Nc1c(Cl)cc(C(=O)N[C@H]2C[NH+]3CCC2CC3)c2c1CCO2	1
CCNC(=O)CN1CCN(C(=O)C(=O)N(C[C@@H](C)O)[C@@H](C)CO)CC1	0
O=C(CCC(=O)Nc1ccc(F)cc1F)Nc1ccc(F)cc1	0
CC(=O)Nc1ccc(OC(=O)[C@H]2CCC(=O)N2)cc1	0
Cc1cc(=O)oc2cc(NC(=O)C[NH3+])ccc12	1
O=C1NCCN1CC[NH+]1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1	1
Fc1cccc(Cl)c1CSc1ccccc1C1=[NH+]CCCN1	1
O=C([O-])c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1	-1
CC(C)O[C@H]1C[C@@H]2CCCC[N+]2(Cc2ccccc2)O1	1
COc1ccccc1C[N@H+]1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	1
Cc1[nH+]cc(CSC(N)=[NH2+])n1Cc1ccccc1	2
c1ccc(CN2CCC([NH+]3CCCCCC3)CC2)nc1	1
CC1=C(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1	0
O=C([O-])/C=C/c1ccc(S(=O)(=O)N(CCO)CCO)cc1	-1
CN(C(=O)C[C@@H](N)c1csc(CC[NH3+])n1)[C@@H]1CNC(=NC(N)=O)NC1=O	1
COc1cccc(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1	1
O=C([O-])c1ccc(CNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1	-1
Nc1ccc([NH+]2CCCCC2)cc1	1
Cc1ccc(S(=O)(=O)[N-]NC(=S)NC[C@@H]2CCCO2)cc1	-1
Cn1c(CC(=O)c2ccc([O-])cc2O)nc2ccccc21	-1
COc1ccc(CN(C(=O)C=CC(=O)[O-])[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1	-1
COc1ccc(Nc2nc(NN)[nH+]c(OCC(F)(F)F)n2)cc1	1
CC(=O)Nc1ccc(NC(=O)C[C@@H]2OC[C@@H]3CCCCN3C2=O)cc1	0
NS(=O)(=O)NC1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)CC1	0
Cc1cncc2cccc(S(=O)(=O)N3CCC[NH2+]C[C@@H]3C)c12	1
CC(C)(C)c1[nH+]ccn1C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1	1
COc1cc(C(=O)[O-])cc(OC)c1OC(C)=O	-1
COc1ccc2cc(C(N)=O)/c(=N/c3ccc(C(N)=O)cc3)oc2c1	0
COc1ccc2[nH]c3nc(SCC[NH+](C)C)nnc3c2c1	1
Cc1nn(-c2ccccn2)c2c1C(=O)C[C@@H](c1ccco1)C2	0
c1ccc(C2=[NH+]CCCCN2)cc1	1
O=C1c2ccccc2S(=O)(=O)N1c1c(F)c(F)nc(F)c1F	0
COc1ccc(C[C@H]2[NH2+]CC[C@@]3(O)CCCC[C@H]23)cc1	1
Cc1c(C(=O)NCCC[NH+]2CCOCC2)oc2c1C(=NNC(N)=[NH2+])CCC2	2
C[C@H](CO)NC(=O)[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@@H]2[N@H+](C)C1	1
C[C@H]1CN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)C[C@@H](C(N)=O)O1	0
Nc1nc(N)c(N)c(Nc2ccc(Br)cc2)n1	0
CC(C)[NH+]1CCC(O)(CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1	1
N#Cc1ccccc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-]	0
CC(C)Oc1ccc(/C=[NH+]/CC2(c3ccccc3)CCOCC2)cc1	1
CCOC(=O)c1c(C[NH+](C)C)n(C)c2ccc(OC(C)=O)cc12	1
CC[N@@H+]1CCc2nc(N)oc2CC1	1
CC(=O)O[C@@H](COCc1ccccc1)C[N+]1(C)CCOCC1	1
CN(C/C(Br)=C/c1ccccc1)C1CC[NH+](C)CC1	1
Cc1c[nH+]c2cc(Cl)ccc2c1NCC[NH2+]CCO	2
CNC(=S)[N-]S(=O)(=O)c1cc(CCNC(=O)c2cc(Cl)ccc2OC)ccc1OC	-1
CCOC(=O)c1cn2[n-]c(=O)c(Br)c2nc1C	-1
CC1(C)CC(NCC(=O)OC2CCCCC2)CC(C)(C)[NH2+]1	1
C[N@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1	2
O=C(C[NH+]1CCCCC1)N1CCN(S(=O)(=O)c2ccccc2)C1	1
O=C1NC(=O)[C@]2(N1)c1ccccc1-c1ccc(F)cc12	0
c1ccc(CC2CC[NH+](CCN3CC[NH2+]CC3)CC2)cc1	2
Cc1cccc(N2CC[NH+](CCc3cc(C)[nH]n3)CC2)c1	1
C=C[C@@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@H](O)c1cc[n+]([O-])c2ccc(OC)cc12	1
C[C@H]1C[N@H+](C[C@@H](O)CN2CC[NH+](C[C@@H](C)O)[C@@H](C)C2)C[C@@H](C)O1	2
COc1ccccc1-n1c(C)nc2ccccc2c1=O	0
CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)[C@@H](N)CC[NH+](C)C)cc[nH+]1	2
CCOc1ccc(-c2c[nH+]c(N)nc2N)cc1	1
NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1C[NH2+]CCN1C(=O)C1CC[NH2+]CC1	2
C[C@@H](CC(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-]	-1
Brc1ccc2nc3c(n2c1)CCCC3	0
CN(CC[N+]1(C)CCCC1)C(=O)[C@](O)(c1ccccc1)c1cccs1	1
O=c1[nH]c2ccccc2n1C1=CC[NH2+]CC1	1
CCC[N@@H+](C)CCN=CNc1sc2c(c1C#N)CC(C)(C)[NH2+]C2(C)C	2
C[NH+]1CCN(c2ccc(NC(=O)c3cc4ccccc4o3)cc2)CC1	1
Cc1[nH+]ccn1CCCN1C(=O)CNC1=S	1
Cc1ccc(C[N+]23CC[N+](Cc4ccc(C)cc4)(CC2)CC3)cc1	2
CC(C)c1cc(I)ccc1NC(=O)CSc1nc(N)cc(N)[nH+]1	1
O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccco1	1
[NH3+]Cc1ccc(N2CC[NH+](CCO)CC2)cc1	2
Nc1ncnc2[nH]c(SCC[NH+]3CCCCC3)nc12	1
CC[N@H+]1CCC[C@H](N2C(=O)OC(C)(C)[C@@]2(C)O)C1	1
O=C(CC[NH+]1CCCC1)NC[C@@H]1OCCc2ccccc21	1
COC[n+]1cccc([C@@H]2CCC[N+]2(C)C)c1	2
C[C@@H](Cc1ccc(F)cc1)[NH2+]C1CCC(O)CC1	1
CC(C)(C)NC(=O)CN1C(=O)c2ccccc2C1=O	0
C[NH+]1CCN([C@@]23CCCCC2=Cc2cc([N+](=O)[O-])ccc2O3)CC1	1
CCCN(CC(=O)N[C@H](C=O)CCCNC(N)=[NH2+])C(=O)[C@H]1CCCC[NH2+]1	2
Cn1c(N2CC[NH2+]CC2)nc2ccccc21	1
COC(=O)c1ccc(NC(=O)c2cc[n+](Cc3ccccc3)cc2)cc1	1
C[C@@H]1C[C@@H]([N@H+]2CNc3c(c(=O)n(C)c(=O)n3C)C2)CC(C)(C)C1	1
C[NH+](C)CC(=O)Nc1ccc(Cl)cc1	1
OC1CC[NH+](Cc2ccc(F)c(F)c2)CC1	1
COc1ccc(C[NH+]2CCSCC2)c(OC)c1C	1
C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(CC(N)=O)C(=O)C1	2
CCC[N@@H+]1CCc2cc(O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3	1
O=[N+](Cc1ccco1)c1ccccc1	1
COc1ccc2c3c1O[C@@H]1C[C@H](O)C=C[C@@]31CC[N@H+](C)C2	1
CC(C)OC(=O)c1c(N)sc2c1CC[C@@H](C)C2	0
CC(C)(C)N(O)C=C1C=C[N+](=O)C=C1	1
CC[NH+](CC)CCn1nc2c(c1C)c(=O)c1cc(OC)ccc1n2C	1
COC1=C[C@]23CCC[N@H+]2CCc2cc4c(cc2[C@@H]3[C@H]1O)OCO4	1
O=[N+]([O-])c1ccc(CN2CC[NH+](C[C@@H]3CC=CCC3)CC2)cc1	1
CN(C(=O)Cc1cccc2sccc12)[C@@H]1CCCC[C@H]1[NH+]1CCCC1	1
NS(=O)(=O)N1CCC(C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)CC1	0
C[NH+]1CCN(c2nsc3nc4ccccc4n23)CC1	1
CC(C)NC(=[NH2+])NC(=[NH2+])NCCNc1cccc2cccnc12	2
COc1ccc(CCNC(=O)[C@@H]2CCCO2)cc1OC	0
Fc1ccc(N2C[C@H]3C[C@@H]2C[NH2+]3)cc1	1
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2	1
Cc1cc(C)[n+](-c2ccccc2)c2cc(-c3ccccc3)nn12	1
CN1c2cc(F)ccc2C(c2ccccc2)=[NH+]C[C@@H]1CNC(=O)c1ccoc1	1
O=C(c1ccccc1)N1CC[NH+](CC2CC[NH2+]CC2)CC1	2
NC(=[NH2+])NCCC[C@@H]1NC(=O)c2cc([N+](=O)[O-])cc(F)c2NCCCC[C@@H](C(N)=O)NC(=O)CNC1=O	1
CNS(=O)(=O)NC1CCN(C(=O)CNC(=O)c2ccncc2)CC1	0
NC(=O)CN1CCN(C(=O)CNS(=O)(=O)c2cccnc2)CC1=O	0
C[NH+](C)Cc1coc2ccccc2c1=O	1
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](NC(=O)[C@@H]([NH3+])Cc2ccccc2)[C@H]1O	1
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccc(Cl)c3)cc2)n1	-1
Nc1c(Br)cc(Br)cc1C(=O)[O-]	-1
O=C(CNC(=O)c1ccc(Cl)cc1)NO	0
COC(=O)[C@@H](Cc1ccc(O)c(O)c1)/[NH+]=C/c1ccc(N(C)C)cc1	1
CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	0
C[C@@](O)(CNC(=O)NC1CC[NH+](C2CC2)CC1)C[NH+]1CCOCC1	2
O=C([O-])CC1(CC(=O)Nc2ccc(F)cc2)CCCC1	-1
O=[N+](Cc1c[nH]c2ccccc12)c1ccccc1	1
Clc1ccc(-c2noc(C[NH+]3CCCC3)n2)cc1	1
Cc1ccc(N2CC[NH+](CCCN3C(=O)[C@@H]4CCCN4C3=O)CC2)cc1	1
C[NH+](C)C[C@@H](O)CN1C(=O)N(CN2C(=O)N(C[C@@H](O)C[NH+](C)C)C(=O)C2(C)C)C(C)(C)C1=O	2
COc1nc(NCc2cccnc2)nc(N2CCC(C)CC2)n1	0
C[NH+](C)Cc1ccc(C(O)(c2ccccc2)c2ccc(C[NH+](C)C)cc2)cc1	2
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC1CC[NH+](CCO)CC1	2
C[C@@H](O)[C@@H](O)c1ccc(C#N)nc1	0
COC(=O)C1[C@@H](c2c[nH]c3ccccc23)[C@@H](C(=O)OC)O[N+]1=O	1
COc1ccc([C@@H](C(N)=O)[NH+]2CCCC2)cc1	1
COc1cc2c3c(c4ccc(OC)c(OC)c4c2cc1OC)C[N@@H+]1CCC[C@H]1C3	1
[NH3+][C@@H](Cc1ccc(O)cc1)C(=O)NO	1
O=C([O-])C[C@@H](NC(=O)c1cccs1)c1ccc(Cl)cc1	-1
NC(=[NH2+])Nc1nc2ccc(Cl)cc2[nH]1	1
CN1CCC([NH2+]CCc2ccccc2)CC1	1
O=C([O-])Cc1nn(CC(=O)Nc2cccc(F)c2)c(=O)c2ccccc12	-1
NC(=[NH2+])NC(=[NH2+])Nc1ccccc1C(F)(F)F	2
c1ccc(-n2ncc3c(N4CC[NH2+]CC4)ncnc32)cc1	1
CS(=O)(=O)N1CCN(CCNC(=O)NCC(=O)N2CCOCC2)CC1	0
COc1ccc2[nH]cc(C[C@@H]3CCC[N@H+]3C)c2c1	1
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NC1CCCCC1	0
Cc1ccc(C2(C[NH+]3CCC(NS(C)(=O)=O)CC3)CC[NH2+]CC2)nc1	2
NS(=O)(=O)c1ccc2c(c1)C=CS2(=O)=O	0
Cn1ncc(NC(=O)c2ccccc2)c1C(N)=O	0
OCC[NH+](CCO)Cc1ccc(Cl)c(Cl)c1	1
CS(=O)(=O)c1ccc2nc(NC(=O)/C=C/C(=O)[O-])sc2c1	-1
C[NH+](C)CCc1c[nH]c2ccc(C[C@@H]3COC(=O)N3)cc12	1
COc1cc2c(cc1O)C[C@@H]1c3c(cc(O)c(OC)c3-2)CC[N@@H+]1C	1
C[C@@H]1Cc2scc[n+]2-c2ccccc2N1C=O	1
CCOC(=O)c1nnn2c1nc(N1CC[NH+](C)CC1)c1ccccc12	1
COc1ccccc1C1(O)CC[NH+](Cc2ccccc2)CC1	1
Cc1nc2c(c(N3CC[NH+](CCC(N)=O)CC3)n1)CC[N@@H+](C)CC2	2
CCOC(=O)c1c(C[NH2+]C(C)C)oc2ccc(OC)cc12	1
COc1ccc(C[NH2+]C[C@@H](O)COc2ccc(C)cc2[N+](=O)[O-])cc1	1
C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CC[NH2+]2	1
CCOC(=O)CC1=CSC2=NCCN12	0
OCC[NH2+]CCNc1c2ccccc2[nH+]c2ccccc12	2
Cn1cc(C(=O)N2CCC[C@H]([NH+](C)C)C2)c2ccccc21	1
O=c1cc(CO)oc(CN2CCN(c3ccccc3)CC2)c1O	0
C[NH+](C)CCc1c[nH]c2ncccc12	1
C[NH+]1CCC(O)(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)o2)CC1	1
COc1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1	1
COc1ccccc1OCC[N@@H+](C)CCC[C@@]1(C#N)CCOc2ccccc21	1
C[NH+](C)CCNS(=O)(=O)c1ccc(N)cc1	1
Cn1cc(S(=O)(=O)NCC(=O)N[C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)cn1	1
CNS(=O)(=O)c1ccc2nc(NC(=O)c3ccco3)sc2c1	0
CCOC(=O)N1CCN(C2CC[NH+](CC)CC2)CC1	1
Cn1cccc1-c1ccccc1NCC1=[NH+]CCN1	1
O=C1CN(c2ccccc2F)C(=O)N1	0
C[N+](C)(C)c1nc(N2CCOCC2)nc(N2CCOCC2)n1	1
O[C@H](C[NH2+]Cc1ccc2c(c1)OCO2)CSc1cccs1	1
CCOC(=O)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1	1
CCOC(=O)CN1N[C@@](CC)(c2ccccc2)NC1=S	0
C[NH+](C)C[C@@H]1C[C@@H](O)[C@H](C[NH+](C)C)C[C@@H]1O	2
CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+]([C@@H](C)Cc1cccnc1)CC2	2
Cc1ccc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)C2)cc1	1
Cc1cc([N-]C(=O)c2ccc([N+](=O)[O-])o2)no1	-1
CC(C)CCn1nnnc1[C@@H](C(C)C)[NH+]1CCC(C(N)=O)CC1	1
COc1cc2c(cc1OC)[C@H]1CC(=O)[C@H](CC(C)C)C[N@H+]1CC2	1
COCCOCCNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1	0
NC(=[NH2+])NCC[C@H](O)[C@@H]1O[C@H](Oc2ccc3c(c2O)C(=O)c2ccccc2C3=O)[C@@H](O)[C@H](O)[C@H]1O	1
Cn1cc(CC[NH+]2CCN(c3ccccc3Cl)CC2)cn1	1
O=c1[nH]n(-c2ccc(F)cc2)n[o+]1	1
CC[N+]1(CC)C[C@@H](C)O[C@@](O)(c2ccc(Cl)cc2)C1	1
[NH3+]Cc1ccc(-c2ccccn2)s1	1
NC(=O)c1cc[n+](CCC[n+]2ccc(/C=N/O)cc2)cc1C(N)=O	2
CN(C)C(=O)CSc1nnc([C@@H]([NH3+])Cc2ccccc2)o1	1
CC[N@@H+](CCCC1CC[NH+](CC(=O)NC(N)=O)CC1)CC(=O)NC(N)=O	2
C=CCN(C1=[NH+]CCN1)c1c(Cl)cccc1Cl	1
Cn1c(=O)c2c(ncn2CC(=O)NCc2ccco2)n(C)c1=O	0
C[N+]1(C)CCO[C@@](O)(c2ccc(F)cc2)C1	1
CNc1nc(NCC[C@@]2(O)CCOC2)[nH+]c(NCC[C@@]2(O)CCOC2)n1	1
c1ccc(Cc2ccc(OCC[NH+]3CCCC3)nc2)cc1	1
COc1ccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1OC	-1
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nncs2)cc1	-1
NC(=[NH2+])NN=C1CCOc2ccc([N+](=O)[O-])cc21	1
C=CCN1C(=O)NC(=O)C(=C(CC)NCCN2CC[NH2+]CC2)C1=O	1
NC(=O)C1CC[NH+](CC2CCCCC2)CC1	1
CCNS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1	2
CC1(C)C(c2ccccc2)[N+](=O)CN1O	1
O=C([O-])c1cc(=S)c2ccc(Cl)cc2[nH]1	-1
N#Cc1ccc(Cn2c(-c3nonc3N)nc3ccccc32)cc1	0
CC1CC[NH+](CCC(=O)Nc2ccc(F)cc2)CC1	1
CN(c1ncccc1C#N)C1CC[NH+](Cc2ccccc2)CC1	1
CC(C)(C)C(=O)N[C@@H](n1cc(F)c(=O)[n-]c1=O)C(Cl)(Cl)Cl	-1
Cn1cccc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1	0
C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1	2
Cn1nccc1[C@H](OCC[NH+](C)C)c1cccs1	1
C[C@@H]1[C@@H]([NH3+])CN1c1c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c2c1F	0
CC1(C)CC(Nc2c(Cl)cc(Cl)c[n+]2[O-])CC(C)(C)[NH2+]1	1
O=S(=O)(CCO)c1no[n+]([O-])c1-c1ccccc1	0
C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cn4ccccc4n3)C2)CC1	2
C[NH2+]Cc1cc2ccccc2s1	1
Clc1ccc(Oc2ccccc2C2=[NH+]CCN2)cc1	1
CC(C)[N@H+]1CCC[C@H](c2cccc(C#N)c2)C1	1
c1cncc(N2CC[C@H]3C[NH2+][C@H]3C2)c1	1
COc1ccc([C@H](O)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1	1
Cc1cccc(C)c1NC(=O)c1ccc[nH]c1=O	0
Cn1cnn(-c2ccc(NC(=O)C(=O)NCC[N@H+]3CC[C@H](O)C3)cc2)c1=O	1
CC1(C)CC(NC(=O)c2scc3c2OCCO3)CC(C)(C)[NH2+]1	1
Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1	1
CSc1ccc([C@@H](O)[C@@H]([NH3+])CO)cc1	1
CCOC(=O)[C@H]1CCC[N@@H+](C/C=C/c2ccc(N(C)C)cc2)C1	1
C[C@@H](C(=O)NN1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1	1
CC1(C)NC(=[NH2+])NC(=N)N1c1cccc(C(F)(F)F)c1	1
COc1ncnc(N(C)C)c1NC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1	0
COc1cccc(OC)c1C(=O)N1CCOCC1	0
NC(=O)c1cc(-c2ccccc2)sc1NC(=O)CN1CCCC1	0
CCOC(=O)c1c(C)n(C)c2ccc(O)c(C[NH+]3CCCCC3)c12	1
C[NH+](C)CCNC(=O)c1cc(-c2ccco2)nn1-c1ccccc1	1
COc1ccc(OC)c(C[N@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)c1	1
C1=[NH+]CCCN1Cc1cccnc1	1
COc1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1C	1
c1nc(CC2CC[NH2+]CC2)c[nH]1	1
C[N@H+]1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	1
C[C@@H]1C[C@H](OC(=O)[C@H](O)c2ccccc2)CC(C)(C)[N@H+]1C	1
C[C@@H]1CC[N@H+](C(C)(C)C)CC1=O	1
CCC(=O)Nc1ccc(C(=O)NN2C(=O)c3ccccc3C2=O)cc1	0
CN(C)C(=O)c1cccc(NC(=O)NCc2cccc(N3C(=[NH2+])NC(=[NH2+])NC3(C)C)c2)c1	2
Cc1ccccc1C[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H](C)O)CC2)CC1	2
O=C1c2ccccc2C(=O)c2c1cn1c2Cc2ccccc2C1	0
CC[NH+](CC)CC(=O)Nc1ccc2c(c1)Nc1ccccc1CC2	1
Cc1cc(Cc2c[nH+]c(N)nc2N)c2cccnc2c1N(C)C	1
CC(C)C[N@H+]1CCN2C(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H]2C1	1
NC(=[NH2+])c1ccc(-n2nc3ccc(C(N)=[NH2+])cc3n2)cc1	2
C[NH+]1CCN(c2nc(-c3ccccc3F)nc3ccccc23)CC1	1
O=c1cc(I)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	0
CC(C)Nc1ccc[nH+]c1N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1	1
C[NH+](C)[C@@H](c1cccnc1)C1COCOC1	1
C[NH+](C)CCO[C@@](C)(c1ccccc1)c1ccccn1	1
CC(C)[NH2+]C[C@@H](O)CC(c1ccccc1)c1ccccc1	1
Cc1cc(/C=C/c2ccccc2OC[C@H](O)C[NH2+]C(C)(C)C)on1	1
CC1(C)OC(=O)N(c2ccccc2)/C1=C\C[N+](C)(C)C	1
C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)CC1	2
O=S1(=O)N=C(N2CC[NH2+]CC2)c2ccccc21	1
C[C@@H](C[NH2+]C1CC[NH+](C)CC1)c1ccccc1	2
Cc1ccc[n+](Oc2ncccc2N)c1	1
c1cncc([C@@H]2OC[C@@H](C[NH+]3CCCCC3)O2)c1	1
O=C1CS[C@@H](c2cccc([N+](=O)[O-])c2)N1CC[NH+]1CCCCC1	1
N=C(NC(N)=[NH2+])Nc1ccccc1Br	1
C[NH+](CCCNC(=O)c1ccccc1Br)CCC[N@@H+](C)Cc1ccccc1	2
COc1ccc(Cl)cc1-c1nc(N)nc(NN2CCCCC2)[nH+]1	1
NS(=O)(=O)c1ccc(NC(=O)c2cnc3ccccn3c2=O)cc1	0
c1ccc(-c2nsc(N3CC[NH2+]CC3)n2)cc1	1
CCNC(=O)NC(=O)C[NH+]1CCC(C[N@H+]2C[C@H](C)O[C@H](C)C2)CC1	2
CCS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CS(=O)(=O)CCO2)[C@H](C)C1	0
Cc1ccc(Cl)cc1NC(=S)Nc1cnccn1	0
CCc1ccc(OCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1	1
C[NH+](C)C(C)(C)CNC(=O)CS(=O)(=O)CC(=O)NCC(C)(C)[NH+](C)C	2
Cc1csc2c(NN)[nH+]cnc12	1
O=C(C[NH+]1CCC(c2c[nH]c3ccccc23)CC1)Nc1ccccn1	1
C[N@H+]1[C@H]2CC[C@@H]1CC([NH2+]C1CCCCC1)C2	2
O=C(N[C@@H]1C[NH2+]CCC[C@H]1O)c1ccc(OCC[NH+]2CCCC2)cc1	2
CC1=CC(=O)Cc2cc(NC(=O)[C@@H]([NH3+])CCC[NH3+])ccc21	2
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/N1CCOCC1	-1
Cc1ccc[n+](CCC[n+]2cccc(C)c2)c1	2
C1CC[NH+](C[C@@H]2COC3(CCCC3)O2)C1	1
Fc1ccccc1CSC1=[NH+]CCN1	1
NC(=O)C1CC[NH+](CC(=O)N2N=CC[C@@H]2c2ccccc2)CC1	1
Cn1cccc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1	2
O=c1/c(=C/c2ccco2)sc2nnc(-c3ccccc3)n12	0
C[NH+](C)CCOc1ccccc1-c1nc(-c2ccccc2)no1	1
C[NH2+]CCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1F	2
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCNC3=O)cc2)n1	-1
[NH3+]CCOc1ccc2oc3ccc(OCC[NH3+])cc3c(=O)c2c1	2
O=C1N[C@@H](c2cc([N+](=O)[O-])ccc2F)Oc2ccccc21	0
COCC[NH+]1CCC(NC(=O)C(=O)NCCCC[NH+]2CCOCC2)CC1	2
C[C@@H]1C[C@@H](CCC(=O)NC(=S)Nc2ccc(Cl)cn2)C(=O)O1	0
Cn1c2ccccc2c2cc3ccccc3c[n+]21	1
c1ccc2c(c1)CCC2=NNC1=[NH+]CCN1	1
O=C(Cc1ccccc1)NC(=S)Nc1ccc(C(=O)[O-])c(Cl)c1	-1
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)C(=O)[O-])CC2)cc1	-1
O=c1[nH]c(=O)n(C[C@@]2(CO)C[C@@H]2CO)cc1C=CBr	0
Cn1c(-c2ccc(NS(C)(=O)=O)cc2)c[n+]2ccccc12	1
c1cnn(-c2cc(-n3cccn3)ncn2)c1	0
O=C([O-])CNC(=O)c1ccc(NC=C2C(=O)NC(=S)NC2=O)cc1	-1
[NH2+]=C1NC(Nc2cccc(F)c2)=NC2(CCCCC2)N1	1
COc1ccc(OC[C@@H](O)Cn2c(C)nc3ccccc32)cc1	0
C[C@H](NC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	-1
Cc1ccc(C(=O)O[C@@H]2C[NH+]3CCC2CC3)cc1	1
CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCC(=O)N[C@@H]2C)CC1	0
C[NH+](C)C[C@@]1(c2ccccc2)CC[N+](C)(C)C1	2
C[C@@H]1CCC[N@H+](C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1	1
Cc1n[nH]c(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1	0
CCN1[NH+]=C(C)C=C(C)n2c1nc1ccccc12	1
COC(=O)[C@@]1(O)C[NH+]2CCC1CC2	1
O=C1N=C(N2CCOCC2)S/C1=C/c1cccc([N+](=O)[O-])c1	0
COc1ccc([C@@H]2SCC(=O)N2C[C@@H](O)c2ccccc2)cc1	0
COCC(=O)N1C[C@@H]2CN(CCO2)C(=O)[C@@H]2C[C@@H](C[N@@H+]2CC2CC2)NC(=O)C[C@@H]2O[C@H](C1)[C@@H](O)[C@H]2O	1
CNC(=S)NCC[NH+]1CCCCC1	1
Cc1[nH]c(=O)sc1S(=O)(=O)NCCNC(=O)[C@@H]1C[N@@H+]2CCCN1CC2	1
NS(=O)(=O)c1ccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@@H]3C=C[C@H]2C3)cc1	-1
N#Cc1ccc(C[NH+]2CC3(CC[NH2+]CC3)C2)cc1	2
O=C(NCC[NH+]1CCCC1)C1c2ccccc2Oc2ccccc21	1
NC(=[NH2+])c1cc(Cl)c(Cl)cc1C(N)=[NH2+]	2
O=C(NCC[n+]1ccc2ccccc2c1)c1ccccc1	1
OC1C[C@@H]2CC[C@H](C1)[N@H+]2CCc1ccccc1	1
CC[NH+]1CCN(c2nc(C)nc3c2sc(=S)n3C)CC1	1
Cc1cnc(C(=O)N[C@@H]2CCc3ccccc3C2)cn1	0
[NH3+][C@@H](Cc1ccccn1)c1ccccc1	1
COc1ccc2c3c1O[C@@H]1[C@H](O)CC=C[C@@]31CC[N+](C)(C)C2	1
C[N+](C)(Cc1ccccc1)Cc1sc(Cl)c(Cl)c1Cl	1
N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1ccncc1	0
Cc1cc(C)c(-c2c(O)[n+]3c4n(c2=O)CCCN4CCC3)c(C)c1	1
O=C(NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(F)cc1	0
NS(=O)(=O)N1CCN(CCCN2CCN(S(N)(=O)=O)CC2)CC1	0
COc1cc[n+](OC(=O)N2CCCCC2)c(C)c1	1
CC(=O)c1cccc2c1S(=O)(=O)c1ccccc1O2	0
[NH3+]Cc1ccc(F)cc1C(F)(F)F	1
C=CCN1C(=O)/C(=C/c2ccccc2OCC(=O)OCC)C(=O)[N-]C1=S	-1
C[N+]1(CC#CC[N+]2(C)CCCC2)CCCC1	2
Cc1cc(C)cc(NC(=O)CSc2nc(C)cc(C)n2)c1	0
O[C@@](c1ccccc1)(c1cccs1)[C@@H]1C[NH+]2CCC1CC2	1
CCc1ccc(-c2cn3c(n2)SCC3)cc1	0
CC[NH+](CC)CC[NH+]=C1CCCc2ccccc2N1	2
COc1cc(C[NH+]2CCCCCC2)c([N+](=O)[O-])cc1OC	1
CC(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1	0
CC[N@H+]1CCC[C@H]1CNc1ncnc2c1[nH]c1ccc(OC)cc12	1
C[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1	1
CC[NH+](CC)CCc1c(C)c2ccc(O)cc2oc1=O	1
Cc1ncc(CO[C@H](O)C(=O)[O-])c(CO)c1O	-1
O=C([O-])c1cc(=O)c2c(I)cc(Cl)cc2[nH]1	-1
C[NH+]1CCN(c2ccc(C(=O)c3ccc(F)cc3)cc2)CC1	1
C[NH+](C)CCNc1cnn(-c2ccccc2)c(=O)c1Cl	1
Cc1cc(NS(=O)(=O)Cc2ccccc2)ccc1Br	0
Cn1cccc1C(=O)NC(=O)Cn1nc(C(=O)[O-])c2ccccc2c1=O	-1
C[N@H+]1CC[C@@]23CCCC[C@H]2[C@@H]1Cc1ccc(O)cc13	1
O=C1c2cccc3cccc(c23)N1C[NH+]1CCCCC1	1
Cc1nn(C)c2c1C(c1cccc(Cl)c1)=[NH+]CCN2	1
CC(C)[C@H]([NH3+])C(=O)N1CCCC1	1
C=CCN1C(=O)NC(=O)C(=C(C)NCC[NH+](C)C)C1=O	1
CCc1cccc2cc([C@@H](O)C[NH2+]C(C)(C)C)oc12	1
[NH3+]CCC[N@@H+]1C[C@@H]2C[C@@H](Cn3c2cccc3=O)C1	2
Cn1c(=O)c2c(ncn2C[C@@H](O)C[NH+]2CCCC2)n(C)c1=O	1
CCOC(=O)N1CC[NH+](C[C@@H]2CC=CCC2)CC1	1
O[C@@H](COc1ccc2c(c1)CCC2)C[N@H+]1CCc2ccccc2C1	1
O=C(NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1	1
COC(=O)C[C@@H]([NH3+])c1ccccc1	1
O=C1C=C(NCc2ccccc2)CC1	0
O[C@@]1(c2ccccc2)CN2CCCCCC2=[N+]1c1ccc2c(c1)OCCO2	1
CC(C)(C)[NH2+]C[C@@H](O)c1ccc(O)c(CO)n1	1
O=c1c2ccccc2nc(C[n+]2ccccc2)n1-c1ccccc1	1
C[NH+](C)CCn1cc2[nH]c([C@@H]3CCC[N@H+]3CC(N)=O)ccc-2c1=O	2
CC(C)C[NH2+]CC1OCc2ccccc2CO1	1
CC(C)/C=c1\[nH]c(=O)/c(=C\c2ccccc2)[nH]c1=O	0
O=C1C=C(N2CCOCC2)C2(CCCCC2)O1	0
O=C(c1c[nH]c2ncccc12)N1CCc2ccccc21	0
Cc1ccc(C(=O)CC[NH+](C)C)o1	1
CC[N@H+]1CCC[C@@H](NC(=O)c2cc(NC)ccc2OC)C1	1
Cc1sc(NC(=O)c2ccccc2)c(C(=O)NCC[NH+](C)C)c1C	1
CN1CC[NH+](CCCNC(=O)C(=O)Nc2c[nH]c(=O)[nH]c2=O)CC1	1
COc1ccc(N2CC[NH2+]CC2)cc1	1
COc1ccc(CNc2[nH]c3ccccc3[nH+]2)c(OC)c1	1
O=C(NCC[NH+]1CCCC1)[C@@H]1CC(=O)N(C2CCCCC2)C1	1
CC[NH+]1CCN(c2ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc2)CC1	1
CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(OC)cc1OC	0
CN(C)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1	0
CCOC(=O)c1ccc(Nc2cc(C)[nH+]c(N3CCOCC3)n2)cc1	1
COC(=O)Cn1c(=N)n(CC[NH+]2CCCCC2)c2ccccc21	1
COc1cc(CC2=[NH+]CCN2)cc(OC)c1OC	1
c1nncn1[NH+]=C1CCCCC1	1
Oc1c(/C=[NH+]/N2CCOCC2)cc2c3c1CCCN3CCC2	1
C=CCNC(=[NH2+])SCCSC(=[NH2+])NCC=C	2
Cc1ccccc1C[N@H+](C)C1CC[NH+](C)CC1	2
Cc1ccc(C)c(C[NH+]2CCC(C(N)=O)CC2)c1	1
CCCN1CCC([NH2+]C2CC2)CC1	1
C[C@H]1C[C@@H](OC(=O)c2ccco2)[C@H](C)C[N@H+]1C	1
CC(=O)N(C)c1cccc(C[NH3+])c1	1
CCOC(=O)Cn1c2c(c(=[NH2+])c3c1CCC3)CCC2	1
COc1ccc(C(=O)N2CCC([NH+]3CCC(C)CC3)CC2)cc1	1
Cn1c(=O)n(C)c2cc(C=C3C(=O)[N-]C(=S)NC3=O)ccc21	-1
O=C([O-])/C=C/c1nc(-c2ccccc2)n2ccccc12	-1
CC(C)NS(=O)(=O)N1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1	0
CN1C(=S)SC(C)(C)[C@@H]1[N+](=O)Cc1ccccc1	1
Clc1ccc2nc(N3CC[NH2+]CC3)nc(-c3ccccc3)c2c1	1
CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1	1
CC[NH+](CC)c1ccc(N)c(C)c1	1
O=C(c1ccco1)N1CC[NH+](CCc2ccccc2)CC1	1
O=C(CCN1C(=O)N[C@H]2CS(=O)(=O)C[C@@H]21)N[C@@H]1CCS(=O)(=O)C1	0
COc1cc(NC(=O)Oc2ccccc2)ccc1C#N	0
O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2cccc(O)c2)C1	1
COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3Cc1ccc(OC)c(OC)c1	1
CN(C)c1ncnc2c1ncn2Cc1ccccc1	0
COc1cc(C[NH2+]Cc2ccccc2)cc(OC)c1OC	1
CCCc1nnc2c(N3CC[NH+](C)CC3)nc3ccc(Cl)cc3n12	1
[NH3+][C@@H]1[C@@H](OCc2ccccc2)O[C@@H](CO)[C@H](O)[C@@H]1O	1
COc1cccc(C(=O)N2CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1OC	1
CC[NH+]1CCC([NH2+]CCc2ccc(F)cc2)CC1	2
C[NH+]1CCN(c2c3c(nc4ncnn24)CCC3)CC1	1
C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1	1
C[N@H+](c1ccncc1)n1ccc2ccccc21	1
C[NH+]1CCN(c2ccc(C(F)(F)F)cc2N)CC1	1
CC1CC[NH+](C[C@@H](O)COCc2ccc(Cl)cc2)CC1	1
[NH3+]CC(=O)NCC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	1
CCC[N@H+](c1ccncc1F)n1cc(C)c2cc(OC(=O)NC)ccc21	1
CCC1CCC([NH+]2CCN(c3ccc(Cl)cc3)CC2)CC1	1
Cc1ccc2c(C(=O)C[NH+](C)C)c(C)[nH]c2c1	1
C[NH+](C)CC(=O)c1c[nH]c2ccccc12	1
CC[NH+](CC)CC(=O)c1c(C)[nH]c2ccccc12	1
C1CC[NH+](CCSCC[NH+]2CCCCC2)CC1	2
CC[NH+](CC)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(C)C3=O)c2C)cc1	1
CC(=O)Oc1ccc2cc(C(=O)[O-])c(=O)oc2c1	-1
CC1CCC(NC(=O)[N-]S(=O)(=O)c2ccc(CCNC(=O)N(C)c3ccccn3)cc2)CC1	-1
CC(CO)(CO)NS(=O)(=O)c1ccc(Cl)cc1	0
COC(=O)c1csc2c(C(F)(F)F)cc(N3CC[NH2+]CC3)nc12	1
O=C(Nc1nnc(C(F)(F)F)s1)c1c(F)cccc1F	0
NC(=O)[C@@H]1C[C@@]2(NC(=O)NC2=O)c2cc(F)ccc2O1	0
CNS(=O)(=O)[C@@H]1CCN(C(=O)NCCC(=O)N2CCOCC2)C1	0
N#CC(CCN1CCC(C(N)=O)([NH+]2CCCCC2)CC1)(c1ccccc1)c1ccccc1	1
C[N+]12CCC(CC1)[C@@H]([C@@](O)(c1ccccc1)c1cccs1)C2	1
Oc1ccccc1-c1nnco1	0
CN(C)c1cc(NC(=O)C[NH+]2CCCCC2)c2ccccc2n1	1
Cc1csc(NC(=O)C[NH2+]C2CC2)n1	1
C[NH2+][C@@H](C)Cc1cc2c(cc1O)OCO2	1
c1ccc2oc(-c3ccncc3)cc2c1	0
COC(=O)[C@@H]1[C@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1[N@@H+]2C	1
O=[N+]([O-])c1cccc([C@@H]2CN3CCSC3=[NH+]2)c1	1
COc1cccc(C[NH2+]Cc2ccc3c(c2)OCO3)c1	1
CC(C)[N@H+]1C[C@H]2C[C@H](CN(C(=O)c3ccccc3)C2)C1	1
O=C(Nc1ccc2ccccc2c1)[C@H]1C[C@@H](O)C[NH2+]1	1
COC(=O)c1[nH]c2ccccc2c1NC(=O)C[N@@H+](C)C1CCCCC1	1
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC(N2CC[C@@H](O)C2)C1	0
CCc1ccccc1NC(=O)[C@@H]1C=C(O)NC(=[NH2+])S1	1
CC(C)C[C@H]([NH3+])C(=O)N1CCOCCOCCOCC1	1
COc1cccc(N2CC[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)c1	1
OC(C[NH2+]C1CCCCC1)C[NH2+]C1CCCCC1	2
Cc1cc2nc(Sc3c([N+](=O)[O-])ncn3C)[nH]c2cc1C	0
COC(=O)C1CC[NH+](Cc2cccc(F)c2)CC1	1
CC(=O)Nc1nc(SCc2ccc([N+](=O)[O-])cc2)n(C(C)=O)n1	0
CC[NH+](CC)CCn1c(=N)n(CC(=O)OC)c2ccccc21	1
O=C1CCC(=O)N1OC(N1CCCC1)=[N+]1CCCC1	1
COc1cc(C)nc(-n2cccn2)n1	0
COc1cc2[nH+]c(N3CCc4c(ccc5ccccc45)C3)nc(N)c2cc1OC	1
c1ccc(C(Cc2noc(CC[NH+]3CCCCC3)n2)c2ccccc2)cc1	1
CNc1nc(N[C@@H]2CCOC[C@@H]2O)[nH+]c(N[C@@H]2CCOC[C@@H]2O)n1	1
C[C@@H]1CN(C2CC(C)(C)[NH2+]C(C)(C)C2)CCC1=O	1
CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1	0
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@]2(C)[C@@H]1CC[C@]2(O)C(=O)CO	0
C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(O)c(O)c2)N3)C1	1
CC1(C)[NH+]=C(N)NC(NCCCOc2ccc([N+](=O)[O-])cc2)=[NH+]1	2
COC(=O)c1c(NC(=O)C[NH+]2CCCCCC2)sc2c1CC[C@@H](C)C2	1
Clc1ccc(-c2noc(C3CC[NH2+]CC3)n2)cc1	1
O=C(CC[C@H]1CCC[N@@H+](Cc2ccco2)C1)N1CC[NH+](Cc2ccccc2)CC1	2
CS(=O)(=O)NC1CN(C(=O)CSCC(=O)N2CCOCC2)C1	0
CC1(C)CC(/N=C/c2ccccc2O)CC(C)(C)[NH2+]1	1
COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1OC	0
Cc1ccc2c(c1)O[C@H]1[C@H](NC(=O)CCN3CC[NH+](C)CC3)C(=O)CC[C@@]21C	1
CC[NH+](CC)Cc1c([O-])ccc2c(C)cc(=O)oc12	0
COc1ccc(CCN2C(=O)N(CC[NH+](C)C)C(=O)C23CC[NH+](C)CC3)cc1	2
Nc1nc(N)c(Cc2ccc3c(c2)OCO3)c[nH+]1	1
CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC	0
Nc1ccc2nc3c4c(nccc4c2c1)-c1ncccc1C3=O	0
CCn1c(NCC[NH+](C)C)nc2c1c(=O)n(C)c(=O)n2C	1
CCOc1cc(C[NH+]2CCC(C(=O)NCC(C)C)CC2)ccc1O	1
c1ccc2c(c1)CSc1ccccc1[C@@H]2CNC1=[NH+]CCN1	1
CCOC(=O)c1c(C[N@H+]2CCCC[C@H]2C)oc2ccc(OC)cc12	1
Cc1cccc(OCC(=O)N2CC[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)c1	1
Cc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CC[NH3+])[C@@H](O)[C@H]1O	1
Cn1cc(I)c(C(=O)[O-])n1	-1
C=C(C)C[C@@H]1C(Br)=CCC[N+]1(C)C	1
C[C@@](O)(CNC(=O)NC[C@H]1CCCN1S(C)(=O)=O)C[NH+]1CCOCC1	1
CN(N)c1ccc(C(F)(F)F)c[nH+]1	1
O[C@@H](CC1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1	1
O=C(CC[NH+]1CCCCCC1)Nc1cccc(F)c1	1
COc1ccccc1-n1cc(-c2ccccc2)[n+]2c1SC[C@@]2(O)c1ccccc1	1
C[C@@H]1OCCN(C(=[NH2+])NC(N)=[NH2+])[C@@H]1c1ccccc1	2
COc1cccc(C(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](CO)C(=O)N3C2)c1	0
C[N@@H+](Cc1ccccc1)[C@@H]1CC(=O)N(c2ccccc2)C1=O	1
Cc1cc2scnc2cc1NC(N)=[NH2+]	1
C[N@H+]1[C@H]2CC[C@@H]1CC(OC(=O)CCN1CCOCC1)C2	1
COCC(=O)N(c1ccccc1)C1CC[NH+](CCc2ccccc2)CC1	1
Cc1ccc(N2C(=O)C[C@H]([NH2+]C[C@@H](C)c3ccccc3)C2=O)cc1	1
NC(=O)C1([NH2+]C2CCCCC2)CCCCC1	1
