O)c3ccc(F)cc3)CC2)N(CC)C(=O)NC1c1cc(C)ccc1C,0
+OCC(CO)(CO)[NH+](CC1CCCCC1)CC1CCCCC1,0
+Cc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2n1,1
+Cc1ccc(-n2c(SCC(=O)NN=Cc3ccccc3O)nnc2-c2ccc(C(C)(C)C)cc2)cc1,0
+CNC(=O)NC(=O)C(C)SC1NN=C(C2=c3ccccc3=[NH+]C2)N1c1ccc(Cl)cc1,0
+NC(=O)C1([NH+]2CCCCC2)CCN(C2CC(=O)N(c3ccc(I)cc3)C2=O)CC1,0
+CC1CCCC(NS(=O)(=O)N2CCC(C(=O)[O-])CC2)C1C,0
+CCCC(C)C(=O)N1CC(C(=O)NCCNc2ccccc2)C2(CC[NH2+]CC2)C1,0
+N#CC1=C(N)Oc2c3c(c4ccccc4c2C1c1ccc(F)cc1)C(c1ccc(F)cc1)C(C#N)=C(N)O3,0
+CC(C)(C)c1cc(C2CSCC(C(=O)NCc3cccc(Cl)c3)[NH2+]2)cc(C(C)(C)C)c1O,0
+CC12CCC(O)(C[NH+]3CC3)CC1CCC1C2CCC2(C)C1CCC2(O)C[NH+]1CC1,0
+CN(C)S(=O)(=O)c1ccc(-c2csc(=[NH+]c3ccccc3)n2CCC[NH+](C)C)cc1,0
+CCCCCCNC(=O)C1CN(C(=O)c2c(Cl)cccc2Cl)CC12CC[NH2+]CC2,0
+COC(=O)C=Cc1ccc2nn3cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nc3c2c1,1
+CCOc1cc(C=NNC(=O)C(=O)Nc2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1,0
+COc1ccc(NN=C(C2[NH+]=c3cc(Cl)ccc3=[NH+]C2=O)C(O)C(O)CO)cc1,0
+CCCC(C)C(=O)N1CC(C(=O)NCCc2ccc(C)c(C)c2)C2(CC[NH2+]CC2)C1,0
+CCCn1c(N2CC[NH+](CC)CC2)c(C=C2SC(=S)N(CC3CCCO3)C2=O)c(C)c(C#N)c1=O,0
+CC(C)c1c[nH+]c2c(c1NOCC(N)=O)c(=O)n(C)c(=O)n2C,0
+CCC1CCC(NS(=O)(=O)c2ccc(C[NH3+])s2)CC1,0
+NC(Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3[nH]cc(Cl)c23)CC1,1
+CCCOC(=O)c1c(NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)sc2c1CCC(C)C2,0
+NC(CNc1ncc(-c2ccc3[nH]c(=O)sc3c2)s1)Cc1ccc(C(F)(F)F)cc1,1
+CCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1c(C)cc(C)cc1C,0
+NC(=O)C1CC(O)C[NH+]1CC(=O)Nc1cc(C(F)(F)F)ccc1Cl,0
+COc1c(Br)cc(Cl)cc1NC(=O)CNC(=O)C[NH3+],0
+Cc1ccccc1NC(=[NH2+])Nc1nc(CSc2ccc(Cl)cc2)cc(=O)[nH]1,0
+Cc1nc(C)c(C(C)Nc2n[nH+]c(C)c(C)c2C(=O)[O-])s1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1ccc(F)c(C2CC2)c1,1
+C[NH+]1CCN(c2nc3ccc(NC(=O)C4CCCN(S(=O)(=O)c5cccs5)C4)cc3s2)CC1,0
+CC1(C)CN(Cc2nnsc2Cl)CCO1,0
+COc1ccc(C(O)CNC(=O)NCC(C(C)C)[NH+]2CCC(C)CC2)cc1,0
+COc1ccc(CCN2CC(=O)N3C(CC4=c5ccccc5=[NH+]C4C3c3cccc(Cl)c3)C2=O)cc1,0
+COc1cccc(NC(=S)[NH+]=C(Nc2ccccc2)c2ccc(C)cc2)c1,0
+N[NH+]=C(NC1CC1)c1ccc(Br)cn1,0
+O=C(Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1cccnc1,1
+NC(=O)c1cc(Br)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+[NH3+]C1CCC(Oc2cc(F)ccc2[N+](=O)[O-])CC1,0
+CCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(C)cc1C)C(=O)Nc1cccc(Cl)c1,0
+O=C(NN=Cc1cc(Br)ccc1O)C1[NH+]=c2ccc([N+](=O)[O-])cc2=C1c1ccccc1,0
+CCn1nc(C)c(Br)c1C(=O)N1CC(C(=O)NC(C)CCCC(C)(C)O)C2(CC[NH2+]CC2)C1,0
+Cc1ccccc1NC(=O)NNC(=O)NCC(c1ccco1)[NH+]1CCCCC1,0
+CCOc1ccc(C([NH2+]CC(=O)Nc2cc3c(cc2Cl)OCO3)C(C)C)cc1OCC,0
+CC1(C)CC([NH3+])CC(C)(CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1,0
+Cc1ccc(CCn2c(-c3csc(C)n3)cc(C(N)=O)c2C)cc1,0
+CC(=O)Nc1ccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CN)cc4)c3n2)cc1.Cl,1
+CC(c1ccc(S(N)(=O)=O)cc1)[NH+](C)CC(=O)Nc1ccc(Br)cc1F,0
+C=CCc1ccccc1Oc1ccc(C(C[NH3+])N(C)CCO)cc1,0
+COCCC[NH+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCCC3)CC(O)COCC(C)C,0
+Cc1ccc(F)cc1[NH+]=c1oc2cc(O)ccc2cc1C(N)=O,0
+Cc1sc(NC(=O)c2ccco2)c(C(c2ccc(C(F)(F)F)cc2)[NH+]2CCCCC2)c1C,0
+C[NH+](CCNC(=O)NNC(=O)CC1CCCCC1)C1CCCCC1,0
+CCC[NH+]1CCC(N2CC([NH2+]C3C4CC5CC(C4)CC3C5)CC2C(=O)NCC)CC1,0
+CC(C)[NH2+]C(CCSc1cccc(Br)c1)C(N)=O,0
+N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(F)c3)cn2CCN2CCCC2)CC1,1
+Cc1ccc(C(C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)c2c(O)cccc2O)cc1,0
+CCCC(C)([NH3+])C(=O)Nc1c(Cl)cc(Br)cc1Cl,0
+Cc1ccc(C[NH+](C)C(C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,0
+CC[NH+](C)C1(C[NH2+]Cc2cn(CCC(N)=O)c3ccccc23)CCCCC1,0
+CN(CC1CC=C(c2ccc(Cl)cc2)O1)C(=O)CN1C(=O)NC(CC2=c3ccccc3=[NH+]C2)C1=O,0
+CC1NC(c2ccccc2)=C(C(=O)NCCC2=c3ccccc3=[NH+]C2)S1,0
+CC(OCC(O)Cn1c(NCCO)[nH+]c2ccccc21)c1ccc(Cl)cc1,0
+[NH3+]Cc1ccc([N+](=O)[O-])c(OC2CS(=O)(=O)CC2O)c1,0
+CCC(CC[NH3+])NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O,0
+CCCOc1ccc(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1Cl,0
+CC1(C)CC(NC(=O)CSc2nnc(NN=Cc3c(O)ccc4ccccc34)n2N)CC(C)(C)[NH2+]1,0
+C=CCn1c(SCC(=O)Nc2cccc(C)c2)nc2scc(-c3ccc(C)cc3)c2c1=O,0
+CC1CC(=O)Nc2ncnc(N3CCC(c4nc(CCC(F)(F)F)cn4CCN4CCCC4)CC3)c21,1
+Oc1ccc(Br)cc1C=N[NH+]=C(Nc1ccccc1)c1nc2ccccc2[nH]1,0
+NC1(C(=O)NCc2ccc(Cl)cc2Cl)CCN(c2ncnc3[nH]ccc23)CC1,1
+CC1=NN(C(=O)c2ccc(N)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,1
+C[NH+]1CCCC(CNS(=O)(=O)c2ccc(N)cc2Br)C1,0
+Cc1ccc(Cl)cc1[N-]S(=O)(=O)C1C=[NH+]C(C(=O)[O-])=C1,0
+[NH3+]CCCNc1c2c(nc3cc(-c4cccc(F)c4)nn13)CCC2,0
+CC(C)(C)[NH2+]CC(=O)Nc1c2c([nH+]c3ccccc13)N(Cc1ccccc1)CC2,0
+COc1cc(C[NH2+]CC[NH2+]CCO)cc(Br)c1OCc1ccccc1F,0
+Cc1cc(Br)cc(C)c1NC(=O)C([NH3+])C(C)(C)C,0
+COC(=O)c1ccccc1NC(=O)C1=C(C)NC(=S)NC1c1cc(Cl)cc(OC)c1OC(C)C,0
+CCCCOc1ccc(S(=O)(=O)Nc2ccc(Nc3nc(N4CCCC4)cc(C)[nH+]3)cc2)cc1,0
+COc1ccc(S(=O)(=O)N2CC[NH+](C(C)C(=O)Nc3ccccc3Cc3ccccc3)CC2)cc1,0
+CCC(=O)N1CC(C(=O)NC(C)c2nc3ccc(C)cc3[nH]2)C2(CC[NH2+]CC2)C1,0
+[NH3+]CC(c1ccc([O-])c([N+](=O)[O-])c1)N1CCc2ccccc2C1,0
+Cc1ccc2ccc(C(Nc3cccc(C)[nH+]3)c3ccc(F)cc3)c(O)c2n1,0
+COc1ccc(NC=CC(=O)C2=NOC(CNc3[nH+]cc(C(F)(F)F)cc3Cl)C2)cc1,0
+CCc1ccc2c(c1)=CC(C(C1N=NNN1C(C)(C)C)[NH+](CC)Cc1ccccc1)C(=O)[NH+]=2,0
+COc1cccc(-n2cc[nH+]c2N2CCN(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)c1,0
+CC(C(=O)Nc1sccc1C(N)=O)[NH+](C)CCCOc1ccc(Cl)cc1,0
+CCOc1cc(Cl)c(S(=O)(=O)NCCC2=c3cccc(C)c3=[NH+]C2C)cc1Cl,0
