O=C(CSc1nnc(COc2ccccc2)o1)NC1CCCCC1	0
C[N@H+]1CC[C@@](N)(C(=O)NC[C@@H]2CC[C@@H](C[NH3+])CC2)C1	2
CC1(C)CC(N2CCC(=O)N(C3CC(C)(C)[NH2+]C(C)(C)C3)C2)CC(C)(C)[NH2+]1	2
COCC[N@H+](Cc1cnc(C)[nH]1)CC1CC[NH+](Cc2ccccc2F)CC1	2
COc1cc([N-]S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)nc(OC)n1	-1
CCNC(=O)CC[NH+]1CCC(C[NH+]2CCOCC2)CC1	2
NS(=O)(=O)c1cccc(NC(=O)C[NH2+]CCN2CCOCC2)c1	1
CN1CCC[NH+](CCNC(=O)c2ccccc2)CCN(CCNC(=O)c2ccccc2)CCC[N@@H+](C)CC1	2
C[NH+](C)CCn1c(=O)c2ccc3c(=O)n(CC[NH+](C)C)c(=O)c4ccc(c1=O)c2c34	2
CC[C@H](C)C(=O)N1CCC(C(=O)OC)CC1	0
CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1	2
CC[NH+](CC)CCN(C(=O)CNC(=O)C[NH3+])[C@@H]1CCS(=O)(=O)C1	2
O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1cc(=O)n(-c2ccccc2)[n-]1	-1
COc1cc(C(=O)N2CC[NH+](CCC(N)=O)CC2)ccc1OC1CC[NH+](C)CC1	2
C[N@H+]1CCC[C@H]1CNC(=O)c1coc(CN2CC[NH+](Cc3ccccc3)CC2)n1	2
COc1ccc(C[NH2+]C[C@@H](O)COc2ccc(C)cc2[N+](=O)[O-])cc1	1
CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCCC[NH+]1CCOCC1	1
[NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[NH2+]CC1	2
C[N@H+]1CC[C@H](C[NH3+])C1	2
CC[N@@H+](CC1CC[NH+](C(C)C)CC1)[C@H]1CS(=O)(=O)C[C@@H]1O	2
Nn1cc(C(F)(F)F)cc(Cl)c1=[N+]1CCNCC1	1
CNS(=O)(=O)NCC(=O)NC1CN(S(=O)(=O)c2ccc(OC)cc2)C1	0
C[NH+](C)CC(C)(C)CNS(=O)(=O)C[C@@H]1CCC[NH2+]1	2
C[NH+](C)CC(C)(C)CNS(=O)(=O)C1CC[NH2+]CC1	2
O=C1CS[C@@H](c2cccc([N+](=O)[O-])c2)N1CC[NH+]1CCCCC1	1
Cc1ccc(S(=O)(=O)N/N=C/c2ccccc2O)cc1	0
Cn1ccnc1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2	1
O=C(CCS(=O)(=O)Cc1ccccc1Cl)NC[C@@H]1CCCO1	0
C[N@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1	2
CNC(=O)C1C[NH2+]C1	1
Cc1ncc(C[N@@H+]2CC[C@@H](C3CC[NH+](CC(C)C)CC3)C2)n1C	2
CN(C)C(=O)CC[NH+]1CCN(C(=O)NCCNS(=O)(=O)N(C)C)CC1	1
C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN2C2CC[NH2+]CC2)C1	2
C=C[C@@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@H](O)c1cc[n+]([O-])c2ccc(OC)cc12	1
COc1ccccc1-n1c(C)nc2ccccc2c1=O	0
Cc1cc(C[NH2+]Cc2ccc(OC[C@@H](O)C[NH+]3CCCCC3)cc2)nn1C	2
COc1ccc(C[N@H+]2CCCC[C@@H]2CO)cc1Br	1
CC(CN1CCC[C@@H]1CS(N)(=O)=O)C[N@H+]1CCC[C@@H]1CS(N)(=O)=O	1
COc1ccc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1OC	0
CC[NH+](CC)C(C)(C)CNc1cc(C)c(-c2ccccc2)nn1	1
CCS(=O)(=O)NCCCNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1	0
CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1	2
CC[NH+](CC)CCNC(=O)C(=O)N1CCO[C@@H](CN(C)CC(N)=O)C1	1
Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/c2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)cc1	-1
Cc1ccccc1NC(=O)[C@@H]1CC(=O)NC(N2CCN(Cc3ccccc3)CC2)=N1	0
COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1	2
CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3cc(F)ccc3-n3cccn3)C[C@@H]2CCO)CC1	2
C[C@@H](Cc1ccc(O)cc1)[NH+]1CCC([NH+]2CCC(C(=O)NC3CC3)CC2)CC1	2
COc1ccc(Br)cc1C=O	0
COc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-]	0
[NH3+]CCCCCC[NH+]1CCN(c2cccc(Cl)c2)CC1	2
COCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1	1
O=C1C[C@@H](NC2CC[NH+](Cc3ccccc3)CC2)C(=O)N1c1ccccc1	1
C[C@@H]([NH2+]CCn1c(=O)c2c(ncn2C)n(C)c1=O)c1ccccc1	1
Cn1c(C[NH+](C)C)c(C#N)c2ccccc21	1
CC[NH+](CC)CC(=O)N1CCC(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccccc2)C3)CC1	2
CN1C(=O)CN(CC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1=O	1
C[NH+](C)[C@@H]1CCN(CCCN2CC3(CC[NH+](Cc4cccnc4N)CC3)OC2=O)C1	2
COc1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(CC[NH+](C)C)c2=O)cc1	1
CC(C)(C)c1nc(CN2CCCCC2)cc(C[NH+]2CCCCC2)c1O	1
C[NH+]1CCN(c2cc(N3CC[NH2+]CC3)ccc2[N+](=O)[O-])CC1	2
C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(CC(N)=O)C(=O)C1	2
CCOC[C@@H](O)C[NH+]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1	2
COCC(=O)Nc1ccc2nc(N3CCN(CC(=O)N(C)C)CC3)cc(C(=O)[O-])c2c1	-1
CC(=O)Nc1nc2ccc(NC(=O)c3ccc(N)cc3)cc2s1	0
CN(C(=O)Cc1cccc2sccc12)[C@@H]1CCCC[C@H]1[NH+]1CCCC1	1
C[C@@H]1CCc2c(sc3c2c(=O)n(CC(=O)[O-])c(=O)n3CCN(C)C)C1	-1
CC(C)NC(=[NH2+])NC(=[NH2+])NCCNc1cccc2cccnc12	2
CS(=O)(=O)c1ccc(C[C@@H](N)[C@H](O)C(=O)NC2(C(=O)[O-])CCCC2)cc1	-1
COC(=O)COc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1	0
O=C(c1ccccc1)N1CC[NH+](CC2CC[NH2+]CC2)CC1	2
S=C(Nc1ccccc1)N1CCOCC1	0
CC(=O)c1ccc2c(c1)C(=O)C1(CC1)O2	0
COc1ccc(C(=O)CNC2=[NH+]CCC2)cc1	1
CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)[N@@H+](C)C1	2
CCN(CC)C(=O)C1=C[C@@]2([N+](=O)[O-])CN(CC(=O)[O-])C[C@@]([N+](=O)[O-])(C1)C2	-1
C[C@@](O)(CNC(=O)NC1CC[NH+](C2CC2)CC1)C[NH+]1CCOCC1	2
CN(C)S(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1	1
O=C(NCc1cccnc1)C1CC[NH+](Cc2ccc(F)cc2)CC1	1
[NH3+]C[C@@H]1OC(=O)CCC(=O)O[C@@H](C[NH3+])c2ccc1cc2	2
O=C(C[NH+]1CCC(C(=O)N2CCCC2)CC1)NC1CC[NH+](C2CC2)CC1	2
CC[C@@H](C)[NH+]1CCN(S(=O)(=O)N(C)CCC[NH3+])CC1	2
CN(C)/C=[NH+]/c1ccn(Cc2ccccc2)c(=O)c1C#N	1
C[C@@H](O)[C@@H](O)c1ccc(C(N)=O)nc1	0
N#Cc1c2c(c(-n3ccnc3)n3c1nc1ccccc13)CCCC2	0
CC(C)CNS(=O)(=O)c1ccccc1	0
C[C@@H](CO)N(C[C@@H](C)O)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1	1
C[C@H](NC(=O)NCC(C)(C)NS(C)(=O)=O)[C@@H]1C[N@@H+](C)CCO1	1
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1	2
CCOc1cccc(/C=N\NC(=O)CN2CCOCC2)c1OCC(=O)[O-]	-1
C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H](C)N1CC[NH+](C)CC1	2
CNC(=O)C[C@@]1(O)CCC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C1	1
CO[C@H]1C[C@H](C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)N(S(C)(=O)=O)C1	1
CCCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	0
Nc1c(Cl)cc(C(=O)N[C@H]2C[NH+]3CCC2CC3)c2c1CCO2	1
COC(=O)[C@@H]1[C@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1[N@@H+]2C	1
Cc1cccc(C)c1/N=N/N1CCCC1	0
C[C@@H](COc1ccccc1)[NH2+][C@@H](CO)[C@H](O)c1ccccc1	1
CC[NH+]1CCN(C(=O)c2ccc(N3CCC([NH+]4CCC(OC)CC4)CC3)cc2)CC1	2
COc1ccc([C@@H]2CNC(=O)C2)cc1OC1CCCC1	0
C[NH+]1CCC[C@@]2(CCC[N@@H+](CCCn3cnnn3)C2)C1	2
C=CCNC(=O)N[C@H]1C[C@@H](C(=O)N[C@@H](CCS(C)(=O)=O)C(N)=O)N(C(=O)CSC)C1	0
O=C(N[C@H]1C[NH+]2CCC1CC2)c1c[n-]c2ccsc2c1=O	0
CN(CCCC[NH+]1CCOCC1)C(=O)C1([NH+](C)C)Cc2ccccc2C1	2
O=c1[nH]nc(-c2cccnc2)c2ccccc12	0
F[C@@H](OC(F)(F)F)c1nc2ccccc2[nH]1	0
COc1cc2c(cc1CNC(=O)[C@@]13C[NH2+]C[C@@H]1C[N@@H+](C)C3)OCCO2	2
CC(=O)NC1=CC(=O)[C@@H](N(C)C(=O)C[C@@H]([NH3+])CCCNC(N)=[NH2+])CN1	2
C[NH+](C)[C@@H]1CCC[C@@H]1OC(=O)C(O)(c1ccccc1)c1ccccc1	1
O=C1c2ccccc2C(=O)N1C[n+]1ccc(CCCc2cc[n+](CN3C(=O)c4ccccc4C3=O)cc2)cc1	2
O[C@@H](CCC[NH+]1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1	1
Cn1cc(C(=O)N2CCC[C@H]([NH+](C)C)C2)c2ccccc21	1
C[NH+]1CCC(O)(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)o2)CC1	1
COc1cccc(-c2nnc(SCC(N)=O)n2-c2ccccc2)c1	0
Cc1cc(-c2cnc(N3CC[NH+](C)CC3)nc2[C@@H]2CCCN(c3cc(C)[nH+]c(N)n3)C2)on1	2
CN(C)S(=O)(=O)NCCNS(=O)(=O)c1cnnn1-c1ccccc1	0
C[NH+]1CCC(C[NH3+])(N2CCN(c3ccccc3)CC2)CC1	2
Cn1cccc1-c1ccccc1NCC1=[NH+]CCN1	1
CCc1cc2cc(OC)c(OC)cc2c(Cc2ccccc2)n1	0
C[N@H+]1CC[C@@](N)(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C1	2
CC(C)[C@@H]([NH3+])C(=O)NCCNC(=O)[C@H]([NH3+])C(C)C	2
NC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1	2
C[C@@H]1CN(C)C[C@H](C(=O)NCC#CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)O1	1
CC(=O)N[C@H]1[C@H](Oc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c2)O[C@H](CO)[C@@H](O)[C@@H]1O	-1
COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2OC)cc(OC)c1OC	1
C[NH+](C)CCNc1ncnc2c1cnn2-c1ccc(Cl)cc1	1
COc1ccc([C@@H]2[NH2+]CC[C@@]23C(=O)N(C)c2ccccc23)cc1	1
COc1cc2c(cc1OC)[C@H]1CC(=O)[C@H](CC(C)C)C[N@H+]1CC2	1
Cc1ccc(NC(=O)[C@@H](C)Sc2nc(N)cc(N)[nH+]2)c(C)c1	1
CC[NH2+][C@H](C)CNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1	2
CN(C)C(=O)CSc1nnc([C@@H]([NH3+])Cc2ccccc2)o1	1
N#Cc1ccc(NC(=S)c2ccccn2)cc1	0
CCn1cnnc1CCNC(=O)[C@@H]1CC2(CC[NH2+]CC2)C[NH2+]1	2
CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@@H](C)[NH3+])CC1	1
CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1	2
COC(=O)c1ccccc1NC(=O)Cc1ccc(Br)cc1	0
C=CCN1C(=O)NC(=O)C(=C(CC)NCCN2CC[NH2+]CC2)C1=O	1
NC(=[NH2+])NCCC[NH+]1CCN(c2ccc(F)cc2)CC1	2
CN(c1ncccc1C#N)C1CC[NH+](Cc2ccccc2)CC1	1
CC[NH+](CC)C[C@@H](O)COc1cc(CN2CCN(c3cc[nH+]cc3)CC2)ccc1OC	2
CCOC1=CC(=O)c2ccccc2C1=O	0
NC(=O)CNC(=O)[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21	0
CC(C)[C@@](C)([NH3+])C(N)=O	1
C[N@@H+](CC1(CO)CCOCC1)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O	2
COc1ccc(NC(=O)CC[N@H+]2CCc3ccccc3C2)cc1	1
COc1ccc(C)cc1CC(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1	2
CCc1oc(C(=O)OC)cc1S(=O)(=O)NCC(=O)N1CC[NH2+]CC1	1
Cc1ccc2[nH+]c(-c3ccc(O)cc3)c(NC[C@@H]3CCCO3)n2c1	1
Cc1cc(C)cc(C[N@@H+]2CCc3nnc(CCNC(=O)[C@@H]4CCC[NH+](C)C4)n3CC2)c1	2
O[C@]12N=C(c3ccccc3)S[C@H]1Cc1cc(Cl)ccc12	0
NC(=S)N1CC[NH2+]CC1	1
CC1(C)CC(NC(=O)c2scc3c2OCCO3)CC(C)(C)[NH2+]1	1
CSc1ccc([C@@H](O)[C@@H]([NH3+])CO)cc1	1
CCOC(=O)CSc1sc(C(=O)OCC)c2c1[C@@H](O)CCC2	0
COc1cc2c(cc1O)N=C[C@H]1CC[C@H](O)N1C2=O	0
C[NH+]1CCN(C(=O)CCNC(=O)NCCn2cnc(C#N)n2)CC1	1
CC[C@@H]([NH3+])CNC(=O)CCS(=O)(=O)NCC(=O)NC(C)C	1
Cc1ccc(N2C[C@@H](C(=O)NC[C@@H](C)O)CC2=O)cc1	0
CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1ccccc1C	0
Cc1c(-c2ccccc2)[nH]c(=O)n1C1CC[NH+](CCc2ccccc2)CC1	1
C[NH+]1CCC([NH+]2CCC(CN(Cc3ccncc3)C(=O)c3cn4ccccc4n3)CC2)CC1	2
COc1ncncc1NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1	1
CN(C)C(=O)c1cccc(NC(=O)NCc2cccc(N3C(=[NH2+])NC(=[NH2+])NC3(C)C)c2)c1	2
COc1ccc([N+]2=C3CCCCN3C[C@@]2(O)c2ccc(F)cc2)cc1	1
NC(=O)C1CC[NH+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1	1
O=C(NCCn1nc(-c2ccccc2)ccc1=O)C12C[NH2+]CC1C[NH2+]C2	2
CC(C)C[N@H+]1CCN2C(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H]2C1	1
COc1ccc(C[N@H+]2CC[C@@H](c3nn(CC[NH3+])c4nccnc34)C2)cc1	2
C[NH+]1CCN(C(=O)CCNC(=O)NC2CC[NH+](C3CC3)CC2)CC1	2
CC(C)NS(=O)(=O)NCCNC(=O)NCC1CCN(S(C)(=O)=O)CC1	0
O=C1[C@H](O)N=C(c2ccccc2F)c2cc(Cl)ccc2N1CCO	0
O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1	2
CCNc1ccc[nH+]c1N1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1	1
Cc1cc(/C=C/c2ccccc2OC[C@H](O)C[NH2+]C(C)(C)C)on1	1
Cc1ccc(C)c(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[NH+]2CCCC2)c1	2
CN(CC(=O)N1CC[NH2+]CC1)C1C[C@@H]2CC[C@H](C1)[N@H+]2C	2
CCOC(=O)CN1CC[NH2+]CCN(CC(=O)OCC)CC[NH2+]CC1	2
COc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1S(=O)(=O)NCC[NH+](C)C	2
COc1ccc(Cl)cc1-c1nc(N)nc(NN2CCCCC2)[nH+]1	1
Cc1cc(C)n(-c2cc(C)c3ccccc3n2)n1	0
CCn1c[n+](C[C@@H](O)COC2CCCCC2)c2cc(C)c(C)cc21	1
CC[C@@H]1C[N@@H+](CCNS(C)(=O)=O)[C@H](CC)CN1CCNS(C)(=O)=O	1
O=C(C[NH+]1CCC(c2c[nH]c3ccccc23)CC1)Nc1ccccn1	1
COc1ccc(/C=N/c2ccc(C)c(C)c2)cc1	0
CCCNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](CO)C(=O)NC)cc1	0
O=C1CCCC2=C1[C@@H](c1ccc3c(c1)OCO3)c1c(nc(SCc3ccccc3)[n-]c1=O)N2	-1
CNC(=O)C[NH+]1CCC(NC(=O)NCCC[NH+]2CCCC2)CC1	2
COc1ccc([C@@]2(O)CN3C(=[N+]2Cc2ccccc2)CCc2ccccc23)cc1	1
CC(=O)c1cc(Nc2cc(C)n(C)c(=N)n2)cc(C(C)=O)c1	0
CCCNC(=O)C[NH+]1CCC(NC(=O)C[N@@H+](C)CCC)CC1	2
C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc(=O)n2ccsc2n1	2
CC1Cn2c(=O)c3ccccc3c(=O)n2C1	0
CC[NH+]1CCN(C(=O)CCCC(=O)N2CC[NH+](CC)CC2)CC1	2
COC(=O)CC[C@H]1C[N@@H+](Cc2cc(C)c(OC)cc2C)CC[C@H]1[NH+](C)C	2
COCCNc1nc(N[C@@H]2CC[S@@](=O)C2)nc(N[C@@H]2CC[S@](=O)C2)[nH+]1	1
COc1cc(SC)ccc1C(=O)NC1CCCC1	0
Cc1ccc(CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)nc1	1
C[NH+](C)CCCNc1cc[nH+]c2cc(I)ccc12	2
O=C(c1nc2ccccn2c1C[NH2+]CC1CC[NH+](CCO)CC1)N1CCCC1	2
CC[NH+](CC)CC(=O)NC1(Cc2ccc(O)cc2)CCCCC1	1
CC[NH+](CC)CC#CCC(CC#CC[NH+](CC)CC)C(=O)OC	2
COc1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c(OC)c1	1
N#C/C(=C\c1ccc(O)c(O)c1)C(=O)OCCc1cccs1	0
COCCN1C[C@@H](C(=O)NCCNS(=O)(=O)Cc2ccon2)CC1=O	0
CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1	2
CCOc1ccccc1C(=O)Nc1ccc(S(N)(=O)=O)cc1	0
CN1C(=O)[N-]C(=O)/C(=C\c2ccc(OCc3ccc(I)cc3)c(Br)c2)C1=O	-1
NC(=O)C1(N2CCN(C(=O)NCCN3C(=O)CCC3=O)CC2)CCCC1	0
CC(C)[C@@H](CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[NH+](C)CC1	2
C[C@@H](N)C(=[NH2+])NO	1
NC(=O)[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CCO1	2
O=C(C[NH2+]C[C@@]1(O)CCCN(CCc2ccccc2)C1=O)N1CC[NH2+]CC1	2
CCOC(=O)c1c(NC(=O)CN(C)C2CC[NH+](C)CC2)sc2c1CC(C)(C)[NH2+]C2(C)C	2
CCC[NH+]1CCC(N2C[C@@H]([NH2+]Cc3c(F)cccc3F)C[C@H]2C(=O)NCCOC)CC1	2
COCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1	1
CC[C@@H](NC(=O)C(=O)NCC[N@@H+](C)CCOC)C(=O)N1CCOCC1	1
COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC	1
O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@@H]1OCCN1C(=O)c1ccc2c(c1)OCO2	1
CC[N@@H+](CCNC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1)C1CC1	2
C/C(=N\O)c1ccc(C)c(C)c1O	0
Cc1cccc(C(=O)N2CCc3ccccc3C2)c1	0
COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1	2
C[NH2+]CCN(C)C(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1	1
COc1ccc(C(=O)Sc2ccccc2)cc1	0
CC1CCN(c2ncnc3ccccc23)CC1	0
COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])n[nH]1	1
CC[NH+]1CCC(NC(=O)C[NH+]2CCC(Cc3ccccc3)CC2)CC1	2
CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1	2
C=CCNc1nc(NCC[NH3+])c(C#N)c2c1C[N@@H+](Cc1ccccc1)CC2	2
NS(=O)(=O)c1ccc(CNC(=S)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cc1	-1
CN(C)C(=O)N1CC[NH+]([C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)CC1	2
CC1CCN(C(=O)C2CC[NH+](Cc3ccccc3O)CC2)CC1	1
C[NH+](C)CC[C@@]1(C)OCCC2=C1Cc1ccccc12	1
CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1	2
[NH3+]CCCC[C@@H](NC(=O)c1cccc(O)c1O)C(=O)N[C@H](CO)C(=O)[O-]	0
CC[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1	2
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3[C@@H](C=C(Cl)Cl)C3(C)C)cc2)n1	-1
C[NH+](C)CCn1cc2[nH]c([C@@H]3CCC[N@H+]3CC(N)=O)ccc-2c1=O	2
C=C1C[C@H](C)O[C@@H](c2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)C1	1
c1ccc2c(c1)OC[C@H](C[NH+]1CCCCC1)O2	1
Cc1sc(NC(=O)c2ccccc2)c(C(=O)NCC[NH+](C)C)c1C	1
COc1ccc(N2CC[NH2+]CC2)cc1	1
C=CCC(N)=[NH+]N	1
O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1COc2ccccc2O1	1
CC[NH+]1CCN(c2ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc2)CC1	1
CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CCO[C@@H](CO)C2)CC1	1
Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/n2cnnc2)cc1	0
C[C@@H]1C[C@@H](NC(=O)CN2CCCC[C@@H]([NH3+])C2=O)CC[NH2+]1	2
Cc1c(C)c2ccc(OCc3nnc(C(C)C)s3)cc2oc1=O	0
Cc1cc2nc(CNC(=O)[C@H]3CCC[N@H+](C4CC[NH+](C)CC4)C3)[nH]c2cc1C	2
NC(=O)NC(=O)CCC[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1	1
NC(=O)[C@@]1(O)CCC[NH+](CC2(C[N@@H+]3CCC[C@](O)(C(N)=O)C3)CCC2)C1	2
[NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCc2cccnc2)C1	2
Nc1nc(CSc2nc3ccccc3[nH]2)nc(N2CCOCC2)n1	0
CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1	1
CN(C)c1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1	1
COc1cccc(C[NH+]2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1	1
COCC[N@H+]1CCCN(C(=O)CN2CC[NH2+]CC2)CC1	2
O=C([C@@H]1CSC[NH2+]1)N1CCC([NH+]2CCCCC2)CC1	2
CN(CCC[NH+](C)C)CCNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1	2
C[C@@]1(CC2=[NH+]CCN2)OC[C@@H](C[NH+]2CCCCC2)O1	2
C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(C[NH+]2CCOCC2)CC1	2
[NH3+]CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1	2
C[NH+](C)Cc1cc(CCNC(=O)c2ccc(Cl)cc2)ccc1O	1
COCCc1nc(CNC(=O)[C@@H]2CC3(CC[NH2+]CC3)C[NH2+]2)no1	2
COc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1C[NH2+]CCO1	2
CC(C)C[C@@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)N1CCOCC1	1
C[NH+]1CCN(c2ccc(C(F)(F)F)cc2N)CC1	1
CC(C)[C@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)CN2CCOCC2)CC[NH2+]1	1
COc1cccc(Nc2sc(C(=O)c3ccccc3)c(N)c2C#N)c1	0
CCC[N@H+](c1ccncc1F)n1cc(C)c2cc(OC(=O)NC)ccc21	1
CC(C)OCCS(=O)(=O)NCC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1	1
COc1cc2c(c(O)c1CSC[C@H](NC(C)=O)C(=O)[O-])C(=O)C(C)=CC2=O	-1
C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(S(C)(=O)=O)CC2)C1	2
CCCC[NH+]1CCOCCOCC[NH+](CCCC)CCOCCOCC1	2
C[NH+](C)CCN(CC[NH+](C)C)C(=O)CN1CC(=O)NC1=O	2
CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)CCn1cc[nH+]c1C	2
COC(=O)c1csc2c(C(F)(F)F)cc(N3CC[NH2+]CC3)nc12	1
Cc1cc(C)n(CCCNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)n1	2
N#CC(CCN1CCC(C(N)=O)([NH+]2CCCCC2)CC1)(c1ccccc1)c1ccccc1	1
CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)N[C@@H](C)C(=O)[O-]	-1
C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C[NH3+])cc2)CCO1	2
COc1ccc(CCn2c3c(c(=S)[nH]c2=O)CCC3)cc1OC	0
C[N+]1(CCNC(=O)C(=O)NCC[N+]2(C)CCCCCC2)CCCCCC1	2
CC[N@H+]1CCC[C@@H](O)C1	1
CCOC(=O)[C@]12CCC[NH2+][C@@H]1CCN(C(=O)c1cn(CC[NH3+])nn1)C2	2
COC(=O)[C@@H](CC(C)C)NC(=O)c1cc(OC)c(OC)c(OC)c1	0
CCN(CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1)S(C)(=O)=O	1
CCc1nc(CC)nc(NS(=O)(=O)c2ccc(N)cc2)n1	0
CCC(CC)NC1=NS(=O)(=O)c2ccccc21	0
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1	1
CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-]	0
C[NH+](C)CCN1C[C@H](C(=O)N2CCC([NH+]3CCSCC3)CC2)CCC1=O	2
Cc1nc(N)[nH]c(=O)c1CCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1	-1
CN(C(=O)C[C@@H]([NH3+])C1CCN(C(N)=[NH2+])CC1)[C@@H]1CNC(=NC(N)=O)NC1=O	2
CC(=O)Nc1nc(SCc2ccc([N+](=O)[O-])cc2)n(C(C)=O)n1	0
CC(C)[NH+]1CCC(N2CC[N@@H+](CCCn3cccn3)C[C@@H]2CCO)CC1	2
C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1	1
CC(C)=NN1C(=O)c2ccccc2C1=O	0
CNc1nc(N[C@@H]2CCOC[C@@H]2O)[nH+]c(N[C@@H]2CCOC[C@@H]2O)n1	1
NC(=[NH2+])NCCSS(=O)(=O)CCNC(N)=[NH2+]	2
Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1	2
CN(C(=O)C[N@@H+]1CCc2nnc(C3CC[NH2+]CC3)n2CC1)C1CCCCC1	2
COc1ccc(NC(=O)CC[NH+]2CCC(C)CC2)c(OC)c1	1
C[C@@H](O)C[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1	2
COCCN(CCC[NH+](C)C)C(=O)C1CC[NH2+]CC1	2
COC(=O)c1ccc(OC(=O)CSc2ccccc2[N+](=O)[O-])cc1	0
CNS(=O)(=O)[C@@H]1CCC[N@@H+](CCCN2C(=O)CNC2=O)C1	1
CO[C@H]1C[C@H](C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)N(S(C)(=O)=O)C1	1
CCOC(=O)c1ccc(N2CCOCC2)c([N-]S(=O)(=O)c2cc(Br)c(Cl)s2)c1	-1
Nc1ccc2nc3c4c(nccc4c2c1)-c1ncccc1C3=O	0
CN(C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)C1CC[NH+](C)CC1	2
CCn1c(NCC[NH+](C)C)nc2c1c(=O)n(C)c(=O)n2C	1
O=c1ccc(=O)n(-c2ccccc2)n1CCC[NH+]1CCC2(CC1)OCCO2	1
COC1=CC(=O)O[C@H](/C=C/c2ccccc2)C1	0
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cnn(C[C@@H](O)CO)c1	1
Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NCc2nnn(C)n2)cc[nH+]1	1
Cc1c(C(=O)NCC[NH+](C)C)sc2nc(-c3ccccc3)cn12	1
CC(=O)Nc1scc(-c2ccccc2)c1C(=O)N1CCOCC1	0
C[C@@H]1C[NH+]=C(c2ccc(NC(=O)Nc3ccc(C4=[NH+]C[C@@H](C)N4)cc3)cc2)N1	2
COc1ccc2c(c1)C(CC[NH+](C)C)(CC[NH+](C)C)C(=O)CC2	2
OCC[NH+](CCO)Cc1ccccc1Sc1cccc2ccccc12	1
COc1cc2c(cc1OC)CC[NH+](CCc1ccc(N)cc1)CC2	1
c1ccc2c(c1)N1CCC[NH+]=C1N2CC[NH2+]C1CCCCC1	2
C[NH2+]CCCN(C)C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1	2
CCCCCC[C@@H]1NC(=[NH2+])NC(=[NH2+])N1c1ccc(Cl)cc1	2
COc1ccccc1NC(=S)NC1CC(C)(C)[NH2+]C(C)(C)C1	1
CC(=O)NCC(=O)N1CCC[C@@H]1c1cc(N2CC[NH+](C)CC2)cc(C)[nH+]1	2
N=C(CC[S@](=O)Cc1csc(NC(N)=[NH2+])n1)NS(N)(=O)=O	1
C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCCC[NH2+]C3CC3)CC2)C1	2
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1	2
Cc1ccc(OC(=O)c2ccco2)cc1C	0
CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cnn(C[C@@H](O)CO)c2)CC1	1
CC(C)[C@@H](c1nnnn1Cc1cccs1)[NH+]1CCC(C(N)=O)CC1	1
CCOC[C@@H](O)C[NH+]1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1	1
C[N@H+]1[C@H](c2ccccc2)CC(=O)[C@]2(O)CCCC[C@H]12	1
CC[C@@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N	0
CC[NH+]1CCN(CC(=O)N(CC[NH+](C)C)Cc2ccc(C)s2)CC1	2
C[NH+](C)CC(C)(C)CNCc1ccccc1OC[C@@H](O)C[NH+]1CCSCC1	2
C[NH+](C)CCOC(=O)N[C@@H](OCC[NH+](C)C)C(Cl)(Cl)Cl	2
CC(C)NS(=O)(=O)CCNC(=O)NC1CCN(S(C)(=O)=O)CC1	0
C[NH+](C)CCN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1=O	2
CC[NH+]1CCN(CC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1	2
C[NH2+]CCOCCN(C)C(=O)C(=O)N1C[C@@H]2[C@H](C1)[C@@H](OC)CS2(=O)=O	1
C[NH+]1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1	1
CC(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1	0
O=C(NC1CCCCCC1)c1ccco1	0
CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H](O)C[NH+](C)C)c2ccccc2O1	1
O=[N+]([O-])c1ccc(-c2cn3c4ccccc4n(CC[NH+]4CCCCC4)c3n2)cc1	1
NC(=[NH2+])NC[C@@H]1NC(=O)N(CC(=O)NC[C@@H](NC(=O)OCc2ccccc2)C(=O)[O-])C1=O	0
CC(C)C[C@@H](NC(=O)C1=C[C@@H](NC(=O)[C@H]2CCC[NH2+]2)[C@@H](O)[C@H](O)C1)C(N)=O	1
CN(C)c1nc(F)c(F)c(S(=O)(=O)c2ccccc2)c1F	0
COc1ccc2c(c1)CN(C(=O)CC[NH+]1CCC(Cc3ccccc3)CC1)CCS2	1
CC[NH+]1CCC(NC(=O)CN2CCC[C@@H](S(=O)(=O)NC)C2)CC1	1
NC(=O)C(CC[NH+]1CCCCC1)(c1ccccc1)c1ccccc1	1
CN(CCN1CC[NH2+]CC1)S(=O)(=O)c1ccc(C(N)=O)cc1	1
COC[C@@]1(CNC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2C)CCC[NH2+]1	1
CCN(CC)S(=O)(=O)CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1	1
COc1ccc2nc3c(nc2c1)-c1cccc2cccc-3c12	0
COC(=O)C1CCN(S(=O)(=O)NC[C@@H]2C[NH2+]CCN2C)CC1	1
CC(C)CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc3c(c1)OCO3)C1=C(CC(C)(C)CC1=O)N2	-1
Cc1nnc(SCCNC(=O)C23C[NH2+]CC2C[NH2+]C3)s1	2
O=C1CCCN1CCC[NH+]1CCN(c2ccc(F)cc2)CC1	1
NS(=O)(=O)c1ccc(CNC(=O)NC2(c3ccccc3)CC2)cc1	0
CN1C2(CCC2)COC[C@@]1(CO)CNS(=O)(=O)CCCS(C)(=O)=O	0
CC(=O)Nc1n[n+]2c(C)cc(C)nc2c2ccccc12	1
CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(O)c2c1C1CCC2CC1	1
Nc1nccnc1C(=O)Nc1c[nH+]ccc1N1CCN(C(=O)C[NH3+])CC1	2
CCOC(=O)c1ccc2c(c1)n(CC)c(C)[n+]2-c1ccccc1	1
COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2)C1	1
COc1cc(C[NH2+]CCC[NH+](C)C)ccc1OCC(N)=O	2
COc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)c2cc(N)cc(CO)c2)cc1	1
CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCC(N)=O)cc12	0
OC1CC[NH+]([C@@H]2CC[N@@H+](CC3CCCC3)C[C@H]2O)CC1	2
CCCN1C(=O)C(=Cc2ccccc2OCC(=O)OCC)NC1=S	0
CCOC(=O)C1CCN(C(=O)Cn2cc(S(=O)(=O)NC)c(S(=O)(=O)NC)c2)CC1	0
C[NH+]1CCN(C[C@@H](O)C[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)CC1	2
CN(c1ncnc2ccc(Br)cc12)C1CC[NH+](C)CC1	1
CCOC(=O)C1CCN(C(=O)Cc2cccs2)CC1	0
CNS(=O)(=O)N1CCN(S(=O)(=O)CCCN2CC[NH+](C)CC2)CC1	1
COc1ccccc1CC[NH2+][C@H]1CC(=O)N(c2ccc(C)cc2)C1=O	1
C[N@@H+](CCCO)C1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1	1
CC(C)(C)[NH2+]C[C@@H](O)COc1cc(Cl)ccc1C1=CC(=O)CC1	1
CSCC[C@@H](NC(N)=O)C(=O)N[N-]C(=O)c1ccc(Br)s1	-1
CCCNC(=O)C[NH+]1CCC(NC(=O)c2[nH]nc3c2C[NH2+]CC3)CC1	2
CCOC(=O)N1CCC([NH2+]CCc2cccc(F)c2)CC1	1
COc1ccc(OC)c(Nc2cc(-c3ccccc3)nc(N)n2)c1	0
C[NH2+]CCOCCNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1	1
CC(C)(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cnc4ccccc4n3)cc2)cc1	-1
Nc1ccc(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)cc1	1
C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(Br)cc1	2
CC[NH+](CC)Cc1cc(NC2=NS(=O)(=O)c3ccccc32)ccc1OC(=O)c1ccccc1	1
COc1ccc(Br)c(OC)c1	0
O=C(NCCC[NH+]1CCOCC1)C(=O)NCCN1CCOCC1	1
[NH3+]CCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1	1
CC[NH+]1CCN(C(=O)c2ccc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)cc2)CC1	1
Cc1cccc(N2C(=N)NC(=[NH2+])NC23CCCCC3)c1	1