COc1ccc(C(=O)N2C[C@@H](c3ccccc3)CC2=O)cc1	0
O=C(c1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1)N1CCCCC1	1
Cn1cnc(S(=O)(=O)NCC(=O)N[C@@H](CO)C[NH+]2CCCC2)c1	1
CCC[NH+]1CCC(N2CCN(c3ccccn3)CC2)CC1	1
Cc1cc2c(cc1CC1=[NH+]CCN1)C1CCC2CC1	1
O=S(=O)(c1ccc(F)cc1)n1cnc2ccccc21	0
COC(=O)[C@@H]1CCC(=O)NCCCC[C@@H](NC(=O)[C@@H]([NH3+])CC(=O)[O-])C(=O)N1	0
COc1ccc(O)c([C@H]([NH3+])C(=O)[O-])c1	0
CC1=C(Cl)C(=O)O[C@@]1(C)C[NH+](C)C	1
CC[NH+](CC)Cc1cc(NC(C)=O)ccc1O	1
Cc1[nH]c2nc[nH+]c(NCc3ccccc3)c2c1C	1
CC(=O)COc1cc2c(C)cc(=O)oc2cc1Cl	0
CNC(=O)NC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1	2
C[NH+](C)CCOC(=O)N[C@@H](OCC[NH+](C)C)C(Cl)(Cl)Cl	2
[NH3+]CCNC(=O)c1ccc2c(c1)C(=O)c1cc(C(=O)NCC[NH3+])ccc1C2=O	2
C[C@H]1C[N@@H+](C)[C@H](C)C[C@@]1(O)CC(O)(c1ccccc1)c1ccccc1	1
CCC(=O)N(c1ccccc1)C1(COC)CC[NH+](CCn2cccn2)CC1	1
C[NH+]1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1	1
NC(=O)COc1cc(OCC(N)=O)c2c(c1)oc(=O)c1ccccc12	0
COC(=O)CCC(=O)N1CCC[C@@H]([N@@H+](C)CCC[NH+](C)C)C1	2
CCN1CCC([NH2+][C@@H]2CCCCNC2=O)CC1	1
CC(=O)Nc1ccc2[nH]cc(C3=CC[N@@H+](C)CC3)c2c1	1
C[C@@H](NC(=O)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1)[C@@H]1CCCO1	0
N=c1n(CCOc2ccccc2)c2ccccc2n1CC[NH+]1CCCCC1	1
O=[N+]([O-])c1ccc(-c2cn3c4ccccc4n(CC[NH+]4CCCCC4)c3n2)cc1	1
CNS(=O)(=O)N1CCN(C(=O)CCN2CCCS2(=O)=O)CC1	0
O=[N+]([O-])c1cccc(-c2[nH+]cc3ccccn23)c1	1
C[NH+]1CCN(c2cccc3[nH]c(=O)oc23)CC1	1
CCOC(=O)c1ccc(-[n+]2nnc3ccccn32)cc1	1
NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1	1
O=C(Nc1ccccc1)N1CC[NH+]2CCC1CC2	1
Clc1ccc(OCC2=[NH+]CCN2)cc1Cl	1
CCn1c(=O)c(N(C)C)nc2ccccc21	0
CC(C)c1ccccc1OCC1=[NH+]CCN1	1
O=C([O-])CCC(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1	-1
CC(C)=C1Oc2c(ccc3cc(C)ncc23)C1=O	0
COCCN1CCC[C@@](O)(CN2CCN(S(N)(=O)=O)CC2)C1=O	0
C/C=C1\[C@H]2CCC[C@]1([NH3+])c1ccc(=O)[nH]c1C2	1
CCOC(=O)Nc1cc2c(c(N)[nH+]1)N=C(c1ccccc1)[C@H](C)N2	1
COc1cc2c(cc1OC)CN(c1cc(N)c3cc(OC)c(OC)cc3[nH+]1)CC2	1
CCn1c2[n+](c3ccccc31)C[C@@H](O)CS2	1
[O-][C@@]1(C(F)(F)F)CC(c2ccc3ccccc3c2)=NO1	-1
CC(=O)Nc1n[n+]2c(C)cc(C)nc2c2ccccc12	1
O=C1CS[C@@H]2N1CCC[NH2+]C21CCCCC1	1
CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(O)c2c1C1CCC2CC1	1
CS(=O)(=O)N1CCN(CC(=O)N[C@@H]2C[C@H](O)[C@H]2n2cccn2)CC1	0
CCOC(=O)c1ccc2c(c1)n(CC)c(C)[n+]2-c1ccccc1	1
C[C@@H]([NH3+])[C@@H](O)c1ccc(O)cc1	1
CC(=O)N1CC[NH+](C/C(C)=C\c2ccccc2)CC1	1
C[NH+](C)CCn1c(C#N)cc2ccccc21	1
c1cc(C[NH2+]C[C@@H]2CCCO2)ccn1	1
CN(CC(N)=O)C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CN(C)CCO2)CCO1	0
COc1ccc(C[NH+]2CCC(O)CC2)c(C)c1C	1
O=C1CCCCN1C[NH+]1CCCCC1	1
CCN(CC)C(=O)c1cnc2ccccc2c1O	0
CC[NH+](CC)Cn1cccc(C)c1=O	1
C[NH+](C)CCNC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2	1
COc1ccc([C@@H]([NH3+])c2ccccc2)cc1	1
CCc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CC[NH+](CC)CC3)ccc2N2CC[NH2+]CC2)cc1	2
CCOc1ccc(C[NH+]2CCCC2)cc1OC	1
O=C(COC(=O)c1ccco1)OCN1C(=O)c2ccccc2C1=O	0
COc1ccccc1CC[NH2+][C@H]1CC(=O)N(c2ccc(C)cc2)C1=O	1
C#C[C@]1(O)CC[C@@H]2[N@H+]3CCc4cc(OC)ccc4[C@@H]3CC[C@]21C	1
O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC(Cc2ccccc2)CC1	1
C[N@H+]1[C@H]2CC[C@@H]1CC(=NOC(=O)c1ccc(F)cc1)C2	1
Cc1cc(C)c(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1C	1
NS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(Cc3nnc[nH]3)CC2)C1	0
CC[N@H+]1CCC[C@@H]1CNC(=O)C(O)(c1ccccc1)c1ccccc1	1
N#Cc1c(Cl)c(Cl)nc(N2CCC[NH2+]CC2)c1Cl	1
COc1ccccc1CC(=O)NC1C[C@@H]2CC[C@H](C1)[N@H+]2C	1
COC(=O)n1c(SCC(=O)N(C)C)nc2ccccc21	0
O=C(c1ccccc1I)n1cccn1	0
C1=C(c2c[nH]c3ccccc23)CC[NH2+]C1	1
COc1ccc(OC)c(Nc2cc(-c3ccccc3)nc(N)n2)c1	0
C[C@H](c1ccccc1)[C@@H]1OC[C@H](C[NH+]2CCCCC2)O1	1
C[C@@H]1[C@H]2C(=O)c3ccc(O)cc3[C@]1(C)CCN2CC1CC1	0
CCC[C@@H](O)c1ccccc1OCC[NH+](C(C)C)C(C)C	1
Nc1ccc(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)cc1	1
CC[NH+]1CCN(C(=O)CCC2CC[NH+](C[C@@H]3CC=CCC3)CC2)CC1	2
CC[C@@H]([NH3+])Cc1ccc(C)c(O)c1	1
COC(=O)C[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1	0
Cc1ccccc1C1(O)CC[NH2+]CC1	1
CC(C)[C@H]([NH3+])C(=O)N1CC[NH+](C2CCCC2)CC1	2
[NH3+]CCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1	1
Cc1cc(I)cc(C[N@H+](C)CCC[NH+](C)C)c1O	2
COc1cc2c(cc1OC)-c1cc(N3CC[NH2+]CC3)nc(=O)n1CC2	1
c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CCCO1)C2	1
C[NH+](C)CCNC(=O)c1ccc2c(c1)NC(=O)c1ccccc1S2	1
CCOC(=O)c1c(NC(=O)C[NH2+]C(C)C)sc2c1CCCC2	1
OC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1	1
CCOC(=O)c1oc2ccccc2c1NC(=O)CC[NH+](CC)CC	1
c1ccc(-c2csc3ncnc(N4CC[NH2+]CC4)c23)cc1	1
CNc1cc(C)[nH+]c(NCc2ccccc2)n1	1
Cc1cc(C(F)(F)F)nc(NC(=O)NC(=O)c2cccc(F)c2)n1	0
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3OC)cc2)c(OC)c1	-1
Cc1cc(C)c2[nH+]c3c(c(N)c2c1)CCN3C	1
O=C(NCc1ccccn1)c1ccccc1Cl	0
CN1CCC([N@@H+](C)Cc2ccccc2)CC1	1
Cc1ccc(C(C)C)c(OC(=O)N(C)C)c1C[NH+](C)C	1
CCOc1cc(C[NH2+]CCC[NH2+]C)ccc1OCc1ccccc1	2
COc1ccc2ccccc2c1CN(CCC[NH+](C)C)CCC[NH+](C)C	2
Cc1cccc2c(N)c3cccc(C(=O)NCCNCC[NH3+])c3[nH+]c12	2
Nc1c(-c2ccccc2)[nH+]c2ccccn12	1
CCOC(=O)N1CCC([NH2+]Cc2ccc(F)cc2)CC1	1
CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[NH+]1CCCCC1	2
CCOC(=O)C1[C@@H](CC(C)=O)[C@H](C(=O)OCC)O[N+]1=O	1
Cc1ccc2nc(C3C(=[NH2+])N(CC[NH+](C)C)C=C3O)[nH]c2c1	2
C[C@H](C[N@H+]1CCC[C@H](O)C1)c1ccccc1	1
COc1cc2c(cc1OC)C(=O)[C@@H](Cc1cc[n+](Cc3ccccc3)cc1)C2	1
CC(=O)c1ccc(NC(=O)C(=O)N[N-]C(=O)c2ccccc2S(N)(=O)=O)cc1	-1
Cc1cc(=O)oc(C)c1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	1
Nc1cc(N2CCc3ccccc3C2)c2ccccc2[nH+]1	1
Cc1cc(C(=O)NC2C[C@@H]3CC[C@H](C2)[N@H+]3C)n2ccccc12	1
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3ccccc3n2)cc1	-1
CC(C)c1cc(/C=C2\C[NH+]3CCC2CC3)on1	1
C[C@@H]([NH3+])Cn1ccc2cc(F)c(Cl)cc21	1
NNc1nc(N)c2c([nH+]1)-c1ccccc1CC21CCCC1	1
Cc1c(Cl)nc(N2CC[NH2+]CC2)nc1NC(C)C	1
Nc1nc(-c2cccnc2)nc2c1c(=O)oc1ccccc12	0
NC(=O)c1cc[n+](COC[n+]2ccccc2/C=N/[O-])cc1	1
Cc1ccccc1NC(=O)Nc1ccccc1Cl	0
CC[NH+]1CCC([NH2+][C@@H](C)CCCC(C)(C)O)CC1	2
C[N@@H+](CCO)Cc1csc2ccc(Br)cc12	1
CN1Cc2cc(CN3C(=O)c4ccccc4C3=O)ccc2NC1=O	0
CCOC(=O)c1ccccc1NCN1C(=O)c2ccccc2C1=O	0
CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)cc1	1
COc1ccc(-n2c(Nc3nc(C)cc(C)n3)nc(C)cc2=O)cc1	0
COc1ccc(C(=S)N2CC[NH+](C)CC2)cc1Br	1
CCOC(=O)/C(C#N)=C/c1ccccc1	0
CC(=O)CC(=O)Nc1nccs1	0
CCn1cc(C[N@H+]2CCC[C@@H](N(C)CC[NH+](C)C)C2)c(C)n1	2
Cc1c2oc3c(C)ccc(C(=O)NCC[NH+]4CCCC4)c3nc-2c(C(=O)NCC[NH+]2CCCC2)c(N)c1=O	2
C1CC[NH+](C2C3CC4CC2CC(C3)C4[NH+]2CCCC2)C1	2
CCC[N@@H+](CCO)Cc1cc(Br)ccc1OC	1
CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2)CC1	2
O=C(OC(CN1CCCCC1)C[NH+]1CCCCC1)c1ccccc1	1
O=C([O-])CN1CSC(=S)N(Cc2ccccc2)C1	-1
O=c1cc(-c2ccc(O)cc2O)oc2ccccc12	0
[NH2+]=C1NC[C@@H]2c3ccccc3Cc3ccccc3N12	1
Cn1cnc2c1CC[N@@H+](C[C@H](O)c1ccc(Br)cc1)C2	1
C[C@@](Cc1ccccc1)(NC(=O)C[NH3+])c1ccccc1	1
COC(=O)c1ccc(C[N+](=O)c2ccccc2)cc1	1
CN(CCCNC(=O)CN1CC(N2CCNC2=O)C1)S(C)(=O)=O	0
NC(=[NH2+])SCC[NH2+]C1C2CC3CC(C2)CC1C3	2
CSC1=[NH+]CCN1CC(=O)c1ccc(C)cc1	1
Cc1cccc2c(=O)[nH]cc(Br)c12	0
CC[NH+]1CCN(c2ncnc3sc4c(c23)CCC4)CC1	1
C[C@@](O)(C#CC[NH+]1CCCCC1)C1CC1	1
COc1ccc2[nH]cc([C@@H](O)C[NH+]3CCC(C(N)=O)CC3)c2c1	1
Nc1nc(-c2ccccn2)c(-c2ccc3ncccc3n2)s1	0
CC(=O)O[C@@]1(c2ccccc2)CC[N@H+](C)CC1(C)C	1
NS(=O)(=O)c1ccc(OCC[NH+]2CCC(C[NH3+])CC2)cc1	2
OC1(c2cccc(C(F)(F)F)c2)CC[NH2+]CC1	1
CCOC(=O)c1c(C[NH+](C)C)oc2ccc(O)cc12	1
CC(=O)Nc1ccc(C(=O)N(CC(=O)N2CC[NH2+]CC2)C2CC[NH+](Cc3ccccc3)CC2)cc1	2
C/C(=N\O)c1ccc2ccccc2c1O	0
O=C(c1ccccc1)N1CC[NH2+]CC1	1
COc1ccc(NC(=O)C(=S)NCc2ccccc2)cc1	0
CC1(C)CC(Nc2noc(-c3ccccc3)n2)CC(C)(C)[NH2+]1	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
Cc1cc(C)c(C[N@H+]2C[C@H](O)[C@@H](N3CC[NH+](C)CC3)C2)c(C)c1CO	2
CC12CN3CC[N@@H+](CC(C3)/C1=N/N=C/c1ccc([N+](=O)[O-])cc1)C2	1
O=c1nc2cccccc-2n1Cc1ccccc1	0
CCC(=O)Nc1sc2c(c1C#N)CC(C)(C)[NH2+]C2(C)C	1
Cc1cccc(NC(=O)CSc2nc(N)cc(N)[nH+]2)c1	1
COc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccncc3)C2=O)cc1	1
NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1	1
Cc1cc(C)nc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1	0
O=C(C[NH+]1CCCCC1)NN1CC(=O)N(c2ccc(F)cc2)CC1=O	1
c1cc(CC[NH+]2CCCC2)ccn1	1
COC(=O)c1ccc(C[NH+]2CCCC2)cc1	1
CCS(=O)(=O)N1CCC[C@@H](C(=O)NCC[NH+]2CCCC2)C1	1
C[NH+](C)Cc1c[nH]c2ccccc12	1
CCOc1ccc(-n2c(=O)[nH]c(C(=O)[O-])c(CC)c2=O)cc1	-1
CC(=O)O[C@@]1(c2ccccc2)C[C@H](C(C)(C)C)C[N@H+](C(C)(C)C)C1	1
CSc1nc(C)cc(-n2cc(Br)c(=O)[n-]c2=O)n1	-1
COC(=O)CC1CC(C)(C)[NH2+]C(C)(C)C1	1
COc1ccc(N2CC[NH+]([C@@H](C)Cc3cccc(C(F)(F)F)c3)CC2)cc1	1
O=C(c1ccccc1F)N1CCC([NH+]2CCCCCC2)CC1	1
CCC[N@H+]1CC[C@@H](CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1	2
Cc1nn(-c2ccccc2)nc1C[NH3+]	1
O=C(Cc1cccs1)N1CCN(c2ccccc2)CC1	0
C[C@@H](C(=O)NC(C)(C)C)N1C(=O)c2ccccc2C1=O	0
CCOC(=O)c1oc2ccccc2c1C[NH+]1CCC(C(N)=O)CC1	1
[NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@]1(N2CCOCC2)CCCOC1	2
C[n+]1cc(C(=O)NCC[N+](C)(C)Cc2ccccc2)ccc1/C=N/[O-]	1
O=C1C=C2C3CC[NH+](CC3)[C@@H]2CC1	1
CC(=O)N1c2ccccc2S(=O)(=O)c2cc(Cl)ccc21	0
C[NH+](C)CCNC(=O)c1cccc2ccc(-c3ccncc3)nc12	1
C=CC[C@@H]1[NH2+]C2(CCCCC2)Cc2cc(OC)c(OC)cc21	1
C[NH+](C)CCCN1C(=O)[C@H]2CC3=C(CCCC3(C)C)C[C@H]2C1=O	1
Cc1ccccc1-c1nc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH+]3CCCC3)C2)c(C)o1	2
CCCN1C(=O)C(=Cc2ccc([O-])c([N+](=O)[O-])c2)NC1=S	-1
CNC(=O)NC(=O)Cc1cc2c(cc1Cc1ccc(N)cc1)OCO2	0
CCCCCCn1cc(CCC[NH2+][C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)nn1	1
Nc1nonc1-c1noc(-c2cc(F)c(F)cc2Cl)n1	0
CN1C[C@@H](CC[N@@H+]2CC=C(c3ccccc3)CC2)OC1=O	1
CN(C)/C=[NH+]/c1ccn(Cc2ccccc2)c(=O)c1C#N	1
COc1ccc(CC[C@@H]2[NH2+]CCn3cccc32)cc1OC	1
CC(C)CC[C@@]1(CC[NH2+]C2CC[NH+](C)CC2)CCO[C@@H](C(C)C)C1	2
CC1CCC([NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1	1
O=S1(=O)CCN(Cc2cn(C[C@H]3C[C@@H]([NH2+]Cc4cccnc4)[C@H](O)[C@@H]3O)nn2)CC1	1
O=C1CN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)CC(=O)N1	-1
C[NH+](C)CC/C=C1/c2ccccc2CS(=O)(=O)c2ccccc21	1
O=C(c1cccs1)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1	1
C#CC[n+]1c(C)n(N)c2ccccc21	1
[NH3+]Cc1ccsc1Br	1
COc1cccc(OC)c1OC[C@@H](O)C[NH+]1CCCCC1	1
CC[N@H+]1CCc2c(sc(N)c2C(=O)OC)C1	1
O=C([O-])c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1	-1
CCOC(=O)CNC(=O)C1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1	2
CCNC(=O)CC[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1	2
C[C@H](NS(C)(=O)=O)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1	0
COC(=O)c1cccc(C[NH3+])c1	1
Cc1cccc(NC(=O)CC[NH+]2CCN(c3ccccc3F)CC2)c1	1
CC(=O)Nc1cccc(C[NH3+])c1	1
CS(=O)(=O)NCCN1CCCC2(CCC[N@@H+](CCNS(C)(=O)=O)C2)C1	1
C[NH+]1CCN(c2nnc(-c3ccccc3)c(-c3ccccc3)n2)CC1	1
O=C([O-])/C=C/C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	-1
O=C([O-])c1ccc(CSc2nnnn2C2CCCCC2)cc1	-1
Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)cc1	-1
COc1cc2c(cc1OC)C(Nc1cc(C)ccc1C)=[NH+]C(C)(C)C2	1
Cc1cnc(NC(=O)C(c2ccccc2)c2ccccc2)o1	0
CC[C@]1(c2ccccc2)NC(=O)NC1=O	0
Cc1c(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C	-1
C[C@H]1CC2=CC(=O)CCN2c2ccc(Cl)cc21	0
CC(C)(C)[NH2+]C[C@@H](O)COc1nsnc1N1CCOCC1	1
CC(C)[N@H+]1CCc2c(sc(N)c2C#N)C1	1
C[C@H]1CN(C(=O)NC2C[C@@H]3CC[C@H](C2)[N@H+]3C)c2ccccc21	1
COc1cc(OC)c(C(=O)CCC[NH+]2CCCC2)c(OC)c1	1
O=C(CC[N@@H+]1CC=C(c2ccccc2)CC1)NCc1ccccc1	1
CC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C	1
O=C(CCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1	1
C[C@@H]([NH2+]C(C)(C)C)C(=O)c1cccc(Cl)c1	1
COc1cc(NC(=O)CC[NH3+])cc2ccccc12	1
Cn1cnnc1-c1cccc(NC(=O)/C=C/c2ccc(F)cc2)c1	0
COc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2C)cc1OC	-1
O=C1[N-]C(=O)/C(=C\c2ccc(OCC(=O)N3CCOCC3)cc2)N1	-1
O=C(C[NH+]1CCCCC1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1nc2ccccc2[nH]1	1
C[NH+]1CCC([NH2+]Cc2cccc(Cl)c2)CC1	2
C[NH+](C)[C@H](CNC(=S)NC1CCCCC1)c1cccnc1	1
CC(=[NH2+])Nc1cc(-c2ccccc2)n[nH]1	1
Fc1ccc(O[C@@H](c2ccccc2)C2CC[NH2+]CC2)cc1	1
O[C@@H](C[NH2+]C[C@H]1CCCO1)Cn1c2ccccc2c2ccccc21	1
CN(C)c1ccc(/C=C2/C(=O)ON=C2c2cccc([N+](=O)[O-])c2)cc1	0
Cc1ccccc1-n1c(=O)cc(N2CCC(C(N)=O)CC2)[nH]c1=O	0
C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccc(C)cc2)C1C(=O)OC	1
NC(=O)C1CC[NH+](CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1	1
CC1(C)NC(=[NH2+])NC(=N)N1c1ccccc1C(F)(F)F	1
CC(C)[C@](O)(C(=O)OC[C@@H]1CC[N@H+]2CCC[C@@H]12)[C@H](C)O	1
CC(C)NC(=O)COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1	-1
C[C@H]1C[NH+](CCCCC[N@@H+]2C[C@@H](C(N)=O)O[C@H](C)C2)C[C@@H](C(N)=O)O1	2
O[C@@H](COc1ccc([C@@H]2C=CCC2)cc1)C[NH+]1CCCCC1	1
CC[NH+]1CCC(N2CCN(c3ccc(F)cc3)CC2)CC1	1
C[NH+](C)CCNc1cc(-c2ccco2)nc2ccccc12	1
CCc1cccc(CC)c1N1C(=[NH2+])NC(=N)NC1(C)C	1
C[C@H]([NH2+][C@H](C)CCc1ccccc1)[C@@H](O)c1ccc(O)cc1	1
COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1	2
CNc1ccccc1C[S@@](=O)c1nc2ccccc2[nH]1	0
C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1	1
O=C(OC[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cc2ccccc2oc1=O	1
CC[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	1
CC12CN(Cc3ccccc3)CC(C)(C[NH+](Cc3ccccc3)C1)C2O	1
COc1ccc(CN(CC[NH+](C)C)c2ncccn2)cc1	1
COc1ccc(Cl)cc1NC(=O)c1nn(C)cc1[N+](=O)[O-]	0
CC(C)(C)[NH2+]CC(=O)Nc1c2c(nc3ccccc13)N(Cc1ccccc1)CC2	1
CC(C)C(=O)N1CC[NH+](CC2CC[NH2+]CC2)CC1	2
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
CCN(CC)C(=O)N[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@@H]2[N@H+](C)C1	1
CC(C)(C[NH+]1CCCCC1)NS(=O)(=O)c1ccc(Cl)cc1	1
C[C@@H]1C[N@@H+](C)[C@H](c2ccccc2)CC1=O	1
CC[NH+](CC)CCn1cnc2c([nH]c3cc(OC)c(OC)cc32)c1=O	1
COc1cc([C@@H]2SCC(=O)N2Cc2ccccc2)ccc1O	0
CC(C)NS(=O)(=O)NCCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+]	1
CN1C(=S)SC(C)(C)[C@@H]1[N+](=O)Cc1c(F)cccc1Cl	1
O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCCCC2)c1	1
CC(NNc1[nH+]ncc2ccccc12)=C1C(=O)CC(C)(C)CC1=O	1
COC(=O)c1c(C)oc2ccc(OCC(N)=O)cc12	0
CC(=O)C1(c2ccccc2)CC[NH2+]CC1	1
O=[N+]([O-])c1ccc(Oc2ccc(C3=[NH+]CCN3)cc2)c(Cl)c1	1
O=C([O-])CSc1nnc(-c2cccnc2)n1Cc1ccco1	-1
Cc1ccc(F)cc1NC(=O)CSc1nnnn1C	0
CC[C@@H](C)[NH2+]CC(=O)Nc1ccc(S(N)(=O)=O)cc1	1
N#Cc1ccsc1NC(=O)C[NH+]1CCCCCC1	1
CCOC(=O)c1csc(Nc2cc[nH+]cc2)n1	1
Cc1cc(N2CC[NH+](C)CC2)nc(Cl)c1C#N	1
CN(C)c1nc2nonc2nc1Nc1cccc(Cl)c1	0
CC[NH+](CC)CCN1C(=O)[C@@H]2CN(C(=O)[C@@H]([NH3+])C(C)C)C[C@]2(C)NC(=O)c2ccccc21	2
Clc1ccccc1CC1=[NH+]CCN1	1
COc1cc2c(cc1OC)CN(Cc1cc(Br)c(O)c(OC)c1)CC2	0
COc1cc(OC)c(C[NH+]2CCCC2)cc1Br	1
C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)N2CCOCC2)CC1	1
COc1ccccc1CNc1ccc2c(c1)[nH+]cn2C	1
CCC1CCC([NH+]2CCC(C(N)=O)CC2)CC1	1
C[C@H]1CCC[C@@H]([NH+]2CCN(c3ccc(Cl)cc3)CC2)C1	1
C[NH+](C)CCCn1cnc2c1c(=O)[nH]c(=O)n2Cc1ccccc1	1
COCCC[NH2+]CC(=O)N1CCN(C(=O)C[NH2+]CCCOC)CC1	2
C[n+]1c2ccccc2nc2ccc(N[C@@H]3CCCC[C@@H]3[NH3+])cc21	2
[NH3+][C@H]1c2ccccc2CS(=O)(=O)c2ccccc21	1
Cc1noc(-c2ccccc2)c1NC(=O)N1CC[NH+](C)CC1	1
O=C(NC(=S)Nc1ccc(C[NH+]2CCCC2)cc1)c1ccco1	1
CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@@H]1c1cccs1	0
C[NH+](C)C[C@H](c1ccc(O)cc1)C1(O)CCCCC1	1
C[NH+](C)CCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccnc(Cl)c2)C1	2
CCN(c1ccccc1C)S(=O)(=O)N(C)C	0
COc1ccc2[nH]c(=O)n(C(=O)OC3C[C@@H]4CC[C@H](C3)[N@H+]4C)c2c1	1
Cc1ccccc1OC[C@@H]1CN(C[NH+]2CCCCC2)C(=O)O1	1
C[NH+](C)CCc1c[nH]c2ccc(O)cc12	1
Clc1ccc(C2=[NH+]CCCN2)cn1	1
CC1(C)[C@H]2CC=C(C[N@H+]3CCC[C@@H](O)C3)[C@@H]1C2	1
N#Cc1cn(CC(=O)NCCc2c[nH]c3ccccc23)c2ccccc12	0
CC(=O)NCCn1c(=S)[n-]c2ccc(N3CCOCC3)cc2c1=O	-1
O=C1[N-]N(c2ccc(F)cc2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1	-1
CCOc1ccccc1NC(=O)C[C@@H]1[NH2+][C@H]2CCCC[C@H]2NC1=O	1
CC[n+]1ccc(C(=O)Nc2cccc(C(=O)OC)c2)cc1	1
C[N@H+]1CCc2cc(Cl)c(O)cc2[C@H](c2cccc3c2OCC3)C1	1
c1ccc2nc3c(nc2c1)c1ccccc1n3CC[NH+]1CCCCC1	1
O=CNc1ncc(-c2nc3ccccc3[nH]2)s1	0
C[C@@H]1C[N@H+](C(C)(C)C)C[C@](O)(c2ccccc2)C1	1
Nc1ccc(N2CC[NH2+]CC2)cc1	1
C[NH2+]CCN(C)C(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1	2
O=C(NCCc1cnc[nH]1)[C@H]1C[NH2+]C[C@@H](COc2cccc(C(F)(F)F)c2)C1	1
Cc1nc2n(C)c3ccccc3n2c1C(=O)OCC[NH+]1CCCCC1	1
CC(C)[NH2+]C[C@@H](O)COc1cccc2[nH]ccc12	1
COc1ccc([C@@H]2CNC(=O)C2)cc1OC1CCCC1	0
COC(=O)c1ccc([C@@H](C)[NH+](C)C)o1	1
Cc1c(-c2ccccc2)[nH]c(=O)n1C1CC[NH+](CCc2ccccc2)CC1	1
O=C1c2ccccc2C(=O)N1[C@H]1CCC[N@H+]2CCCC[C@@H]12	1
CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nnc(CC)s2)cc1	-1
CN(C)C(=O)c1ccc(CC2CC[NH2+]CC2)cc1	1
Cc1cccc(N2CCC(/[NH+]=C/N3CCCCC3)=N2)c1	1
COc1cccc(C[NH+]2CCC(C(=O)NCCC(C)C)CC2)c1OC	1
CCCC1=NN(c2ccc(F)cc2)C(=O)C1=CNCC1CC[NH2+]CC1	1
COC(=O)c1cc(=O)c2c(SC)nc(-c3ccccc3)nc2[n-]1	-1
O=C(NC1(C(=O)[O-])CC1)OCC1c2ccccc2-c2ccccc21	-1
CCOc1ccc(NC(=O)NCC[N@H+]2[C@@H](C)CCC[C@H]2C)cc1	1
CC(=O)[C@@H]1[C@H](c2cccs2)NC(=O)N[C@@]1(O)C(F)(F)F	0
OCc1cccc[n+]1Cc1ccccc1	1
C[C@@H](C(=O)NCC1(c2ccccc2)CCCC1)[NH+]1CCCC1	1
CCC[NH+]1CCC([NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1	2
[NH3+]CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	1
CCc1c(N2CCCC2)nc(N)[nH+]c1C	1
O=S(=O)(c1cccc(NC2CC[NH2+]CC2)c1)C(F)(F)F	1
C[n+]1ccc(/C=C/c2cccs2)cc1	1
NC(N)=[NH+]N1Cc2c(Cl)ccc(Cl)c2C1	1
C[N@H+]1CCN2c3ccccc3Cn3cccc3[C@@H]2C1	1
C[NH2+]C[C@@H](O)c1ccc(O)cc1	1
CC[NH+](CC)CC(=O)Nc1cc(C)nn1-c1ccccc1	1
Nc1nnc(SCC(=O)NC2CCCC2)s1	0
O=C(CCO[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O)N(c1ccccc1)C1CC[NH2+]CC1	1
CNC(=O)CN1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1	0
CC(C)[NH2+]C[C@@H](O)COc1nccs1	1
O=C1C[C@H](N2CCCc3ccccc32)C(=O)N1c1ccccc1	0
CC[NH+]1CCN(C(=[NH2+])Nc2nc(C)cc(C)n2)CC1	2
CS(=O)(=O)N1CC[C@@H](NC(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)C1	0
CCn1c(C)[n+](CC)c2cc(C(=O)OC)c(C(=O)OC)cc21	1
COc1cc(C[N+](=O)c2ccccc2)ccc1O	1
Cn1c2c(c3ccccc31)CCN(CCC[NH+]1CCN(c3ccccc3)CC1)C2=O	1
NC(=O)C[C@@]1(O)CCCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)C1	0
Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3)c2n1	0
COc1ccc2n(C)c(-c3cccc(OC(=O)N(C)C)c3)c[n+]2c1	1
CCOC(=O)c1cnc2c(CC)cccc2c1N1CC[NH+](C)CC1	1
C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCO[C@H](CC(N)=O)C2)C1=O	0
C=C1CC2(CC[NH+](C)CC2)O[C@@H]1C	1
CC1=C(C#N)C(=O)N(C)C(=O)C1=C[NH2+]Nc1ccc(C)c(C)c1	1
CCN(C)C(=O)Oc1cccc([C@H](C)[NH+](C)C)c1	1
C[C@@H](C(=O)NCCc1ccccc1F)N1C(=O)c2ccccc2C1=O	0
Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccsc2)cc1	0
COc1ccc(CC(=O)OCC[NH+](C)C)cc1OC	1
C[NH+](C)CCN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1	1
C/C=C1/C[C@H](C)[C@](C)(O)C(=O)OC[C@@H]2CC[N@H+]3CC[C@H](OC1=O)[C@H]23	1
C[N@H+]1[C@H]2CC[C@@H]1CC(NC(=O)N1CC3(CC3)c3ccccc31)C2	1
CN(C)C(=O)Oc1ccc(OCc2n(C)c3ccccc3[n+]2C)cc1	1
Cc1noc(C)c1S(=O)(=O)NCc1ccccn1	0
Cc1ccc2c(c1)c1c3n2CC[NH2+][C@H]3CCC1	1
C[N@H+](Cc1ccccc1)Cc1cccn1CC[NH+]1CCOCC1	2
COc1ccc2cc3[n+](cc2c1OC)CCc1cc(O)c(O)cc1-3	1
Nc1ccc(Cl)cc1C(=O)C[C@H]([NH3+])C(=O)[O-]	0
Cc1cccc(NC(=O)CC[NH+]2CCC(C(N)=O)CC2)c1	1
O=C1CCCN1CC1CCN(c2ccnc(C(F)(F)F)n2)CC1	0
CCC[N@H+]1CCC[C@@H]2c3cc(O)ccc3OC[C@H]21	1
COCCN1C(=O)[C@@H]2[C@@H](CC(N)=O)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O	0
CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(OC2CC[NH+](C)CC2)c(OC)c1	2
Cc1cc(/C=N/NC(N)=O)c(C)n1-c1sc2c(c1C#N)CCCC2	0
CCOC(=O)c1c(NC(=O)NCC2CC[NH2+]CC2)sc2c1CCCC2	1
CCn1c(C)[n+](CC)c2cc(C(=O)N(C)C)ccc21	1
Cc1c(C(=O)N(C)C2CC[NH+](C)CC2)cnn1-c1ccc(F)cc1	1
Cn1oc2c(c1=O)CC[NH2+]CC2	1
O=c1c2c(on1Cc1ccccc1)CC[NH2+]CC2	1
CC(C)NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)nc1	1
COc1ccccc1CC[NH2+]C1CCN(C(C)=O)CC1	1
Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)s1	1
CN(C)C(=O)Oc1cccc(OCc2c[n+]3ccccc3n2C)c1	1
O=[N+]([O-])c1cc(NCn2nnc3ccccc32)ccc1Cl	0
[NH3+]C[C@H](CC(=O)[O-])c1ccc(Cl)cc1	0
CC(=O)c1cc2cccc(OC[C@H](O)C[NH2+]C(C)C)c2o1	1
C#CCOc1ccc(C(=O)N[C@@H]2C[N@H+](C3CCN(C)CC3)CCC[C@H]2O)cc1	1
O=C(Nc1c[nH]c(=O)[nH]c1=O)C(c1ccccc1)c1ccccc1	0
CC(C)(C)OC(=O)CC[NH+]1CCC(C(N)=O)CC1	1
C[NH+](C)CCn1c2c(c3ccccc31)C[N@@H+](C)CC2	2
CC(C)n1c(=O)n(Cc2nc3ccccc3n2CC[NH+](C)C)c2ccccc21	1
Cn1c(-c2cc[n+](C)c3ccccc23)[n+](C)c2ccccc21	2
CC1(C)CC(NC(=O)c2ccco2)CC(C)(C)[NH2+]1	1
COc1cc(Br)cc(/C=C2/NC(=S)NC2=O)c1OC	0
CN(CCN(CC[NH+]1CCCC1)C(=O)CNC(N)=O)C(=O)CNC(N)=O	1
O=C(c1cccc([N+](=O)[O-])c1)n1cc(Cl)cn1	0
CC(C)[NH2+]C[C@@H](O)c1cc(O)cc(O)c1	1
CC1(C)[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)[C@@H]1C=C(Cl)Cl	-1
C[NH2+][C@@H](C)[C@@H](O)c1ccc(NS(C)(=O)=O)cc1	1
CC[C@@H](CNS(C)(=O)=O)NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1	1
CN(C)c1cccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1	0
COC(=O)[C@@H](C[NH3+])c1c[nH]c2ccc(OC)cc12	1
CN1CCC([NH2+]C2CCN(C)CC2)CC1	1
[NH3+]CCc1c[nH]c2c(O)cc(O)cc12	1
O=[N+]([O-])c1ncn(CNc2cc(Br)cc3cccnc23)n1	0
CC(C)N1C(=O)c2ccc(-c3ccc(C=O)o3)cc2C1=O	0
COc1ccc([C@@H]2OC[C@@H](C[NH+]3CCCCC3)O2)cc1	1
FC(F)(F)c1cccc(N2CC[NH2+]CC2)c1	1
CC(C)=C(NC(=O)c1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cc1	-1
FC(F)(F)c1cccc(N2CCN(C3CC[NH+](CCc4ccccc4)CC3)CC2)c1	1
c1nc(NCN2CCCCC2)c2ncn(C[NH+]3CCCCC3)c2n1	1
O[C@@H](C[NH2+]Cc1ccc2c(c1)OCO2)COc1ccccc1	1
Cn1cnc([N+](=O)[O-])c1SC[C@@H](O)C[NH+]1CCCCC1	1
[NH3+]Cc1c(Cl)cc(C(F)(F)F)cc1Cl	1
Nc1ccc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2)cc1	-1
O=C([C@@H]1CCC[N@@H+](Cc2ccncc2)C1)N1CCCCC1	1
Cc1cc(S(=O)(=O)N[C@@H]2CCCCNC2=O)c(C(F)(F)F)o1	0
O=c1c(O)c(-c2ccc(O)cc2)oc2ccccc12	0
COc1cc(C[NH2+]Cc2ccc(OC)c(C)c2)cc(OC)c1	1
CC[NH+](CC)CCn1c(N)[n+](CC(=O)c2ccc(Br)cc2)c2ccccc21	2
CC[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	1
CC[N@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1	2
Clc1cncc(Cl)c1N1CC[NH2+]CC1	1
CC(C)NC(=O)C1CC[NH+](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)CC1	2
C[NH+]1CCN(c2ccc3nc(-c4c(N)c5ncccc5[nH]c4=O)[nH]c3c2)CC1	1
COC(=O)CCNC(=O)CCNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1	1
CSc1nc(-c2ccccc2)nc(SC)c1C(C)=O	0
Cc1ccc(CC2(O)CC[NH+](CCOc3ccc(O)cc3)CC2)cc1	1
CC(C)(C)OC(=O)Nc1ccc(Br)cc1C(=O)[O-]	-1
Cc1ccc2c(c1O)-c1cccc3c1[C@@H](C2)[N@@H+](C)CC3	1
OC1CC[NH+](Cc2cc(Br)cs2)CC1	1
C[NH+](C)CCCN1C[C@@H](COc2ccccc2)O[C@@H]1c1ccccc1	1
C=C(C)C[N@H+](CC)C1CCN(C)CC1	1
[NH3+]C1(CNC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CCOCC1	1
O=C1c2ccccc2-c2ccc(C(=O)[C@@H](O)S(=O)(=O)[O-])cc21	-1
O=C1c2cccc3c2[C@@H](CCC3)CN1[C@H]1C[NH+]2CCC1CC2	1
COc1cc2c(c(OC)c1OC)c(=O)oc1cc([O-])ccc12	-1
C[C@@]1(CNC(=O)C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)CCCO1	0
CN(C)S(=O)(=O)N1CCC(Cc2ccccc2)CC1	0
Cc1ccc(S(=O)(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1	0
CCOC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1Br	-1
CC(C)Oc1ccc(C[N+](C)(C)C)cc1C[N+](C)(C)C	2
CC[N@@H+](CCO)Cc1csc2c(Br)cccc12	1
Cn1cc(C(=O)NC[NH+]2CCCCC2)c2ccccc21	1
CCOC(=O)c1ccc(C[NH3+])o1	1
O=C(NC1CCCCCC1)c1cccnc1	0
CCOC(=O)N1CCC(=O)N(c2ccccc2)c2cc(Cl)ccc21	0
Cc1ccc2c(c1)-c1c(ccn1C[C@H](C)[NH3+])C2(C)C	1
Cc1cc[n+](CCO)c2ccccc12	1
CN(C)C(=O)c1cccc(COc2ccc(N3C(=N)NC(=[NH2+])NC3(C)C)cc2Cl)c1	1
CN(C)S(=O)(=O)NC[C@@]1(O)CCCN(C(=O)CCn2cnnn2)CC1	0
COc1ccc2[nH]cc(CCNC(N)=[NH2+])c2c1	1
Cn1cccc1C[NH2+]C[C@@H]1CCCO1	1
C[NH+](C)CCNc1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3	1
CC1(C)CN(C(=O)C(=O)N2CCO[C@@H](CC(N)=O)C2)CCN1CCO	0
O=c1oc2ncccc2n1CC[NH+]1CCCC1	1
Clc1ccc2nc(CSc3nc4ccccn4n3)cn2c1	0
COc1ccc([C@@H]([NH3+])Cc2ccccc2)cc1OC	1
Fc1ccc([C@H](OCC[NH+]2CCCC2)c2ccc(Br)cc2)cc1	1
CS(=O)(=O)Nc1ccc(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)cc1	1
CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O	0
C[N@H+](Cc1ccccc1-c1nc(C[NH3+])cc(=O)[nH]1)C[C@@H]1COCCO1	2
OC1CC[NH+](Cc2ccccc2)CC1	1
Cc1cc(C)n2nc(S(=O)(=O)[N-]c3cccc(F)c3)nc2n1	-1
C[C@H]([C@H](O)c1ccc(O)cc1)[NH+]1CCC(Cc2ccccc2)CC1	1
Clc1cccc(C2=CCC[NH2+]C2)c1	1
[NH3+]CCc1cc(O)c(O)c(O)c1	1
CC1(C)C[C@@H]([C@@H](CC[NH3+])c2ccc(F)cc2)CCO1	1
Oc1ccc(CCc2ccc(O)c(O)c2)cc1O	0
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(CCC(=O)N2CCOCC2)cc1	2
Cn1c(=O)c2c(nc(N3CCCCC3)n2CC[NH3+])n(C)c1=O	1
CNS(=O)(=O)NCC(=O)NCC(=O)NCC[NH+]1CCCCCC1	1
NS(=O)(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1	0
C[C@H](Nc1ccc(Cl)cc1)c1ccncc1	0
Cc1ccc2sc(N)nc2c1C	0
C[NH+](C)CCOc1ccccc1Cc1ccccc1	1
CC(=O)N1CCC([NH2+]Cc2cccc(Cl)c2)CC1	1
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
c1ccc(CCC2CNCC[NH2+]CCCNCC[NH2+]C2)nc1	2
COC(=O)[C@@H]1C[C@@]23C=CC[N@@H+]4CC[C@@]5(c6ccccc6N[C@]15CC2)[C@@H]43	1
C[N@H+]1C[C@H]2[C@@H](c3cccc(-n4cccn4)c3)[NH2+][C@](CO)(CCO)[C@H]2C1	2
c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCOCC1	1
Cc1ccc(S(=O)(=O)[N+]2=CN(C)C(C)(C)C2)cc1	1
C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2ccc(Br)o2)C1C(=O)OCC	1
CCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1	1
c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCSC3)CC2)cc1	2
O=C(CCCc1ccc(Cl)cc1Cl)Nn1cnnc1	0
CC[C@@]1(CO)CCC[N@H+]2CCc3c([nH]c4ccccc34)[C@@H]21	1
CC1(C)C[C@@]2(CCC[NH2+]C2)CCO1	1
CCOC(=O)C1CC[NH+](CCC(=O)c2ccc(OCC)cc2)CC1	1
COC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)n1C	0
O=C(CCN(C1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1ccccc1)N1CC[NH2+]CC1	2
Cc1ccc(C)c(COc2ccc(C)[nH+]c2N)c1	1
[NH3+]Cc1ccc(-c2csnn2)cc1	1
CC1(C)CC(N2C(=O)OC(C)(C)[C@@]2(C)O)CC(C)(C)[NH2+]1	1
COC(=O)CNC(=O)CCN1CCN(C(=O)CN2CCOCC2)CC1	0
NC(=[NH2+])SCc1nc(-c2ccc(Cl)cc2)no1	1
COc1cc2c(cc1OC)[C@@H](c1ccccc1O)[NH2+]CC2	1
COc1cc(C[NH2+]Cc2cc(F)ccc2F)cc(OC)c1OC	1
CC[NH+](CC)CCOC(=O)[C@@H](C[NH2+]Cc1ccccc1)c1ccccc1	2
C[NH+](C)CCOc1ccc(CN2CC[C@@H]([NH+]3CCC(O)CC3)[C@H](O)C2)cc1	2
C[NH+](CC(=O)NCCNC(=O)C[N@H+](C)C1CCCCCC1)C1CCCCCC1	2
C[NH2+][C@@H](C)Cc1ccccc1OC	1
C[NH+](C)CCO[C@@H]1COCc2ccccc21	1
Cc1cc(C[NH+](C)C)c(O)c(C2(C)CCCCC2)c1	1
COc1cccc(CNc2[nH+]c3ccccc3n2C)c1O	1
[NH3+][C@H](C[C@H](Cc1cccc(-c2ccco2)c1)C(=O)[O-])C(=O)[O-]	-1
CCCC12CNCC(C)(C[NH2+]C1)C2=O	1
CCc1ccccc1NC(=S)N[N-]S(=O)(=O)c1ccc(C)cc1	-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
Cc1nnc(C)n1/N=C/c1ccc(OCC(N)=O)cc1	0
C[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccccc1	1
COc1ccc(C[N@H+]2CCCC[C@@H]2CO)cc1C	1
NC(=[NH2+])NN=Cc1ccccc1[N+](=O)[O-]	1
O=C(Nc1cccnc1)c1cccc(S(=O)(=O)N2CCCC2)c1	0
CC(=O)C1=C(O)C(=O)N(CO)[C@@H]1c1ccc(F)cc1	0
C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCCO1	1
CCOC(=O)c1cccc(NC(=O)c2ccc(N(C)C)cc2)c1	0
OC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	1
COC[C@@]1(C(N)=O)CCCN1CC(O)C[N@H+]1CCC[C@@]1(COC)C(N)=O	1
O=C(Cc1ccccc1)Nc1c2c([nH+]c3c1CCC3)CCCC2	1
CCN(CC)[C@H]1CC(=O)N(c2ccc(N3C(=O)C[C@H]([NH+](CC)CC)C3=O)cc2)C1=O	1
Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(N)c1	-1
O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[NH+](CCO)CCO)C1	1
COc1ccc([C@H]2C[C@@]3(O)C[C@](C#N)(C(=O)N3)C2(C#N)C#N)cc1	0
Cc1ccc(NC(=O)[C@H]2CC2(C)C)cc1	0
CCOC(=O)C1CC[NH+](c2ccc(N)cc2)CC1	1
COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1	2
C[NH+](C)Cc1ccc(C[NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)cc1	2
C#C[C@](C)(CC)OC(=O)c1ccccc1C(=O)[O-]	-1
Cc1csc(Cl)c1NC1=[NH+]CCN1	1
NC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)CC1	1
O=C(CSc1ncnc2[nH]cnc12)NC[C@@H]1CCCO1	0
O=C(CC[NH+]1CCCCC1)c1ccc2c(c1)OCCO2	1
O=C1Nc2ccccc2/C1=N/N=C/c1ccc2c(c1)OCO2	0
CC(C)[NH2+]Cc1ccc(N(C)C)cc1	1
Cc1ccccc1NC(=O)CC[N@H+]1CCc2ccccc2C1	1
CC(C)(C)C(=O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O	0
N#Cc1cc(-c2ccccc2)[nH]c1N	0
O=C(NCC[NH+]1CCCC1)c1n[nH]c(=O)c2ccccc12	1
C[N+](C)(C)CC#CCCCC#CC[N+](C)(C)C	2
C[NH+]1CCN(CC[NH2+]Cc2cccn2-c2nnc(N3CCN(Cc4ccccc4)CC3)s2)CC1	2
C[C@@H]([C@@H](O)c1ccccc1)[N@@H+](C)CC(=O)N1CCOCC1	1
COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)C[NH+]1CCCC1	1
CC[C@@]1(C)C[C@](CC[NH3+])(c2ccc(C)cc2)CCO1	1
COc1ccc(OC)c([C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C)c1	1
C=CCc1c(C)nc(-c2ccccc2)[nH+]c1NN	1
COC(=O)c1cc(NC(=O)c2cccnc2)cc(C(=O)OC)c1	0
O=C(NC[n+]1ccccc1)c1ccccc1	1
CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)CC(C)C	2
c1ccc(-c2csc(N3CC[NH2+]CC3)n2)cc1	1
C[C@@H](CNC(=O)CN1CC[NH+](Cc2ccccc2)CC1)[NH+](C)C	2
CN(C(=O)c1ccco1)C1CC(C)(C)[NH2+]C(C)(C)C1	1
C[NH+](C)CCCOC1CC(C)(C)[NH+](C)C(C)(C)C1	2
C1=C(c2nc3ccccc3s2)C2CC[NH+]1CC2	1
C1=C(c2cc3ccccc3s2)C2CC[NH+]1CC2	1
C[NH+]1CCN(c2cc(-c3cccnc3)nc3ccccc23)CC1	1
Cc1nnc(OCc2cccc([N+](=O)[O-])c2)c2ccccc12	0
CCOc1ccc2c(C)nc(NC3=[NH+]C(C)(C)C=C(C)N3)nc2c1	1
COc1c(C)c[nH+]c(CO)c1C	1
C[N@@H+](C[C@@H](O)COc1ccc2c(c1)OCO2)C1CCCCC1	1
COc1ccc2c(c1)cc1n2CCNC1=[NH2+]	1
O=C1Cc2ccccc2Sc2c(OCC[NH+]3CCCCC3)cccc21	1
CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)C[NH2+]C	1
COC(=O)c1ccc(C[n+]2c(C)n(N)c3ccccc32)cc1	1
Cc1cn([C@@H]2CN(C(=O)C3CC[NH+](CCC(N)=O)CC3)C[C@H]2O)c(=O)[nH]c1=O	1
COc1cc2c(cc1OC)-c1cc(OCC[NH+](C)C)nc(=O)n1CC2	1
CN(C)c1c(C(C#N)=C(C#N)C#N)c2ccccc2n1C	0
COc1ccc(NC(=S)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(OC)c1	1
NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12	1
C[NH+]1CCN(c2nc(C(C)(C)C)cs2)CC1	1
c1ccc2nc(N3CC[NH2+]CC3)ccc2c1	1
CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(C)c(OC)cc1C	1
Nc1nc[nH+]c(N2CCCCC2)c1N	1
Cc1nn(Cc2nn[nH]n2)c(C)c1Br	0
OCC[NH+]1CCC(C2CC[NH+](CCO)CC2)CC1	2
[NH3+]CCCC[C@H]([NH3+])c1nnc([C@H](CC(=O)[O-])NC(=O)C2CC[NH2+]CC2)o1	2
CCC[N@H+]1CCC[C@@H]2Cc3nc(N)ncc3C[C@H]21	1
CC[NH+](CC)CCOc1cc(C)ccc1C(C)C	1
COc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc([N+](=O)[O-])cc3)CC2)cc1	1
OC[C@@H]1CCCC[N@H+]1Cc1ccccc1F	1
NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC=O)NC(=O)CCCCCCNC(=O)C1=O	1
CC(C)(C)OC(=O)N(CCC[NH3+])CCCCN(CCC[NH3+])C(=O)OC(C)(C)C	2
CN(C)C(=O)OCCC1([NH+](C)C)CC1	1
[NH3+]Cc1nc2ccccc2s1	1
CC(=O)OC1CC(C)(C)N(C(C)=O)C(C)(C)C1	0
NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]1C[NH2+]CCN1C(=O)C1CC[NH2+]CC1	2
C[N@H+]1CCC[C@H]1CCSc1ccncc1	1
Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1	-1
O=c1[nH]c2ccc(CC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2s1	1
CC[NH+]1CCN(CCN2CC3(CC[NH+](C(CO)CO)CC3)OC2=O)CC1	2
O=C1C[C@H](n2c(=S)oc3ccccc32)[C@H]2CO[C@@H]1O2	0
CCOC(=O)N1CC[NH+](CC2=CC[C@H]3C[C@@H]2C3(C)C)CC1	1
COc1cc2c(cc1OC)C[N@@H+](Cc1ccccc1N)CC2	1
CC(C)[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCC3(C)COC3)C2)CC1	2
Cc1ccc(N2CC[NH+](Cc3ccc4c(c3)NC(=O)CO4)CC2)cc1C	1
COC(=O)c1cc(NC(=[NH2+])NC(N)=[NH2+])cc(C(=O)OC)c1	2
Cc1ccc(N(C[C@@H](O)C[NH+]2CCC(C)CC2)S(=O)(=O)c2ccccc2)cc1	1
Cc1nc2n(CC[NH+]3CCCCC3)c3ccccc3n2c1C(=O)c1cccs1	1
COc1cc2cc(-c3ccc(OC)c(OC)c3C)[nH+]c(N)c2cc1OC	1
O=C(Cn1c(C2CC[NH2+]CC2)nc2cc(Cl)c(Cl)cc21)NNC(=S)NCCC[NH+]1CCOCC1	2
CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CCNC(=O)C2)c1=O	0
Cc1[nH]c2ccc(Cl)cc2c1C1=CC[NH2+]CC1	1
CC1(C)N=C(Nc2ccccc2Cl)NC(=[NH2+])N1	1
Cc1c(CCC(C)C)c(-n2cc[nH+]c2C)n2c(nc3ccccc32)c1C#N	1
C[NH+](C)CCN(Cc1ccc(Cl)s1)c1ccccn1	1
[NH3+][C@@H](CCc1ccc(F)cc1)c1ccc2c(c1)OCCO2	1
C[NH+]1CCN(c2nc(Nc3ccc(O)cc3)nc3ccccc23)CC1	1
C=C(C)CN(CC)C(=O)C1CC[NH+](C[C@@H]2CC=CCC2)CC1	1
O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NC1C[NH2+]C1	1
CCOC(=O)c1c(C)oc2ccc(O)c(C[NH+](C)C)c12	1
COc1ccc(C2(CNC(N)=[NH2+])CCCC2)cc1OC	1
NC(=O)C(c1ccccc1)(c1ccccc1)[C@H]1CC[N@@H+](CCc2ccc3c(c2)CCO3)C1	1
Nc1cc(-c2ccc(F)cc2)[nH+]c(N)n1	1
Nc1n(CCO)c2ccccc2[n+]1N	1
COc1cc2c(cc1OC)C(=O)CC(C)(C)O2	0
O=C(Nc1cccc(NC(=O)c2ccccn2)c1)c1ccccn1	0
CC1CCC([NH+]2CCN(C=O)CC2)CC1	1
O=C(NC1CCCC1)c1ccccc1Cl	0
Cn1c2c(c3ccccc31)C(=O)[C@@H](C[NH+](C)C)CC2	1
CC(C)(C)c1cc(N)nc(N)[nH+]1	1
O=C(c1cccs1)c1cnc2ccccn2c1=O	0
COc1ccc2c(c1)CC[N@@H+]1C[C@H]3CCCN(S(C)(=O)=O)[C@H]3C[C@@H]21	1
CNS(=O)(=O)[C@@H]1CCN(C(=O)NCC(=O)NCC(F)(F)F)C1	0
C[NH+](C)C[C@@H]1CCCC[C@@H]1c1cccc(O)c1	1
CCN1CCN(CC(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)C(=O)C1=O	0
COc1ccc(CN2c3cccc[n+]3C[C@]2(O)c2ccc(Cl)cc2)cc1	1
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1	-1
Cc1nc(C2=CCC[NH2+]C2)cs1	1
C(=C/c1ccccc1)\C[NH+]1CCN(c2ccccc2)CC1	1
CN(C)c1cc(NC(=O)C(=O)NC2CN(S(=O)(=O)N(C)C)C2)ncn1	0
O=[N+]([O-])c1ccc(SC2=[NH+]CCN2)c(Cl)c1	1
O=C(OCC[NH+]1CCCCC1)c1ccccc1F	1
C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H]2CCCCN2C1=O	1
[NH3+]CCc1c[nH]c2c(Cl)ccc(Cl)c12	1
C[N@@H+](CC(=O)N1CCCC1=O)Cc1ccccc1	1
O=C(Oc1ccc(Oc2ccccc2)cc1)N1CCOCC1	0
COc1cc(Br)cc(CNc2cc(C)cc[nH+]2)c1O	1
CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)s2)C1	1
COC(=O)[C@@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1[N@@H+]2C	1
Cc1ccc(OC[C@@H](O)C[NH+]2CCCC2)cc1	1
NC(=O)OC[C@@H](O)c1ccccc1	0
O[C@@H](COCc1ccccc1)C[NH+]1CCCC1	1
O=C(N1CC[NH2+]CC1)N1CCOCC1	1
C1CCN2C[C@@H]3C[C@@H](C[N@H+]4CCCC[C@H]34)[C@H]2C1	1
COc1ccc(C(=O)OC[C@@H]2CCC[N+]3(C)CCCC[C@@H]23)cc1	1
O[C@@H](COC[C@@H]1CC=CCC1)C[NH+]1CCCCC1	1
O=c1cccc2n1C[C@H]1C[NH2+]C[C@@H]2C1	1
COc1ccccc1C[NH+]1CCSCC1	1
COc1ccc2nc3n(c2c1)SCc1c(C)c(OC)c(C)c[n+]1-3	1
CC(C)(C)[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](CO)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])C(C)(C)C	2
COC(=O)c1n[n-]c(NC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)n1	-1
CN1CCO[C@@H](CNC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1	1
[NH3+]C(COCc1ccccc1)COCc1ccccc1	1
NC(=[NH2+])c1ccc(N2CCC(C3CC[NH+](CC(=O)[O-])CC3)CC2)cc1	1
C[NH2+][C@@H](C)[C@@H](O)c1ccc(O)c(O)c1	1
CCOc1cc([C@@H]2[NH2+]CCc3cc(OCC)c(OCC)cc32)ccc1O	1
Cc1[nH+]c2cc(N)ccc2n1CCO	1
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NCCc1c[nH]c2ccccc12	2
NC(=[NH2+])NCCCc1cccc2[nH]cc(OC(=O)[C@@H]3O[C@@](O)(CO)[C@H](O)[C@H]3O)c12	1
C[NH+]1CCC(NS(=O)(=O)CCCS(=O)(=O)NC2CC[NH+](C)CC2)CC1	2
O=C1C=CC[C@H]2[C@H]3CCC[N@H+]4CCC[C@H](CN12)[C@H]34	1
O=C(COc1ccccc1Br)NCCc1ccccc1	0
COc1cc(C[NH2+]Cc2cc(F)ccc2C)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1	2
CCCC(=O)Nc1c2c(nc3ccccc13)CCCC2	0
CC1[C@H](C(=O)N2CCOC[C@@H]2C(N)=O)[C@H]1C(=O)N1CCOC[C@@H]1C(N)=O	0
C[NH+](C)CCCn1c(=O)c2ccccc2c2ccccc21	1
Cc1cc(S(=O)(=O)NCC[NH+](C)C)c(C)s1	1
CC(C)(C)[NH2+]C[C@@H](O)COc1ccccc1-c1ccc(NN)nn1	1
CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nc(N)cc(N)[nH+]1	1
Cc1c(CC(=O)[O-])c2ccccc2n1C(=O)c1ccccc1	-1
CN(C)S(=O)(=O)N1CCCN(C(=O)NCCN2CCNC(=O)C2)CC1	0
CC1(C)N(O)CC(c2cccs2)[N+]1=O	1
C[N+]1(C)CCC[C@@H]1COC(=O)C(O)(c1ccccc1)c1ccccc1	1
C[NH2+]CCCNC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O	1
CC(=O)c1nnn(-c2ccc(Cl)cc2C#N)c1C	0
O=C(COc1ccc(Cl)cc1Cl)NC[C@@H]1CCCO1	0
O=C(NCCCN1CCOCC1)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C1CCCC1)C2	2
NC(=O)C1CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1	1
NC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)CC2)nc1	0
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C1(c2ccccc2)CCOCC1	-1
CC(=O)N[C@@H](Cc1cc(C)c(O)c(I)c1)C(=O)[O-]	-1
C[N@H+]1C[C@@H](CO)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21	1
CC1(C)CC(NC(=O)Cn2cccc([N+](=O)[O-])c2=O)CC(C)(C)[NH2+]1	1
COC1CC[NH+](C[C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1	1
CS(=O)(=O)N1CCN(CCNC(=O)N2CCC[C@@](O)(C(N)=O)C2)CC1	0
O=C(CNS(=O)(=O)c1ccccc1)N1CCc2ccccc2C1	0
NS(=O)(=O)c1ccc(Oc2ccc(S(N)(=O)=O)cc2)cc1	0
CCOC(=O)c1ccc(NC(=O)[N-]C(=O)C(F)(F)F)cc1	-1
COC(=O)[C@@H]1CNC(=O)CN1S(=O)(=O)N1CCS(=O)(=O)CC1	0
Oc1ccc(/C=N/c2nccs2)c(O)c1	0
c1ccc2c(C[NH+]3CCC(N4CCOCC4)CC3)c[nH]c2c1	1
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(F)cc1F	1
c1ccc(-c2nc(-n3ccnc3)nc(-n3ccnc3)n2)cc1	0
O=C(Nc1cccnc1)Nc1cccc([N+](=O)[O-])c1	0
C/C(=C/c1ccccc1)C[N@H+]1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	1
CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)c2ccco2)CC1	1
COc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C)c3)C(=O)[N-]C2=S)c(OC)c1	-1
Cn1c(=O)c2c(nc(N3CC[NH2+]CC3)n2C)n(C)c1=O	1
NC(=O)C1CC[NH+](C[C@@H](O)CSc2ccccc2)CC1	1
Cc1ccc(CNc2ccc3c(c2)[nH+]c(C)n3C)cc1	1
CCn1nncc1CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1	0
C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NC[C@@H]3CC[N@H+](C)C3)c2)CC1	2
C[NH+](C)CCNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1	1
CS(=O)(=O)N1CCN(CCNC(=O)NC2CC[NH+](CCO)CC2)CC1	1
CC(=[NH2+])Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCCC[NH+](C)C)n(C)c3)n(C)c2)n(C)c1	2
N=c1n(CC[NH+]2CCCC2)c2ccccc2n1C[C@@H](O)c1ccco1	1
[NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccco1	1
O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCCC3)n2)c1	1
NC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1	-1
CN1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCC[N@@H+](C)C3)CC2)CC1	2
CC(=O)Nc1ccc(S(=O)(=O)NC2Cc3ccccc3C2)cc1	0
C[C@@H]1CCCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CC(N)=O)C1	0
[NH3+]CC1(c2ccc3c(c2)OCCO3)CCOCC1	1
O[C@@H](C[NH2+]C1CCCCC1)c1ccccc1	1
C[C@H](O)CN(C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@@H](C)CO	1
CC(C)Cc1ccc([C@H](C)C(=O)NO)cc1	0
COc1ccc2c(c1O)-c1c3c(cc4c1[C@H](C2)[N@@H+](C)CC4)OCO3	1
CC(=O)Oc1c2c(c[n+](C)c1C)CO[C@@H](C)OC2	1
CC1(C)CC(NC(=O)Cc2ccccc2)CC(C)(C)[NH2+]1	1
c1ccc([C@@H]2CNC3=[NH+]CCN32)cc1	1
C[C@@H]([NH2+]CC1OCc2ccccc2CO1)c1ccccc1	1
OC1(c2ccc(Br)cc2)CC[NH+]([C@@H]2CCSC2)CC1	1
CC(C)[NH2+]C[C@@H](O)COc1cccc2c1C=CC2	1
CC[C@@H]([NH3+])C1(O)Cc2ccccc2C1	1
CN(CCCNC(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1)S(C)(=O)=O	2
CN(CC(=O)N1CCNCC1)C(=O)C[C@H]1CS(=O)(=O)CCN1C	0
COCC(=O)N1CCN(C(=O)C(=O)N2CCO[C@@H](CC(N)=O)C2)CC1	0
Cc1cc(C)nc(SCC[NH+]2CCCC2)n1	1
C[NH+](C)CCSc1nc2ccccc2c(=O)n1-c1ccccc1	1
COc1cccc([C@@]2(CC(=O)N(C)CCC[NH+]3CCCCC3)CC(=O)N(CC[NH+](C)C)C2=O)c1	2
CN(C)OC(=O)c1cccc2n(C)c(-c3ccccc3)c[n+]12	1
CCS(=O)(=O)C(=C1Nc2ccccc2N1)S(=O)(=O)CC	0
Cc1ccccc1OCC(=O)NN1CC[NH+](C)CC1	1
CC[NH+](CC)CCC(=O)c1ccc(OC)c(OC)c1	1
CC(=O)O[C@@]1(c2ccccc2)C[C@H](C)C[N@H+](C)C1	1
c1cc2c(cc1CC[NH2+]C1C3CC4CC(C3)CC1C4)OCO2	1
CC1(C)C[C@@H](C(N)=O)C(C)(C)[NH2+]1	1
c1ccc(N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1	1
Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1)C(C#N)=C(N)O2	0
c1ccc2c(c1)nc(N1CCOCC1)n2CC[NH+]1CCCCC1	1
OC12CC3C[C@@H](C1)C1([NH2+]CCS1)[C@H](C3)C2	1
Cc1ccc(CSC(N)=[NH2+])cc1	1
CC(C)c1ccc2[nH]cc(CC[NH+]3CCCC3)c2c1	1
CC(C)(C)[NH2+]CC(=O)c1c[nH]c2ccccc12	1
C[C@H]1CCC[C@@H](C)[N@H+]1CCNC(=O)C1CCN(S(C)(=O)=O)CC1	1
c1ccc(-c2nn(-c3ccccc3)[n+](-c3ccccc3)n2)cc1	1
CC(C)(C)c1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1	0
COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1	-1
COc1c2c(cc3c1[C@@H](C#CC[NH+]1CCCC1)N(C)CC3)OCO2	1
c1coc([C@@H]2OC[C@@H](C[NH+]3CCCCC3)O2)c1	1
C[C@H]1C(=O)O[C@@H]2[C@H]1CC[C@@]1(C)C(=O)C=C[C@](C)(O)[C@H]21	0
OC1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1	1
CCCn1c(=S)[n-]c2cc(C(=O)N3CCOCC3)ccc2c1=O	-1
C[NH+](C)CCN1C(=O)C[C@@](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)(c2cccc(F)c2)C1=O	2
O=c1[nH]c2ccccc2n1CCC[NH+]1CCN(c2ccc(F)cc2)CC1	1
C[NH+](C)CCC[C@]1(O)c2ccccc2CSc2sccc21	1
O=C(Nc1ccc(C2=[NH+]CCN2)cc1)c1cc2ccc(C3=[NH+]CCN3)cc2[nH]1	2
NS(=O)(=O)c1cc(C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)co1	0
CN(C)S(=O)(=O)N[C@@H]1C[C@H]2c3cccc4c3c(cn4C)C[C@@H]2[N@@H+](C)C1	1
CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1	2
Cc1ccc(C)c(C2=C(C#N)C(N)=C(C#N)C3=CC[N@H+](C)C[C@H]32)c1	1
Cn1cc2c3c(cccc31)C1CC(CNC(=O)OCc3ccccc3)C[N@@H+](C)C1C2	1
OC1(c2ccc(Br)cc2)CC[NH+](CCCc2ccccc2)CC1	1
C[C@H](c1ccccc1)[NH+]1CCN(C(N)=[NH2+])CC1	2
O=C(Nc1ccccc1C(F)(F)F)c1cccs1	0
CCN1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)s2)CCC1=O	2
N=C(NC(N)=[NH2+])N1N=CC[C@@H]1c1ccccc1	1
C[N@H+]1[C@H]2CC[C@@H]1CC(NC(=O)Nc1ccc(F)cc1F)C2	1
Cc1ccc(CNC(=O)N2CC[NH+](C)CC2)cc1	1
COC(=O)c1ccccc1CS(=O)(=O)N=C([O-])Nc1nc(OC)cc(OC)n1	-1
CCOC(=O)c1cnc2ccc(F)cc2c1NCC[NH+](C)C	1
Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)[O-])n1	-1
Cc1ccc(NC(=O)c2cccs2)cc1C	0
Cc1nnc2c(N3CC[NH+](C)CC3)nc3ccccc3n12	1
C[N+](C)(C)C[C@H](O)CSc1nnnn1-c1ccccc1	1
Cn1c(=O)c2c(ncn2C[C@@H](O)C/[NH+]=C/N2CCCCC2)n(C)c1=O	1
CN(C)c1c(F)cc(C(=O)NC(=O)NCc2cccnc2)cc1F	0
COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1	2
CC(C)(C)[NH2+]C[C@@H](O)COc1cccc2c1CCC(=O)N2	1
CC(=O)N/C(=C/c1ccccc1)C(=O)NCc1ccco1	0
CCS(=O)(=O)NCCS(=O)(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+]	1
Cn1c(NCCc2ccccc2)nc(-c2ccncc2)cc1=O	0
CC(=O)Nc1ccc2sc(C)[n+](CCO)c2c1	1
CC(=O)Oc1cc(C(=O)NC(C)(C)C)cc(C(=O)NC(C)(C)C)c1	0
C[NH+](C)CCOC(=O)C1(c2ccccc2)CCCC1	1
O[C@@]1(c2ccccc2)CN2CCCSC2=[N+]1c1ccc(F)cc1	1
CCc1ccc(NS(=O)(=O)c2ccccc2)cc1	0
Cn1cc2c(NC3=[NH+]CCN3)cccc2n1	1
O=C([O-])C[C@@H]1NC(=S)N(Cc2ccccc2)C1=O	-1
CCOC(=O)N1CC[NH+]([C@@H]2CC[C@@H](C)C2)CC1	1
NC1=[NH+]NC2=C(c3ccccc3C(F)(F)F)NNN12	1
NC1=[NH+]NC2=C(c3ccc(F)cc3)NNN12	1
Clc1ccc(C[NH2+]Cc2cccnc2)cc1	1
Cc1ccc(C[n+]2cccc(C(N)=O)c2)cc1	1
COc1ccc(Cl)cc1C(=O)Nc1ccc(C#N)cc1	0
COc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1	1
CCOC(=O)c1cc(CC)sc1NC(=O)CC[NH2+]C(C)(C)C	1
O=C(OCCn1ccnc1)c1ccccc1	0
OC[C@@H]1CCCC[N@H+]1[C@H]1CCc2ccccc2C1	1
CC(=O)O[C@H]1C[C@H]2CCC[C@@H]1[NH2+]2	1
CC1(C)C(c2ccco2)[N+](=O)C(C)(C)N1O	1
CN1CCC([NH2+]CC2CCCCC2)CC1	1
C[C@@H]([NH3+])[C@@H]1COc2ccccc2O1	1
CN1CCN(c2ccc(N3CC[NH+](C)CC3)nn2)CC1	1
C[NH+]1CCN([C@@H]2[C@@H](O)[C@H]([NH2+]Cc3ccccc3)[C@H]3CO[C@@H]2O3)CC1	2
O=C([O-])C1CC[NH+]([C@H]2CC(=O)N(c3ccccc3F)C2=O)CC1	0
C=CCn1cc(C=C2C(=O)[N-]C(=S)NC2=O)c2ccccc21	-1
CC(=O)N1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)CC1	0
CC(C)(C)OC(=O)[C@H](CC[NH3+])NC(=O)[C@@H]([NH3+])CCCNC(N)=N[N+](=O)[O-]	2
[NH3+]Cc1ccc(N2CCOCC2)cc1	1
CC1(C)N=c2ccc(=C(C#N)C#N)cc2N1	0
COc1ccc([C@@H](C(=O)O[C@@H](C)C[NH+](C)C)c2ccccc2)cc1	1
COC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1O	-1
CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@](O)(CC(N)=O)C2)CC1	1
CCC(=O)Nc1nc2ccccc2n1CC[NH+](C)C	1
[O-][n+]1cc(Cl)cc(Cl)c1N1CC[NH2+]CC1	1
O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc2ccccc2oc1=O	1
OCC[NH+](CCO)C[C@@H](O)C12CC3CC(CC(C3)C1)C2	1
C[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)C1	2
Fc1ccccc1N1CC[NH+](CCc2ccccc2)CC1	1
C[N@@H+](CCNc1ncnc2[nH]cnc12)Cc1ccccc1	1
CN(C)c1ccc(C[N@@H+](C)C[C@@H](O)c2ccccc2)cc1	1
O=C(c1ccc(F)cc1)N1CC[NH+](C2CCCC2)CC1	1
C[N+](C)(C)c1ccc(C=O)cc1	1
O=C(c1ccccc1)[C@@H](CC(=O)N1CCOCC1)c1ccccc1	0
[NH3+]C[C@@H](c1ccccc1)c1c[nH]c2ccccc12	1
NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)CNC(=O)C[NH3+])cc1Cl	1
COC(=O)C[C@@]1(C)OC[C@@H](C[NH+]2CCCCC2)O1	1
CCOC(=O)c1sc(N)c(C(=O)OC)c1C	0
Nc1ccc2nc(-c3cc(O)ccc3N)[nH]c2c1	0
Cc1ccc2c(c1)c1c3n2CC[N@H+](C[C@H](C)O)[C@H]3CCC1	1
CN(C(=O)[C@@H]([NH3+])Cc1ccccc1)[C@@H](CCC[NH3+])C(=O)Nc1ccc2ccccc2c1	2
CSc1nc(N(C)C)cc(N)[nH+]1	1
CC1(C)OC(=O)N2Cc3cccc[n+]3C[C@@]21O	1
CC(C)C#C[C@@]1(C(F)(F)F)OCC(=O)Nc2ccc(Cl)cc21	0
O=C([O-])c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1	-1
Cn1c(C[NH+]2CCCCC2)c(C#N)c2ccccc21	1
COc1ccccc1NC(=O)c1ccc[n+](C)c1	1
NC(=[NH2+])NN=Cc1ccccc1Cl	1
COc1cccc(C(=O)Nc2c3c([nH+]c4c2CCC4)CCCC3)c1	1
CCOC(=O)c1c(N)sc2c1CC(C)(C)[NH2+]C2(C)C	1
[O-]c1c(O)c(C[NH+]2CCCCC2)c2ccccc2c1C[NH+]1CCCCC1	1
Cn1c(=O)c2c(n(C)c[n+]2Cc2ccccc2)n(C)c1=O	1
COc1ccc(N2CCN(C(=O)NC(=O)c3ccccc3)CC2)cc1	0
O=C(Nc1c2c([nH+]c3c1CCC3)CCCC2)C1CCCCC1	1
O=C(CN1CC[n+]2c(-c3cccs3)csc21)c1ccccc1	1
C[C@@H](C[C@@H](C#CC[NH+](C)C)[NH+](C)C)CC(C)(C)C	2
c1cc(CC2=[NH+]CCN2)c2c(c1)OCO2	1
O=C(c1ccc2cc[nH]c2c1)N1CC[NH2+]CC1	1
O=C(C[NH+]1CCCC1)N1CCc2ccccc21	1
COC(=O)[C@@H](C#N)C1CC(C)(C)[NH2+]C(C)(C)C1	1
C[NH+](C)CCCn1cnc2c(=O)oc3ccccc3c21	1
Cn1c(=O)[nH]c(=O)c2c1ncn2CC[NH+]1CCCCC1	1
CC[NH+](CC)CCC[C@@H](C)Nc1cc[nH+]c2ccc(N(C)C)cc12	2
CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccccc1[N+](=O)[O-]	0
COc1ccc(-c2nc(C(=O)Nc3nn[nH]n3)cs2)cc1	0
Cc1cc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c(C)n1-c1ccnn1C(C)C	2
COc1cc(C[NH2+]Cc2cccnc2)ccc1OCC(N)=O	1
NS(=O)(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccccc2)CC1	0
N#CC1=C([O-])NC(=S)[C@@H](C(N)=O)C12CCCCC2	-1
C[N+](=O)Cc1ccc(Br)cc1	1
CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCN1Cc2ccccc2C1=O	2
CN1C[C@H](CC[NH+](C)C)Cc2ncccc2C1=O	1
C[C@]12C[N@H+](C3CC[NH2+]CC3)C[C@H]1C(=O)Nc1ccccc1C(=O)N2	2
COc1cc(-c2ccc[nH]2)c2c3c(ccc(F)c13)NC2=O	0
CC[n+]1c(-c2ccccc2)csc1C	1
C[NH+](C)CCSc1nnnn1-c1ccccc1	1
CC(C)NS(=O)(=O)N1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1	0
CC(C)C[NH+]1CCC(C(=O)NC[C@@H]2CCCO2)CC1	1
NC(=O)c1cc[n+](Cc2ccc([N+](=O)[O-])cc2)cc1	1
O[C@@H](COC1C2CC3CC(C2)CC1C3)C[NH+]1CCCCC1	1
COc1ccc(C(=O)N2CC[NH+](CCCc3ccccc3)CC2)cc1	1
COc1ccc(CC/[NH+]=C(\C)c2ccc3ccccc3c2)cc1OC	1
COc1c(-c2ccccc2)sc2nc(C)cc(C)[n+]12	1
CCC(O)(C#CC[NH+]1CCCC1)CC	1
CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1	2
OCC[N+]12CCC(CC1)[C@@H](C(O)(c1ccccc1)c1ccccc1)C2	1
COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)C2(CC[NH+](C)CC2)N1	1
C[NH2+]C[C@@H]1CCC[N@@H+](CCc2ccc(OC)cc2)C1	2
Cc1ccc2[nH]c(CC[NH+](C)C)c(CC#N)c2c1	1
C1=C(c2ccoc2)C2CC[NH+]1CC2	1
C[C@@H]1CCC[N@H+](C2CCNCC2)C1	1
CC[NH+](CC)c1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1	1
[NH3+]CCCOC[C@@H]1CCC[N@H+]2CCCC[C@@H]12	2
CC1(C)Cc2nc(-c3ccccc3)[nH+]c(NN)c2CO1	1
C[NH+](C)C[C@@]1(O)C2CN3CC[N@H+](C2)CC1(c1ccccc1)C3	2
NC(=O)c1ccccc1NC(=O)C([O-])=C(c1cnc2ccc([N+](=O)[O-])cc2n1)[N+](=O)[O-]	-1
CC1=C(C(N)=O)[C@@H](c2ccc(Cl)cc2Cl)N2NN=NC2=N1	0
O=C(Nc1cnccn1)c1c([O-])n2c3c(cccc3c1=O)CC2	-1
CN1CCN(C(=O)CCNC(=O)CNS(=O)(=O)c2cn(C)cn2)CC1	0
Cc1ccc([C@@H](Nc2cc(C)cc[nH+]2)c2c(C)[nH]c3ccccc23)cc1	1
Cc1cc(C(C)(C)C)cc(C)c1CC1=[NH+]CCN1	1
CCOC(=O)Cn1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c2ccccc21	-1
COc1ccc(C[C@H]2[NH2+]CCc3cc(OC)c(OC)cc32)cc1OC	1
NC(=O)C1CC[NH+](Cc2ccccc2Br)CC1	1
C[NH+](C)CCNc1oc(-c2ccc([N+](=O)[O-])cc2)nc1C#N	1
CCCC[S+](CCCC)Cc1ccc2cc1C(=O)NCC(=O)NCC(=O)NCCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N2	2
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2C[NH2+]1	1
CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1N1CC[NH+](Cc2ccccc2)CC1	1
O=C1C[C@@H]2CCC[C@H](C1)[N@H+]2Cc1ccccc1	1
OC1CC[NH+](Cc2ccsc2)CC1	1
O=S(=O)(c1cc(Cl)ccc1Cl)n1ccnc1	0
CCOC(=O)c1ncn2c1COc1cc(F)ccc1-2	0
COc1ccc(C[NH2+]CC2(c3ccccc3)CCCC2)cc1OC	1
CC[NH+](CC)C[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21	1
N#Cc1ccc[n+](Cc2cccc(C(F)(F)F)c2)c1	1
C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1	2
COC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1cn(Sc2ccccc2[N+](=O)[O-])c2ccccc12	2
CCOc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(N)=O	0
O=[N+]([O-])c1ccc(Cl)c(N2CC[NH2+]CC2)c1	1
C[C@@H]1CCC[N@@H+](CC(=O)N2CCC(c3ncc4c(n3)CC[NH2+]C4)CC2)C1	2
Cc1ccc(C[n+]2nc(C)n(N)c2C)cc1	1
CC(C)c1ccc(NC(=S)NC(N)=[NH2+])cc1	1
CCOc1c(C(=O)OC)cc(NC(N)=[NH2+])c(NC(C)=O)c1NC(N)=[NH2+]	2
O=C(CNS(=O)(=O)N1CCS(=O)(=O)CC1)NCC[NH+]1CCCCCC1	1
O=C(C[NH2+]Cc1ccco1)Nc1cccc(C(F)(F)F)c1	1
CC(C)([NH3+])Cc1ccc(F)cc1	1
CC(=O)Oc1cc(C(C)C)c(OCC[NH+](C)C)cc1C	1
CC[NH+]1CCC(O)(C#Cc2ccccc2)CC1	1
C[N@H+]1CCC[C@H](OC(=O)c2ccc3c(c2)OCCO3)C1	1
O=C([C@@H]1CCC[NH2+]1)N1CCN(c2cccc(Cl)c2)CC1	1
[NH3+]C1C[C@@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)C1	2
O=C(Nc1ccc2c(c1)C(=O)N(CCC1CC[NH+](Cc3ccccc3)CC1)C2=O)c1ccccc1	1
CN1C(=O)C[C@@H](NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1=O	0
COc1ccc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c(OC)c1	1
C[C@@H]([NH2+]Cc1ccccc1)[C@@H]1COc2ccccc2O1	1
[NH2+]=C1N[C@H](c2ccccc2)Nc2ccccc21	1
C=CC[N+]12COC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)OC2	1
C/C(=C\C(N)=O)c1ccccc1Br	0
CCC[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1	0
Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCN1C(=O)OC2(CC(C)(C)[NH2+]C(C)(C)C2)[C@]1(C)O	1
CN1CCN(c2cc3[nH]c(=O)[nH]c3cc2NC=C2C(=O)[N-]C(=O)N(C)C2=O)CC1	-1
CC(=O)CSc1n(C)cc[n+]1C	1
CC(C)NC(=[NH2+])NC(=N)Nc1ccc(Cl)c(Cl)c1	1
CC(=O)c1c(NN2CCOCC2)oc(C)cc1=O	0
CS(=O)(=O)NCCNc1cc([C@@H]2CCOC2)[nH+]c(NCCO)n1	1
FC(F)(F)c1cnc(C[n+]2ccccc2)c(Cl)c1	1
O=C1N=C(N2CCOCC2)CN1Cc1ccccc1	0
Cc1cccc(NC(=O)c2ccc(OCC(=O)[O-])cc2)c1C	-1
CCOC(=O)c1ccc(O)cc1	0
CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCC[N@@H+]2CC)c1O	1
CC(C)N1CC[C@@H](NC(=O)C(=O)N(C)C[C@@H](O)CN2CCOCC2)C1=O	0
CN(C)c1cc[n+](CN2C(=O)c3ccccc3C2=O)cc1	1
O=S(=O)(c1cccc2c(Cl)cccc12)N1CCC[NH2+]CC1	1
COc1ccc(Cl)cc1[N-]S(C)(=O)=O	-1
C[C@@H](Sc1nc(N)cc(N)[nH+]1)C(=O)Nc1ccccc1	1
COc1ccccc1/C=C/C[NH+]1CCSCC1	1
CN(Cc1ccc([N+](=O)[O-])s1)C1CC[NH+](C)CC1	1
[NH2+]=C1N[C@@H](Cc2cccs2)CS1	1
Cc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1C	0
COc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1S(=O)(=O)NCC[NH+](C)C	2
CCOC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)C1=O	0
C[C@H](SC(=O)c1cccs1)C(=O)N[C@H]1CCSC1=O	0
[O-][C@@]1(C(F)(F)F)CC(C2(CO)CCCCC2)=NO1	-1
COc1ccc(OC)c(/C=C/C(=O)Nc2nccs2)c1	0
CC(C)(C)[NH2+]C[C@H](O)COc1ccc(NC(=O)NC2CCCCC2)cc1	1
NC(=O)c1ccc[n+](CCC[n+]2cccc(C(N)=O)c2)c1	2
CC[NH+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1	1
Cc1ccccc1C[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1	1
O=C([O-])c1cc([N+](=O)[O-])ccc1Br	-1
CS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NN1CCOCC1	0
Nc1nnc(CC[NH+]2CCCCC2)s1	1
O=C(OCC[NH+]1CCCCC1)c1cccc(F)c1	1
COc1cccc(NC(=O)c2cc[n+](C)cc2)c1	1
CCOC(=O)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1	1
Cc1cccc(OC[C@@H](O)C[NH+]2CCC(C)CC2)c1	1