+CC([NH3+])CC(=O)N1CC(C(N)=O)Oc2ccccc21,0
+Cc1cccc(NC(=O)c2ccccc2NC(=O)C[NH+](C)C(C)c2ccc(S(N)(=O)=O)cc2)c1,0
+CCC(=NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1)c1ccc(O)cc1,0
+CCCN1C(=O)NC(c2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2)C(C(=O)OCC)=C1C,0
+CCNC(=S)N=C(Nc1nc(C)cc(C)n1)NC1CC(C)(C)[NH2+]C(C)(C)C1,0
+Cc1ccc2c(c1)=C(CCN1CC(C(=O)Nc3ccc(C(N)=O)cc3)CC1=O)C[NH+]=2,0
+Cn1cc(-c2c(Br)cnn2C)cc1C(=O)NC1(c2ccc(Cl)c(Cl)c2)CCNCC1,1
+CCN1C(=O)NC(c2ccc(Cl)cc2Cl)C2=C1CN(CC(=O)N1CCN(C3CCCC3)CC1)C2=O,0
+Cc1nc2cc(NCC3CC[NH+](C(C)C)C3)c(N)cc2s1,0
+O=C(NCCc1ccccc1)c1ccc(C[NH+](Cc2ccccc2Cl)C2CCCCC2)o1,0
+[NH2+]=C(N=C1NC(C(F)(F)F)(C(F)(F)F)N=C(c2cccnc2)O1)Nc1ccccc1,0
+CN(CCOc1ccc(Br)cc1)c1ccc(C(N)=[NH2+])cc1,0
+COc1ccc(C=N[NH+]=C(N)c2nonc2N)cc1CSc1nnc(C)s1,0
+NC(=O)c1ccc(-c2cncc(OCC(N)Cc3c[nH]c4ccccc34)c2)cc1,1
+c1ccc(NCCNc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)[nH+]c1,0
+CCC([NH3+])C(c1ccccc1Br)N1CCCCC1CCO,0
+COc1ccc(CCN2C(=O)NC(C)(C3CCN(C(=O)C4=CC(=O)CC(C)(C)O4)CC3)C2=O)cc1,0
+CC(C)NCC(C(=O)N1CC2CN(c3ncnc4c3C(C)CC(=O)N4)CC2C1)c1ccc(Cl)cc1,1
+CC(C)Cn1c(=O)c2sccc2n2c(=O)n(Cc3ccc(F)cc3)nc12,0
+CC(C)CC[NH+](CCC(C)C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2cc(F)ccc21,1
+CNC(=O)C1CC(NCc2cccc(OC)c2)C[NH+]1CC(c1ccccc1)c1ccccc1,0
+Cc1cc(C(C)NS(=O)(=O)c2ccc(CC[NH3+])s2)c(C)s1,0
+CCC([NH3+])C(Sc1n[nH]c(=O)n1C(C)C)c1ccc(Br)s1,0
+C[NH+](C)CCc1ccc(NC(=O)C(=O)NCC2(O)CCCc3ccccc32)cc1,0
+C[NH+](C)C(CNC(=O)COc1cccc(C(N)=O)c1)c1cccs1,0
+NC(=[NH2+])c1c(Cl)cccc1N(Cc1cccs1)C1CC1,0
+NC(=[NH2+])c1ccc(OCc2ccc(F)cc2Br)c(Cl)c1,0
+CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=S)NC(=O)CCC3CCCCC3)cc2)cc1,0
+CCC(CC)C(=O)N1CC(C(=O)NCCC[NH+](C)C)C2(CC[NH2+]CC2)C1,0
+O=C(NCc1ccc(F)cc1)C1NC(CC2=c3ccccc3=[NH+]C2)NO1,0
+NS(=O)(=O)c1ccc(CCNC(=O)NC2CCc3ccccc32)cc1,0
+CC(C)Cc1[nH+]c(N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c(C#N)c2c1COC(C)(C)C2,0
+CC(Sc1nnc(Cc2cccs2)n1C1CCCCC1)C(=O)Nc1cc(F)ccc1F,0
+NC(=O)Cc1cccc(-c2cncc(OCC(N)Cc3c[nH]c4ccccc34)c2)c1,1
+CC12C(=O)N(CCO)CC(=O)N1CC(c1ccc(Br)cc1)C1=c3ccccc3=[NH+]C12,0
+Cc1ccc(C(C)NC(=O)C2CCC3(CC2)NC(=O)NC3=O)cc1,0
+Cn1cnc2c(C(F)(F)F)nc(Cl)nc21,0
+COc1cc(NC(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)ccc1F,1
+CCCOc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2ccc(O)c(O)c2)cc1,0
+C[NH+](C)CCOc1ccc(Cl)cc1CNS(=O)(=O)c1ccc(N)cc1,0
+NC(=O)Cc1ccc(OCC(=O)NCC2CCC[NH+]2CC2CCCCC2)cc1,0
+CC[NH+]1CCCC1CNC(=O)c1cnn(-c2ccc(C)cc2)c1C1CCN(C(=O)OC(C)(C)C)CC1,0
+CN(C)CC(=O)NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,1
+COc1cc(-c2nc3c(s2)C([NH3+])CCC3)cc(Br)c1O,0
+CCC([NH3+])C(c1ccc(Br)cc1)[NH+](C)Cc1ccoc1C,0
+CCC([NH2+]Cc1cccc(Br)c1O)c1ccc(Cl)cc1,0
+O=C(COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)NCC(=O)Nc1ccc(F)c(F)c1F,0
+CC1[NH+]=c2ccc(F)cc2=C1CCNC(N)=NS(=O)(=O)c1ccc(F)cc1,0
+Cc1ccccc1NC(=O)c1c(NC(=O)C[NH2+]Cc2ccco2)sc2c1CCC(C(C)(C)C)C2,0
+Nc1ncnc2nc(-c3ccc(CN4CCC(c5nc6ccc(F)cc6[nH]5)CC4)cc3)c(-c3ccccc3)cc12,1
+C=CCC(O)(CC=C)CNC(=O)CC1C(=O)NCC[NH+]1CC=Cc1ccccc1,0
+CCOC(=O)c1c(NC(=O)C[NH+]2CCN(c3ccc(C)cc3)C(C)C2)sc(C(N)=O)c1C,0
+CCC[NH2+]C(c1cc2[nH]c(=O)[nH]c2cc1Br)C1CCC1,0
+CCN(CC)c1ccc(C2CSCC(C(=O)NCC3CCCO3)[NH2+]2)cc1,0
+COc1ccc(OC)c(NC(=O)c2cc3cc(C4(O)CC[NH+](CC5CC=CCC5)CC4)ccc3o2)c1,0
+O=C(NCCc1ccc(O)c(O)c1)C1CN(C(=O)C2COc3ccccc3O2)CC12CC[NH2+]CC2,0
+CC(C)Oc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2n1,1
+O=C(NNC1=[NH+]CCCCC1)Nc1ccc(Cl)c(Cl)c1,0
+Cc1ccccc1CSC1N=NC(C([NH3+])CC2=c3ccccc3=[NH+]C2)O1,0
+CCc1c(N)ncnc1N1CCC(c2nc(-c3cccc(C(F)(F)F)n3)cn2CCN2CCC2)CC1,1
+CC(C)C(NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N1CC=C(C2=c3ccccc3=[NH+]C2)CC1,0
+NC1(c2ccc(-n3c(-c4cccnc4)nc4ccc(-c5ccccc5)nc43)cc2)CCC1,1
+Cc1ccccc1NC(=O)C1C(=O)CC(C)(O)C(C(=O)Nc2ccccc2C)C1c1cccc([N+](=O)[O-])c1,0
+CCn1c(-c2nonc2N)nc2c(-c3ccc[nH]3)ncc(OCCCN)c21,1
+O=P1(c2ccccc2O)N[NH+]2CC3C=C(c4ccccc4O)C(c4ccccc4O)=CC3CC2CO1,0
+NC(=O)C1CCC([NH2+]Cc2ccc(Br)s2)CC1,0
+O=C(CCC1CCCCC1)NNC(=O)NC1CCSc2c(F)cccc21,0
+CC1CC[NH+](C(C)CNC(=O)CNC(=O)c2ccc3c(c2)CCC3)CC1,0
+O=C([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)CCO3)s1,0
+NS(=O)(=O)c1ccc(CC[NH2+]C2CC(=O)N(CCc3ccccc3)C2=O)cc1,0
+O=C(NC1CCCC1)NC(C(=O)[O-])C1CC1,0
+CC(C)(C)NC(=O)NC(=O)CSC1NN=C(C2=c3ccccc3=[NH+]C2)N1C1CC1,0
+CCCCOc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4cccc(C)c4)cc3s2)cc1,0
+COc1ccc(C2[NH2+]CCc3c2[nH]c2ccccc32)cc1CN1CCN(c2ccccc2F)CC1,0
+CCc1ccc(NC(=O)Nc2ccc(C3NC(=S)N(CC)C(C)=C3C(=O)OC)cc2)cc1,0
+C[NH+](CCNC(=O)C(=O)Nc1ccccc1CC(N)=O)Cc1ccccc1,0
+C[NH2+]C(CCOc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(N)=O,0
+CC1Cc2ccc(F)cc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)[nH]1,1
+NC(=O)c1ccc(NC2CNCC2c2cccc(C(F)(F)F)c2)c2cncnc12,1
+N#Cc1c(-c2ccc(Br)cc2)nc2n(c1=O)C(=O)CS2,0
+CCOc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C)c3)cn2CCN2CCCC2)CC1,1
+COc1nc(-c2ccc(CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2)c(-c2ccccc2)cc1C#N,1
+COc1ccc2c(c1)=C1CCNC(C3C(=O)NC(=S)N(CCc4ccccc4)C3O)C1[NH+]=2,0
+CC(C)C(C(=O)NCCC1=c2cc(F)ccc2=[NH+]C1)N1NNc2ccccc2C1=O,0
+N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(OC(F)F)cc3)cn2CCN2CCC2)CC1,1
+O=C(NC(=S)Nc1ccccc1C(=O)NCCO)c1ccccc1I,0
+Cc1ccc(NC(=O)C[NH+](C)CC(=O)NC(=O)Nc2ccc(C)cc2C)cc1,0
+Cc1ccc2c(c1)=C(CC[NH2+]C1CC(=O)N(c3ccc(Oc4ccccc4)cc3)C1=O)C[NH+]=2,0