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(CSC(=S)N(C)CC(N)=O)S[C@@H]12	-1
CC[NH+]1CCN([C@@H](C[NH3+])c2ccc(OC)c(OC)c2)CC1	2
CCOC(=O)c1c(NC(=O)C[NH2+]C(C)C)sc2c1CCCC2	1
O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1C[NH2+]CCC1(F)F	2
[NH3+]CC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1	2
OCC[N+]1(CCOCC[N+]2(CCO)CCOCC2)CCOCC1	2
CCC[N@H+]1CC2(CC[NH+](C)CC2)C[C@@H]1C(=O)NCc1nc(C(N)=O)no1	2
C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	2
O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(Cl)c(CN2C(=O)c3ccccc3C2=O)c1	-1
C[NH+]1CCC([NH+]2CCC(C(=O)NCCc3ccccc3)CC2)CC1	2
CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)C[NH+](C)C	2
C[C@@H](CNC(=O)N[C@H]1CC[NH2+]C1)C[NH+]1CCOCC1	2
CCN=NC(N)=[NH2+]	1
CN(C)S(=O)(=O)NCC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1	0
O=c1[nH]c2ccccc2n1C1=CC[NH2+]CC1	1
C[NH2+]CCOCCNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1	2
Cc1ccc2nc(C3C(=[NH2+])N(CC[NH+](C)C)C=C3O)[nH]c2c1	2
C[NH2+]C[C@@H](C)O	1
CCc1nnc([N-]S(=O)(=O)c2ccc(/N=C/c3cc(Br)ccc3O)cc2)s1	-1
C[C@@H](C(=O)NC1CCCCC1)N1C(=O)c2ccccc2C1=O	0
CCC(C)(C)NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1	0
CC(=O)NC1(NC(C)=O)CC[N@H+](C)[C@@H](c2ccccc2)[C@H]1C	1
CCN(C(=O)C[C@@H]([NH3+])CCCNC(N)=[NH2+])[C@@H]1CNC(=NC(N)=O)NC1=O	2
CN(CCCNC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)S(C)(=O)=O	2
CC(NNc1[nH+]ncc2ccccc12)=C1C(=O)CC(C)(C)CC1=O	1
COC[C@]1(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)CCC[NH2+]1	2
CNC(=O)NC1(C[NH3+])CC1	1
Cc1nn(CC[NH+]2CCCC2)c(=O)c2nn(-c3ccccc3F)c(C)c12	1
CCCOCC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1	2
CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)cc1	1
COc1cc(S(=O)(=O)[N-]c2cc3c(cc2C(C)=O)OCO3)ccc1-n1cnnn1	-1
CSCCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1	2
O=C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)N1CCc2ccccc2C1	2
NC(=O)CC[NH+]1CCCN2CCN(CCC[N@H+](CCC(N)=O)CC2)CC1	2
C[C@@H](NC(=O)C1CCOCC1)c1nnc2n1CC[N@H+](Cc1ccc(C[NH+]3CCCCC3)s1)CC2	2
CCOc1ccc(N2C(=O)C[C@H]([NH2+]CCc3ccccn3)C2=O)cc1	1
C[NH+](C)C1(CNC(=O)C(=O)NCC(=O)N2CCNCC2)CCCCCC1	1
C/C(=C\c1ccccc1)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1	2
CC1(C)NC(=[NH2+])NC(=[NH2+])N1CCCOc1ccc(N)cc1	2
C[NH+](C)CCNC(=O)c1cccc2c(Nc3ccc(S(=O)(=O)NC(=N)N)cc3)c3ccccc3[nH+]c12	2
CCOc1cc2c(cc1Cc1ccc(OC)cc1)OCO2	0
CCOC(=O)c1c(C)sc2c(C)c(C)[nH]c12	0
O=C([C@@H]1CC[NH2+]C1)N1CCC(C[NH+]2CCOCC2)CC1	2
O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1cccs1	1
O=C(NCCC[NH+]1CCOCC1)C1CC[NH+](C2CCN(C(=O)c3ccccc3Br)CC2)CC1	2
CC(C)[C@H]([NH3+])C(=O)N1CCN(Cc2cccc(F)c2)CC1	1
CC[C@@](COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)[NH+](C)C	1
CCc1nc(C)nc(N2CCN(C(=O)c3ccccc3Cl)CC2)c1Cc1ccc(C)cc1	0
CC[NH+]1CCO[C@@H](C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1	2
CS(=O)(=O)N1CC(CNC(=O)NCCNS(=O)(=O)c2cccnc2)C1	0
CS(=O)(=O)N[C@@H](CNC(=O)c1cc2n(n1)CCN(CCC1CC[NH2+]CC1)C2=O)C(=O)[O-]	0
C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)NC1CCOCC1	2
[NH3+][C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@@H]([NH3+])Cc1ccccc1	2
CCOC(=O)C1=C(O)C(=O)N(c2ccccc2)C1	0
CCS(=O)(=O)N1CCC[C@@H](C(=O)NCC[NH+]2CCCC2)C1	1
C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O	2
O=c1oc2ccccc2c(N2CCCC2)c1C[NH+]1CCCC1	1
CN1C(=O)C[C@@H](C(=O)NCCNS(=O)(=O)N(C)C)[C@@H]1c1ccnn1C	0
C[NH+](C)CCNC(=O)N1CCN(c2ccccc2Cl)CC1	1
CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCC(C)(C)NS(C)(=O)=O)o1	-1
C[NH+](C)C[C@@H](NC(=O)CN1CC[NH2+]CC1)c1ccccc1	2
C[NH+](C)CCNC(=O)c1cccc2ccc(-c3ccncc3)nc12	1
CCOC(=O)c1c(NC(=O)c2ccoc2C)sc2c1CCCC2	0
CC1(C)CC(NCc2cccc([N+](=O)[O-])c2)CC(C)(C)[NH2+]1	1
C[NH+](C)CCCN1C(=O)[C@H]2CC3=C(CCCC3(C)C)C[C@H]2C1=O	1
COc1cccc2c1Oc1cc([N+](=O)[O-])cc(C#N)c1C=C2	0
COC(=O)C1=CN(C2CC2)C=C(C(=O)OC)C1c1ccc(C)s1	0
C[C@@H](NC(=O)NCCC(=O)N1CC[NH+](C)CC1)c1ncnn1C	1
COc1ccc(O)c(C(=O)Nc2ccc(Cl)cc2)c1	0
CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@H]1C[NH2+]C[C@@H]1O	2
C[C@@H](O)CC[NH3+]	1
Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(S(=O)(=O)[N-]c5ccccc5C)cc4)c3n2)cc1	-1
CC(C)C[C@@H](C[NH3+])NC(=O)NCC(=O)N1CC[NH2+]CC1	2
Cn1cc(C[N@H+]2CCO[C@@H](CC[NH+](C)C)C2)c(-c2ccccc2)n1	2
COc1cc(C[NH2+]C2CCC(O)CC2)cc(OC)c1O	1
CC[NH+]1CCN(C(=O)CC2CC[NH+](CCN3C(=O)CNC3=O)CC2)CC1	2
CCS(=O)(=O)NCCS(=O)(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1	1
CCN(CC)c1ccc(C(=O)Nc2cccc(Br)c2)cc1	0
Cc1c(C)n(CC[NH+](C)C)c2ncn(CC[NH+](C)C)c(=N)c12	2
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C[NH3+])C(N)=O	1
CC[NH+]1CCN(C(=O)CNC(=O)Cn2nnc3ccccc3c2=O)CC1	1
Nc1nc2c(c(N3CC[NH+](CCn4ccnc4)CC3)n1)CC[NH2+]CC2	2
C[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1	2
[NH3+]CC1(CCNC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1	2
Cn1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3)cc2)c(=O)n(C)c1=O	-1
CN(C[C@@H]1CCC[N@H+]1C)c1nc2c(c(=O)[nH]1)CC[NH2+]CC2	2
CC(C)(C)[NH2+]C[C@@H](O)COc1nsnc1N1CCOCC1	1
O=CN1CCN(C[C@@H](O)COc2ccc(OC[C@H](O)CN3CCN(C=O)CC3)cc2)CC1	0
Cc1[nH]c2ccccc2c1CCNC(=O)Cn1cnc([N+](=O)[O-])n1	0
O=C(NCC[N@@H+]1CC[C@@H](O)C1)Nc1cnc(N2CC[NH2+]CC2)nc1	2
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1Br	-1
[NH3+]CCCC[C@@H]1NC(=O)[C@@H]2C[C@H]([NH2+]Cc3ccccc3)CN2C1=O	2
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCc2ncnn2C1	2
CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1C[NH2+]CCCO1	2
CS(=O)(=O)N(CCc1ccccc1)CC(=O)NCc1ccccc1	0
CCC(=O)N1CCN(c2cc[nH+]c3cc(Cl)ccc23)CC1	1
O=C1C[C@H]([NH2+]C2CCCC2)C(=O)N1c1cccc(C(F)(F)F)c1	1
CCOc1ccc(N(CC(N)=O)S(=O)(=O)c2ccc(C)cc2)cc1	0
C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)CC1	2
O=C1C[C@H]([NH2+]CC2CCCCC2)C(=O)N1c1ccc(N2C(=O)C[C@@H]([NH2+]CC3CCCCC3)C2=O)cc1	2
O=C1CN(CC(=O)N2CCC[C@@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)N=[O+]1	2
Cc1nc(SCc2ccc(C(F)(F)F)cc2)[n-]c(=O)c1Oc1cccc(C(F)(F)F)c1	-1
O=C(NCCCN1CCCS1(=O)=O)[C@]12C[NH2+]C[C@H]1COC2	1
CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1	2
O=C(CCN1CC[C@@H]([NH+]2CCCC2)C1)N1CC[NH2+]CC1	2
CN(C)/C(N)=[NH+]/O	1
C[NH2+][C@H](C(=O)N[C@H]1C[C@@](O)(C(=O)N[C@H](CC(C)C)C(N)=O)C[C@@H](O)[C@@H]1O)C(C)C	1
CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CC[NH+](C)CC2)c(F)c1	2
CCOC(=O)C[C@@H]1CC2=[N+](CCc3cc(OC)c(OC)cc32)C[C@@H]1CC	1
CCOC(=O)c1c(N)sc(C(=O)Nc2cc(C)ccc2C)c1C	0
C[NH2+]Cc1cn(C[C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)nn1	2
Cc1cc(C)cc(NC(=S)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1	1
O=C(NO)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1	-1
CN(C)S(=O)(=O)NCCNC(=O)NCc1cc(S(N)(=O)=O)ccc1F	0
CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C=C(C)C	2
CC(C)(C)[NH2+]CC(=O)Nc1c2c(nc3ccccc13)N(Cc1ccccc1)CC2	1
COc1cccc(NC(=O)CN(C)C(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)c1	-1
CC(C)[C@@H](NC(=O)[C@@H](C)[NH3+])C(=O)N[C@@H]1[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]1O	1
C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@@](O)(CC(N)=O)C1	2
CC(C)(C[NH+]1CCCCC1)NS(=O)(=O)c1ccc(Cl)cc1	1
CNC(=O)c1ccc(C[N@@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)cc1	2
S=C(NCCc1ccccc1)Nc1nccs1	0
CN1C(=S)SC(C)(C)[C@@H]1[N+](=O)Cc1c(F)cccc1Cl	1
C#CC(=O)N(C)[C@@H]1C[NH2+]C[C@H]1O	1
COc1ccc(C(=O)NCCc2nc3ccccc3[nH]2)cc1OC	0
CSc1ccc(S(=O)(=O)NCCc2ccc(Cl)cc2)cc1	0
NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CC3(CC[NH2+]CC3)C[NH2+]2)cc1	2
O=[N+]([O-])c1ccc(Oc2ccc(C3=[NH+]CCN3)cc2)c(Cl)c1	1
O=C(NCc1ccccc1N1CCC(CO)CC1)C12C[NH2+]CC1C[NH2+]C2	2
Cc1cn([C@@H]2C[C@H](O)[C@@H](C[N+](C)(C)CCCO)O2)c(=O)[nH]c1=O	1
[NH3+]C[C@@H](c1ccc(F)cc1)N1CC[NH+](CCO)CC1	2
COc1ccc(C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]3C2=O)C42CC2)cc1	0
CCOC(=O)c1c(NC(=O)C[NH+]2CCCCCC2)sc(C)c1C	1
O=C([O-])c1cccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCN(c5ccccc5)CC4)C3=O)o2)c1	-1
[NH3+]Cc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1	2
COc1cc(OC)c(C[NH+]2CCCC2)cc1Br	1
[NH3+][C@@H](CC[C@H]([NH3+])C(=O)c1ccccc1)C(=O)c1ccccc1	2
COc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1OC	0
C[NH+](C)CCOC(=O)c1cccc([N+](=O)[O-])c1	1
Cc1ccc2c(c1)NC(=O)[C@@H](CC(=O)NCCCN1CCC([NH+]3CCCCC3)CC1)O2	1
COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)CCN2CCCS2(=O)=O)C1	1
O=C(NC(=S)Nc1ccc(C[NH+]2CCCC2)cc1)c1ccco1	1
O=C1c2ccccc2C(=O)c2c(NCCNC(=O)[C@@H]3CCC[NH2+]3)ccc(NCCNC(=O)[C@@H]3CCC[NH2+]3)c21	2
COCCN1CCC[C@@](O)(C[NH+]2CCN(C(=O)c3nc[nH]n3)CC2)C1=O	1
C[N@@H+](CCCNC(=O)[C@@H]1CCC[NH2+]1)Cc1ccccc1	2
COc1ccc2[nH]c(=O)n(C(=O)OC3C[C@@H]4CC[C@H](C3)[N@H+]4C)c2c1	1
CCOC(=O)c1cn(-c2ccc(Cl)cn2)cn1	0
CC[NH+]1CCN(CCC[NH2+][C@@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)CC1	2
C=C(C)CN(CC)C(=O)C1CC[NH+](Cc2ccccn2)CC1	1
CCOc1ccccc1NC(=O)C[C@@H]1[NH2+][C@H]2CCCC[C@H]2NC1=O	1
COc1ccc(N2N=C(C)/C(=C/c3c([O-])n(-c4ccccc4)c(=S)n(-c4ccccc4)c3=O)C2=O)cc1	-1
COc1ccc(OCC[NH+]2CCCC2)cc1	1
COc1cc(/C=C/C(=O)[O-])cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	-1
CS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1	0
CN(C(=O)CC[C@H]1CN(Cc2ccccc2Cl)CC[C@H]1[NH+]1CCOCC1)C1CC[NH+](C)CC1	2
Cc1ccc(C(=O)NC(C)C)cc1	0
CNc1cc(C[N@@H+](C)CC2=CCCOC2)nc([C@@H]2CCC[NH2+]2)n1	2
Cc1c(-c2ccccc2)n(C)c(=O)n1C1CC[NH+](Cc2ccccc2)CC1	1
C[C@@H]1CCCC[N@H+]1CCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1cccs1	2
CN1C(=O)C[C@H](N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1=O	1
CN(C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@H]1C[NH2+]C[C@@H]1O	2
Oc1c([C@@H](c2ccc(Cl)cc2)[NH+]2CCCC2)ccc2cccnc12	1
CN1CCCN(C(=O)Cc2c[nH]c(=O)[nH]c2=O)CC12CC[NH+](C)CC2	1
Cn1cc(S(=O)(=O)[N-]CCOc2ccc3ccccc3c2)c(=O)n(C)c1=O	-1
C[C@@H](C(=O)NCC1(c2ccccc2)CCCC1)[NH+]1CCCC1	1
C[NH+](C)CCCn1c(=N)n(C[C@@H](O)C(C)(C)C)c2ccccc21	1
CC[NH+](CC)CCOc1ccccc1-n1c(C)ccc1-c1ccccc1	1
O[C@@H](Cn1ccc(C(F)(F)F)n1)C[NH+]1CCCC1	1
CC(C)OCCS(=O)(=O)NCC(=O)N1CCN(C(=O)C[NH+](C)C)CC1	1
CN(CCN1CCOCC1)C(=O)C(=O)NC[C@@]1([NH+](C)C)CCSC1	1
Cc1cccc(C)c1OCC(=O)Nc1oc(-c2ccccc2)cc1C#N	0
Cc1c(C(=O)CC[N@@H+]2CC=C(c3ccc(F)cc3)CC2)cnn1CCO	1
O=C(CCO[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O)N(c1ccccc1)C1CC[NH2+]CC1	1
CN(C[C@@H](O)C1CC1)C(=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1	1
O=S(=O)(N1CCOCC1)N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1	2
CC[NH+]1CCN(CCNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1	2
CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2CCN=C3C2=NNN3C)CC1	1
C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2(NS(C)(=O)=O)CCCCC2)CC1	2
CC(C)(C)N(O)C=C1C=C[N+](=O)C=C1	1
CC(=O)NCCc1cccc2ccc3c(c12)CCCO3	0
O=C1CN(CC(=O)N2CC[C@@]3(CCC[N@H+](Cc4ccc(F)cc4)C3)C2)N=[O+]1	2
CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)C(=O)NC3C[NH2+]C3)CC2)C1	2
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@](C)([NH3+])c1ccccc1	2
CCCOc1c(Br)cc(C[NH2+]CCN2CC[NH2+]CC2)cc1OC	2
CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCC(C)CC3)cc2c1	0
O=C(CSc1nnnn1-c1cccc(Cl)c1)c1ccc(F)cc1	0
C[C@@H]([NH2+]Cc1cccn1CC[NH+]1CCOCC1)c1ccccc1	2
COCC[N@H+]1CC[C@@H](NS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1	1
COc1ccc(OCC(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1	0
COc1ccc2cc3[n+](cc2c1OC)CCc1cc(O)c(O)cc1-3	1
O=C(OCC[NH+]1CCCCC1)[C@H]1CC1(c1ccccc1)c1ccccc1	1
CC1(OCC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C[NH2+]C1	2
COCCN1C(=O)[C@@H]2[C@@H](CC(N)=O)[NH2+][C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O	1
C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CC[N@@H+](C)C2)cn1	2
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)CCn3ncc([N+](=O)[O-])c3C)[C@H]2SC1	-1
C[NH+](C)CC[C@@H](N)C(=O)NCC(=O)NC1CCCCC1	1
C[C@@H](C[N+](C)(C)C)OC(N)=O	1
CCn1c(C)[n+](-c2ccccc2)c2ccc(S(=O)(=O)N(C)C)cc21	1
O[C@@H](C[NH2+]C1CCN(Cc2ccccc2)CC1)c1ccccc1	1
O=C(CC[NH+]1CCN(CC[NH+]2CCCC2)CC1)Nc1ccc(Cn2cncn2)cc1	2
Cn1cc(S(=O)(=O)[N-]c2cccc(CN3C(=O)CNC3=O)c2)cc1C(N)=O	-1
CCOC(=O)[C@H]1CCCC[C@@H]1[NH+]1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2Cl)NC(=O)CC[NH3+])CC1	2
Cc1cc(=O)oc(C)c1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	1
COc1ccc2[nH+]c3ccccc3c(NCC[NH2+]CCO)c2c1	2
COCC[N@H+]1CC[C@@H](C(=O)N2CCN(C)C3(CC[NH+](C)CC3)C2)C1	2
Cn1c2ccc(C3=[NH+]CCN3)cc2c2cc(C3=[NH+]CCN3)ccc21	2
O=c1c(C[NH2+]Cc2cccnc2)cc2cc3c(cc2n1CC[NH+]1CCCCC1)OCO3	2
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1	2
C[NH+]1CCN(C[C@H]2C[C@@H](C(=O)N3CCCC3)C[N@@H+](Cc3ccc(O)cc3)C2)CC1	2
C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1	2
Cn1cc[n+](C)c1COc1ccc(C=NNC2=[NH+]CCCN2)cc1	2
C[C@H]1CCC[C@@H](C)[NH+]1CCC(=O)N1CCC2(CC1)C(=O)NCCC[N@@H+]2C	2
C[N@@H+](CCNC(=O)c1cn(C2CC[NH2+]CC2)nn1)C1CC1	2
COc1ccccc1N1CC[NH+](Cc2ccc(C)cc2)CC1	1
O=C([O-])C[C@@H]([NH2+]C[C@@H](O)CON=C1c2ccccc2-c2ccccc21)C(=O)[O-]	-1
O=S(=O)(NN1CCOCC1)c1cc(Cl)ccc1Cl	0
O[C@@]1(CN2CC[NH+](CCc3ccncc3)CC2)CC[NH2+]C1	2
C[C@@H]1C[C@@H]2Oc3ccc(Cl)cc3C(=O)N2O1	0
O=C1CC[C@@H](CC[NH2+]Cc2cccnc2)N1CC1([NH+]2CCOCC2)CCCCC1	2
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1	-1
CCOC(=O)c1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1	0
COc1ccc(OC)c(S(=O)(=O)NCc2ccc3c(c2)CCO3)c1	0
CC(C)CN1CCO[C@@H](CNC(=O)CN(CC(N)=O)C(C)C)C1	0
CC[NH+](CC)CCn1c2ccccc2n2nc(C)c(C(C)=O)c12	1
O[C@@H](C[NH2+]Cc1ccc2c(c1)OCO2)COc1ccccc1	1
Nc1c(C2CCCCC2)[nH][nH]c1=O	0
CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC1CN(S(=O)(=O)N(C)C)C1	1
Clc1ccc(COc2ccccc2C[NH2+]Cc2cccnc2)cc1	1
O=C([C@@H]1CCC[N@@H+](Cc2ccncc2)C1)N1CCCCC1	1
CCOC(=O)c1cnc2c(CC)cccc2c1N1CC[NH+](C)CC1	1
COc1cc(C[NH2+]Cc2ccc(OC)c(C)c2)cc(OC)c1	1
CC1=C(C#N)C(=O)N(C)C(=O)C1=C[NH2+]Nc1ccc(C)c(C)c1	1
C[NH+]1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1	1
COCC[NH+]1CCC(NC(=O)N[C@H]2CC[NH2+]C2)CC1	2
O=C1CN(C(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](Cc2ccccc2)C3)CCCN1	2
Cn1cc[n+](C)c1	1
CC[NH+]1CCN(C(=O)CNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)CC1	1
CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1	1
CSc1nc(-c2ccccc2)nc(SC)c1C(C)=O	0
CN(C)c1ccc(/C=C/C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1	1
O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)NCc1ccco1	1
c1ccn2cc(-c3ccc4c(c3)OCO4)cc2c1	0
[NH3+]C1CCC(OC(=O)CNC(=O)OCc2ccccc2)CC1	1
CCOC(=O)c1sc(NC(=O)CSC2=NC(=O)C(NC(C)=O)C([O-])=N2)nc1C	-1
C[NH+](C)CCCN1C(=O)N(CCc2ccccc2)C2(CC[NH+](C)CC2)C1=O	2
O=c1[nH][nH]c2c1CC[N@@H+](Cc1cc3n(n1)CCC[NH2+]C3)CC2	2
O=C(c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccccc2)c1)N1CC[NH+](C2CCCCC2)CC1	2
CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2c2cnn(C)c2)CC1	2
Cc1c(C(=O)N2CCCCC2)sc2[nH]cnc(=O)c12	0
CN1C=NC(=S)C1C[C@@H](C(=O)[O-])[NH+](C)C	0
O=S(=O)(CC[NH2+]C1CCCCC1)c1ccc(Cl)cc1	1
O=C(NC1CCCCCC1)c1cccnc1	0
NC(=O)C[NH+]1CCC(n2cc(-c3cccc(O)c3)c3c(N)ncnc32)CC1	1
CC(=O)NCC(=O)NCC(=O)NC1CC[NH+](CC(=O)N2CCCC2)CC1	1
CC1(C)CC(Nc2ncnc3sc4c(c23)CCCC4)CC(C)(C)[NH2+]1	1
CC[NH+](CC)CCNC(=O)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1	1
NC(=[NH2+])CO	1
CCS(=O)(=O)NCCNC(=O)N1CCO[C@@H](CN2CC[NH+](C)CC2)C1	1
Clc1ccc2nc(CSc3nc4ccccn4n3)cn2c1	0
[NH2+]=C1NC(=[NH2+])N(CCc2ccc(F)cc2)[C@@H](c2cccc(Cl)c2)N1	2
CS(=O)(=O)Nc1ccc(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)cc1	1
CNS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CS(=O)(=O)NC	0
CNC(=O)C(C)(C)CNC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1	1
[NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)NCC(=O)[O-]	0
C[NH+](C)CCCNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1	2
C[NH+]1CCC(Nc2ccc(C(=O)NCC[C@@H]3CCCC[N@H+]3C)cn2)CC1	2
COCC(N)=[NH2+]	1
Cc1cccc(NC(=S)N/N=C/c2ccccc2)c1	0
COc1ccc(OC)c(NC(=O)CC(C)(C)C)c1	0
C[NH+](C)CCNC(N)=S	1
CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(O)O)=C[C@H](NC(N)=[NH2+])[C@H]1NC(C)=O	1
C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2ccc(Br)o2)C1C(=O)OCC	1
COCC[N@@H+](C)CC(=O)N1CCN(Cc2ncccn2)C[C@H](O)C1	1
CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1	1
COCC[N@@H+](C)CCN1C[C@@H](NS(=O)(=O)[C@@H](C)C(=O)N(C)C)CC1=O	1
C[N@@H+](C[C@H](O)COc1cccc(C[NH2+]CCn2cccn2)c1)C1CCCCC1	2
Cn1ccnc1C[N@H+]1C[C@@H](COc2cccc(F)c2)C[C@@H](C(=O)NCCC[NH+](C)C)C1	2
CN(C)C(=O)CN(CC[NH+](C)C)S(=O)(=O)CCCS(=O)(=O)N(C)C	1
COc1cc(C[NH2+]Cc2cc(F)ccc2F)cc(OC)c1OC	1
C[NH+](CC(=O)NCCNC(=O)C[N@H+](C)C1CCCCCC1)C1CCCCCC1	2
CN(C[C@@H](O)CN1CCOCC1)S(=O)(=O)CCCN1CC[NH+](C)CC1	1
Cc1ccc(C)c(S(=O)(=O)N(CCN2CC[NH+](C)CC2)CC(=O)N2CC[NH2+]CC2)c1	2
C[NH+](C)CCn1cccc1[C@@H]([NH3+])c1ccc(Br)cc1	2
CC[NH+](CC)C[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21	1
[N-]=[N+]=N[C@@H]1C[NH2+][C@@H](C(=O)N[C@H](CCCNC(N)=N[N+](=O)[O-])C(N)=O)C1	1
CCS(=O)(=O)N1CC[NH2+]CC1	1
CC1(C)CC2(CC(C)(C)[NH2+]1)OC(=O)N1CCc3ccccc3[C@@]12C	1
CSCC[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	1
CCOC[C@@H](O)C[NH+]1CCN(C(=O)CN2CSCC2=O)CC1	1
CC1(C)C=C(n2ccccc2=O)c2cnccc2O1	0
CC[C@@]1(C)Cc2c(c([NH+]3CCOCC3)[nH]c(=S)c2C#N)CO1	1
O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)cc1NCCC[NH+]1CCOCC1	2
O=C(CSc1nnc(-c2cnccn2)s1)c1ccc(Cl)cc1	0
Cn1c(=O)c2c(nc(SCC[NH+]3CCCCC3)n2Cc2ccc(Cl)cc2)n(C)c1=O	1
C[NH+](C)CCN(C(=O)Cc1ccc2c(c1)CCC2)C1CC[NH+](C)CC1	2
CCN(CCO)C(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1	2
COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H](C)NS(C)(=O)=O	1
COc1cc(C[N+]23CN4CN(CN(C4)C2)C3)c(OC)cc1C[N+]12CN3CN(CN(C3)C1)C2	2
O=C(c1ccc(Cl)c(Cl)c1)N1CCCC1	0
CC(=O)N[C@@H]1C[N@H+](C)C2(CC[NH+](CCc3ccccc3)CC2)C1	2
CCS(=O)(=O)NCCS(=O)(=O)N1CCN(C(=O)C[NH+](C)C)CC1	1
O=S(=O)(c1ccccc1)N1C[C@H](O)[C@@H]([NH+]2CCC(C[NH+]3CCOCC3)CC2)C1	2
Nc1nc(N)nc(-c2cc(Cl)ccc2Cl)n1	0
CC1CC[NH+](CC(=O)NC2CC[NH+](Cc3cc(-c4ccccn4)nn3C)CC2)CC1	2
CC1(C)SC(=S)N(Cc2ccccc2)[C@@H]1[N+](=O)Cc1ccco1	1
COc1ccc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1	1
COc1ccc(CCN2C(=O)N(CC[NH+](C)C)C(=O)C23CC[NH+](CC(C)(C)C)CC3)cc1	2
CC(=O)N1CCCC[C@@H]1c1ccc[n+](C)c1	1
C[NH+](C)CCNS(=O)(=O)Cc1ccc(C[NH3+])cc1	2
CC(C)Oc1ccc(CNC(=[NH2+])NC(N)=[NH2+])cc1Cl	2
CCOC(=O)c1cc(C#N)c(N2CCC[NH2+]CC2)nc1C(F)(F)F	1
C[NH+]1CCN(C[C@H]2C[C@@H](C(=O)NCCc3cnc[nH]3)C[N@@H+](Cc3ccc4ccccc4c3)C2)CC1	2
O=C1[C@H]2CC3C[C@@H]1C[N@H+](C3)C2	1
COC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(C[N@@H+](C)Cc3ccccc3)cc2)CC1	2
C[C@@H](O)C[NH+]1CCN(CC[NH+](C[C@@H](C)O)C[C@@H](C)O)CC1	2
C[C@@H](O)[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)[O-]	0
Oc1ccc2c(O)c(C[NH2+]C3CCOCC3)ccc2c1C[NH2+]C1CCOCC1	2
CNC(=O)NC(=O)[C@@H](C)OC(=O)C[N-]S(=O)(=O)c1ccc(F)c(F)c1F	-1
C[NH+](C)C1(CNC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CCOCC1	2
C[NH+]1CCN(c2cc(-c3cccnc3)nc3ccccc23)CC1	1
CC[NH+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1	1
COc1c(C)c[nH+]c(CO)c1C	1
COCCNC(=O)CN1CCN(C(=O)[C@@H](NC(=O)COC)C(C)C)CC1	0
C[NH+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[N@H+]2CCNC(=O)CC2)cc1	2
O=C1NC[C@@H](CCC(=O)N2CCOCC2)[N@@H+]2C[C@@H](NC(=S)NC3CC3)C[C@@H]12	1
COc1cc2c(cc1OC)-c1cc(OCC[NH+](C)C)nc(=O)n1CC2	1
COc1ccc(Nc2nc(Cl)nc(NCc3ccco3)n2)cc1	0
Cc1ccc(N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c(C)c1	0
NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12	1
CCC(=O)N(c1ccccc1)C1(c2ccccn2)CC[NH+](CCn2nnn(CC)c2=O)CC1	1
CNS(=O)(=O)NC1CCN(C[C@@H](O)C[N@H+]2C[C@H](C)O[C@H](C)C2)CC1	1
O=C1C[C@@]2(CC[N@H+](CCOCC[NH+]3CC[C@@]4(CNC(=O)C4)C3)C2)CN1	2
NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)CNC(=O)C[NH3+])cc2)cc1	1
CCOC(=O)c1csc(-c2sccc2COc2ccccc2)n1	0
CN1CC[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1=O	2
Cc1occc1C(=O)N1CCCc2ccccc21	0
COc1ccc(C[NH2+][C@@H](CO)c2ccccc2)c(OC)c1OC	1
C[NH2+][C@@H](C)c1nc2cc(Cl)ccc2c(=O)n1C	1
CC(=O)N(C)[C@@H]1CC[NH2+]C1	1
CCOc1ccc(N2C(=O)C[C@@H](Nc3ccc([NH+]4CCCCC4)cc3)C2=O)cc1	1
O=C(CSc1nnnn1-c1ccccc1)NCc1ccco1	0
COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N-]S(=O)(=O)c1ccccc1	-1
COc1ccccc1CNC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1OC	0
O=C(Cn1cnc2ccccc2c1=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	-1
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CCOc1ccccc1	0
COCC[N@@H+](C)CCNS(=O)(=O)N1CC[NH2+]CC1	2
C[NH+](C)CCC1CCN(C(=O)C[NH+]2CCC(c3cc(=O)n4c(n3)CCCCC4)CC2)CC1	2
S=C(CC(=S)N1CCOCC1)N1CCOCC1	0
COc1ccc2ccccc2c1CCNC(C)=O	0
C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1	2
C[C@@]1(CNC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CCC[NH2+]C1	1
O=C(C[NH+]1CCC[C@@H]1CO)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2CO)CC1	2
Cc1ccc(-c2nc([N+](=O)[O-])n[nH]2)cc1	0
Cc1ccc(N2CC[NH+](Cc3ccc4c(c3)NC(=O)CO4)CC2)cc1C	1
Cc1nc(SCC(C)C)c(C#N)c(C)c1C	0
CC[NH+](CC)CCCN1C(=O)CS[C@@H]1c1ccc2c(c1)OCO2	1
COC(=O)[C@@H]1C[C@H](O)C[NH+](C/C=C/C[N@H+]2C[C@H](O)C[C@@H](C(=O)OC)C2)C1	2
CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N(C)CCNC(=O)N(C)C)CC1	1
CCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1ccco1	0
O=C(NC[C@@H]1CCCO1)c1sc2ccccc2c1Cl	0
C[NH+](C)CCN(Cc1ccc(Cl)s1)c1ccccn1	1
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1	2
C[N@H+]1CCCC[C@@H]1CCC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1	2
Cc1cc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c(C)[nH]1	2
C[NH+]1CCN(CCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2C2CC[NH2+]CC2)CC1	2
CCN(C)C(=O)C1CC[NH+](C2CC[NH+](Cc3ccccc3C)CC2)CC1	2
C[N@H+]1CCCC[C@@H]1COC(=O)C1(O)c2ccccc2CCc2ccccc21	1
O=[N+]([O-])c1ccc(CBr)cc1	0
CCOC(=O)c1c(NC(=O)c2ccc(C)cc2)sc(C(C)=O)c1C	0
CN1CC[NH+](C(C)(C)CNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1	2
[NH3+]Cc1ccc(NC(=O)CC[NH+]2CCC(O)CC2)cc1	2
CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C1	2
c1cc(CC2=[NH+]CCN2)c2c(c1)OCO2	1
CCN(CC)c1ccc(NC(=O)c2cccs2)c(N(CC)CC)[nH+]1	1
CC(C)(C)c1cc(N)nc(N)[nH+]1	1
Cc1ccc(C(=O)N(CC[NH+]2CCCCC2)CCS(=O)(=O)N2CC[NH2+]CC2)cc1	2
COc1ccc2c(c1)CC[N@@H+]1C[C@H]3CCCN(S(C)(=O)=O)[C@H]3C[C@@H]21	1
C[N@H+]1CC[C@@](N)(C(=O)N2CCC3(CC[NH2+]C3)CC2)C1	2
CCN1CCC([N@H+]2CCC[C@@H](C(=O)N(CC)CC)C2)CC1	1
C[C@@H](C[N@@H+](C)Cc1ccccc1)OC(=O)c1ccc(Br)cc1	1
CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCc2nnc([C@@H]3CCC[NH2+]3)n2CC1	2
O=C(Nc1cccc(Cl)c1)C12CC[NH+](CC1)Cc1ccccc12	1
NC1=[NH+][C@@H](C[C@@H]2CO2)CCCC1	1
N[C@@H]1CC[NH2+]C1	1
CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@@H]1C	1
N=c1n(CC(=O)CCC[NH3+])c2ccccc2n1CC(=O)NCCC[NH3+]	2
C[NH+]1CCN(c2nccc(C[NH2+][C@@H]3CCC(=O)N[C@H]3c3cccc(F)c3)n2)CC1	2
CC[NH+](CC)CCN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc21	1
CCOC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)CC1	-1
CC[NH+]1CCC([NH+]2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)CC1	2
CC(C)[NH2+]C[C@@H](O)c1ccc(O)c(NS(C)(=O)=O)c1	1
O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NC[C@@H]1C[NH2+]C[C@@H]1O	1
COC(=O)C1CCN(C(=O)C[NH+]2CCC(C[NH3+])CC2)CC1	2
Cc1cc([N+](=O)[O-])nn1CC(=O)N1CCOCC1	0
CC1=CCN(CCNC(N)=[NH2+])CC1	1
COc1ccc(-c2cc3ccccc3oc2=O)cc1	0
CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCC[NH+](C)C)[NH+](C)C)cc1	2
COc1ccc(OC)c(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[NH+](C)C)c1	2
Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1cc[nH+]cc1	1
CC(C)C[C@@H](CNC(=O)[C@@H](C)C[NH3+])[NH+]1CCOCC1	2
NC(=[NH2+])c1ccc(N2CCC(C3CC[NH+](CC(=O)[O-])CC3)CC2)cc1	1
CCOc1cc([C@@H]2[NH2+]CCc3cc(OCC)c(OCC)cc32)ccc1O	1
Cc1ccc(C[NH+]2CCC(C(=O)NCCC[NH+](C)C)CC2)o1	2
C[C@@H]1CN(C(=O)Cc2ccc(Cl)cc2)C[C@@H](C)O1	0
CC1(C)CCC[NH2+][C@@H]1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O	2
COCC[N@@H+](C)CCNC(=O)[C@@H](C[NH3+])c1ccccc1	2
CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2ncc[nH]2)CC1	2
CCc1cnc2c(=O)[nH]c3cc([N+](=O)[O-])c(-n4ccnc4)cc3n12	0
CC(C)(C)[NH2+]C[C@@H](O)COc1ccccc1-c1ccc(NN)nn1	1
Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)COC1(C)C[NH2+]C1	2
CC(=O)[C@H](NC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(C)C	1
[NH3+]CCNS(=O)(=O)c1cccc(NC(=O)CC2([NH3+])CC2)c1	2
CC1(C)[NH+]=C(N)NC(=N)N1OCCCCON1C(=N)NC(N)=[NH+]C1(C)C	2
COC(=O)CCN(C)S(=O)(=O)N1CCO[C@@H](CN2CC[NH+](C)CC2)C1	1
C[NH+](C)Cc1cc(-c2ccccc2F)nn1CCNC(=O)C[NH+]1CCCC1	2
Cc1cc(C[N@H+]2CCC[C@@H](O)C2)c(C)n1-c1cccc(C(F)(F)F)c1	1
CCOc1ccc(NC(=O)C[C@@H](C)O)cc1	0
COC(=O)N1CC[NH+](C)CC1	1
CC[NH+]1CCN(CC(=O)N[C@H]2CCC[N@@H+](CC3CCCCC3)C2)CC1	2
CN(C(=O)[C@@H]([NH3+])c1ccccc1)[C@H]1CCCC[C@@H]1[NH+]1CCCC1	2
C[NH+](C)CCNC(=O)c1c[nH]c2ccccc12	1
C[C@@H](CC(C(N)=O)(c1ccccc1)c1ccccc1)[NH+](C)C	1
CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O	0
CC1(C)CC(NC(=O)Cn2cccc([N+](=O)[O-])c2=O)CC(C)(C)[NH2+]1	1
COc1cc(C[NH+]2CCC(C(N)=O)CC2)ccc1OC[C@@H](O)C[NH+]1CCSCC1	2
C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)C1	2
CN1C(=O)C(=O)N(CCCN2CC[NH+](CCCN3C(=O)C(=O)N(C)C3=O)CC2)C1=O	1
CNS(=O)(=O)c1cn(CC(=O)NCc2ccccn2)cc1S(=O)(=O)NC	0
CC(C)[NH+](CCNC(=O)[C@@H]1CCC[N@@H+](CC(N)=O)C1)C(C)C	2
O=C([C@@H]1CCC[NH2+]C1)N1CC[NH+](Cc2ccccc2)CC1	2
COc1ccc2[nH]cc([C@H](O)C[NH+]3CCC(O)(Cn4cc[nH+]c4C)CC3)c2c1	2
[NH3+]CCN1CC[NH+](CCOc2ccc(Cl)cc2)CC1	2
[NH3+]C[C@@H]1[C@H]2CC[C@H](O2)[C@H]1CO	1
CCN1C(=O)C(=Cc2ccc(OC)cc2OC)C(=O)N(CC)C1=S	0
O=C1c2ccccc2C(=O)N1OCC[n+]1ccc2ccccc2c1	1
C[NH+]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1	1
Cc1ccccc1[N-]S(=O)(=O)c1cccc(S(=O)(=O)c2ccc(Br)cc2)c1	-1
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)c1	-1
NC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1	-1
C[C@@H]1CCCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CC(N)=O)C1	0
COc1cc(C)c(OC)c(C)c1CC1=[NH+]CCN1	1
O=c1oc2ccccc2c(NCc2ccccc2)c1C[NH+]1CCCCC1	1
Nc1c(Br)cc(Br)cc1C[NH2+]C1CCC(O)CC1	1
Cc1cc(=O)n(C)c(=O)n1CCC[NH+]1CCCC1	1
COc1ccc2c(c1O)-c1c3c(cc4c1[C@H](C2)[N@@H+](C)CC4)OCO3	1
CCn1ccnc1C[C@H]1COc2ccccc2O1	0
COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(c2nccnn2)CC1	1
CCC[C@@H](C)NS(=O)(=O)c1ccc(C)cc1	0
OC1(c2ccc(Br)cc2)CC[NH+]([C@@H]2CCSC2)CC1	1
O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCCS(=O)(=O)NC[C@@H]1CCCCO1	1
CC[NH+](CC)CCN(CC(C)C)C(=O)CN1CC[NH2+]CC1	2
C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CCSC1	2
CCOC1(CS(=O)(=O)NCCNS(=O)(=O)N(C)C)CCOCC1	0
CCNS(=O)(=O)[C@@H]1CCN(C(=O)CNS(=O)(=O)CCOC(C)C)C1	0
O=C(/C=C/c1ccc(O)c(O)c1)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	-1
NS(=O)(=O)c1ccc(S(=O)(=O)NCCCN2CCCS2(=O)=O)cc1	0
O=c1[nH]c2ccccc2n1C1CC[NH+](CCCc2noc3cc(F)ccc23)CC1	1
Cc1ccc(OCC(=O)N2CC[NH+](C)CC2)c([C@H](C)[NH3+])c1	2
COCc1cc(OC(=O)N(C)C)nc(-c2ccc(C)c(Cl)c2)n1	0
CC1(C)C[C@@H](C(N)=O)C(C)(C)[NH2+]1	1
CC[C@H](C)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CO)NC(=O)[C@@H]1CCC(=O)N1)C(=O)OC	0
CNC(=O)CN(c1ccc(OCc2ccccc2)cc1)S(C)(=O)=O	0
c1ccc2c(c1)nc(N1CCOCC1)n2CC[NH+]1CCCCC1	1
c1ccc2c(c1)OC[C@@H](C[NH2+]Cc1ccc(-n3ccnc3)cc1)O2	1
CC1[C@H](C(=O)NC[C@@]2(O)CC[NH+](C)C2)[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1	2
CC[N@H+]1CC[C@@]2(CCN(C(=O)c3cc(Cn4cc[nH+]c4C(C)C)n[nH]3)C2)C1	2
COc1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2)cc1OC	1
COCC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccc(OCCOCCO)cc2)C[C@H]1O	1
C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NCC[NH+](C)C)c1	2
COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)N1CCCOCC1	1
OC1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1	1
C/C(=N\N1CCN(c2ccccn2)CC1)c1cccs1	0
OC1(c2ccc(Br)cc2)CC[NH+](Cc2c(F)cccc2Cl)CC1	1
CC(C)NC(=O)Cc1ccc(Br)cc1	0
C[C@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C[C@@H](C)[N@H+]1CCO	2
NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)CN2CC[NH2+]CC2)CC1	2
Cc1noc(C)c1C[NH2+]CCCN1CC[NH+](C)CC1	2
Cc1ccc(C(=O)NCCC[NH+](C)C)c(N2CC[NH+](CCO)CC2)n1	2
OC1(c2ccc(Br)cc2)CC[NH+](CCCc2ccccc2)CC1	1
Fc1cccc(F)c1-c1csc(=[N+]2CCSCC2)s1	1
C=CCNC(=O)NC(=O)C[N@H+](CCC)C1CC[NH2+]CC1	2
CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)CC1	2
O=C(NCC[NH+]1CC[C@@H](O)C1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	2
C[NH+](C)CCn1c(N)[n+](CC(=O)C(C)(C)C)c2ccccc21	2
FC(F)(F)c1cccc(-c2noc(C3CC[NH2+]CC3)n2)c1	1
COc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1S(=O)(=O)N1CCOCC1	-1
CN1C(=O)C(=O)N(CC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1=O	1
CCOC(=O)C(Sc1nc(N)c(NC(=O)c2ccco2)c(=O)[n-]1)C(=O)OCC	-1
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc([C@@]4(C[NH3+])NC(=O)NC4=O)cc3)NC(=O)NC1=O)C2	1
O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1C[NH2+]C1	1
C#C[C@@H](O)C[NH3+]	1
O=C([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1	2
NC(=O)c1ccccc1O	0
C[C@@H](O)CN1CCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@H]1C	2
C[NH+](C)CCNC(=O)c1cc(-c2ccco2)nn1-c1ccccc1	1
Cc1nn(-c2nc3nc4ccccc4c-3n[nH]2)c2c1C(=O)CC(C)(C)C2	0
O[C@@]1(c2ccccc2)CN2CCCSC2=[N+]1c1ccc(F)cc1	1
COc1ccccc1Oc1ccc(S(=O)(=O)N2CCOCC2)cc1	0
C[C@H](NC(=O)C1CCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)[O-]	-1
COc1ccc(CCNC(=O)c2cccc([N+](=O)[O-])c2)cc1OC	0
O=C(Nc1cccc(C(F)(F)F)c1)c1cnccn1	0
C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	1
CN(CC(=O)N1CC[NH2+]CC1)CC(=O)N1CC[NH+](C)CC1	2
CCC(=O)NC(Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)nn2)cc1)(C(F)(F)F)C(F)(F)F	-1
C[C@@H](OC[C@@H](O)C[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1	2
CN(CCC[NH+](C)C)c1nc(N2CCN[C@H]3CS(=O)(=O)C[C@H]32)cc[nH+]1	2
C[N@H+]1CCC[C@@H](NC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1	2
CN1CCC[NH+](C)CCN(CC(N)=O)CCC[N@@H+](C)CC1	2
OCC[NH+]1CCN(c2ccc(N3CC[NH2+]CC3)nn2)CC1	2
CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)CC1	2
Cc1ccc(OC[C@H](O)c2cccnc2)c(C)c1	0
CC[NH+](CC)CCN(C)C(=O)C[C@@]1(c2cccc(F)c2)CC(=O)N(CC[NH+](C)C)C1=O	2
COc1ccc(Oc2ncccc2NC(=O)c2cccc(C)c2C)cc1	0
[NH3+]C1(C(=O)N2CCC3(CC2)[NH2+]CCc2nc[nH]c23)CC1	2
C[C@@H](c1ccncc1)N(CC[NH+](C)C)C(=O)Nc1ccc(Cl)cc1	1
CNS(=O)(=O)CC(=O)NC[C@@H](NC(=O)CS(=O)(=O)NC)C1CCCC1	0
Cn1c(SCc2ccccc2F)nc2ccccc2c1=O	0
O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1ccc([N+](=O)[O-])cc1)C31CC1	0
Cc1ccc(N2CC[NH+](C3CCN(CCc4ccccc4)CC3)CC2)cc1	1
COc1ccc2[nH]cc([C@H](C)CNC(C)=O)c2c1	0
O=C(NCCCN1C(=O)CNC1=O)NCCS(=O)(=O)N1CCSCC1	0
C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1	2
COc1cc2c3c(c4ccc(OC)c(OC)c4c2cc1OC)C[N@@H+]1CCC[C@H]1C3	1
COc1cc(/C=N/c2ccc(C(N)=O)cc2)c([N+](=O)[O-])cc1OC	0
COCC(=O)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)[N@@H+]2C1	1
CCN(CCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)S(C)(=O)=O	2
CS(=O)(=O)NCC1CC[NH+]([C@@H]2CC(=O)N(CCOCCO)C2=O)CC1	1
Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCCc1ccc2c(c1)OCO2	-1
COC(=O)C[C@@]1(C)OC[C@@H](C[NH+]2CCCCC2)O1	1
CS(=O)(=O)[N-]c1ccccc1C(=O)OCCOc1ccc(S(N)(=O)=O)cc1	-1
CC(C)[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)CC[NH2+]1	2
COc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CCN(C=O)CC2)cc1	0
CN(C(=O)[C@@H]([NH3+])Cc1ccccc1)[C@@H](CCC[NH3+])C(=O)Nc1ccc2ccccc2c1	2
CN(C)c1ccc(/C=[NH+]/C[C@H](O)CSc2nc3c(cc2C#N)CCCC3)cc1	1
Cc1nc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1C	-1
COc1cc(C[NH+]2CCCN(C(C)=O)CC2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C	2
COc1cccc(C(=O)Nc2c3c([nH+]c4c2CCC4)CCCC3)c1	1
[O-]c1c(O)c(C[NH+]2CCCCC2)c2ccccc2c1C[NH+]1CCCCC1	1
[NH3+]CCOCC[NH+]1CCN(c2ccc3nncn3n2)CC1	2
COc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)cc1	1
CCc1nc(C)nc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)c1Cc1cccc(F)c1	0
CC[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc(OC)cc2)CC1	1
COCCC1(C(=O)N[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[NH2+]CC1	2
CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](CC(=O)NC)CC1	2
COC(=O)c1ccccc1NCn1nc(-c2ccccc2)oc1=S	0
CCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1	-1
COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc(NC(C)=O)cc1	0
[NH2+]=C(NCCC[NH+]1CCCC1)NCCc1ccc(Cl)cc1	2
[NH3+][C@@H](CC(=O)N1CC[NH+](CCO)CC1)c1ccccc1	2
CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)CN1CC[NH2+]CC1	1
CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCCN2CCCC2=O)CC1	1
NC(=O)CC1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1	2
CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1C[C@@H](O)C[NH2+]1	2
[NH3+][C@@H](CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)c1ccccc1	2
COc1ccc(-c2nnc(NC(=O)c3cccs3)s2)cc1OC	0
NC(=O)c1cc[n+](Cc2ccc([N+](=O)[O-])cc2)cc1	1
O=[N+]([O-])c1cccc2nc(C[n+]3ccccc3)[nH]c12	1
S=c1[nH]ccn1Cc1ccoc1	0
CC(C)C[C@@H]([NH3+])C(=O)NO	1
Nc1noc(Cc2ccc3[nH]cc(CC[NH3+])c3c2)n1	1
COc1ccc(-c2nc3ccccc3c(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c2C)cc1	1
NC(=[NH2+])c1ccc2oc(C(=O)N3CCN(C(=O)COc4ccc(OCC(=O)N5CC[NH2+]CC5)cc4)CC3)cc2c1	2
C[NH+](C)CCCN1CC2(CCN(C(=O)[C@@H]3C[C@@H](O)C[NH2+]3)CC2)OC1=O	2
COc1ccc2[nH]c(=O)c(=O)[nH]c2n1	0
COc1cc(C[NH+](C)Cc2ccncn2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C	2
CCOC(=O)C1=C(C[NH+](CC)CC)N(C)C(=O)N[C@@H]1c1ccccc1	1
COC(=O)[C@@H]1CN(C(=O)NCCNS(=O)(=O)NC(C)C)CC[N@@H+](C)C1	1
C=CCNC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1	2
CNC(=[NH2+])NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1	2
CC[NH+](CC)CCOC1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1	2
COc1ccc(C(=O)c2c(C(=O)NN)[n-]c(=O)c(C#N)c2C(=O)NN)cc1	-1
O=C1Cc2ccccc2N1c1ccccc1	0
CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1	1
COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]c2=O)C[C@@H]1CO	1
CC[C@@H]1CCCCC[C@@H]1NC(C)=O	0
Cc1cc(=O)n([C@@H](NC(=O)c2ccccc2)C(=O)c2ccccc2)cn1	0
COc1ccc(C[NH2+]CC2(c3ccccc3)CCCC2)cc1OC	1
CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+]CCn2cc(C)cn2)CC1	2
COc1cccc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)c1	2
COc1cc(C(=O)Oc2ccc3c(c2)OCC3=O)cc(OC)c1OC	0
COc1ccc(-c2cc(N)nc(N)[nH+]2)cc1	1
C[NH+](C)CCNC(=O)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@@H+](Cc2ccncc2)C1	2
Nc1cccc2[nH+]c[nH]c12	1
CCOc1c(C(=O)OC)cc(NC(N)=[NH2+])c(NC(C)=O)c1NC(N)=[NH2+]	2
CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1cc3ccccc3o1)CC2	2
Cc1cc(C)c(C)c(C(=O)CSc2nc(N)cc(N)[nH+]2)c1C	1
Cc1nc(N)sc1CC[NH3+]	1
COC(=O)C(=C(/C)c1cc(OC)cc(OC)c1)/C(=C\c1ccccc1)C(=O)NN1CC[NH+](C)CC1	1
C[NH+](C)CCNC(=O)C1CCN(c2nc3ccccc3o2)CC1	1
C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(S(=O)(=O)CCCOC)CC1	1
COC(=O)[C@@H](CO)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CNC(=O)OCc1ccccc1	0
C[C@H]1CN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)C[C@@H](C(N)=O)O1	0
CC[NH+]1CCC(N2CC[NH+](CCOCCO)CC2)CC1	2
CCOc1ccccc1N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1	1
COc1cccc2c1CCC(=O)N2CCC[NH+]1CCN(c2cccc(Cl)c2)CC1	1
C/C(=C\C(N)=O)c1ccccc1Br	0
CN1CCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)CC1	-1
Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCN1C(=O)OC2(CC(C)(C)[NH2+]C(C)(C)C2)[C@]1(C)O	1
CC(C)NC(=[NH2+])NC(=N)Nc1ccc(Cl)c(Cl)c1	1
C[NH2+]CCOCCNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1	1
CO[C@@H]1C[NH2+][C@@H](C(=O)NCC2([NH+](C)C)CCCCC2)C1	2
O[C@@H]1C[NH+]2CCC1CC2	1
CCS(=O)(=O)NCC(=O)N[C@@H]1CCCN(C(=O)CNS(=O)(=O)CC)C1	0
O=C(CN1CCN(C(=O)C23C[NH2+]CC2C[NH2+]C3)CC1)N1CCCCC1	2
C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NC2C[NH2+]C2)C[C@@H](C)O1	2
Cn1cc(C[NH+]2CCN(c3ccc(C[NH3+])cc3)CC2)cn1	2
C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1	2
C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)C[NH+](C)C)CC2)C1=O	1
CCNC(=O)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)CN1C1Cc2ccccc2C1	2
O=C(NC1C[C@@H]2CC[C@H](C1)[NH2+]2)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1	2
CCn1c(=O)sc2cccc(Cl)c21	0
C[C@@H](C[N@@H+](C)Cc1ccccc1)OC(=O)c1ccc(Cl)cc1Cl	1
COc1cccc(S(=O)(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1	1
CC[NH+]1CCN(CC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1	2
CN(C)C(=O)C[N@H+]1CCCN(C(=O)C[NH2+]CC2CC2)CC1	2
O=C(/C=C/c1ccc2c(c1)OCO2)NCc1ccc(Cl)cc1	0
Cc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccccc32)cc1	0
CCOc1ccc(N(CC(=O)NC2CCCC2)S(C)(=O)=O)cc1	0
COc1ccc(N2CCN(C(=O)C[NH+]3CCC(Cc4cc(N)nc(C)[nH+]4)CC3)CC2)cc1	2
COc1ccc(S(=O)(=O)N2CCCO[C@@H]2CNC(=O)C(=O)NCCN2CCOCC2)cc1	0
CC[NH+]1CCN(CCNC(=O)C2CC[NH+](Cc3nc(-c4ccc(Cl)cc4)oc3C)CC2)CC1	2
N#CCC(=O)Nc1cccc(Cl)c1	0
COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1	2
C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1	2
C[NH2+]CCC[NH2+]Cc1ccc(OC[C@@H](O)c2ccc3c(c2)n(C)c(=O)n3C)cc1	2
O=C1CC[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)CCN12	0
CCOC(=O)c1cncn1[C@H](C)c1ccccc1	0
C[C@@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C[NH+]1CCN(C)CC1	1
O=C(c1ccc(F)cc1)C1CC[NH+](CCn2c(=O)nc3n(c2=O)CCCC3)CC1	1
[NH3+]CCc1c[nH]c2ccc(O)c(-c3c(O)ccc4[nH]cc(CC[NH3+])c34)c12	2
CC[C@@H](CO)NC(=O)[C@H]1C=C2c3cccc4c3c(cn4C)C[C@@H]2[N@H+](C)C1	1
Cc1nn(C)c(C)c1CN(C)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C(C)C)CC2)C1	2
C[NH2+][C@@H](C)CNC(=O)C1(n2cccn2)CC[NH2+]CC1	2
COc1ccccc1CC(=O)Nc1ccc(C)cc1	0
C[NH+]1CCC([NH2+]Cc2ccc(S(N)(=O)=O)cc2)CC1	2
CC(C)C[N@H+]1C[C@@H](C[NH+]2CCCC2)C[C@@H](C(=O)NC[C@@H]2CCCO2)C1	2
NC(=O)CN(CC(N)=O)S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1	0
CC(C)[NH2+]C[C@@H](O)c1ccc2ccccc2c1	1
CNc1nc([C@@H]2CCC[NH2+]2)nc2c1CN(C(=O)C[N@@H+](C)Cc1ccc(OC)cc1)CC2	2
CC(C)Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)CC[NH+]3CCOCC3)C2)cc1	2
COC(=O)c1cc(S(=O)(=O)N(C)C)c(Cl)cc1Cl	0
CS(=O)(=O)N(CC(=O)NC(=O)NC1CC1)CC(=O)NC(=O)NC1CC1	0
CC(C)CC[N@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCC(C[NH+]2CCOCC2)CC1	2
C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)CC1	1
CC[C@@H](C)NC(=O)CCNC(=O)C(=O)N(C)CCN1CCCS1(=O)=O	0
COCC(C)(C)[NH+]1CCN(C(=O)Cn2cnc(C(N)=O)n2)CC1	1
Cc1cc(C)[n+](C)n1C[C@@H](O)Cn1c2ccccc2c2ccccc21	1
O=C(/C=C/C(=O)c1cccc([N+](=O)[O-])c1)NCc1ccccn1	0
CCC[N@H+]1CCc2c(sc3c2c(NCCC[NH+](C)C)nc2nnnn23)C1	2
CS(=O)(=O)CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1	2
C[NH2+]CCOCCNC(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O	1
CCOC(=O)c1c(C[NH+](C)C)n(C)c2ccc(OC(C)=O)cc12	1
Cc1cnc2c(NCC[NH+]3CCCCC3)nc3cc4ccccc4cc3n12	1
C[NH+]1CCN(/C=N/c2ncc(C(F)(F)F)cc2Cl)CC1	1
C[C@H]1C[C@@H](C)C[N@@H+](Cc2nc(N)nc(Nc3ccccc3)n2)C1	1
COc1cc2nc(=S)n(CC[NH+](C)C)c(N)c2cc1OC	1
NC(=O)Cn1cc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c2ccccc21	-1
O=C(c1ccc(F)cc1)N1CCc2ccccc2C1	0
C[NH+](C)CCNC(=O)Cn1c(=S)[nH]c2ccccc2c1=O	1
CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NCCC(=O)N2CC[NH+](C)CC2)O1	1
C[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)S(N)(=O)=O	1
C[C@@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)C[NH+]1CCOCC1	2
CC[NH+]1CCC(NC2CC[NH+](Cc3ccccc3)CC2)CC1	2
C[NH+]1CCNCC1	1
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccc(C)c(C)c3)C2=O)ccc1OC(=O)c1cccs1	-1
Cc1ccc(CNC(=O)C2CCN(C(=O)C34C[NH2+]CC3C[NH2+]C4)CC2)cc1	2
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1	1
c1ccc(C[N@H+]2CCCNCC[NH2+]CCCNCC2)cc1	2
NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C2(O)C[NH2+]C2)C1	2
O=S(=O)(Nc1ccc(C2=[NH+]CCN2)cc1)c1cccc(S(=O)(=O)Nc2ccc(C3=[NH+]CCN3)cc2)c1	2
Cc1c(C(=O)N(C)C)oc2c(Cl)cccc12	0
C1C[NH+]2CCN1CC2	1
C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C[C@@H]2NC(=O)NC2=O)CC1	2
COc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c(OC)c1	0
CCOC(=O)c1c(C[NH3+])c(C)n(C2CC2)c1C	1
CC(=O)O[C@@H]1[C@H]([NH+]2CCCCC2)c2c(ccc(/C=C/C(=O)N3CCCCC3)c2O)OC1(C)C	1
O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)NCC[NH+]1CCCCC1	2
C[n+]1cc(C(=O)NCC[N+]2(C)CCCCC2)ccc1/C=N/[O-]	1
O=C([O-])CNC(=O)CNC(=O)CNC(=O)CSC(=O)c1ccccc1	-1
C[N@H+]1[C@H]2CC[C@@H]1CC(NC(=O)CSc1ccccc1)C2	1
CCn1cc(C(=O)OCC[NH+]2CCC(C)CC2)c(=O)c2c3sc(=O)n(C)c3ccc21	1
O=C1C[C@H]([NH+]2CCC(C3CC[NH+]([C@H]4CC(=O)NC4=O)CC3)CC2)C(=O)N1	2
O=C(NC1CCCCC1)N1CCC(NC(=O)C23C[NH2+]CC2C[NH2+]C3)CC1	2
CC[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H]1CCS(=O)(=O)C1	2
COc1ccc2[nH]c(C(N)=O)c(OC(C)C)c2c1	0
[NH3+]CC1CC[NH+](CCn2nc3ccccn3c2=O)CC1	2
CNc1nc(C2CC[NH2+]CC2)nc2c1CC[N@@H+](CCC(=O)N1CCOCC1)C2	2
C[NH+](C)C[C@@H]1CSCC[C@@]1(O)c1cccc(O)c1	1
CC1(OCC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C[NH2+]C1	2
CC[N@H+]1CCC[C@@H]1CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cc(Cl)ccc1OC	2
CC[C@@]1(C(=O)NCCC[NH+]2CCN(C)CC2)CC[NH2+]C1	2
C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)CC[NH+]3CCOCC3)ccc2O[C@H]1C[N@@H+](C)CC1CC1	2
O[C@H]1C[C@@H](CNc2nc(NC[C@@H]3C[C@H](O)C3)[nH+]c(N3CCOCC3)n2)C1	1
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1	2
Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1	0
C=CCNC(=O)NC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1	2
Cn1ccc[n+]1C	1
C[N@@H+](CCOc1ccccc1)CC(=O)N1CC[NH2+]CC1	2
CC(C)[NH2+]CCC(=O)N1CCC(C[NH+]2CCOCC2)CC1	2
C[N@@H+](CCCn1c(=S)[nH]c2ncccc2c1=O)Cc1ccccc1	1
C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)C1CC1	2
[NH3+][C@H]1CC[NH2+][C@@H]1C(=O)[O-]	1
O=C(NCc1ccccn1)C1CC[NH+](C[C@@]2(O)C[NH2+]CCOC2)CC1	2
NC(=O)c1cccnc1N1CCN(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1	1
CCOC(=O)CNc1nc(N)nc2ccccc12	0
O=C(CC[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1)N1CC[NH2+]CC1	2
O=S(=O)(Nc1ccccc1)c1ccc(F)cc1	0
COc1ccc(N2C[C@@](O)(Cc3ccc(C)cc3)[n+]3ccccc32)cc1	1
Cc1c(C[N@H+]2CCc3ccccc3C2)c(=O)n(-c2ccccc2)n1C	1
C[NH+]1CCN(c2nc(-c3ccccc3)nc3ccccc23)CC1	1
COCC[NH2+]C1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC1	2
CC[NH+]1CCN(c2nc3ccccc3n3c(C)nnc23)CC1	1
[NH3+]CCNC(=O)c1ccc2c(c1)C(=O)c1cc(C(=O)NCC[NH3+])ccc1C2=O	2
C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2CC[C@@H](n3cc(C(N)=O)nn3)C2)C1=O	2
O=C(c1ccc2nccnc2c1)N1CCOCC1	0
C[N@@H+](CCNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)C1CC1	1
CN1CCN(C(=O)C[NH+]2CCC(N(C)C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)CC2)CC1	2
CS(=O)(=O)N1CCC([NH3+])CC1	1
CN(CCN(C)C(=O)CCn1cc(F)c(=O)[nH]c1=O)C(=O)CCn1cc(F)c(=O)[nH]c1=O	0
CC1(C)CC(NC2CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)[NH2+]1	2
O=C1CN(CCCNC(=O)C23C[NH2+]CC2C[NH2+]C3)CCN1	2
Nc1c(-c2ccccc2)nc2ccccn12	0
C[C@@H](NC(=O)C(=O)NCC1([NH+](C)C)CCCC1)[C@@H]1C[N@@H+](C)CCO1	2
COc1cc(C[NH2+]Cc2ccc(C)cc2)cc(OC)c1OC	1
Cc1cc(C)nc(NC(=[NH2+])NC2CC(C)(C)[NH2+]C(C)(C)C2)n1	2
C[NH+](CC(=O)N1CCN(C(=O)C[N@H+](C)C2(CO)CC2)CC1)C1(CO)CC1	2
CC1(OCC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C[NH2+]C1	2
CC[NH+](C)C[C@@H]1CC[N@@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1	2
Cc1cc(Cl)ccc1OC(=O)c1ccccc1	0
CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H]([NH+]2CCCCC2)[C@@H]1O	1
COc1ccc(N2CC[NH+](Cc3cccc(C)c3)CC2)cc1	1
CC(=O)NCCNC(=O)CCC(=O)N(C)CC(=O)N1CC[NH+](C)CC1	1
C1=NC2=[NH+]C3=C(CCc4ccccc43)[C@@H](c3cccs3)N2N1	1
NC(=O)c1cc[n+](C/C=C/C[n+]2ccc(/C=N/O)cc2)cc1	2
COCC[N@@H+](C)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O	2
COC(=O)CNC(=O)c1cccc(NC(=O)CC[N-]S(=O)(=O)C(F)(F)F)c1	-1
C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1	1
CC(C)c1ccccc1NC(=O)c1ccco1	0
C[NH+](C)CCNC(=O)Nc1ccc(Cl)c(Cl)c1	1
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1[C@@H](C)CCC[C@H]1C	1
CN1CC[NH+](C[C@H]2C[C@@H](C(=O)NCC[NH+](C)C)CN(Cc3nccn3C)C2)CC1	2
Cn1ccnc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)CCNS(C)(=O)=O	1
COc1nc(C)c(CC(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)c(OC)n1	2
[NH3+]CCc1c[nH]cn1	1
CN(C)S(=O)(=O)CCCS(=O)(=O)N(C)CC(=O)N1CC[NH2+]CC1	1
COc1ccc(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	0
CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1	1
CC1(C)CC(O)(C2(O)CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)[NH2+]1	2
O=C(COC(=O)c1ccccc1Nc1ccc(F)cc1)c1ccccc1	0
COCCNC(=O)C[N+]12CC[N+](CC(=O)NCCOC)(CC1)CC2	2
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]([NH+]1CCC([NH+]3CCCC3)CC1)CO2	2
COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NCCC[NH+]2CCOCC2)c1	2
C[NH+](C)CC[C@@H](CNC1=[NH+]CCN1)c1cccc2ccccc12	2
O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccc(S(=O)(=O)[N-]c2nccs2)cc1	-1
C[C@@H]1CCC[C@@H](C)N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1	0
CN(C)S(=O)(=O)NCCNS(=O)(=O)c1cc(C(F)(F)F)nn1C	0
CC[NH+]1CCN(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	2
CNC(=O)C[NH+]1CCC(NC(=O)NCCNS(=O)(=O)NC(C)C)CC1	1
Cc1cc(C)c(N2C(=O)c3ccc(Br)cc3C2=O)c(C)c1	0
CC[NH+]1CCN(C(=O)CC2CC[NH+](CCC(=O)NC(N)=O)CC2)CC1	2
C[C@@H]([NH3+])C1CCC(C(=O)Nc2ccnc3[nH]ccc23)CC1	1
Cn1nc(C(=O)NC2CC[NH+](C)CC2)cc1C(=O)NC1CC[NH+](C)CC1	2
C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCc2n[nH]c(=O)c3ccccc23)C1	2
COCCn1ccc(=NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)[nH]1	1
CC(=O)c1cc(C[NH+](C)C)c2ccccn12	1
CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CC[NH3+])C(F)F	1
Oc1ccc([C@H]2COc3c(ccc(O)c3O)C2)cc1	0
CCC(=O)Nc1ccc2[nH]cc(C3CC[NH+](C)CC3)c2n1	1
C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1c[nH+]c2n1CCCC2)C(N)=O	1
COC(=O)c1cc2c(OC)cc(OC)cc2[nH]1	0
CN(C)c1ncc(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1C	2
COc1ccc(S(=O)(=O)[N-]NC(=S)Nc2ccc(S(N)(=O)=O)cc2)c(OC)c1	-1
CC1=NN(c2ccccc2)[C@@H](c2ccccc2)C1	0
O[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)s2)CC[C@H]1N1CCOCC1	2
CN(C)C(=O)CCN1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1	1
NC(=O)c1ccc[n+](CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)c1	1
CCOC(=O)CNC(=O)CNS(=O)(=O)CCN1C(=O)c2ccccc2C1=O	0
CSc1cccc(NC2CC[NH+](CCc3ccccc3)CC2)c1	1
CC(=O)N1CCC([NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)CC1	2
COc1cc([O-])c2c(=O)c(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)coc2c1	-1
COc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1	0
OCCN1CC[NH+](CCO)CCOCC[N@H+](CCO)CC1	2
CCOC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1	2
C[C@@H](O)C[NH+]1CCC(C[NH2+]CC(=O)NCCC#N)CC1	2
CS(=O)(=O)Nc1ccc(F)c(F)c1	0
COc1ccc(C[C@H](NC(=O)C2=C[C@@H](NC(=O)C3CC[NH2+]CC3)[C@@H](O)[C@H](O)C2)C(N)=O)cc1	1
NC(=O)c1ncn(CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1	2
Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@]2(O)CC[N@@H+](C)C2)no1	0
OC(C[n+]1cccc(Br)c1)C[n+]1cccc(Br)c1	2
Cc1ccc(-c2nc(C#N)c(N3CC[NH+](C)CC3)o2)cc1	1
CC(=O)C(=O)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1	2
C[C@@]1(CC(=O)c2ccccc2)Cn2c(=O)c3cccc4cccc(c2=[O+]1)c43	1
COCC1(CNC(=O)[C@@H]2CCN(C)S2(=O)=O)CC[NH2+]CC1	1
CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21	2
[NH3+]Cc1ccc2c(c1)CCO2	1
Cc1nc2[nH]c(=O)ccc2cc1-c1ccncc1	0
COc1ccccc1N1CC[NH+](C[C@@H]2CN=C3c4ccccc4NC(=O)N32)CC1	1
C=CC[n+]1ccc(COC(=O)Nc2ccc(Cl)c(Cl)c2)cc1	1
O=C([C@@H]1CCC[N@@H+](C[C@H]2CNCCO2)C1)N1CC[NH2+]CC1	2
Cc1cc(C(F)(F)F)n2ncnc2n1	0
CCOc1ccc(CC(=O)NCc2cn(C)nc2C)cc1OCC	0
COCC[NH+]1CCN(C(=O)C[C@@]2(c3ccccc3C)CC(=O)N(CC[NH+](C)C)C2=O)CC1	2
O=C1N=C(N2CCOCC2)CN1Cc1ccccc1	0
Cc1ncc(S(=O)(=O)NCCC(=O)N2CC[NH+](C)CC2)n1C	1
COc1cc(-c2[nH+]c3ccccn3c2N)ccc1O	1
COc1ccc2c(c1)c(C(=O)OCC[NH+](C)C)c(C)n2C	1
CN(C)C(=O)Cn1cc(C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)nn1	1
[NH3+]CC1CC[NH+](CC(=O)NC(=O)NC2CCCC2)CC1	2
NC(=O)C1CC[NH+](C2(n3nnc4ccccc43)CCCCC2)CC1	1
CC[NH+](CC)C[C@@H](O)CNC1=NS(=O)(=O)c2ccccc21	1
O=C(Cn1nc(-c2ccccc2)ccc1=O)NCC[NH+]1CCCC1	1
C[C@@H]1CCC[C@@](CNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)([NH+](C)C)C1	2
CC(=NNC(N)=[NH2+])c1ccc(Cl)cc1Cl	1
O=C(N/N=C/c1cccc(O)c1)c1ccncc1	0
C[NH2+]CCN(C)C(=O)C(=O)NCC1([NH+](C)C)CCCC1	2
COc1cc(NC(=S)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc(OC)c1	1
Cc1cc(C)cc(Sc2c(C)c[nH]c(=O)c2N)c1	0
CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[NH2+]CC1	2
CC(=O)Nc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1	1
COCCCS(=O)(=O)N1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1	1
C[NH+]1CCN(C(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1	1
Cc1cc(C)c(S(=O)(=O)N(CCCCC[NH3+])OCCC[NH3+])c(C)c1	2
CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)N1CC[NH2+]CC1	2
C[NH+](CC(=O)N1CCN(C(=O)C[N@H+](C)C2CC(O)C2)CC1)C1CC(O)C1	2
CN(C)S(=O)(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1	-1
O=C1N=C(c2ccccc2)SC1c1ccccc1	0
O=C(Cc1c(F)cccc1Cl)Nn1nnnc1Nc1ccccc1	0
Cn1c(=O)c2c(nc(NCCC[NH+]3CCOCC3)n2C)n(C)c1=O	1
CO[C@@]1(NC(=O)[C@@H](Cc2ccccc2)NC(C)=O)CN(S(=O)(=O)[O-])C1=O	-1
[NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2C[NH2+]CCO2)c1	2
COc1ccc(CN2CCN(C(=O)C[NH3+])CC2)c(OC)c1OC	1
CC(C)[NH2+]C[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21	1
CC(C)OCCS(=O)(=O)NCC(=O)N(C)CC(=O)N1CC[NH+](C)CC1	1
COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCc2nc(COC)nn2C1	1
CN(C(=O)CC[C@H]([NH3+])C(N)=O)[C@@H]1CC[C@](O)(Cn2ccc(=O)[nH]c2=O)[C@@H](O)C1	1
C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	2
CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nccs2)c1	0
Cc1c(C)n(C[C@@H](O)C[NH2+]Cc2ccco2)c2ccccc12	1
C[C@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1	1
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1	2
[NH3+]CCCc1nc2cc3sc(CCC[NH3+])nc3cc2s1	2
Cc1c(C)n(CCC[NH+](C)C)c2ncnc(NCC[NH+](C)C)c12	2
[NH3+][C@@H]1CCCCN(CC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1=O	2
C(=Nc1ccc2n[nH]cc2c1)c1ccc2c(c1)OCO2	0
CN1CCN(NC(=O)Cc2csc(-c3ccc(C[NH+]4CCN(C)CC4)cc3)n2)CC1	1
O=S1(=O)CC[C@@H]([NH2+]CCN2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)C1	2
CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)CC1	1
C[C@@H](CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1)C[NH+]1CCOCC1	2
COC(=O)CNC(=O)COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1	-1
CN1CCc2c(n(C[C@@H](O)C[NH2+]Cc3ccccc3)c3ccccc23)C1=O	1
O=C(C[NH2+]C(CO)CO)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1	1
COc1ccc(NC(=O)CSC2=[NH+]CCN2)cc1	1
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CNCCO1	2
C[NH+](C)Cc1ccccc1CNC(=O)[C@H]([NH3+])CC(N)=O	2
C[NH+](C)Cc1ccccc1CNC(=O)CNC(=O)C[NH3+]	2
CN1CC[NH2+]C[C@@H]1CNC(=O)NCCS(=O)(=O)N1CCSCC1	1
CC(C)c1c(C[N@@H+](C)[C@@H](C)Cc2ccccc2)n(C)n(-c2ccccc2)c1=O	1
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C[NH3+])C(N)=O	1
Cc1ccccc1OC[C@H](O)COC(N)=O	0
CC[C@]1(c2ccccc2)NC(=O)N(C)C1=O	0
Nc1cc(N)[nH+]c(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1	1
CCOC(=O)[C@@H]1CC2(CC[NH+](C)CC2)[N@H+]2CCC[C@@H]12	2
CC[NH+]1CCC([NH2+]Cc2cn(CCC#N)c3ccccc23)CC1	2
CC[NH+]1CCC[C@@H]1CNC(=O)c1nn(CCOC)c2c1C[N@@H+](Cc1c[nH]c3ccccc13)CC2	2
Cc1ccccc1NC(=O)c1ccc(F)cc1	0
[NH3+]CCNS(=O)(=O)c1cccc(NC(=O)C[NH2+]C[C@@H]2CCCO2)c1	2
CC[NH+](CC)CC1CC[NH+](CC(=O)NC2CCN(C(C)=O)CC2)CC1	2
O=C(CCCc1ccccc1)N[C@@H]1CCCCNC1=O	0
O=C(Nc1cccc(C2=[NH+]CCN2)c1)c1ccc(C(=O)Nc2cccc(C3=[NH+]CCN3)c2)cc1	2
COC(=O)CCNC(=O)CC[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1	2
COC[C@H]1CCC[N@H+]1C[C@H]1CN2CC[C@H]1C[C@@H]2C[NH3+]	2
C[NH+](C)CCN(C(=O)CN1CC[NH2+]CC1)C1CCCC1	2
CN/C=[NH+]/C	1
C[N@H+]1[C@H]2CC[C@@H]1CC(OC(=O)CCN1CCOCC1)C2	1
Cc1ccc(S(=O)(=O)/N=C2/NC(=O)/C(=C/c3cc(Br)cc(Br)c3[O-])S2)cc1	-1
C[N+](C)(C)CCOC(OCC[N+](C)(C)C)(c1ccccc1)c1ccccc1	2
N#C/C(=C\c1ccc(O)c(O)c1)C(=O)Nc1ccccc1	0
Cc1cccc(N2C(=O)C(=Cc3cn(CC(=O)N4CCCC4)c4ccccc34)C(=O)[N-]C2=S)c1	-1
O=C1NCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl	0
COC(=O)C(C)(C)N1CCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1	1
Cc1nc(CC[NH3+])n[nH]1	1
N#Cc1ccc(Cn2cnc([N+](=O)[O-])c2)cc1	0
CC(C)[C@@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)N1CC[NH+](C)CC1	2
CNC(=O)[C@@H]1CCC[NH2+]1	1
C[NH+]1CCC(O)(CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1	2
CC[N@H+]1CCO[C@@H](CN2CCN(C(=O)NCCNS(C)(=O)=O)CC2)C1	1
C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccc(C)cc2)C1C(=O)OC	1
CC[C@@H](c1nnnn1C1CCCC1)[NH+]1CCC(C(N)=O)CC1	1
CC(=O)NCC(=O)NCC(=O)NC[C@@H](C)[N@H+]1C[C@H](C)O[C@H](C)C1	1
O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2CO)cc1	1
CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)c(=O)[nH]2)C1	2
COc1cc(/C=C2\SC(=S)N(C=C3C(=O)[N-]C(=O)NC3=O)C2=O)cc(OC)c1OC	-1
COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@]1(O)CCC[NH2+]C1	2
CC[C@H](NC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1)C(N)=O	0
O=c1cc(-c2ccccc2)cc(-c2ccccc2)o1	0
O=C(C[C@@H]1[NH2+]CCCNC1=O)Nc1cc(Cl)ccc1Cl	1
C(=C1CCN(c2ccc(C3=[NH+]CCN3)cc2)CC1)c1ccc(C2=[NH+]CCN2)cc1	2
COCC[N@H+]1CC[C@@H](NC(=O)N2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)C1	2
O=C1C[C@@H]([NH2+]Cc2ccccc2)C(=O)N1c1ccccc1	1
Cn1cnn(CCC(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)c1=O	1
CC1=NN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@](C)(O)C1	0
CC[NH2+]CCCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	2
O=C(NCC[NH+]1CCCCC1)NC[C@@H]1CCC[C@@H](CNC(=O)NCC[NH+]2CCCCC2)C1	2
CCOC(=O)CC(=O)Nc1ccc(C(=O)OC)cc1	0
COc1ccc(Br)cc1C[NH2+]CC1CC[NH2+]CC1	2
COC(=O)c1ccccc1S(=O)(=O)C1CC[NH2+]CC1	1
CC(=O)c1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1	0
CCN(CC)S(=O)(=O)CC(=O)NCCNS(=O)(=O)Cc1ccon1	0
CO[C@H]1C[C@H](C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)N(S(C)(=O)=O)C1	1
C[N@H+](CC1CC[NH+](CCO)CC1)C[C@@H](O)Cn1cccn1	2
C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](CO)C[NH+](C)C)O1	2
CN(C)c1cc(C[C@@H]2C[NH2+]CCN(C(=O)C[NH+](C)C)C2)ncn1	2
Cc1cccc(C(=O)N2CCCC[C@@H]2C)c1	0
CN1CCN(C(=O)[C@@]23CC=CC[N@H+](CC(C)(C)CN4CC[NH+](C)CC4)[C@@H]2CCC3)CC1	2
N=C1N[C@@]2(CCc3cccc(Cl)c3C2)CO1	0
COC(=O)CN1CCC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)CC1	1
C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)CN2CC(=O)[O+]=N2)C1	2
CC(C)CCNC1=NS(=O)N=C1Nc1cc(Cl)cc(Cl)c1	0
CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1	1
O=C(NCCO)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@@H+](CCc2ccccc2)C1	2
CC[N@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)CCN2CCCS2(=O)=O)C1	1
C[NH+](C)CCNC(=O)c1cccnc1N1CC[NH+](C)CC1	2
C[C@@H]1CN(C)C(=O)C[NH2+]1	1
Cc1cnc(C[NH2+]Cc2cccc(OC[C@@H](O)C[N@H+]3CCc4ccccc4C3)c2)cn1	2
CC(C)C[N@H+]1CCCN(C(=O)c2cn(CC[NH3+])nn2)CC1	2
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H]1CNC(=O)C1)C(C)C	0
c1ccc2c(c1)[nH]c1nc(SCC[NH+]3CCCCC3)nnc12	1
N/C(=N\O)c1cc[n+](CCC[n+]2ccc(/C=N/O)cc2)cc1	2
COCC1(CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC[NH2+]CC1	1
Cn1ccnc1C[NH3+]	1
Cc1ccc2c(c1)c1c3n2CCN(C[C@H](O)C[NH+]2CCCC2)[C@H]3CCC1	1
COc1ccc(-c2cc3cc(C)c(C#N)c(N4CCCC4)n3c2)cc1	0
CC[C@@H]([NH3+])c1ccc(OCC(=O)N2CC[NH+](C)CC2)cc1	2
COc1ccc(S(N)(=O)=O)cc1C(=O)NC1CC[NH+](C)CC1	1
Cc1nnc(N[C@@H](NC(=O)c2ccco2)C(=O)c2ccccc2)s1	0
O=C(NCCc1cnc[nH]1)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C1CCCC1)C2	2
CCN1CC[NH+](C[C@@H](O)COc2cccc(C[NH+]3CCCC3)c2)CC1	2
[NH3+]CC(F)(F)CNC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1	1
O=C([O-])c1ccc(NC(=O)c2cc3cc(Br)cc(Br)c3oc2=O)cc1	-1
CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCN(CC(N)=O)C(=O)C1	1
COC(=O)c1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2	-1
CCCC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(F)c1	0
CCOC(=O)NCc1ccc2c(c1)OCO2	0
C[NH+](C)CCC[NH2+]Cc1cc2cc3c(cc2[nH]c1=O)OCO3	2
CC[NH+]1CCN(CC(=O)N2CCC[C@@H]([N@@H+](C)CCc3ccccn3)C2)CC1	2
O=C(NC[C@@H]1CCCO1)C1CC[NH+](C[C@@H]2CC=CCC2)CC1	1
CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@](C)(O)CN1CCOCC1	1
COC(=O)Cc1cc(=O)[n-]c(SCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)n1	-1
CN(C)C(=[NH2+])NC(=[NH2+])Nc1cc2ccccc2c2ccccc12	2
O=C(NCCCCCCNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]1	2
C[NH+]1CCN(NC(=O)C2CCCC2)CC1	1
CNC(=O)Oc1cc(C[NH+](C)C)c(OC(=O)NC)cc1C[NH+](C)C	2
COCCC[N@@H+](C)CCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1	2
Cc1nn(C)cc1C(=O)c1ccccc1	0
COc1ccc(/C=N/NC(=S)N/N=C/c2ccc(OC)cc2)cc1	0
CON1[C@@H]2CCCC[C@H]2N[N+]1=O	1
C[C@@H]1CN(C(=O)NCCNS(C)(=O)=O)C[C@@H]1[NH+]1CCOCC1	1
C[C@@H](CNC(=O)NC1CCN(CC(=O)N(C)C)CC1)N1CCOCC1	0
COc1ccc(/C=N/N=C2/C(=O)Nc3ccccc32)cc1OC	0
Oc1cc2c(cc1C(O)(C(F)(F)F)C(F)(F)F)OCO2	0
O=c1[nH]c2ccccc2n1C1CC[NH+](CCOc2ccccc2)CC1	1
C[N@H+]1C[C@@H](C[NH+]2CCCCCC2)[C@H](O)[C@H](c2ccccc2)C1	2
C=CC[N+]([O-])(CC=C)c1nc(N)nc(N)n1	0
Fc1ccc2c(/C=C/c3cccnc3)c[nH]c2c1	0
CC[N@H+]1CCO[C@@H](CNC(=O)C(=O)N(C)C[C@@H](O)CN2CCOCC2)C1	1
O=C([O-])COCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccc(F)cc1	-1
CC[N@@H+]1C[C@@H](NC(=O)C(=O)NCC(C)(C)N2CCOCC2)[C@H](C)C1	1
CNC(=S)NCCN(CCN(CCNC(=S)NC)C(=S)NC)C(=S)NC	0
COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(CC(N)=O)C(=O)C1	1
CC1CC[NH+](CC(=O)N2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)CC1	2
OC[C@H](C#CC[NH+]1CCCC1)NCc1ccccc1	1
C[C@@H](O)c1ccc(-c2ccc(C[NH2+]CC3CC[NH2+]CC3)o2)cc1	2
C[N@H+](CCc1nnn(C(C)(C)C)n1)CCN1CC[NH2+]CC1	2
CC1(C)CN(C(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CC[N@H+]1CCO	2
CC[C@@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@@H](CC(N)=O)C(=O)[O-]	-1
CC(C)[NH+]1CCC([NH2+]C2CCN(S(C)(=O)=O)CC2)CC1	2
NC(=O)C[C@H](N)C(=O)NC(=S)NCCc1ccc(S(N)(=O)=O)cc1	0
[NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH2+]1	2
COc1ccc(C(=O)OCC[N@@H+](C)Cc2ccccc2)cc1	1
NC(=O)C[NH+]1CCC(C(=O)N2CC[C@@]3(CCC[N@@H+](CC4CCCCC4)C3)C2)CC1	2
C[C@H](NS(C)(=O)=O)C(=O)N(C)CCN(C)C(=O)[C@H](C)NS(C)(=O)=O	0
C[NH+]1CCC(N2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)Nc2ccccc2)[N@H+]3C)CC1	2
O[C@@H](C[NH2+][C@@H]1CN2CCC1CC2)COc1cccc2ccccc12	1
O=c1ccc(-c2ccc(F)cc2)nn1CN1CCCCC1	0
CCNC(=O)[C@@H](C)[NH3+]	1
COCCNC(=O)[C@H](CC(C)C)NS(=O)(=O)N1CCS(=O)(=O)CC1	0
NC(=O)C1([NH+]2CCCCC2)CCN([C@@H]2OC(=O)c3ccccc32)CC1	1
COc1ccc(C(=O)OC[C@@H]2CCC[N+]3(C)CCCC[C@@H]23)c(OC)c1	1
CC(C)(C)Nc1nc(NC(C)(C)C)[nH+]c(N2CCCCC2)n1	1
Cc1ccc(C(=O)N/C(=C/c2cccs2)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1C	1
COc1cccc(CNc2ccc3c(c2)[nH+]cn3C)c1OC	1
Cn1c(COc2ccc(C=NNC3=[NH+]CCN3)cc2)c[n+]2ccccc12	2
CCOC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)C1=O	0
Cn1c(=O)c2nc(SCC(=O)NCCC[NH+](C)C)[nH]c2n(C)c1=O	1
[NH3+][C@@H](CO)[C@@H](O)c1ccccc1	1
CC[NH+](CC)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	1
COc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)c1	0
C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1	1
CC[NH+]1CCN(CCN2CC3(CCN(C(=O)C[NH3+])CC3)OC2=O)CC1	2
[NH3+][C@@H]1CCCC[C@@H]1CC(=O)NCCC[NH+]1CCOCC1	2
O=C(CC[NH+]1CCc2ccccc2CC1)c1ccc2c(c1)OCCO2	1
CCN(C(=O)c1cc(C)cc(OC[C@H](C)Nc2cc[nH+]cc2)c1)C(C)C	1
CC(C)(C)c1cc(C[NH+](CCO)CCO)c(O)c(C(C)(C)C)c1	1
NC(=[NH2+])NN=Cc1ccncc1	1
C[C@@H](NC(=O)c1cc(=O)[nH]c(N(C)C)n1)C(=O)NCC[NH+](C)C	1
C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Br)cc1	1
C[NH+](C)Cc1cc(C[NH+]2CCC3(CC2)NCCNC3=O)ccc1O	2
CSc1nccc2ccccc12	0
Cc1[nH+]ccn1CCC[NH2+]Cc1c(C(=O)N2C[C@H](C)O[C@H](C)C2)nc2ccc(Cl)cn12	2
C[C@@H]1C(=O)N(CC[NH+](C)C)CN1S(=O)(=O)CCCS(=O)(=O)N(C)C	1
CC(C)(C)NSC(=S)N1CCOCC1	0
COc1cc(CNC(=O)c2ccccc2SC)cc(OC)c1OC	0
CC[NH2+]CCC[NH2+]Cc1ccc2c(c1)n(C)c(=O)n2C	2
S=C1N(CN2CCCCC2)CCN1C[NH+]1CCCCC1	1
Cc1ccc(OC[C@@H](O)C[NH+]2CCC(C(N)=O)CC2)c([N+](=O)[O-])c1	1
C[NH+]1CCC([NH2+][C@@H]2CCCc3c2cnn3CCO)CC1	2
CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3cn(C)nc3-c3ccccc3)C[C@@H]2CCO)CC1	2
C[NH+]1CCN(c2cc(CNC(=O)NCC[NH+]3CCCC3)ccn2)CC1	2
COc1c(C)c[nH+]c(CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1C	2
CCN(CCC[NH2+]C1CC[NH+](C)CC1)S(C)(=O)=O	2
O=C(NCc1nnnn1-c1ccccc1)[C@@H]1CC2(CC[NH2+]CC2)C[NH2+]1	2
OCC[NH2+]CCC[NH2+]Cc1cnc(N2CCCC2)nc1	2
CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C	1
CCN1c2ncccc2NC(=O)c2cc(Br)cnc21	0
C=C1[NH+]=C(SCC)N[C@@H](c2ccccc2)C1C(=O)OCC	1
CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1cnc(C(N)=O)n1	2
C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2cccc(OC)c2)C1C(=O)OCC	1
CCOC(=O)C1CC[NH+]([C@@H](C)CCc2ccc(O)cc2)CC1	1
CS(=O)(=O)NCCS(=O)(=O)N[C@@H]1CC[C@@H]([C@H]([NH3+])C(=O)N2CCCC2)C1	1
C[NH+](C)CCn1ccc(=NC(=O)C(=O)NCCNc2cnccn2)[nH]1	1
COc1ccc(O)c(C(C)(C)C)c1	0
COc1ccc(C(=O)COc2ccc(Br)cc2)c(O)c1	0
C[C@H](O)C[NH+]1CCN(c2cncc(N3CC[NH+](C[C@H](C)O)CC3)n2)CC1	2
CC1(C)O[C@@H]2O[C@H](C(=O)NCC(=O)NCC(=O)[O-])[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1	-1
O=C(CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F)NCCN1CCOCC1	1
CC(=O)Nc1ccccc1OC[C@@H](O)C[NH+]1CCC(C(N)=O)CC1	1
[NH3+]CCN1C(=O)c2n[nH]c(-c3ccccc3)c2[C@@H]1c1ccccc1	1
C[C@@H](C(=O)N(C)C1CC[NH+](C)CC1)N1CC[NH2+]CC1	2
CN(CCCNC(=O)CN1CCC[C@@H](CNS(N)(=O)=O)C1)S(C)(=O)=O	0
CC[C@@H](C)[C@H](C(=O)OC1CC[NH+](C)CC1)c1ccccc1	1
C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1	2
Cc1cccc(Oc2ccc(C#N)c(C#N)c2)c1C	0
CCOC(=O)C1CCN(C(=O)C2CC[NH+](Cc3ccc(OCC)cc3)CC2)CC1	1
CN(C)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1	0
O=C(CNS(=O)(=O)c1cccs1)Nc1nc(N2CC[NH2+]CC2)n[nH]1	1
O=C(NC[C@@H](O)C[NH+]1CCCCC1)NC1CC[NH+](C2CC2)CC1	2
Cn1c(=O)ccn(CC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1=O	1
C[NH+](C)C[C@@H]1CSCCC1=O	1
CC(C)(C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)N1CC[NH2+]CC1	2
CNC(=[NH2+])Nc1ccc2c(c1)Cc1cc(NC(=[NH2+])NC)ccc1-2	2
CC(C)(C)NC(=S)Nc1ccc(C#N)cc1	0
Cn1ccnc1CNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1	2
CN1CCN(c2nc3ccccc3nc2N2CC[NH+](C)CC2)CC1	1
C[N+](C)(C)c1cnc(=O)[nH]c1	1
CCC[NH+]1CCC([NH2+][C@@H]2CCCc3nc(N(C)C)ncc32)CC1	2
CN(C(=O)Cc1cccc2occc12)[C@@H]1CC[C@]2(CCCO2)C[C@H]1[NH+]1CCCC1	1
C[NH+]1CCN(C[C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3CNC(=O)c2ccc3c(c2)OCO3)CC1	2
Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCO	0
O=C(C[NH+]1CCCC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	1
C[C@@H]1C[C@H](O)C[NH+]1CC(=O)N1CCN(C(=O)C[N@@H+]2C[C@@H](O)C[C@H]2C)CC1	2
COc1ccc(N2C(=O)/C(=C\c3ccc(OCC(N)=O)cc3)C(=O)[N-]C2=S)cc1	-1
C[C@@H](NS(=O)(=O)CCCN1CC[NH+](C)CC1)[C@@H]1CN(C)CCO1	1
CCOC(=O)C1CC[NH+](Cc2c[nH]c3ccccc23)CC1	1
CNS(=O)(=O)NCC(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1	1
CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1cn(C)c3ccccc13)CC2	2
CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CC3CCC2(C[NH3+])CC3)nn1	2
CCOc1ccc2[nH]c3c(NC[C@@H]4CCC[N@H+]4CC)ncnc3c2c1	1
CC(C)([NH3+])C(N)=O	1
Oc1c(/C=[NH+]/N2CCOCC2)cc2c3c1CCCN3CCC2	1
COC(=O)c1cc(Cl)cc(S(=O)(=O)N(CC(N)=O)CC(N)=O)c1OC	0
NC(=[NH2+])NCCC[C@H]([NH3+])COC(=O)NCC(=O)NCCOC(N)=O	2
Cc1nc(-c2cc(C(C)(C)C)c3c(c2)C(C)(C)CO3)no1	0
O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)cn1	0
C[NH2+]Cc1cn(C[C@H]2O[C@@H](CC(=O)N3CCC[C@@H]3COC)[C@H](O)[C@@H]2O)nn1	1
C[NH2+]CC1CC[NH+](CC(=O)NC(=O)NCC(C)C)CC1	2
C[NH+](C)CCN1C(=O)C[C@@H]([NH+]2CCC(N3CCCNC3=O)CC2)C1=O	2
CCn1c(N)c(C(=O)CN2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c(=O)[nH]c1=O	1
[NH3+]CC(=O)NCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1	2
CN1C(=O)C[C@H](N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1=O	1
NCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1	0
COCCN1CC[NH+](Cc2c(C3CC[NH2+]CC3)[nH]c3ncccc23)CC1	2
C[N@@H+](CCCNC(=O)[C@@H]1C[NH2+]CCO1)C1CCCCC1	2
COc1cccc([C@@H](C[NH3+])N2CC[NH+](CCO)CC2)c1	2
CCCC(=O)c1cc(F)ccc1OC[C@H](O)C[NH2+]C(C)(C)C	1
Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccccn2)[NH+]2CCCCC2)c1C	1
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1	1
Cc1ccccc1C(=O)NCc1ccccc1	0
NS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1	2
COCCNC(=O)C1CC[NH+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1	2
CN(C)/C=C(\C=[N+](C)C)c1cc(/C(C=[N+](C)C)=C/N(C)C)[nH]n1	2
C[C@@H]1CCCC[N@H+]1CCN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccccc1	2
Cn1c(N)c(C(=O)COC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c(=O)n(C)c1=O	-1
Brc1ccccc1CN1CCC([NH+]2CCCCC2)CC1	1
CCS(=O)(=O)NCCS(=O)(=O)N1CCO[C@@H](CNC(=O)NC)C1	0
C[C@@H]([NH3+])Cc1cccc(O)c1	1
CC(C)[N@H+]1CCc2c(sc(N)c2C(N)=O)C1	1
CC(=O)Nc1ccc(OCC[n+]2cccc(C(N)=O)c2)cc1	1
CCN1C[C@@H]([NH3+])CC1=O	1
CN(CCCNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)CC[NH+](C)C	1
COc1ccc(O)c(C=Nc2nnc[nH]2)c1	0
O=c1c2cc3c(=O)n(CC[NH+]4CCCCC4)c(=O)c3cc2c(=O)n1CC[NH+]1CCCCC1	2
C[n+]1cccc(C(N)=O)c1	1
C[C@@H](NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)[C@@H]1CN(C)CCO1	1
O=C1COc2ccc(C(=O)c3ccccc3)cc2CN1	0
Fc1ccc(C[N@H+]2CCCN(C(=S)NC3CCCCC3)CC2)cc1	1
CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@@]2(N)CC[N@@H+](C)C2)c1	1
N#Cc1sc2nc3ccccc3n2c1/[NH+]=C/N1CCOCC1	1
Nc1ncnc2nc(Sc3ncnc4ccccc34)[nH]c12	0
CN(C[C@@H]1CC[N@@H+](C)C1)S(=O)(=O)CCCS(=O)(=O)N=c1nc[nH]n1C	1
NC(=[NH2+])c1ccc(C(=O)NCCc2ccc(OCC(=O)[O-])cc2)cc1	0
C=C(C)CSc1nc2ccccc2c(=O)n1-c1ccc(OC)cc1	0
COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1	1
Cc1cc(/C=C2/NC(=O)[N-]C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	-1
CN(CCN(C)/[NH+]=C/c1ccc(N(C)C)cc1)/[NH+]=C/c1ccc(N(C)C)cc1	2
C[NH+](C)CCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)cc1	1
CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])[C@@H]1CNC(=NC(N)=O)NC1=O	2
CC(=O)Nc1ncc(C[NH+]2CCC(c3ccccc3)CC2)s1	1
COc1ccc(O)c(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c1	2
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCC(=O)N1CCOCC1	-1
Cc1cc(NC(=O)CN2CCN(C(=O)[C@@H](N)CC[NH+](C)C)CC2)no1	1
C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1=O	2
Cn1c(C(=O)c2ccccc2)nc2ccccc21	0
C[NH2+]CC(=O)Nc1ccc(NC(=O)C[NH2+]C)c2c1C(=O)c1ccccc1C2=O	2
COc1ccc(Cl)cc1C(=O)NC(C)C	0
COC(=O)[C@@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1[N@@H+]2C	1
C[NH+](C)C[C@@H](O)COc1cccc(OC[C@H](O)C[NH+](C)C)c1	2
O=C([O-])CCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	-1
Cc1ccc(Cn2ncc3c(N4CC[NH+](C)CC4)ncnc32)cc1	1
[NH3+]CC1=CNCC=C1	1
CCn1ccc(C[NH2+]C)n1	1
O=C1C[C@@H](Sc2nc3ccccc3s2)C(=O)N1c1ccccc1	0
COc1ccc(C)cc1NC(=O)c1ccc(OC(C)=O)cc1	0
CC(C)(CO)[N+](C)(C)C	1
COc1cc(C[NH2+]Cc2ccc(OC)cc2OC)cc(OC)c1	1
COCCCS(=O)(=O)NCC[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1	2
O=c1/c(=C/c2cccc(O)c2)sc2nc3ccccc3n12	0
C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cccs3)CC2)CC1	2
O=S1(=O)CC[C@@H]2C[NH2+]C[C@@H]21	1
Cc1ccc(C)c(NC(=S)N(C(C)C)C2CC[NH+](C(C)C)CC2)c1	1
NC(=[NH2+])NCc1nn(Cc2ccccc2)c(=O)c2ccccc12	1
NC(=O)CN1C(=O)[C@@]2(CC[N@@H+](Cc3cc4n(n3)CC[NH2+]C4)C2)c2ccccc21	2
COCC[NH2+]C1CCN(C(=O)C(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)CC1	1
CCC[C@@H]1C[NH2+][C@H](C(=O)N[C@@H]([C@@H](C)O)[C@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@H]2O)C1	1
CCc1ncc2c(=O)[nH]c3cccnc3n12	0
COc1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2C)cc1	0
O=c1[nH]c2ccccc2n2ccnc12	0
Cc1[nH]c2ccc([N+](=O)[O-])cc2c1CCN1C(=O)OC(C)(C)[C@]1(C)O	0
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCCN1CCN(S(C)(=O)=O)CC1	1
O[C@H](C[NH2+]Cc1ccc2c(c1)OCO2)CSc1cccs1	1
COc1ccc(OC)c(NC(=O)c2cc3ccccc3c(=O)o2)c1	0
C[NH+](C)CC1CCN([C@@H]2CS(=O)(=O)C[C@@H]2[NH3+])CC1	2
Cc1[nH]c2c(C)cccc2c(=O)c1C[NH+]1C[C@H](C)O[C@@H](C)C1	1
[NH3+][C@@H]1C[C@@H]2CN(C(=O)NC3CCC([NH+]4CCNCC4)CC3)CCN2C1=O	2
C[C@@H](C[NH+]1CCCCC1)NC(=O)C1(C[NH3+])CCOCC1	2
CS(=O)(=O)N1CCC(CNC(=O)NCCS(=O)(=O)NC2CC2)CC1	0
C[N@H+]1CCCN(S(=O)(=O)N2CCC[NH2+]CC2)CC1	2
CS(=O)(=O)c1ccc2nc(NC(=O)CCn3[n-]c(=O)ccc3=O)sc2c1	-1
CCOc1cc2c(cc1OCC)[C@H](c1ccc(Cl)cc1)OC(=O)C2	0
C[NH+](C)C[C@@H](CO)NC(=O)c1ccc(C(=O)N[C@@H](CO)C[NH+](C)C)o1	2
CCN(CC)C(=O)[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1	1
COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N1CC[NH2+]CC1	2
C[N+]12CCCC[C@@H]1[C@H](COC(=O)c1ccc3c(c1)OCO3)CCC2	1
NCc1nccn1Cc1ccsc1	0
C[NH+](C)Cc1ccc(C(=O)N2CCN(CC(N)=O)C(=O)C2)cn1	1
C[NH+](CCO)CC1c2ccccc2C(C[N@@H+](C)CCO)c2ccccc21	2
CCS(=O)(=O)N(C)CC(=O)N[C@@H]1CC(=O)N(CC[N@@H+](C)CCOC)C1	1
C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1C[NH2+]CCO1	2
CC(C)CNC(=O)[C@@H]1C[C@H](CN2CC[NH+](C)CC2)C[N@@H+](CC(C)C)C1	2
OC1CCN(Cc2ccccc2Br)CC1	0
COc1cc(Cc2c[nH+]c(N)nc2N)cc2c1N[C@@](C)(CF)C(F)=C2C	1
C[C@@H](NC(=O)CNS(=O)(=O)c1cn(C)cn1)C(=O)NCC[NH+](C)C	1
O=C(NCC[NH+]1CC[C@@H](O)C1)C1(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)CCC1	2
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3C)cc2)nc(C)n1	-1
Cc1ccc(C(=O)Nc2ccccn2)cc1C	0
CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1	2
CCO[C@@H]1CN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@H]1C[NH3+]	2
C[N@@H+](CCN1C(=O)c2ccccc2C1=O)C1CC[NH2+]CC1	2
C[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1	0
O=C1C=CC(=O)N1Cc1ccc[n+](CCC[n+]2cccc(CN3C(=O)C=CC3=O)c2)c1	2
CC[NH+]1CCN(c2oc(COc3ccccc3)nc2C#N)CC1	1
COCC[NH+]1CCC(C[N@H+](Cc2cnc(N(C)C)s2)C[C@@H]2CCCO2)CC1	2
C[NH+]1CCC(C(N)=O)CC1	1
[NH3+]CC(=O)NC1CC1	1
CCCn1c(NCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C	0
S=c1[nH]c2ccccc2n1Cc1ccccn1	0
NC(=O)C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1	1
CC(C)C[C@@H]1[NH2+][C@H](C(=O)NCC[NH+](C)C)Cc2cn(Cc3nccn3C)c3cccc1c23	2
CCc1nnc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)s1	0
OC1(c2ccc(Cl)cc2)CC[NH+](Cn2nnc3ccccc32)CC1	1
CC(C)[N@H+]1CCCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1	2
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1	2
CCS(=O)(=O)NCCS(=O)(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+]	1
C[N@H+]1CCC[C@@H](NS(=O)(=O)C[C@@H]2CCCC[NH2+]2)C1	2
COc1ccc2[nH]c(C(=O)N(C)C3CC[NH+](C)CC3)cc2c1	1