O=C1NCC[C@H]1[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1	1
COc1cccc(CN(C)C2CC[NH+](C)CC2)c1	1
[NH3+]Cc1ccc(-n2cccc2)cc1	1
O=c1[nH]c2ccccc2c(=O)n1CC[NH+]1CCSCC1	1
Nc1c(NC2CC[NH+](Cc3ccccc3)CC2)c2ccccc2oc1=O	1
CN1C(=O)C[C@H]([NH2+]Cc2ccc3c(c2)OCO3)C1=O	1
Cc1ccc2[nH]c(-c3cc[n+](C)cc3)cc2c1	1
O=c1c2ccc[nH]c-2cn1Cc1ccc(F)cc1	0
Nc1nccn2c(Cc3c(F)cccc3F)nnc12	0
Oc1cc2c(c(Cl)c1O)CC[NH2+]C[C@H]2c1ccccc1	1
CC[NH2+][C@H](Cc1ccccn1)c1sccc1C	1
O=C(CSc1nnc2n1CCCCC2)Nc1ccc(F)cc1	0
[NH3+]C1(c2cccc(Cl)c2)CCC1	1
C[C@@H](Sc1ccccc1Cl)C(=O)NCC1CC1	0
N#Cc1cccnc1N1CC[NH2+]CC1	1
COc1cc2[nH+]c(N(CCO)CCO)nc(N)c2cc1OC	1
COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1	2
CC1CC[NH+](C2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)CC1	1
CC[C@H]1Cn2cc([N+](=O)[O-])nc2O1	0
CN(c1ccc(O)cc1)c1nc(O)c([C@@H]2SC(=O)[N-]C2=O)s1	-1
COc1ccc(NC2=[NH+]CCOC2)cc1	1
CC[NH+]1CCN(c2cc(SC(C)C)nc(-c3ccc(OC)cc3)n2)CC1	1
C[NH+](C)CCN(Cc1cc2ccccc2o1)c1ccccn1	1
Cc1ccc(CCS(=O)(=O)c2ccc(C(C)C)cc2)c[n+]1C	1
COCC(=O)N1C[C@H]2C[NH2+]C[C@@]2(C(=O)NC(C)(C)C[NH+]2CCCC2)C1	2
CC(C)[NH2+]C[C@@H](O)c1ccc(NS(C)(=O)=O)cc1	1
NC(=O)C1CCN([C@@H]2[C@@H](O)[C@H]([NH2+]Cc3ccc(F)cc3)[C@H]3CO[C@@H]2O3)CC1	1
C[NH2+][C@H](Cc1ccccc1N)c1sccc1C	1
Cn1nc(-c2cccnc2)nc1-c1ccccc1CO	0
Cc1ccccc1N1CC[NH+](CCc2nnc3n2CCCC3)CC1	1
COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C)C2)c(OC)c1	1
C[N@H+]1CCC[C@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCCC2)C1	1
c1ccc(Cn2c(N3CC[NH2+]CC3)nc3ccccc32)cc1	1
NC1=[NH+][C@@H](c2c(O)ccc3ccccc23)C=NN1	1
COc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)c([N+](=O)[O-])cc1OC	1
C[C@@H]1O[C@@](O)(c2ccc([N+](=O)[O-])cc2)CC[N+]12CCCCC2	1
CC[C@@]1(C)N(O)C(C)(C)C(c2ccc(OC)cc2)[N+]1=O	1
C[C@@H]1O[C@@](O)(c2ccc(Cl)cc2)C[N+]12CCCCC2	1
CC(=O)c1sc2nsc(SCC[NH+]3CCCCC3)c2c1N	1
Cc1ccc(NC[C@@H](O)CNC(N)=[NH2+])c(Br)c1	1
CCC[NH+]1CCN(c2nnc(-n3cccc3C[NH2+]C3CCCC3)s2)CC1	2
Cc1ccc2ccc([C@H](Nc3cccc(C)[nH+]3)c3ccccn3)c(O)c2n1	1
N#Cc1cc2ccccc2c[n+]1N	1
CS(=O)(=O)N1CCN(CCNC(=O)NCCN2C(=O)CCC2=O)CC1	0
Cc1ccc(C[N@H+]2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)o1	1
COc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccc(OC)c(OC)c3)C2=O)cc1Cl	1
C[C@@H]1CSc2nnc(-c3cccc([N+](=O)[O-])c3)n21	0
C[C@@H](CNC(=O)C(=O)NCCC1CC[NH+](C)CC1)CN1CC[NH+](C)CC1	2
CC(=O)N[C@@H]1[C@@H](NC(N)=[NH2+])C=C(C(=O)[O-])O[C@H]1[C@@H]1C[C@@H](O)[C@@H](O)CO1	0
COc1ccc(/C=N/C2=NNC(=O)[C@@H](CC(=O)[O-])S2)cc1	-1
Cc1c(C[NH2+]C2CC[NH+](C(C)C)CC2)cc(C#N)n1C	2
CS(=O)(=O)N(CC(=O)Nc1ccccc1F)c1ccccc1F	0
C(=[NH+]NC1=NCCCCC1)c1ccc(N2CCOCC2)cc1	1
CC1(C)CC(NC(=O)c2cncc(Br)c2)CC(C)(C)[NH2+]1	1
CS(=O)(=O)N1N=C(c2cccc([N-]S(=O)(=O)c3ccccc3)c2)C[C@@H]1c1ccco1	-1
CCN(c1ccccc1C)S(=O)(=O)c1ccc(F)cc1	0
N=C(NC(N)=[NH2+])Nc1ccc(F)c(Cl)c1	1
O=C(C[C@@H](c1ccccc1O)[NH+]1CCCCC1)N1CCCCC1	1
COC(=O)[C@@H]1OC2(CCCC2)O[C@H]1C(=O)OC	0
O=C(Nc1ccc(C2=[NH+]CCN2)cc1)Nc1ccc(C2=[NH+]CCN2)cc1	2
COc1ccc([C@@H](C)[NH3+])cc1OC	1
CC(=O)NCCC(=O)N1C[C@@H]2C[C@@H](O)C[N@@H+]2C2(C1)CN(C(=O)CCNC(C)=O)C2	1
CC[C@H]1CCNc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21	0
C[NH+](C)CCNC(=O)Cn1c(=S)[nH]c2ccccc2c1=O	1
CC[NH+](CC)CCOc1ccccc1OC	1
COc1cc(C(=O)NCC2([NH+](C)C)CCCC2)cc(OC)c1OCc1ccccc1	1
COc1ccccc1[C@@H]1NC(=O)NC(C)=C1C(=O)OCC(C)C	0
Cc1cc(=O)oc(C)c1C(=O)NCC[NH+]1CCCCC1	1
C[NH+](C)CCNc1c2c(c(C#N)c3nc4ccccc4n13)CCC2	1
CC1CCC([NH2+]C2CCC(O)CC2)CC1	1
O=c1cc(N2CC[NH2+]CC2)nc2ccccn12	1
Nn1c(SCC(=O)Nc2ccccc2F)nc2ccccc2c1=O	0
COc1cc2c3c(n(CCC[NH2+]CCCNCC[NH3+])c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2	2
COc1ccc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1	1
CC[NH+](CC)c1ccc(-n2cc3c(=O)n(C)c(=O)n(C)c3c2)cc1	1
COCc1c(N)c(C)nc(Cl)c1C#N	0
COc1ccc([C@@H]2[NH2+]CC[C@@]3(O)CCCC[C@@H]23)cc1OC	1
C[C@@H](O)CNc1[nH+]c2ccccc2n1C	1
CN(c1ccc(C2=[NH+]CCN2)cc1)S(=O)(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C3=[NH+]CCN3)cc2)c1	2
Cc1c(Cl)c(Cl)nc(C(=O)[O-])c1Cl	-1
NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1	2
Cc1cc(C)nc(S[C@@H](C)C[NH+](C)C)n1	1
O=C(C[C@@H]1[NH2+][C@H]2CCCC[C@@H]2NC1=O)Nc1ccc(F)cc1	1
CC1(C)CC(NC(=S)Nc2ccccc2)CC(C)(C)[NH2+]1	1
[NH2+]=c1ccn(Cc2ccc([N+](=O)[O-])cc2)cc1	1
C[C@@H](CC[NH+]1CCN(C=O)CC1)c1ccccc1	1
CCCc1cc(=O)oc2cc(O)cc(O)c12	0
Cc1cc(Br)ccc1NC(=O)CSc1nncn1C	0
O=C1NCC2(CC[NH+](CCc3ccccc3)CC2)O1	1
CC(=O)N1CCC([NH2+]C2CC2)CC1	1
COC(=O)c1ccc(C[N+](C)(C)CN2CCCC2=O)cc1	1
CC[C@@H](C(=O)Nc1ccc(C(=O)OC)cc1)c1ccccc1	0
COc1cccc(OC)c1C(=O)c1cc[n+](C)cc1	1
C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3	1
O=C1[N-]C(=S)NC1=Cc1ccc2ccccc2c1	-1
CC(=O)O[C@@H]1[C@H]([NH+]2CCCCC2)c2c(ccc(/C=C/C(=O)N3CCCCC3)c2O)OC1(C)C	1
CC(=O)OCC[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)OCO2	1
COc1cccc(C(=O)NCc2ccc(C)cc2)c1	0
c1ccc2c(c1)CCO[C@@H]2C1=[NH+]CCN1	1
CC[n+]1ccc(/C=C/c2ccc(OC)cc2OC)cc1	1
C[n+]1cc(C(=O)NCC[N+]2(C)CCCCC2)ccc1/C=N/[O-]	1
CC1(C)[C@H]2CC=C(C[NH+](CCO)CCO)[C@@H]1C2	1
c1ccc(N2CC[NH+](Cc3ccsc3)CC2)nc1	1
C[NH+](C)CCn1cnc2ncccc2c1=O	1
C[NH+]1CCN(c2ccc(N)cc2F)CC1	1
NC1=[NH+]C[C@@H]2CCCC[C@@H]2S1	1
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)n1cnc2ccccc21	0
CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1	1
COc1ccc(CCNC(=O)c2cccc([N-]S(=O)(=O)c3cccc(F)c3)c2)cc1OC	-1
COc1ccc(CN2CCC([N@H+]3CCC[C@@H](C)C3)CC2)cc1	1
Cc1ccc(N2C(=O)[C@@H]([NH+]3CCCCC3)[C@@H](C)C2=O)cc1	1
COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)cc1)[N+](C)(C)CC2	1
C[NH+]1CCN(/N=C/c2ccc(Cl)cc2)CC1	1
C[NH+](C)CCOc1cccc(C[NH2+][C@H]2C[C@H]3C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N3C2)c1	2
Cc1cc(C)c2oc(N3CC[NH2+]CC3)nc2c1	1
Cc1nc2cc(S(=O)(=O)C(F)(F)F)ccc2s1	0
CNS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3C=C[C@@H]2C3)cc1	0
Cc1cc(NCc2cccnc2)nc(N)[nH+]1	1
COc1ccc(C2=[NH+][C@@H](c3ccc(OC)cc3)[C@H](c3ccc(OC)cc3)N2)cc1	1
COc1ccc(N2C(=O)C[C@@H]([N@@H+](C)CCc3ccc(OC)c(OC)c3)C2=O)cc1	1
CC(=O)Nc1ccc(C(=O)[O-])cc1NC(C)=O	-1
CCN(C(=O)c1cc(C)cc(OC[C@H](C)Nc2cc[nH+]cc2)c1)C(C)C	1
COc1cc(NC(=S)N2CCC(C(N)=O)CC2)cc(OC)c1	0
COC(=O)[C@@H](C)ON1C(=O)c2ccccc2C1=O	0
NC(=O)C1=C[C@]2([N+](=O)[O-])CN(CC(=O)[O-])C[C@]([N+](=O)[O-])(C1)C2	-1
C[N@@H+](CCCn1c(=S)[nH]c2ncccc2c1=O)Cc1ccccc1	1
O=C([O-])C[NH2+]Cc1ccccc1O	0
C[C@H](NS(C)(=O)=O)C(=O)N[C@@]1(C)CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1	0
c1ccc2c(C3CC[NH2+]CC3)c[nH]c2c1	1
C=CCn1c(SCC(N)=O)nc2sc(CC)cc2c1=O	0
Cn1c(NCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C	0
CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccnc4)c3C)C(=O)[N-]C2=S)cc1	-1
Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O	0
COc1cc(C(=O)NC2CC[NH+](C)CC2)nc2ccccc12	1
Cc1cccc(COc2ccc(C(=S)N3CC[NH+](C)CC3)cc2)c1	1
CC1=[NH+]CCc2c1[nH]c1cc(O)ccc21	1
C[NH+]1CCN(C(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1	1
C=C[C@]12C[N@H+](C)[C@@H]3[C@H]4CO[C@H](C[C@H]41)[C@]1(C(=O)Nc4ccccc41)[C@@H]32	1
COc1ccc(COC[C@@H](O)C[NH+]2CCCCC2)cc1OC	1
Cc1[nH+]c(N)nc(N)c1-c1ccc(Cl)c(Cl)c1	1
O=C(CC[NH+]1CCN(c2ccccn2)CC1)N1CCC([NH+]2CCCC2)CC1	2
COC(=O)c1ccccc1NC(=O)Cc1cccs1	0
CC(=O)N1CCC[C@H]1C#CC[NH+](C)C	1
N#Cc1ccc2[nH]c([C@@H](O)[C@H](O)c3nc4ccc(C#N)cc4[nH]3)nc2c1	0
Cc1ccc(NC(=O)C[NH+]2CCC(C(N)=O)CC2)cc1	1
NC(=O)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1	1
COc1ccccc1N1C(=[NH2+])NC(=[NH2+])N[C@@H]1c1ccccc1	2
COc1c2c(cc3c1[C@@H](CC(C)=O)[N+](C)(C)CC3)OCO2	1
COc1ccc2c(C)cc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2c1	1
FC(F)(F)c1cccnc1N1CCC[NH2+]CC1	1
CN1C(=O)C[C@H]([NH+]2CCC(C(N)=O)CC2)C1=O	1
COC(=O)[C@@H]1CN(C(=O)NCCNS(=O)(=O)NC(C)C)CC[N@@H+](C)C1	1
CCN(C)C(=O)CNC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1	0
Cc1nc[nH]c1C[NH+]1CCC([C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1	2
CCOC(=O)C1CC[NH+](CC[C@@H](O)C(F)(F)F)CC1	1
O=C1[C@@H]([NH+]2CCCCC2)CCN1c1ccccc1	1
CN1CCN(Cc2ccc3[nH]cc(CC[NH3+])c3c2)S1(=O)=O	1
O=C1C[C@@H]([NH2+]CCN2CCOCC2)C(=O)N1c1ccc(N2C(=O)C=C(NCCN3CCOCC3)C2O)cc1	1
C=Cn1n[n+](C(C)(C)C)nc1C	1
CCOC(=O)NC(=O)c1cn(CC[NH+](C)C)c(=O)[nH]c1=O	1
Cc1ccc(NC(=O)CSc2nccn2C)cc1Cl	0
[NH3+]CCCC[C@@H](NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)C[NH3+])C(=O)[O-]	1
COc1ccc(N2CC[NH+](Cc3cccc(C)c3)CC2)cc1	1
N#CCNC(=O)CNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1	0
CNC(=O)NC[C@@H]1CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCO1	2
C[NH+](C)CCNC(=O)C12CCC3C[C@@H](C[C@@H](C3)C1)C2	1
Cc1cc(=O)oc2cc(NC(=O)[C@@H](CCCC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[NH3+])ccc12	2
CN(C)c1ccc(/C=[NH+]/NC(=S)NC(C)(C)C)cc1	1
Nc1nonc1NC(=O)CO[C@@H]1C[NH+]2CCC1CC2	1
O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1CC[NH2+]C1CCCCC1	1
C[NH+](C)CCNc1ncnc2ccccc12	1
COCC[NH+]1CCC[C@@H]1CNC(=O)C(=O)N1CCC([N@@H+](C)CCO)CC1	2
C[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(F)cc1	1
CC(C)(/C=N/O)[N+](=O)Cc1ccccn1	1
CCn1c(C)[n+](C[C@@H](O)COc2ccccc2)c2ccccc21	1
CNC(=O)C[NH+]1CCC(NC(=O)NCCCn2ccnc2)CC1	1
O=C(O[C@@H]1C[NH+]2CCC1CC2)C(O)(c1ccccc1)c1ccccc1	1
COc1ccc(C(=O)OCC[N+]2(C)CCOCC2)cc1	1
C[NH+](C)CCNC(=O)Nc1ccc(Cl)c(Cl)c1	1
COC(=O)C1=CNN[C@@H]1C(=O)NC1CCCCC1	0
C[n+]1cnc2n(Cc3ccccc3)cnc(N)c1-2	1
COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)cc1)[N@@H+](C)CC2	1
O=C([O-])Cc1csc(NC(=O)c2ccccc2)n1	-1
COc1nc(C)c(CC(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)c(OC)n1	2
CC(C)[C@@](O)(C#CC[NH+]1CCCCCC1)c1ccccc1	1
CCOc1ccc(C(=O)NCc2ccccc2)cc1	0
CC[NH+](CC)CC(=O)Nc1ccc(Br)cc1	1
CC[NH+](CC)CC(=O)Nc1cc(Cl)ccc1Cl	1
COc1ccccc1N1CC[NH+](CCCN2C(=O)[C@@H]3CCCCN3C2=O)CC1	1
CC(C)(O)[C@@]1(C)[NH2+]CCc2ccccc21	1
CCc1nsc([C@H]2C[NH+]3CCC2CC3)n1	1
Cc1ccccc1-c1coc2cc(OCC(=O)[O-])cc(Cl)c2c1=O	-1
CC(=O)O[C@@H]1CC[NH2+][C@@H]2CCCC[C@H]21	1
C[N@H+]1[C@H]2CC[C@@H]1CC(OC(=O)CC[NH+]1CCCC1)C2	2
O=C1C[C@@H]2OCC=C3C[N@H+]4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46	1
Cc1ccc2[nH]c(CC[NH3+])cc2c1	1
CCc1[nH]c(=O)n(C(=O)C(C)C)c1C(=O)c1ccc(-n2cc[nH+]c2C)cc1	1
CC(=O)Nc1nonc1Nc1cc(C)nn1-c1ccccc1	0
O=C(OCC[NH+]1CCCCC1)C(O)(c1ccccc1)c1ccccc1	1
OC1CC[NH+](Cc2ccc3c(c2)OCO3)CC1	1
COc1ccc(O)c(Cc2[nH+]ccn2C)c1	1
c1ccc(C[NH2+]C[C@@H]2CCCO2)nc1	1
Cc1ccc2[nH]c(CC[NH+](C)C)c(CN3CCOCC3)c2c1	1
O=C(NCCc1ccccc1)c1ccccc1Br	0
OC[C@@H]1O[C@H](C[NH2+]C2CCOCC2)[C@H](N2CCN(c3ncccn3)CC2)[C@@H]1O	1
[NH3+][C@@H](CC[C@@H]([NH3+])C[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)C(=O)[O-]	1
Cc1ccc(N2[N-]C(=O)/C(=C\c3ccccc3)C2=O)cc1	-1
O=c1oc2ncccc2n1CC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1	1
CNS(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC[NH2+]CC2)cc1C	1
CCOC(=O)C[C@@H]([NH3+])c1ccccc1Cl	1
Cc1ccc(C)[n+](CNC(=O)c2ccc(Cl)cc2Cl)c1	1
C[NH+](C)CCOC(=O)c1ccccc1	1
OCn1nc(-c2ccc(Cl)cc2Cl)oc1=S	0
OC[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)OCO2	1
COC(=O)Cc1c(C)c2ccc([O-])c(C[NH+]3CCCCC3)c2oc1=O	0
c1ccc(C[NH+]2CCOCCOCCOCC2)cc1	1
C[NH+](C)CCNC=C1C(=O)[N-]C(=O)N(CCc2ccccc2)C1=O	0
C[C@@H]([NH3+])C1CCC(C(=O)Nc2ccnc3[nH]ccc23)CC1	1
NNc1[nH+]cnc2c1[nH]c1ccccc12	1
O=C(Cc1ccc(Br)cc1)NCc1ccccc1	0
Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccccc3F)ccc21	0
CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCN1C=N[C@@H]2C(=O)NC(=N)N[C@H]21	1
Cc1ccccc1NC(=O)C[N+]12CC[N+](CC(=O)Nc3ccccc3C)(CC1)CC2	2
C[C@@H]1CN(C2CC[NH2+]CC2)C[C@@H](C)O1	1
CNc1nc(Br)cn2cc(C#N)nc12	0
Cc1cc(N(C)C)c(C#N)c(N)[nH+]1	1
C[N+](C)(C)CCNC(=O)c1cc[n+](Cc2ccccc2)c(/C=N/[O-])c1	1
c1cc2c3c(c1)ccc[n+]3CCS2	1
CC[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(OC)cc12	1
C[NH+](C)Cc1ccccc1-c1cncnc1Nc1cc[nH+]cc1	2
C[N@@H+](CCOC(=O)c1cccs1)Cc1ccccc1	1
CCc1nn(CC[NH3+])c2c1ccc1occc12	1
COc1cc(NC(=[NH2+])NC(N)=[NH2+])c2ncccc2c1	2
CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1	2
c1ccc(N2CC[NH+](CCNc3ncnc4c3CCCC4)CC2)cc1	1
CC(=O)Nc1ccc(O[C@H]2O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]2O)cc1	-1
O=C(Cn1ccc(=[NH+]Cc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1	1
O=C(Oc1ccc(Br)cc1)N1CC[NH+]2CCC1CC2	1
O=C1C=CC(=O)N1C1CC[NH+](Cc2ccccc2)CC1	1
Nc1c(-[n+]2ccccc2)c(=O)[nH]c2ccccc12	1
O=C(c1cccnc1)N1CC[NH+](C2CCCC2)CC1	1
CCn1cc(C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(C)CS[C@@H]23)c(C)n1	-1
Cc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1	2
CC(=O)c1cc(C[NH+](C)C)c2ccccn12	1
Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CCN(c2ccccn2)CC1	1
COC(=O)NC(=S)N1CC[NH+](C)CC1	1
COC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	0
CS(=O)(=O)N1CCN(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CC1	1
CC(C)N(C(=O)Cn1ccc(=[NH2+])c2ccccc21)C(C)C	1
C[NH+](C)CCNC(=O)c1ccc2[nH+]c3ccccc3c(N)c2c1	2
CC1(C)C(c2ccccc2)[N+](=O)C(C)(C)N1O	1
CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1	2
COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1	1
CSc1cccc(NC2CC[NH+](CCc3ccccc3)CC2)c1	1
COc1cc(N)c(Cl)cc1C(=O)OCC[NH+]1CCCCC1	1
CO[C@@H]([C@H](O)CO)[C@@H]1OC(C(=O)[O-])=C[C@H](NC(N)=[NH2+])[C@H]1NC(C)=O	0
CC[C@@H]([NH2+]C(C)C)[C@@H](O)c1ccc(O)c(O)c1	1
CNc1cc(OC)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1Cl	1
COc1cc2c3c(c1O)-c1c(cccc1OC)C[C@@H]3[N+](C)(C)CC2	1
COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1Cc1ccccc1	0
CC[NH+](CC)CCn1c(=O)c2nc[nH]c2n(C)c1=O	1
COC(=O)/C=C/C(=O)NC[C@@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)[O-]	1
COC(=O)CCC(=O)Nc1nccs1	0
COc1ccc(CCNC(=O)C(=C([O-])c2ccccc2)n2cc(Cl)ccc2=O)cc1OC	-1
Cc1noc([C@H]2C[C@H]3CC[C@@H]2[NH2+]3)n1	1
C[C@@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCN(S(C)(=O)=O)CC1	0
COc1cc2c(cc1OC)C(=O)[C@@H](CC1CC[NH+](Cc3ccccc3)CC1)C2	1
Cc1cnc(NC(=O)c2ccccc2C(=O)[O-])c(Br)c1	-1
C[C@@H]1CC[C@@H]2[C@]3(C)O[C@]4(C)CC[C@@]21C[C@@H]4[C@@H]3[NH2+]CCCC[N@@H+](C)CCCN(C)C	2
Cc1nn2c3ccccc3n(C)c2c1C(=O)OCC[NH+](C)C	1
CC(=O)C(=O)N(CC[NH+]1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1	2
O=C(NC1CC[NH+](C2CC2)CC1)N1CCC(C[NH+]2CCOCC2)CC1	2
Cc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)cc1	1
C[NH+]1CCC[C@@H]1CC(=O)C[C@@H]1CCC[N@H+]1C	2
CC[NH+](CC)CCOc1nnc(-c2ccccc2)c2ccccc12	1
Cc1cc(C[NH3+])c(C(F)(F)F)o1	1
C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1	2
CC(C)[NH2+]C[C@@H](O)COc1ccccc1C1CC1	1
CCN1CCC([N@H+]2CCCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)CC2)CC1	1
Cc1[nH]c2nc(=O)sc-2cc1-c1ccncc1	0
CC[NH+]1CCC([NH2+]CCCN2CCOCC2)CC1	2
O=C(CSC1=[NH+]CCN1)[C@H]1COc2ccccc2O1	1
Cc1ccc(NC2=[NH+]C(C)(C)NC(=[NH2+])N2)cc1	2
COc1cc(CC[NH3+])c([N+](=O)[O-])cc1OC	1
COC(=O)C1(c2ccccc2Cl)CC[NH2+]CC1	1
[NH2+]=C1c2c(sc3c2CCCC3)N[C@@H]2CCCCCN12	1
[NH2+]=C1N[C@@H](Cc2ccsc2)CS1	1
CS(=O)(=O)NC1CC[NH+](Cc2ccccc2)CC1	1
CCCn1oc2c(c1=O)CC[NH2+]CC2	1
Cc1c(C#N)c2ncn(CCC[NH+](C)C)c(=O)c2n1-c1ccccc1	1
C[C@@H]1SC(=[NH2+])N[C@H]1Cc1ccncc1	1
CCOC[C@@H](O)C[NH+]1CCN(C(=O)NCCCN2C(=O)CNC2=O)CC1	1
COc1cc(-c2[nH+]c3ccccn3c2N)ccc1O	1
C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1	2
Cc1cc(C)n2nc(S(=O)(=O)Nc3ccccc3Cl)nc2n1	0
NS(=O)(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1	0
NC(=O)C1CC[NH+](C2(n3nnc4ccccc43)CCCCC2)CC1	1
C[NH+]1CCN(c2c(N)c(=O)oc3ccccc23)CC1	1
Cc1ccc(C2(O)CC[NH+](CCNC(=O)C[NH+]3CCCCCC3)CC2)cc1	2
Nc1cccc(-n2c(=O)n(Cc3ccccc3)c(=O)c3nc[nH]c32)c1	0
CC[NH+](CC)C[C@@H](O)CNC1=NS(=O)(=O)c2ccccc21	1
CC1(C)CC(O)CC(C)(C)N1O	0
O=C(NC1CC1)[C@@H]1CC=CC[C@H]1C(=O)OCC(F)(F)C(F)F	0
CNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1	0
CCOC(=O)c1c(C)n(C)c2ccc(O)cc12	0
C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCCCC1	1
Cc1ccoc1C(=O)N1CC[NH2+]CC1	1
CN1CC[NH+]=C(c2ccccc2)c2cc(Cl)ccc21	1
c1ccc(C[NH+]2CCC(N=Nc3ccc4nncn4n3)CC2)cc1	1
CC(=O)Nc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1	1
COc1ccc(C2C(C#N)(C#N)C2(C#N)C#N)cc1	0
C1C[N+]2(CCN1)CC[N+]1(CCNCC1)CC2	2
O=C([N-]S(=O)(=O)c1ncn(Cc2ccccc2)n1)NC1CCCCC1	-1
CC[NH+](CC)C[C@@H](O)c1cccn1-c1ccc(C[NH3+])cc1	2
CS(=O)(=O)N1CCN(S(=O)(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)CC1	0
C[C@@H]1OCC[C@@H]1NC(=O)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1	0
Clc1ccccc1C[NH+]1CCN(c2ccccn2)CC1	1
O=C([C@@H]1CCC[NH2+]1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	2
Cn1cc(S(=O)(=O)N2CC(NS(C)(=O)=O)C2)c(=O)n(C)c1=O	0
Nc1sc2c(c1C(=O)NCCc1ccccc1)CCCC2	0
NC(=O)CSc1nnnn1C[C@@H](CC(=O)[O-])c1ccccc1	-1
NS(=O)(=O)c1ccc(NC(=S)N2CCN(c3ccccc3)CC2)cc1	0
Cc1c(C#N)c2ccccc2n1CC(=O)NCc1ccco1	0
CC(C)[N+]1(C)CC[C@H](O)N1C=O	1
CS(=O)(=O)N1CC[NH+](C2CCCCCC2)CC1	1
Cn1c2c(c(=[NH2+])c3c1CCC3)CCC2	1
Nc1cc(N)[nH+]c(SCc2ccc(C(=O)N3CCOCC3)cc2)n1	1
O=C(CN1CCCC1=O)NCC12CCC[NH+]1CCC2	1
[NH2+]=C1CCCN1CC(=O)c1ccc(Br)cc1	1
COc1ccc(CN2CCN(C(=O)C[NH3+])CC2)c(OC)c1OC	1
O=C(NCc1nc[nH]n1)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](Cc1ccccc1)C2	2
CC[NH+](CC)CCOc1ccc2nc(N(C)C)sc2c1	1
CC(C)[NH2+]C[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21	1
OCC[NH+](CCO)Cc1ccc(Br)cc1	1
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(C)CC1	1
CCC[C@@H](C)[NH2+]Cc1ccc(Cl)cc1	1
O=c1cnn2c(=O)/c(=C\c3ccccc3Br)sc2n1	0
CCOC(=O)C1=C(O)CC[NH2+]C1	1
CC[NH+]1CCN(c2ncnc3ccc(Br)cc23)CC1	1
CC[NH+](CC)C[C@H]1COc2ccccc2O1	1
C[C@@H](Cc1ccc2c(c1)OCO2)[NH2+]C[C@H](O)c1ccc(O)c(O)c1	1
C[NH+]1CCCN(CC(=O)N2CC[N@@H+](CC3CC3)[C@H](CCO)C2)CC1	2
Cc1onc(-c2ccccc2)c1C(=O)NCC[NH+](C)C	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
CC1(C)CC(C[C@@]2(C)CC(C)(C)NC(=S)N2)=NC(=S)N1	0
C[C@@H](Cc1ccccc1)[n+]1[n-]oc(=[NH2+])c1C[NH+]1CCCCC1	2
CCOc1ccc(Cn2ccnc2)cc1[N+](=O)[O-]	0
CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nccs2)c1	0
C[NH+](C)CCNC(=S)Nc1ccccc1F	1
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/C=C/c1ccccc1Cl	-1
CCN1C(=O)C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)cc2)C1=O	1
c1ccc(CN(CC2=[NH+]CCN2)c2ccccc2)cc1	1
OC1(c2ccc(Cl)cc2)CC[NH+](Cn2nnc3ccccc32)CC1	1
C[NH+]1CCN(CCC(=O)Nc2ccc3[nH]c4ccc(NC(=O)CCN5CC[NH+](C)CC5)cc4c(=O)c3c2)CC1	2
Cc1noc(COc2ccccc2OC[C@@H](O)C[NH2+]C(C)(C)C)n1	1
CC(=O)NCCNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1	0
C[C@@H](COc1ccccc1)[NH2+][C@@H](CO)[C@H](O)c1ccccc1	1
CO[C@@H](C)[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1O[C@@H](SC)[C@@H](O)[C@@H](O)[C@H]1O	1
C[C@@H](O)c1cccc2c1S(=O)(=O)c1ccccc1O2	0
C[NH+]1CCN(C(=O)c2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)CC1	1
CS(=O)(=O)c1ccc(C2=C(c3cccnc3)C(=O)CC2)cc1	0
CC1CC[NH+](C[C@@H](O)CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)CC1	1
N#Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)OCCO2	0
C[N@H+]1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2	1
COCCn1cc(S(=O)(=O)NC2CN(S(=O)(=O)N(C)C)C2)cn1	0
CSC1=[NH+]CCN1Cc1ccccc1	1
Cc1ccc2c3c([nH]c2c1)CC[N@H+](C)C3	1
CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCCC3)nc21	-1
Cc1cccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1	2
O=C(NCc1ccncc1)C(O)(c1ccccc1)c1ccccc1	0
CC[N@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)/C=C/c1ccco1	2
CC(C)c1c(C[N@@H+](C)[C@@H](C)Cc2ccccc2)n(C)n(-c2ccccc2)c1=O	1
COc1ccccc1N1CCN(/N=C/c2sccc2C)CC1	0
C[C@H]1CCC[C@@H](C)[N@H+]1C[C@@H](O)COc1ccc(N)cc1	1
Cc1cc[n+](Cc2cnc(C)nc2N)cc1	1
CC(C)[N+](C)(C)C[C@@H](O)COc1cccc2ccccc12	1
O=c1c2ccccc2ncn1C[C@H](O)C[NH2+]C1CCCCC1	1
COCc1cc(C)nc2sc3c(=O)oc(C)nc3c12	0
CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NC1CN(S(=O)(=O)N(C)C)C1	0
NC(=O)COc1ccc(Cl)cc1S(=O)(=O)NCC(=O)N1CC[NH2+]CC1	1
Cc1ccc(NCc2cc(Br)ccc2O)[nH+]c1	1
CC1CC[NH+](CC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1	2
O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+]2CCC[C@@H]12	1
Cn1c(N2CC[NH+](CCc3ccccc3)CC2)cc(=O)n(C)c1=O	1
CCN(C(C)=O)c1ccc(Oc2nc(OC)cc(OC)n2)cc1	0
CN1NC2=NN(c3ccc(Br)cc3)NC2=C1N	0
Nc1[nH+]c(-c2ccc(Cl)cc2Cl)cn1N	1
CCN(CC)c1ccc(C=C(C#N)C#N)cc1	0
C[C@@H](C(=O)NC(N)=O)N1CCN(S(=O)(=O)N2CCCC2)CC1	0
O=C(Cc1sc(N2CCOCC2)nc1[O-])Nc1cccc([N+](=O)[O-])c1	-1
CC(=O)Nc1ccc2n(CCO)c3ccccc3[n+]2c1	1
Fc1ccccc1CC[NH2+]C[C@@H]1CCC[NH2+]C1	2
NNc1nc(N)nc(C2CC2)[nH+]1	1
Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(O)c2ccccc12	-1
CCOc1ccc(N2C(=O)C[C@H]([NH2+]Cc3cccnc3)C2=O)cc1	1
CC(C)c1ccc(O)c(C[NH+]2CCN(c3ccccc3)CC2)c1	1
COc1cc2[nH]c(C)[nH+]c2cc1OC	1
O=C1NCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl	0
COc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1	0
Cc1ccc(C[N+](=O)c2ccc(N(C)C)cc2)c2nsnc12	1
Nc1ccc2cc(S(=O)(=O)CCOS(=O)(=O)[O-])ccc2c1	-1
CCOC(=O)N1CCC([NH2+]C2c3ccccc3-c3ccccc32)CC1	1
O=C(CSC1=[NH+][C@@H]2CCCC[C@@H]2N1)N1CCOCC1	1
COC(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccc(C[NH+]3CCCCC3)o2)[C@H]1c1ccccc1F	1
CC[C@@H](c1nnnn1C1CCCC1)[NH+]1CCC(C(N)=O)CC1	1
CCOC(=O)c1sc2ncnc(N3CC[NH+](C)CC3)c2c1C	1
CC(=O)Nc1ccc(OCC[n+]2cccc(C(N)=O)c2)cc1	1
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CCOc1ccccc1	0
CCc1[nH+]c(N)nc(N)c1-c1ccc(Cl)cc1	1
O=C(COc1ccccc1O)Nc1cc(Cl)ccc1O	0
Cc1ccccc1OCC(=O)Nn1nnnc1Nc1ccccc1	0
Cc1ccc(C(=O)C2CC[NH2+]CC2)cc1	1
CCOC(=O)N1CCC(O)(C[N@H+]2CCN(S(C)(=O)=O)C[C@@H](C(=O)NC)C2)CC1	1
COCCNC(=O)CN1CCN(C(=O)C(=O)N2CCNC(=O)[C@@H]2C)CC1	0
C[NH+]1CCC(NCc2ccco2)CC1	1
CC[NH+](CC)CCn1c2ccccc2n2cc[nH+]c12	2
Cc1cc(C)cc(C(=O)NCC[NH+](C)C)c1	1
N#CC1=C(N)Oc2n[nH]c(-c3ccccn3)c2[C@@H]1c1ccco1	0
CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1	1
C[N@H+]1CCC[C@@H](OC(=O)c2ccccc2F)C1	1
Cc1cc(N2CCCC2)ccc1/C=[NH+]/NC(N)=S	1
FC(F)(F)c1cccc(N2CC[NH+](CCc3nnc4n3C[C@@H]3CCC[C@H]43)CC2)c1	1
O=C1C[C@@H]([NH2+]Cc2ccccc2)C(=O)N1c1ccccc1	1
O=CN1CCC[C@@H]2[C@@H]3CC[C@@H]([C@H]4c5[nH]c6ccccc6c5CC[N@@H+]34)[C@@H]21	1
[NH3+][C@@H](c1ccccc1)[C@@H](O)c1ccccc1	1
O=C1NCN(c2ccccc2)C12CC[NH2+]CC2	1
O=S(=O)(Cc1ccccc1)Nn1cnnc1	0
Cc1nc(C2CCCCC2)c(-c2ccc(S(N)(=O)=O)c(F)c2)o1	0
C[NH+](C[C@@H](O)CN1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)C[C@H](O)C1)C1CC1	2
NS(=O)(=O)c1ccc(-c2ccc(C=O)o2)cc1	0
COC(=O)c1ccccc1S(=O)(=O)C1CC[NH2+]CC1	1
Cc1ccc(S(=O)(=O)C2CC[NH2+]CC2)cc1	1
Cc1ccc(NC2=[NH+]C(=N)NC3(CCCCC3)N2)c(C)c1	1
CCN(CC)c1nc2c(=O)[nH]c(=O)n(C)c2[nH]1	0
Cc1ccc(NN=C2C(=O)[N-]C(=O)NC2=O)cc1Br	-1
Cc1c(N(C)S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C	0
O=C(NCc1cccnc1)C1CC[NH+](CC2CCCCC2)CC1	1
C=CC[n+]1ccc(-c2cc[n+](CC=C)cc2)cc1	2
NC(=O)CCNC(=O)C1=C[C@@H](NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)[C@@H](O)[C@H](O)C1	1
Cc1ccc(NC(=S)N(CC[NH+](C)C)Cc2cccs2)cc1C	1
C[C@H]1Cc2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])c(O)c2C(=O)O1	-1
C[N+](C)(C)/C=C/c1ccc([N+](=O)[O-])o1	1
CC(C)[N@H+]1CCC[C@@H](C(=O)N2CCCCCC2)C1	1
Fc1ccc(Sc2ccccc2CNC2=[NH+]CCN2)cc1	1
CNc1cccc(CCOc2ccc3c(c2)CN(CC(F)(F)F)C(=O)[C@@H](CC(=O)[O-])C3)n1	-1
CC(C)C[C@@H](NC(=O)C1=C[C@@H](NC(=O)CC[NH3+])[C@@H](O)[C@H](O)C1)C(N)=O	1
COc1ccc(Br)cc1CSc1ccccc1C1=[NH+]CCCN1	1
[NH2+]=C1N[C@@]2(CCc3cccc(Cl)c3C2)CO1	1
C[NH+](C)CCNC(=O)c1cccc(Cl)c1	1
CSC1=[NH+]C(C)(C)CCC(C)(C)N1	1
CC(C)(C)[N+](=O)Cc1cc(Cl)ccc1O	1
NC(=O)OC[C@@H]1NC(=[NH2+])N2C[C@@H](OS(=O)(=O)[O-])C(O)(O)[C@@]23NC(=[NH2+])N[C@@H]13	1
CN(C)c1ccc(C(=S)N2CC[NH2+]CC2)cc1	1
O=C(NCCO)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@@H+](CCc2ccccc2)C1	2
C[NH+](C)[C@@H]1C[C@H](CNC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)C1	1
CC[N@H+]1CCC[C@@H](NC(=O)c2scc3c2CCCC3)C1	1
NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1	2
Cc1ccc(C)c(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2ccco2)c1	1
COc1ccc(C[N@@H+](C)C2CCN(C)CC2)c(OC)c1	1
CC[N@@H+](CCO)Cc1cc2cc(Br)ccc2s1	1
C[NH+](C)CCNC(=S)Nc1ccc(F)cc1	1
Brc1cncc(N2CC[NH+]3CCC2CC3)c1	1
Nc1[nH+]c2ccccc2n1CCN1CCOCC1	1
COc1ccc(C[NH+]2CCN(c3ccccc3)CC2)c(OC)c1	1
CN(C)C(=O)COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H](O)c1ccc(O)c(CCO)c1)CC2	1
NC(=[NH2+])N=NC1CCC(N=NC(N)=[NH2+])CC1	2
C[N+]1(CCOC(=O)Nc2ccccc2)CCCCC1	1
O=[N+]([O-])N=C1NCN(C2CC[NH+](Cc3ccccc3)CC2)CN1	1
c1ccc2c(c1)[nH]c1nc(SCC[NH+]3CCCCC3)nnc12	1
CCOC(=O)c1[nH]c(C)c(C[NH2+]Cc2ccco2)c1C	1
NN(CCO)C(=S)NCc1ccc(Cl)cc1	0
O[C@@H](CN(c1ccccc1)c1ccccc1)C[NH+]1CCCCC1	1
COc1ccccc1OCC(=O)N1CCNC1=O	0
C[N@H+]1CCC[C@@H](OC(=O)COc2ccc(F)cc2)C1	1
CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F	1
O=S1(=O)C=C(SCC[NH+]2CCCC2)c2ccccc21	1
COc1ccc(S(N)(=O)=O)cc1C(=O)NC1CC[NH+](C)CC1	1
Cc1sc2ncnc(N3CC[NH+](C)CC3)c2c1-c1ccccc1	1
C[NH+](C)CCn1c2ccccc2n2cc(C(C)(C)C)nc12	1
CCN1C(=O)/C(=C/c2cccc(OC)c2OC)C(=O)[N-]C1=S	-1
[NH3+][C@@H]1c2c(ccc3ccccc23)OC[C@@H]1CO	1
Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NC[C@@H]2COCC[NH2+]2)s1	1
CCC[NH+]1CCC([N@H+]2CCC[C@@H]2CO)CC1	2
COC1(NS(=O)(=O)c2ccc(Cl)cc2)C(C)=CC(=O)C=C1C	0