+CCCC(C(=O)NCC[NH+]1CCCC1)n1c(-c2ccc(F)cc2)cc(C(N)=O)c1C,0
+CCOc1ccccc1CN(CC1CCCO1)C(=S)NC1CC(C)(C)[NH2+]C(C)(C)C1,0
+CC1Cc2ccccc2N1C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1,1
+COc1ccc(S(=O)(=O)N=C(N)NCCC2=c3cc(F)ccc3=[NH+]C2C)cc1C,0
+O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CC(C(F)F)C2)cn1,1
+CCc1cnc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+O=C1NC(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(C(=O)c2ccccc2)C(O)(C(F)(F)F)N1,0
+CC([NH3+])C(c1cccs1)N1CCNC(=O)C1,0
+CCc1ccccc1-n1c(C(C)N(CC[NH+](C)C)C(=O)Nc2ccc(F)cc2F)nc2ccccc2c1=O,0
+C[NH+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1,0
+C[NH+]1CCCC(C[NH2+]C(C)(C(=O)[O-])c2ccc(Br)cc2)C1,0
+O=C(CCC(=O)NN=Cc1cc(Br)ccc1O)NN=Cc1cc(Br)ccc1O,0
+CC(C)C([NH2+]CC(=O)Nc1cccc(S(N)(=O)=O)c1)c1ccc(F)cc1,0
+CCOc1cc(CC(C)[NH3+])cc(Br)c1OCC=C(C)C,0
+CC1=NN(C(=O)c2ccc(O)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,1
+Nc1ccn(CC(=O)N=c2[nH]c3c(s2)CCC3)n1,0
+CCc1cc(C2=N[NH+]=C(N)C2c2nc(C)cs2)c(O)cc1OCc1ccccc1,0
+Nc1cc(Cl)c(NC(=O)C[NH+]2CCSCC2)c(Cl)c1,0
+CCCCC(C)C(=O)N1CC(C(=O)NCCNc2ccccc2)C2(CC[NH2+]CC2)C1,0
+Nc1cc2[nH]nc(Cl)c2cc1-c1cncc(OCC(N)Cc2c[nH]c3ccccc23)c1,1
+CC(c1nnc(SCC(=O)NNC(=O)c2ccccc2)n1-c1ccc(Cl)cc1)[NH+](C)C,0
+CCOc1c(Br)cc(Br)cc1C[NH2+]C(C)(C)C(N)=O,0
+COc1ccc(C#N)cc1NC(=O)NC(C)C(=O)N1CCCCC1C,0
+O=C(CNC(=O)c1cc2ccccc2[nH]1)NCCC1=c2ccccc2=[NH+]C1,0
+C=CC[NH+]=C(N)NCCc1ccc(F)c(Br)c1,0
+CC(C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1,0
+COc1ccc(C([NH3+])c2cc(Br)ccc2OC)c(OC)c1,0
+CCCCCCC(=O)N1CC(C(=O)NC(C)CCCC(C)(C)O)C2(CC[NH2+]CC2)C1,0
+CC(C)(C)c1ccc(S(=O)(=O)N2CC[NH+](CC(=O)Nc3ccccc3C(N)=O)CC2)cc1,0
+CC(C)[NH+](CCNC(=O)C1CN(C(=O)c2cccn2C)CC12CC[NH2+]CC2)C(C)C,0
+NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1,1
+Cc1cccc(NC(=O)c2ccccc2NC(=O)C[NH+](C)C(C)c2ccc(S(N)(=O)=O)cc2)c1,0
+O=C1N(CC2CC2)CCCC1(O)CNCc1ccc(Cl)s1,0
+[NH2+]=C(NN=Cc1cc(Br)ccc1O)NN=Cc1cc(Br)ccc1O,0
+CCOc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C)c3)cn2CCN(CC)CC)CC1,1
+CCC(=O)Nc1ccc(C(C)NC(=O)NCC(O)C[NH+]2CCC(C)CC2)cc1,0
+COc1ccc2cc(C(=O)Nc3ccc(F)cc3)c(=[NH+]c3ccc(S(N)(=O)=O)cc3)oc2c1,0
+CCCC(C)[NH+](C)C(C)C(=O)Nc1c(N)cc(Cl)cc1Cl,0
+CC1CC(C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccccc2CC(N)=O)C1,0
+Cc1cc(C(c2cccc(Br)c2)[NH+]2CCC(C)CC2)c(NC(=O)c2ccco2)s1,0
+NC(=O)c1ccccc1NC(=O)C[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,0
+COc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(c5nnc(-c6ccccn6)[nH]5)CC4)cc3)nc2n1,1
+O=C(C=C1CCCCC1)N1CCCN(c2nccs2)CC1,0
+C#CC[NH+](CC(=O)Nc1sccc1C(N)=O)C1CCc2ccccc21,0
+CS(=O)(=O)c1c(F)cc(NC(=O)NCc2cn3c([nH+]2)CCCC3)cc1F,0
+CC([NH+]=Cc1cc(Cl)ccc1O)c1ccc(S(N)(=O)=O)cc1,0
+O=C(c1cccc(=O)[nH]1)N1CCC2=C(C1)C(c1ccccc1)NN2,0
+O=C(OC1CCCc2ccccc21)C1CC(O)C[NH2+]1,0
+Cc1ccc(NC(=O)C[NH+](C)CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)cc1,0
+N#CC1=C(N)n2c(sc(=Cc3ccccc3F)c2=O)=C(C(N)=O)C1c1ccccc1F,0
+O=c1[nH]c2cc(Cl)cc(Cl)c2c(-c2cc(Cl)ccc2O)c1O,1
+COc1ccc(C2N=C(c3ccc(C)cc3)CC(c3cc(Cl)ccc3O)[NH2+]2)cc1Br,0
+NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=[NH+]c1ccc(S(N)(=O)=O)cc1,0
+CC(CC[NH+](C)C)NC1C(=O)Nc2c(Br)cccc21,0
+[NH-]C1=NC(=O)C2=NCN(C3OC(COP(=O)([O-])[O-])C(O)C3O)C2=N1,0
+C=CCSC1=[NH+]C2(CC(c3cccc(C)c3)c3ccc(O)c(O)c3O2)CC(C)(C)N1,0
+Cc1ccc(S(=O)(=O)N(CCCNC(=O)c2ccc3ccccc3c2)c2ccccc2)cc1,0
+CC1CCc2sc(C(=O)NNC(=O)NC(C)CC[NH+](C)C)cc2C1,0
+CCOc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)COc1ccccc1C(C)CC,0
+CN(C)CCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2C=CC2CC2)CC1,1
+NNc1nc(NN)c2c([nH+]1)CC1=C2CC(c2ccccc2)SC1c1ccccc1,0
+Cc1cccn2c(=O)c(C=C(C#N)C(=O)Nc3cccc(Cl)c3Cl)c(N3CC[NH+](C)CC3)nc12,0
+COc1cc(NC(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc(OC)c1,0
+Cc1cccc(-n2c(SCC(=O)NC34CC5CC(CC(C5)C3)C4)nnc2C2=c3ccccc3=[NH+]C2)c1,0
+Cc1ccc(S(=O)(=O)n2cc(C=CC(=O)N3CCC([NH+]4CCNC(=O)CC4)CC3)c3ccccc32)cc1,0
+NC(=O)C1Cc2ccccc2C[NH+]1CC(=O)Nc1ccccc1Sc1ccccc1,0
+Cc1c(O)c(O)c2c(c1C=O)C1OC(O2)c2c(C)c(O)c(O)c(O)c2C1=O,1
+Nc1[nH+]ccn1Cc1cc(Br)c2c(c1)OCO2,0
+CC(C)C(NC(=O)C1CN(C(=O)CCCc2ccccc2)CC12CC[NH2+]CC2)C(=O)NC(C)(C)C,0
+CC(C)(C)c1ccc2c(c1)OC(C(=O)NN=Cc1cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c1)CO2,0
+Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCc2sccc2C1C,0
+COc1cccc(NC(=O)c2cc3cccc(OC)c3oc2=[NH+]c2ccc(S(N)(=O)=O)cc2)c1,0
+CCC(C)C([NH3+])C(=O)NCCCCCC(=O)N1CCOCCOc2ccccc2OCCOCC1,0
+N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN2CCC2)CC1,1
+CCOc1cc(C2C(C#N)=C(N)OC3=NN=C(c4ccc(OC)cc4)C32)ccc1OCC(N)=O,0
+COc1ccc(C(C)[NH2+]C(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1F,0
+Cc1c(Cl)ccc2c1NC(=O)C21[NH2+]C(CC(N)=O)C2C(=O)N(c3ccc(C(N)=O)cc3)C(=O)C21,0
+Cc1ccc(Nc2nc(N)nc(C[NH+]3CCCC3c3ccc4c(c3)OCCO4)n2)cc1,0
+CC(=O)C1C2C3COC(O3)C(=O)C2C2C=Cc3ccc4ccccc4c3N21,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4cc(Cl)cc(Cl)c4)c3)cc12,1
+Cc1ccc(C(NC(=O)NCc2cccc(S(N)(=O)=O)c2)C2CC2)cc1,0
+NC(=[NH2+])NN=C1C(=O)N(Cc2ccccc2)c2ccc(Br)cc21,0
+CC(CN(C)S(=O)(=O)c1ccccc1Br)C(N)=S,0
+CC1=C(CN2CCC3=c4ccccc4=[NH+]C3C2c2cccc(O)c2)C(Cl)N(C)N1,0
+CCCC(C)([NH3+])C(=O)Nc1cc(Cl)cc(Br)c1OC(F)F,0
+CC[NH+](CC(=O)NC(=O)NCc1cccs1)CC(=O)Nc1c(Cl)cccc1Cl,0
+C=CCNC(=O)C1c2cccn2-c2ccccc2C[NH+]1C1CCN(C(C)=O)CC1,0
+Cc1ccc(NC(=O)C[NH+]2CCc3sccc3C2)cc1S(N)(=O)=O,0