O=C(NCc1ccncc1)[C@H]1CCCC[NH2+]1	1
COc1ccc2[nH]c(=O)c(C[N@H+]3C[C@H](O)[C@@H](N4CC[NH+](C)CC4)C3)cc2c1	2
[NH3+]CCCNC(=O)c1ccc(C(=O)NCCC[NH3+])cc1	2
C[N@H+]1CC[C@@H](CNS(=O)(=O)CCCS(=O)(=O)Nc2ccc(=O)[nH]n2)C1	1
Cc1cc(OC[C@@H](O)C[N@@H+]2CCCC[C@H]2C)ccc1Cl	1
C/C=C/C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1	1
CNS(=O)(=O)NCC(=O)N1CCC([NH+](CCOC)CCOC)CC1	1
C[C@@H](NC(=O)C(=O)N1CCC([N@H+](C)CCO)CC1)[C@@H](C)N1CCOCC1	1
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1nccn(C)c1=O	1
COc1cc(C[NH2+]C(C)(C)C)ccc1OCC(=O)NC(C)(C)C	1
C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2CCC[C@@H](Cn3ccnn3)C2)C1=O	2
COC(=O)c1ccc(N2C(=O)[C@@H](C)S[C@H]2c2ccccc2)cc1	0
C[NH+]1CCN([C@@H]2[C@H](O)[C@H](CO)O[C@@H]2C[NH2+]Cc2ccc(F)cc2)CC1	2
CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCC[NH3+])C(N)=O	2
CC[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)C1	2
CC[N@H+]1CCO[C@@H](C(=O)NCCS(=O)(=O)N2CCSCC2)C1	1
NC(=O)COc1ccccc1C1=NO[C@@](CC(=O)[O-])(C(=O)NCc2ccccc2)C1	-1
O=C([C@@H]1CCCC[NH2+]1)N1CCN(Cc2cccnc2)CC1	1
C[NH+](C)CCN1CCC(CNC(=O)[C@H]2C[NH2+]CCO2)CC1	2
Cc1nc(S(=O)(=O)NCC(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cn1C	1
Cc1nonc1OCCNC(=O)[C@@H]1CC2(CC[NH2+]CC2)C[N@@H+]1C	2
O=[N+]([O-])c1ccc2c3c(ccc(Br)c13)CC2	0
O=C1C[C@H]([NH+]2CCSCC2)C(=O)N1CCc1ccccc1	1
C[NH+](C)CCCN(CCC[NH+](C)C)C(=S)Nc1ccc(F)cc1	2
CC(C)(C)[C@H]([NH3+])C(=O)N1CCC[C@@H]1C#N	1
COc1ccc([C@@H](CNC(=O)CN2CC[NH+](C)CC2)[NH+]2CCCCC2)cc1	2
CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1	2
C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCC(C)(C)NS(C)(=O)=O	0
[NH3+]C[C@@]1(O)C2CN3CC[N@H+](C2)CC1(c1ccccc1)C3	2
COc1ccc(CC(=O)Nc2cc(C)cc(C)c2)cc1	0
NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]cn1	0
O=C([O-])[C@@H]1C2C[C@@H]3C[C@H](C2)CC1(n1ncc(N2CCN(c4cccc(C(F)(F)F)c4)CC2)c(Cl)c1=O)C3	-1
Cc1nc2c(c(N3CCC(C(N)=O)([NH+]4CCCCC4)CC3)n1)CC[N@@H+](Cc1ccccc1)C2	2
COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1	1
O=C(Cn1cc(I)c(C(=O)NC[C@@H](O)CO)n1)NC[C@@H](O)CO	0
N#Cc1nc(-c2ccccc2)oc1NCC[NH+]1CCCCC1	1
Cc1nc(SCC(N)=O)c(C#N)c(C)c1CC(=O)c1ccccc1	0
O=C(NCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3c(Cl)cccc3Cl)nc2)s1)c1ccccc1	-1
CN(C1CC[NH+](C)CC1)S(=O)(=O)N1CC[NH2+]CC1	2
Oc1ccc(C[C@@H]2[NH2+]CCc3cc(O)c(O)cc32)cc1	1
COc1ccc(C[C@H](C)[NH2+]C[C@@H](O)c2ccc(O)c(NC=O)c2)cc1	1
O=C(NCC[NH+]1CCCCC1)c1[nH]nc2c1C[NH2+]CC2	2
O=C([O-])CC[C@@H]1N[C@@]2(C(=O)Nc3ccc(F)cc32)[C@H]2C(=O)N(C[C@H]3CCCO3)C(=O)[C@@H]12	-1
COCCNC(=O)CN1CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)CC1	1
CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F	2
CC[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCCOC[C@@H]2CCCO2)C1	1
COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1	2
CC[NH+]1CCN(c2nc(N3CC[NH+](C)CC3)c3cnn(C)c3n2)CC1	2
CCOC(=O)c1c(COc2ccc(Br)cc2)n(C)c2cc(Br)c([O-])c(CN3CCOCC3)c12	-1
CC(=O)NCCCC[C@H]([NH3+])C(=O)N1CC[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(O)C1	1
C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@@H]1[NH+]1CC[C@@H](O)C1)[C@@H]1C[N@@H+](C)CCO1	2
CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2NC(=O)c2cc(=O)n(C)c(=O)n2C)CC1	2
Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc1	1
NC(=O)c1ccn2c1CS[C@H]2c1cccnc1	0
CC1(C)NC(=[NH2+])NC(=N)N1OCc1ccc(Cl)c(Cl)c1	1
COC(=O)C(O)=C(C(=O)C(=O)[N-]c1[nH][n-]c(=S)[nH+]1)c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O	-1
C[N@H+]1CCCN(c2cnn(C[C@@H]3CC[NH2+]C3)c(=O)c2)CC1	2
CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1CN2CCCN1CC2	1
COc1ccc2c(c1)c(C(=O)CNC1=[NH+]CCS1)c(C)n2C	1
CC(C)[NH+]1CCC(N(C)C(=O)CN2CC[NH2+]CC2)CC1	2
NC(=O)C1([NH+]2CCCCC2)CCN(c2nc(-c3ccccc3)cs2)CC1	1
NC(=O)c1ccccc1NC(=O)COc1ccc(-c2ccccc2)cc1	0
C[N@H+]1CCc2cc(Cl)c(O)cc2[C@H](c2cccc3c2OCC3)C1	1
CCC(=O)N(c1ccccc1)C1(C(=O)OC)CC[NH+](CCC(=O)OC)CC1	1
Cn1cc(S(=O)(=O)NCC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1	2
CCOC(=O)[C@H]1CCC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1	1
C[NH+](C)CCC[NH2+]C[C@@H](O)COCc1ccc2c(c1)OCO2	2
Nc1cccc(C[C@H]2C[NH2+]C[C@H]2NC[C@H]([NH3+])Cc2ccccc2)n1	2
CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1c(C)nn(C)c1C	2
C[NH+](C)Cc1cc(F)ccc1Sc1ccc(C(F)(F)F)cc1N	1
CNC(=O)NC[C@@H]1COCCN1S(=O)(=O)CCCN1CC[NH+](C)CC1	1
C[NH+]1CCN(c2c[nH]c(=O)[nH]c2=O)CC1	1
C[NH+]1CCN(CCNC(=O)c2ccc(C[NH3+])cc2)CC1	2
CCOCCN1CCN(C(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)CC1	1
COc1ccc2c3c1O[C@@H]1C(=O)CC[C@@H]4[C@@H](C2)[N@H+](C)CC[C@]314	1
[NH3+][C@H]1c2ccccc2C[C@@H]1NC(=O)c1cn(CCN2CC[NH2+]CC2)nn1	2
C[N@@H+](CCc1ccccn1)[C@@H]1CC(=O)N(c2ccccc2)C1=O	1
CCCc1cc(OC)c(C[C@@H]2c3cc(O)c(Cl)cc3CC[N@@H+]2C)cc1OC	1
Brc1ccsc1Cc1c[nH]cn1	0
CC1=C(N=NC(N)=[NH2+])CC[C@@]2(C)C1CC[C@@H]2CN=NC(N)=[NH2+]	2
CC(=NNC1=[NH+]CCN1)c1ccc(C)cc1	1
[NH3+]CCCC1OCC2(CO1)COC(CCC[NH3+])OC2	2
COc1cccc(NC(=O)C[NH+]2CCC(C[NH3+])CC2)c1	2
Cn1c[n+](C[C@@H](O)COC[C@@H]2CC=CCC2)c2ccccc21	1
C[NH+](C)CCNC(=O)c1cccc(Cl)c1	1
C[NH+]1CCN(C(=O)[C@@]23CC=CC[N@H+](Cc4ccccn4)[C@@H]2CCC3)CC1	2
CCC(=O)c1cc2c(C)cc(=O)oc2c(C)c1O	0
Cn1cnc2c(NC3CCCC3)ncnc21	0
Cc1csc(=Nc2ccc(Cl)cc2)n1C	0
O=C(c1ccncc1)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1	1
NC(=O)COC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1	0
COC(=O)CSc1ccc(C(=O)N2CCCCC2)cc1[N+](=O)[O-]	0
CCOc1cc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc(OCC)c1OCC	1
COc1cc2nc3c(c4c2c(c1OC)N(C(=O)CN1CC[NH+](C)CC1)CC4)Cc1cc(OCC[NH3+])ccc1-3	2
c1cnc2cc(NC3=[NH+]CCN3)ccc2n1	1
CC1(C)CC(NC(=O)c2ccc(-n3cnnn3)cc2)CC(C)(C)[NH2+]1	1
CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2NC(=O)C(=O)NC[C@@H]2CN(C)CCO2)C1	1
CCc1nc(C)nc(N2CCN(C(=O)C3CCCC3)CC2)c1Cc1ccc(Cl)cc1	0
CC[NH+]1CCN(c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c23)CC1	2
CC(C)[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2C[C@H]([NH3+])CN2C)CC1	2
NC(=O)C1CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1	1
CC[NH+](CC)CCSc1nnc(Nc2ccccc2)n1-c1ccccc1	1
O=c1oc2ccc(Cl)cc2n1Cc1ccccc1F	0
C[N@H+]1CCc2cc(O)c(O)cc2[C@@H]1Cc1ccc(O)c(O)c1	1
CN(C(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)C1CC1	2
CC1=C2CCc3ccccc3N2CCC1=O	0
CN(C[C@@H]1COCCO1)C(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1	2
COc1ccccc1-[n+]1c(-c2ccc(Br)cc2)cn2c1CCCCC2	1
C[NH+]1CCN(C[C@H](O)C[NH2+]CCS(=O)(=O)N2CCSCC2)CC1	2
c1ccc(N2CC[NH+](CCN3CC[NH2+]CC3)CC2)nc1	2
Cc1cccc(N2CC[NH+](CCN3CC[NH2+]CC3)CC2)c1	2
CN(C/C=C/C[N@@H+](C)CC(=O)NC1CC1)CC(=O)NC1CC1	1
COc1ccc(C(=O)N2CC[NH+](CCCc3ccccc3)CC2)cc1	1
O[C@@]1(c2ccccc2)CC(c2ccccc2)=NO1	0
CC[C@](C)(C[NH+](C)C)OC(=O)c1ccccc1	1
CC(C)C[NH+]1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1	1
COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)CC1=O	1
CN(C)c1cc(NC(=O)C[NH+]2CCCCC2)c2ccccc2n1	1
CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCC[N@@H+](C)CCOC)c1	1
COc1cc(O)cc(O)c1	0
CCN(CC)C(=O)CSc1nnc(-c2ccc(OC)cc2)n1N	0
C[C@@H]([NH3+])c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1	2
C[NH+](C)CCNC(=O)C(=O)NC[C@@H]1OCCCN1S(=O)(=O)c1ccc2c(c1)OCCO2	1
COc1ccc(S(=O)(=O)NCCC(=O)NCc2cc(=O)n(C)c(=O)n2C)cc1	0
CC(C)C[C@@H]1NC(=O)N(c2ccccc2)C1=O	0
CN(C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)[C@H]1C[C@@H](C(N)=O)C1	1
C[NH+](C)CCNc1nnc(NCC[NH+](C)C)c2cc3ccccc3cc12	2
CN(CC(=O)Nc1c(S(N)(=O)=O)cc(S(N)(=O)=O)c(Cl)c1Cl)C(N)=[NH2+]	1
Cc1ccc(C)c(OCCCC(C)(C)C(=O)O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)c1	-1
Nc1cccc(C(=[NH2+])NCCNC(=[NH2+])c2cccc(N)c2)c1	2
C[NH+](C)C[C@@H](CO)NC(=O)c1cc(C(=O)N[C@@H](CO)C[NH+](C)C)[nH]n1	2
Fc1ccc(N2CC[NH+](CCN3CC[NH2+]CC3)CC2)cc1	2
C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)CC1	2
Cc1cn([C@H]2O[C@@H](CO)C[C@H]2O)c(=O)[nH]c1=O	0
COc1cc(N[C@H](C)CCCNC(=[NH2+])NC(=[NH2+])NC(C)C)c2ncccc2c1	2
[NH3+]CC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1	2
COc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccc(Cl)cc4)c4ccccc34)C(=O)[N-]C2=S)c(OC)c1	-1
CC(C)[NH+]1CCC(N(C)CC(=O)N2CC[NH2+]CC2)CC1	2
C[N@H+]1CCN(C(=O)C2CC[NH2+]CC2)[C@@H](c2ccccc2)C1	2
C[NH+](C)CCC[NH2+]C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O	2
C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1ccc(C[NH3+])s1	2
O=C(C=C(S)c1ccccc1)c1ccccc1	0
Cn1nc(C(=O)N2CC[C@H]([NH+](C)C)C2)c2ccccc21	1
COc1ccc(OCC[NH2+]CCn2nc([C@@H]3CC[NH2+]C3)c3nccnc32)cc1	2
CC[N@H+]1CCN(C(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)[C@@H](C)C1	1
C[NH+]1CCN(c2ccccc2/C=C2/C(=O)Nc3ccccc32)CC1	1
COc1cccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1	0
COC(=O)CN(C)C(=O)CC[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1	2
C=CC[NH+](CC=C)C[C@H](O)Cn1cnc2c1c(=O)n(C)c(=O)n2C	1
Cc1ccc(NN=C(C#N)C(N)=S)cc1	0
CC(C)(C)NC(=O)C1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1	1
C[C@@H](CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)S(N)(=O)=O	1
C[NH+](C)CCN1CCN(C(=O)C(=O)NCC[NH3+])CC1	2
C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1nc(N)nc(N2CCOCC2)n1	2
COc1ccc(C(=O)ON=C2CC[NH+](C)CC2)cc1	1
COc1ccc(CSCC(=O)NC2C[C@@H]3CC[C@H](C2)[N@H+]3C)cc1	1
Nc1nnc(-c2ccc(Cl)cc2)s1	0
Cn1cc(C[NH2+]CC2CC[NH+](C)CC2)c(=O)n(C)c1=O	2
COc1ccc(/C=C/C(=O)Nc2ccccc2C(N)=O)cc1OC	0
Cn1cc(C(=O)NC2CC[NH+](C)CC2)c2ccccc21	1
CCOC(=O)C1=C(C)NC(=O)N(C(C)=O)[C@@H]1c1ccc2c(c1)OCO2	0
Cc1cc2ncn(C[C@@H](O)C[N@H+]3CCC[C@@H]3C(N)=O)c2cc1C	1
C[N@H+]1[C@H]2CC[C@@H]1CC(NC(=O)c1cccc(C(F)(F)F)c1)C2	1
O=c1cc(-c2ccccc2)nc(-c2ccccc2)o1	0
CN(C1CC[NH+](C)CC1)[C@@H]1CC(=O)N(c2ccccc2)C1=O	1
CS(=O)(=O)Nc1ccc([C@@H](O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1	2
COCC[NH+]1CCC(CNC(=O)[C@@H]2CCC(=O)N(CC[NH+](C)C)C2)CC1	2
O=C(Nc1ccc(C2=[NH+]CCCN2)cc1)c1ccc(C(=O)Nc2ccc(C3=[NH+]CCCN3)cc2)nc1	2
COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3)cc2)cc1Br	-1
C[NH+](C)CCN1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC1=O	2
COCC[NH+]1CCC[C@@]2(CC[N@H+](C3CCN(c4ccc5c(c4)OCO5)CC3)C2)C1	2
COc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)NCCc1n[nH]c(=O)[n-]1	-1
O=C1Cc2c(ccc3c(CCC4CC[NH+](Cc5ccccc5)CC4)noc23)N1	1
O=C1O[C@@](c2ccc(O)cc2)(c2ccc(O[C@@H]3O[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@H]3O)cc2)c2ccccc21	-1
O=C(NCCN1CC[NH2+]CC1)c1ccc(S(=O)(=O)N2CC(O)C2)cc1	1
C[NH+](C)C[C@@H](O)c1ccccc1I	1
COc1ccc(Nc2nc(N3CC[NH2+]CC3)nc3ccccc23)cc1	1
Cc1cccc2c1C(=O)N(C)[C@]21CC(=O)NC1=O	0
O=C(NCC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)[C@@H]1CCC[NH2+]1	2
Cc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1	0
Cc1cc(F)c(F)cc1C(=O)N1CCCC[C@@H]1C	0
COCC[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@H](C[NH3+])C1	2
COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+]	1
CC(C)[C@@H](C[NH+](C)C)NS(=O)(=O)N(C)CCC[NH3+]	2
C[NH+]1CCN(c2cc(CNC(=O)NC3CC[NH+](C4CC4)CC3)ccn2)CC1	2
CN(C)C(=O)C(C)(C)[NH2+]CC(=O)NCCCN(C)S(C)(=O)=O	1
C[NH+]1CCN(C[C@@H](O)C[NH2+]CCNS(=O)(=O)c2cccnc2)CC1	2
CNC(=O)C[NH+]1CCC(NC(=O)C2([NH3+])CCCC2)CC1	2
O=C(NC[C@H]1CCCO1)C1CC[NH+](Cc2ccc(F)cc2)CC1	1
O=C(N[C@@H](C(=O)c1ccccc1)n1ccc(=O)[nH]c1=O)c1ccccc1	0
COCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+]	2
C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NC[C@@H]3CC[N@H+](C)C3)c2)CC1	2
Cc1ccc(C)c(Oc2ccc(Cl)nn2)c1C	0
C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc2ccccc2oc1=O	0
C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC1	2
Clc1ccccc1N1CC[NH+](C2CCC(c3ccccc3)CC2)CC1	1
NC(=O)NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	2
COc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccccn1	0
C[NH+](C)CCNc1nc2[nH]nc(N)c2c2c1C[N@H+](C1CCCCC1)CC2	2
CC[C@@H]1CN(C(=O)c2coc(CN3CC[NH+](Cc4ccccc4)CC3)n2)CC[NH2+]1	2
C[N@@H+](CCN1CCN(C(=O)CNC(=O)C[NH3+])CC1)Cc1ccccc1	2
O=C(NCCC[NH+]1CCOCC1)[C@@H]1C[NH2+]C[C@H](C(=O)Nc2ccc3c(c2)CCC3)C1	2
Cc1ccccc1C(=O)Oc1ccc(Cl)cc1	0
CCCn1c(=O)c2nn(CC[NH+](C)C)nc2n(C[C@H](C)CC)c1=O	1
COc1cc2c(cc1O)CCN(C(=O)C[NH+]1CCCCC1)[C@@H]2C	1
CC[n+]1cc2cc(OC)c(OC)cc2c2c1-c1cc3c(cc1C2)OCO3	1
CCOC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)OCc1ccccc1	0
Cn1cnnc1CCNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](Cc1ccccc1)C2	2
O=CN1CCCc2ccccc21	0
CC[C@@H]1CN([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CC[N@H+]1C[C@@H](C)O	2
CCC[NH+]1CCC([NH2+]CCNS(=O)(=O)c2ccccc2)CC1	2
COc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Br)cc1OCC(=O)[O-]	-1
CN1C(=O)[C@@H]2[C@@H]([NH+]=C(NCC[NH3+])N2Cc2ccccc2)N(C)C1=O	2
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCS(=O)(=O)C1	2
COc1ccc(CN2CCC([N@H+]3CCC[C@@H](C)C3)CC2)c(OC)c1	1
COc1ccc(C[N@H+]2CCCN(C=O)CC2)cc1OC[C@@H](O)C[NH+]1CCCCC1	2
COC[C@@H]1CCC[NH+](Cc2c(C(=O)N3CCC[N@@H+](C)CC3)nc3sccn23)C1	2
CCS(=O)(=O)NCCS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C	2
CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH+]2CCOCC2)C1	2
NNc1nc(N)c2c([nH+]1)-c1ccccc1CC21CCCCC1	1
C[NH+](C)CC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@H+](Cc2ccccn2)C1	2
CCOC(=O)c1oc2ccccc2c1C[NH+]1CCC(C(N)=O)CC1	1
C[NH+](C)CCN(Cc1ccccc1)c1nc2ccccc2o1	1
CC(C)(C)NC(=O)CN1CCN(C(=O)CN(CC[NH3+])C[C@@H](O)CO)CC1	1
C[NH+](C)[C@@]1(CNC(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CCSC1	1
COc1cccnc1NC(=O)NC1C[C@@H]2CC[C@H](C1)[N@H+]2C	1
C[NH+](C)CCNC(=O)C[C@@H]1O[C@H](C[NH2+]Cc2ccccn2)[C@@H](O)[C@H]1O	2
CCOCCS(=O)(=O)NCC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1	1
O=CC(C=O)=C1C=[NH+]C=CN1	1
CS(=O)(=O)N1CCN(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])CC1	2
O=c1cc2ccccn2c2cccc(Cl)c12	0
CN(CC1CC[NH+](CCc2cccc(F)c2)CC1)C(=O)CCN1CC[NH+](C)CC1	2
COc1cc2c(cc1OC)C(=O)[C@@H](Cc1cc[n+](Cc3ccccc3)cc1)C2	1
C[C@@H](C1CC[NH+](Cc2ccnn2C)CC1)[NH+]1CCOCC1	2
CN(C)c1nccc(N(CC[NH+](C)C)Cc2ccccc2)c1C#N	1
C[NH+](C)C1(CNC(=O)[C@@H]2C[NH2+]CCO2)CCCCC1	2
COc1ccc2nc(N3CC[NH+](C)CC3)c(-c3nnc4c(N5CC[NH+](C)CC5)nc5ccccc5n34)cc2c1	2
COc1cc(C)c(Oc2cc(C)cc(O)c2O)c(O)c1	0
COc1ccc2sc3c(c2c1)NCCNC3=O	0
CC(=O)N1CCC([N@H+]2C[C@@H]3C[C@H](C2)c2ccc(NC(=O)C[NH+](C)C)c(=O)n2C3)CC1	2
NC(=[NH2+])c1ccc(-c2cc(-c3ccc(C(N)=[NH2+])cc3)on2)cc1	2
COc1ccc2[nH+]ccc(N3CC[C@@H]([NH2+]CCNS(=O)(=O)c4ccc5c(c4)NC(=O)CS5)C3)c2n1	2
Cc1ccccc1-n1c(=S)[nH]c2cnc3ccccc3c21	0
COc1ccc(Cc2c(N)nc(-c3ccccc3)[nH+]c2N)cc1	1
CC[N+](C)(CC)CCOC(=O)Cn1c(=O)c2ccccc2c(Cc2ccccc2)[n+]1C	2
O=C(CCN1C(=O)CCC1=O)OC[C@H]1CCC[N@H+]2CCCC[C@@H]12	1
NC(=[NH2+])c1ccc(-c2coc(-c3ccc(C(N)=[NH2+])cc3)c2)cc1	2
C[NH+](C)C[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CC[NH+](C)CC1	2
O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2c(O)ccc3ccccc23)C1	1
COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(C[NH2+]CCC(C)C)c1	2
C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(O)cc1O	2
CC1[C@H](C(=O)NCC[NH+]2CC[C@@H](O)C2)[C@H]1C(=O)NCC[N@H+]1CC[C@@H](O)C1	2
CC[NH+](CC)CCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1cccc(C)c1	2
Cc1cccc(C[N@H+]2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c1	1
CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)[C@@H](C)c2ccccc2)C1	2
C[NH+](C)CCCN(CC1CC[NH+](C2Cc3ccccc3C2)CC1)C(=O)CCn1cccn1	2
COc1cc(NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)ccn1	1
CN(C)c1ccc(/C=C/C[N@@H+](CCO)Cc2ccccc2)cc1	1
CCOC(=O)/C=C/C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC)NC(C)=O	0
C[NH+]1CCN(C(=O)CC[NH2+]Cc2ccc(S(N)(=O)=O)cc2F)CC1	2
C[NH+](C)CC(N)=O	1
Cc1cc2c(-c3ccccc3F)nc(N3CC[NH2+]CC3)nc2s1	1
CCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CC1	2
CCOC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CCNC(=O)[C@@H](O)C(C)(C)CO	0
CCC12CN3CC[NH+](CC(C3)/C1=N\N=C1/C3CN4CC[N@@H+](C3)CC1(CC)C4)C2	2
Cc1[nH+]ccn1-c1ncccc1CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1	2
Cc1c[nH+]ccc1NCCNC(=O)c1cn(CCN2CC[NH2+]CC2)nn1	2
O=C1NCC[N@@H+](C2CCCC2)[C@@H]1CC(=O)N1CCN(c2cc[nH+]cc2)CC1	2
Cc1ccc2c(c1)O[C@H]1[C@H](NC(=O)CCN3CC[NH+](C)CC3)C(=O)CC[C@@]21C	1
N#Cc1c(NC(=O)C[NH+]2CCCCCC2)sc2c1CCCC2	1
C[C@]([NH3+])(C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccccc1	2
C[n+]1ccnc(N)c1	1
C=CCNC(=O)O[C@@H]1CC(C(=O)N[C@H](CC(N)=O)C(N)=O)=C[C@@H](NC(=O)[C@H](C)[NH2+]C)[C@H]1O	1
CC(C)[C@@H](NC(=O)C1CCC(CNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1)C(=O)[O-]	-1
CCCc1c(O)n2c3cc(C)ccc3nc(N(C)C)n2c1=O	0
NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCOCC[NH+]1CCC[C@@H]1CS(N)(=O)=O	2
CC(C)([NH3+])c1noc(CN2CC[NH+](CC3CC3)CC2)n1	2
C[NH+](C)[C@@]1(CNC(=O)C(=O)NCCCN2CCCS2(=O)=O)CCSC1	1
C[NH2+]CCN1C(=O)CC[C@H]2CN(C(=O)C3([NH3+])CC3)CC[C@H]21	2
COc1cc2c(cc1OC)-c1cc(N3CC[NH2+]CC3)nc(=O)n1CC2	1
Cn1c(NC(=O)CNC(N)=[NH2+])ccc1C(=O)NCCC(N)=[NH2+]	2
CC[NH+](CC)CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1	2
C[NH+](C)CCC1CC[NH+](CC(=O)NCC(C)(C)N2CCOCC2)CC1	2
CC(=O)c1cc(C2CCCCC2)ccc1OC[C@@H](O)C[NH2+]C(C)(C)C	1
CN1C(=O)CC2(CC[NH+](CCCC(=O)c3ccc(F)cc3)CC2)C1=O	1
C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1c[nH]cn1	2
CCOc1cc([C@@H]2C(C(C)=O)=C(O)C(=O)N2C[C@@H](C)O)ccc1O	0
COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1	2
C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)Nc1ccc2ccccc2c1	2
C[NH+](C)CCSc1nc2ccccc2c(=O)n1-c1ccccc1	1
C=C(C)C[NH+]1CCN(c2ncnc3scc(-c4ccc(Cl)cc4)c23)CC1	1
CN(C(=O)CN)[C@@H]1CCC[N@@H+](C)C1	1
Cc1cc(C)cc(N2C(=[NH2+])NC(=[NH2+])N[C@@H]2c2cccc(Cl)c2)c1	2
O=C(NCCC[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1	2
O[C@@H]1COCC[C@@H]1Nc1cc(C2CC2)[nH+]c(N[C@@H]2CCOC[C@@H]2O)n1	1
COc1ccc2[nH]cc(C(=O)C[N@H+]3CCCC[C@@H]3CCO)c2c1	1
CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1	1
CNC(=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1C(=O)NC	0
COC(=O)c1cccn1-c1ccc(Cl)cc1	0
C[NH+]1CCN(CCN(CCC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2cccc(F)c2)CC1	2
CC(C)(C)NC(=O)c1ccc(F)cc1F	0
Cc1cc(C)c2cc(C(=O)NCC[NH+]3CCCCC3)[nH]c2c1	1
COc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12	-1
C[C@@H](O)[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)[C@@H](C)O	1
CC1CC[NH+](CC(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)CC1	1
CCCn1nnc(NC(=S)NC(=O)COc2ccc(CC)cc2)n1	0
Cc1ccccc1OCC(=O)NN1CC[NH+](C)CC1	1
CC(C)OCCS(=O)(=O)NCC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1	1
CN1c2ccccc2Oc2nnc(N3CC[NH+](C)CC3)cc21	1
CN(CCCN(C)C(=O)C(=O)N1CCO[C@@H](CC(N)=O)C1)CC[NH+](C)C	1
C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCc1nc(-c2nc[nH]n2)no1	2
C[NH+](C)CCNC(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(-c2ccccc2)on1	2
CC(CC[NH+]1CCN(C(=O)CO)CC1)CC[NH+]1CCN(C(=O)CO)CC1	2
COCCOCCN1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1	1
C=CCNC(=O)NC(=O)CN1CC[NH+](C[C@@H](O)COCC)CC1	1
O[C@H](CN1CCOCC1)C[N@H+]1CCC[C@@H](CN2CCOCC2)C1	1
c1ccc2c(c1)CCCN2Cc1cn2ccccc2n1	0
c1cc2c(cc1CC[NH2+]C1C3CC4CC(C3)CC1C4)OCO2	1
CC[NH+]1CCC(C[NH3+])(N2CCN(c3nccs3)CC2)CC1	2
CC(C)(C(N)=O)N1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC1	1
COc1cccc(C[NH2+]Cc2ccc(OC)c3ccccc23)c1OC	1
CC[NH+](CC)CCNC(=S)N1CC[NH+](CCc2ccncc2)CC1	2
C[NH+](C)C1CCN(CCNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1	1
NS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@@H](O)COC[C@@H]1CCCO1	1
CC[N@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1	2
CN(CC[NH+](C)C)C[C@@H]1C[N@H+](C2CCN(C(=O)c3ccccc3)CC2)C[C@@H]1CO	2
OC[C@@H](O)CN=Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1	0
CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CC2)C1	2
CC(C)[NH+]1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)CC1	2
CCc1cc2c(s1)N(C)C(=O)CN=C2c1ccccc1Cl	0
CCC[NH+]1CCC(N2CCC(O)CC2)CC1	1
O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1	2
CC[C@@H](C)[C@H](C(=O)OC)[C@H](O)C(=O)N[C@@H]1C[C@@H]1C[C@H](NC(=O)[C@@H](C)[NH3+])C(=O)[O-]	0
C[NH+](C)CCOCCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	2
O=C(Nc1ccccc1)c1ccc[n+](Cc2ccc([N+](=O)[O-])cc2)c1	1
C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC1CN(S(=O)(=O)N(C)C)C1	1
O=C(CCc1nc2ccccc2s1)NO	0
C[NH+](C)CCNC(=O)NC1(C(F)(F)F)Oc2ccccc2O1	1
COc1cc(C)c(/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)cc1C(C)C	0
CC(=O)Nc1cccc2c1C(=O)N(c1ccc(OC(C)=O)cc1)C2=O	0
CC[NH+](CC)CCn1c2ccccc2n2c(C(C)=O)c(-c3cc(C)ccc3C)nc12	1
C[C@@H](O)C[NH+](C)C	1
CC[NH+]1CCN(CC(=O)NCCC[N@H+]2CCC[C@@H](O)C2)CC1	2
CC(C)CNC(=O)c1ccccc1F	0
COCc1cc(C)nc(OCC(=O)N/N=C/c2ccncc2)c1C#N	0
C[NH+](C)CCC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1	2
O=C(NCC(=O)N1CC[NH2+]CC1)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1	2
CCNC(=O)C(C)(C)CNC(=O)C(=O)N(C)CCN1CCCS1(=O)=O	0
C[NH+]1CCN(C[C@@H](O)C[NH2+]CCN2CCN(c3ncccn3)CC2)CC1	2
Cc1noc(CN2CC[NH+](CCN3CC[NH2+]CC3)CC2)n1	2
Cc1ncsc1[C@H](O)c1ccco1	0
C[NH+](C)CC[C@@H](N)C(=O)NCCS(=O)(=O)NCC1CCC1	1
C[N@H+]1CCC[C@@H]1CCNS(=O)(=O)c1ccc(Br)cc1	1
CCN(C(=O)C[N+]12CC[N+](CC(=O)N(CC)C3CCCCC3)(CC1)CC2)C1CCCCC1	2
O=C(OCC[NH+]1CCCCCC1)[C@@H](c1ccsc1)C1CCCCC1	1
CCN(C(=O)CNC(=O)C[NH3+])[C@@H]1C[C@@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21	1
CNC(=O)COc1ccccc1OC[C@H](O)C[NH2+]C(C)(C)C	1
CC(C)NS(=O)(=O)NCCNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1	1
C[C@@H]([NH3+])CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1	1
COc1c2c(cc3c1[C@@H](c1ccc(O)cc1O)[N@H+](C)CC3)OCO2	1
COc1cccc(CN2CCN(C(=O)[C@@H]3[C@H]4C=C[C@H](O4)[C@@H]3C(=O)[O-])CC2)c1	-1
Cc1ccc(NCCCNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C)C3)nc1	2
C[C@H](CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C[NH+]1CCCCC1	2
O=C(Nc1ccccc1OCC(F)(F)C(F)F)c1cccc(F)c1	0
O=C(NCC[NH+]1CCCCC1)Nc1cccc2ccccc12	1
CC[N@@H+](CCNC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)C1CC1	2
O=C(NC1CC1)C1CC[NH+](C2CCN(Cc3ccc4ccccc4n3)CC2)CC1	1
Cc1ccc([C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1	0
CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1	1
CN(C(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C1CC[NH+](C)CC1	2
C[NH+]1CCN(c2ncccc2CNC2=[NH+]CCN2)CC1	2
O=C(Nc1ccc(CC2=[NH+]CCN2)cc1)c1ccc(C(=O)Nc2ccc(CC3=[NH+]CCN3)cc2)cc1	2
CON(C)C(=O)/C=C1\CCc2ccc(F)cc21	0
Cn1cc(NC(=O)C[N@H+]2CCC[C@@](O)(C[NH+](C)C)CC2)cn1	2
NS(=O)(=O)c1cc(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)ccn1	1
COc1ccc(-c2cn3c4ccccc4nc3n2CC[NH2+]C(C)C)cc1	1
C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-n4cccn4)cc3)C[C@H]2O)CC1	2
CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C	2
C[NH+]1CCN(C[C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3CNC(=S)NCc2ccco2)CC1	2
COCC[N@H+]1CCC[C@@H]1CNC(=O)CCn1cc(S(N)(=O)=O)cn1	1
C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1	1
NC(=[NH2+])NC(=[NH2+])Nc1ccc(S(N)(=O)=O)cc1	2
CS(=O)(=O)N1CCN(CCNC(=O)NC2CC[NH+](CCO)CC2)CC1	1
Cc1c(C#N)c2ccccc2n1CC(=O)NC[C@@H]1CCCO1	0
Cc1c(C#N)c2ccccc2n1CC(=O)NCc1ccco1	0
O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F	2
CC(=O)Nc1sc2c(c1C#N)CCC2	0
COc1ccc(CCNC(=O)Cn2cnc([N+](=O)[O-])n2)cc1OC	0
CC(C)(C)c1ccc(CC[C@@H]2OC[C@@H](C[N+]3(C)CCOCC3)O2)cc1	1
NC(=O)C[NH+](C/C=C/C[N@H+](CC(N)=O)C1CCCC1)C1CCCC1	2