O=C(NC[C@@H]1CCCO1)C1CC[NH+](C[C@@H]2CC=CCC2)CC1	1
S=C(NC1CC1)N1CCC[N@@H+](Cc2cccc3ccccc23)CC1	1
O=[N+]([O-])c1ccccc1CN1CC[NH2+]CC1	1
COC(=O)c1ccccc1NC(=O)c1cc[n+](C)cc1	1
CN(N)c1nc(N2CCCC2)nc(N2CCCC2)[nH+]1	1
CCOc1cc(Cc2c[nH+]c(N)nc2N)cc(OCC)c1-n1cccc1	1
CCc1cn(Cc2ccccc2)c[n+]1Cc1ccccc1	1
CC(=O)N1CCC([NH2+]CCc2ccc(F)cc2)CC1	1
COc1ccc(C(=O)Cc2c([O-])c3ccccc3oc2=O)cc1	-1
CS(=O)(=O)c1ccc(C[NH3+])cc1	1
Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2	1
Cc1nc[nH]c1CN1CCN(C(=O)CNC(N)=O)[C@H]2CS(=O)(=O)C[C@H]21	0
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CC1CC[NH2+]CC1	1
Cc1cc(C)c(-n2cccc2C[NH3+])c(C)c1	1
CN(CC(=O)N1CCNCC1)C(=O)Cn1cc(Br)c(=O)[nH]c1=O	0
CC[NH+]1CCN(C(=O)CC2CC[NH+](CCCS(N)(=O)=O)CC2)CC1	2
CC[NH+](CC)CCn1c2ccccc2c2nnc(=NN)[nH]c21	1
Cc1ccc(C[NH+]2CCC(C(=O)N(C)Cc3ccccc3)CC2)o1	1
NC(=[NH2+])c1ccc(OCCCOc2ccc(C(N)=[NH2+])cc2Br)c(Br)c1	2
C[NH+](C)[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1	1
CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1	0
[NH3+]Cc1ccc(F)c(Br)c1	1
c1ccc([C@@H]2CN3CCSC3=[NH+]2)cc1	1
CNC(=O)C[C@@]1(O)CCCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1	0
C=CCN1C(=O)NC(=O)/C(=C\c2ccc(OCC(=O)[O-])cc2)C1=O	-1
c1cc2c(cc1C[NH2+]C[C@@H]1CCCO1)OCO2	1
C[C@H]([NH3+])CN1CCc2ccc(Br)cc21	1
O=c1[nH]c2ccccc2n1C1CC[NH+](CCOc2ccccc2)CC1	1
c1ccc(C[NH+]2CCC3(CC2)OCCO3)cc1	1
C1=CC[C@@H](C[NH+]2CCN(c3ncccn3)CC2)CC1	1
CN1CCCc2c1[nH+]c1c(c2N)CCCC1	1
Cc1ccc(O)c([C@@H](CC(=O)N2CC[NH2+]CC2)c2ccccc2)c1	1
CCCCC(=O)NC(=S)N[N-]S(=O)(=O)c1ccccc1	-1
CC[NH+](CC)CCn1c(C)nn2c3ccccc3nc12	1
NS(=O)(=O)N1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1	0
CCOC(=O)c1cc(-c2ccccc2)cc(-c2ccccc2)[o+]1	1
CC[NH+]1CCN(C(=O)C2CC[NH+](C3CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)CC3)CC2)CC1	2
Cc1c(O)c(C[NH+]2CCCCC2)cc2c(-c3ccccc3)cc(=O)oc12	1
Cn1c(=O)c2nc(SCC(=O)NCCC[NH+]3CCOCC3)[nH]c2n(C)c1=O	1
CCOC(=O)c1ccccc1NC=C1C(=O)[N-]C(=S)N(C)C1=O	-1
COC(=O)[N-]c1nn(-c2ccc(OC)cc2)c(=O)c(C#N)c1C	-1
CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Cc1ccc(F)cc1F	0
Cc1cccc(N2C(=O)C[C@H]([NH2+]Cc3ccc(S(N)(=O)=O)cc3)C2=O)c1	1
Cc1cccc(NCc2c[n+](C)c(C)cc2N)[nH+]1	2
CCCCn1c(N)c(N(C)CC(=O)N2CCNC(=O)C2)c(=O)[nH]c1=O	0
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)CN1Cc1ccsc1	0
Cc1ccc(C)n1CC1CC[NH2+]CC1	1
C[NH+]1CCC2(CC1)OC(=O)N(C(C)(C)C)C2=O	1
CCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1	0
C=CCc1ccccc1OC[C@@H](O)C[NH2+]C(C)C	1
CC(C)[NH2+][C@@H](C)Cc1ccc(I)cc1	1
C[NH+]1CCC(N2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)Nc2ccccc2)[N@H+]3C)CC1	2
Cc1cc(=O)oc2cc(O[C@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)ccc12	0
COCCNC(=S)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)N3CCOCC3)[N@@H+]2C1	1
O=c1ccc(-c2ccc(F)cc2)nn1CN1CCCCC1	0
COCCNC(=O)CN1CCN(C(=O)NC2CC[NH+](CCO)CC2)CC1	1
Cc1nc2ccccc2c(=O)n1-c1ncccc1[C@@H]1CCC[N@@H+]1C	1
NC(=O)C1([NH+]2CCCCC2)CCN([C@@H]2OC(=O)c3ccccc32)CC1	1
[NH3+]CC1CCC(C(=O)Nc2ccccn2)CC1	1
O=C([O-])CNS(=O)(=O)c1ccccc1I	-1
CC(C)(C)Nc1nc(NC(C)(C)C)[nH+]c(N2CCCCC2)n1	1
CCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C	-1
CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1c2ccccc2C[C@H]1[NH+]1CCCC1	1
Cc1ccc(N(CC(N)=O)S(=O)(=O)c2ccccc2)c(C)c1	0
CCOC(C[NH+]1CCCCC1)OCC	1
c1ccc(C[C@@H]2[NH2+]CCn3cccc32)cc1	1
CC[NH+](CC)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	1
C[N@H+]1CC[C@@](O)(c2cccc(Cl)n2)C1	1
O=[N+]([O-])c1ccccc1C[NH+]1CCC(O)CC1	1
O=C(N[C@@H]1C[NH+]2CCC1CC2)c1cccc(Cl)c1	1
OC1(Cc2cccc(Cl)n2)CC[NH+](Cc2ccccc2)CC1	1
CCCC(=O)N1CCN(c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)CC1	1
CN(C)CC[NH+]1CCC(NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1	2
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=S)Nc3ccc(F)cc3F)cc2)no1	-1
CO[C@@]12C[C@H](COC(=O)c3cncc(Br)c3)C[N@@H+](C)[C@H]1Cc1cn(C)c3cccc2c13	1
C=CCn1c(=[NH2+])n(CC[NH+]2CCCCC2)c2ccccc21	2
O=c1c(Cl)c(N2CC[NH2+]CC2)cnn1-c1ccccc1	1
Nc1cc(N)[nH+]c(SCC(=O)NC2CCCC2)n1	1
COc1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1	1
[NH3+]C1CCC(C(=O)NC2CC[NH+](C3CC3)CC2)CC1	2
CC(C)[C@@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)[NH+]1CCN(C)CC1	2
CCN(CC)C(=O)C1CC[NH+](Cc2ccccc2)CC1	1
Cc1ccc(OCC(=O)n2cnnc2N)c(Br)c1	0
c1coc(C[NH2+]C[C@@H]2CCCO2)c1	1
O=C1CN=C(NC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)N1	0
CS(=O)(=O)N1CCC([NH2+]C[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)CC1	1
C=Cc1cccc2cc(CC3=N[S@](=O)O[N-]3)ccc12	-1
Fc1ccc(N2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)cc1	1
FC(F)(F)c1nc(-c2nonc2Nc2ccccc2)no1	0
N#Cc1c(NC(=O)C[NH2+]C2CCCCC2)sc2c1CCCC2	1
C=C1C[C@H](C)O[C@@H](c2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)C1	1
CC1(C)CC(NSc2nc3ccccc3s2)CC(C)(C)[NH2+]1	1
CNS(=O)(=O)NCC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1	1
S=C1N(CN2CCCCC2)CCN1C[NH+]1CCCCC1	1
Cn1c(-c2ccc[n+](C)c2)nc2ccccc21	1
C[C@@H]1CN(C(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)C[C@@H](C(N)=O)O1	0
Cc1csc2n(C)c3ccccc3[n+]12	1
COc1cc(N)cn[n+]1-c1ccccc1	1
O[C@@H](CSc1cccs1)C[NH+]1CCCC1	1
NC(=[NH2+])c1ccc(C(F)(F)F)cc1	1
O=C1[N-]C(=S)NC1=Cc1ccc(O)c(Br)c1	-1
Cc1ccc(S(=O)(=O)NCC(=O)Nc2nnc(C)s2)cc1	0
Cc1onc(-c2ccccc2)c1C(=O)N1CC[NH2+]CC1	1
CC(C)(CNC(=O)c1cc(S(N)(=O)=O)ccc1[O-])[C@@]1(O)CCOC1	-1
Cc1onc(-c2ccccc2)c1C[NH3+]	1
COc1cc(C=O)cc(OC)c1OCc1ccc(F)cc1	0
[NH3+]C1(CO)COC(c2ccncc2)OC1	1
Cc1c(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cccc1[N+](=O)[O-]	1
C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2cccc(OC)c2)C1C(=O)OCC	1
Clc1ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cl	1
Cc1cc[n+](-c2c(C=O)sc(=O)n2C)cc1	1
C[N@H+]1[C@H]2CC[C@@H]1C=C(c1ccc(Cl)cc1)C2	1
CS(=O)(=O)N1CCC[C@@H](NC(=O)CN2CCS(=O)(=O)CC2)C1	0
CC(C)[NH+]1CCN(C(=O)c2ccco2)CC1	1
CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(N)ccc1OC	1
CCN1C(=O)C[C@H]([NH+]2CCC(Cc3ccccc3)CC2)C1=O	1
CCC[NH+]1CCC(Nc2cc(OC)cc(OC)c2)CC1	1
Cc1nn(C[C@@H](C)[NH3+])c2cc(O)ccc12	1
CSc1nc(C)cc(SC(N)=[NH2+])n1	1
O=C(CSc1nnc(-c2cccnc2)n1CC[NH+]1CCCCC1)Nc1cccc(Cl)c1	1
Nc1nnc(SCC(=O)NCCc2ccccc2)s1	0
Nc1c2c([nH+]c3ccccc13)-c1ccccc1C2	1
CC(=O)Nc1ccccc1OC[C@@H](O)C[NH+]1CCC(C(N)=O)CC1	1
CC[NH+](CC)CCOc1ccc(Br)cc1	1
O=C(Nc1cc(Cl)cc(Cl)c1)C(=S)N1CCOCC1	0
N#Cc1nc(-c2ccccc2)oc1N1CCOCC1	0
COc1cccc(O[C@H](C)CNC(=[NH2+])Cc2cccc(C)c2)c1	1
CC(C)(C)C(=O)Nc1cc(NC(=O)C(C)(C)C)cc(C(=O)[O-])c1	-1
Cc1cccc(OC[C@H](O)C[NH2+]C(C)(C)C)c1C	1
COc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccc(OC)c2)N2NC=NC2=[NH+]3)cc1	1
CN1CCN(C(=O)CCNC(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1	0
C[NH+](C)CCCNC(=O)CO[C@@H]1[C@@H](OCSc2ccnc3cc(C(F)(F)F)ccc23)[C@@H](N)C[C@@H]([NH3+])[C@H]1O	2
O=C(NCc1cccc(CNC(=O)c2ccccn2)c1)c1ccccn1	0
CC(C)Nc1nc([N-]S(=O)(=O)c2ccc(N)cc2)nc(NC(C)C)n1	-1
O=C(Cn1nnc2ccccc2c1=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	-1
C[NH+](C)[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CCC(=O)NCC[NH+]1CCCCC1	2
COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCc2ccccc2)cc(Br)c1O	0
CN(c1ncnc2sc3c(c12)CCCC3)C1CC[NH+](C)CC1	1
CCS(=O)(=O)c1ccc(F)cc1	0
C[NH+](C)CCN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O	1
CCOC(=O)CCn1cc[nH+]c1C	1
C[N+]1(CC#Cc2ccc(C#CC[N+]3(C)CCOCC3)cc2)CCOCC1	2
C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+]	1
CCSc1ccc(C[N+](C)(C)C)s1	1
COc1ccccc1C(=O)N1CC[NH+](C[C@@H]2CC=CCC2)CC1	1
c1ccc(C(Cc2c[nH]cn2)c2ccccc2)cc1	0
CN1CCN(c2cc3c(cc2N)c(=O)c(C(=O)[O-])cn3C2CC2)CC1	-1
CN(C(=O)Cc1cccc2occc12)[C@@H]1CC[C@]2(CCCO2)C[C@H]1[NH+]1CCCC1	1
O=C(COc1ccc(Br)cc1)Nc1ccc(C[NH+]2CCCCC2)cc1	1
NC(=O)C1CC[NH+](C/C=C/c2ccccc2)CC1	1
O=C(COCC(=O)N1CCN(CCO)CC1)N1CCN(CCO)CC1	0
C[NH+](C)CCCN1c2ccccc2C=Cc2ccccc21	1
Fc1ccc(-c2cn3c([n+]2-c2ccccc2)SCC3)cc1	1
C[NH+](C)CCNC(=O)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1cccs1	1
CC(=O)N1C[C@@H](C)c2scc(C)[n+]2-c2ccccc21	1
CN1C(=O)C[C@H](N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1=O	1
CCC(=O)N(c1ccccc1)[C@H](C)C[NH+]1CCCCC1	1
O=[N+]([O-])c1ncn(Cc2c(Cl)cccc2Cl)n1	0
CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Cl)c(N)cc1OC	1
C[NH+](C)CC[C@@H](c1ccccc1)c1ccccn1	1
CC[C@@](CO)(C(=O)O[C@@H]1C[N+]2(C)CCC1CC2)c1ccccc1	1
Cn1c(=O)c2c(ncn2[C@@H]2CN(C(=O)CCC[NH3+])C[C@@H](O)C[C@@]2(C)O)n(C)c1=O	1
CC(C)[NH2+][C@@H](C)C(=O)c1ccc(O)c(O)c1	1
COCc1cc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2C[N@H+](C2CCCC2)C3)n[nH]1	2
NNc1[nH+]cnc2ccc(Cl)cc12	1
C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1	1
Cc1ccccc1NC1=[NH+]C(C)(C)NC(=[NH2+])N1	2
CN1C[C@@H](NC(=O)CS(=O)(=O)CC(=O)N[C@@H]2CC(=O)N(C)C2)CC1=O	0
NC(=O)N(O)C/C=C/c1ccoc1	0
Cc1ccc(N2C(=[NH2+])NC(=N)NC2(C)C)c(C)c1	1
NC(=[NH2+])Nc1ccc(C(=O)Nc2cnccn2)cc1	1
C[NH2+]Cc1cn(C[C@H]2O[C@@H](CC(=O)N3CCC[C@@H]3COC)[C@H](O)[C@@H]2O)nn1	1
O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1	1
N#Cc1ccccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1	-1
O=C(CSC1=[NH+]CCN1)Nc1cccc(C(F)(F)F)c1	1
C[n+]1cccc(/C=C2\N=C(c3ccccc3)OC2=O)c1	1
CCC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1	-1
C[NH+](C)C[C@@H](O)COc1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1	2
C[NH+]1CCN(c2ccc(NC(=O)CN3CC[NH2+]CC3)cc2F)CC1	2
CC[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1	1
Nc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)C[N@@H+](Cc2ccccc2)C3)cc1	1
NC(=[NH2+])NCCn1ccc2ccccc21	1
O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCC(=O)NCCO	1
CS(=O)(=O)N1CCCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1	0
COc1ccc(Br)cc1C[N@H+]1CCC[C@@H](CO)C1	1
Cc1nnc2[nH]c(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)nn12	0
C[NH2+][C@H](c1cccc(O)c1)C(C)(C)C(=O)NCc1cccc2ccccc12	1
Nc1nccc[n+]1Cc1ccccc1	1
[NH2+]=c1ccn(Cc2ccccc2)cc1	1
COc1ccc(Cl)cc1C(=O)N1CCN(c2ccccc2)CC1	0
O=C(Cn1cc(Br)c(=O)[nH]c1=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1	1
Cc1cc(C)[n+]2nc(N)c3ccccc3c2n1	1
COc1ccc([C@@H]2[NH2+]CCc3c2[nH]c2ccc(OC)cc32)cc1	1
C[NH+]1CCC2(CC1)N=C1CC[N@H+](C)C[C@@H]1S2	2
CCOC(=O)C(C#N)=NNc1ccc2[nH]c(C)[nH+]c2c1	1
CC[NH+](CC)CC(=O)N1c2ccccc2Sc2ccc(Cl)cc21	1
CN(C[C@@H](O)c1ccccc1)C1CC[NH+](C)CC1	1
CC(C)C(=O)NCCNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1	0
COc1ccc(-c2[nH+]c3ccccn3c2NCCc2ccccc2)cc1	1
NC(=[NH2+])c1ccccc1OC(F)(F)F	1
O[C@@]1(C[n+]2ccccc2)NCCc2ccccc21	1
C[C@@H](C[N@@H+](C)Cc1ccccc1)OC(=O)c1ccc(Br)cc1	1
CC[NH+]1CCN(C2CC[NH+](CCOC[C@@H]3CCCCO3)CC2)CC1	2
O=C(c1ccccc1)[C@@H]1C[NH+]2CCC1CC2	1
CC1CC[NH+](CC2(NC(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)CCCCC2)CC1	2
C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1	1
O=C1N[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1	0
O=C(NCC[NH+]1CCCC1)NC1CCCCC1	1
COc1ccc2sc3c(c2c1)NCCNC3=O	0
COC(=O)c1ccc(N2CC[NH+](C)CC2)nc1	1
C[C@@H]([NH3+])C1CCC(C(=O)Nc2ccncc2)CC1	1
CCn1c(N2CC[NH2+]CC2)nc2c1c(=O)[nH]c(=O)n2C	1
C=CC[N+](C)(C)c1ccccc1O	1
CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)noc2C)cc1	-1
CC(C)(C)CC(=O)[n+]1ccccc1	1
COc1ccc2[nH]cc(C(=O)C[N@H+]3CCCC[C@@H]3CCO)c2c1	1
CCC[NH+](CCC)C1Cc2cc(OC)c(OC)cc2C1	1
C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2COCCN2C)CC1	0
CC(C)[N@H+]1CCc2c(sc(N)c2C(N)=O)C1	1
COc1ccc2sc(C)[n+](C)c2c1	1
COc1cc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc(OC)c1	-1
O=C(Nc1cccc(Cl)c1)C12CC[NH+](CC1)Cc1ccccc12	1
COC(=O)c1cc(-c2ccccc2OC)[nH]n1	0
Cc1cc(N(CCO)CCO)nc(NCc2ccccc2)[nH+]1	1
CC(=O)Nc1ccc(S(=O)(=O)Nc2c(N)[nH]c(=S)[n-]c2=O)cc1	-1
c1cc2c(cc1C[NH2+]CC1CC[NH2+]CC1)OCO2	2
C[C@@H](C[N+]1(C)CCCCC1)OC(=O)CCCCC(=O)O[C@@H](C)C[N+]1(C)CCCCC1	2
COc1cc(Br)c(CC[NH3+])cc1OC	1
COc1cccc(C[NH+]2CCC(C(=O)N(C)Cc3ccccc3)CC2)c1O	1
CCc1ccc2scc(CCNC(C)=O)c2c1	0
CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2F)C1	1
CO[C@H]1C[C@@H](CN(C)CC(O)CN(C)C[C@@H]2C[C@H](OC)C[N@H+]2C)[NH+](C)C1	2
Nc1noc(C23CC[NH+](CC2)C3)n1	1
CN(c1ccc(C(=O)N2CC[NH+](C)CC2)cc1)S(C)(=O)=O	1
Brc1cccc(C[NH2+]C2CCN(CCc3ccccc3)CC2)c1	1
Cc1ccc(S(=O)(=O)CC(=O)NC2CC2)cc1	0
O=C([O-])CNC(=O)CNC(=O)c1ccc(Br)cc1	-1
O[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C1	1
C[C@@H](C[NH+](C)C)NS(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C[NH+](C)C	2
O=C(NC1CC1)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1	0
CC(=O)/C=C1\C[NH+]2CCC1CC2	1
N=C1NC(=[NH2+])N[C@H](c2ccccc2)N1c1ccccc1	1
[NH3+][C@@H](Cc1ccccc1)c1ccc2c(c1)OCCO2	1
COc1ccc(-c2nnc(NC(=O)[C@H]3CCC[NH2+]3)s2)cc1	1
COc1ccc(/C=[NH+]/Cc2ccc(OC)cc2)cc1	1
C[NH+]1CCN(NC(=O)CSc2nccc3ccccc23)CC1	1
COc1ccc2c(c1)-c1c(ccn1C[C@H](C)[NH3+])C2	1
COc1ccc(CCNC(=O)C[NH+]2CCC(C)CC2)cc1OC	1
Cc1cccc(NC2=[NH+]CCN2)c1C	1
COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-]	-1
CC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)[O-]	-1
CC1=C(Nc2ccc(C3=NNC(=O)C[C@@H]3C)cc2)CCC1=O	0
Cn1c(=O)n(CCC[NH+](C)C)c(=O)c2c1ncn2C[C@@H](O)CO	1
CNS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)NC)ccc1-2	0
CN(C)c1cccc(/C=C/C(=O)C(C(=O)[O-])=C2SCCS2)c1	-1
Cc1ccc(C#N)c(SC(C)(C)C(=O)[O-])n1	-1
C[N@H+]1CC[C@]23c4c5ccc(O)c4O[C@@H]2C(=O)CC[C@]3(O)[C@H]1C5	1
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c(C)c1	-1
NC(=[NH2+])SCc1cccc(Cl)c1	1
CN(C)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1C(=O)[O-]	-1
Nc1ccc(-c2nc3ccccc3s2)cc1	0
c1ccc2c(C[NH+]3CCCCC3)c[nH]c2c1	1
C[NH+]1C(C)(C)CC(NC(=O)c2ccccn2)CC1(C)C	1
C[N+](C)(C)CCN[N+]1(C)CCCc2ccccc21	2
O=C1c2ccccc2OCN1CCO	0
Cn1ncc(Cl)c1C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1	1
COC(=O)[C@@H]1C[C@@H](O)CN(c2nc(NCCO)[nH+]c(NC(C)C)n2)C1	1
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(CC(N)=O)C(=O)C1	2
O=c1c2cccc3c2c(cn1[C@@H]1C[NH+]2CCC1CC2)CCC3	1
[NH3+]CC(=O)N1CC[NH+](CCCc2ccccc2)CC1	2
CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)c2ccc(C#N)cc2F)CC1	1
CCOC(=O)[C@@H](C#N)[C@@]1(Cc2ccccc2)C[C@H](C)[N@@H+](C)C[C@@H]1C	1
CCn1cc(Br)c(C(=O)NC(=S)Nc2cnn(C)c2C)n1	0
CC[NH+](CC)c1ccc(Nc2[nH]c(=O)nnc2C)cc1	1
CN(C)c1cccc2c(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])cccc12	-1
CN(C)S(=O)(=O)c1ccc(C(=O)OCC[NH+](C)C)o1	1
Cc1ccc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)n1C	0
[NH3+]CCc1c[nH]c2c(OCc3ccccc3)cccc12	1
COc1ccccc1NC(=O)c1c(N)sc2c1CC[N@@H+](C)C2	1
Nc1ccc[n+](-c2ccc(F)cc2)c1	1
[NH3+]C1CCC(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1	2
NC(=O)[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O	0
C[C@@H](C[NH+]1CCCCC1)OC(=O)COc1ccc(Cl)cc1	1
CCCC(=O)NC(=S)Nc1ccc(N2CCN(C(C)=O)CC2)cc1	0
O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)N1CCOCC1	0
CCc1ncc2c(=O)[nH]c3cccnc3n12	0
CN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1	1
Cc1nc(C[NH2+]Cc2ccc(C[NH+](C)C)cc2)cs1	2
Nc1c(C(=O)N2CCOCC2)sc2nc3c(cc12)CCCCC3	0
C[NH+](C)CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21	1
CN(C)C(=O)Cc1ccc(N2C(=[NH2+])NC(=[NH2+])NC2(C)C)cc1	2
S=C1N=NC(c2ccccn2)N1N=Cc1cccnc1	0
O=C1c2cccc3[nH]c(=O)cc(c23)C(=O)N1CC[NH2+]CCCC[NH2+]CCN1C(=O)c2cccc3[nH]c(=O)cc(c23)C1=O	2
O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CC[NH+](CCO)CC1)Nc1ccc2c(c1)OCO2	1
[NH3+]C1CC[NH+](Cc2ccc3cc(F)ccc3c2)CC1	2
C[NH+]1CCC(OC(=O)c2cc3ccccc3oc2=O)CC1	1
CN(C(=O)c1ccn[nH]1)C1CC(C)(C)[NH+](C)C(C)(C)C1	1
O=C(CSc1nc2ccccc2[nH]1)NCC[NH+]1CCCCC1	1
C[N+]1(CCOC(=O)c2ccc(O)cc2O)CCCCC1	1
C[N+](C)(C)C[C@@H](O)COc1ccccc1	1
Fc1ccc(C2=CC[N@H+](C3CCN(CCc4ccccc4)CC3)CC2)cc1	1
CCN(CC)S(=O)(=O)c1ccc(C(=O)[O-])cc1	-1
COc1cc(O)c2ccccc2c1OC	0
Nc1ccccc1Nc1[nH]c2ccccc2[nH+]1	1
CCN(CC)C(=O)[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1	1
O=C1Nc2ccccc2/C1=N/N=C/c1ccc([N+](=O)[O-])cc1	0
c1ccc2cc(COC3CC[NH2+]CC3)ccc2c1	1
CCn1c(C)[n+](-c2ccccc2)c2ccc(N)cc21	1
FC(F)(F)c1cccc(CSC2=[NH+]CCCN2)c1	1
Cc1cccc(N(C)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)c1	0
C/C=C1\C[C@@H]2[C@H](OC)Nc3cc(O)c(OC)cc3C(=O)N2C1	0
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1	1
C[C@@H]1C[NH+]=C(NC2CCCCC2)S1	1
NC(=O)C1CCN(c2nccc(C(F)(F)F)n2)CC1	0
CCOC(=O)c1ccc[n+](CCON2C(=O)c3ccccc3C2=O)c1	1
N#Cc1c(-c2ccc(Cl)cc2)nc2n(c1=O)CCS2	0
Nc1ccccc1NC1CC[NH+](Cc2ccccc2)CC1	1
CCOC(=O)c1csc(=NNS(=O)(=O)c2ccccc2)[n-]1	-1
Nc1cc(N)[nH+]c(SC[C@@H]2CCCO2)n1	1
O=C1C[C@H]([NH+]2CCC(C3CC[NH+]([C@H]4CC(=O)NC4=O)CC3)CC2)C(=O)N1	2
NC(=O)C1CC[NH+](C[C@@H]2CC=CCC2)CC1	1
NC(=O)CCS(=O)(=O)CC[NH+]1CCCC1	1
COc1cccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c1	1
CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1	-1
c1ccc(-c2n[nH]cc2C[NH+]2CCN(c3ccccn3)CC2)cc1	1
CCOC(=O)N1CCC([N@@H+](CC)Cc2ccccc2)CC1	1
C[NH+](C)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccccc1	1
O[C@@H](Cn1ccc(C(F)(F)F)n1)C[NH+]1CCCC1	1
CCOC(=O)c1[nH]c2ccccc2c1NC(=O)C[NH+](C)C	1
COc1ccc(N2C(=O)[C@@H](CC(N)=O)N([N-]C(=O)c3cccs3)C2=S)cc1	-1
Cc1[nH]c2ccc(OC(F)(F)Cl)cc2c1CC[NH3+]	1
O=C(NCc1ccc2c(c1)OCO2)c1ccccc1F	0
C#CCN(C)C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccc(N(C)C)cc1	1
CC[NH+]1CCN(c2oc(COc3ccccc3)nc2C#N)CC1	1
Cc1cc(NC(=O)C[NH+](C)C)c2ccccc2n1	1
CC(C)(C)CN1CCC[C@](O)(C[NH+]2CCC([NH+]3CCCC3)CC2)C1=O	2
Nc1c(NCC[NH+]2CCCC2)c2ccccc2oc1=O	1
CC(=O)Oc1c(C)cc(OC[C@@H](O)C[NH2+]C(C)C)c(C)c1C	1
CN(CCCC[NH+]1CCOCC1)c1nc2c(c(=O)[nH]1)CC[NH2+]CC2	2
COc1[nH]c2ccc(F)cc2c1C(=O)OCC1CC[NH+](CCNS(C)(=O)=O)CC1	1
COc1cccc(N2CC[NH+](C[C@@H](C)Nc3ccccn3)CC2)c1	1
Fc1cc2c(cc1F)[C@@H]1C[NH2+]C[C@H]2C1	1
O=C1NCCN1CCNS(=O)(=O)c1cccs1	0
CCCc1cc([C@H]2CCC[N@H+]2C)on1	1
Cc1sc2ccccc2[n+]1C	1
C[N@H+]1CCCN(Cc2ccccc2[N+](=O)[O-])CC1	1
[NH3+][C@@H]1CC(=O)N(C2CC[NH+](Cc3ccccc3)CC2)C1	2
N#Cc1ccccc1Cn1ccc(=[NH+]Cc2ccccc2)cc1	1
C#CC1(O)CC(C)(C)[NH2+]C(C)(C)C1	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
COc1cccc(C[NH+]2CCSCC2)c1	1
Cc1ccccc1C(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12	1
COc1ccc(C[NH+]2CCC(C(=O)NC(C)C)CC2)cc1	1
CCN(C)C(=O)CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1	1
CC1(C)CC(Nc2ccc(Nc3ccccc3)cc2)CC(C)(C)[NH2+]1	1
Fc1ccccc1-c1[nH+]cc2ccccn12	1
CC(=O)c1cccc(NC2=NS(=O)(=O)c3ccccc32)c1	0
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCO[C@@H](CC(N)=O)C1	2
CC(C)Cn1c(NCC[NH+](C)C)nc2ccccc21	1
Cc1cc(Nc2ccc(F)cc2F)nc(N)[nH+]1	1
O=CN1NC(C(F)(F)F)=C[C@@]1(O)c1ccc(Cl)cc1	0
Nc1cccc(C2=N[C@@H]3C=CC=C[C@@H]3[NH+]=C2)c1	1
[NH3+][C@H]1CC(=O)c2csc(Cl)c21	1
CC1[C@H](C(=O)N2CCO[C@@H](C(N)=O)C2)[C@H]1C(=O)N1CCO[C@@H](C(N)=O)C1	0
O=C([O-])c1c(CN2CCOCC2)c(O)c(O)c(O)c1CN1CCOCC1	-1
C[C@@H](NC(=S)Nc1ccc(Br)cn1)c1ccccc1	0
COC(C[NH2+][C@@H]1CCCc2c1[nH]c1ccc(C)cc21)OC	1
NNc1cc(Cl)nc(N2CCOCC2)[nH+]1	1
Cc1c(C[N@@H+]2CCCC[C@@H]2C)c(=O)n(-c2ccccc2)n1C	1
CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCO3)C1	1
C[C@@H]1C(=O)C=C(OC(=O)Cc2ccccc2[N+](=O)[O-])C1=O	0
C[NH+](C)[C@H]1CCc2[nH]c3c(F)cc(F)cc3c2C1	1
O=c1[nH]ncc(N2CC[NH+](Cc3ccccc3)CC2)c1Cl	1
CN(Cc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1	1
COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1	2
Fc1cccc2c1CN([NH+]=C1NCCN1)C2	1
Cc1ccc(C)n1[N@H+](C)c1cccc(F)c1C#N	1
CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	-1
COCCn1ccc(=NC(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)[nH]1	0
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C1CCN(S(N)(=O)=O)CC1	2
CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N=C(NC)S2)cc1	0
O=C1C[C@H]([NH+]2CCSCC2)C(=O)N1CCc1ccccc1	1
COc1ccc(OC)c([C@@H]2NC(=O)NC(C)=C2C(N)=O)c1	0
CCOC(=O)c1cnc2cccc[n+]2c1Cl	1
C[N+]12CCCC[C@H]1[C@H](CN1C(=O)c3ccccc3C1=O)CCC2	1
CC(C)(C)[C@H]([NH3+])C(=O)N1CCC[C@@H]1C#N	1
CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1csc(C(C)C)n1	2
CC(C)CCNC(=O)C1CC[NH+](Cc2cccnc2)CC1	1
O[C@@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1	1
CC(C)(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	0
COc1ccc2[nH]cc(C[NH+](C)C)c2c1	1
CC1CCC([NH+]2CCN(S(=O)(=O)c3ccccc3)CC2)CC1	1
Cc1ccc([C@H]2COc3cc(O)c(O)cc3C2)cc1	0
COC(=O)c1cccc(N2CCCC2=O)c1	0
CCCc1ncc(C[n+]2ccccc2C)c(N)n1	1
NC(=O)C1CC[NH+](C[C@@H](O)Cc2ccc3c(c2)OCO3)CC1	1
C[N+](C)([O-])CCOC(c1ccccc1)c1ccccc1	0
C[C@@H]1C[C@H](OC(=O)CN2CCCC2=O)CC(C)(C)C1	0
CC1(C)CC(N2CN=C(N)N(C#N)C2)CC(C)(C)[NH2+]1	1
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1	-1
Cc1cccc(N2CC[NH2+]C[C@@H]2C)c1	1
O=C(COc1ccc(F)cc1)n1nnc2ccccc21	0
CCOC(=O)c1c(NCC[NH+](C)C)cc(C)[nH+]c1C	2
CC[C@@H]1C[NH2+]CC[C@@H]1c1cccc2ccsc12	1
C[NH+]1CCN(C(=S)Nc2ccccc2F)CC1	1
COc1cccc([C@@]2(O)CCCC[C@@H]2C[NH+](C)C)c1	1
CCC(=O)N1CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1	2
[NH2+]=C1c2ccccc2CN1CC(=O)c1ccc(Cl)cc1	1
Oc1ccc(C[C@@H]2[NH2+]CCc3cc(O)c(O)cc32)cc1	1
COc1ccc(C(=O)c2c(N)sc3c2CC[N@@H+](C)C3)cc1	1
NS(=O)(=O)N1CCC[C@@H](C(=O)NCCCN2C(=O)CNC2=O)C1	0
CC(=O)ON=C1CC(C)(C)[NH2+]C(C)(C)C1	1
Cc1cc(=O)oc2cc(OCC[NH+]3CCN(c4ccc(Cl)c(Cl)c4)CC3)ccc12	1
CC(C)(C)[NH2+]Cc1ccc(F)cc1F	1
c1cncc(OC[C@H]2CC[NH2+]2)c1	1
COc1c2c(cc3c1[C@H](C[C@@H](C)O)[N@@H+](C)CC3)OCO2	1
Cc1cccc[n+]1CC(O)C[n+]1ccccc1C	2
COCc1cc(C)[nH+]c(NN)c1C#N	1
O=C([O-])c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)c1	-1
CC1(C)NC(=[NH2+])NC(=N)N1OCc1ccc(Cl)c(Cl)c1	1
CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CCC[C@@](O)(C(N)=O)C2)C1	0
C[NH+](C)CCCn1c(=O)n(-c2ccccc2)c2cc(Cl)ccc21	1
c1ccc(CC2=NCSC(N3CCOCC3)=N2)cc1	0
CNC1(C(N)=O)CC[NH+](Cc2ccccc2)CC1	1
CN(/N=C/c1cccn1C)C1=[NH+]CCN1	1
C[C@@H]1C(=O)CC[N@@H+](CCc2ccccc2)[C@@H]1C	1
NC(=O)C1([NH+]2CCCCC2)CCN(c2nc(-c3ccccc3)cs2)CC1	1
C[N+]1(C)CCN(c2ccc(Cl)nn2)CC1	1
Cc1cccc(Cl)c1NC(=O)C[NH3+]	1
O=c1[nH]cnc2c(CC3CCCC3)c[nH]c12	0
COC(=O)[C@H]1c2c(oc3cc(CO)cc(=O)c-3c2[O-])C=C[C@@H]1O	-1
COc1ccc(/C=C/C(=O)N2CCCC2=O)cc1OC	0
Cc1cc[n+](CC2OCc3ccccc3CO2)cc1	1
COc1ccc(CNc2cc(C)cc[nH+]2)c(O)c1	1
C[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(N)=O	1
O=C(COc1ccc(Cl)cc1)N[C@@H]1C[NH+]2CCC1CC2	1
Oc1ccccc1C[NH2+]Cc1ccccc1	1
Cc1nc2ccccn2c(=O)c1CC[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1	1
C[NH2+]C[C@@H](O)CN1CCN(c2ccccc2OC)CC1	1
C[C@@H](C[NH+]1CCCC1)OC(=O)c1ccccc1Cl	1
C[N+]1(CCC(=O)Nc2ccc(NC(=O)CC[N+]3(C)CCOCC3)c3c2C(=O)c2ccccc2C3=O)CCOCC1	2
O=C(CN1CCCC1=O)Nc1ccc(Cl)cc1	0
Cc1cc(I)ccc1NC(=O)/C=C/C(=O)[O-]	-1
COC(=O)NCCc1ccc(OC[C@H](O)C[NH2+]C(C)C)cc1	1
O=C(NCC[NH+]1CCCCC1)c1ccc(=O)oc1	1
O=C([O-])C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1	-1
COc1ccc2c3c1O[C@@H]1C(=O)CC[C@@H]4[C@@H](C2)[N@H+](C)CC[C@]314	1
C[C@@H](CN1c2ccccc2S(=O)(=O)c2ccccc21)C[NH+](C)C	1
O=C1C[C@H]([NH+]2CCCCC2)C(=O)N1c1ccc2c(c1)OCO2	1
C[N@@H+](CCc1ccccn1)[C@@H]1CC(=O)N(c2ccccc2)C1=O	1
CC(C)(C)N1CC(O)C[NH+](C(C)(C)C)CC(O)C1	1
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
Cc1csc(Cc2c[nH]cn2)c1C	0
[NH3+][C@@H]1CCCc2c1[nH]c1ccc(Br)cc21	1
c1ccc(COCC2(c3ccccc3)CC[NH2+]CC2)cc1	1
CSc1nnc(-c2cc[n+](C)cc2)n1CCO	1
Cn1c[n+](C[C@@H](O)COC[C@@H]2CC=CCC2)c2ccccc21	1
Nc1ccc(-c2cc(=O)c3c(N)c(F)c(CO)c(F)c3o2)cc1F	0
Cn1c(=O)oc2ccc(C(=O)c3ccccc3)cc21	0
CC[NH+](CC)CCNc1nc(C)cc(C)n1	1
C[NH+]1CCN(c2nc(-c3ccco3)cc(C(F)(F)F)n2)CC1	1
CCOc1ccc([N+]2=C3CCCCCN3[C@](O)(c3ccc(F)cc3)C2)cc1	1
CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)C[C@@H]12	0
CCCc1n(C)c2ccccc2[n+]1C[C@@H](O)COCc1ccccc1	1
CCOc1ccc(C[NH+]2CCC(C(=O)NC[C@@H]3CCCO3)CC2)cc1	1
COc1ccccc1NC(=O)N1CC[NH+](CCc2ccccc2)CC1	1
C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1	2
Cc1ccccc1NC(=O)C[NH+](C)C	1
Nc1nncc(C23CC[NH+](CC2)C3)n1	1
CCc1oc2ccccc2c1CC1=[NH+]CCN1	1
COC(=O)CSc1ccc(C(=O)N2CCCCC2)cc1[N+](=O)[O-]	0
COc1cc(NC(=O)CC[NH+]2CCCCC2)cc(OC)c1	1
C[C@H](O)CN1CCN(CC[NH+](C[C@H](C)O)C[C@H](C)O)CC1	1
CCN(CC)c1ccc(C=[NH+]NC(N)=N[N+](=O)[O-])cc1	1
c1cnc2cc(NC3=[NH+]CCN3)ccc2n1	1
O=C(NCc1ccncc1)c1cccs1	0
N=C(NNS(=O)(=O)c1ccccc1C(F)(F)F)c1ccccn1	0
CCCc1cc(N2CC[NH+](CC)CC2)n2c(nc3ccccc32)c1C#N	1
Fc1cccc(NC2=NCCS2)c1	0
CC[NH+](CC)CCSc1nnc(Nc2ccccc2)n1-c1ccccc1	1
COC(=O)CC1(C[NH+](C)C)CCCCC1	1
CC(C)(C)[NH2+]C[C@H](O)c1cc(Br)no1	1
O=C1[C@@H]2Cc3c([nH]c4ccccc34)CN2C(=O)CN1C[C@@H]1CCCO1	0
Cc1ccc(N2CC[NH+](Cc3ccoc3)CC2)cc1	1
Cc1noc(COc2ccccc2OCC[N+]2(C)CCOCC2)c1Cl	1
C[NH+]1CCN([C@@H]2COc3ccccc3[C@@H]2[NH3+])CC1	2
C[C@H]1C(=O)CCN2c3ccccc3CC[C@@H]12	0
NC(=[NH2+])c1cccc(N2CCCCN(C3CCN(C(N)=[NH2+])CC3)C2=O)c1	2
Cc1nc(S(=O)(=O)NCc2ccc3c(c2)CCO3)cn1C	0
NS(=O)(=O)N1CCCN(CCC[N@H+]2CCCN(S(N)(=O)=O)CC2)CC1	1
CCOC(=O)c1c(C)oc2cc(C[NH+](C)C)c(O)cc12	1
C=CC[n+]1c2n(c3ccccc31)C[C@@H](O)CS2	1
CC(C)(C)[NH2+]C[C@@H](O)COc1ccccc1NC(=O)c1ccco1	1
Cn1nnc(C2=CCC[NH2+]C2)n1	1
C[NH+](C)CC(C)(C)C[NH2+][C@@H]1C[C@H]2CC[C@@H]1C2	2
CC[C@@H](C)[NH2+]C[C@@H](O)c1ccc(N)cc1	1
C[NH+](C)C[C@@H]1CC(=O)[C@@H](C[NH+](C)C)CC1=O	2