+CCOC(=O)c1c(NC(=O)c2cc(Cl)cc(Cl)c2)sc2c1CC(C)(C)[NH2+]C2(C)C,0
+NS(=O)(=O)c1ccc(CC[NH2+]C2CC(=O)N(c3ccc(C(F)(F)F)cc3)C2=O)cc1,0
+Cc1ncc(CO)c2cc(C(N)=S)c(=[NH+]c3ccccc3F)oc12,0
+C[NH2+]C(C)C(=O)NC(C(=O)N1CCCC1c1nc2c(-c3ccccc3)cncc2s1)C1CCCCC1,0
+Cc1ccc(C)c(C2=NC3(CC[NH+](C(C)C)CC3)NC(c3cc(Cl)ccc3O)C2)c1,0
+CC(SC1NN=C(C2=c3ccccc3=[NH+]C2)O1)C(=O)Nc1ccc(OCc2ccccc2)cc1,0
+Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C)C(C)c1cccc(S(N)(=O)=O)c1,0
+O=C(NC1CCCC1)C(c1ccccc1F)N(C(=O)c1ccco1)c1cccc(C(F)(F)F)c1,0
+CCN(CC)c1ccc(C2Nc3ccc(Br)cc3C(c3ccccc3)[NH+]2CC(=O)OC)cc1,0
+CCOc1ccc(S(=O)(=O)N2CC[NH+](C(C)c3nc(N)nc(Nc4ccccc4)n3)CC2)cc1,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4ccc(Cl)c(F)c4)c3)cc12,1
+Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)c(F)c2)oc1Cl,1
+Cc1ccc(S(=O)(=O)N[NH+]=c2oc3c(Cl)cc(Cl)cc3cc2C(N)=O)cc1,0
+CCOc1cccc(C[NH2+]CC2NCCc3ccccc32)c1O,0
+N#CC(=Cc1c(N2CCN(Cc3ccccc3)CC2)nc2ccccn2c1=O)C(=O)Nc1cccc(Cl)c1,0
+c1ccc(-c2cc3cccnc3nc2-c2ccc(CN3CCC(c4cc(-c5ccccn5)[nH]n4)CC3)cc2)cc1,1
+CC1=C(C(=O)NNC2=NC(=O)C(C)N=[NH+]2)C(c2c(F)cccc2Cl)NO1,0
+CC([NH2+]C1CCCc2cc(O)ccc21)c1nncn1C,0
+Cc1ccc(Nc2cc(Nc3ccc(NS(=O)(=O)c4ccc(F)cc4F)cc3)nc(C)n2)cc1,0
+C=CC[NH+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)CC(O)CCC,0
+C=Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)cc3)cn2CCN2CCCC2)CC1,1
+CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(CN(C)C)cc21,1
+[NH2+]=C(NN=Cc1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1,0
+COc1ccc(NC(=S)N2CCC3(CC2)[NH2+]C(CC(C)C)C(=O)N3C(C)c2ccccc2)cc1,0
+COc1ccc2c(c1)=C(CCN(Cc1ccccn1)C(=S)Nc1cc(C)cc(C)c1)C(C)[NH+]=2,0
+CCOc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2n1,1
+CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2sc(C(=O)OC)c(C)c2C(N)=O)cc1,0
+CCCc1cc(-c2cncc(OCC(N)Cc3c[nH]c4ccccc34)c2)cc2c(C)n[nH]c12,1
+O=C(NC1CCCCC1)C1Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C3CCCCC3)CC12,0
+CCCCCC=CC(=O)N(c1ccccc1)C(C(=O)NC(C)(C)C)c1c(O)cc(O)cc1O,0
+NC1(c2ccc(-c3nc4cc(-c5cn[nH]c5)ccn4c3-c3ccccc3)cc2)CCC1,1
+Cc1nnc(NC(=O)C(C)[NH+]2Cc3nc(N)sc3C2)s1,0
+Cc1ccnc2c1nc(-c1cccnc1N)n2-c1ccc(CN)cc1.Cl,1
+[NH3+]Cc1cc(Br)ccc1OCC(=O)N1CCCCC1,0
+Cc1cc(C)n(CC(=O)NNC(=O)NC(C)C[NH+]2CC(C)CC(C)C2)n1,0
+Cc1ccccc1NC(=O)C1C(=O)CC(C)(O)C(C(=O)Nc2ccccc2C)C1c1ccc(OC(C)C)cc1,0
+Cn1cc[nH+]c1CCNC(=O)NCC1(O)CCCc2ccccc21,0
+Oc1ccccc1C[NH2+]C1C2COC(O2)C(N2CCN(c3ccccc3)CC2)C1O,0
+CCN(CC)C(=O)c1c[nH+]c2snc(C)c2c1N1CCC(C(=O)Nc2c(C)cc(C)cc2C)CC1,0
+NC(=[NH2+])NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(Br)cc2)cc1,0
+COC(=O)c1ccccc1N(C)c1nc[nH+]c(Nc2ccc(Cl)cc2C)c1N,0
+NC1(C(=O)NC(c2ccccc2)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,1
+CCN1CCN(c2ccc(-c3nn(Cc4cn(Cc5ccccc5)nn4)c4nc(NC)ncc34)cn2)CC1,1
+CCOC1C[NH+](C(CNO)c2ccc(S(=O)(=O)Oc3ccccc3)cc2)CCN1,0
+O=C1CC2OC(COCc3ccccc3)C3=C(C(=O)c4ccccc4C3=O)C2O1,1
+Cc1ccccc1-c1csc2nc(C[NH+](CC(C)C)CC(O)COC(C)(C)C)[nH]c(=O)c12,0
+CCOc1ccccc1NC(=O)N1CCC2=c3cc(Cl)ccc3=[NH+]C2C1c1ccc(OC)cc1,0
+CCCC(=O)Nc1cccc(NC(=O)NCC[NH+]2CCCC(C)C2)c1C,0
+CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1,0
+CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CNCCC(N)=O)cc3)nc2n1,1
+CC(C)Cn1c(N)c(C(=O)C[NH+]2CC3CC4CC(C3)CC2C4)c(=O)[nH]c1=O,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)c2cccc(Cl)c2F)CC12CC[NH2+]CC2,0
+CCOc1cccc(C2CC(c3ccc(Br)cc3)=NC(c3ccc(OC)c(OC)c3)[NH2+]2)c1O,0
+CN(C)c1[nH+]cccc1CNC(=O)NNC(=O)COc1ccc(C#N)cc1,0
+CC(C)[NH2+]C(C)(CCCCSc1ccc(Cl)cc1)C(N)=O,0
+Cc1ccc(NC(=O)NC(=O)C[NH+](C)CC(=O)Nc2cccc(C)c2C)c(C)c1,0
+CC1OCc2ncnc(N3CCN(C(=O)C(Cc4ccc(Cl)c(F)c4)CC(C)(C)N)CC3)c21,1
+CSc1nc([O-])c(C2NCCC3=c4cc(Cl)ccc4=[NH+]C32)c(=O)[nH]1,0
+O=C(CSc1n[nH]c(NN=Cc2cc(Br)ccc2O)n1)Nc1ccc([N+](=O)[O-])cc1,0
+CC1(C)CC(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)CC(C)(C)[NH2+]1,0
+CC(C)[NH2+]CC1OCc2c1ccc(O)c2O,0
+COc1ccc(C(CNC(=O)CN2c3ccccc3C(C(N)=O)CC2C)C2=c3ccccc3=[NH+]C2)cc1,0
+C=CC[NH+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1ccc(Cl)s1,0
+Cc1cccc(CSc2nnc(NN=Cc3cc(Br)cc(Br)c3O)[nH]2)c1,0
+Cc1ccc(COc2ccc(Cl)cc2C[NH2+]C23CC4CC(CC(O)(C4)C2)C3)cc1,0
+O=C1NC(=O)N(Cc2ccco2)C(=O)C1=CNCCN1CC[NH2+]CC1,0
+CCC[NH2+]C(c1cc[nH]n1)c1cc(Br)sc1Br,0
+CCSC1(SCC)[NH+]=C(N)C2(C#N)C(c3ccc(Cl)cc3Cl)C12C#N,0
+[NH3+]CC#Cc1cc(Cl)c(S(=O)(=O)NCC(F)(F)F)c(Cl)c1,0
+COc1c(C)c[nH+]c(CN2c3nc(N)nc(Cl)c3NC(=O)C2C)c1C,0
+CCCN(CCO)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1,0
+CCOC(=O)c1c(NC(=O)NNC(=O)c2ccc(O)cc2)sc2c1CC(C)(C)OC2,0
+O=C(COc1ccccc1)NC1c2ccccc2C2(CC[NH+](Cc3c(F)ccc(F)c3F)CC2)C1O,0
+CN1CCN(Cc2cccc3c2CCN3C(=O)Cc2nc(N3CCOCC3)cc(=O)n2C)CC1,1
+CCCc1cc(NN)c2cc(I)ccc2[nH+]1,0
+CCOc1ccc(Nc2c(C)c(NCC3CCCC[NH2+]3)c(C#N)c3ccnn23)cc1,0
+C=CCOc1c(Br)cc(C2NC(=[NH2+])Nc3nc4ccccc4n32)cc1OCC,0
+O=C1N(CC2CC2)CCCC1(O)C[NH2+]Cc1ccc(Cl)s1,0
+CCC(N)C(c1ccc(Br)s1)[NH+]1CCCC1C(=O)NC,0
+Cl.Cn1ncc(-c2ccncc2)c1-c1ccc(C(=O)NC2CNCCC2c2cccc(F)c2)s1,1
+C[NH2+]C(C)c1cc(Br)ccc1OCC(C)C(N)=O,0
+CC(=O)NC(C)C(=O)NCC1CC2c3ccccc3C1c1ccccc12,0
+CC([NH2+]CC(=O)NCCNC(=O)C[NH2+]C(C)c1ccc(F)c(F)c1)c1ccc(F)c(F)c1,0
+CCN(CC)CCNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccc(CN4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)nc2c1,1
+Cc1cc(Cl)c(C)c(S(=O)(=O)NC2CC([NH3+])C2)c1Cl,0
+O=C(CSC1NN=NN1C1CC1)NNC(=O)C1=c2ccccc2=[NH+]C1,0
+Cc1cc(Br)ccc1NC(=O)C[NH+](C)C(C)C(=O)NC(N)=O,0