CN(CC1C[NH+](C)C1)C(=O)[C@@H]1CC[C@H](C(=O)N(C)CC2C[NH+](C)C2)O1	2
CSc1nc2c(cc1C#N)CCC2	0
C[C@@H](C[NH+]1CCCCC1)OC(=O)[C@@H]1COc2ccccc2O1	1
CC(C)NS(=O)(=O)NCCNC(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O	0
O=C(C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1)N1CCC[C@@H](CO)C1	2
CN1CCN(c2oc(Cc3cccc4ccccc34)nc2C#N)CC1	0
COc1cccc2ccc(C[N@H+]3CCN(C4CC[NH+](C(C)C)CC4)[C@@H](CCO)C3)nc12	2
CSCC[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1	1
CC(C)(C)c1ccc(C(N)=O)cc1	0
CC(C)[NH+](CCCNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)C(C)C	2
CN(CCOCC[NH3+])C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1	1
CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1NC[C@@H](C)O	1
CN(C)C(N(C)C)=[N+](C)C	1
Nc1cc(N)[nH+]c(SCC(=O)N2CCCc3ccccc32)n1	1
Nc1nc(N2CC[NH+](C/C=C/c3ccccc3)CC2)nc2ccccc12	1
C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1	2
c1cc(CN2CCC[NH2+]CCNCCC[NH2+]CC2)ccn1	2
COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CN1CCOCC1=O	1
CC(=O)CS(=O)(=O)c1ccc(Cl)cc1	0
COc1ccc(C[NH2+]Cc2cc(Br)ccc2OC)cc1	1
O=c1c2ncn(CC[NH+]3CCCCC3)c2ncn1CN1CCCCC1	1
N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1ccccc1	0
Cc1cc(Br)c([O-])c(/C=N/c2ccc3oc(-c4ccnc(Br)c4)nc3c2)c1	-1
C[C@@H]1CC2(CC[NH2+]CC2)CN1C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1	2
C[NH+](C)CCCN1CN(N2CC[NH+](C)CC2)c2nc3ccccc3n2C1	2
C[NH+](C)CCn1c(Cn2nnc3ccccc32)nc2ccccc21	1
Cc1cccc(N2CC[NH+](CCCNC(=O)CCc3nc(C4=CC[N@@H+](C)CC4)no3)C[C@@H]2C)c1	2
CN(C)S(=O)(=O)NCC(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1	1
O=C1c2cc(S(=O)(=O)[N-]c3ccccc3)ccc2-c2ccc(S(=O)(=O)Nc3ccccc3)cc21	-1
CCC[NH+]1CCN([C@H]2CC3(CC[C@@H]2[NH3+])OCCO3)CC1	2
CCS(=O)(=O)NCCNc1nc(NCCNS(=O)(=O)CC)c(C)c[nH+]1	1
CCOc1cc(/C=C2\C(=O)[N-]N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCc1cccs1	-1
C/C(=N\N[C@H](C)CS(=O)(=O)C[C@@H]1C[N+](C)(C)C[C@@H]1CS(=O)(=O)[O-])C(=O)[O-]	-1
Cc1c(CC(=O)N[C@H](CCCNC(N)=O)C(=O)[O-])c(=O)oc2cc(O)ccc12	-1
Cc1[nH]c2ncnc(NCc3ccccc3)c2c1C	0
CC[NH+]1CCC(CC(=O)NCCn2cc[nH+]c2C)CC1	2
Cn1cnc2c1c(=O)n(CCC[N@@H+](C)CC(C)(C)[NH3+])c(=O)n2C	2
Cc1nc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c2c(C)c(C)sc2n1	1
CC(C)CC[N@H+]1CCNC(=O)[C@H]1CC(=O)N(C)CC[NH+]1CCCC1	2
CC[NH+]1CCN(CCNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)CC1	1
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@](O)(CC(N)=O)C1	2
O=C(/C=C/c1ccccc1)Oc1cccnc1	0
COc1cc(C[NH2+]CC2CC[NH+](C)CC2)ccc1OC[C@@H](O)CN1CCSCC1	2
CCOc1ccc2[nH+]c(C)cc(Nc3ccc(OC)cc3)c2c1	1
CC(=O)c1ccc(N2CC[NH+](CCC3=C(C)CCCC3(C)C)CC2)cc1	1
Cc1cc(C)n(CCNC(=O)[C@@H]2CC3(CC[NH2+]CC3)C[N@@H+]2C)c(=O)n1	2
O=C(Nc1c2c([nH+]c3c1CCC3)CCCC2)C(c1ccccc1)c1ccccc1	1
COc1ccc2c(c1)c(=O)oc1c(C)c(OCC(=O)N(C)C)ccc12	0
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCC[NH2+]C1CC1	2
CC(C)NS(=O)(=O)NCCNC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1	0
COc1cc(N2C(=O)C=C(c3ccccc3)C2=O)cc(OC)c1OC	0
CC[NH+]1CCN([C@@H](C)CNc2nc(NCCO)[nH+]c(NC(C)C)n2)CC1	2
C[N@H+]1[C@H]2CC[C@@H]1CC(NC(=O)Nc1ccc(Br)cc1)C2	1
COc1ccc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)cc1C	0
Nc1[nH+]c2ccccc2n1CCN1CCOCC1	1
COCC[N@@H+](C)CCCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1	2
C[C@@H](CNS(=O)(=O)C[C@@H]1C[NH2+]CCO1)[N@@H+](C)C1CC1	2
Cc1cc2c(cc1S(=O)(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-])NC(=O)CO2	-1
O=C(C1CC[NH2+]CC1)N1CCN(c2cccc3[nH]ccc23)CC1	1
CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1	2
COC(=O)[C@@H]1C[C@@H](O)CN([C@@H](C)CC[N@H+]2C[C@@H](O)C[C@@H](C(=O)OC)C2)C1	1
Cn1c(NC2CC[NH+](Cc3ccccc3)CC2)cc(=O)n(C)c1=O	1
C=CCn1c(SCC(=O)NC2CCCC2)nnc1-c1cccnc1	0
C[NH+]1CCCN(C(=O)C2CCC(C(=O)N3CCC[N@H+](C)CC3)CC2)CC1	2
CS(=O)(=O)N1CCN(CCNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1	1
C[N@H+]1CCCC[C@@H]1C(C)(C)OC(=O)C(c1ccccc1)c1ccccc1	1
O=C(NCCC[NH+]1CCC([NH+]2CCCCC2)CC1)c1cccn1-c1nnc(N2CCCC2)s1	2
C[C@H]1C[N@@H+](C)[C@H](C)C[C@@]1(O)CC(O)(c1ccccc1)c1ccccc1	1
C[NH+]1CCN([C@@H](C[NH3+])c2cnn(-c3ccccc3)c2)CC1	2
C[C@@](O)(CNC(=O)CN1CCN(S(C)(=O)=O)CC1)C[NH+]1CCOCC1	1
NC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1	-1
COc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(C)CC1	1
O=C([O-])CCCC(=O)N[C@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccco4)n3)CO[C@H]12	-1
CN(C)S(=O)(=O)NCCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1	0
CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1	2
CC[C@@H](C(=O)Nc1nnc(C)s1)c1ccccc1	0
C[NH+](C)CCOC1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC1	2
CC[NH+](CC)CCNS(=O)(=O)CC1CC[NH2+]CC1	2
O=c1cc(Nc2ccc([NH+]3CCCCCC3)cc2)[nH]c(=O)[nH]1	1
COc1ccc(C(=O)Nc2ccncc2)c2cccnc12	0
COCCCS(=O)(=O)NCC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1	1
O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	-1
C[NH+]1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	2
NC(=O)C1CC[NH+]([C@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2=O)CC1	1
CCC[C@@](C)([NH3+])C(=O)NC[C@@H](C(C)C)N1CCN(C)CC1	1
COCC[NH2+]CCNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1	2
O=C(C[NH+](CCO)C1CC1)N1CCN(C(=O)C[N@H+](CCO)C2CC2)CC1	2
CNS(=O)(=O)NC1CCN(C(=O)[C@@H]2C[C@H](OC)C[N@H+]2C)CC1	1
COc1ccc(C[NH+]2CCC(C(=O)NCCC(C)C)CC2)cc1OC	1
CN(C)c1ccc(/C=[NH+]/N2CCN(c3ccccc3)CC2)cc1	1
CCCCS(=O)(=O)N=C1NCN(CCOS(=O)(=O)NC(C)C)CN1	0
COc1ccc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1OC	-1
CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NCCN1CCCS1(=O)=O	0
C[NH+](C)C[C@@H](O)COc1ccccc1CCc1ccccc1	1
Cc1c(NC(=O)CSc2n[nH]c(=O)[n-]c2=O)c(=O)n(-c2ccccc2)n1C	-1
CC(=O)N1CCC(NC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@@H+](Cc2ccccc2)C3)CC1	2
C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCN(S(C)(=O)=O)CC1	2
COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1csc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c1	-1
CC(=O)NNC(=O)c1ccccc1N	0
CN1CC[NH+](C[C@@]2(O)CCCN(C(=O)CN3CC[NH+](CCO)CC3)CC2)CC1	2
NC(=O)C1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CC(=O)[O-])C2=O)CC1	-1
O=C(c1nc2ccccn2c1C[NH2+]CCCC[NH+]1CCCCCC1)N1CCOCC1	2
CS(=O)(=O)N1CCN(S(=O)(=O)N2CCC(OCCC[NH3+])CC2)CC1	1
C[NH+](C)CC[C@H](N)C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1	2
C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	2
CCn1c(N)[n+](CC(=O)c2ccc(C)cc2)c2ccccc21	1
C[NH+](C)CCCNC(=O)[C@@H]1CCCN1C1CC[NH2+]CC1	2
[NH3+]C[C@H](O)C(=O)NC[C@H]([NH3+])[C@@H](O)c1ccc([N+](=O)[O-])cc1	2
COc1ccc(N2C(=O)C[C@H]([NH2+]C3CCN(c4cc(C)[nH+]c(C)n4)CC3)C2=O)cc1	2
COC1=CC2=C(NC3CC[NH+](Cc4ccccc4)CC3)NC(N3CCCN(C)CC3)=[NH+][C@@H]2C=C1OC	2
COc1cccc(OC)c1OC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1	1
CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@](C)(CC[N+](C)(C)C)O2	1
COc1nn(C)cc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C	2
COc1ccc(C[C@H]2[NH2+]C[C@H](O)[C@H]2OC(C)=O)cc1	1
C[N+]1=C2C=C(N)C(=O)c3[nH]cc(c32)CC1	1
C[N@H+](CC(=O)N1CC[NH2+]CC1)C[C@@H](O)c1ccccc1	2
C[NH+](C)Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1	1
CC(C)CCNC(=O)C1CC[NH+](Cc2ccccc2O)CC1	1
C[NH+]1CCC([N@H+]2CC[C@@]3(CCCN(CCCc4ccccc4)C3=O)C2)CC1	2
CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)COc2ccccc2)CC1	1
[NH3+]CCNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)c1	2
CC(=O)ON1C(=O)c2cccc3c(Br)ccc(c23)C1=O	0
CC(C)[N@H+]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccnc3)[C@H]2C1	1
CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H](C)C[NH+]2CCCCC2)C1	2
CC[C@H]1CN(C(=O)c2ccc(N(C)CCn3cc[nH+]c3C)nc2)CC[N@H+]1C(C)C	2
O=C1NCCN1CC[NH+]1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1	1
CC(C)[NH+](CCNC(=O)CN1CC[NH2+]CC1)C(C)C	2
CS(=O)(=O)N1CCN(S(=O)(=O)NCC2CC[NH+](CCO)CC2)CC1	1
CN(CCN1CCCS1(=O)=O)C(=O)C(=O)NCCOCC[NH+](C)C	1
C[NH+](C)CCN1C[C@H](C(=O)N2C[C@@H]3[C@H](C2)C[N@H+]2CCCC[C@H]32)CC1=O	2
N#Cc1[nH]nc2nc(N3CC[NH2+]CC3)ccc12	1
COC(=O)C1[C@@H](c2c[nH]c3ccccc23)[C@@H](C(=O)OC)O[N+]1=O	1
CCN1CCC([NH2+]C[C@@H]2CCCO2)CC1	1
CN1CCC([N@@H+](C)C2CCN(Cc3ccccc3)CC2)CC1	1
C[N@@H+](CCCOCC(F)(F)F)CC(=O)N1CC[NH2+]CC1	2
CSc1nc(N)nn1-c1ccccc1	0
CC(=O)NCCN(C)C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1	0
CC[NH+](CC)CC(=O)Nc1ccc(C(C)=NNC2=[NH+]CCN2)cc1	2
O=C(NC[C@H](O)C[NH+]1CCCCC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1	2
CC[C@@H]1C[N+]2(C)CCc3cc(OC)c(OC)cc3[C@@H]2CC1=O	1
O=C(CCn1c(=O)oc2ccccc21)NCC[NH+]1CCCCC1	1
C1CC[C@@H]([C@@]23C[C@@H](C[C@H]4CCC[NH2+][C@H]42)[C@@H]2CCCCN2C3)[NH2+]C1	2
Cc1cccc(C)c1N(CC(=O)NC1CCCC1)S(C)(=O)=O	0
CN1CCN(C(=O)c2ccccc2NC(=O)c2ccc(F)cc2)CC1	0
[NH3+]CCCC[C@@H]1NC(=O)[C@H]2C[N@@H+](Cc3ccc4ncccc4c3)CCN2C1=O	2
COCCNC(=O)CNC(=O)CCc1c(C)nc(N2CCOCC2)[nH]c1=O	0
C[N+]1(c2ccccc2)CCC(N)=N1	1
CCO[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C[C@H]1C[NH3+]	2
COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1	1
C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cn4ccccc4n3)C2)CC1	2
C[NH+](C)CCN1CCN(C(=O)C(=O)Nc2cccc(C(N)=O)n2)CC1=O	1
O=C(OC1CCCCC1)[C@H]1O[C@@H]1C(=O)OC1CCCCC1	0
COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1	2
O=[N+]([O-])/C=C/c1ccc(-c2ccc(Br)cc2)o1	0
CC(C)(C)OC(=O)CN1CC[NH2+]CCNCC[NH2+]CC1	2
COc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1	1
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)C1	2
C[NH+]1CCN(c2ccc(CN3CCS(=O)(=O)CC3)cc2)CC1	1
CCS(=O)(=O)NCCNC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1	0
Cc1cc(N2CCOCC2)ccc1C[N@@H+]1CCc2nnc([C@H]3CCC[NH2+]3)n2CC1	2
C[NH+](C)CCC(=O)c1ccc2c(c1)CCC2	1
O=C(C[NH+]1CCCCC1)NCCNC(=O)C[NH+]1CCCCC1	2
CC(=O)Oc1ccc2occ(C(=O)c3cc4ccccc4o3)c2c1	0
[NH3+]CCCNc1c2ccccc2[nH+]c2cccc([N+](=O)[O-])c12	2
C[C@H](C(=O)NCCC(=O)N1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1)[NH+](C)C	2
O=C(NCCc1c[nH]c(=O)[nH]c1=O)[C@@H]1CC2(CC[NH2+]CC2)C[NH2+]1	2
CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc1	1
COc1cc(CCNC(=O)C23C[NH2+]CC2C[NH2+]C3)cc(OC)c1	2
CNS(=O)(=O)c1ccc(N2CC[NH2+][C@@H](C(N)=O)C2)c([N+](=O)[O-])c1	1
CCOC(=O)[C@@]1(Cc2cc([C@@H]3CCC[NH2+]C3)no2)CCC[N@@H+](C)C1	2
Nc1nc(N)c2c([nH+]1)CC[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)C2	-1
CC(=O)Oc1c(C)cc(OC[C@H](O)C[NH2+]C(C)C)c(C)c1C	1
Cc1nc2c(=O)n(C)c(=O)n(C[C@H]3CC=CCC3)c2[nH]1	0
CC[NH+](CC)CCNC(=O)c1cnc(N2CC[NH+](CC)CC2)nc1C	2
Cc1ccn2ncc(C(=O)NC3C[C@@H]4CC[C@H](C3)[N@H+]4C)c2c1	1
COCC[NH2+]CCNC(=O)C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1	1
COc1cc(C[NH2+]CCNC(=O)c2nonc2N)ccc1OCC(N)=O	1
CCCc1cc(=O)[n-]c(SCC(=O)N(C)CC(=O)N2CCOCC2)n1	-1
Cn1cc(S(=O)(=O)NCC[NH+]2CCC(O)CC2)cc1C(N)=O	1
C[NH2+]Cc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1	2
CC(C)C[C@H](C[NH3+])CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1	2
O=C([O-])/C=C/C(=O)N(CCS(=O)(=O)N1CCOCC1)Cc1ccccn1	-1
CC[NH+]1CCN(Cc2nc(-c3c(C)ncc4c3CC[NH2+]C4)no2)CC1	2
O=C1CC[C@@H]([NH2+]Cc2ccc(O)c(C[NH+]3CCOCC3)c2)[C@H](c2ccccc2F)N1	2
O=C(COc1ccc(Cl)cc1)N1C[C@@H](c2ccccc2)CC1=O	0
C[C@@H](O)CN1CCN(C(=O)C(=O)NCC[NH2+]C2CC2)C[C@H]1C	1
[NH3+][C@@H]1C[C@@H]2CN(C(=O)C(=O)NCCOCC(F)F)CCN2C1=O	1
CC1(C)CC(NC(=O)c2cncc(Br)c2)CC(C)(C)[NH2+]1	1
CCOc1ccc(/C=C2/N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1	0
CC(C)(C)[NH2+]C[C@@H](O)c1ccc(O)c(NC(N)=O)c1	1
CC(C)(C)[NH2+]C[C@@H](O)COc1cccc2c1CCC(=O)N2	1
[NH3+]C[C@@]1(O)CC[NH2+]C1	2
CCOC(=O)N1CCC([NH2+]C2C3CC4CC(C3)CC2C4)CC1	1
C[C@@H](CNC(=O)N[C@@H]1CCC[N@@H+](C)C1)CN1CC[NH+](C)CC1	2
O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccc(Cl)c1	0
C[n+]1ccc([C@@H](O)[NH2+]CCC[N+](C)(C)C)cc1/C=N/[O-]	2
CN1CCC[C@@H](NC(=O)C(=O)NCC(C)(C)N2CCOCC2)C1	0
COc1ccc(-[n+]2c(-c3ccc(Cl)cc3)cn3c2S[C@@H](C)C3)cc1	1
O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)CN1CCOCC1	2
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])[C@@H](C)O)C(=O)[O-]	1
O=C(c1ccco1)N1CCc2ccccc2C1	0
C[NH+](C)CCN1C(=O)C[C@@](CC(=O)N2CC[NH+](C3CCCC3)CC2)(c2ccccc2F)C1=O	2
CC(=O)c1nnn(-c2ccccc2)c1Nc1ccccc1	0
CC[NH+]1CCN(Cc2ccc(OC[C@@H](O)CN3CC[NH+](CC)CC3)c(OC)c2)CC1	2
CC[C@]1(C)C[C@@H]([C@@H](O)C[NH2+]Cc2ccc(OC)c(OC)c2)CCO1	1
CC[C@@H]1CN(C(=O)[C@@]2(N)CC[N@@H+](C)C2)CC[C@@H]1[NH3+]	2
CN1C[C@@H](CC[N@@H+]2CC=C(c3ccccc3)CC2)OC1=O	1
CC(C)OCC[NH+]1CCC(NC(=O)c2cn(CC[NH3+])nn2)CC1	2
CC[NH+]1CCN(c2ccc(NC(=O)C[NH+]3CCC(O)CC3)cc2)CC1	2
C1CC[NH+](C[C@@H]2COC3(CCCC3)O2)C1	1
CC(C)[NH+](CCOC(=O)N1CC[NH+](C)CC1)C(C)C	2
CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1NCC[NH+](C)C	1
Brc1cccc[n+]1CCCC[n+]1ccccc1Br	2
C[N+](C)(CCO)CC(=O)c1ccc(-c2ccc(C(=O)C[N+](C)(C)CCO)cc2)cc1	2
Nc1cc(N)[nH+]c(SCC(=O)Nc2cccc3ccccc23)n1	1
CC1(C)CCC[NH2+][C@@H]1CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1	2
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1	2
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)c(C)c1	-1
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC1(O)CC[NH+](C)CC1	2
CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)NC[C@@H]2CC[C@@H](C[NH3+])CC2)nn1	2
CC(C)(C)[C@H]([NH3+])Cn1ccnc1	1
CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N1C[C@H]2C(=O)NC(=O)[C@H]2C1	1
CCN(CC)S(=O)(=O)N1CCC(C(=O)NCc2ccco2)CC1	0
CN1CC[NH+](CCCNC(=O)CCC2CC[NH2+]CC2)CC1	2
CCN1c2ccccc2N[C@@H]1SCC(=O)Nc1ccc(Cl)cc1	0
CCOC(=O)c1ccc(C[NH2+]Cc2ccc(Br)cc2)cc1	1
CN1C[C@@H](N(C)C(=O)C[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)NC1=NC(N)=O	2
Cc1ccccc1OC[C@@H]1CN(C[NH+]2CCCCC2)C(=O)O1	1
Cn1ccnc1S[C@@H]1C[C@@H](C(=O)N2CCC[N@@H+](C)CC2)[NH+](CC2CCCCC2)C1	2
C[N@@H+]1[C@@H](CCC(=O)N2CC[C@@H](O)C2)CNC(=O)[C@@H]2[C@H]1CCN2Cc1csnn1	1
C[NH2+]C[C@@H](C)CNC(=O)C(C)(C)N1CC[NH2+]CC1	2
CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CC[NH2+]CC1	1
C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)CC1	2
C[N@@H+](Cc1ccccc1)Cc1c([O-])ccc2c3c(c(=O)oc12)CCC3	0
CCOC[C@@H](O)C[NH+]1CCN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC1	1
COc1ccc(NC(=S)N2CCC([N@@H+](C)C(C)C)CC2)cc1	1
Cc1ncsc1-c1cc(C[NH+]2CCC(NC(=O)C3CC[NH+](C(C)C)CC3)CC2)n(C)n1	2
NS(=O)(=O)c1ccc(NC(=O)C[NH2+]C2CCCCC2)cc1	1
C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCC[NH3+])NC(=O)CNC(=O)C[NH3+])C(=O)[O-]	1
Nc1[nH]c2cc3c(cc2[nH+]1)N(Cc1ccc(S(=O)(=O)c2ccccc2)cc1)CCC3	1
CC1(C)CN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC[N@H+]1CCO	2
CC(C)(C)c1cc(CCC(=O)N2CC[NH2+]CC2)c(C(C)(C)C)cc1O	1
COc1ccc(NC(=O)Cc2cccs2)c(OC)c1	0
CC(C)C[C@@H]([NH3+])[C@@H](O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O	1
CN1[C@@H](CCC(=O)N2CC[NH+](C)CC2)CNC(=O)[C@H]2[NH2+]CC[C@H]21	2
COC(=O)c1cn([C@@H]2CC[N@@H+](CCNS(C)(=O)=O)C2)nn1	1
Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N2C[C@H](O)[C@@H](O)C2)cc[nH+]1	1
Cn1cc(S(=O)(=O)NCC[N@@H+](C)C[C@@H](O)CN2CCOCC2)cn1	1
O=C(OC/C(=N\O)c1ccccc1)c1ccc(Br)cc1	0
C[NH+](C)CCN1C[C@@H](C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)CC1=O	2
C[C@@H]([NH2+]C1CCN(S(C)(=O)=O)CC1)C1CC[NH+](C)CC1	2
O=C(CSc1nc2ccccc2[nH]1)c1ccc(O)c(O)c1	0
CC[NH+](CC)CCN(C(=O)COC1(C)C[NH2+]C1)[C@@H]1CCS(=O)(=O)C1	2
COc1ccc(NC(=O)CSc2nc3ccccc3o2)cc1	0
C[NH+](C)C[C@@H](CO)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1	2
CC[C@@H](C)[NH+]1CCN(S(=O)(=O)C[C@@H]2CCC[NH2+]2)CC1	2
C[C@@H]([NH3+])CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1	2
CC[NH+](CC)CC(=O)Nc1nn(-c2ccccc2)nc1C(N)=O	1
COc1ccc(OC)c(S(=O)(=O)NCC[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2O)c1	1
C/C(=N\NC(=O)C[n+]1ccccc1)c1sc(-c2nc(C)c(/C(C)=N/NC(=O)C[n+]3ccccc3)s2)nc1C	2
O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)C1(O)C[NH2+]C1	2
NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)CNCC[NH2+]CC(=O)[O-])cc1Cl	0
CN1C(=O)N(c2ccccc2)C2(CC[NH2+]CC2)C1=O	1
O=C(C1C[NH+](C[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)C1)N1CCOCC1	1
COC(=O)C(=C([O-])C(=O)Nc1ccccc1C(N)=O)c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O	-1
COCCNC(=O)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CN(C)Cc2ccccc2)nn1	1
c1ccc2c(C[NH2+]Cc3ccc4c(c3)OCO4)c[nH]c2c1	1
C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1	2
NC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc2c1CCC2	0
NC(=[NH2+])NC(=[NH2+])S[C@@H]1CC(=O)N(c2ccccc2)C1=O	2
CC(C)(C)CC(=O)Nc1cccc(F)c1	0
CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1	2
CN1CCC([N@@H+](C)Cc2cc(Br)cs2)CC1	1
COc1cc(C[NH2+]CCN2CCNC2=O)ccc1OC[C@@H](O)C[NH+]1CCCCCCC1	2
COC[C@@]1(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CCC[NH2+]1	2
Fc1ccc(NC(=S)NC[C@@H]2CCCO2)cc1Cl	0
C[C@@H](c1cc2ccccc2o1)N(O)C(N)=O	0
C=CCN1C(=O)C(=NNc2ccc(S(=O)(=O)[O-])cc2)C(=O)NC1=S	-1
Cc1cc2nc(CNC(=O)C34C[NH2+]CC3C[NH2+]C4)[nH]c2cc1C	2
CC1(C)NC(=[NH2+])NC(=[NH2+])N1OCc1ccc2c(c1)OCO2	2
CC(C)[N@@H+](C)CC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1	2
CNS(=O)(=O)c1ccc(CN(CC[NH3+])C[C@@H](O)CO)cc1	1
COc1ccccc1CNC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1	0
CS(=O)(=O)NCCNC(=O)NCC1(NS(C)(=O)=O)CCCCC1	0
CC1(C)CC(NC(=O)C[NH2+]C2CCCCC2)CC(C)(C)[NH2+]1	2
O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1	2
CN(/N=C\C=N/N(C)C1=[NH+]CCCN1)C1=[NH+]CCCN1	2
Cn1nc(C(=O)NCC[NH+]2CCCCC2)c2c1CC[C@@H]([NH2+]Cc1ccco1)C2	2
COc1ccc(CCNC2=[NH+]CCN2)cc1OC	1
CC(=O)Nc1nc2ccccc2n1CC[NH+]1CCCC1	1
CC(=O)c1ccc(N2CCN(C(=O)c3cccs3)CC2)c(F)c1	0
CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(CCOC)CC[NH+](C)C)CC1	2
CCOC(=O)N1CCC([NH2+][C@@H](Cc2ccccc2)c2ccccc2)CC1	1
c1ccc(OCc2nc3ccccc3s2)cc1	0
Cc1ccc(NC(=O)CC[NH+]2CCN(c3ccccc3F)CC2)cc1	1
COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1	0
C[N@@H+](CCC[NH+](CCO)CCO)C1CC(C)(C)N(O)C(C)(C)C1	2
CO[C@@H](C[NH3+])CC(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1	2
C[n+]1c(CO)sc2ccccc21	1
NS(=O)(=O)N1CCC[C@@H](C(=O)NCCC(=O)NCc2ccccn2)C1	0
CCO[C@@H]1CN(C(=O)C(=O)N=c2ccn(CC[NH+](C)C)[nH]2)C[C@H]1C[NH3+]	2
C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C(=O)NC12CC3CC(CC(C3)C1)C2	2
CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)C[NH+]1CCCCCCC1	2
NC(=O)C(CCN1CC[N@H+]2CCC[C@H]2C1)(c1ccccc1)c1ccccc1	1
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(CC[NH+](C)C)C(=O)C1	1
C[C@@H](C[NH+]1CCCC1)NS(=O)(=O)N(C)CCC[NH3+]	2
Nc1c(Cl)cc(-c2nn(C3CC[NH+](CCc4ccccc4)CC3)c(=O)o2)c2c1OCCO2	1
Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)C1CCCC1	1
CC1=NN(CC[NH+]2CCCCC2)c2nc3c(c(=O)n(CC[NH+]4CCCCC4)c(=O)n3C)n2[C@@H]1C	2
CNS(=O)(=O)NCC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F	0
CCn1nncc1CNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1	1
C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)C[NH+]1CCOCC1	2
Cc1ccnc(CN=NC(N)=S)c1N	0
CCn1ccc(NS(=O)(=O)c2ccc(N)cc2)nc1=O	0
Cc1[nH+]c2cc(NCc3nc4ccccc4n3C)ccc2n1C	1
CC[NH+]1CCN(C(=O)CCC(=O)Nc2ccc3nc(N4CC[NH+](C)CC4)cc(C)c3c2)CC1	2
Cc1ccc([C@@H]2[C@H]3C[N@@H+](C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1	1
O=C(C[NH2+]C1CCCC1)Nc1ccc2c(c1)OCCO2	1
C[C@H]1C[NH+](CCCC[N@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)C[C@H](C(N)=O)O1	2
CC(=NNC(=O)COc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1	0
[NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCOCC(F)(F)F)C1	2
O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccsc1	1
COc1ccc(CCNC(=O)CSc2nnnn2-c2ccccc2)cc1	0
N#CC1=C(N)N(c2ccccc2)NC1(C(F)(F)F)C(F)(F)F	0
C[C@@H](O)C[NH+](Cc1ccccc1Br)C[C@@H](C)O	1
COc1ccc(OC[C@H](O)C[NH+](C)C)c(C[NH2+]CCc2ccccc2F)c1	2
O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H](O)C[NH2+]1	2
C[C@@H](Oc1cncc(N2CC[NH2+]CC2)n1)c1cccc(F)c1	1
Cc1ccc(S(=O)(=O)NC[C@H]2O[C@@H](CC(=O)NCC[NH+](C)C)[C@H](O)[C@@H]2O)cc1	1
O=C(NCC(=O)N1CC[NH2+]CC1)N[C@@H](CO)Cc1ccccc1	1
CC[NH+]1CCN(c2nnc(-c3ccc(C)cc3)c3ccccc23)CC1	1
[NH3+]CCCC[NH2+]CCCNC(=O)C(=O)c1c[nH]c2cc(Br)ccc12	2
CC(C)C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)C(=O)NCC[NH+](C)C	1
CC(C)C[C@@H](NC(=O)[C@@H](CS)NC(=O)CN1C(=O)CCC1=O)C(N)=O	0
CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCN(CC[NH+](C)C)C(=O)C1	1
C[C@@]1(O)CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@H]1n1ccc(=O)[nH]c1=O	2
N#Cc1cccc(NC(=O)c2ccccc2)c1	0
CC(C)[N@@H+](C)CC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1	2
CC(C)[C@@H](C[NH+](C)C)NS(=O)(=O)c1ccc(C[NH3+])cc1	2
COc1ccc(NC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)cc1[N-]S(C)(=O)=O	-1
O=C1N=C(NC2CC2)O[C@H]1c1ccccc1	0
O=C(NCc1ccccn1)C1CC[NH+](C2CC[NH+](C[C@@H]3CC=CCC3)CC2)CC1	2
CCOC(=O)c1c(NC(N)=O)sc(C)c1C	0
COC(=O)[C@@H](O)C1CC[NH+](CC(=O)NCCCN(C)S(C)(=O)=O)CC1	1
O=C([C@H]1CCC[N@H+]1C1CC[NH2+]CC1)N1CCC(O)CC1	2
c1ccc(-c2nnc3c4ccccc4cnn23)cc1	0
C[n+]1cccc(NC(=O)NC(=O)c2ccc[n+](C)c2)c1	2
CC(=O)N[C@@H]1[C@@H]([NH3+])C=C(C(=O)[O-])O[C@H]1C(=O)N(CC[NH3+])CCc1ccccc1	1
NC(=O)CC[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)[O-]	0
O=c1ccc2ccc(OCCn3cnc([N+](=O)[O-])n3)cc2o1	0
Cc1ccc(C(=O)N[C@@H](Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)C(Cl)(Cl)Cl)cc1	-1
CC(C)[C@@H](C[N@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(NS(C)(=O)=O)cc2C[NH2+]1	2
O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)C(=O)N[C@H]1CC[NH2+]C1	1
CN(C)C(=O)Oc1ccc(C[NH+](C)C)cc1[N+](=O)[O-]	1
CCC[NH+](CCC)[C@@H]1Cc2c[nH]c3ccc(C(C)=O)c(c23)C1	1
CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)C[C@@H]1C[NH2+]CCO1	2
CC(=O)c1c(C)n(Cc2ccco2)c2ccc(O)cc12	0
CC(C)[C@@H](CNC(=O)[C@H]([NH3+])C(C)C)[NH+]1CCN(C)CC1	2
CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC1C[NH2+]C1	2
O=C(CC1CC[NH2+]CC1)N1CC[NH+](CCO)CC1	2
CN(C)C(=O)N1CCC(C(=O)NCC[NH+]2CCCC2)CC1	1
C[C@@H](CNC(=O)C(=O)NC[C@@H]1CN(C)CCO1)C[NH+]1CCN(C)CC1	1
CN(C)c1[nH+]cc(CNC(=O)N2CCN(CCS(N)(=O)=O)CC2)n1C	1
CCN(CCCNC(=O)C(=O)NCCC[NH+]1CCOCC1)S(C)(=O)=O	1
CC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)CC1	2
O=S1(=O)CC[C@@H]([NH2+]C2CC2)C1	1
CCOC(=O)C1CCN(C2CC[NH+](C)CC2)CC1	1
O=C([C@@H]1CCC[NH2+]1)N1CCOCC1	1
CCCCS(=O)(=O)NCC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1	1
CCC(=O)NC[C@H]1CCc2c(OC)ccc3cccc1c23	0
COc1ccc(-c2cc(C#N)nc(N3CC[NH+](C)CC3)n2)cc1	1
O=C([C@@H]1CCCN1C1CC[NH2+]CC1)N1CCC[NH2+]CC1	2
CN(C)S(=O)(=O)N1CCN(c2ncccn2)CC1	0
CC(C)[NH+]1CCC([NH2+]CCC(=O)N2CCCC2)CC1	2
CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1	1
CCS(=O)(=O)NCC[NH+]1CCC(C[NH+]2CCOCC2)CC1	2
C[C@H](NC(=O)C(=O)NCCOC[C@@H]1CCCO1)[C@@H]1C[N@@H+](C)CCO1	1
CC[NH+](CC)CCCNS(=O)(=O)C[C@@H]1CCC[NH2+]1	2
C[NH+](C)CCCNC(=O)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	1
CC(C)NS(=O)(=O)NCCNC(=O)CNS(=O)(=O)c1ccccc1N	0
CC[NH+](CC)CCCNS(=O)(=O)C1CC[NH2+]CC1	2
CN(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)S(=O)(=O)c1cccnc1	2
COc1cc2[nH+]c(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc(N)c2cc1OC	1
[NH3+]C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)C1CC1	2
COCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(C#CC(C)(C)O)cc3)C2)C1	2
COC(=O)/C(=C\c1c[nH]c2ccccc12)NC(C)=O	0
CC(C)CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	0
COCc1[nH]nc2c1[C@@H](c1cccc3ccccc13)C(C#N)=C(N)O2	0
C[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N1CC(=O)NCC1=O	1