CN(C)C(=O)Oc1ccc[n+](C)c1	1
CN1C(=O)COc2c(C(=O)N[C@H]3C[NH+]4CCC3CC4)cc(Cl)cc21	1
CC[NH+](CC)CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(F)cc1	1
O=C([C@@H]1CCC[NH2+]C1)N1CC[NH+](Cc2ccccc2)CC1	2
CCSC(=O)c1cccc(C(=O)SCC)c1	0
CCN(CC)c1ccc(/C=[NH+]/NC(=S)Nc2ccc(C)cc2)cc1	1
COc1cc(C)c(OC)c(C)c1CC1=[NH+]CCN1	1
CN1CCN([N-]S(=O)(=O)c2ccc(Br)s2)CC1	-1
Cc1ccc(OC[C@H](O)C[NH2+]C(C)(C)C)c2oc(=O)ccc12	1
Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]C(C)(C)C)c1	1
C[C@@H](C[NH+](C)C)[C@@](O)(Cc1ccccc1)c1ccccc1	1
Cc1c(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)cnn1C	2
CCN1/C(=C\C=C\c2oc3ccccc3[n+]2CC)Oc2ccccc21	1
O=C(N[C@@H](C(=O)[O-])c1ccccc1)c1ccc(Cl)cc1	-1
C[C@@H](O)C[NH2+]Cc1ccccc1F	1
Cn1nccc1C(=O)OCC(=O)Nc1ccc(F)c(Cl)c1	0
Nc1cccc(C(=[NH2+])NCCNC(=[NH2+])c2cccc(N)c2)c1	2
COCc1cc(C)nc(N2CC[NH+](Cc3ccccc3)CC2)c1C#N	1
Fc1ccc(N2CC[NH+](CCN3CC[NH2+]CC3)CC2)cc1	2
CC[C@@H]1CCC[N@H+]1CNC(=O)c1cc(OC)c(OC)c(OC)c1	1
CN(CC(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O)C(N)=[NH2+]	1
CC1(C)C=C(c2ccc(O)c(O)c2)CC(C)(C)[NH2+]1	1
COc1cc(C[N@@H+](C)C2CCN(C)CC2)cc2c1OCO2	1
Cc1ccc(C(=O)ON=C2CC[NH+](C)CC2)cc1	1
Cc1cn([C@H]2O[C@@H](CO)C[C@H]2O)c(=O)[nH]c1=O	0
NC(=O)c1ccccc1CN1Cc2ccccc2C1=[NH2+]	1
C[N@H+]1CCC2=C(C1)c1nsnc1SC2	1
CCC[NH+]1CCC(N(C)C2CC[NH+](C)CC2)CC1	2
Cc1ccc2[nH+]c(-c3ccc(O)cc3)c(NC[C@@H]3CCCO3)n2c1	1
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCOCC2)c(Cl)c1Cl	-1
Nc1nc(F)cc(Oc2ccc(I)cc2)n1	0
COc1ccc(S(=O)(=O)[N-]c2cccc(N(C)S(C)(=O)=O)c2)c(Cl)c1Cl	-1
CC[NH+](CC)C[C@H](O)CNc1nccc2c(C)c3[nH]c4cc[nH+]cc4c3cc12	2
C[NH+](C)CC[S@](=O)c1ccccc1	1
C[N+](C)(C)Cc1c(O)cccc1[N+](=O)[O-]	1
CCN1CCO[C@@H](CNC(=O)C(=O)N(C)CCN2CCCS2(=O)=O)C1	0
Cn1nc(C(=O)N2CC[C@H]([NH+](C)C)C2)c2ccccc21	1
CC[NH+](CC)C[C@H](O)CNc1[nH+]cc(C)c2c1c1cc(O)ccc1n2C	2
O=S1(=O)C[C@@H](N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)[C@@H](O)C1	0
Cc1nc2n(CC[NH+]3CCCCC3)c3ccccc3n2n1	1
Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2	-1
COc1ccccc1NC[C@@H](O)C[NH3+]	1
CC[NH+](CC)CCOc1c(Br)ccc2c1sc1nc3n(c(=O)c12)CCC3	1
FC(F)(F)c1ccc2c(c1)nnn2C1CC[NH2+]CC1	1
CCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH2+]CCCN3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1	2
CC[C@@H](C)[NH+]1CCN(S(=O)(=O)CCC[NH+]2CCC(CNC(=O)c3cccc4c3OCCO4)CC2)CC1	2
Oc1ccc(-c2cncc(-c3ccc(O)cc3)c2)cc1	0
Clc1cccc2c1CN(C1=[NH+]CCN1)C2	1
CC(C)(C)NC(=O)C1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1	1
CC(=O)N1C[C@@H]2c3ccccc3CC[N@H+]2[C@H]1c1ccccc1	1
CCCCN1C(=O)[C@@]2(NC(=[NH2+])NC(N3CCCCC3)=[NH+]2)c2ccccc21	2
COc1ccc2[nH]cc(C3CC[NH+](C)CC3)c2n1	1
C[C@@H]1CCc2c(sc(NC(=O)CSc3nncn3C)c2C#N)C1	0
C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1	2
CC[NH+]1CCC(NC(=O)C[N@@H+](C)CCOc2ccc(F)cc2)CC1	2
OCC[NH+](CCO)C1CCC(c2ccccc2)CC1	1
C[N@H+]1[C@H]2CC[C@@H]1CC(NC(=O)CS(=O)(=O)c1ccccc1)C2	1
O=C(Cc1ccccc1)NC1(O)C(=O)c2ccccc2C1=O	0
Cc1cc(C)[n+](C)n1C[C@@H](O)Cn1c2ccccc2c2ccccc21	1
[NH3+]CC(=O)Nc1ccc(C(F)(F)F)cc1	1
O[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1	1
COc1ccc([C@@H]2C[C@@](C)(O)Oc3cc4c(cc32)OCO4)cc1	0
CC[N@H+]1CCC[C@H]1CN(CC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)cc1	2
CCOC(=O)C1=C(COCC[NH2+]CC(=O)NCC[NH3+])NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl	2
C[N@H+]1[C@H]2CC[C@@H]1CC(NS(=O)(=O)c1ccc(F)cc1)C2	1
CN(C1CC[NH+](C)CC1)[C@@H]1CC(=O)N(c2ccccc2)C1=O	1
CCOc1ccc(N2C(=O)C[C@H]([NH2+][C@@H]3CCCCNC3=O)C2=O)cc1	1
Cc1c(CCO)c(=O)[n-]n1S(=O)(=O)c1ccc(Cl)cc1Cl	-1
O=C(N1CCOCC1)[n+]1ccc(N2CCOCC2)cc1	1
COc1ccc(C[NH2+]Cc2ccc(OC)cc2)cc1	1
Cc1cc(NC(=O)CSc2ncnc3sc4c(c23)CCC4)no1	0
CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1Cl	1
Cc1cn2c(C)nc([N+](=O)[O-])c2n1CCCC(=O)[O-]	-1
O=C(NCC[NH+]1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)c1ccc(F)cc1	1
NC(=O)c1sc2cc(N3CCC([NH3+])CC3)cc(OCC[NH3+])c2c1N	2
CS(=O)(=O)c1ccc(N2CC[NH2+]CC2)cc1	1
CC[C@H]([NH3+])[C@@H]1CCCCNC1=O	1
COC(=O)C1=C(NNc2ccccc2)CN(c2ccc(Cl)cc2)C1	0
COC(=O)CC[NH+]1CCCCC1	1
CN1CC[NH+](C[C@H]2C[C@@H](C(=O)NCC[NH+](C)C)CN(Cc3nccn3C)C2)CC1	2
Cc1ccccc1C[N@H+]1CCC[C@@H](O)C1	1
C[NH+](C)C[C@@H]1Oc2ccccc2O[C@@]1(O)c1ccccc1	1
O=C(N1CCOCC1)N1CCC(Cc2ccccc2)CC1	0
COc1cc(N)c(Cl)cc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1	1
C[NH+]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1	1
NC(=O)C1CC[NH+](CC(=O)Nc2ccccc2N2CCOCC2)CC1	1
CN(C(=O)C(=O)NCCN(C)S(=O)(=O)c1cccs1)[C@H]1C[NH2+]C[C@@H]1O	1
CCS(=O)(=O)NCCNC(=O)N1CCN(CC(=O)N(C)C)CC1	0
C[N+]1(Cc2ccc(C[N+]3(C)CCOCC3)cc2)CCOCC1	2
COc1ccc(Oc2ccccc2[N+](=O)[O-])cc1	0
OC[C@@H]1CCCC[N@H+]1Cc1ccsc1	1
COc1cc(SC)ccc1C(=O)Nc1ccccc1C(N)=O	0
O=C([O-])C[C@@H](NCc1ccco1)C(=O)Nc1cccc(F)c1	-1
COc1ccc(C[NH+]2CCC(O)CC2)cc1Br	1
Cc1[nH]c2ccc(C[NH3+])cc2c1C	1
NC(=O)C1([NH+]2CCCCC2)CCN(CCCN2c3ccccc3CCc3ccc(Cl)cc32)CC1	1
C[NH+]1CCC([NH2+]CCc2cccc(F)c2)CC1	2
O=C(COc1ccc(F)cc1)NCC[NH+]1CCCC1	1
C[NH+](C)Cc1cc2oc(=O)c3c(c2cc1O)CCCN3	1
C[NH+]1CCC(OC(=O)COc2ccc(Cl)cc2Cl)CC1	1
C[N@H+]1CCc2c(sc(NC(=O)Cc3ccccc3)c2C#N)C1	1
Cc1c(C)n(C[C@@H](O)C[NH2+]Cc2ccco2)c2ccccc12	1
C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](CNC(=O)CCc2nnc3ccc(N4CC[NH+](C)CC4)nn23)C1	2
O=C1C[C@@H](C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)NC(=O)N1	0
CC(C)[NH+]1CCC(N2CC[N@@H+](CCCn3cccn3)C[C@@H]2CCO)CC1	2
C[C@@H]1C[C@H](OC(=O)c2ccccc2O)CC(C)(C)C1	0
NC(=O)c1ccn2c1CS[C@H]2c1cccnc1	0
[NH3+][C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	1
CCCn1c(=O)c2nn(CC[NH+](C)C)nc2n(C[C@H](C)CC)c1=O	1
CC[C@@H]1C(=O)NCCN1C(=O)/C=C/c1ccccc1	0
COc1ccccc1C(=O)OC1CC[NH+](C)CC1	1
OCCC1(O)CC[NH+](Cc2ccccc2)CC1	1
COC(=O)c1cc2ccccc2c(N)c1O	0
COc1cccc(N2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)c1	1
COc1ccc(N2C[C@@H](C(=O)NCc3ccco3)CC2=O)cc1	0
COc1ccc(C[NH2+]C2CCCC2)cc1O	1
CC[C@@](O)(CC[NH+]1CCCCC1)c1ccccc1	1
Cc1c(/[NH+]=C/c2ccc(N(C)C)cc2)c(=O)n(-c2ccccc2)n1C	1
O=C(c1ccncc1)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1	1
C[C@@H]1CN(c2oc(-c3ccc(F)cc3)nc2C#N)C[C@@H](C)O1	0
O=C([O-])[C@@H]1SCCN1S(=O)(=O)c1ccc(/N=N/N2CCOCC2)cc1	-1
C[NH+](C)CCn1c2c(c3ccccc31)CCCn1cnnc1-2	1
Nc1nc2ccccc2n1CC[NH+]1CCCCC1	1
CC(C)(C)S(=O)(=O)c1ccsc1S(C)(=O)=O	0
c1cc(C2=[NH+]CCN2)cc(-c2ccc(-c3cccc(C4=[NH+]CCN4)c3)o2)c1	2
CCOC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccc(Cl)cc1Cl	0
CC(=O)N1CCC([NH2+]C(c2ccccc2)c2ccccc2)CC1	1
C[NH+]1CCN(c2cccc(Cl)n2)CC1	1
Cc1cc(C)cc(NC(=O)C[NH+]2CCCCC2)c1	1
O=C(Cn1c(C(F)(F)F)nc2ccccc21)NCC[NH+]1CCCC1	1
N#Cc1ccc(C(=O)N[C@@H]2CCc3ccccc3C2)cn1	0
Fc1ccc(NC2=[NH+]CCN2)cc1	1
Cc1ccc(CCP(=O)([O-])CCc2ccc(C)nc2)cn1	-1
COc1ccc([C@@H]2Nc3ccccc3C(=O)N2NC(C)=O)cc1	0
Cc1cc(C)c(C#N)c(OCC(=O)N/N=C/c2ccccc2Cl)n1	0
c1ccc2c(c1)[nH]c1[nH+]c3c(n12)CCCC3	1
CCCc1[nH+]c2ccc(Br)cn2c1NC(C)(C)C	1
COc1cc(Br)cc2cc(C(=O)[O-])c(=O)oc12	-1
CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](C)C(N)=O	1
O=C([O-])CCCc1ccc(NS(=O)(=O)c2ccccc2)cc1	-1
C[NH+](C)CC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@H+](Cc2ccccn2)C1	2
CC[C@]1(C)C[C@]2(CCC[N@@H+](CCO)C2)CCO1	1
c1ccc2c3c([nH]c2c1)C1(CC[NH2+]CC1)NCC3	1
C[NH+](C)CCN(Cc1ccccc1)c1nc2ccccc2o1	1
O=S(=O)(c1ccccc1)n1ccc2c(N3CC[NH2+]CC3)cccc21	1
O=C(NCC[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-]	1
N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@](O)(C(N)=O)C2)c1	0
NS(=O)(=O)N1CCc2ccc(NC(=O)[C@]34C[NH2+]C[C@H]3COC4)cc21	1
C/C(=[NH+]/NC(N)=S)c1ccc(N)cc1	1
Cc1c(-c2ccccc2)oc2c(C(=O)OCC[NH+]3CCCCC3)cccc2c1=O	1
C[NH2+]C[C@@H](O)c1ccc2cc[nH]c2c1	1
COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cccs2)c1	0
Cc1[nH+]ccn1Cc1ccccc1	1
C=CC[N@@H+]1CC=C(c2ccc(F)cc2)CC1	1
Cc1cc(-c2ccccc2)o[n+]1C	1
COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCO2)cc1	1
CC[C@@]1(C2=[NH+]CCN2)Cc2ccccc2O1	1
Cn1nc(C(=O)NC2C[C@@H]3CC[C@H](C2)[N@H+]3C)c2ccccc21	1
FC(F)(F)c1nnc2ccc(N3CCCCC3)nn12	0
CN(C)c1nccc(N(CC[NH+](C)C)Cc2ccccc2)c1C#N	1
C[NH+](C)CCNC(=O)C[C@@H]1O[C@H](C[NH2+]Cc2ccccn2)[C@@H](O)[C@H]1O	2
COc1ccc(C(C)=O)cc1C[NH+]1CCCCC1	1
O=C1C[C@@H](Cc2ccccc2)C(=O)N1c1ncccn1	0
C[NH+]1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1	1
CC(=O)N1CCc2cc(NC3CC[NH+](Cc4ccccc4)CC3)ccc21	1
COc1ccc(C[NH3+])cc1Cl	1
COc1ccc2[nH+]ccc(N3CC[C@@H]([NH2+]CCNS(=O)(=O)c4ccc5c(c4)NC(=O)CS5)C3)c2n1	2
Cc1cc(C)[n+]2nc(SCc3ccccc3)sc2n1	1
C[C@@H]1CN(C2=[NH+]CCN2)C[C@@H](C)O1	1
COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C[NH+]2CCC1CC2	1
NC(=O)c1ccc(N2CCN(C(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)CC2)nc1	0
Nc1nnc(Cc2c[nH]c3ccccc23)s1	0
CC(C)[NH+]1CCC([NH2+]Cc2ccc(S(N)(=O)=O)cc2)CC1	2
O=C([O-])CN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O	-1
CC(=O)Nc1ncc(C[NH+]2CCC(C)CC2)s1	1
C[N@@H+](CCc1ccccn1)Cc1c[nH]c2ccccc12	1
CC(=O)CC(=O)N1[C@@H](O)CC[N+]1(C)C	1
O=C([O-])c1nccnc1C(=O)NC(c1ccccc1)c1ccccc1	-1
O=C(Nc1ccc(F)cc1)N1CCN(c2cc[nH+]cc2)CC1	1
CC(C)OC[C@H](O)C[N@H+]1CCc2ccccc2C1	1
O=C([O-])CNC(=O)CNS(=O)(=O)c1ccc(Br)cc1	-1
Cn1c(=O)c2cc3cc(-c4ccccc4)ccc3nc2n(C)c1=O	0
CCOC(=O)C(C(=O)OCC)[C@@H](c1ccccc1)S(=O)(=O)[O-]	-1
COc1ccc(N2N=C(C(=O)c3ccc(C)cc3)C(O)(O)C2=O)cc1	0
Nc1cc(S(=O)(=O)c2ccc(O)c(N)c2)ccc1O	0
CCn1cc[nH+]c1C[C@H]1COc2ccccc2O1	1
CN(C)c1ccc(/C=C/C[N@@H+](CCO)Cc2ccccc2)cc1	1
CCN1CCN(CC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)C(=O)C1=O	0
CC(C)[NH+]1CCC(N2CCN(c3ccccc3)CC2)CC1	1
O=C([O-])Cc1sc(-c2cccc(-n3cccc3)c2)nc1O	-1
CN1CCOC[C@@H]1CNC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1	0
Cn1c[n+](C[C@@H](O)COc2ccccc2)c2ccccc21	1
CC(C)(C)[NH2+]C[C@H](O)c1ccc(O)cc1Cl	1
CCc1ccc(C(=O)[C@H](C)C[NH+]2CCCC2)cc1	1
Cc1cc2c(-c3ccccc3F)nc(N3CC[NH2+]CC3)nc2s1	1
CC1CC[NH+](C[C@H](O)COC2CCC(C(C)(C)C)CC2)CC1	1
COc1ccc(C[NH+]2CCC(C(=O)NC(C)(C)C)CC2)c(OC)c1	1
Clc1ccc(C=NNC2=Cn3c(nc4ccccc43)N[NH2+]2)cc1	1
COc1ccc(CSC2=[NH+]CCN2)cc1[N+](=O)[O-]	1
C[N@H+]1[C@H]2CCC[C@@H]1CC(NC(=O)c1cccc3nc[nH]c13)C2	1
CCCCN1C(=O)CC[C@@H]2C[N@@H+](C3CC[NH+](C)CC3)CC[C@@H]21	2
Cc1cccc(C)c1N1C(=[NH2+])NC(=[NH2+])NC1(C)C	2
CCCc1nc(S(=O)(=O)c2ccc(C)cc2)c(NC)o1	0
Cc1cc(Cl)nc(Cl)c1C(=O)NC(=O)Nn1cnnc1	0
Cc1cc(C)c2cc(C(=O)NCC[NH+]3CCCCC3)[nH]c2c1	1
Cc1cc(C)[n+]2ccsc2n1	1
NC(=[NH2+])COc1ccccc1Cl	1
C[NH+](C)[C@@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1	2
C1C[NH+]([C@H]2CC[C@H]3S[C@@H]2CC[C@@H]3[NH+]2CCOCC2)CCO1	2
O=C(SCc1ccccc1)c1ccccc1	0
COCCN1CCCN(C(=O)C(=O)N2CCO[C@@H](CC(N)=O)C2)CC1=O	0
[NH3+][C@@H]1CSc2[nH]c3ccccc3c2C1	1
C[NH+]1CCN(c2ncc(-c3cc(Cl)cc(Cl)c3Cl)c(N)n2)CC1	1
O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CC[NH+](CCc2ccccc2)CC1	2
CN1CCc2[nH+]c(N(C)C)cc(N)c2C1	1
Cc1ccc2c(c1)C(=NNC(N)=[NH2+])C(=O)N2	1
C[NH+](C)CC(C)(C)CNC1C[C@@H]2CC[C@H](C1)[N@H+]2C	2
C/C=C(\C)C(=O)OC1C[C@@H]2CC[C@H](C1)[N@H+]2C	1
C[n+]1ccc(/C=C/c2ccc(O)cc2)cc1	1
C=CC[NH+](CC=C)C[C@H](O)Cn1cnc2c1c(=O)n(C)c(=O)n2C	1
C[C@H]1C[N@@H+](C)CC[C@]1(O)c1ccccc1	1
Cn1c(NC(=O)CNC(N)=[NH2+])ccc1C(=O)NCCC(N)=[NH2+]	2
NC(=O)CCOC1CC[NH+](Cc2ccccc2)CC1	1
C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)CNS(=O)(=O)N(C)C	0
c1ccc2c(c1)CN(c1cc[nH+]c3ccccc13)C2	1
O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@]12C[NH2+]C[C@H]1COC2	2
COc1ccc(C[NH2+][C@@H](C)[C@@H]2COc3ccccc3O2)c(OC)c1	1
COc1cc2[nH+]ccc(N)c2cc1OC	1
O=C(Cn1ccc2ccccc2c1=O)NCC(=O)N1CCOCC1	0
Cn1ccc2cc(NC(=O)Nc3cncnc3)ccc21	0
COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	1
CCn1cc([N-]S(=O)(=O)c2c(C)n[nH]c2C)c(C(=O)NCC(C)C)n1	-1
O=C1CC[NH+](CCc2ccccc2)CC1	1
Clc1ccc2c(c1)sc[n+]2Cc1cccc2ccccc12	1
O=C(NC(=S)NN1CCCCC1)c1csc([N+](=O)[O-])c1	0
CSc1ccc2ncn(/C=C/C(=O)[O-])c(=O)c2c1	-1
CC(CN1CCN(S(N)(=O)=O)CC1)CN1CCN(S(N)(=O)=O)CC1	0
CCOc1c(Cl)cc(Cl)cc1C[NH2+]CC1CC[NH2+]CC1	2
Cn1c(=O)c2c(ncn2CCC[NH+](C)C)n(C)c1=O	1
O=[N+]([O-])c1cc2c(cc1C[NH2+]C1CCCCC1)OCO2	1
CC1(C)CC[C@]2(C)CCC(C)(C)[NH+]=C2N1	1
O=C(C[NH+]1CCCCC1)N1CCc2[nH]c3ccccc3c2C1	1
c1ccc2c(c1)COC(C[NH+]1CCCC1)OC2	1
CCOC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2	-1
c1ccc2[nH]c(SCC[NH+]3CCCC3)nc2c1	1
CC(C)(C)NC(N=N)NCC1CC1	0
Cc1ccc(OC[C@H]2CCC[NH2+]2)cn1	1
NC(=[NH2+])c1ccc(-c2cc(-c3ccc(C(N)=[NH2+])cc3)on2)cc1	2
O=C(Nc1ccc(Cl)cc1)c1cccnc1	0
C[NH2+]C[C@@H](O)c1ccc(O)c(OC)c1	1
c1coc(C[NH2+]CC2OCc3ccccc3CO2)c1	1
[NH2+]=C(NOC(=O)c1ccc(Br)o1)c1ccc(C[NH+]2CCCCC2)cc1	2
[NH3+][C@H](Cc1ccccc1)C(=O)Nc1ccccc1	1
C[NH+](C)Cc1cc(NS(C)(=O)=O)ccc1Oc1ccc(C(F)(F)F)cc1	1
COc1ccc(C[C@@H](O)C[NH+]2CCCCC2)cc1	1
C[NH+]1CCC(OC(=O)c2cccc(F)c2)CC1	1
CSc1ccc(Oc2ccc(S(N)(=O)=O)cc2C[NH+](C)C)cc1	1
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNCc1ccco1	-1
C[NH+](C)Cc1cc(C(N)=O)ccc1Oc1ccc(OC(F)(F)F)cc1	1
CS(=O)(=O)N1CCN(C(=O)N2CCOCC2)C[C@H]1C(=O)N[C@H]1CCCNC1=O	0
Cc1c[nH]c(=O)n(CCC[NH+]2CCN(c3ccccc3OCC(F)(F)F)CC2)c1=O	1
C[C@H](C(N)=O)[S@@](=O)C(c1ccccc1)c1ccccc1	0
Cc1[nH]c2ccccc2c1Sc1ccccc1	0
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
C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)C1=O	2
CC1CC[NH+](CC(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)CC1	1
O=S(=O)(N=C1NC[C@H]2CCC[C@H]2N1)c1ccccc1	0
COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1cccs1	0
COc1ccc(Cl)cc1C(=O)NCCc1ccc(C(=O)[O-])cc1	-1
CCOC(=O)N1CC[NH+](C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1	1
C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2)C1	1
CN1c2ccccc2Oc2nnc(N3CC[NH+](C)CC3)cc21	1
O=c1ccc(=O)n(-c2ccccc2)n1CCC[NH+]1CCC2(CC1)OCCO2	1
COc1ccccc1N1CC[NH+](C[C@@H]2CN=C3c4ccccc4NC(=O)N32)CC1	1
CCOC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2CCOC)CC1	2
CC(CC[NH+]1CCN(C(=O)CO)CC1)CC[NH+]1CCN(C(=O)CO)CC1	2
Cc1cc(C)n(-c2cc(C)[nH+]c(N)n2)n1	1
COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](C[NH+]2CCCC2)C1	1
CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCN(C(=O)C2CCCCC2)CC1	1
Fc1cccc(F)c1C[NH+]1CCCCC1	1
CC[NH+](CC)CCNc1[nH]c(=O)nnc1C	1
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCCC[NH+]1CCOCC1	2
O=C(CN1C(=O)COc2ccccc21)NCC[NH+]1CCCC1	1
CC1(C)[C@H]2CC=C(C[N@H+]3CCC[C@@H]3CO)[C@@H]1C2	1
CCOC(=O)C1(c2ccccc2)CC[NH+](C)CC1	1
CC(=O)N1CC[NH+](C[C@@]2(O)CCCN(C(=O)CNS(C)(=O)=O)CC2)CC1	1
C[NH+]1CCN(c2nc3ccccc3o2)CC1	1
OCC[N@H+]1CCCN(c2nc3ccccc3o2)CC1	1
C[C@H](C[NH3+])c1cc(F)cc2ccoc12	1
Cc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1	1
CC(C)(CO)CNc1nc(N)nc(Cl)c1N	0
CC(C)(CO)CNc1cc(Cl)nc(N)n1	0
CC(C)[NH+]1CCC([NH2+]C2CCN(C(N)=O)CC2)CC1	2
O=[N+]([O-])c1ccc(C[NH+]2CCC(O)CC2)cc1	1
O=C1NCCCC[C@@H]1[NH2+]C[C@@H](O)c1ccccc1	1
[NH3+][C@@H](c1ccccc1)P(=O)([O-])[C@@H]([NH3+])c1ccccc1	1
CC(C)C[NH+]1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1	1
COC(=O)CC[NH+]1C=CC(C)(C)C=C1	1
CCC(=O)Nc1ccc2[nH]cc(C3CC[NH+](C)CC3)c2n1	1
CCN(CC)C(=O)[n+]1ccc(N)cc1	1
CCc1c(C)sc(NC(=O)c2ccncc2)c1C(=O)OC	0
Cc1[nH]c2c(Cl)cc(Cl)cc2c1CC[NH3+]	1
C[C@@H]1S[C@@]2(C[NH+]3CCC2CC3)NC1=O	1
O=S(=O)(c1ccccc1)N(CCO)C1CCCCC1	0
C[NH2+][C@@H](C)c1ccc(OC)c(OC)c1	1
Nc1nc2c3c(ccc2s1)CCCC3	0
O=C(Nc1ccccc1)c1ccc[n+](Cc2ccc([N+](=O)[O-])cc2)c1	1
Cc1oc2c(c1C(=O)Nc1ccc(C(=O)[O-])cc1)CCCC2	-1
Cc1cccc(C)c1NC1=[NH+]C(=[NH2+])NC2(CCCC2)N1	2
C[N+]1(CCC[N+]2(C)CCC3(CCCCC3)CC2)CCOCC1	2
O=C1CCCC[C@@H]1C[NH+]1CCCCC1	1
COC(=O)c1ccc2[nH]c(C)c(C[N@@H+](C)C3CCCCC3)c(=O)c2c1	1
Fc1ccc([C@H]2CC[NH2+]C[C@@H]2COc2ccc3c(c2)OCO3)cc1	1
CC1(C)CC(NC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)CC(C)(C)[NH2+]1	1
C[NH+]1CCN(c2ccccc2C=O)CC1	1
O=C(c1cc2ncc(Br)cn2n1)N1CCOCC1	0
c1ccc2cc3c(NCCN4CCOCC4)cc[nH+]c3cc2c1	1
CN1C(=O)[C@H]2[C@@H]([NH+]=C(NCCN3CCOCC3)N2C)N(C)C1=O	1
NC(=O)N(O)Cc1ccc(-c2ccccc2)o1	0
Cc1cnc2ccc(Br)c[n+]2c1C	1
Cc1ccc(/C=N/N2CCN(c3ccccc3)CC2)s1	0
CS(=O)(=O)N1CCN(S(=O)(=O)NCC2CC[NH+](CCO)CC2)CC1	1
c1cc2cc(C3=[NH+]CCN3)[nH]c2cc1C1=[NH+]CCN1	2
CNC(=O)Oc1ccc(-c2c[n+]3cc(Cl)ccc3n2C)cc1	1
COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(OC)c(OC)c1	0
CC(=O)N1CC[NH+](c2[nH]c(=S)c(C#N)c3c2COC(C)(C)C3)CC1	1
CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N(C)CCOCCO)CCO1	0
C[C@@H]1CC(=O)c2n(Cc3ccccc3)nc[n+]2N1	1
CC(C)(CNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)NS(C)(=O)=O	1
COc1ccc2c(c1)CN(C(=O)CC[NH+]1CCC(Cc3ccccc3)CC1)CCS2	1
CC(C)[NH2+][C@H]1CCn2c(=O)[nH]c3cccc(c32)[C@@H]1O	1
CC(=O)NC1(C(Cl)(Cl)Cl)Oc2ccccc2O1	0
Cc1ccnc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1	-1
O=C1[N-]C(=S)NC(=O)C1=CNc1cc(Cl)ccc1O	-1
c1cc[n+](Cc2ccc3ccccc3n2)cc1	1
C[N@H+]1CCC[C@@H]1CCNS(=O)(=O)c1ccc(Br)cc1	1
Oc1cc(Cc2ccccc2)cnc1C[NH+]1CCCCC1	1
Nc1sc2c(c1C(=O)c1cccc(Cl)c1)CCCC2	0
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccccc1Br	-1
Cc1ccc2c(c1)sc[n+]2Cc1ccc(Br)cc1	1
C[NH+](C)CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1	1
CSc1nc(C)cc(C)c1C[NH3+]	1
CSc1ccc(OCc2ncc([N+](=O)[O-])n2C)cc1	0
C[NH+](C)[C@@](C)(CO)Cc1ccc(Cl)c(Cl)c1	1
C[NH+](C)CCOC(=O)c1sc2ccccc2c1Cl	1
COc1ccc2c(c1)N(CCC[NH+](C)C)c1ccccc1S2	1
C[NH2+][C@@H](C)C(=O)c1ccc(OC)cc1	1
[NH2+]=C1CC(C=O)=Cc2ccccc2N1	1
C[C@@H]1O[C@@]2(CS1)C[NH+]1CCC2CC1	1
CCOC(=O)N(c1ccccc1)S(=O)(=O)c1ccccc1	0
O=[N+]([O-])c1ccccc1C[N+]12CCC(CC1)[C@@H](O)C2	1
O=C(C[C@@H]1[NH2+]CCCNC1=O)Nc1cc(Cl)ccc1Cl	1
CC(C)[NH2+][C@@H](C)Cc1ccc(O)cn1	1
CC[C@@H](CO)[NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21	1
COc1ccc(/C=C2\SC(N3CCN(C(C)=O)CC3)=NC2=O)cc1	0
CC1(C)C[C@](Cc2ccccc2)([C@@H](C[NH3+])CO)CCO1	1
CC(C)(C)OC(=O)[C@H]1CCC[NH2+]1	1
CC(C)O[C@@]12Oc3ccccc3C=C1[NH+]1CCC2CC1	1
CC[C@@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1	-1
Cc1[nH]c2ccc(C(=O)OCC[NH+](C)C)cc2c1C	1
C[NH2+]C[C@@H](OC)c1cccc(C(F)(F)F)c1	1
CC(C)(C)[NH2+]C[C@@H](O)c1ccccc1F	1
Cc1cccc(NC(=S)N/[NH+]=C/c2ccc(N(C)C)cc2)c1	1
c1ccc(CN2CCC([NH2+]Cc3ccco3)CC2)cc1	1
[NH2+]=C1NC[C@@H](c2ccc(C(F)(F)F)cc2)O1	1
C[NH+](C)Cc1cccc(NC(=O)NCCC(=O)N2CC[NH+](C)CC2)c1	2
C=CC[N@@H+]1CC[C@H]2c3cccc(OC)c3CC[C@@H]21	1
Oc1ccc([C@H](O)C[NH2+]C2CCC2)cc1O	1
Cc1ccc(-c2nc(C[NH+]3CCCCC3)cc(C[NH+]3CCCCC3)c2[O-])cc1	1
C[N+]1(C)CCc2cc(Br)ccc21	1
CN(c1nc(-c2ccccc2)nc2ccccc12)C1CC[NH+](C)CC1	1
COc1ccc(Nc2[nH]cc[nH+]2)c(C)c1	1
C[C@@H]1CC[C@@H](NC(=O)N2CCN(CC(N)=O)C(=O)C2)CS1(=O)=O	0
[NH3+]C[C@@H](O)COc1c(Cl)cccc1Cl	1
CC[NH+](CC)CC(=O)Nc1c(C#N)cnn1-c1ccccc1	1
COc1cc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)nc(OC)n1	-1
C[NH+]1CCC(CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)CC1	2
Nc1cc(N)[nH+]c(SCC(=O)c2ccccc2)n1	1
CC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	1
Nc1ncnc2c1nc(Br)n2[C@@H]1C[C@@H](O)[C@H](CO)O1	0
O=C(C[N@H+]1CCc2ccccc2C1)Nc1ccccc1	1
CC(C)[NH2+]CC(=O)Nc1c2c(nc3ccccc13)N(C)CC2	1
COC(=O)[C@@H]1C[C@@H](O)CN(C[C@H](O)C[N@H+]2C[C@@H](O)C[C@@H](C(=O)OC)C2)C1	1
CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1	1
COc1cc(OC)c(OC)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O	-1
O=C1C[C@H](N2CCSCC2)C(=O)N1c1ccc(F)cc1	0
O[C@H]1[C@H]([NH+]2CCN(c3cnccn3)CC2)c2ccccc2C12CC[NH2+]CC2	2
Cc1nnc2sc(C(=O)Nc3ccccc3)c(C(=O)[O-])n2c1=O	-1
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccc(Cl)cc3)C2=O)cc(I)c1OC	-1
Cc1nn(Cc2ccccc2F)c(C)[n+]1N	1
COc1cccc(O)c1[C@@H]1[NH2+]Cc2ccccc2-n2cccc21	1
CCS(=O)(=O)C(C)(C)S(=O)(=O)CC	0
CS(=O)(=O)NC1CN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1	0
C[C@@H](Nc1nc(N2CC[NH2+]CC2)nc2ccccc12)c1ccccc1	1
NS(=O)(=O)c1ccc(NC(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1	0
C[N@H+]1[C@H]2CC[C@@H]1CC(NS(=O)(=O)c1cccc(C(F)(F)F)c1)C2	1
NC(=[NH2+])NC(=[NH2+])Nc1ccccc1[S-]	1
N#Cc1c(SCC[NH+]2CCCC2)nc2c(c1C(F)(F)F)CCCC2	1
CC(C)[NH+](CCCNC(=O)C(=O)NCC(=O)N1CC[NH2+]CC1)C(C)C	2
C[C@H](OC[C@H](O)C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(Cl)cc1	2
NNc1cc(N2CCOCC2)nc(OCCc2ccccn2)[nH+]1	1
Cc1cc[n+](Cc2ccc(Br)cc2)cc1	1
Cc1ccc(N2C[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1	0
[NH3+]Cc1ccc(C(F)(F)F)nc1	1
O=C(c1ccccc1-c1nc2ccccc2[nH]1)N1CCOCC1	0
NC(=[NH2+])c1ccc(C(F)(F)F)nc1	1
Cc1sc2ccccc2c1CC1=[NH+]CCN1	1
C[N@@H+](Cn1c(=O)oc2ccccc21)C1CCCCC1	1
CCS(=O)(=O)N1CCC(C(=O)NCC[N@H+]2CCCC[C@@H]2C)CC1	1
O[C@H](c1ccc(Cl)cc1)[C@@H](c1ccccc1)[NH+]1CCCCC1	1
CC(C)c1ccc(C[N@H+]2CCC[C@@H](O)C2)cc1	1
COc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1OC	1
C[C@@H](OC(=O)c1cccc(Cl)c1)c1ccc[n+](C)c1	1
CC1(C)Cc2ccccc2C(N2CCOCC2)=N1	0
COc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2)cc1	0
FC(F)(F)c1ccnc(N2CCC[NH2+]CC2)n1	1
CC(C)(CO)[NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21	1
COc1ccc(OC)c2c1CC[C@@]1(C[NH+]=CN1)C2	1
C[C@@]12CCCN1c1cc3[nH]c(=O)cc(C(F)(F)F)c3cc1CC2	0
c1ccc(C[NH+]2CCC(N3CCN(c4ncccn4)CC3)CC2)cc1	1
O[C@@]1(c2ccc(F)cc2)C[n+]2ccccc2N1c1ccccc1	1
CNC(=O)[C@@H]1CCCN1C(=O)C(=O)N1CCN(c2nccnn2)CC1	0
C=C1CC[NH+]([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1	1
S=C1N[C@H]2CCCC[C@@H]2N1C[NH+]1CCCC1	1
CC1(C)CC(N2CN(C3CCCCC3)CC2=O)CC(C)(C)[NH2+]1	1
Cc1nc(NC(=O)C[NH2+]CC2CC2)sc1C	1
C[NH+](C)C[C@@H](NC(=O)NCCC(=O)N1CC[NH+](C)CC1)c1ccccc1	2
C[N@H+]1CCCN(C(=S)Nc2ccccc2)CC1	1
C[NH+](C)CCC=C1c2ccccc2Sc2ccccc21	1
S=c1nnc2c(Nc3ccc(Cl)cc3)nc3[nH]onc-3n1-2	0
NS(=O)(=O)N1CCC(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1	1
C#CCC1(OC(=O)CC)CC[NH+](CCc2ccccc2)CC1	1
C[N@H+]1[C@H](c2ccccc2)CC(=O)[C@]2(O)CCCC[C@H]12	1
O=C1N=C(N2CCOCC2)S/C1=C1/C(=O)Nc2ccccc21	0
COc1ccc(OC)c(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])c1	-1
CC(C)n1cc2c3c(cccc31)[C@@H]1C[C@H](C(=O)N[C@@H]3CCC[C@@H]3O)C[N@H+](C)[C@H]1C2	1
NC(=O)CN1CCC([NH2+][C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)CC1	2
COc1ccc2c(c1)c(C(=O)CNC1=[NH+]CCS1)c(C)n2C	1
CN(C)S(=O)(=O)N1CCC[C@@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)C1	0
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cn1	0
COC(=O)[C@@]1(C)CC[C@@H](C(=O)Nc2ccccc2C(=O)[O-])C1(C)C	-1
CC[C@@H](NC(=O)C(=O)N1CCO[C@@H](C(=O)NC)C1)C(=O)N1CCOCC1	0
Cc1[nH]c[nH+]c1Cc1nc(-c2ccccc2)cs1	1
CCCNC(=[NH2+])NC(=[NH2+])Nc1ccc(Cl)cc1	2
CC1=C(C#N)[C@@H](c2ccc[n+](C)c2)C(C#N)=C(N)S1	1
O=S(=O)(NC[C@@H]1CCCO1)c1ccccc1	0
C[C@@H]1C[N+]2(CCCCC2)C[C@@](O)(c2ccc3ccccc3c2)O1	1
CCOC(=O)[C@@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C	0
COCC(=O)N1CCN(C(=O)C2CC[NH2+]CC2)[C@H](C(=O)N[C@H]2CCCNC2=O)C1	1
CC[N+](C)(C)c1cccc(O)c1	1
N#CCc1ccccc1C[NH+](CCO)CCO	1
COc1ccccc1CNC(N)=[NH2+]	1
Cc1cc(C)nc(SCC(=O)Nc2ccc(F)cc2F)n1	0
CCOC(=O)C1CC[NH+](Cc2ccc(F)c(F)c2)CC1	1
O=C([C@@H]1CNCCO1)N1CCN(S(=O)(=O)N2CCOCC2)CC1	0
Cc1ccc(F)c(C2=[NH+]CCN2)c1	1
O=C1SCCN1Cc1ccccc1	0
C[C@H](Oc1ccccc1)C(=O)NCc1ccncc1	0
CCOC(=O)C1CC[NH+](Cc2ccccc2OC)CC1	1
NC(=O)C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccnn3)CC2)CCO1	0
O=C([O-])c1nccnc1C(=O)Nc1cccc2c1CCCC2	-1
CCNC(=O)N1C(=O)C2(OCCO2)c2cc(Br)ccc21	0
CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@](C)(CC[N+](C)(C)C)O2	1
Cc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(C)c1	0
CC[NH+]1CCN(C(=S)Nc2cccc(F)c2)CC1	1
O=C1CCCN1[C@@H]1CCCc2ccccc21	0
CNS(=O)(=O)c1cccnc1N1CC[NH+](C(C)C)CC1	1
O=C1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)NC(=O)N1	1
C[NH+](C)C[C@@H]1CCC[C@@H](C[NH+](C)C)C1=NO	2
C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccccc2O)CC1	2
Nc1cc(N)[nH+]c(SCC(=O)N2CCc3ccccc32)n1	1
O[C@@H]1CCC[N@@H+](Cc2cccnc2)C1	1
C[N@H+]1CCCC[C@@H]1Cc1c[nH]cn1	1
C[C@@H](O)C[NH+](Cc1cccc(Cl)c1)C[C@@H](C)O	1
COc1cscc1C(=O)NC1(O)C(=O)c2ccccc2C1=O	0
CCC[n+]1ccc(-c2c[nH]c3ccccc23)cc1	1
CCO[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@H]1C[NH3+]	2
O=C1[N-]C(=O)C(=Cc2ccc(-c3ccc4c(c3)C(=O)NC4=O)o2)C(=O)N1	-1
CN1CCN(c2cc[nH+]c3ccc(NC(=O)Cc4cccc(Cl)c4Cl)cc23)CC1	1
c1cc(-c2nnc(-c3ccncc3)n2Nc2cc[nH+]cc2)ccn1	1
CCc1nn2c(=O)cc(N3CC[NH2+]CC3)nc2s1	1
Cc1c(Cl)cccc1NS(C)(=O)=O	0
S=C(NCc1ccco1)Nc1nccs1	0
CCS(=O)(=O)N1C[C@@H]2C[N@@H+](Cc3cc(=O)[nH]c(=O)[nH]3)C[C@]2(C(=O)[O-])C1	0
CCOC(=O)c1ccc(NC(=S)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1	1
O=C([C@@H]1CCC[NH2+]1)N1CC[NH+](C2CCCC2)CC1	2
[NH3+]C[C@@H](O)C[C@@H]1NC(=O)[C@@H]([NH3+])Cc2cc(ccc2O)-c2ccc(O)c(c2)[C@@H](O)[C@@H](C(=O)[O-])NC1=O	1
c1ccc(C[NH+]2CCSCC2)nc1	1
O=c1cc(Nc2ccc([NH+]3CCCCCC3)cc2)[nH]c(=O)[nH]1	1
CCOc1cc([C@@H]2NC(=S)NC(C)=C2C(=O)NC)ccc1O	0
CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)NCC(=O)N2CCNCC2)C1	0
C[C@@H](CNC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C)S(N)(=O)=O	0
CCN(CC)C(N)=C(C#N)N=Nc1ccc(C)cc1	0
NC(=[NH2+])NCCC[C@@H](NC(=O)C[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1	2
OC[C@@H]1CCC[N@@H+](Cc2ccc(Br)o2)C1	1
Nc1nc(Br)c2ncn([C@@H]3CC[C@H](CO)O3)c2n1	0
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC(C)C)cc1Br	-1
CC(C)(C)[NH2+]C[C@@H](O)COc1cccc2c1SCCC2	1
CC[NH+](CC)CC#CC1(OC(C)=O)CCCCC1	1