+NC1(c2ccc(-c3nc4nc(-c5ccccc5)ccn4c3-c3ccccc3)cc2)CCC1,1
+Cc1cc(Br)cc2c1NC(=O)C2[NH2+]C1CCCCC1O,0
+Cc1nc(CNS(=O)(=O)c2cc(N)c(C)c(Cl)c2)cs1,0
+CCCSc1nc2n(n1)C(c1cccc(OC(C)C)c1)C(C(=O)Nc1ccccc1OC)=C(C)N2,0
+CCN(CC)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(Br)cc2)c1,0
+C[NH+](CC(=O)Nc1ccccc1C(N)=S)Cc1cccs1,0
+CCCCNc1nc2c(s1)CC1C(C)(CO)C(O)CCC1(C)C2CC(=O)NCC[NH+]1CCOCC1,0
+CC(C(=O)Nc1sc2c(c1C(N)=O)CCC2)[NH+]1CCN(S(=O)(=O)c2ccccc2)CC1,0
+CC1=NN2C(=S)SC(C)(C)C2[N+]([O-])=C1C,0
+Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CC(=O)Nc2ccccc2)cc1,1
+CCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(-c2ccc(N3CC[NH+](C)CC3)nn2)cc1,0
+Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2-c2ccc(F)cc2)CC1,1
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1ccc(F)c(CO)c1,1
+CC(C(=O)NCC[NH+]1CCCC1)C1CCC2(C)CCC(NS(C)(=O)=O)C(C)C2C1O,0
+O=C(c1ccco1)N1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1,1
+CC(C)CC[NH+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)CC(O)COCc1ccccc1,0
+COC(=O)C[NH+]1C(c2ccc(Br)cc2)Nc2ccc(Br)cc2C1c1ccccc1,0
+CC(C)OCCCN1C(C)C(C)C(C2[NH+]=c3ccccc3=[NH+]2)C1NC(=O)c1ccco1,0
+NC1(c2ccc(-c3nnc4n3-c3cnccc3Nc3ccccc3-4)cc2)CCC1,1
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2c(OC(F)(F)F)cccc21,1
+Cc1nc(-c2cnccn2)sc1C1CSCC(C(=O)NCCc2ccc(O)cc2)[NH2+]1,0
+CC(O)(c1ccc(Br)cc1)C(C[NH2+]CCCCO)c1ccccc1,0
+Oc1ccc(Br)cc1C=[NH+]CCCCCC[NH+]=Cc1cc(Br)ccc1O,0
+CNC(=O)C(C#N)=NN=C1[NH+]=CNC1C(=O)Nc1cccc(C)c1,0
+CCOC(=O)c1c(NC(=O)CSc2nc(C)cc(N)n2)sc2c1CC(C)(C)[NH2+]C2(C)C,0
+NC1(c2ccc(-c3nn4c(-c5ccc(F)cc5)c(Cl)nc4cc3-c3ccccc3)cc2)CCC1,1
+COc1ccc(CCC(=O)NCCC(=O)N2CCC3(CC2)NCCc2[nH]c[nH+]c23)cc1,0
+Cc1ccc(N)cc1NC(=O)CCn1cc(Br)ccc1=O,0
+CCC(=O)Nc1ccc(NC(=O)NCC(C)[NH+]2CCc3ccccc3C2)cc1C,0
+NC(=O)c1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1,1
+CCC(C)C[NH+](C)CCCC(=O)Nc1ccc(N)cc1Cl,0
+[NH3+]CC(c1ccccc1Br)N1CCN(CCO)CC1,0
+CNC(=S)N1N=C(C2C(=O)[NH+]=c3ccc(Cl)cc3=C2c2ccccc2)CC1c1ccc(N(C)C)cc1,0
+CCC[NH+]1Cc2cccc(NC(=O)C(=O)NC(C)CCc3ccc(O)cc3)c2C1,0
+Cc1cccc(C2=NN3C(=[NH2+])C(=Cc4cc(C)n(-c5ccc(F)c(Cl)c5)c4C)C(=O)N=C3S2)c1,0
+Cc1c(C(=O)NN2CC[NH+](C)CC2)oc2c1C(=NNC(=O)C(c1ccccc1)c1ccccc1)CCC2,0
+Nc1ncnc(N2CCC(c3nc(-c4ccc(F)cc4)cn3CCN3CCCC3)CC2)c1Cl,1
+CC(C)(C)NC(=O)C(c1c(O)cc(O)cc1O)N(Cc1ccco1)C(=O)CCC1CCCCC1,0
+Cc1c(NC(=O)C(C)OC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)c(=O)n(-c2ccccc2)n1C,0
+CC(C)C(NC(=O)C1CCC(C(C)(C)C)CC1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1,0
+CCN1CCC([NH+](C)Cc2ccc(C(N)=S)cc2)CC1,0
+CC(C)c1ccc(C[NH+](C)C(C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1,0
+CCn1c(-c2nonc2N)nc2cncc(OC3CCNCC3)c21,1
+CCN(CC(=O)NC(C)C)C(=O)c1c(C)oc2nc[nH]c(=O)c12,0
+NS(=O)(=O)c1ccc(C[NH2+]CC2(O)CCC[NH+]3CCCCC32)cc1,0
+NS(=O)(=O)c1ccc(CCNC(=O)C[NH+]2CCc3sccc3C2c2cccs2)cc1,0
+CCOc1ccc(C2NNC(=S)N2NN=CC2=c3ccccc3=[NH+]C2)cc1,0
+COc1ccccc1N(CC1C=c2ccc(C)cc2=[NH+]C1=O)C(=O)c1ccccc1Br,0
+CC(OCC(O)C[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)c1ccc(Cl)cc1,0
+COc1ccc(C2CCC[NH+]2CC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1,0
+C#CCNC(=O)C(CC1=c2ccccc2=[NH+]C1)NC(=O)c1cccs1,0
+CC[NH+](CC)C(CNC(=O)NCC(O)c1ccc(F)c(F)c1)c1ccsc1,0
+CNC(=O)C1N(C2CCCCC2)C(=O)C2([NH3+])N(C)c3ccccc3C12C(=O)NC,0
+CN(C)C(=O)c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+CC(C(=O)NC(=O)NC(C)(C)C)N1CC[NH+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1,0
+NC(Cc1cccc(Cl)c1)C(=O)N1CCN(c2ncnc3ccccc23)CC1,1
+Cc1ccc(NC(=O)CSc2nc3[nH]nc(C)c3c(=[NH2+])n2-c2ccccc2C)cc1C,0
+Cc1cc(C[NH+](C)CC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc(C)c1OCC(F)(F)F,0
+CN(C)CCN1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7cc[n+]([O-])cc7)[nH]6)CC5)cc4)nc3n2)CC1,1
+COC(=O)C(CCCNC(N)=[NH2+])NC(c1ccc(C)cc1)(c1ccc(C)cc1)c1ccc(C)cc1,0
+c1ccc(-c2cc3cccnc3nc2-c2ccc(CN3CCC(c4cc(-c5ccccn5)[nH]n4)CC3)cc2)cc1,1
+Cc1cc(C(C)NS(=O)(=O)c2cc(N)ccc2Cl)c(C)o1,0
+COCC(=O)Nc1ccc(NC(=O)NCC(C(C)C)[NH+]2CCC(C)CC2)cc1,0
+NC1(c2ccc(-c3nn4c(-c5ccc(S(N)(=O)=O)cc5)cnc4cc3-c3ccccc3)cc2)CCC1,1
+COc1ccc(C(NC(=O)c2ccc3cnccc3c2)C2CCNCC2)cc1F,1
+Nc1c(NCCC2=CCCCC2)nc[nH+]c1NN(c1ccccc1)c1ccccc1,0
+CC([NH3+])C(c1cccc(Br)c1)[NH+](CCO)C1CCCCC1,0
+NC(CNc1ncc(-c2ccc3[nH]c(=O)sc3c2)s1)Cc1ccc(C(F)(F)F)cc1,1
+CC(C)[NH+](C)CCCCn1c(N)nc2cc(Br)ccc21,0
+Cc1ccc(Cn2nc(C)c(C(=O)NCC(c3ccccc3Cl)[NH+](C)C)c2Cl)cc1,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1ccc(F)c(C(F)(F)F)c1,1
+CCOc1cccc(C2CC(c3cccc(OC)c3)=NC(c3ccccc3OC)[NH2+]2)c1O,0
+NC(=O)C[NH+]1CCCC(NCc2ccc(OCCO)cc2Br)C1,0
+Cc1ccc(S(=O)(=O)N=C2N=c3ccccc3=[NH+]C2Nc2ccc(Br)cc2F)cc1,0
+NC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CC2CCN2)CC1,1
+CCN(CC)c1ccc(C=[NH+]CC(O)c2ccc(F)c(F)c2)c(O)c1,0
+COc1ccccc1C(Nc1cccc[nH+]1)c1c(NC(=O)c2ccco2)sc2c1CCCC2,0
+CCCOc1ccc(Br)cc1C[NH2+]C1CCCCC1O,0
+O=C(CNc1ccc(I)cc1)NNC1=[NH+]CCC1,0
+CC(c1cccc(S(N)(=O)=O)c1)[NH+](C)CC(=O)NCc1ccco1,0
+COc1ccc2c(c1)OC1(CC[NH+](CC(O)c3ccc4c(c3)CCCC4)CC1)CC2O,0
+CSc1ccccc1NC(=O)C[NH+](C)CC(=O)NC(=O)NCCc1cccs1,0
+CC1CCc2c(sc(NC(=O)C[NH+]3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)c2C(N)=O)C1,0
+COc1ccc2c(c1)=C1CCN(C(=O)CSCc3ccc(F)cc3)C(c3ccc(F)cc3)C1[NH+]=2,0
+OC(C[NH2+]C1CCCc2ccccc21)COC1CCCc2ccccc21,0
+Cc1sc(NC(=O)C(C)C)c(C(=O)NC2CC(CO)[NH+](C)C2)c1C,0
+CCCC[NH+]1CCCCC1CNC(=O)NC1CCCc2[nH]c(=O)ccc21,0
+O=C(C[NH+]1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)NN=CC=Cc1ccccc1,0