CCn1ccnc1C[NH+]1CCC(CCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	2
NC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C[NH3+])cc2)C1	2
C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CNC(=O)[C@@H]([NH3+])C(C)C	2
C[NH+]1CCN(/N=C/c2nc(-c3ccccc3)n3ccccc23)CC1	1
N=C(NC(N)=[NH2+])Nc1nc(-c2ccccc2)cs1	1
CCOC(=O)[C@@H]1CCCN(C2CC[NH+](CC)CC2)C1	1
Cn1cc([C@@H](CN2C(=O)c3ccccc3C2=O)[NH+](C)C)c2ccccc21	1
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(OCCC#N)c1	2
CC(C)[N@@H+](C)CC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1	2
CC(C)NC(=O)CN(C)CC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1	1
Cc1cc(C(=O)NC2C[C@@H]3CC[C@H](C2)[N@H+]3C)n2ccccc12	1
O=C1Nc2c(S(=O)(=O)NCCO)cc(S(=O)(=O)NCCO)c3cccc1c23	0
O=C(C[C@@H]1C(=O)NCC[N@H+]1C1CCCC1)NCC1CC[NH+](Cc2ccccc2)CC1	2
NS(=O)(=O)N1CCN(CCCC[NH+]2CCN(S(N)(=O)=O)CC2)CC1	1
CCN(CCCNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)S(C)(=O)=O	1
C[C@H](O)C(=[NH2+])NO	1
O=C([O-])c1ccc2c(c1)C(=O)N(c1cccc(C(=O)Nc3ccc(OCc4ccccc4)cc3)c1)C2=O	-1
CN1CCN(c2cc(NCC[N@H+]3CC[C@@H](O)C3)ncn2)CC1=O	1
c1cc(-c2cn[nH]n2)ccn1	0
C[NH+](C)CC[C@@H](N)C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1	2
CC[NH+]1CCN(C(=O)CNC(=O)CNS(=O)(=O)CCOC(C)C)CC1	1
CN(C(=O)CC[C@@H]1CCC[N@H+](C/C=C/c2ccco2)C1)C1CC[NH+](C)CC1	2
CN(Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC[NH+](C)CC1	1
CN1CC[NH+](Cc2ccc(C(=O)Nc3cnn(CC[NH+](C)C)c3)cc2)CC1	2
O=C1c2ccccc2C(=O)N1CC(F)(F)F	0
NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]1C[NH2+]CCN1C(=O)C1CC[NH2+]CC1	2
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(OCCCOc2ccc(NC(=O)CBr)cc2)c1	2
Clc1ccc([C@@H]2[NH2+]CCc3cc4c(cc32)OCCO4)cc1	1
NC(=O)[C@@H]1C[C@@H]([N-]C(=O)C(F)(F)F)CN1C(=O)[C@@H]([NH3+])CCCNC(N)=N[N+](=O)[O-]	0
O=c1c(C[C@@H]2CCCO2)c(O)n2n1-c1ccccc1-c1ccccc1-2	0
CCOC(=O)[C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1	2
CCc1nn(C)cc1NC(=O)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1	1
Cn1nc(-c2ccc(S(=O)(=O)[N-]c3ccccc3N3CCOCC3)s2)cc1C(F)(F)F	-1
CS(=O)(=O)N1CCN(CCNC(=O)C(=O)NCCC2(C[NH3+])CC2)CC1	1
Cc1cc(N2CCN(c3cc(N4CC[NH+](CCO)CC4)ccc3[N+](=O)[O-])CC2)c2ccccc2[nH+]1	2
CC(C)Nc1nc(NCCO)nc(NCC[N@H+]2CC[C@@H](O)C2)n1	1
Nc1c(-c2ccc(C3=[NH+]CCN3)cc2)[nH]c2cc(C3=[NH+]CCN3)ccc12	2
CNC(=O)C1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	2
C[NH+]1CCN(CCCN(CCC(=O)N2CC[NH2+]CC2)S(C)(=O)=O)CC1	2
CC(C)n1cc2c3c(cccc31)[C@@H]1C[C@H](C(=O)NC3CCCCC3)C[N@H+](C)[C@H]1C2	1
CN1CCN(C[C@@H]2C[NH2+]C[C@H](C(=O)NCC[NH+](C)C)C2)CC1	2
Fc1ccc(Nc2nc(Cl)nc(NCCC3=CCCCC3)n2)cc1	0
CC(C)[NH2+]C[C@H]1CCc2cc(CO)c([N+](=O)[O-])cc2N1	1
CC[NH+](CC)CCCNC(=O)C1CCN(c2nc(N)nc(N)[nH+]2)CC1	2
C[NH+](C)CCNC(=O)CCC1CC[NH+](C2CSCCSC2)CC1	2
CCc1ccc(C[NH+]2CCC(C(=O)N3CCN(CC)CC3)CC2)cc1	1
O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)cc1N=NC1C[NH+]2CCC1CC2	2
COc1c(C)cccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1	1
CC1=NN(C(=O)CSc2nnc(-c3ccncc3)o2)[C@@](C)(O)C1	0
Cc1ccc(S(=O)(=O)NC2CCCC2)cc1	0
C[NH+]1CCC(C[NH2+]CCC(=O)NC(N)=O)(N2CCOCC2)CC1	2
CC(C)C[C@H](CC(=O)NO)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)[O-])C(C)C	-1
CS(=O)(=O)N1CC[NH+](CCC2CC[NH2+]CC2)CC1	2
C[C@@H](O)C[NH+]1CCC(C[NH2+]CCCS(C)(=O)=O)CC1	2
CCOC(=O)c1cc(N)cc(C(=O)OCC)c1	0
Cc1cc2[nH]c(=O)c(=O)[nH]c2c([N+](=O)[O-])c1C	0
O=C1CN(C(=O)C[NH2+][C@H]2CCCC[C@H]2n2cc(CO)nn2)CCN1	1
C[NH+]1CCN(C[C@@H]2C[NH2+]C[C@H](C(=O)NCCc3ccccc3)C2)CC1	2
C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[NH+]1C[C@H](O)[C@@H](O)C1	1
O=C(N[C@H]1C[NH+]2CCC1CC2)[C@H]1Cc2ccccc2C[NH2+]1	2
CCc1ccccc1N(CC(=O)NC[C@@H]1CCCO1)S(C)(=O)=O	0
COc1ccc(Cl)cc1C(=O)NCc1ccccn1	0
COc1ccc(C2=C(C[NH+](C)C)[C@@H](c3ccccc3)c3ccccc3O2)cc1	1
O=CN1CCC(C(=O)NCC[NH+]2CCC(=C3c4ccccc4C=Cc4ccccc43)CC2)CC1	1
CC1(C)CC(NS(=O)(=O)c2ccccc2)CC(C)(C)[NH2+]1	1
C[NH+]1CCN(C(N)=O)CC1	1
N#Cc1ccc(OC(=O)c2ccc(Cl)cc2)cc1	0
O=C(C[NH+]1CCCC1)N1CCN(C(=O)NC2CC[NH+](CCO)CC2)CC1	2
OC[C@@H]1CCC[N@H+]1C1CCN(CCc2ccccc2)CC1	1
C[N@@H+](CCNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1)C1CC1	1
COc1ccc(COC[C@@H](O)C[NH2+]C2Cc3ccccc3C2)cc1	1
CCN(C)C(=O)CNC(=O)C[C@@]1(C(=O)NCC(=O)N(C)CC)CC[NH2+]C1	1
C=CCc1cccc(/C=N/c2nc3ccccc3n2CC[NH+]2CCCCC2)c1O	1
O=C1NCc2c1cc1ccc3c(c1c2-c1ccc2c(c1)OCO2)OCO3	0
CNC(=O)CN1CCC([NH2+][C@@H](C)C2CC[NH+](C)CC2)CC1	2
CC(C)NS(=O)(=O)NCCNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C	1
CN(CC[C@@H]([NH3+])CC(=O)N[C@@H]1C=C[C@H](n2ccc(N)nc2=O)O[C@@H]1C(=O)[O-])C(N)=[NH2+]	1
COc1ccc(C)cc1NC(=O)CNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C)C2	2
C[N+]1(Cc2cc(=O)[nH]c(=O)[nH]2)CCc2[nH]c3ccccc3c2C1	1
CSc1ccccc1NC(=O)CSc1nc2ccccc2s1	0
CCN(C)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1	2
CC[NH+](CC)CCNc1ncnc2ccc(Br)cc12	1
CNc1nc(C2CC[NH2+]CC2)nc2c1CCN(C(=O)[C@@H](c1ccccc1)[NH+]1CCCCC1)C2	2
CN1CCC[NH+](CCc2ccccn2)CCNCCC[N@@H+](C)CC1	2
O[C@@H](CNc1ncnc2c1CC[NH2+]CC2)C[NH+]1CCCC1	2
C[C@@H](O)CN1CC[C@@H](C)[C@@H]([NH3+])C1	1
Cc1nn(-c2ccccc2)c2sc(C(=O)NCc3cccnc3)cc12	0
Cn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1C(N)=O	1
CCn1c[n+](C[C@@H](O)COc2ccc(F)cc2)c2cc(C)c(C)cc21	1
COc1cc(CNC(=S)NCCc2ccc(F)cc2)ccc1O	0
COCC[N@@H+](C)C[C@@H]1CN(C(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)C[C@@H]1CO	1
Nc1nc(-c2cccc3ccccc23)cs1	0
CCSc1ncc(C[NH2+]Cc2cccnc2N2CCC[N@@H+](C)CC2)cn1	2
COC(=O)C1CC[NH+](C[C@H](O)COc2cccc(C[NH2+]C3CCC3)c2)CC1	2
CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CCC[NH2+][C@H]1C	2
CC(C)[N@H+]1C[C@H](Sc2ccc(F)cc2)C[C@H]1C(=O)N1CCN(C2CC[NH+](C)CC2)CC1	2
O=C1C[C@@H]([NH+]2CCCCC2)C=C1Nc1ccc(F)cc1	1
c1ccc(CNc2nnc(Cc3ccncc3)c3ccccc23)cc1	0
C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1	2
Cc1nccc(N2CCN(C(=O)c3cccnc3)CC2)n1	0
COC(=O)[C@@H]1C[C@H](O)CN(CCC[N@H+]2C[C@@H](O)C[C@@H](C(=O)OC)C2)C1	1
CS(=O)(=O)N1CCN(C(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1	1
O=C(NCc1cccnc1)[C@H]1CCC[N@H+](C2CC[NH+](CC3CC3)CC2)C1	2
CC[N@H+](CCO)CCn1c(Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C	1
C[NH+](C)CCNC(=O)c1ccc(CSc2nc(N3CC[NH+](C)CC3)cc(C(F)(F)F)n2)cc1	2
O=c1ccn(CN2CCCCC2)c(=O)n1C[NH+]1CCCCC1	1
CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc2c(c1)OCCO2	2
COc1ccccc1CNC(=O)CC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1	2
O=C(Oc1ccc(C2SCCS2)cc1)c1ccc([N+](=O)[O-])cc1	0
C[NH+](C)CCCn1c(N)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21	1
CCC[NH+]1CCN(CC(=O)Nc2ccccc2C[NH3+])CC1	2
CC(C)[NH2+]Cc1cccc(OCCOc2nccnc2N2CC[NH2+]CC2)c1	2
C[NH+](C)C[C@@H](CO)NC(=O)c1ccc(C(=O)N[C@@H](CO)C[NH+](C)C)cn1	2
Cn1c(C[NH+]2CCC(C(N)=O)CC2)c(C#N)c2ccccc21	1
COc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1	1
COC(=O)n1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21	0
Oc1c(C[NH+]2CCCCC2)ccc(C[NH+]2CCCCC2)c1O	2
O=C1NCC/C1=C\c1ccc2c(c1)OCO2	0
COCC[N@@H+](C)CCNC(=O)CCC1CC[NH2+]CC1	2
Cc1cn(CCOCCOC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-])c(=O)[nH]c1=O	0
CN(C1CC[NH+](C)CC1)S(=O)(=O)C[C@@H]1CCC[NH2+]1	2
CCC[NH+]1CCC(N2C[C@H]([NH2+]Cc3ccccc3)C[C@H]2C(=O)NC)CC1	2
COc1ccc(CCNS(=O)(=O)c2ccc(C)cc2)cc1OC	0
Cn1c(=O)[nH]c(=O)c2c1nc1n2CCS1	0
CCOc1ccc(-c2cn(-c3ccc(OC)cc3)c3[n+]2-c2ccccc2CC3)cc1	1
COC(=O)CC[C@]1(C)C[N@@H+](C)[C@H](C)CC1=O	1
CSc1nnc(SC)n1NC(=[NH2+])c1cccc(C(F)(F)F)c1	1
C[NH+]1CCC(NC(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CC1	2
CCc1n(C)c2ccccc2[n+]1C[C@@H](O)COc1ccc(F)cc1	1
[NH2+]=c1ccn(Cc2ccc([N+](=O)[O-])cc2)cc1	1
Cc1nc2ccc(SC(F)(F)F)cc2s1	0
CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC[NH2+]1	2
CC(C)(C)C(=O)OCC(=O)c1ccc(C(F)(F)F)cc1	0
CC[C@@H](C)[C@@H](NC(=O)C[NH+]1CCC(C[NH3+])CC1)C(=O)OC	2
O=C(NC1CCCCCCC1)c1cccs1	0
CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1	2
COCC[N@@H+](CCC(=O)N1CC[NH2+]CC1)CC(C)C	2
C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCS(C)(=O)=O)CC1	2
Cc1cc(=O)[nH]c(CNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C2CCCC2)C3)n1	2
CC(C)C[C@@H](CNC(=O)[C@@H](N)CC(N)=O)N1CCOCC1	0
C[C@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C	2
COc1ccc(-[n+]2c(-c3ccc(C)cc3)cn3c2CCc2ccccc2-3)cc1	1
C[NH+](C)[C@H](CNC(=S)NC1CCCCC1)c1cccnc1	1
CC(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)[O-])C(C)C)c1ccccc1	-1
Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1	0
C#CC[NH+]1CCC(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1	2
CC(C)(C)[NH2+]C[C@@H](O)COc1cc(Cl)c(NC2=[NH+]CCN2)c(Cl)c1	2
CN(C)S(=O)(=O)N1CC(NC(=O)NCCS(=O)(=O)NCC2CCC2)C1	0
CC(C)(C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CC[NH2+]CC1	2
Cc1sc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C#N)c1C	0
C[NH+](C)CCCc1cc(C(=O)Nc2ccc(-c3ccncc3)cc2)ccc1O	1
CCOCCS(=O)(=O)NCC(=O)N1CCC(NS(=O)(=O)NC)CC1	0
C[NH2+]CCOCCNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1	1
COCCCS(=O)(=O)NCC(=O)NCCCN1CC[NH2+]CC1	1
CNS(=O)(=O)[C@@H]1CC[N@@H+](CCC(=O)N(C)CC(=O)OC)C1	1
C[N+](C)(C)CCC[N+](C)(C)CCN1C(=O)c2cccc3cccc(c23)C1=O	2
COC(=O)[C@]12C[NH+](C)C[C@H]1C[N@H+](C1CCN(S(C)(=O)=O)CC1)C2	2
CC[C@@H]1CN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC[N@H+]1CCOC	2
O=C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)N1CCNC1=O	2
O=C(CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)NCC[NH+]1CCCC1	2
NC1=NC[C@@]2(C[NH+]3CCC2CC3)O1	1
C#CC[NH+]1CCC(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1	2
C[N@@H+](CCO)Cc1c(C2CC[NH2+]CC2)[nH]c2ncccc12	2
C[C@@H]1CN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC[N@H+]1CC(C)(C)O	2
Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)NCC(=O)N1CC[NH2+]CC1	2
O=C1NC(=S)NC1=Cc1cccc(OCc2ccc(F)cc2)c1	0
CC1(C)CC([NH2+]C[C@@H](O)COCc2ccco2)CC(C)(C)[NH2+]1	2
CCc1nc(NCC[NH+](CC)CC)c(C#N)c2c1COC(C)(C)C2	1
CCNC(=O)c1ccc(Cl)s1	0
CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[NH2+]2)CC1	2
COc1cc([N-]S(=O)(=O)c2ccc(/N=C/c3c(O)ccc4ccccc34)cc2)nc(OC)n1	-1
COc1ccc([C@@H](O)CN2C3=[NH+]CCCN3c3ccccc32)cc1	1
CC(C)[N@@H+](C)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	1
COc1cc(C(=O)N2CCOCC2)cc(OC)c1OC	0
Cn1cc(C(=O)NC2CC[NH+](C)CC2)c(C(=O)NC2CC[NH+](C)CC2)n1	2
[NH3+]CCc1cccc2c1ccn2S(=O)(=O)c1ccccc1	1
COC(=O)Cc1c[nH]c2ccc(OC[C@@H](O)C[NH2+]C(C)C)cc12	1
[NH3+]CCC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21	1
Cc1cccc(NC(=O)/C=C/c2ccccc2)n1	0
Cc1nc2n(c(=O)c1CC[NH+]1CCC(c3noc4cc(F)ccc34)CC1)CCCC2	1
CC[NH+]1CCC(NC(=O)C[NH+]2CCC(OC)CC2)CC1	2
Cc1cc(C)n(C(=O)COc2ccccc2)n1	0
O=C(CN1N=C(c2ccccc2)CCC1=O)NCC[NH+]1CCCC1	1
COC(=O)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F	0
C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O	1
O=C(C[NH2+]C(CO)CO)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1	1
CNS(=O)(=O)Cc1ccc(CNC(=O)NCCNS(C)(=O)=O)cc1	0
Cc1cc(C)nc(NC(=N)N2CCCc3ccccc32)n1	0
Cc1ccc(OC[C@H](O)C[NH2+]C(C)(C)C)c(C(C)(C)C)n1	1
CCS(=O)(=O)NCCS(=O)(=O)NCC(=O)NCC[NH+]1CCCCCC1	1
C[NH+](C)CCNC(=O)CN1C(=O)CSc2ccccc21	1
C[N@H+]1CC[C@]2(OC(=O)c3ccc([N+](=O)[O-])cc3)CCCC[C@@H]2C1	1
O=c1[nH]c2cc(F)ccc2n1-c1nc2cccc(F)c2o1	0
COCC[N@@H+](C)Cc1ccc(OC)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1	2
C[NH+](C)CCSC(=O)N1c2ccccc2C(C)(C)c2ccccc21	1
CC[N@@H+](CCNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)C1CC1	1
O=c1c2cc(Cl)c(Cl)cc2ncn1C[C@@H](O)C[NH2+]C1CCCCC1	1
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1	-1
N[C@H]1CCC[C@H]1[NH3+]	1
CNS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CC[NH2+]CC2)cn1	1
C[N+](C)(C)CCC[n+]1ccc(-c2cc3ccccc3[nH]2)cc1	2
COc1ccc(-n2c(-c3ccc(Br)cc3)c[n+]3ccccc23)cc1	1
C[C@@]([NH3+])(C(=O)NCCC[NH+]1CCOCC1)c1ccccc1	2
Cn1cnc(S(=O)(=O)NCC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c1	1
CN1CCC([NH+]2CCC(NC(=O)C(=O)N[C@@H]3CCC[N@@H+](C)C3)CC2)CC1	2
C[C@@H](O)C[N@@H+](C)C1CCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1	1
CC1(C)CC(NC(=O)c2ccco2)CC(C)(C)[NH2+]1	1
NOC1CCC([NH3+])CC1	1
CCO[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)C[C@H]1C[NH3+]	2
CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+]([C@@H]1CCSC1)CC2	2
CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2Cn2cncn2)CC1	2
C[NH+](C)CCn1cnc2sc3c(c2c1=O)CC[C@@H]([NH2+]Cc1ccc(F)cc1F)C3	2
C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H](N)CC[NH+](C)C)C[C@@H]1C	2
CC[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)CC[N@H+]1CCOC	1
Cc1cc(/C=C/c2cccs2)cc(C)c1O	0
CC(=O)N1CCN(C(=O)C[NH+]2CCC(CC[NH3+])CC2)CC1	2
COc1nccnc1[N-]S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccnn2C)cc1	-1
O=S(=O)(c1cccc(C(F)(F)F)c1)C1CC[NH2+]CC1	1
CCC[N@@H+](CC(=O)N1C[C@@H](C)O[C@H](C)C1)C1CC[NH2+]CC1	2
Nc1nc2c(c(NCC[NH+]3CCC(CO)CC3)n1)CC[NH2+]CC2	2
COc1ccc(N2C(=O)C[C@@H](Nc3ccc(CCO)cc3)C2=O)cc1	0
CCOC(=O)c1ccc(Oc2nc(N(C)C)nc(N(C)C)n2)cc1	0
Nc1cccc(-c2ccc(C(=O)N[C@H](CC[NH3+])C(=O)N3CC[NH2+]CC3)o2)c1	2
CC[N+](CC)(CCO)CCCN1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O	1
CN(CC(=O)N1CCNC(=O)C1)C1CC[NH+](CCn2cccn2)CC1	1
Cc1ncc(C[n+]2ccccc2)c(CO)c1O	1
CC(=O)NCC[NH2+]Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1	2
Cn1cc(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c(=O)[nH]c1=O	0
CC[C@@H](C(=O)N(C)c1ccccc1)c1ccccc1	0
CC(C)c1[nH+]ccn1Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)[nH]n1	2
NC(=O)CN1CCC([NH2+][C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)CC1	2
CC(=O)Nc1nc(C)c(C(C)(C)C)s1	0
O=C([C@@H]1CSC[NH2+]1)N1CCC(C[NH+]2CCOCC2)CC1	2
O=C1CN(S(=O)(=O)CCCS(=O)(=O)Nc2c[nH]cn2)CCN1	0
C[NH+]1CCN(C(=O)CCNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1	2
O=C([C@@H]1CCCO1)N1CC[NH+](CC2CC[NH2+]CC2)CC1	2
Cn1ccnc1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1	2
O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cn([C@@H]2CC[NH2+]C2)nn1	2
COc1ccc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)cc1	1
O=C(C1CC[NH+](CC2CCCCC2)CC1)N(CCO)Cc1ccccc1	1
CC(=O)Nc1ccc(N2C(=O)C[C@H]([NH+]3CCCC3)C2=O)cc1	1
COc1ccc(Br)cc1CN(CCC[NH+](C)C)CCC[NH+](C)C	2
C[C@H]1C[C@@H](OC(=O)[C@@H](C)O)CC(C)(C)C1	0
COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CN1CCCS1(=O)=O	1
O=C(c1cc2n(n1)CC[NH2+]C2)N1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1	2
COC[C@@H]1CN(c2ccc(OCc3cccc(C#N)c3)cc2)C(=O)O1	0
COC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1	2
CCc1ccc(-c2nnc3ccc4ccccc4n23)cc1	0
Cc1ccc(NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1	0
CCOc1ccc2c(c1)Sc1ccccc1N2CC[NH+](CC)CC	1
CC(C)C[N@H+]1CC[C@@H](N2CCOCC2)[C@@H](CCC(=O)N(C)C2CC[NH+](C)CC2)C1	2
COc1cc(C(=O)OC2CC[NH+](C)CC2)cc(OC)c1OC	1
C[C@@H]([NH3+])CNC(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1	2
CC1(C)CC(NC(=S)NC(=O)c2ccccc2)CC(C)(C)[NH2+]1	1
CC(C)[NH+]1CCC2(CC1)NC(CO)(CO)CO2	1
CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@H](C)C[NH3+]	2
C[N@H+]1CCCCC[C@@H]1C(=O)N1CCC([NH+]2CCC(C(=O)NCc3ccccn3)CC2)CC1	2
O[C@H](C[NH+]1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1	1
Cn1c(=O)[nH]c(=O)c2c1nc(NCC[NH3+])n2C[C@@H](O)COc1ccccc1	1
C[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC(=O)N(c2ccc(N3C(=O)C[C@H]([NH2+][C@@H]4CCCC[C@@H]4C)C3=O)cc2)C1=O	2
O=C1N[C@H](C[N@@H+]2CCC[C@H](O)C2)C(=O)N[C@@H]1C[NH+]1CCC[C@H](O)C1	2
Cc1ccc(OC[C@@H](O)C[NH2+]C2Cc3ccccc3C2)cc1C	1
O=C1[N-]C(=S)N(c2cccc3ccccc23)C(=O)/C1=C/c1cn(Cc2ccccc2)c2ccccc12	-1
O=C1C[C@@H](c2ccccc2)c2c(ccc3ccccc23)N1	0
CN(CCC[NH3+])S(=O)(=O)NCC[NH+]1CCCCC1	2
O=[N+]([O-])c1cc2c(cc1CN1CCC([NH+]3CCCCC3)CC1)OCO2	1
Cn1cc(CCNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)cn1	2
COc1cc2ccccc2cc1C(=O)NCc1cccnc1	0
CCC(C)(C)C(=O)Nc1c(C)cccc1C	0
CCC(=O)Nc1cccc(NC(=O)/C=C/c2ccco2)c1	0
COc1ccc([C@H](O)c2c(C[NH+]3CCCCC3)c3ccccc3n2C)cc1	1
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC2CC[NH+](CCO)CC2)C1	2
[NH3+][C@@H]1CCCc2c1[nH]c1ccc(Br)cc21	1
C[NH+]1CCN(c2cc(=O)n(-c3ccc(Cl)cc3)c(=O)[nH]2)CC1	1
COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CC1=O	1
CN(CCC[NH3+])C(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1	2
CC(=O)N1CCC([NH+](C)C[C@@H]2CCC[N@@H+](CCO)C2)CC1	2
CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C(C)C)c(C(C)=O)c1	1
CN(CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1)C(=O)CN1CC(=O)[O+]=N1	2
O=C1C[n+]2ccccc2CO1	1
NS(=O)(=O)c1ccc(OCCSCC(=O)N2C[C@H](O)[C@@H](O)C2)cc1	0
[NH3+]CCCC(=O)N1CN2CN(C(=O)CCC[NH3+])CC([N+](=O)[O-])(C2)C1	2
C[NH+](C)CC(=O)N1CCN(C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1	2
COc1cc2c(cc1NS(C)(=O)=O)c(C(=O)[O-])c(C)n2S(C)(=O)=O	-1
CC(C)NC(=O)C[C@@H]1O[C@H](C[NH2+]C[C@H]2O[C@@H](CC(=O)NC(C)C)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	1
C[NH+]1CCN(CCC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1	2
CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21	0
CN(CCCNC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1)S(C)(=O)=O	2
COc1ccc(C(N2CC[NH2+]CC2)N2CC[NH2+]CC2)cc1	2
COc1ccc([C@@](C#N)(CCC[NH+]2CCN(C(=O)c3ccco3)CC2)C(C)C)cc1OC	1
O=c1[nH]c2cc(F)c(NCC3CCOCC3)cc2o1	0
CC(C)[C@@](C)(NC(=O)c1cccnc1Oc1ccc(F)cc1)C(N)=O	0
CCCNC(=O)C1CC[NH+](CC(=O)NC2CC[NH+](CC)CC2)CC1	2
CNC(=O)NCCC(=O)NCC1([NH+]2CCOCC2)CCOCC1	1
COc1cc(C[NH+]2CCN(CC[NH3+])CC2)cc(OC)c1	2
CN(C)C(=O)C(C)(C)[NH2+]CCNS(=O)(=O)c1cnn(C)c1	1
COC(=O)CC[C@H]1C(=O)N(CC(=O)[O-])CCN1C(=O)CNC(=O)c1ccc(CC[NH3+])cc1	0
CC1(C)CN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC[N@H+]1CCO	2
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1	2
O=c1[nH]c2ccccc2n1C1CC[NH2+]CC1	1
COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C[C@@H]1C	1
Cc1ccc(S(=O)(=O)N2CCC([NH+]3CCCCCC3)CC2)cc1	1
COc1ccc(OC)c(-c2ccc(C(=O)N(C)C3CC[NH+](C)CC3)c(N3CC[NH+](C)CC3)n2)c1	2
CC(=O)NC[NH+](C)C	1
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(OC)ccc1OC	0
C[NH2+]Cc1cc(N(C)C)nc([C@@H]2CCCN2C(=O)C[NH+](C)C)n1	2
O=C(NCC[NH+]1CCCC1)[C@@H]1CC(=O)N(C2CCCCC2)C1	1
C[NH+](C)CCCNS(=O)(=O)c1cccc(C[NH3+])c1	2
CCCN(C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)[C@@H]1CC[NH2+]C1	2
O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1	2
C[NH+](C)CCNC(=O)c1ccc(NCC[NH2+]CCO)c2cc3ccccc3nc12	2
CCC[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCN(C(=O)Cn3cc[nH+]c3C(C)C)C1)C2=O	2
C[N@@H+](CC1CCN(C(=O)CC[NH3+])CC1)[C@@H]1COC[C@@H](O)[C@H]1O	2
O=C(CCc1ccccc1)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCOCC1	0
CC(C)NC(=O)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1	2
COc1ccc(C[N@@H+](C)CC(=O)N2CCC[C@@H]2c2nnc3n2CC[NH2+]CC3)cc1	2
C=C(C)c1cccc(C(C)(C)NC(=O)N2CC[NH+](CC)CC2)c1	1
CC(C)(C)[NH2+]C[C@@H](O)COC[C@H]1C[NH+]=C(Nc2c(Cl)cccc2Cl)N1	2
CN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CCC(=O)N(CC[NH+](C)C)C1	2
C[NH+]1CCN(NC(=O)c2sc3ccccc3c2Cl)CC1	1
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1C	-1
COc1ccc(NC(=S)N(C(C)C)C2CC[NH+](C(C)C)CC2)cc1	1
CC1(C)CC(NS(=O)(=O)c2cc(Cl)ccc2Cl)CC(C)(C)[NH2+]1	1
C[NH+](C)CC(=O)N1C[C@@H]2C[C@H](C1)c1ccc(-c3ccccc3C[NH+](C)C)c(=O)n1C2	2
N#CCn1cc(N)n(-c2ccc(Cl)cc2)c1=O	0
COCCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@@H](C[NH+](C)C)C1	2
C[NH+](C)CCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1	1
COCC[NH+](C)CCNC(=O)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1	2
CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CS)C(N)=O	1
COc1ccc(C(=O)Nc2nn[nH]n2)c(OC(C)C)c1	0
c1ccc2c[n+](CCOCCOCC[n+]3ccc4ccccc4c3)ccc2c1	2
Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])n[nH]1	0
CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2)CC1	1
O=C1CN(CC(=O)N(CC2CC[NH+](C3Cc4ccccc4C3)CC2)C[C@@H]2CCCO2)N=[O+]1	2
C[N@@H+](CCO)Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn12	2
CN1Cc2cc(CN3C(=O)c4ccccc4C3=O)ccc2NC1=O	0
Cn1c(C[N@@H+](C)CCN2CC[NH2+]CC2)cc(=O)n(C)c1=O	2
CC1(C)OC(=O)N(C[C@@H]2CCCO2)[C@@]1(C)O	0
CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C(=O)OCC(=O)N2CCN(S(C)(=O)=O)CC2)cc1	0
CCCN1CCC([NH+]2CCC(O)(c3ccc(Br)cc3)CC2)CC1	1
COC(=O)[C@@H](CC(C)C)Oc1ccc2c(C)cc(=O)oc2c1	0
C[NH+](C)CCN(CCC(=O)N1CC[NH2+]CC1)S(C)(=O)=O	2
CCc1c(C)nc(SCC(=O)c2ccc(Cl)cc2)c(C#N)c1C	0
O=C(Nc1ccc2c(c1)C(=O)N(CCC1CC[NH+](Cc3ccccc3)CC1)C2=O)c1ccccc1	1
COc1ccc(N2CC[NH+]([C@@H](C)Cc3cccc(C(F)(F)F)c3)CC2)cc1	1
O=C1N/C(=N/c2cccc(Br)c2)S/C1=C/c1ccc(-c2ccccc2C(=O)[O-])o1	-1
CC[N@H+]1CC=C2[C@H](C1)[C@@H](c1ccncc1)C(C#N)=C(N)C2(C#N)C#N	1
[NH3+]CCCC(=O)NCC(=O)NC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)[O-]	0
COc1cccc(CN2CCC([NH+]3CCCCCC3)CC2)c1	1
CCC[N@@H+](C)[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1C[NH2+]C1CCOCC1	2
C=CCNC(=O)CN1CCN([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1	1
NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)C1	2
CCNS(=O)(=O)c1cccnc1N1CC[NH+](C(C)C)CC1	1
CC(C)N(CCCNC(=O)CN1CC(N2CCNC2=O)C1)S(C)(=O)=O	0
C[NH2+]CCN(C)C(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1	2
Cc1cc(NC(=O)C[NH+]2CCCCC2)n(-c2ccccc2)n1	1
CC[C@@]1(C)NC(=O)N(NC(=O)CN2CCN(CC(=O)NC3CC3)CC2)C1=O	0
O=[N+]([O-])c1ccc([C@@H](O)CN2CC[NH+](Cc3ccccc3)CC2)cc1	1
CSc1nc(N)nc(SCC(=O)c2ccc(C)cc2)c1C#N	0
Cc1cc2n(n1)C[C@@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)CN2	2
O=C1CN2C(=[NH+]c3ccc(Cl)cc3[C@@H]2c2ccccc2)CN1	1
CNS(=O)(=O)[C@@H]1CCN([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C1	1
COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)CCCS(C)(=O)=O	1
CS(=O)(=O)Nc1cc2c(cc1Sc1cccs1)C(=O)CC2	0
NC(=O)c1c([N-]C(NC(=O)c2cccnc2)(C(F)(F)F)C(F)(F)F)sc2c1CCCC2	-1
C[NH+](C)C[C@@H]1CCCN1CC[NH2+]CCS(C)(=O)=O	2
C[N@H+]1CC[C@@](N)(C(=O)N2CCC[C@@H](CC[NH3+])C2)C1	2
C[NH+](C)CCc1cnccn1	1
C[NH+](C)CCCNC(=S)C(=S)NCCC[NH+](C)C	2
O=C(CC[N@H+]1CCc2ccccc2C1)N1CC[NH2+]CC1	2
CC(=O)c1c(C)nc2ccccc2c1-c1ccc(C)cc1	0
COc1ccccc1N1CC[NH+](CCc2ccc3[nH]c(=O)sc3c2)CC1	1
CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C[C@@H]1C	2
CN1CCN(C(=O)C2([NH+](C)C)CC2)C[C@@H]1CNC(=O)C1([NH+](C)C)CC1	2
O=C([O-])CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1	0
NC(=[NH2+])NCC[C@@H](NC(=O)OCCCCCn1ccc(=O)[nH]c1=O)C(=O)[O-]	0
O=C(NCC[NH+]1CCCC1)NC1CCCCC1	1
NC(=O)C1CC[NH+]([C@@H]2COC3(CC[NH2+]CC3)C2)CC1	2
COc1ccc([C@@]2(O)CN3CCSCC3=[N+]2c2ccc(C)cc2)cc1	1
CN(c1ncnc2sc3c(c12)CCCC3)C1CC[NH+](C)CC1	1
O=C(C[NH+](CCO)CCO)N(C1CCCCC1)C1CCCCC1	1
C[C@@H](CNC(=O)C(=O)N(C)C[C@@H](O)CN1CCOCC1)C[NH+]1CCCC1	1
C[C@@H]([NH3+])CNC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1	2
C[NH+]1CCN(C(=S)c2cn(CCOc3ccccc3F)c3ccccc23)CC1	1
C[C@@H](NC(=O)C1([NH3+])CCC1)C(=O)NCC[NH+]1CCCCC1	2
C=CC[C@@H]1[NH2+]C2(CCCCC2)Cc2cc(OC)c(OC)cc21	1
CC[NH+](CC)CCOC(=O)N1CC[NH+](C(C)C)CC1	2
C[NH+](C)CCn1nc(Cc2ccccc2)c2ccccc2c1=O	1
C[C@H]1CCCC[N@H+]1Cc1nc2ccccc2c(=O)n1-c1ccc(F)cc1	1
O=C1O[C@H](CC[NH+]2CCCCC2)OC1(c1ccccc1)c1ccccc1	1
CC(=O)c1ccc(N2CCN(C(=O)c3cccnc3)CC2)cc1	0
O=C([O-])c1cccc(NC(=O)c2ccc(Br)c(S(=O)(=O)N3CCCCC3)c2)c1	-1
CCS(=O)(=O)NCCS(=O)(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1	1
OCC#Cc1csc(C[NH+]2CC[C@@]3(CCC[N@@H+](CC4CC4)C3)C2)c1	2
C[NH2+][C@@H](CC(C)C)C(=O)N[C@H]1C[C@@](O)(C(=O)N[C@H]2CCCNC2=O)C[C@@H](O)[C@@H]1O	1