OCC[C@]12[NH2+][C@H](Cc3ccccc31)[C@@H]1CCCC[C@@H]12	1
NS(=O)(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1	0
C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(CC[NH+](C)C)CC[NH+](C)C	2
CCOC(=O)c1c(N)nn(C(=O)C(C)C)c1-c1ccc(OC)cc1	0
C=CC[N+]1(CC#Cc2ccccc2)CCOCC1	1
COCCN(C)S(=O)(=O)N1CCOC[C@@H]1CNS(C)(=O)=O	0
O=C1CS[C@@H](c2ccccc2F)N1CC[NH+]1CCCCC1	1
CC1=C[C@H](C)[C@@H](C(=O)[O-])[C@H](C(=O)N2CC[NH+](C)CC2)C1	0
C[C@@H]1CCCC[C@@H]1[N@H+]1CNc2c(c(=O)n(C)c(=O)n2C)C1	1
CC1CCN(Cn2ncn(C[NH+]3CCC(C)CC3)c2=S)CC1	1
C[NH+]1CCC(=NOC(=O)Nc2ccccc2)CC1	1
C[NH+](C)C[C@@H](O)COc1ccccc1CCc1ccccc1	1
[NH3+]Cc1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1	1
CNC(=O)N[C@@H]1CCN(C(=O)C(=O)NCCC(=O)N2CCN(C)CC2)C1	0
O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1CC[n+]1ccccc1	1
CC(=O)NC1CN(S(=O)(=O)CCCS(=O)(=O)N=c2nc[nH]n2C)C1	0
CCOC(=O)[C@@](Cl)([N-]C(=O)N[C@](Cl)(C(=O)OCC)C(F)(F)F)C(F)(F)F	-1
NC(=[NH2+])NCc1nc(-c2ccccc2F)cs1	1
Cc1ccc(Cc2cnc(C[NH+](C)C)c(O)c2)cc1	1
C[NH+](C)Cc1nc(-c2c(Cl)cccc2Cl)no1	1
CN(CCN1CCCS1(=O)=O)C(=O)C(=O)N1CC[C@@](O)(C(F)(F)F)C1	0
CNc1nc(NC[C@@]2(O)CCSC2)[nH+]c(NC[C@@]2(O)CCSC2)n1	1
CN1CC[NH+](C[C@@]2(O)CCCN(C(=O)CN3CCN(CCO)CC3)CC2)CC1	1
COc1ccc(S(=O)(=O)n2[n-]c(=O)c(CCO)c2C)cc1	-1
O=[N+]([O-])c1ccc([C@@H]2[NH2+]CC[C@@]3(O)CCCC[C@@H]23)cc1	1
Cc1nnsc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1	1
CC1=CC(=O)C[C@@H]2CCc3cc(Cl)ccc3N12	0
CCn1c(C)nc2cc(CO)ccc21	0
CN(C(=S)NCCc1ccccc1)C1CC[NH+](C)CC1	1
Cc1ccc(-c2nnc(SCC[NH+]3CCCCC3)n2C)cc1	1
CCn1c(N)[n+](CC(=O)c2ccc(C)cc2)c2ccccc21	1
C[C@@H]1C[NH+]=C(Nc2ccc(N)cc2)S1	1
Cc1cc(Nc2cccc(Cl)c2)nc(N2CCOCC2)[nH+]1	1
CC[N@H+]1CCC[C@@H]1CNC(=S)N1CC[NH+](C)CC1	2
CSC1=[NH+]C(C)(C)C[C@@](C)(c2ccc(O)cc2O)N1	1
NC(=O)c1ccc(NC(=O)Cc2ccc(Br)cc2)cc1	0
CC(=O)Nc1ccc2c(CCC3CC[NH+](Cc4ccccc4)CC3)noc2c1	1
Cc1[nH]c(=O)[nH]c(=O)c1C=CC(=O)N[C@@H](CO)C[S@@](=O)C[S@@](C)=O	0
CN1C(=O)OC2(CC(C)(C)[NH2+]C(C)(C)C2)[C@@]1(C)O	1
C[NH+](C)CCSc1nc(N)c2c3c(sc2n1)COC(C)(C)C3	1
C[N+]1(CCO)CCN(c2nc3ccccc3o2)CC1	1
CN(C)C(=O)Oc1ccc(C[NH+](C)C)cc1Cl	1
O=C(OCC[NH+]1CCCCC1)c1ccc(O)cc1	1
COc1cccc(C(=O)Nc2ccc(C(C)=O)cc2)c1	0
CN1C[C@H](NC(=O)[C@@H]([NH3+])CCCNC(N)=N[N+](=O)[O-])C[C@H]1C(N)=O	1
C[N+]1=C2C=C(N)C(=O)c3[nH]cc(c32)CC1	1
CCN1C(=O)/C(=C/C=C2\CCC[N@H+]2C)N(c2ccccc2)C1=S	1
C[C@@H](Cc1c[nH]c2ccc(Cl)cc12)/[NH+]=C/c1ccc(N(C)C)cc1	1
O=C(C[NH2+]C(CO)CO)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	1
CS(=O)(=O)NCCNC(=O)N1CCCN(S(C)(=O)=O)CC1	0
Cc1cc(C)c2[nH]c(C)c(CC[NH3+])c2c1	1
O=c1[nH]c(C[n+]2ccccc2)nc2ccccc12	1
Cc1[nH]c2c(C)ccc(C)c2c1CC[NH3+]	1
COc1cc2c(cc1OC)CC[NH+](CCc1ccc(N)cc1)CC2	1
CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)CCCNC(=O)C[C@@H](C(N)=O)NC1=O	1
N#Cc1ccc(-c2ccncc2)nc1SCC(=O)NC1CC1	0
CC[N@H+]1C[C@@]2(COC)[C@H]3[C@@H](OC)[C@H]4[C@@H]1[C@]3([C@@H](OC)C[C@H]2O)[C@@H]1C[C@]2(O)[C@@H](OC)[C@H](O)[C@@]4(O)[C@H]1[C@H]2O	1
C[NH+](C)Cc1c(O)ccc2ccccc12	1
Cc1cnn(C)c1NC(=O)C(=O)NC1CN(S(=O)(=O)N(C)C)C1	0
Nc1cc(SCc2cccnc2)[nH+]c(N)n1	1
COc1ccc2[nH]c(C(=O)[O-])c(CCNC(C)=O)c2c1	-1
C=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5	1
O[C@@H]1CCC[N@H+]([C@@H]2CCc3ccccc3C2)C1	1
CC1(C)SC[C@@H](C(=O)Nc2nnc(C3CC3)s2)N1C=O	0
CC(C)(C)NS(=O)(=O)c1ccc(F)cc1	0
Cc1ccc(NC2=NC3(CCCC3)NC(=[NH2+])N2)cc1	1
COc1ccccc1N1CC[NH2+]CC1	1
O=C1OCC[C@@H]2[C@@H]1[C@H]1CCC[N@@H+]1C21CC[NH+](Cc2ccccc2)CC1	2
CNS(=O)(=O)c1ccc(C)c(I)c1	0
Cc1nnc(=O)[nH]c1N1CC[NH2+]CC1	1
CCN(C)C(=O)CNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1	0
CS(=O)(=O)N1CCN(S(=O)(=O)NCCN2CCNC(=O)C2)CC1	0
C[NH+](C)CCOc1ccc(C#N)cc1	1
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CC[NH+](C)C)nc32)[C@H](O)[C@@H]1O	1
CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)C1	0
C[NH+](C)CCNC(=S)Nc1cccc(C(F)(F)F)c1	1
CC[C@@H]1C[N+]2(C)CCc3cc(OC)c(OC)cc3[C@@H]2CC1=O	1
O=C(C[NH+]1CCCC1)Nc1cccc(Cl)c1	1
O=C(CCn1c(=O)oc2ccccc21)NCC[NH+]1CCCCC1	1
CC[NH+](CC)CC(=O)Nc1sc2c(c1C#N)CCCC2	1
C[NH+](C)CCCn1c(=N)n(C[C@@H](O)c2ccccc2)c2ccccc21	1
C[N@H+]1CCC[C@@H]1CC[NH2+]C1C2CC3CC(C2)CC1C3	2
O=C1NCCCC[C@H]1NS(=O)(=O)c1ccc2c(c1)OCCCO2	0
N#CC1(c2ccccc2)CC[NH2+]CC1	1
Cn1cc(S(=O)(=O)NCCN2CCC[C@@H](CNS(N)(=O)=O)C2)cn1	0
O=C(Cc1ccccc1)N1CCN(C(=O)Cc2ccccc2)CC1	0
NC(=O)C(NC(=O)NC[C@@H]([C@@H]1CCOC1)[NH+]1CCOCC1)C(N)=O	1
CC1(C)CC(NC(=O)c2ccc(-n3cnnn3)cc2)CC(C)(C)[NH2+]1	1
O=c1c2ccccc2n2nnnc2n1-c1ccccc1	0
C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2C[NH+]3CCC2CC3)c1	1
CC(C)c1ccc(CNC(=O)CSc2nnc(N)s2)cc1	0
Cc1sc2nc3ccc(N4CC[NH+](C)CC4)nn3c(=O)c2c1C	1
CCOc1cc2c(cc1OCC)[C@@H](C(CC)CC)[NH2+]CC2	1
CCNC(=S)N1CC[NH+](CC)CC1	1
CC12CN3CC(c4ccccc4)(CN(C1)C3[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)C2=O	0
Cn1c(N)[n+](CC(=O)c2ccccc2)c2ccccc21	1
CC(C)NS(=O)(=O)NCCNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1	1
[NH3+]Cc1ccccc1Sc1ccccc1CO	1
CCc1n(CC)c2ccccc2[n+]1C[C@@H](O)COc1c(C)cccc1C	1
C[NH+](C)Cc1ccc([C@@H]([NH3+])c2ccncc2)cc1	2
C[NH+]1CCN(C[C@H]2C[C@@H](C(=O)NCCN3CCNC3=O)C[N@@H+](Cc3ccc4ccccc4c3)C2)CC1	2
Cc1cccc(OCC[NH+]2CCC([NH3+])CC2)c1	2
COC(=O)Cc1c(C(=O)OC)[nH]c(C)c1I	0
C[NH+]1CCN(c2ccc(CN3CCS(=O)(=O)CC3)cc2)CC1	1
Cc1cc(-n2cc[nH+]c2C)n2c(nc3ccccc32)c1C#N	1
CNC(=O)NC[C@@H]1CN(C(=O)C(=O)N2CCOC[C@@H]2C[C@@H](C)O)CCO1	0
CN1C(=O)[C@@H]2[C@@H]([NH+]=C(NCC[NH3+])N2Cc2ccccc2)N(C)C1=O	2
Nc1nc(SCC(=O)NC[C@@H]2CCCO2)[n-]c(=O)c1-c1ccccc1	-1
Cc1c(C[N@H+]2CCc3ccccc3C2)c(=O)n(-c2ccccc2)n1C	1
C[NH+]1[C@H](c2ccccc2)CC(C)(O)C[C@H]1c1ccccc1	1
C[NH+](C)CCSc1nc2ccccc2[nH]1	1
NC(=O)C1c2ccccc2CCc2ccccc21	0
N#Cc1c(N)n(CC[NH3+])c2nc3ccccc3nc12	1
COC(=O)c1ccc(NC(=S)N2CC[NH+](C)CC2)cc1	1
CN1C[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C(=O)N1	0
C[NH+](C)CC[C@@]1(C)OCCC2=C1Cc1ccccc12	1
C=C(C)[C@@H]1CC=C(C[NH+]2CCN(c3ccccn3)CC2)CC1	1
Nc1nc(N)[nH+]c(NC2CC2)n1	1
c1ccc2c(c1)OC[C@H](C[NH+]1CCCCC1)O2	1
O=[N+]([O-])c1nccn1C[C@H](O)C[NH+]1CCCCC1	1
COC(=O)c1ccc(NC(=O)Cn2ccnc2)cc1	0
CC(C)[C@@H](c1ccccc1)[C@H](O)CC[NH+]1CCCCC1	1
C[C@@H]([C@H](O)c1ccccc1)[NH+](C)C	1
CC1(C)CC(NCc2ccccc2)CC(C)(C)[NH2+]1	1
CC(C)[N@H+]1C[C@@H](C)[C@](OC(=O)c2ccccc2)(c2ccccc2)C[C@@H]1C	1
CCOC(=O)C1CCN(S(=O)(=O)N(C)C)CC1	0
C[C@@H]([NH3+])c1ccc(S(C)(=O)=O)cc1	1
CN1C(=O)C[C@H]([NH2+]CCc2ccc(S(N)(=O)=O)cc2)C1=O	1
Cc1ccn2ncc(C(=O)NC3C[C@@H]4CC[C@H](C3)[N@H+]4C)c2c1	1
COc1ccc(/N=C/c2ccccc2N2CC[NH+](C)CC2)cc1	1
c1ccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)cc1	2
O=C(COc1ccccc1)NC(=S)N1CCCc2ccccc21	0
C1=C(c2ccccn2)C2CCN1CC2	0
O=C([O-])c1cccc(NC(=S)N/N=C/c2ccc([N+](=O)[O-])cc2)c1	-1
Cc1ccc([C@@H](O)CN2C3=[NH+]CCCN3c3ccccc32)cc1	1
Cc1nc(S(=O)(=O)NCCC(=O)N2CCN(S(N)(=O)=O)CC2)cn1C	0
O[C@@H](COc1cccc(C[NH2+]Cc2cccnc2)c1)C[N@H+]1CCc2ccccc2C1	2
Nc1cc[nH+]cc1Oc1ccccc1	1
CCc1nc(N2CC[NH2+]CC2)c2ncn(C)c2n1	1
O=C(C[NH+]1CCCC1)Nc1c2c(cc3c1CCC3)CCC2	1
CC[NH+]1CCN(Cc2nc(-c3c(C)ncc4c3CC[NH2+]C4)no2)CC1	2
OCC[NH+](CCO)Cc1ccccc1Sc1cccc2ccccc12	1
C[NH2+][C@H](C(=O)N[C@@H]1C=C(C(=O)N[C@H](C)C(N)=O)C[C@@H](O)[C@@H]1O)C(C)C	1
C[C@@H]1CC(C[NH3+])(CC(=O)[O-])C[C@H]1C	0
CCOC1CC(CNC(=O)NC[C@@](C)(O)C[NH+](C)C)(N2CCOCC2)C1	1
O=C(c1ccco1)N1CC[NH+](C2CCCC2)CC1	1
NC1=NC[C@@]2(C[NH+]3CCC2CC3)O1	1
O=C(NCCc1ccccc1)[C@@H]1CC(=O)N2CCN=C2S1	0
Cc1c(Cl)cccc1NC(=O)C([O-])=C1C(=O)NC(=O)NC1=O	-1
CCN(C)C(=O)Oc1nsnc1-c1c(Cl)cccc1Cl	0
COc1ccc([C@@]2(CC[NH3+])C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1	2
CC[NH+]1CCC(NCc2ccccc2F)CC1	1
CC(C)(C)[NH2+]C[C@@H](O)c1ccc(O)c(NC(N)=O)c1	1
CC(C)OC(=O)c1cc2c(OC[C@H](O)C[NH2+]C(C)(C)C)cccc2[nH]1	1
C[NH2+]Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2C)cc1	2
CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1[NH+]1CCCC1	1
C/C=C(\C)C[N@@H+]1CCc2nnc([C@@H](C)NC(=O)C3CC[NH+](C)CC3)n2CC1	2
O=c1ccc2cccc(N3CC[NH2+]CC3)c2o1	1
COc1ccc(C[N@@H+](CCOC(C)=O)C2CCCCC2)cc1OC	1
CC1(C)Cc2c([nH]c3nc[nH+]c(N)c23)CO1	1
O=C(C[C@H]1CC[N@@H+](CCOc2cccc3c2OCCO3)C1)c1ccc(F)cc1	1
COc1ccccc1CN1CCC([NH+]2CCCCC2)CC1	1
c1ccc2sc(N3CC[NH2+]CC3)nc2c1	1
COc1cc2c(c(OC)c1OC)-c1ccc(N)c(=O)cc1[C@@H]([NH3+])CC2	1
COC(=O)[C@@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)C(C)C	1
C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](C)[NH2+]CCC[NH+](C)C)C1	2
CC[C@]1(C)C[C@@H]([C@@H](O)C[NH2+]Cc2ccc(OC)c(OC)c2)CCO1	1
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cccc(I)c1	-1
Cn1cc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)cc1C(N)=O	0
CCOC(=O)c1ccc(S(C)(=O)=O)c(C)c1O	0
NC(=[NH2+])CSc1ccccc1	1
C[NH+](C)Cc1ccc(O)c(CCc2ccccc2)n1	1
CCC[S@](=O)c1ccc2nc(NC(=O)OC)[nH]c2c1	0
Cc1ccc(CSC2=[NH+]CCCN2)cc1C	1
CCC[N@H+]1[C@H]2CC[C@@H]1CC(OC(=O)c1ccc(OC)c(OC)c1)C2	1
CCOc1ccc2c(c1)C(C)=CC(C)(C)[N+]2(C)C	1
CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1NCC[NH+](C)C	1
C[C@H](C[NH2+]C1CCCCC1)c1ccncc1	1
C[C@@H]1O[C@H](NNC(=O)c2ccc(Cl)cc2)[C@H](O)[C@H](O)[C@@H]1O	0
COc1cc(/C=N/n2cnnc2)cc(Cl)c1[O-]	-1
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC1(O)CC[NH+](C)CC1	2
C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](/C=C/c2ccccc2)N3)C1	1
CC(C)(C)[C@H]([NH3+])Cn1ccnc1	1
c1ccc2c(c1)nc1n2CCN1CC[NH+]1CCCC1	1
CN1CCN(C(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)CC1	1
NC(=O)CN1CCC[NH2+]CCN(CC(N)=O)CCN(CC(N)=O)CC1	1
Cn1c(=O)[nH]c(=O)c2c1ncn2CC[NH+](C)C	1
CC1=C(C(N)=O)[C@@H](c2ccccc2)N2NC(c3ccccc3)=NC2=N1	0
CC[NH+](CC)CCc1ccccn1	1
C[N@H+]1CCCN(C[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1	2
C=CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2CO1	-1
OCNc1nc2c3ccccc3nc(CC[NH+]3CCCCC3)n2n1	1
COc1cc(/C=C2\C(=O)NC(=O)N(C)C2=O)ccc1OCC(=O)[O-]	-1
Oc1c([C@@H](c2ccc(Cl)cc2)[NH+]2CCCC2)ccc2cccnc12	1
C[N@@H+](Cc1ccccc1)Cc1c([O-])ccc2c3c(c(=O)oc12)CCC3	0
C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1	0
C=CCNC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCC(=O)N(C)C2)CC1	0
O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c(Cl)c1	-1
Cc1cc(C)c2c(n1)sc1c(N3CC[NH+](C)CC3)ncnc12	1
CCOC(=O)[C@@H]1SCCN1c1ccc(C)cc1	0
O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)NCC(=O)N1CC[NH2+]CC1	1
C[N@H+]1CC[C@@](O)(CNS(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)C1	1
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1	2
O=S1(=O)C=C([O-])c2ccc(Cl)cc2N1Cc1ccccc1	-1
Nc1[nH]c2cc3c(cc2[nH+]1)N(Cc1ccc(S(=O)(=O)c2ccccc2)cc1)CCC3	1
O=C1C[C@H](N2CCOCC2)C(=O)N1c1cccc(Br)c1	0
Cc1ccc(S(=O)(=O)C[C@H](c2ccccc2)[NH+]2CCCC2)cc1	1
CC(C)(C)c1cc(CCC(=O)N2CC[NH2+]CC2)c(C(C)(C)C)cc1O	1
Oc1ccc(CCNc2nc(N3CC[NH2+]CC3)nc(N3CCN(c4ccc(Cl)cc4)CC3)[nH+]2)cc1O	2
O=c1[nH]c(-c2ccccc2)cn2ccnc12	0
C[NH+]1CCN(c2nccc(C[NH2+][C@@H]3CCC(=O)N[C@H]3c3cccc(F)c3)n2)CC1	2
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)c(Br)c3)C2=O)cc1	-1
COc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)c2cc(N)cc(CO)c2)cc1	1
C[N@@H+](C[C@@H](O)C(F)(F)F)C1CCCCC1	1
CCOC(=O)c1c(C[NH+](CC)CC)n(C)c2cc(Br)c(O)cc12	1
CC(C)[NH2+]CCn1c(-c2ccc(Cl)cc2)cn2c3ccccc3nc12	1
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1	0
C[N+](C)(C)CCOC(=O)[C@@H]1CCC[N+](C)(Cc2ccccc2Cl)C1	2
O=C1C[C@@H](c2ccc(S(=O)(=O)NC3CC3)cc2)CN1	0
O=CNN1C=[N+](Cc2ccccc2)NC1	1
C[NH+]1CCC([NH2+]CCc2ccccc2F)CC1	2
NC1=[NH+]N2C(=NC(c3ccccc3)=C[C@@H]2c2ccccc2)N1	1
NS(=O)(=O)c1ccc(CNC(=O)c2ccc(C[N@H+]3CC[C@@H](C[NH3+])C3)[nH]c2=O)cc1	2
O=[N+]1C=C(NCC2CC2)Nc2ccc(Cl)cc2C1c1ccccc1	1
CCn1c[n+](C[C@@H](O)COCc2ccccc2)c2ccccc21	1
C[N+](C)(C)NC(=O)c1ccccc1	1
CC(C)NS(=O)(=O)C[C@@H](C)c1ccccc1	0
CC(C)[C@@H](CNC(=O)C(=O)NC1CC[NH+](CCO)CC1)N1CCOCC1	1
CCC[NH+](CCC)[C@H]1CCc2cc3c(cc2C1)OCC3	1
O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N[C@@H]1CC[NH2+]C12CCC2	1
CC[C@@H](CO)NC(=O)[C@H]1C=C2c3cccc4c3c(cn4C)C[C@@H]2[N@H+](C)C1	1
NC(=[NH2+])NC[C@@H](O)CN(c1ccccc1)c1ccccc1	1
CCCc1nc(-c2cc(N)ccn2)c(-c2ccccc2C)s1	0
O=C(NCC[NH+]1CCCCC1)Nc1cccc2ccccc12	1
Cn1c2c(c(=O)n(C)c1=O)NC(c1ccc(Cl)cc1)C2=O	0
CCOC(=O)C1CC[NH+](Cc2ccco2)CC1	1
O=C(C1C[NH+](C[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)C1)N1CCOCC1	1
Cn1c2[n+](c3ccccc3c1=O)Cc1ccccc1-2	1
C[NH+](C)CCn1c(Cn2nnc3ccccc32)nc2ccccc21	1
N=C(NC(N)=[NH2+])S[C@@H]1CC(=O)N(c2ccccc2)C1=O	1
CSC(c1ccc(O)cc1)=[N+]1CCOCC1	1
O=C([O-])CC1(CC(=O)NCCc2c[nH]c3ccccc23)OCCO1	-1
CCOC(=O)c1cccc(NC2=NC3(CCCCC3)NC(=[NH2+])N2)c1	1
CN1CCC([N@@H+](C)Cc2cc(Br)cs2)CC1	1
CS(=O)(=O)Cc1cc[n+](Cc2ccc(F)cc2)cc1	1
Cc1cc(=O)n2c(n1)NC(=[NH+]CC[NH+]1CCCCC1)N[C@@H]2c1ccccc1	2
CN1CCN(S(=O)(=O)N2CCN(CCCC(=O)NC(N)=O)CC2)CC1	0
C[n+]1cccc(-c2n[nH]c(-c3ccccc3)n2)c1	1
COc1ccc([C@@H]2Sc3cc(Cl)ccc3N(CC[NH+](C)C)C(=O)[C@@H]2OC(C)=O)cc1	1
[NH3+]CCc1c[nH]c2ccc(C3CCCCC3)cc12	1
NC(=O)c1cnc2n1CCc1ccccc1C21CC[NH2+]CC1	1
C[C@@H](c1ccccc1)n1c[nH+]c2cc(N)ccc21	1
CC(C)(C)c1cc(-c2c[nH+]c3n2CCCCC3)cc(C(C)(C)C)c1O	1
O=C(O[C@@H]1C[NH+]2CCC1CC2)c1cccc(F)c1	1
CN(CCCNC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)S(C)(=O)=O	2
C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC1CCC2(CC1)NC(=O)NC2=O	2
C[NH+]1CCC(NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2[NH+]2CCCC2)CC1	2
Cc1ccccc1[N+](=O)Cc1ccncc1	1
O=C1c2ccccc2C(=O)N1C[C@]1(C(=O)[O-])NCCS1(=O)=O	-1
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	0
CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OC	-1
[NH3+]CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@]2(O)CCC[NH2+]C2)cc1	2
CC(=O)Nc1nc2ccccc2n1CC[NH+]1CCCC1	1
Cc1cc(C[N@H+]2CC[C@@H](C3CC[NH+](Cc4cccnc4)CC3)C2)[nH]n1	2
c1ccc2c(c1)ccn2Nc1cc[nH+]cc1	1
O[C@]1(c2ccccc2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCCC2	1
CCOC(=O)N1CCC([NH2+][C@@H](Cc2ccccc2)c2ccccc2)CC1	1
COC(=O)C=Cc1cn([C@@H]2OC[C@H](CO)[C@@H]2O)c(=O)[nH]c1=O	0
CC[N+](C)(CC)CC[N+]1(C)CCCCCC1	2
COc1ccc(OC)c(N2C(=O)C[C@H](Cc3ccc(C)cc3)C2=O)c1	0
O=c1[nH]c(=O)c2nc(Br)n([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c2[nH]1	0
CC1(C)N=C(Nc2ccc(Cl)cc2)NC(=[NH2+])N1	1
O=C(N[C@@H]1CCc2ccccc2C1)c1ccncc1	0
CC[NH+](CC)CCNc1ncnc2sc3c(c12)CCCC3	1
COC(=O)N=c1[nH]cc(C[NH+]2CCCC2)s1	1
COc1ccc2ccc3c(c2c1)C[C@@H](NC(C)=O)CO3	0
CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)Cc3ccc(N4CCCCC4)cc3)cc2)CC1	2
NC(=O)C(CCN1CC[N@H+]2CCC[C@H]2C1)(c1ccccc1)c1ccccc1	1
O=C([C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CC[NH2+]CC1	2
C[NH+]1CCN(C(=S)c2c[nH]c3ccccc23)CC1	1
C[NH+]1[C@H]2CC[C@@H]1CC(NC1C[C@@H]3CC[C@H](C1)[N@H+]3C)C2	2
O=C1c2ccccc2C(=O)N1C[C@@H]1C[NH2+]CCO1	1
C[C@@H](C[NH+]1CCC(C(N)=O)CC1)c1ccccc1	1
CCOc1cc(C(=O)NCC[NH+](C)C)cc(OCC)c1OCC	1
Nc1noc([C@H]2C[NH+]3CCC2CC3)n1	1
CC1(C)OC(=O)N(CCN2C(=O)OC(C)(C)[C@@]2(C)O)[C@]1(C)O	0
CNC(=O)NC[C@@H]1CN(C(=O)C(=O)NC[C@@H](OC)[C@@H]2CCOC2)CCO1	0
CC(C)=CC(=O)[N-]S(=O)(=O)c1ccc(N)cc1	-1
COc1ccc(S(=O)(=O)[N-]c2cc(OC)c(NC(=O)c3ccccc3)cc2OC)cc1	-1
O=C([O-])CNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2	-1
O=[N+]([O-])c1cccc(/N=C/c2cccc([O-])c2O)c1	-1
Cc1ccc([C@@H]2[C@H]3C[N@@H+](C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1	1
Cc1ccc(C(=O)c2sc3[nH]c(=O)c(C(=O)[O-])cc3c2N)cc1	-1
CCOC(=O)c1cccc(NC(=O)CCc2ccccc2)c1	0
COc1ccc([C@@H]2Sc3ccccc3NC(=O)[C@H]2OC(=O)CN2CC[NH+](C)CC2)cc1	1
CNC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	0
CN(C)c1cc(NC(=O)C[N@@H+](C)Cc2ccccc2)c2ccccc2n1	1
CN1CCc2c(C#N)c(NCC[NH+](C)C)n3cnnc3c2C1	1
COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)CC1	2
Cc1cnc2c(NCC[NH+]3CCCCC3)nc3cc4ccccc4cc3n12	1
C[NH+](C)CCn1c(C(=O)Nc2ccccc2)cc2ccccc21	1
COCC[NH+]1CCN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)CC1	1
Cc1ccc(NC(=O)CNC2=[NH+]C(C)(C)Cc3ccccc32)cc1	1
CCC(CC)Sc1nc2cc(N3CC[NH2+]CC3)c(Cl)cc2[nH]1	1
C[C@@H](Oc1cncc(N2CC[NH2+]CC2)n1)c1cccc(F)c1	1
C[NH+](C)CC#CC1(O)CCCCC1	1
CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CC[NH2+]CC1	1
CC[NH+]1CCN(c2nnc(-c3ccc(C)cc3)c3ccccc23)CC1	1
CC(C)(CNC(=O)[C@@H]1CCC[NH2+]1)[NH+]1CCCCC1	2
Cc1sc2ncn(CC(=O)NCC[NH+](C)C)c(=O)c2c1C	1
Cc1cc(C)[n+]2cc(Br)ccc2n1	1
CCC[C@@]1(c2cccc(O)c2)CC[N@@H+](C)C[C@H]1C	1
NNc1[nH+]nc(Cc2ccncc2)c2ccccc12	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
CC[C@]12CCC[N@H+]3CC[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32	1
CC1(C)C=CN(C(=O)Nc2ccccc2)C=C1	0
COc1ccc(C2(C[NH3+])CCOCC2)cc1OC	1
Cn1c([C@@H](O)c2ccccc2)[n+](C)c2ccccc21	1
Cn1cc(S(=O)(=O)NCC(=O)Nc2nc(N3CC[NH2+]CC3)n[nH]2)cn1	1
Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[N@@H+]1C	1
COc1ccc2[nH]cc(CC[NH3+])c2c1[N+](=O)[O-]	1
Cc1ccc(-c2cn(N)c(N)[nH+]2)cc1	1
CC(C)(C)OC(=O)N1CC[NH2+]CC1	1
CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1C[NH3+]	1
COCC(COC)[NH+]1CCN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC1	1
C[NH+](C)CCC(=O)c1ccccc1	1
Cc1ccc(N2CCN(S(=O)(=O)N(C)C)CC2)cc1Cl	0
O=C1CCC(=O)N1OC[C@@H]1CCC[N@H+]2CCCC[C@H]12	1
O=C(c1ccc(=O)[nH]n1)N1CC[NH+](Cc2ccccc2)CC1	1
Cc1cc(C)[n+]2c(-c3ccccc3)csc2n1	1
O=C(NCc1ccccn1)C1CC[NH+](C2CC[NH+](C[C@@H]3CC=CCC3)CC2)CC1	2
CC[NH+](CC)CCNc1ncc2c(c1C#N)Nc1ccccc1C2	1
Cc1cccc(C)c1NC(=O)[C@@H]1CCC[NH2+]C1	1
CC(=O)n1ccc(C(=O)Nc2nccs2)n1	0
CC[NH+](CC)c1ccc(NCN2C(=O)c3ccccc3C2=O)c(C)c1	1
CN(C)c1ccc(/C=[NH+]/C2=NN(c3ccccc3)CC2)cc1	1
c1ccc(C2CC2)c(OCC2=[NH+]CCN2)c1	1
NC(=[NH2+])S[C@@H](C[NH+]1CCCCC1)C(F)(F)F	2
C[n+]1cccc(NC(=O)NC(=O)c2ccc[n+](C)c2)c1	2
C[NH+](C)CCN(Cc1ccsc1)c1ccccn1	1
C=CCc1ccc(OCCn2cc(C=C3C(=O)[N-]C(=S)NC3=O)c3ccccc32)c(OC)c1	-1
C[NH+]1CCN(C(=O)N2CCOCC2)CC1	1
Cc1cc(C)cc(N2C(=[NH2+])NC(=[NH2+])N[C@@H]2c2cccc(Cl)c2)c1	2
COc1cc([C@@H]2[NH2+]CCc3c2[nH]c2ccccc32)ccc1O	1
Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(CC(N)=O)c3ccccc32)cc1	0
C[NH+](C)[C@H]1CN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)C[C@@H]1O	1
C[NH+](C)CC(=O)N1c2ccccc2CCc2ccc(NC(=O)c3ccccc3)cc21	1
Oc1ccc2[nH]cc([C@H]3C[NH+]4CCC3CC4)c2c1	1
Cc1[nH]c2ccc(F)cc2c1SC1CC[NH2+]CC1	1
CC[n+]1cc(N)nc(-c2ccc(Br)cc2)n1	1
O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)C(=O)N[C@H]1CC[NH2+]C1	1
COC(=O)Cn1c([C@@H](O)c2ccccc2)nc2ccccc21	0
C[NH+]1CCC([NH2+]C[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCOCC2)CC1	2
COC(=O)c1sccc1NC(=O)/C=C/C(=O)[O-]	-1
COc1ccc(CCNC2=[NH+]CCN2)cc1OC	1
O[C@H](Cn1c2ccccc2c2ccccc21)C[n+]1ccccc1	1
c1cc2c(cc1CCNC1=[NH+]CCN1)OCO2	1
COC(=O)c1ccc(/C=N/NC(N)=S)n1-c1ccc(F)cc1	0
CCCC(=O)NOCc1cccc2ccc(OC)cc12	0
O=C(C[NH+]1CCCC1)NCC1(c2ccccc2)CCCC1	1
Cc1[nH]c2ccccc2c1CC[NH3+]	1
CC1(C)[C@@H]2CC[C@@]1(C)C[N@@H+](CCC[N+](C)(C)C)C2	2
Cc1cc(-c2ccccc2)n(-c2cc(N3CC[NH+](C)CC3)ncn2)n1	1
C#CC[N+]1(C)[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2	1
C[N+](C)(C)CN1C(=O)c2ccccc2C1=O	1
CN(C)C(=O)N1CCC(C(=O)NCC[NH+]2CCCC2)CC1	1
CCc1n(C)c2ccccc2[n+]1C[C@H](O)COc1cccc(C)c1	1
CCn1c(=O)c2nc[nH]c2n(CC)c1=O	0
C[N@H+]1CC[C@@H](COC(=O)C(O)(c2ccccc2)c2ccccc2)C1	1
CCC(=O)O[C@]1(c2ccccc2)C[C@@H](C)[N@@H+](C)C[C@@H]1C	1
COc1ccc(C[N@@H+](C)CCc2ccccn2)cc1	1
COc1cc2c(cc1OC)-c1c(C)c3ccc(OC)c(OC)c3c[n+]1CC2	1
c1ccc(Nc2c3c([nH+]c4ccccc24)CCC3)cc1	1
COc1ccc([C@@H]2NC(=O)c3ccccc3O2)cc1OC	0
CC[NH+]1CCN(c2cc(=O)n(-c3ccc(OC)cc3)c(=O)[nH]2)CC1	1
CC1(C)CC(NC(=O)c2cccc(F)c2)CC(C)(C)[NH2+]1	1
COc1c2n(c3ccc(F)cc13)CC[NH2+]C2	1
COc1ccc(NC2CC[NH+](CCc3ccccc3)CC2)c(OC)c1	1
CCOC(=O)C1CCN(C2CC[NH+](C)CC2)CC1	1
COC(=O)[C@H](C)C[NH2+]Cc1ccccc1	1
c1ccc2c(CC[NH2+]C3CCCCC3)c[nH]c2c1	1
O=c1[nH]c2ccc(C#CC[NH+]3CCC(Cc4ccccc4)CC3)cc2[nH]1	1
CC[NH+](CC)Cc1cc(NC2=NS(=O)(=O)c3ccccc32)ccc1OC(=O)c1ccccc1	1
COc1ccc(-c2cc(C#N)nc(N3CC[NH+](C)CC3)n2)cc1	1
c1ccc(CCC2CC[NH+](Cc3c[nH]c4ncccc34)CC2)cc1	1
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCOCC1	0
Cc1cc(Br)ccc1NC(=[NH2+])NC(N)=[NH2+]	2
NC(=[NH2+])N[C@H]1C[C@@H](NC(N)=[NH2+])[C@H](Oc2ccccn2)C[C@@H]1Oc1ccccn1	2
N#Cc1cc[n+](Cc2ccc([N+](=O)[O-])cc2)cc1	1
CC[N+](C)(C)Cc1ccccc1Br	1
Fc1ccc(C[N@H+]2CCCN(C(=S)NC3CCCCC3)CC2)cc1	1
Cc1csc2c(=O)n(CC[NH+]3CCSCC3)c(=O)[nH]c12	1
CCn1c(C)[n+](CC)c2cc(S(N)(=O)=O)ccc21	1
C[C@@H](CS(=O)(=O)c1ccccc1)[NH+]1CCCCC1	1
CC[C@@]1(C)Cc2ccccc2C2=[N+]1CCS2	1
CC(C)CNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1	2
CC(C)(C)NC(=S)NC1CC[NH+](Cc2ccccc2)CC1	1
O=C(NCc1ccc2c(c1)OCO2)c1cc2ccccc2o1	0
COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2OC)cc(OC)c1OC	1
Br[C@@]12CCCC[C@@H]1C[NH2+]CC2	1
CC(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1	0
CN(/N=C/c1ccncc1)C1=[NH+]CCN1	1
O=C(OCc1ccccc1)N1CCC[NH2+]CC1	1
COC(=O)[C@H]1C[N@@H+](C)CC[C@]1(C)OC(=O)Oc1ccccc1	1
CC1CC[NH+](C2CCN(CCc3ccccc3)CC2)CC1	1
COc1ccc(C[N@H+]2CCC[C@@H](O)C2)c(OC)c1	1
c1ccc(C[N@H+]2Cc3ccc(N4CC[NH2+]CC4)cc3C2)cc1	2
CC(=O)N1c2ccccc2[C@@H](Nc2ccccc2)C[C@H]1C	0
CN(C)c1ccc(C(=[NH2+])c2ccc(N(C)C)cc2)cc1	1
COCC[N@@H+](C)CCNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1	2
CC[NH+]1CCN(C(=O)c2ccc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)cc2)CC1	1
C[NH+](C)CCNc1c2c([nH+]c3ccccc13)CCC2	2
Cc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@@H]2CCCO2)cc1	0
N=C(NC(N)=[NH2+])Nc1nc(-c2ccccc2)cs1	1
COc1ccc(Cc2c(Cl)nc(SC)[nH+]c2NN)cc1	1
COc1cc2c(cc1OC)C(=[NH+]N)NC(C)(C)C2	1
CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1	0
CC[NH+](CC)C[C@@H](O)CN1C(=O)NC(C)(C)C1=O	1
Cc1ccc(C[N@H+](C)C2CCN(C)CC2)o1	1
C[C@@H]1CCC[C@@H]([NH+]2CCN(C(=O)c3ccncc3)CC2)C1	1
Cn1cc([C@@H](CN2C(=O)c3ccccc3C2=O)[NH+](C)C)c2ccccc21	1
Clc1ccc(N2C[C@@H]3CC[NH2+]C[C@@H]32)cn1	1
CN1c2ccccc2CNc2cncnc21	0
O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC[C@@H]1CCCO1	0
CNS(=O)(=O)Cc1ccc2[nH]cc(CC[NH+](C)C)c2c1	1
CCOC(=O)c1nc(Nc2ccc(C(=O)[O-])cc2)c2ccccc2n1	-1
CCN1C(=Cc2cccc[n+]2C)C=Cc2ccccc21	1
Nc1nc(=O)n([C@H]2CC[C@@H](CO)O2)cc1Br	0
COc1cc(CNc2[nH+]c3ccccc3n2C)cc(OC)c1OC	1
Fc1ccccc1N1CC[NH2+]CC1	1
COc1ccc2ccccc2c1C[NH+]1CCSCC1	1
CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCC[NH+](C)C)[NH+](C)C)cc1	2
NC(=O)CN1CCN(c2cncc(N3CCN(CC(N)=O)CC3)n2)CC1	0
Oc1ccc2c(c1)OC[C@H]([NH+]1CCC(O)(c3ccc(F)cc3)CC1)[C@@H]2O	1
CN(CC(=O)N(CC(N)=O)CC(N)=O)S(=O)(=O)c1ccc(C#N)cc1	0
O=S1(=O)c2cccc3cccc(c23)N1CCC[NH+]1CCN(c2ccc(F)cc2)CC1	1
C[NH+](C)CCNc1c(N)c(=O)oc2ccccc12	1
CCOC(=O)[C@@H]1CCC[N@@H+](C)C1	1
COc1ccc([C@H](c2c(C)[nH]c3ccccc23)[NH+]2CCC(C)CC2)cc1	1
C[NH2+][C@H]1CCc2[nH]c3ccc(C(N)=O)cc3c2C1	1
C[NH2+][C@@]12CC=CC[C@H]1COc1ccccc12	1
Cc1ccccc1N1CC[NH2+]CC1	1
O=C1CC[C@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@@H]2C(=O)[O-])N1	-1
Cc1cc2nsnc2c(S(=O)(=O)NCC(=O)[O-])c1C	-1
Cc1ccc(N2CC[NH2+]CC2)cc1C	1
O=c1c(/C=N/NC(=S)NCc2ccco2)coc2ccccc12	0
O=C([O-])CNC(=O)c1nc(Cl)c2ccccc2c1O	-1
CNS(=O)(=O)CCc1ccc2[nH]cc(C3CC[NH+](C)CC3)c2c1	1
O=S(=O)([N-]c1ncccn1)c1ccc(-n2cnnn2)cc1	-1
C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)CNC(=O)CN)CC2)C[C@@H](C)O1	0
C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1	2
CNc1nc(NC(C)(C)C)[nH+]c(NC(C)(C)C)n1	1
C[NH+]1CCC([NH+]2CCC(Cc3ccccc3)CC2)CC1	2
COc1ccc([N+]2=C3CCCCN3[C@@](O)(c3ccccc3)C2)cc1	1
Cc1ccccc1OC[C@H](O)C[N@@H+]1CC=CCC1	1
CC[C@@]1(O)CC[N@H+]2CCc3ccc(C)cc3[C@@H]2C1	1
CC1=CC(=O)O[C@@]2(C1)C[C@H]1CC[C@@H]2C[N@@H+]1C	1
CS(=O)(=O)N1CCN(S(=O)(=O)NCCC[NH+]2CCC(O)CC2)CC1	1
CN(CC(=O)NCCC(=O)Nc1nnc(S(N)(=O)=O)s1)C(N)=[NH2+]	1
CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN(C(=O)[C@H]([NH3+])Cc2ccc(F)cc2)[C@@H](CC[NH3+])C1=O	2
C[NH+](C)CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1	2
O=c1c(C[C@@H]2CCCO2)c(O)n2n1-c1ccccc1-c1ccccc1-2	0
Cc1cccc(S(=O)(=O)N(C)[C@H](C)CC[NH+]2CCC(C)CC2)c1	1
COCC[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1	2
NC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc(F)cc1	1
NS(=O)(=O)c1ccc2c(c1)Cc1cc(S(N)(=O)=O)ccc1-2	0
CC[NH+]1CCN(C(=O)NC2CCCCC2)CC1	1
N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)NC[C@@H]1CCCO1	0
[NH2+]=C(NCCN1CC[NH+](Cc2ccccc2)CC1)NC[C@@H]1CCCO1	2
O[C@@]12Oc3ccccc3C=C1[NH+]1CCC2CC1	1
CN(N)C(=[NH2+])NCc1ccccc1	1
NC1=[NH+][C@@H]2CCCC[C@@H]2CS1	1
O=C(CN1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CCNC1=O	0
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1	-1
Nc1cc(N)[nH+]c(SCC(=O)Nc2ccccn2)n1	1
O=C(c1ccco1)N(c1cccnc1)C1CC[NH+](CCc2ccccc2)CC1	1
C[N+]1(Cc2cc(=O)[nH]c(=O)[nH]2)CCc2[nH]c3ccccc3c2C1	1
C[C@@]12[NH2+]CCN1C(=O)OC21CCCCC1	1
COc1ccc(C(=O)Nc2ccccc2C(C)C)cc1OC	0
CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CCO1	0
C[NH+](C)C[C@@H]1CC2(C[C@@H](C[NH+](C)C)C1=O)OCCO2	2
C[C@H](C(=O)[O-])c1ccc([C@H]2CCC/C(=N/O)C2)cc1	-1
C[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccccc2)C1	1
CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(N2CCCC2=O)cc1	1
CCC[N@@H+](CCO)Cc1ccc(Br)s1	1
COc1ccc(CCC(=O)Nc2cc(C)c(O)c(C)c2)cc1	0
COc1ccccc1[C@@H](CC[NH3+])c1ccco1	1
C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(C(C)(C)C(N)=O)CC1	2