+NC1=C(C(=O)c2ccc(Cl)cc2)SC(Nc2ccccc2)C1C1[NH+]=c2ccccc2=[NH+]1,0
+Cc1ccc(-c2c(N)ncnc2N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3C)CC2)s1,1
+Cc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(N)=O)c1-c1ccc(CC(C)C)cc1,0
+Nc1ncccc1-c1nc2ccc(Nc3ccccc3)nc2n1-c1ccc(C2(N)CCC2)cc1,1
+Cc1ccc([N+](=O)[O-])c(NC(=O)C[NH+](C)C(C)c2ccc(S(N)(=O)=O)cc2)c1C,0
+Cc1ccc2ccc(C(Nc3cccc[nH+]3)c3ccc(F)cc3)c(O)c2n1,0
+CCCC(C[NH3+])(CCC)C(=O)Nc1cc(F)c(F)cc1F,0
+Nc1ncnc(N2CCC3(CCCN(CC(O)CNS(=O)(=O)c4ccccc4Cl)C3)C2)c1C1CC1,1
+CC1CCCC[NH+]1CCNC(=O)CN1C(=O)NC2(CCCCC2)C1=O,0
+COc1ccc(C=C(NC(=O)c2cccc(C)c2)C(=O)Nc2ccccc2OC)c(OC)c1,0
+CCc1ccccc1N1C(=O)N2CC(c3ccccc3OC)C3=c4ccccc4=[NH+]C3C2(C)C1=O,0
+COc1ccc(C2N=C(c3ccccc3)CC(c3cc(Cl)ccc3O)[NH2+]2)cc1OC,0
+CCOc1cc(C[NH2+]CCNCCO)cc(Br)c1OCc1c(F)cccc1Cl,0
+CCCN1NC(C(=O)NCC(C2=c3ccccc3=[NH+]C2)c2ccccc2Cl)c2ccccc2C1=O,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4ccc(Cl)c(Cl)c4)c3)cc12,1
+Nc1c(-c2cncc(OCC(N)Cc3c[nH]c4ccccc34)c2)ccc2cnccc12,1
+NC1=[NH+]C(C(O)c2ccccc2)C(c2ccc(-c3ccccc3)cc2)S1,0
+CC(C(=O)Nc1sc2c(c1C(N)=O)CCC2)[NH+]1CCC(NS(C)(=O)=O)CC1,0
+CC(C)c1cc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4Cl)CC3)n2)ccn1,1
+COc1cccc(C(Nc2cc(C)cc[nH+]2)c2ccc3cccnc3c2O)c1,0
+CSC1OC(C(NC(=O)c2cc(C(C)(C)C)ccn2)C(C)Cl)C(O)C(O)C1O,0
+CCC1(c2ccc(OC)cc2)NC(=O)N(CC(=O)Nc2sccc2C(N)=O)C1=O,0
+O=C1N=C([O-])C(=CC=CNc2ccccc2)C(=O)N1c1ccccc1,0
+CCOC(=O)c1c(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)sc(C)c1C,0
+COC(=O)c1ccc(NC(=O)C(=O)NCC(c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)cc1,0
+C[NH+](C)C(CNC(=O)Nc1ccc(OCC(N)=O)cc1)c1ccsc1,0
+CCC(C)[NH+]1CCN(C(C[NH3+])c2cc(Br)c(Br)o2)CC1,0
+CCC([NH3+])C(c1cc(Br)cs1)N1CCCC(CO)C1,0
+CC(C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCCC(C(=O)NC2CC2)C1,0
+Cc1ccc(F)cc1CC(N)COc1cncc(-c2ccc3[nH]nc(C)c3c2)c1,1
+CCC([NH3+])C(OCCc1cccs1)c1cc(Br)cs1,0
+CNCC(Cc1ccccc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,1
+CC([NH2+]CCOc1ccccc1F)C(=O)Nc1ccc(S(N)(=O)=O)cc1,0
+CC([NH2+]CC(=O)N1CC(C(N)=O)Oc2ccccc21)c1ccccc1Cl,0
+CCCC[NH2+]C1(P(=O)([O-])O)CC(C)(P(=O)([O-])O)P(=O)([O-])OP1(=O)[O-],0
+CC(C)NC(=O)c1cccc(CNC(=O)NCCC[NH+](C)C2CCCCC2)c1,0
+NC1(C(=O)NCc2ccc(Cl)cc2Cl)CCN(c2ncnc3[nH]ccc23)CC1,1
+Cc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3cc(C)nn3-c3nc4c(C)cc(C)cc4s3)C2)cc1,0
+NC(=O)c1ccc(NCCc2cccc(F)c2)c2cncnc12,1
+O=S(=O)(Oc1ccc(C=NNc2nc(-c3ccc(Br)cc3)cs2)cc1)c1ccccc1,0
+CC([NH2+]CCCS(N)(=O)=O)c1sccc1Br,0
+[NH3+]CCc1nc(NCC2=CN=NC2c2cccs2)c2ccccc2n1,0
+COC(=O)c1ccc(C([NH2+]Cc2ccccc2)C(C[NH2+]Cc2ccccc2)C(=O)[O-])cc1,0
+Cc1nn(C)c(C)c1CCNC(=O)NCC(O)C[NH+]1CCC(C)CC1,0
+Cc1cccc2cc(C(c3nnnn3C(C)(C)C)[NH+](Cc3ccccc3)Cc3ccccc3Cl)c(=O)[nH]c12,0
+NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1,1
+Cc1ccc(C)c2[nH]c(=O)c(CN(CCC[NH+](C)C)C(=O)Nc3ccccc3Cl)cc12,0
+COc1cccc(Oc2c(C(F)(F)F)oc3c(C[NH+](CC(C)C)CC(C)C)c(O)ccc3c2=O)c1,0
+CC(C)CC([NH2+]C1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1)C(N)=O,0
+CC[NH+]1CCc2c(sc(NC(=O)C3CCCN3S(=O)(=O)c3ccc(Cl)s3)c2C(N)=O)C1,0
+NC(=O)NC(c1ccc(O)cc1)c1cc2c(cc1O)OCO2,0
+CCC(CC)(CNC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12)[NH+](C)C,0
+O=C(C=C1CSC(c2ccccc2)N1)NNC(=O)C1=c2ccccc2=[NH+]C1,0
+COc1ccc(S(=O)(=O)Nc2cc(-c3ccc4nc(NC(C)=O)sc4c3)cnc2Cl)cc1,1
+N#Cc1cccc(-c2cccc3c2nn2cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nc32)c1,1
+CC(C)[NH+](CCn1c(SCC(=O)Nc2sccc2C(N)=O)nc2ccccc2c1=O)C(C)C,0
+CC(C)Oc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[NH+](C(C)C)C3)cc1,0
+CCOc1ccc(-c2nc(S(=O)(=O)c3ccc(Br)cc3)c(NCCC[NH+](C)C)o2)cc1,0
+C[NH+](C)C(CNC(=O)NCC1(O)CCCc2ccccc21)c1cccs1,0
+CC(C)(NC(=O)NCCC1CCCC1)C(=O)[O-],0
+Cc1n[nH]c(C)c1C(C)NC(=O)C1CN(C(=O)C2CC=CCC2)CC12CC[NH2+]CC2,0
+CC1(C)CC(=O)C2=C(C1)OC(N)=C(C(N)=O)C2c1cccc(Cl)c1Cl,0
+Cl.Cn1ncc(Cl)c1-c1ccc(C(=O)NC2CNCCC2c2ccc(Cl)c(C(F)(F)F)c2)s1,1
+NC(=O)CC1CCN(C(=O)NCC(c2ccco2)[NH+]2CCCC2)CC1,0
+CC(C)CC1CSC(NCc2ccc(S(N)(=O)=O)cc2)=[NH+]1,0
+CC(C)CCOc1ccc(C(C)[NH2+]C(C(N)=O)c2ccc(F)cc2)cc1,0
+COCc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,1
+CC1CCCC2(C)CC3OC(=O)C(C[NH+]4CCC(C(O)(c5ccccc5)c5ccccc5)CC4)C3C=C12,0
+NS(=O)(=O)c1ccc(NC2CC[NH+](C3CC3)C2)c(Br)c1,0
+Cc1ccc(CN2C(=O)c3ccccc3N3C(CCC(=O)NCCC4=c5ccccc5=[NH+]C4)N=NC23)cc1,0
+CC(C)CC(C)NC(=O)NC1(C(=O)[O-])CCC(C)CC1,0
+CNC(=O)CC1C(=O)NCC[NH+]1CC(=O)Nc1cc(OC)cc(OC)c1,0
+C[NH+]1CCc2c(sc(NC(=O)c3ccccc3Oc3ccccc3)c2C(N)=O)C1,0
+COc1cc(OC)cc(C(=O)N2CC(C(=O)NC(C)CCCC(C)(C)O)C3(CC[NH2+]CC3)C2)c1,0
+[NH3+]Cc1ccc([N+](=O)[O-])c(OC2CS(=O)(=O)CC2O)c1,0
+OC(C[NH2+]Cc1ccc(Cl)c(F)c1)CN1CCc2ccccc2C1,0
+COc1ccccc1C(C)[NH2+]CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F,0
+NS(=O)(=O)c1ccc(CCNC(=O)C[NH+](Cc2cccs2)CC2CCCO2)cc1,0
+CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc4[nH]cnc4c3)sc2c1,0
+Cc1ccsc1C(=O)NNC(=O)NCCC[NH+]1CCc2ccccc2C1,0
+CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccc(-c5ccn[nH]5)cc3-4)cc2)C1,1
+CC(NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)c1ccc(Cl)c(Cl)c1,0
+NC(=O)c1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1,1
+CNC(=O)C1CC(n2cc(CNS(=O)(=O)c3cc(C)ccc3F)nn2)C[NH2+]1,0
+CC[NH+]1C(SCc2nc3ccccc3c(=O)[nH]2)NNC1c1ccccc1,0
+COc1ccc(OC)c(C2C3=C(Nc4nnnn42)c2ccccc2OC3c2ccc(Br)cc2)c1,0
+NC(=O)COc1ccc(C=CC(=O)NCC(c2cccs2)[NH+]2CCCC2)cc1,0