COc1cc(/C=C/C(=O)Nc2cccc(Cl)c2)cc(OC)c1OC	0
COc1ccc(C[NH+]2CCSCC2)cc1OC	1
O=C(CN1CC[NH2+]CC1)N1CCC(C[NH+]2CCCC2)CC1	2
CCOC[C@@H](O)CN1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC1	1
Cn1ccnc1CN(CCO)C(=O)[C@@H]1CC2(CC[NH2+]CC2)C[NH2+]1	2
CC[N+]1(C)[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2	1
COC(=O)CN1C(C)=[NH+]c2ccc(Cl)cc2[C@@H]1c1ccccc1	1
O[C@@H](COCC[NH+]1CCCCC1)C[NH+]1CCCCC1	2
CN(C)C(=O)c1nc(CNC(=O)C[NH3+])n(-c2ccc(Cl)cc2C(=O)c2ccccc2Cl)n1	1
COc1ccccc1[C@@H]1SCCN1S(=O)(=O)c1cccc(C)c1	0
CCN(C(=O)CN(C)C[C@@H](O)C[NH+]1CCOCC1)[C@@H]1CCS(=O)(=O)C1	1
Cn1cc(S(=O)(=O)[N-]CCNc2ncc(C(F)(F)F)cc2Cl)c(=O)n(C)c1=O	-1
C[NH+](C)C[C@@H](O)COc1c(Cl)cc(Cl)cc1Cl	1
CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(OC)c(OCC(N)=O)c(OC)c2)C1	2
CCNc1nc(C(N)=O)nc(N2CCCCC2)n1	0
CC(=O)NCC(=O)NCC(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3C)[C@H]1O5	1
[NH3+]C[C@H]1C[C@@H]2CCN1C[C@@H]2C[N@H+]1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	2
O=C(c1ccccn1)c1cnn2c(-c3ccncc3)ccnc12	0
CN1CC[C@@H]1[NH3+]	1
Cc1ccn2c(C[N@@H+](C)CCCC[NH+]3CCOCC3)c(C(=O)N3CCCCCC3)nc2c1	2
Cc1ccccc1Cn1c(SCC(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C	-1
O=C(CCNS(=O)(=O)c1cccs1)NC[C@@H]1C[NH2+]C[C@@H]1O	1
NC(=O)C1CC[NH+](CCC(=O)N2CCOC[C@@](O)(CNC(=O)c3ccccn3)C2)CC1	1
O=C(CCCCCCC(=O)C[N+]12CCC(CC1)[C@@H](O)C2)C[N+]12CCC(CC1)[C@@H](O)C2	2
COc1ccc2c(c1)c(C(=O)C[NH+]1CCCCC1)c(C)n2C	1
CCOC(=O)Cc1csc2nc3sc4c(c3c(=O)n12)CCCC4	0
c1ccc2c(c1)CCO[C@@H]2C[NH2+]C[C@@H]1COc2ccccc2O1	1
[NH3+]CCc1ccn[nH]1	1
C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC(N2CC[C@@H](O)C2)C1	0
CC1CCC([NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1	1
CO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)C1	1
NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1	2
COc1cc(NCc2ccc3[nH+]c(N)nc(N)c3c2C)cc(OC)c1OC	1
OC(C[n+]1ccc2ccccc2c1)C[n+]1ccc2ccccc2c1	2
CNC(=O)CCNC(=O)[C@@H]1C[C@H](SC2=C(C(=O)[O-])N3C(=O)[C@H]([C@@H](C)O)[C@H]3[C@H]2C)C[NH2+]1	0
Cn1c(=O)c2c(nc(CN3CC[NH+](CCO)CC3)n2CCCO)n(C)c1=O	1
Cc1ccc(N([C@@H](C)C(=O)[O-])S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1	-1
NC(=[NH2+])c1c(Cl)cccc1N1CC[NH+](CCO)CC1	2
CCOC(=O)CN(C)C(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1	1
CCCN(C(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH2+]C1	2
CC(=O)[C@@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C	0
C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccccc12	1
C[N@@H+](CCN1C(=O)NC(C)(C)C1=O)C1C[C@@H]2CC[C@H](C1)[NH2+]2	2
C[NH+]1CCC(c2n[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc23)CC1	1
O=C([N-]S(=O)(=O)c1cnccc1Sc1cc(Cl)cc(Cl)c1)NC1CCCCC1	-1
CC[NH+]1CCC([NH2+]Cc2ccc(Br)cc2)CC1	2
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)nc(OC)n1	-1
CSc1cccc(NC(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3C[NH+]2CCOCC2)c1	1
C[C@@H](O)C[NH+]1CCC(C[NH2+]CCN2C(=O)CNC2=O)CC1	2
C[N@@H+](CCN1C(=O)NC(C)(C)C1=O)CC1CC[NH+](CCO)CC1	2
COc1ccccc1OC[C@@H](O)C[N@@H+](C)C[C@@H](O)C[NH3+]	2
CNC(=O)CCN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1	1
CCc1ccc(OC(=O)COc2ccc(Br)cc2C)cc1	0
CC(C)(CNC(=O)[C@@H]1CCC[NH+](CC(N)=O)C1)[N@H+]1CCc2ccccc2C1	2
CC1(C)CC(NC(=O)c2cc3ccccc3oc2=O)CC(C)(C)[NH2+]1	1
CCOC(=O)c1nnn2c1nc(N1CC[NH+](C)CC1)c1ccccc12	1
CC(C)[C@@H]1NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCC[NH3+])NC1=O	1
COCC[NH+]1CCC(C[N@H+]2CCN3C(=O)CNC(=O)[C@@H]3C2)CC1	2
COc1ccc([C@@H]2NC(=[NH2+])NC(=[NH2+])N2c2ccccc2)cc1OC	2
COc1ccc(C2(C(=O)[O-])CCCCC2)cc1[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	-1
Cc1cccc2cc(C[NH2+]CCCN3CCCC3=O)c(N3CC[N@H+]4CCC[C@@H]4C3)nc12	2
CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)CC1	2
CN(C)S(=O)(=O)CCNC(=O)c1cn(CCN2CC[NH2+]CC2)nn1	1
CN1CC[C@@]([NH3+])(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)C1	2
C[N@H+]1CCC[C@H](C(=O)N2c3ccccc3NC(=O)c3cccnc32)C1	1
COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CCCO3)c2c1	0
CC(=O)NCCNC(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1	2
CC[NH2+][C@@H](C)Cc1cccc(SC(F)(F)F)c1	1
CCOC(=O)C1CC[NH+](CCC(=O)Nc2ccccc2)CC1	1
Cc1ccc(-c2csc3ncnc(N4CC[NH+](C)CC4)c23)cc1	1
Cc1ccc(C(=O)c2c(C)[n+](-c3ccccc3)c3scc(C)n23)cc1	1
C[C@@H]1CCC[C@](CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)([NH+](C)C)C1	2
CN1C(=O)CN(S(C)(=O)=O)C[C@@]1(C)C(=O)NCC(=O)NCCC[N@H+]1CCc2ccccc2C1	1
O=C(CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)N1CC[NH+](Cc2ccccc2)CC1	2
CC1CC[NH+](CC(=O)Nc2sc3c(c2C(N)=O)CCC3)CC1	1
COC(=O)c1cccc(C[NH3+])c1	1
COc1cccc(C[N@H+]2CCCN(c3nc(CN4CC[NH+](C5CCCCC5)CC4)cc(=O)[nH]3)CC2)c1OC	2
CC[NH+]1CCN(C(=O)CCC2CC[NH+]([C@@H](C)Cc3cccc(C)n3)CC2)CC1	2
COc1cccc(CC[NH+]2CCCC2)c1N	1
CC[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCCCN(C)S(=O)(=O)CC)C1	1
CN1CC[NH+](Cc2ccc(C(=O)NCCC[NH+]3CCC(O)CC3)cc2)CC1	2
CCOC(=O)c1cnc(C[NH3+])c2c(OC)cc(OC)cc12	1
C[NH2+]CC1CC[NH+](CCN2C(=O)NC(C)(C)C2=O)CC1	2
C[NH+]1CCC([N@H+]2CC[C@H]3[C@H](CCC(=O)N3Cc3cccnc3)C2)CC1	2
Nc1ccc2nc(SCC(=O)N3CCc4ccccc43)sc2c1	0
CC1(C)C(C(=O)N[C@H](C(N)=O)c2ccccc2)C1(C)C	0
Cn1cc(OC[C@H](O)C[NH2+]C(C)(C)C)c2ccccc2c1=O	1
COc1ccc(C(=O)c2sc3nc(C)cc(C)c3c2N)cc1OC	0
OCC1CC[NH+](CCC[NH+]2CCC(CO)CC2)CC1	2
CN(CCCN(C)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)CC[NH+](C)C	2
c1coc(CNc2nc3ccccc3n2CC[NH+]2CCOCC2)c1	1
OC1(c2ccc(Cl)cc2)CC[NH2+]CC1	1
CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1	1
C[C@@H]([NH3+])CNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1	1
C[NH+]1CCN([C@H]2C[N@H+](C3CCN(C(=O)c4ccccn4)CC3)C[C@@H]2O)CC1	2
COc1ccc([C@@H]2SCC(=O)N2CCC[NH+](C)C)cc1	1
CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])Cc1ccccc1	2
C[NH+](C)CCCN1C(=O)CS[C@@H]1c1cccc(Cl)c1	1
COCC[NH+](C)CCN1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H](C)O2)CC1=O	2
CC[N@@H+](C)CCNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C	1
C[NH+]1CCN(c2cc(CNC(=O)[C@H]3C[NH2+]CCO3)ccn2)CC1	2
CC(C)n1c(N2CC[NH+](C)CC2)nc2c1c(=O)[nH]c(=O)n2C	1
C[NH+](C)CCCNC(=O)c1ccc(C(=O)NCCC[NH+](C)C)nc1	2
C[N+]1([C@@H]2CC[C@H]3CC[C@@H]2[C@@H]3O)CCCCC1	1
C[N+](C)(C)NP(=O)(N[N+](C)(C)C)c1ccccc1	2
Cc1cc(NN)[nH+]c(C)n1	1
C[C@@H](O)/C=C/c1ccc2ccccc2[n+]1C	1
CCOCCS(=O)(=O)N(Cc1cn(C)c(=O)n(C)c1=O)[C@@H]1CC[NH2+]C1	1
C[C@@H](NC(=O)C(=O)NC1C[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	2
Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2	2
Cc1cccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[NH+](C)C)c1	2
N#Cc1ccc([C@H]2C[NH2+]CCNCC[NH2+]CCN2)cc1	2
O=C(Nc1cccc2ccccc12)C(F)(F)F	0
C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21)C1CCCCC1	2
Cc1nc(C[NH2+]CCCN2CC[NH+](C)CC2)cs1	2
COc1ccc(-c2nnc(NC(=O)[C@H]3CCC[NH2+]3)s2)cc1	1
C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NC[C@H]1CCC[NH2+]1	2
NC(=O)CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCC[NH2+]1	2
Cn1cc[n+](C)c1COc1ccc(C(N)=O)cc1	1
COCCNC(=S)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2CN1CCN(c2ccc(F)cc2)CC1	1
Cn1cc([C@@H]2C[NH2+]C[C@H]2C(=O)NCCC(=O)N2CC[NH+](C)CC2)cn1	2
c1ccc(C[NH+]2CCC([NH2+]Cc3ccc4c(c3)OCO4)CC2)cc1	2
CC1(C)CCCN(c2ncnc3[nH]ccc23)C1	0
CC(C)[C@@H](NC(=O)Cn1ccc2c(=O)[nH]c(=O)[n-]c2c1=O)C(=O)C(F)(F)F	-1
C[NH+](C)CCNC(=O)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1cc(F)ccc1F	1
C[NH+]1CCN(CC(=O)OC2C[C@@H]3CC[C@H](C2)[N@H+]3C)CC1	2
CNC(=O)C[C@@]1(O)CCCN(C(=O)NCCNS(=O)(=O)NC(C)C)C1	0
COc1ccc(OCC(=O)NC2CCCCCCCCCCC2)cc1	0
C[N@H+]1[C@H]2CCC[C@@H]1CC(NC(=O)c1cccc3nc[nH]c13)C2	1
COCC[N@H+]1CCC[C@@H]1CNC(=O)CNS(=O)(=O)N(C)C	1
COC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(C(=O)C[NH+]2CCCCC2)CCO3)C1	2
CN1[C@@H](CCC(=O)N2CCC(O)CC2)CNC(=O)[C@@H]2[C@H]1CCN2Cc1ncc[nH]1	0
COc1cc(C)c(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1C	1
CC[NH+](CC)Cc1ccc(C(=O)NC2CC[NH+](CC(=O)NC)CC2)cc1	2
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@@H]2c2cccc(OCc3ccccc3)c2)o1	-1
C[N@H+]1[C@H]2CC[C@@H]1CC(=NOC(=O)c1ccc([N+](=O)[O-])cc1)C2	1
[NH3+]CCn1cc(C(=O)N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)nn1	2
C[C@@H](C[N+](C)(C)C)OC(=O)c1ccc(S(=O)(=O)N(C)C)o1	1
[NH3+][C@H]1CCN(c2ccc(Cl)nc2)C1	1
C[NH+](C)C[C@@H](O)[C@H]1CCOC(C)(C)C1	1
Cn1c(=O)c2ccc(C(=O)NC3CC[NH+](CC(=O)NC4CC4)CC3)nc2n(C)c1=O	1
CCCn1c(=O)c2c(nc(N3CC[NH2+]CC3)n2CCC)n(C)c1=O	1
Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cn1	2
CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(C[NH3+])c1	2
CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)N1CC=C[C@@H]1C(N)=O	1
c1ccc(C[N+]2(C[C@H]3CO3)CC[N+](Cc3ccccc3)(C[C@H]3CO3)CC2)cc1	2
CC(C)[C@@H](CNC(=O)C[NH2+]C1CC1)[NH+]1CCN(C)CC1	2
CC(C)[NH2+]CC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1	2
CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1	2
C[NH+]1CCN(C(=O)Cn2cc(NC(=O)[C@@H]([NH3+])C3CCOCC3)cn2)CC1	2
C[N@@H+](CCCNC(=O)CNC(=O)C[NH3+])Cc1ccccc1	2
CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1	2
C[NH+]1CCC(N2CCC[C@@H](NC(=O)CNS(C)(=O)=O)C2)CC1	1
COCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(S(C)(=O)=O)CC1	1
O=C(C[NH+]1CCC(c2ccccc2)CC1)N1C[C@@H](C[NH+]2CCOCC2)[C@@H](CO)C1	2
C1CO[C@@H](C[NH+]2CCC(C[NH+]3CCOCC3)CC2)CN1	2
Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1	0
C[C@H]1CN(C(=O)NC2C[C@@H]3CC[C@H](C2)[N@H+]3C)c2ccccc21	1
CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1	0
CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC12CC[NH2+]CC2	2
CCS(=O)(=O)c1ccsc1S(=O)(=O)CC	0
NC(=O)CNC(=O)OCc1ccccc1	0
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NC1CN(S(=O)(=O)N(C)C)C1	1
COc1ccccc1NC(=O)N1CC[NH+](CCc2ccccc2)CC1	1
C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1	2
Cc1cc[n+](Cc2cnc(C)nc2N)cc1	1
COc1c2c(cc3c1[C@@H](Cc1cc(C)on1)[N@@H+](C)CC3)OCO2	1
NC(=O)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1	1
CO[C@H]1C[C@@H](CN(C)C(=O)C(=O)N2CCO[C@@H](C[NH+](C)C)C2)[N@@H+](C)C1	2
CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H]1C[NH3+]	2
CCCC[NH+]1CCC(NC(=O)[C@H]2C[C@@H](OC)C[NH2+]2)CC1	2
NC(=O)c1ccc(C[NH+]2CCC(C[NH3+])CC2)c([N+](=O)[O-])c1	2
O=C(N1CCN(c2cc[nH+]cc2Cl)CC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	1
COC(=O)c1cc(OC)c(OC)cc1NC(=O)Nc1ccc(F)cc1	0
COc1ccc(C[NH+]2CCC(O)CC2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1	2
COCCOCCN(CCO)S(=O)(=O)c1ccc(S(N)(=O)=O)cc1	0
O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C/c1ccco1	0
O=S(=O)(Cc1ccccc1)NC1CCCC1	0
Cn1cc(C[N@@H+](C)Cc2cc3ccc(F)cc3n(CC[NH+]3CCCCC3)c2=O)cn1	2
O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)NCC[NH2+]C1CC1	2
COC(=O)[C@@H]1C[NH2+]CCCN1CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1	2
N#Cc1c(F)cccc1NC1CC[NH+](Cc2ccccc2)CC1	1
C=C[C@@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@@H](OC(=O)c1ccc(OC)cc1)c1ccnc2ccccc12	1
COC(=O)c1ccc(OCC(=O)Nc2nc3c(s2)CCCC3)cc1	0
O[C@@H](COCc1ccccc1)C[NH+]1CCN(c2ccccn2)CC1	1
NC(=O)[C@@H]1CCNC(=O)C[C@@H](NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1	1
COCCOCCCC(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1	2
COc1ccc([C@H]2COc3cc(O)cc(O)c3C2=O)cc1	0
CN1C(=O)C[C@H]([NH2+]Cc2ccc3c(c2)OCO3)C1=O	1
CNS(=O)(=O)c1cc(OC)c(OC)c(C(=O)NC[C@H]2CCC[N@H+]2C)c1	1
COc1ccc(CC[N@@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)cc1OC	1
NC(=O)C1CC[NH+](C2CCN(CCc3ccccc3)CC2)CC1	1
CCOC(=O)C[C@@H]([NH3+])c1ccc(F)cc1	1
C[C@@H](C[NH2+]C[C@@H](O)CN1CCOCC1)C[NH+]1CCCC1	2
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1nnc2ccccn12	2
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cc2c(ccc3ccccc32)oc1=O	-1
O=S(=O)(N[C@@H]1CCCC[C@@H]1[NH+]1CCCCC1)c1ccccc1	1
C[C@H](c1ccccc1)[N@H+]1CCc2nc(=O)n3cc(-c4ccccc4F)[nH]c3c2C1	1
O=C1CCC(=O)N1OC[C@@H]1CCC[N@H+]2CCCC[C@H]12	1
CCN1CCN(C(=O)C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)CC1	1
Nc1cccc(OC[C@H]2CCC[N@H+]3CCCC[C@H]23)c1	1
COCC[NH+]1CCC(C[N@@H+](CCc2ccccc2)C[C@@H]2CCCO2)CC1	2
CCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH+](CC)CC)C2=O)cc1	1
CCOc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(C)c1	-1
C[NH+]1CCN([C@@H](CNC(=O)C(=O)NCCN2CCOCC2)c2ccc3c(c2)OCO3)CC1	1
C[C@@]12CC[C@@H](O1)[C@H]1C[NH2+]C[C@H]12	1
O=C(Cn1ccnc1)c1ccc2ccccc2c1	0
COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)C(=O)CCN3CC[NH+](C)CC3)C2)cc1	2
COc1ccc(C(=O)Nc2ccccc2CC[C@H]2CCCC[N@H+]2C)cc1	1
COc1ccc(C[N@H+]2C[C@@H](C(=O)NCC[NH+](C)C)C[C@@H](C(=O)Nc3ccc(F)cc3)C2)cc1OC	2
O=C(c1ccc(SCc2ccoc2)c([N+](=O)[O-])c1)N1CCOCC1	0
CC1=[NH+]N(CCN2CC[NH+](C)CC2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C	2
CCS(=O)(=O)C(C)(C)S(=O)(=O)CC	0
CC(C)(C)c1cc2nc(C(F)(F)F)cc(N3CC[NH2+]CC3)n2n1	1
COc1cccc(OC[C@@H](O)C[NH+]2C(C)(C)CC(O)CC2(C)C)c1	1
CCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1	2
COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H](C)C[NH+]1CCOCC1	2
COc1ccccc1C[N@H+]1CC[C@@H](NCCC[NH+](C)C)[C@H](O)C1	2
O=C(Nc1c2c([nH+]c3c1CCC3)CCCC2)C1CCCCC1	1
COc1ccc(C[N@H+]2C[C@@H](CN3CC[NH+](C)CC3)C[C@@H](C(=O)NC[C@@H]3CCCO3)C2)cc1OC	2
CN(CCCNC(=O)C[N@H+]1C[C@@](C)(CO)[C@@](C)(CO)C1)S(C)(=O)=O	1
Cc1c(NS(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C	0
Nc1ncc(S(=O)(=O)c2ccccn2)s1	0
O=C([O-])[C@@H]1CCCC[N@H+]1Cc1ccccc1	0
CC1(C)CC(NCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)[NH2+]1	2
COC(=O)CNC(=O)c1ccc(NCC(=O)N2CCN(S(C)(=O)=O)CC2)cc1	0
Cn1cc(S(=O)(=O)[N-]CCS(=O)(=O)NCC2CCC2)c(=O)n(C)c1=O	-1
[NH3+]C[C@@H](NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)C1CCCC1	1
COc1ccc(CN2CC[NH+](C3CCCC3)CC2)cc1OC[C@@H](O)C[NH+]1CCCCC1	2
O=[N+]([O-])c1ccc2nnn(OCc3ccc(Br)cc3)c2c1	0
CCOC(=O)N1CCC(O)(C[N@H+]2CCN(S(C)(=O)=O)C[C@@H](C(=O)NC)C2)CC1	1
C/C(=C/CC[NH+]1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1	1
C[N@@H+](CCCn1ccnc1)CCOc1ccc(Cl)cc1	1
C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)c1	2
CCCN(CCC)C(=O)[C@@H](NC(C)=O)[C@H]1C[C@@](O)(C(=O)[O-])C[C@@H]1NC(N)=[NH2+]	0
C[N@@H+](CCC(=O)Nc1ccc2c(c1)OCO2)Cc1ccccc1	1
COc1cc2ccc(=O)oc2cc1OC	0
CCC([NH3+])(CC)CNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1	1
Cc1cc(C(F)(F)F)cc(N(C)N[C@@H]2OC(=O)c3ccccc32)[nH+]1	1
CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccc(S(C)(=O)=O)cc1)C(=O)[O-]	-1
COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]c2cccc(OCC(N)=O)c2)c1	-1
CN1CCN(c2ccccc2Cc2ccccc2)CC1	0
C[N@H+]1[C@H]2CCC[C@@H]1CC(NC(=O)c1nccc3ccccc13)C2	1
C[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(=O)NC[C@@H]1CCCO1	1
O[C@@H](CN1C2=[NH+]CCN2c2ccccc21)c1ccc2c(c1)OCO2	1
C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@@H]1C[NH2+]CCO1	2
C[NH+](C)C1(CNC(=O)CN2CC[NH2+]CC2)CCCCC1	2
COc1cc([C@@H](c2c(C)[nH][nH]c2=O)C(C#N)C#N)cc(OC)c1OC	0
CCCn1c(=O)c2c(ncn2CCC[C@H](O)[C@@H](C)O)n(CC)c1=O	0
CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](OCCOC)C[C@@H](CO)C1	1
COC(=O)[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)N(C)C)CC[N@@H+](C)C1	1
Cc1cc(C)c(S(=O)(=O)N(CC#N)CC#N)c(C)c1	0
COc1ccc(C2=[N+]3CCCCN3[C@@](O)(c3ccc(OC)cc3)C2)cc1	1
CCN(CC)c1nc2c(C)cccn2c(=O)c1C=O	0
O=C(CNC(=O)[C@@H]1CCC[NH2+]CC1)NCCN1CCOCC1	1
Cc1c(C)n(-c2cc[nH+]cc2)c2ncnc(NCC[NH+](C)C)c12	2
CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1	1
NC(=O)c1ccccc1NC(=O)c1ccccc1CCc1ccccc1	0
C[C@@H]1CN(S(C)(=O)=O)C[C@@H](C)O1	0
C[NH+](C)CCCC1=C([N+](=O)[O-])C=CC([N+](=O)[O-])=C(CCC[NH+](C)C)N1C(F)(F)F	2
COC(=O)c1ccccc1C(=O)c1ccc(OCC[NH+]2CCCCC2)cc1	1
CS(=O)(=O)Nc1ccc(F)cc1F	0
C[NH2+]CC(=O)N1CCC2(CC1)CN(CCN1CC[C@@H]([NH+](C)C)C1)C(=O)O2	2
NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H](N)CCCNC(N)=N[N+](=O)[O-]	1
CN(CCC[NH3+])S(=O)(=O)N1CCC[C@@H]1C[NH+](C)C	2
NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN(CC[NH3+])C[C@@H](O)CO	1
CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1	2
Cc1ccc(S(=O)(=O)NCCCC(=O)[O-])c(C)c1N(C)S(C)(=O)=O	-1
CCOC(=O)CN1C(=O)CC[C@H](NC(=O)[C@@H]([NH3+])Cc2c[nH]cn2)C1=O	1
c1ccc(C2CC2)c(OCC2=[NH+]CCN2)c1	1
[NH3+]C[C@H](CC[C@H]([NH3+])C(=O)[O-])O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	1
C[N+](C)(C)CCNC(=O)CCCCC(=O)NCC[N+](C)(C)C	2
CNC(=O)[C@@H](C)[NH3+]	1
CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccc2cccnc12	1
OCCN1CC[NH+]([C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)CC1	1
CC1(C)CC(NC(=O)CC(c2ccccc2)c2ccccc2)CC(C)(C)[NH2+]1	1
CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1	2
CN(CC(=O)NCC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1cccnc1	1
C[C@@H]([NH3+])C(=O)N(C)C	1
CC(C)[C@H](C[NH+](C)C)NS(=O)(=O)C[C@H]1CCC[NH2+]1	2
COc1cccc(NC(=O)N(CC[NH+](C)C)[C@@H](C)c2cccnc2)c1	1
CC(C)[NH2+]CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)C[NH2+]C(C)C)cc2)cc1	2
CC(C)(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COc1ccccc1	1
COc1ccc(C(=O)N2CC[NH+](C[C@@H]3CC=CCC3)CC2)cc1	1
C[N@@H+](CCCO)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1	1
CC[C@@H]1CN(C(=O)C(=O)NCC[N@@H+](C)CCOC)CC[NH+]1C[C@@H](C)O	2
CC[NH+](CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)NCCC[NH+]1CCOCC1	2
CS(=O)(=O)N1CCN(S(=O)(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)CC1	1
C[C@@H](O)C[NH2+]C1CCCCC1	1
CC(=O)O[C@H](C)CNC(=O)C[C@H]1O[C@@H](C[NH2+]CC[NH3+])[C@H]2OC(C)(C)O[C@@H]12	2
C[C@@H](NS(=O)(=O)N(C)C)c1ccccc1	0
CN1C[C@@H](C[NH+](C)C)C(O)([C@H](C(=O)N(C)C)c2ccccc2)[C@H](C[NH+](C)C)C1	2
CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1	2
CN(C)C1=NC(=O)[C@H](c2ccccc2)O1	0
NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)CNC(=O)C[NH3+])c(Cl)c1Cl	1
COc1ccc(C[NH2+]C[C@@H](O)CSc2ccc(OC)cc2)cc1	1
C[C@@H](NC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)[C@@H]1C[N@@H+](C)CCO1	2
c1ccc(-c2nc(C3OCCCO3)[nH]c2-c2ccccc2)cc1	0
C[C@@H](C[NH+]1CCCCC1)OC(=O)c1ccc2c(c1)OCCO2	1
Cc1cnc(NCC[NH+]2CC[C@@H](O)C2)nc1NCC[N@H+]1CC[C@@H](O)C1	2
COC1=C[C@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CC[N@H+]3C)CC1=O	1
Cn1c(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C#N)c(=O)n(C)c1=O	2
CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCCC[NH+]1CCCCC1	1
CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC(=O)N1CCNCC1	2
O=c1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(NCCc2ccccc2)[n-]1	-1
CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1C[NH3+]	1
CN(CCNS(C)(=O)=O)[C@H]1CCC[N@@H+](CCNS(C)(=O)=O)CC1	1
CC[NH+](CC)Cc1ccc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)o1	2
CC(=O)Nc1ccc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)cc1	2
C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)CC1	2
CN1CC[C@@H]2[C@H]1C(=O)NC[C@H](CCC(=O)N1CC[NH+](C)CC1)[N@H+]2C	2
C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@]2(N3CCOCC3)CCSC2)o1	-1
Nc1[nH+]c2ccccc2n1CCOc1ccc([N+](=O)[O-])cc1	1
COCc1cc(C)nc(N2CC[NH+](Cc3ccccc3)CC2)c1C#N	1
COCC[N@H+]1CC[C@@H](NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C1	1
COc1ccc(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1	1
Cc1ccc(S(=O)(=O)N(C)C2CC(C)(C)[NH+](C)C(C)(C)C2)cc1	1
CN(CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CCO1	1
O=C(NCC[NH2+]C1CC1)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1	1
Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC(C(N)=O)CC3)CC2)cc1	2
Cn1cc(S(=O)(=O)NCC(=O)NCCC(=O)N2CC[NH+](C)CC2)cn1	1
CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1	2
C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc(Br)cs1	2
CC(=O)Nc1ccc(C(=O)Nn2cnnc2)cc1	0
CC(=O)N(Cc1ccccc1)c1ccccn1	0
Cc1nc2ccccc2c(=O)n1C[C@H](O)CO	0
COc1cccc(N(CC(=O)NCc2ccccc2)S(C)(=O)=O)c1	0
O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1	1
CC(=O)N1CCC[N@H+]([C@@H]2COC3(CC[NH2+]CC3)C2)CC1	2
O=C(NC1CC1)C(=O)N1CCN(CCC[NH+]2CCOCC2)CC1	1
C[N+]1(C)CC[C@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1	1
Cc1ccccc1OC[C@@H](O)C[NH+]1C(C)(C)CCC1(C)C	1
N#Cc1cc(OC2CC[NH2+]CC2)c(OC2CC[NH2+]CC2)cc1C#N	2
CC(C)Sc1nnc(N)s1	0
NCC(=O)NCC(=O)Nc1ccc(NC(=O)CNC(=O)C[NH3+])c2c1C(=O)c1ccccc1C2=O	1
CC(C)(C)NC(=O)COc1ccc(C[NH2+]Cc2ccccn2)cc1	1
O=C1CCC(=O)N1CCc1c[nH]c2ccc(OCc3ccccc3)cc12	0
CCN(CC)/[N+](O)=N/O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O	1
CC[NH+](CC)Cc1cc(CN2CC[C@@H]([NH+]3CCC(O)CC3)[C@H](O)C2)ccc1OC	2
CC(C)C[NH2+]CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)C[NH2+]C(C)(C)C)cc2)cc1	2
O=C(c1ccc(F)cc1)C1CC[NH+](CCc2ccccc2)CC1	1
O=C(NCCS(=O)(=O)NCC1CCC1)[C@]12C[NH2+]C[C@H]1COC2	1
O=c1c(-c2ccccc2CN2CCOCC2)ccc2n1C[C@H]1C[C@@H]2C[N@H+](C2CCOCC2)C1	1
CNS(=O)(=O)[C@@H]1CCN(C(=O)NCCN2CCOC[C@H]2C)C1	0
COCC(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1	0
CCC(=O)NC[C@H]1C[C@@H]1c1cccc2c1CCO2	0
CCOC(=O)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc([N+](=O)[O-])cc1	0
CC[NH+](CC)CCSc1nnc2c3ccccc3n(C)c2n1	1
COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccccc1OC	0
O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Sc2nc3ccccc3[nH]2)o1	-1
O=c1c2sccc2nc2n1CCC2	0
CNS(=O)(=O)NCC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1	0
Cc1ccc2[nH+]c3c(C(=O)NCC[NH+](C)C)cccc3c(N)c2c1	2
CN(CC[NH+](C)C)[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1C[NH2+]Cc1ccc(F)cc1	2
CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N(C[C@@H](C)O)[C@@H](C)CO)CC1	1
CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C	0
CN1CCC([NH2+]C[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N(C)CC[NH+](C)C)CC1	2
CC(=O)Nc1cccc(-c2cc(=O)c3ccccc3o2)c1O	0
CNc1nc(C2CC[NH2+]CC2)nc2c1CCN(C(=O)C[NH+](C)C)C2	2
C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)C[NH+]1CCN(C)CC1	2
C1CCOC(C[NH+]2CCCC2)OC1	1
CCN(CCCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)S(C)(=O)=O	1
C[NH+](C)CCNc1ccc2c3c(nn2CC[NH3+])-c2cnccc2C(=O)c13	2
CCOC(=O)c1c(-c2ccccc2)oc2ccc(O)c(C[NH+](C)C)c12	1
O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1	0
COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1	2
C[C@@H]1[NH2+]CC[C@@H]1CO	1
Cc1ccc(C(=O)N/C(=C/c2ccccc2F)C(=O)N2CC[NH2+]CC2)cc1	1
C[NH+](C)[C@@H](CNC(=O)CN1CC[NH2+]CC1)c1ccccc1	2
C[NH2+][C@@H](CC(C)C)C(=O)N[C@H]1C[C@@](O)(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(N)=O)C[C@@H](O)[C@@H]1O	1
COCCOc1ccc(C(=O)N[C@@H]2CN(C3CC[NH+](C)CC3)CCC[C@H]2O)cc1	1
Cc1cc(S(N)(=O)=O)c2ncccc2c1	0
Nc1nc2c(cnn2CCc2ccccc2)c2nc(-c3ccco3)nn12	0
Oc1ccc(Cl)c2c1CCC2	0
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cc(C(N)=O)no1	2
C[NH+](C)CCOc1ccccc1C(=O)N1CC[NH2+]CC1	2
C[C@@H]1C[N@@H+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CCN1CCO	1
COCC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCOCC1	1
O=C(NCC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)[C@@H]1CCC[NH2+]1	2
OC[C@H]1[NH2+][C@H](CCCCCC[C@H](O)[C@@H](O)[C@H]2CCCC[NH2+]2)[C@@H](O)[C@@H]1O	2
CCOC(=O)[C@@H]1O[C@@H]1C(=O)N(CC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Cc1ccccc1	0
CSCCC[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=N[N+](=O)[O-])C(=O)NO	1
CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1	2
N#CCN(CC#N)C(=O)c1cccc(Br)c1	0
CCS(=O)(=O)NCCS(=O)(=O)N1CCN(CC[NH+](C)C)C(=O)C1	1