+COCCN1C(=O)C2C(C(O)c3ccc(Cl)cc3)[NH2+]C3(C(=O)Nc4ccccc43)C2C1=O,0
+CC(C)(CO)[NH2+]CC(O)CCOC1CC2CCC1(C)C2(C)C,0
+Oc1ccc(C[NH2+]Cc2ccc(Br)s2)cc1O,0
+NC(=O)c1ccc(S(=O)(=O)N=c2[nH]c(C[NH+]3CCCCCC3)cs2)cc1,0
+O=C(NCC[NH+]1CCc2ccccc2C1)Nc1ccccc1C(F)(F)F,0
+CC1CC(C)C[NH+](CC(C)Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1,0
+COc1ccc(C=C(NC(=O)c2cccc(C)c2)C(=O)NCCC2=c3ccccc3=[NH+]C2)cc1,0
+CCC(C)C([NH3+])C(=O)NCCC(=O)N1CCOCCOCCOCCOCC1,0
+CCCc1ccc(C(C)[NH2+]CC(=O)N=c2[nH]c(-c3ccc(Br)cc3)cs2)cc1,0
+CCOC(=O)c1ccc(S(=O)(=O)N2CC[NH+](CCn3nc(-c4ccc(OC)cc4)ccc3=O)CC2)cc1,0
+C[NH+]1CCc2c(sc(NC(=O)C3CCCN(S(=O)(=O)c4cccs4)C3)c2C(N)=O)C1,0
+NC(COc1cncc(C=Cc2ccnc(Oc3ccccc3)c2)c1)Cc1c[nH]c2ccccc12,1
+CC[NH+]1CCCC1CNC1C(=O)Nc2cccc(Br)c21,0
+Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2C(N)=O)CC1,1
+COc1cccc(N2CC[NH+](CC3CN(C(=O)c4cccs4)CC3c3cccc(C(F)(F)F)c3)CC2)c1,0
+Cc1cccc(-c2nc(C3CN(Cc4ccc(-c5nc6nc(C7CC7)nn6cc5-c5ccccc5)cc4)C3)n[nH]2)n1,1
+CCOc1cc(C2Nc3ccccc3NC3=C2C(=O)CC(c2ccc(OC)cc2)C3)ccc1OC(C)=O,0
+COc1ccc(CCN2CC(=O)N3C(CC4=c5ccccc5=[NH+]C4C3c3cc(OC)ccc3OC)C2=O)cc1,0
+CCCC(C)NC(=O)C1CCC[NH+](C(C(=O)NC(N)=O)c2ccccc2)C1,0
+CC([NH3+])C(c1ccc(Br)s1)N(C)Cc1ccc(Br)cc1,0
+CCOC(=O)C[NH+]1C(c2ccc(O)cc2)Nc2ccc(Br)cc2C1c1ccccc1,0
+CC(C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(C(O)c2ccc(Cl)cc2)CC1,0
+Cc1ccccc1C[NH+]1CCN(CC(=O)Nc2sc(C(N)=O)c(C)c2C(=O)OC(C)C)CC1,0
+O=C(NC1CCOCC1)NC1CCC(C(=O)[O-])CC1,0
+CC[NH+]1CCN(C(c2cccs2)C(C)NC(=S)Nc2ccc(Br)cc2)CC1,0
+CC(NC(=O)OC(C)(C)C)C1CCCC[NH+]1Cc1nc2sc3c(c2c(=O)[nH]1)CCC3,0
+CCC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccncc3-4)cc2)C1,1
+COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)C2Oc3ccccc3OC2C)c1,0
+COc1ccc(CCNC(=O)C2CN(C(=O)c3cc(F)cc(C(F)(F)F)c3)CC23CC[NH2+]CC3)cc1,0
+NC(=[NH+]CC1CCCO1)SCc1nc2ccccc2c(=O)[nH]1,0
+S=C1NNC(C2N=NC3=C2CCC3)N1N=CC1=c2ccccc2=[NH+]C1,0
+C[NH+](CCCNC(=O)C(=O)Nc1ccccc1CC(N)=O)CC(F)(F)F,0
+COc1ccc(C([NH3+])c2cc(Br)sc2Br)c(OC)c1OC,0
+CC(CNS(=O)(=O)c1c(Br)cc(N)cc1Br)[NH+](C)C,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4c(F)cc(F)cc4Br)c3)cc12,1
+CC1CCC2(CC1)NC(=O)N(NC(=O)C[NH+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1)C2=O,0
+CN(C)c1ccc(C(CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)C2=c3ccccc3=[NH+]C2)cc1,0
+CC1Cc2c(F)cccc2N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)[nH]1,1
+N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CC2CCN2)CC1,1
+CC(C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[NH+](C)CC(=O)NC(C)(C)C,0
+Cc1ccc(C(C(=O)NC(C)(C)C)N(Cc2ccc(C)o2)C(=O)c2cccc(O)c2O)c(C)c1,0
+COC(=O)c1c(NC(=O)CN2CC[NH+](C(C)C(=O)NC3CC3)CC2)sc2c1CCC(C)C2,0
+O=C(CSC1[NH+]=c2ccccc2=[NH+]1)Nc1ccc2nc(SCC(=O)NC3CC3)sc2c1,0
+CC(C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+]1CC=C(c2ccc(O)cc2)CC1,0
+CCOC(=O)C(NC(=O)c1ccccc1Cl)([NH2+]CCc1ccccc1)C(F)(F)F,0
+CN(C)C(=O)N1CCC(C(=O)N(C)c2cccc3ccccc23)CC1,0
+C[NH+]1CCCCC1CNS(=O)(=O)c1cc(Br)cnc1N,0
+COc1ccc(C2Nc3ccccc3NC3=C2C(=O)CC(c2ccc(C(C)(C)C)cc2)C3)c(OC)c1OC,0
+Cc1cccc(-c2n[nH]c(=S)n2CC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1,0
+[NH3+]CCCCNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl,0
+O=c1[nH]c2ccc(S(=O)(=O)N3CCOC(c4ccccc4F)C3)cc2[nH]1,0
+CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(=S)nc(N)c32)cc1,0
+COc1cccc(NC(=O)c2cc3ccc(OC)cc3oc2=[NH+]c2ccc(S(N)(=O)=O)cc2)c1,0
+CCCCN(C(=O)C[NH+](C)C(C)c1ccc(Cl)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,0
+CCOCN(C(=O)CSC1[NH+]=c2ccc(OCC)cc2=[NH+]1)c1c(C)cccc1CC,0
+CNS(=O)(=O)c1cccc(C(C)[NH2+]Cc2cc(Cl)ccc2O)c1,0
+N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN)CC1,1
+CSc1cccc(NC(=O)C(=O)NCC(c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)c1,0
+CCCC(C)C(=O)N1CC(C(=O)NC(C)CCCC(C)(C)O)C2(CC[NH2+]CC2)C1,0
+C[NH+](CC(=O)Nc1ccccc1SCC(N)=O)Cc1ccccc1Cl,0
+COC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc(CSc2ccc(Br)cc2)c(C)cc1C,0
+CCc1c(N)ncnc1N1CCC(c2nc(-c3cccc(OC(F)(F)F)c3)cn2CCN2CCC2)CC1,1
+Cc1n[nH]c2c[n+]([O-])c(-c3cncc(OCC(N)Cc4ccccc4)c3)cc12,1
+NC(NCC1(c2ccc(Br)cc2)CCC1)=[NH+]CC1CCCO1,0
+CCCCC(C)C(=O)N1CC(C(=O)NCCCO)C2(CC[NH2+]CC2)C1,0
+O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4cc5[nH]cnc5cc4nc3-c3ccccc3)cc2)CC1,1
+CC[NH+]1CCN(c2nc3sc(C)c(C)c3c(=O)n2CC(N)=O)CC1,0
+Cc1cc(S(=O)(=O)NCC(c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)c(Cl)cc1Cl,0
+CC1(C)CC(NC(=O)N2CCC(NC(=O)CC3CCCC3)CC2)CC(C)(C)[NH2+]1,0
+COCC(C)Nc1nc[nH+]c(NN(c2ccccc2)c2ccccc2)c1N,0
+CC[NH2+]C(C)c1cc(Br)ccc1OC(C)C(=O)NC(C)C,0
+COC(=O)N1CCCC(NC(=O)C(C)NC(=O)C2CCOCC2)C1,0
+O=C(CC[NH+]1CCCC(C(=O)NC2CC2)C1)Nc1ccc(Cl)cc1F,0
+CC(C)c1ccc(C(C)[NH2+]CC(=O)Nc2ccccc2SCC(N)=O)cc1,0
+CCOC(=O)C1=C(CN2CC[NH+](CC(=O)Nc3cccc(C)c3C)CC2)NC(=O)NC1c1ccco1,0
+O=C(CSC1=NNC(Cc2cc(=O)[nH]c(=O)[nH]2)N1c1ccc(Cl)cc1)Nc1ccccc1F,0
+CC(OC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)=[NH+]C(=O)[NH+]=3)cc1)C(N)=O,0
+NC(=O)c1ccsc1NC(=O)CN1CCN(Cc2cn3ccccc3[nH+]2)CC1,0
+O=C(NNC(=O)C1C=c2cc(OC(F)(F)F)ccc2=[NH+]1)Nc1ccc(OC(F)(F)F)cc1,0
+NC(=O)C([NH2+]C1CCCC1)c1cc(Cl)c2c(c1)OCCO2,0
+NC1(c2ccc(-c3nc4ccc(-c5cccnc5O)cn4c3-c3ccccc3)cc2)CCC1,1
+Cl.Cl.NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1,1
+CNS(=O)(=O)Cc1ccc(CNC(=O)NCC(c2cccs2)[NH+]2CCCC2)cc1,0
+CCOc1cc(C[NH2+]C(C)C23CC4CC(CC(C4)C2)C3)ccc1OCC(=O)NC(C)(C)C,0
+COc1ccccc1NS(=O)(=O)c1ccc2oc(Nc3ccc(Cl)c(C(F)(F)F)c3)nc2c1,0
+Cc1cc(C(C)NC(=O)NCC(O)C[NH+]2CCC(C)CC2)c(C)o1,0
+CC(C)CC(C(=O)NC(C)CCc1ccccc1)N1C(=O)N2CCC3=c4ccccc4=[NH+]C3C2(C)C1=O,0
+O=C(CCC(=O)N1CCN(C2Nc3cccnc3S2)CC1)NCCC1=c2cc(Cl)ccc2=[NH+]C1,0
+CC(CCc1ccccc1)NC(=O)c1ccccc1N1C(=O)N2CCC3=c4ccccc4=[NH+]C3C2(C)C1=O,0
+NCC(C(=O)N1CCN(c2ncnc3[nH]cc(Cl)c23)CC1)c1ccc(Cl)c(Cl)c1,1
+COc1cccc(NC(=O)C[NH+](C)CC(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)c1,0
+COc1ccc2[nH]c3c(c2c1)CC[NH2+]C3c1c(O)nc(O)n(-c2cc(Cl)ccc2C)c1=O,0
+NC(=O)C[NH+]1CCCC(NCc2ccc(Oc3cc(F)cc(F)c3)cc2)C1,0
+Nc1ccc(S(=O)(=O)Nc2nncs2)cc1,1
+CC(=O)N1CCc2c(sc(NC(=O)C(C)[NH3+])c2C(=O)c2ccccc2Cl)C1,0
+CC(C)C(NC(=O)C1CN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC12CC[NH2+]CC2)C(=O)NC(C)(C)C,0
+NC(=O)NC(=O)CN1CCN(c2ccc(N)c[nH+]2)CC1,0
+Nc1ncnc(N2CCC(c3nc(-c4ccc(Cl)c(F)c4)cn3CCN3CCCC3)CC2)c1Br,1
+Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(S(N)(=O)=O)cc1,0
+Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CCN3CCC3)CC2)c1Cl,1
+CC([NH2+]CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)c1ccc2ccccc2c1,0
+Cc1sc2nc(C[NH+]3CCN(C(=O)c4cc5c(C)nn(CC(C)C)c5s4)CC3)[nH]c(=O)c2c1C,0
+COc1ccc(C2CCC[NH+]2CC(=O)Nc2sc3c(c2C(N)=O)CCC3)c(OC)c1,0
+CC(C)(C)CC(C)(C)NC(=O)C(c1c(Cl)cccc1Cl)N(Cc1ccco1)C(=O)c1ccc(O)cc1,0
+Cl.Cn1ncc(CO)c1-c1ccc(C(=O)NC2CNCCC2c2cccc(F)c2)s1,1
+COc1ccc(CCNC(=[NH2+])NCc2nn(-c3ccccc3)c3c2CCC3)cc1,0
+CCC([NH3+])C(c1cc(Br)cs1)N(C)c1ccc(C#N)cc1,0
+Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CCN3CCC3)CC2)c1Br,1
+C[NH+](Cc1ccccc1)C1C(CNC(=O)Nc2ccc(F)cc2F)OC(CO)C1O,0
+O=C(Cc1csc(NC(=O)c2ccsc2)n1)NCC1[NH+]=c2ccccc2=[NH+]1,0
+NC(COc1cncc(-c2ccc3c(c2)CC(=O)N3)c1)Cc1ccccc1,1
+Cc1ccc(C(=O)C(C)OC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1,0
+COc1ccc2c(c1)=[NH+]C(C(=O)NCc1ccc(OC(C)C)cc1)C=2Sc1ccccc1,0
+Cc1ccc(CN2CCN(C(=O)C(C)N3CC4=C(C3=O)C(c3ccccc3Cl)NC(=O)N4C)CC2)cc1,0
+CC(C)(C)c1cc(C2CS(=O)CC(C(=O)NCc3ccccn3)[NH2+]2)cc(C(C)(C)C)c1O,0
+CCc1nc(NC(CNC)c2cccc(F)c2)c2cccc(C(N)=O)c2n1,1
+COC(=O)NNC(=O)NC(C)c1ccc(F)cc1F,0
+COc1cc2c(cc1OC)C(C1C=c3cc(C)ccc3=[NH+]C1=O)N(C(=S)NCC1CCCO1)CC2,0
+Cc1ccc(NC(=O)NC(=O)C(C)SC2NN=C(C3=c4ccccc4=[NH+]C3)N2C2CC2)c(C)c1,0
+CC1CC(C)C[NH+](C(C)(C)CNC(=O)Nc2ccc(OCC(N)=O)cc2)C1,0
+NC(=O)Nc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1,1
+O=C([O-])COc1ccccc1C=NNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1,0
+Cc1nc2nc(-c3ccc(CN4CCC(c5nc6ccc(C#N)cc6[nH]5)CC4)cc3)c(-c3ccccc3)cn2n1,1
+COc1cccc(C(=O)Nc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)c1,1
+CCCC1OC(CC(=O)O)CC2=C1C(=O)c1c(O)cccc1C2=O,1
+Cc1n[nH]c2ccc(-c3cc(OCC(N)Cc4ccccc4)cnc3-c3cc(Cl)ccc3O)cc12,1
+O=c1c(-c2ccc(Br)cc2)coc2c(CN3CCN(c4cccc[nH+]4)CC3)c(O)ccc12,0
+CCC(CO)[NH2+]Cc1cc(Br)ccc1OCC(=O)NC(C)(C)C,0
+CNS(=O)(=O)c1ccc(C(C)[NH2+]Cc2c(C)nn(CCO)c2C)cc1,0
+Clc1ccc(N2C(SCC3[NH+]=c4ccccc4=[NH+]3)NNC2c2cc[nH+]cc2)cc1,0
+N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(OC(F)F)c(F)c3)cn2CCN2CCC2)CC1,1
+CCCCNC(=O)CSc1nc2n[nH]c(C)c2c(=[NH2+])n1-c1ccc(Cl)c(C)c1,0
+O=P(O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(P(=O)(O)O)C1O,1
+CC1CCCCC1Nc1cc(N)cc(S(N)(=O)=O)c1,0
+CN(C)c1ccc(-c2nnc3n2-c2ccccc2Nc2ccccc2-3)cc1,1
+COc1cc(C2CC(=O)C3=C(C2)Nc2ccccc2NC3c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC,0
+CCOC(=O)C1(Cc2ccccc2)[NH2+]C(c2ccc(O)c(OC)c2)C2C(=O)N(CC)C(=O)C21,0
+O=C1N(Cc2ccccc2F)CCCC1(O)C[NH2+]Cc1n[nH]c2c1CCC2,0
+CC(C)CC(NC(=O)C1Cc2ccccc2C[NH2+]1)C(=O)NC1CCCC1,0
+Nc1c(N(Cc2ccccc2)c2ccccn2)nc[nH+]c1Nc1ccc(F)cc1F,0
+c1ccc(OC2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1,1
+CC1CCc2[nH]c3c(C(=O)NNC(=O)C(=O)NC4CC4)cccc3c2C1,0
+COc1ccc(C2=NC(c3ccccc3C)[NH2+]C(c3ccccc3O)C2)cc1,0
+N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccccc3)cn2CCN2CCC2)CC1,1
+NC1(c2ccc(-c3nn4c(-c5ccc(F)cc5)cnc4cc3-c3ccccc3)cc2)CCC1,1
+Cc1c[nH]c2ncnc(N3CCC(N)(CNC(=O)C(F)(F)F)C3)c12,1
+Cc1ccc(C(=O)Nc2ccccc2C(=O)NC(C(=O)NNC(=O)c2ccccc2)C(C)C)cc1,0
+COc1ccc(S(=O)(=O)Nc2cccc(-c3ccc4nc(NC(C)=O)sc4c3)c2)cc1,1
+CC(C(=O)Nc1ccccc1Cl)[NH+](C)CC(=O)Nc1c(Cl)cccc1Cl,0
+NC(=O)c1ccccc1NC(=O)C[NH+]1CCCC1c1cccc2c1OCCO2,0
+C=CCN1C(=O)C2C(CCC(N)=O)[NH2+]C3(C(=O)Nc4ccccc43)C2C1=O,0
+Cc1cc(Br)ccc1NC(=O)C[NH+](C)C(C)C(=O)NC(C)(C)C,0
+CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2)c(C(N)=O)c1C,0
+COc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)cc1,0
+NS(=O)(=O)c1ccc([NH+]=c2oc3ccccc3cc2C(=O)Nc2ccccc2Cl)cc1,0
+Nc1c(C(=O)c2ccc(C(=O)c3sc4nc(C5CC5)ccc4c3N)cc2)sc2nc(C3CC3)ccc12,0
+CCOc1cccc2cc(C(=O)Nc3cccc(Cl)c3)c(=[NH+]c3ccc(S(N)(=O)=O)cc3)oc12,0
+CCC(=O)Nc1ccc(C)c(NC(=O)NCC(C)(C)[NH+]2CC(C)CC(C)C2)c1,0
+O=C(Cc1nc(N2CCOCC2)c(F)c(=O)[nH]1)N1c2ccccc2CC1CO,1
+CC(=O)Nc1ccc(-c2cncc(OCC(N)Cc3c[nH]c4ccccc34)c2)cc1,1
+CC(NC(=O)CN1C(=O)NC(Cc2ccccc2)(c2ccccc2)C1=O)c1cc2ccccc2o1,0
+Cc1cc(NC(=O)C[NH+](C)CC(=O)Nc2c(Cl)cccc2Cl)n(-c2ccccc2C)n1,0
+Cc1cc2c(cc1C)C(O)CC1(CC[NH+](CC(O)c3ccc(Br)cc3)CC1)O2,0
+CC(C)C(NC(=O)CSC1NN=C(C2=c3ccccc3=[NH+]C2)O1)c1ccc2c(c1)OCCCO2,0
+OC1(C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)CCCc2ccccc21,0
+CN(C)c1cc(CNC(=O)NC(c2ccc(F)cc2)c2cccs2)cc[nH+]1,0
+Cc1ccc(C[NH+](CCc2ccccc2)CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)s1,0
+CCOC(=O)c1ccccc1Nc1[nH+]cnc(N(CC)c2cccc3ccccc23)c1N,0
+O=C(Cc1nc(N2CCOCC2)cc(=O)n1C1CC1)N1CCc2c(Cl)cccc21,1
+CC1COCCN1c1nc(N2CCOCC2C)c2ccc(-c3cccc(N)c3)nc2n1,1