CS(=O)(=O)N1CCN(S(=O)(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1	1
CC[C@@H](C)[C@@H](C(=O)OC1CC[NH+](C)CC1)c1ccccc1	1
C[N+](C)(C)/C=C/C(=O)c1ccccc1	1
CC[NH+]1CCN(c2ccc(NC(=O)C(C)C)cc2Cl)CC1	1
CCN1CCC([NH2+]Cc2cccc(F)c2)CC1	1
CC(=O)Oc1ccc(C(=O)NC2CCCC2)cc1	0
CN1CCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C1	1
COc1c(C)cccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1	1
C[NH+](C)CCOC(c1ccccc1)c1ccccc1	1
CNC(=O)c1cc(S(=O)(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)cn1C	0
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)[O-])cc2)n1	-1
Cc1cc(N2CC[NH+](C)CC2)nc2ccccc12	1
COC(=O)c1cc(Br)c(=O)n(CC[NH+]2CCCCC2)c1	1
C[NH+]1CCC([NH+]2CCC(CN(Cc3ccncc3)C(=O)c3ccccc3)CC2)CC1	2
CNC(=O)C[C@@]1(O)CCCN(C(=O)C(=O)NCCC[N@@H+](C)CCOC)C1	1
CN(/N=C/c1cccc(O)c1)C1=NS(=O)(=O)c2ccccc21	0
C[N@H+]1CCN(C(=O)C2CC[NH2+]CC2)[C@@H](c2ccccc2)C1	2
O[C@@](C1=[NH+]CCN1)(c1ccc(Cl)cc1)c1ccccn1	1
c1cnc(N2CC[NH+](CCNc3ccc4ccccc4n3)CC2)nc1	1
COc1ccc(S(=O)(=O)NCCC(=O)N2CCOCC2)cc1	0
CC(C)(C)NC(=O)CSc1nc(N)cc(N)[nH+]1	1
COCC[N@H+](C)CCCNC(=O)N1CCO[C@@H](CN2CC[NH+](C)CC2)C1	2
CCn1nnc(C2=CCC[N@@H+](C)C2)n1	1
Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CC[NH2+]CC2)n1	1
C[NH+]1CCN(C[C@@H]2C[NH2+]C[C@H](C(=O)NCCc3ccccc3)C2)CC1	2
CC(C)[NH+]1CCC(N(C(=O)Cc2ccccc2)c2ccc(Cl)cc2)CC1	1
CC[C@H](C)Nc1ccc(N[C@@H](C)CC)cc1	0
C=CCn1c(SC)nnc1-c1ccc(OC)c(OC)c1	0
COc1cccc(-c2cn(-c3ccc(CC[NH+]4CCC(O)CC4)cc3)c3nc[nH+]c(N)c23)c1	2
C[NH+]1CCC([N@@H+](C)C[C@@]2(O)CCCN(CC3CCCCC3)C2=O)CC1	2
Cc1c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)oc2ccc(F)cc12	-1
O=C(NCC1CC[NH2+]CC1)Nc1nc2ccccc2s1	1
C[NH+]1CCN(c2nc(N)c(C#N)c(CC#N)c2C#N)CC1	1
O=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)c1cccs1	0
CC1(C)CC(NS(=O)(=O)c2ccccc2)CC(C)(C)[NH2+]1	1
COc1cccc(NC(=O)N(CC[NH+](C)C)[C@@H](C)c2cccnc2)c1	1
O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1CC[NH2+]CC1	2
CC(C)NC(=O)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CN1C(C)C	2
O=C1c2cccc3c(N4CC[NH2+]CC4)ccc(c23)C(=O)N1n1cnnc1	1
CC[NH+](CC)CCn1c2ccccc2n2nc(C)c(C(C)=O)c12	1
Cn1c[n+](NC(=O)c2ccc(-c3ccc(C(=O)N[n+]4cnn(C)c4)cc3)cc2)cn1	2
C[NH+]1CCN(c2ccc(N)cn2)CC1	1
CCOc1cc(C(=O)N2CC[NH+](C)CC2)cc(OCC)c1OCC	1
COCC[NH+]1CCC(C[N@H+](Cc2ccncc2)Cc2c[nH]nc2-c2cccc(F)c2)CC1	2
C[NH+](C)CCOC1CCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)CC1	2
CNC(=O)Cn1[nH]c(=NC(=O)N2CC(N3CC[C@@H](O)C3)C2)cc1C	0
COc1ccc(C)cc1NC(=O)CNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C)C2	2
COc1cc2c(cc1OC)C[N@@H+](Cc1ccsc1)CC2	1
CC(=O)Oc1cc(C(F)(F)F)ccc1C(=O)[O-]	-1
O=[N+]([O-])c1ccc([C@@H](O)C[n+]2ccccc2)cc1	1
Cc1ccc2c(c1)c1c(n2C)CC[N+](C)(C)C1	1
CC[NH+](CC)CCNc1ncnc2ccc(Br)cc12	1
C[NH+](C)[C@@]1(CNC(=O)C(=O)N2CCC[C@@](O)(CC(N)=O)C2)CCSC1	1
Clc1ccc(CC[NH2+]C2CCN(Cc3ccccc3)CC2)cc1	1
[NH3+]CCC(=O)OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12	2
O=C1NCCN1C(=O)Nc1c(Cl)cccc1Cl	0
O=C1NCCN1C(=O)Nc1ccc(Cl)cc1Cl	0
CCC[C@H]1CCc2c(sc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)c2C(N)=O)C1	-1
C[N+]12CCCC[C@@H]1[C@H](CO)CCC2	1
C[N+]1(CCNC2=CC(=O)C(NCC[N+]3(C)CCOCC3)=CC2=O)CCOCC1	2
O=[N+](Cc1ccc(OC(F)F)cc1)c1ccccc1	1
OC[C@@H]1CCC[N@H+](C2CCCCCC2)C1	1
COc1ccc(N2C(=O)C[C@H]([NH2+]C[C@@H]3CCCO3)C2=O)cc1	1
NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)CSCC(=O)[O-])CC1	0
Fc1ccc(Sc2c(F)c(F)nc(N3CC[NH2+]CC3)c2F)cc1	1
CCn1c[n+](C[C@@H](O)COc2ccc(F)cc2)c2cc(C)c(C)cc21	1
O=C(c1scc2c1CCCC2)N1CCN(c2ccc(O)cc2)CC1	0
CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C\c3ccc(OC)c(Br)c3)C2=O)cc1	-1
C[NH+](C)CCNc1ncnc2scc(-c3ccccc3)c12	1
CCOc1ccc(NC(=O)C[C@@H]2SCCNC2=O)cc1	0
CC(C)C[NH+]1CCO[C@@H](CNC(=O)c2ccc(C(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)cc2)C1	2
O=C1CNC(=S)N1CCc1cnc[nH]1	0
CCOc1cc(C[NH3+])c(-n2cccc2)cc1OCC	1
COc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCC[N@@H+](C)CC3)ccc2N2CC[NH2+]CC2)cc1OC	2
CC(C)[C@H](NC(=O)CS)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O	1
NNc1[nH+]cnc2c1cnn2Cc1ccccc1	1
COc1ccc(OC[C@@H](O)C[NH2+]C(C)C)cc1	1
O[C@H](CO/N=C(\Cl)c1cccnc1)C[NH+]1CCCCC1	1
CN(C)c1ccc(C[NH+]2CCSCC2)cc1	1
Cc1cc(N2CCN(C(=O)c3ccccc3)CC2)ncn1	0
CS(=O)(=O)c1cc(F)ccc1N1CC[NH2+]CC1	1
[NH2+]=C1SCCN1CC(=O)c1ccccc1	1
NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1	0
Cc1ccc(-c2cn3cc(C)ccc3n2)cc1	0
COC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1O	0
COc1ccc(C2=[N+](C)CCn3cccc32)c(OC)c1	1
COc1ccc(CCN(C)C(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1OC	1
O=C(c1ccc(Br)o1)N1CCN(c2ccccc2)CC1	0
CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2NC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)C1	1
c1ccc(C[NH+]2CCN(c3ncnc4ccccc34)CC2)cc1	1
OCCN1CCOCCOCCN(CCO)CC[NH+](CCO)CC1	1
CC[N@@H+](CCO)CCNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C	1
COc1ccc2c(c1OC)C(=O)N(c1cccc(NC(C)=O)c1)C2	0
CC(=O)N[C@@H](CCCNC(N)=N[N+](=O)[O-])C(=O)N[C@@H](CC[NH3+])C(N)=O	1
CCOc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)[O-]	-1
C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1	2
C[NH+]1CCN(Cc2ccc([N+](=O)[O-])o2)CC1	1
CCC[C@@H]([NH3+])C(=O)N1CCN(CC)CC1	1
CC(C)NC(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2CN1CCN(c2ccccn2)CC1	1
C[N+]1(CC(=O)OCCCOC(=O)C[N+]2(C)CCCC2)CCCC1	2
CN(C)c1ccc(C(=O)N2NC(C(F)F)=C[C@@]2(O)C(F)F)cc1	0
N#Cc1ccccc1NC(=O)Cc1ccc(Cl)cc1	0
CC[C@@H](C)[NH2+]Cc1ccc(C(=O)NC)o1	1
CCOC(=O)c1c(C2CC2)csc1N	0
COc1cncc(N2[C@H]3CC[C@@H]2CC[NH2+]C3)c1	1
COC(=O)[C@@H](C)c1ccc(-c2ccsc2)cc1	0
CC[C@@H](C)NC(=O)C1CC[NH+](Cc2cccc(OC)c2O)CC1	1
CN(C(=O)CCC[NH3+])[C@H]1CC[C@@](O)(Cn2cnc3c(N)nc(N)nc32)[C@H](O)C1	1
Clc1ccc(N2CC[NH+](C3CCN(Cc4ccccc4)CC3)CC2)cc1	1
C[C@H]([NH2+]C[C@@H](O)COc1ccccc1)[C@@H]1COc2ccccc2O1	1
Fc1ccc(OC[C@H]2CC[C@@H]3CN(c4ncc(F)cn4)CC[N@H+]3C2)cc1	1
NNc1[nH+]cnc2ccsc12	1
CC(=O)OCCn1c(C)[n+](CCOC(C)=O)c2cc(Cl)c(Cl)cc21	1
C[N@H+]1CCC[C@@H](OC(=O)C(c2ccccc2)c2ccccc2)C1	1
O=C(Nc1nccs1)c1ccc(NC(=O)C(F)(F)F)cc1	0
CN(C)c1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1	2
CC(=O)N1CCC([NH2+][C@@H]2CCCc3ccccc32)CC1	1
O=[N+](Cc1ccc(F)cc1)c1ccccc1	1
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC(=O)N(Cc2ccccc2)C1	0
COC(=O)c1cc(C[N+](C)(C)C[C@@H](O)CO)c(Cl)cc1Cl	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
CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CC1	1
NNc1[nH+]c(-c2ccncc2)nc2ccccc12	1
CC1CC[NH+](C[C@@H](O)CN2c3ccccc3Sc3ccccc32)CC1	1
CC(C)C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)[O-]	-1
Cc1n(C)c2ccccc2[n+]1C[C@@H](O)COc1ccc(F)cc1	1
CCc1cc2c(C)cc(=O)oc2c(C[NH+](CC)CC)c1O	1
COc1ccc(CCN2C(=O)OC(C)(C)[C@@]2(C)O)cc1OC	0
CN(C)c1nc([N-]S(=O)(=O)c2ccc(Cl)cc2)nc(N(C)C)n1	-1
Nc1ccc(C2N=NC(=S)Cc3cc4c(cc32)OCO4)cc1	0
CC[N@@H+](CCNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])CCC(F)(F)F	2
Fc1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1	0
c1ccc(COc2ccnc(N3CC[NH2+]CC3)n2)cc1	1
CCN(C(=O)c1ccc(OC)c(OC)c1)c1ccccc1C	0
Cc1ccc([C@@H]2SCC(=O)N2CC[NH+]2CCCCC2)cc1	1
C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCC([NH+]5CCCCC5)CC4)[C@H]3[C@@H](O)[C@@]21C	2
O=c1sc2ccccc2n1C[C@@H](O)C[n+]1ccccc1	1
O=C(NN1CCCCC1)C1CC[NH2+]CC1	1
CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC2CC[NH+](C)CC2)CC1	2
O=C(NC[C@@H]1CCCO1)C1CC[NH+](Cc2ccccc2O)CC1	1
Cc1cc(N(C)C)c(C#N)c(N2CCCCC2)[nH+]1	1
Cc1n(CCO)c2cc(Cl)c(Cl)cc2[n+]1CCO	1
COc1cc(C[NH2+]C2Cc3ccccc3C2)ccc1OC[C@@H](O)C[NH+]1CCCC1	2
COc1c2c(cc3c1OCO3)CC[N+](C)=C2	1
COc1ccc(C(C)=O)cc1C[NH+](C)C	1
COc1cc(C(=O)NCc2ccc(C)[nH+]c2N)cc(OC)c1OC	1
Nc1cc(N)[nH+]c(SCc2noc(-c3ccc(Cl)cc3)n2)n1	1
C[C@@H]1C[C@@H](C[C@@H]2CCCC[NH2+]2)[C@H]2CCC[NH2+][C@@H]2C1	2
CNC(=O)CCOC1CC[NH+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1	2
C[NH+](C)CCCc1cc(C(=O)Nc2ccc(-c3ccncc3)cc2)ccc1O	1
Cc1cc2c(c(Sc3ccc(C(C)(C)C)cc3)n1)C(=O)OC2	0
COc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@@H](c1ccc(N(C)C)cc1)N1NC=NC1=[NH+]2	1
CCc1ccc(C)[n+](CC#CC[n+]2cc(CC)ccc2C)c1	2
CC1(C)C[C@@](CC[NH3+])(c2ccc(F)cc2)CCO1	1
C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCN(CC(=O)N(C)C)CC1	2
C[NH+]1CCN(c2ncc(C#N)c(N)n2)CC1	1
COc1cccc(NC(=S)N(C)C2CC[NH+](C)CC2)c1	1
CCOC(=O)c1ccccc1OC(N)=O	0
CCC[NH+]1CCC(N2C[C@@H]([NH2+]Cc3cccc(C)c3)C[C@H]2C(=O)NCC)CC1	2
CCC(=O)c1c(-c2ccccc2)nc2n(CC[NH+](CC)CC)c3ccccc3n12	1
CCOC(=O)c1ccc(NC(=O)COc2ccccc2C)cc1	0
C[n+]1ccccc1/C=C1\Sc2ccccc2N1CCO	1
Nc1ncnc2c1ncn2CC[NH+]1CCCCC1	1
CCc1ccccc1N1CC[NH+](CCc2cc(OC)c(OC)c(OC)c2)CC1	1
OC1C[NH+](C(c2ccccc2)c2ccccc2)C1	1
COC(=O)c1c[nH]nc1S(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1	2
[NH2+]=C1NC[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=[NH2+])N1	2
Cn1c(=O)[nH]c2cc3nn[nH]c3cc21	0
CC1(C)CC2(CC(C)(C)[NH2+]1)OC(=O)N(Cc1ccccn1)[C@@]2(C)O	1
C[NH+](C)CCNC(=O)CN1C(=O)CSc2ccccc21	1
COC(=O)c1cc(N2CC[NH2+]CC2)nc2ccccc12	1
O=C1Nc2ccccc2/C1=c1/sc2n(c1=O)CCCN=2	0
COc1ccc(CCN2C(=O)[N-]C(=O)/C(=C\c3c(C)[nH]c4ccccc34)C2=O)cc1OC	-1
Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCNS(C)(=O)=O	0
O[C@@H](C[NH2+]Cc1ccccc1C(F)(F)F)C(F)(F)F	1
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@H]([N@@H+](C)Cc1ccccc1O)CC2	1
CC1(C)CC([NH2+]C[C@@H](O)COCc2ccco2)CC(C)(C)[NH2+]1	2
CC1(C)C=Cc2c([nH+]c3ccccc3c2N)C1	1
COc1ccc(NC(=S)N2CCC[N@H+](C(C)C)C2)cc1Cl	1
NC(=[NH2+])SCCC(=O)NCNC(=O)CCSC(N)=[NH2+]	2
O=c1n(CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12	1
Cc1nc(N2CC[NH2+]CC2)nc2c1CCCC2	1
CCOC(=O)C1=C(C[NH+](CC)CC)N(C)C(=O)N[C@@H]1c1ccccc1	1
COc1cccc(NC(=O)N2CCC([N@@H+](C)C(C)C)CC2)c1	1
COc1cc([S@@](C)=O)sc1-c1nc2cc[nH]cc-2n1	0
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(C)c(C)c3)cc2)nc(C)n1	-1
CC[NH+](CC)CCn1nc2c3ccccc3sc3c(C[NH3+])ccc1c32	2
Cc1cc(C)c2c(N)c(C3=[NH+]C(C)(C)Cc4ccccc43)sc2n1	1
CC(C)[N@@H+](C)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	1
Cn1cc(C(=O)NC2CC[NH+](C)CC2)c(C(=O)NC2CC[NH+](C)CC2)n1	2
C=CC[C@H](Cc1cc(OC)c(OC)c(OC)c1)[NH2+]C	1
O=C(CCn1c(=S)[n-]c2cc3c(cc2c1=O)OCO3)NC1CC1	-1
Cc1nc2n(c(=O)c1CC[NH+]1CCC(c3noc4cc(F)ccc34)CC1)CCCC2	1
O=C([O-])CC1(CC(=O)Nc2ccccc2-n2cccn2)CCCCC1	-1
O=C(CN1N=C(c2ccccc2)CCC1=O)NCC[NH+]1CCCC1	1
COc1ccccc1NC(=O)Cc1c([O-])[nH]c2ccccc2c1=O	-1
CN(C)c1nc2ccc(OCC[NH+]3CCCCC3)cc2s1	1
[NH2+]=C1Cc2ccccc2CN1c1cccc([N+](=O)[O-])c1	1
Cc1ccc(/C=N/N(C)C2=[NH+]CCN2)o1	1
CN(C)S(=O)(=O)N1CC(NC(=O)C(=O)Nc2cn(C)nc2C2CC2)C1	0
O=C1Cc2cc(CC[NH+]3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1	1
CCOc1ccc(N2C(=O)C[C@H]([NH2+]CCc3ccccn3)C2=O)cc1	1
CC[NH+](CC)CCOc1ccccc1O/C(=C/c1ccccc1)C(C)=O	1
O=C(COc1ccccc1)N1CCN(C(=O)c2ccccc2F)CC1	0
CN1C(=O)CC2(CC[NH+](CCCC(=O)c3ccc(F)cc3)CC2)C1=O	1
CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CNS(=O)(=O)c1cccnc1	0
C[N+](C)(C)CCC[n+]1ccccc1CCc1cccc2ccccc12	2
C[NH+]1CCN(NC(=O)c2sc3ccccc3c2Cl)CC1	1
Cc1cc(C)nc(NC(=N)N2CCCc3ccccc32)n1	0
N#C[C@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H]([NH3+])C1(CO)CCC1	1
COc1ccc2[nH]c(C)c(C(=O)C[NH+](C)C)c2c1	1
Cc1cc(C)n(-c2cc(N(C)C)[nH+]c(C)n2)n1	1
O=C([O-])[C@H]1CN[C@H](c2cccc(O)c2O)S1	-1
C[NH2+][C@@]1(C)[C@H](C(C)C)CC[C@]1(C)O	1
CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1	1
N#Cc1c2c(c(-n3ccnc3)n3c1nc1ccccc13)CCCC2	0
Cn1c(=O)c2c(ncn2C[C@@H](O)CNC2=[NH+]CCCC2)n(C)c1=O	1
NC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1	0
C[NH+](C)CCSC(=O)N1c2ccccc2C(C)(C)c2ccccc21	1
C[NH+](C)CCNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1	1
CC[C@@H](C)Oc1c(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cccc1OC	-1
CCOC(=O)CC1=CN2CCN=C2S1	0
O=C(NCc1ccccc1)c1cccn(Cc2ccccc2)c1=O	0
C[N@H+]1[C@H]2CC[C@@H]1CC(NC(=O)c1ccc(Cl)cc1)C2	1
Nc1ccc2c3c(cccc13)C(=O)NC2=O	0
CCC[NH+](CCC)Cc1c(C(=O)OCC)nnn1-c1nonc1N	1
COc1ccc2c(c1)CC[N+]2(C)C	1
Cn1c(=O)c2c(ncn2CCCC(=[NH2+])N2CCOCC2)n(C)c1=O	1
COc1ccc(CC2=NCCc3cc(OC)c(OC)cc32)cc1	0
C[N@H+]1CCC[C@H](C(=O)N2c3ccccc3NC(=O)c3cccnc32)C1	1
CCc1[nH+]ccn1CCC(=O)N(C)CC1CC[NH+](CCc2ccccc2F)CC1	2
Cn1c(=O)c2c(ncn2CC(=[NH2+])N2CCCCC2)n(C)c1=O	1
COc1cc(C(=O)/C=C/N2CC=CC2)cc(OC)c1OC	0
Cn1cnc2c1c(=O)n(CC[N@@H+](C)CCO)c(=O)n2C	1
CC1(C)CC(NC(=O)c2ccn[nH]2)CC(C)(C)[NH2+]1	1
c1ccc2c(c1)nnn2OC(N1CCCC1)=[N+]1CCCC1	1
C[NH+](C)CCCN1c2ccccc2CCc2ccc(C#N)cc21	1
Cc1cc(/C=C/c2cccs2)cc(C)c1O	0
CC(=O)N[C@@H]1C=C(C(=O)N[C@@H](CCS(C)(=O)=O)C(N)=O)C[C@@H](O)[C@@H]1O	0
COc1ccc(C(=O)CC[NH+]2CCCCC2)cc1	1
CCN(CCC[NH+](CC)CC)C(=O)C(=O)NCC(=O)N1CC[NH2+]CC1	2
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2nnnc2N1	0
Cn1c2c(c3ccccc31)C[N@@H+](C)CC2	1
NC(=[NH2+])NCc1cc2c(c(O)c1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)c1ccccc1C2=O	1
CC[N+](CC)(CCO)CCCN1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O	1
COC(=O)C(C)(C)NC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C1CCCC1)C2	2
Cc1c(C(=O)OCC[NH+](C)C)oc2ccccc12	1
O=C1C[C@H]([NH2+]Cc2ccco2)C(=O)N1CCc1ccccc1	1
COc1cccc(NC(=O)CC[N@H+]2C[C@@H](C)C[C@@H](C)C2)c1	1
CCOC(=O)c1c(C)nc2c([C@@H]3CCC[N@H+]3C)cccn12	1
C[NH+](C)Cc1c(O)ccc2occ([C@@H](O)c3ccccc3)c12	1
O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CN2CC[NH2+]CC2)on1)NC1CC1	2
COc1cc(CN(C)C2CC[NH+](C)CC2)cc(OC)c1O	1
C[NH+]1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1	1
O=CN1CCN(C[C@@H](O)CN2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1	0
CC[NH+]1CCN(C(=S)c2ccc(OC)cc2)CC1	1
CC(C)(C)OC(=O)NCC1CC[NH+](Cc2ccccc2)CC1	1
Cn1nc(C(=O)NCCCN2CC[NH+](CCCNC(=O)c3ccc(=O)n(C)n3)CC2)ccc1=O	1
O=C1CN(S(=O)(=O)CCCS(=O)(=O)Nc2cnc[nH]2)CCN1	0
CC(C)(C)c1ccc(-c2nnnn2CC(=O)[O-])cc1	-1
c1ccc2cc([C@@]34C[NH2+]C[C@@H](CO3)O4)ccc2c1	1
COc1cc(C)ccc1S(=O)(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	1
COc1ccc([C@@H]2N(O)C(C)(C)C(c3ccccc3)[N+]2=O)cc1	1
OC[C@H](Cc1ccccc1)Nc1ncnc2c1cnn2-c1ccccc1	0
C=Cc1c(-c2ccccc2)nn(C)c(=O)c1N	0
C[N+](C)(C)[C@@H]1[C@@H](O)O[C@H]2[C@@H](O)CO[C@H]21	1
CSc1ccccc1OC[C@H](O)C[NH2+]C(C)C	1
CNC(=O)Oc1ccc2c(c1)[C@@]1(C)CCN(C)O[C@H]1N2C	0
CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1OCc1ccccc1	0
C[N+](C)(C)Cc1ccc(C(=O)c2ccccc2)cc1	1
OCC1=CC[N+]2(Cc3ccccc3)CC[C@H](O)[C@H]12	1
Nc1cc(Cl)cc2nc(Cc3nc4ccccc4[nH]3)[nH]c12	0
CC[NH+]1CCC(N2CCOCC2)CC1	1
CCc1ccc(NC2=NC(=O)C[C@@H](C(=O)c3ccccc3)N2)cc1	0
[NH3+]CCc1c[nH]c2ccc(OCc3ccccc3)cc12	1
Cc1cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2Br)no1	-1
C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)S(N)(=O)=O	0
c1ccc(C2(c3ccccc3)C[C@@H]2C2=[NH+]CCN2)cc1	1
O=C(CN1C2=[NH+]CCCN2c2ccccc21)c1ccc(F)cc1	1
CC(=O)Nc1ccc(N2C(=O)C[C@H]([NH+]3CCCC3)C2=O)cc1	1
Clc1ccc(CSc2nnc3[nH]cnn23)c(Cl)c1	0
C[NH+]1CCN(c2ccc(NC(=O)c3cccnc3Cl)cc2)CC1	1
CO/N=C1\COC2(CC[NH+](C)CC2)C1	1
Cc1[nH+]ccn1CCCN1C(=O)OC(C)(C)[C@@]1(C)O	1
O=C([O-])Cn1c(-c2cccc([N+](=O)[O-])c2)nc(=S)c2c1CCCC2	-1
Cc1ccc[nH+]c1NC[C@@H](O)COc1ccccc1	1
Cn1ncc(C2=CCC[NH2+]C2)n1	1
COc1ccc([C@@H]2NC[C@@H](C(=O)[O-])S2)cc1	-1
O=C(C[C@@H]1C(=O)NCC[N@H+]1C1CCCC1)NCC1CC[NH+](Cc2ccccc2)CC1	2
CCOc1ccc2c(c1)Sc1ccccc1N2CC[NH+](CC)CC	1
COc1ccccc1N(C(=O)c1ccccc1)[C@H]1C[NH+]2CCC1CC2	1
O[C@@H]1C=C2CC[N@H+]3Cc4cc5c(cc4[C@H]([C@H]1O)[C@H]23)OCO5	1
CCOC(=O)COc1ccc2c(C)c(CC[NH+](CC)CC)c(=O)oc2c1Cl	1
O=C(CN1C2=NCCN2c2ccccc21)c1ccc(Cl)cc1	0
COc1ccccc1N1CCN(CCn2cnc3sc4c(c3c2=O)CC[N@H+](C)C4)CC1	1
C[N+]1(C)[C@H]2CC[C@@H]1CC(OC(=O)[C@H](O)c1ccccc1)C2	1
C[C@H](C[NH2+]C1CCCCC1)OC(=O)c1ccccc1	1
C[N+](C)(C)CC[N+](C)(C)Cc1cccc2ccccc12	2
Cn1c(-c2ccccc2)cn2c3c(=O)[nH]c(=O)n(C)c3nc12	0
NC(=O)Cc1ccc(OC[C@@H](O)CCl)cc1	0
O[C@@H]1C[N@@H+](C2CCOCC2)CC[C@H]1N1CC[NH+](CCc2ccccc2)CC1	2
CC[NH+](CC)CCn1c(-c2ccccc2)noc1=N	1
COCCNC(=O)Cn1cc(C=C2C(=O)[N-]C(=O)NC2=O)c2ccccc21	-1
Cc1ccc(-n2cc(C[NH3+])cn2)cc1	1
Cc1cc2sc(C)[n+](CCO)c2cc1C	1
C[N+](C)(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1	1
Cc1nc2ccccc2nc1N1CC[NH+](C)CC1	1
CCOC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1	0
COc1cc(C)c(Cc2c[nH+]c(N)nc2N)cc1OC	1
NC(=[NH2+])Cc1c(Cl)cccc1Cl	1
CN1CCCCC/C1=[NH+]\CCn1cnc2c1c(=O)n(C)c(=O)n2C	1
C=CC[C@H]1C[N@H+](C)CC[C@@]1(OC(=O)CC)c1ccccc1	1
[NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[NH2+]CC1	2
CCOC(=O)C[NH+]1CCCCC1	1
CC(C)(C)[C@@]1(O)C=C(C(F)(F)F)NN1C(=O)c1ccccc1F	0
CN1C(=O)C[C@](C)(c2ccccc2)C1=O	0
CC(=O)Nc1ccc(-c2c[n+]3cc(Sc4ccccc4)ccc3n2C)cc1	1
C[NH+]1CCC(OC(=O)COc2ccccc2)CC1	1
C[NH2+][C@@H](C)[C@@H](O)c1ccccc1	1
Cc1cc(C)c(-[n+]2cccc(C(N)=O)c2)c(C)c1	1
c1cncc(COc2ccccc2-c2nc3ccccc3[nH]2)c1	0
O=C([O-])/C=C/C(=O)N1CCN(c2nccc(C(F)(F)F)n2)CC1	-1
C[C@@H]1CC[C@@H]([NH+]2CCN(c3ncccn3)CC2)C1	1
OCCN1CC[NH+]([C@@H]2CC[C@@H]3CC[C@H]2c2ccccc23)CC1	1
Cc1cc(C)[n+](Cc2ccccc2)cc1C(N)=O	1
O=C([O-])C1(CNS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CCC1	-1
Cc1ccc(N(CC2=[NH+]CCN2)c2cccc(O)c2)cc1	1
CC[C@@H]1CSC2=[N+](c3ccccc3)[C@@](O)(c3ccc(OC)cc3)CN21	1
Cc1cccc(C)c1OC[C@@H](C)[NH3+]	1
NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)CCC2=O)cc1	0
CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C(C)C)c(C(C)=O)c1	1
C[C@@H](C(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)[NH+](C)C	1
COc1cccc(OC)c1C[NH3+]	1
C[N@H+]1CCC[C@@H](C[NH2+]C2C3CC4CC(C3)CC2C4)C1	2
CCc1ccc([C@@H]2[NH2+]CCc3cc4c(cc32)OCCO4)cc1	1
CC(=O)Nc1ccc2n(C)cc[n+]2c1	1
COc1cc(OC)c(C[N+](=O)C(C)(C)C)c(OC)c1	1
C[C@]12CO[C@]3(C(=O)N4CCN(c5ccccn5)CC4)C[C@H]1CC[C@]23C	0
C[N@H+]1CC[C@]23c4c5ccc(O)c4O[C@@H]2[C@H](O)C=C[C@@H]3[C@H]1C5	1
NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1	1
Cc1cc(C)c(NC(=O)[C@@H]2CCC[N@H+]2CCO)c(C)c1	1
[NH3+]CCC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21	1
CC(C)C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(=O)[O-]	-1
O=C(Nc1ccccc1)O[C@@H]1C[NH+]2CCC1CC2	1
COC(=O)C1=C2C(=O)N(c3ccc(C)cc3)C(=O)[C@@]2(C)NN1	0
c1ccc(C(N2CC[NH2+]CC2)N2CC[NH2+]CC2)cc1	2
COc1cc2c(cn1)[C@H]1[NH2+]CC[C@@H]1CC2	1
O=c1c2ccccc2[nH]c(=S)n1CCC[NH+]1CCCCC1	1
COc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)c(OC)c1C	1
CC1=C(NC(=S)NC(=O)c2ccccc2)[NH2+]Cc2ccccc21	1
Cc1cc(Cl)c(N2CC[NH2+]CC2)cc1S(C)(=O)=O	1
C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc2c(c1)NC(=O)CS2	1
C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccccc1C(F)(F)F	2
CC(C)[C@H]([NH3+])C(=O)N1CCN(C(=O)C[C@@H](C)CC(C)(C)C)[C@H](C)C1	1
O=c1sc2ccccc2n1C[N+](CCO)(CCO)CCO	1
NS(=O)(=O)c1ccc(F)c(CNC(=O)NCC(=O)N2CC[NH2+]CC2)c1	1
C=CC[n+]1ncn(C(C)(C)C)n1	1
CN(C)C(=O)OCC[N+](C)(C)CCC[N+](C)(C)CCOC(=O)N(C)C	2
CCCC(=O)c1cc(F)ccc1OC[C@H](O)C[NH2+]C(C)(C)C	1
COc1ccc(C(C)=NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1	0
C[NH+]1CCC(c2c[nH]c3ccc(O)cc23)CC1	1
Nc1[nH+]c2ccccc2n1Cc1ccccc1	1
COc1cc(C(=O)NCC[NH+]2CCCC2)cc(OC)c1OC	1
O=c1[nH]c2ccccc2n1C1CC[NH2+]CC1	1
COc1ccc([C@@H](O)Cc2[nH+]ccn2C)cc1	1
CC(C)(C)C(=O)CON1C(=O)c2ccccc2C1=O	0
COc1cc(/C=N/NC(=S)NCc2ccco2)ccc1O	0
OC1CC[NH+](C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1	1
OCC[NH+]1CCOCCOCCOCC1	1
CC[NH+]1CCC([NH2+]C2CCC(O)CC2)CC1	2
CC(C)(C)c1cc(C[C@@H]2SCNC2=O)cc(C(C)(C)C)c1O	0
O=C1CS[C@@]2(C[NH+]3CCC2CC3)N1	1
C(CCCCCSC1=[NH+]CCN1)CCCCSC1=[NH+]CCN1	2
Nc1nc(-c2ccccc2)cn1/N=C/c1cccc([N+](=O)[O-])c1	0
OC[C@@H]1CCCC[N@H+]1Cc1cc(Br)cs1	1
Cc1oc(-c2ccc3c(c2)OCCO3)cc1C(=O)NCC(=O)[O-]	-1
O=[N+]([O-])c1ccc(CN2CC[NH2+]CC2)cc1	1
CC[NH+](CC)CCn1c(=O)[nH]c2ccccc2c1=O	1
C[C@@H](Oc1ccccc1)C(=O)N1CCCc2ccccc21	0
COC(=O)c1nn(-c2c(C)n(C)n(-c3ccccc3)c2=O)cc1[O-]	-1
CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)CC[N+](C)(C)Cc1ccccc1)C2	1
O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1CC[NH+]1CCCCC1	1
Cc1cccc(NC(=O)CSc2nc3c(=O)[nH]c(=O)[nH]c3n2C)c1	0
C[NH+](C)CCOC(=O)[C@@]1(C#N)CC2c3ccccc3C1c1ccccc12	1
CCn1c[n+](C[C@@H](O)COC2CCCCC2)c2cc(C)c(C)cc21	1
C[N+](C)(C)Cc1ccc(C[N+](C)(C)C)cc1	2
C[C@H]1CN(C)C[C@@H](C(=O)N[C@H](CO)CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)O1	0
COc1ccc([C@@H]2[NH2+]CC[C@@]23C(=O)N(C)c2ccccc23)cc1	1
CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NC[C@@H]1COCCN1C	0
Cc1cc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc([C@@H]2CCC[NH2+]2)n1	2
Cc1ccc(Nc2cc(C)[nH+]c3ccc(Cl)cc23)cc1	1
NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C[C@@H]1C(=O)N=CN1C(=O)[C@H]1C[NH2+]CCS1	1
CC(C)[NH2+]C[C@@H](O)c1ccc(N)c(C#N)c1	1
COc1ccc(-c2c[n+]3cn(Cc4ccccc4)c(C)c3c(=O)[nH]2)cc1	1
CCCc1cnc(N2CCC[NH2+]CC2)nc1	1
O=C(Nc1ccc(F)cc1)N1CC[NH+](CCc2ccccc2)CC1	1
NC(=[NH2+])c1ccc(-c2ccccc2[N+](=O)[O-])o1	1
C[NH+](C)CCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1	1
COc1ccc(Br)cc1CC[NH3+]	1
Cc1ncc([N+](=O)[O-])n1CCOC(=O)Nc1ccccc1	0
Cc1nc(N2CC[NH+](C)CC2)c2cnn(CCc3ccccc3)c2n1	1
CC[NH+](CC)CCn1c(NC(=O)c2ccccc2O)nc2ccccc21	1
CN(C)c1ccc(C(=C2C[NH+]3CCC2CC3)c2ccc(N(C)C)cc2)cc1	1
[NH3+][C@@H](CO)Cc1ccc(Cl)cc1	1
Cn1c(-[n+]2ccccc2)c(/C=N/NC(N)=S)sc1=O	1
CC(=O)Nc1ccc(C[NH+]2CCSCC2)cc1	1
C[N+](C)(C)C[C@@H](O)COc1ccc(Cl)cc1Cl	1
O=C(CC[NH+]1CCC(O)CC1)Nc1ccc2[nH]c3ccc(NC(=O)CC[NH+]4CCC(O)CC4)cc3c(=O)c2c1	2
Fc1ccc(OCC2CC[NH+](CC3CC3)CC2)cc1	1
C[NH+]1CCN(c2ccc(C=O)cc2)CC1	1
CS(=O)(=O)N1CCN(S(=O)(=O)NCC[C@@]2(O)CCOC2)CC1	0
Oc1ccc(CN2CCC([NH+]3CCCCC3)CC2)cc1	1
Cc1nnc(SCC(=O)Nc2ccc(F)cc2)s1	0
CS(=O)(=O)Nc1ccc(C(=O)N2CCN(CC(N)=O)C(=O)C2)cc1	0
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c[nH]c4ccccc34)C2=O)cc1	-1
COc1ccccc1[C@@H](O)Cc1cc[n+](C)cc1	1
O=c1oc2ccccc2c(N2CCCC2)c1C[NH+]1CCCC1	1
NC(=O)C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1	1
O=C(c1ccc(=O)[nH]c1)N1CCCC1	0
C[n+]1ccc(/C=C/c2c[nH]c3ccc(Br)cc23)cc1	1
C[NH+]1CCN(c2ncnc3c2cnn3Cc2ccccc2)CC1	1
COC[C@@H](C)[NH2+]C1CCN(C(C)=O)CC1	1
Nc1c(-c2nnnn2-c2ccccc2)c[nH+]c2ccccc12	1
C#CCN(C)C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)NC(C)C	1
CC[NH+]1CCC2(CC1)C[C@@H]1C[C@H]3C=C[C@]1(CN2C(C)=O)O3	1
COc1cc(C(=O)OCC[NH+](C)C)cc(OC)c1OC	1
COc1ccc(C(=S)NN)cc1	0
NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Br)o2)cc1	0
C[NH+]1CCN(Cc2ccc(C(=O)NC[C@@]3(O)CCC[NH2+]CC3)o2)CC1	2
O[C@@H](C[NH2+]C[C@@H](O)[C@H]1CCc2cc(F)ccc2O1)[C@H]1CCc2cc(F)ccc2O1	1
[NH3+][C@@H](CC[C@@H]([NH3+])C[C@H]1O[C@@H](N2CCC(=O)NC2=O)[C@H](O)[C@@H]1O)C(=O)[O-]	1
C[NH+](C)CCNC(=O)N1CCN(c2ccccc2Cl)CC1	1
c1ccc(C[NH+]2CCC(n3nnc4cccnc43)CC2)cc1	1
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]1COCC[NH2+]1	2
CC[N@H+]1CC=C2[C@H](C1)[C@@H](c1ccncc1)C(C#N)=C(N)C2(C#N)C#N	1
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1	-1
CN1C(=O)C[C@H](N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1=O	1
O=C(NN1C(=O)C=CC1=O)c1ccccc1I	0
Cc1cc(NC(=O)C[NH+]2CCCCC2)n(-c2ccccc2)n1	1
CC[NH+]1C[C@@H]2C[N@@H+](C)C[C@H](C1)C2OC(=O)c1ccc(Cl)cc1	2
CNC(=O)Cn1[nH]c(=NC(=O)N2CCN(Cc3nnc[nH]3)CC2)cc1C	0
COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1	2
Cc1ccc(S(=O)(=O)N(C)C2CC(C)(C)[NH+](C)C(C)(C)C2)cc1	1
C[NH+]1CCN(C2CC[NH+](Cc3ccccn3)CC2)CC1	2
C[NH+]1CCN(C2CC[NH+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)CC1	2
O=C([O-])CCC(=O)Nc1ccc(N2CCOCC2)c2nonc12	-1
NC(=O)c1c([N-]C(NC(=O)c2cccnc2)(C(F)(F)F)C(F)(F)F)sc2c1CCCC2	-1
CC1(C)CC(=O)CC(C)(C)N1OC(=O)c1ccco1	0
S=C(NCc1ccco1)Nc1ccc2[nH]ccc2c1	0
C[N@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)CCN1CC[NH2+]CC1	2
COc1ccccc1N1CC[NH+](CCc2ccc3[nH]c(=O)sc3c2)CC1	1
O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1	1
COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CC[NH2+]C[C@@H]1OC	1
c1ccc(-n2nnnc2SCC[NH+]2CCCCC2)cc1	1
c1ccc2c3c(c[nH+]c2c1)OCCN3	1
COc1ccc(C(=O)Nn2c(C)nnc2-n2nc(C)cc2C)cc1	0
c1ccc2c(N3CCOCC3)cc(-c3ccncc3)[nH+]c2c1	1
CN(CC[NH+](C)C)n1cc(-c2ccccc2)c2ccccc21	1
N#Cc1c(N)sc2c1CC[N@H+](CCc1ccccc1)C2	1
CC(=O)NCCN(C)C(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1	0
CN(C)S(=O)(=O)N1CC(NC(=O)CCn2cc(S(N)(=O)=O)cn2)C1	0
CC(C)N1CCC([NH+]2CCCCC2)CC1	1
NC(=[NH2+])NCc1cccc(CNC(N)=[NH2+])n1	2
C[N@H+]1CCCN(C[C@@H]2Cc3ccccc3C[NH2+]2)CC1	2
C[NH+]1CCN(C(=O)CCNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1	1
CCCN(c1cc[nH+]cc1)n1ncc2ccccc21	1
CCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1	1
CC(=O)N1CCC([NH+]2CCN(c3ccccc3)CC2)CC1	1
Clc1cccc(SC2CC[NH2+]CC2)n1	1
CC[C@@H](NC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1)C(=O)N1CCOCC1	0
CC(C)(C)[C@H](C[NH+]1CCCC1)OC(=O)c1ccccc1	1
C[NH+]1CCN(C(=S)c2cn(CCOc3ccccc3F)c3ccccc23)CC1	1
C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1	0
CC(=O)O[C@H]1CC[N@H+](Cc2ccco2)[C@@H](C)[C@H]1C	1
c1cc2c(c(CC3=[NH+]CCN3)c1)CCCC2	1
CC[NH+]1CCN(C(=O)c2ccc(N3CCC([NH2+]CCCOC(C)C)CC3)cc2)CC1	2
O=C(C[NH2+]C1CCCCC1)Nc1c2c([nH+]c3c1CCC3)CCC2	2
O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCCCC2)c1	1
CC(=O)O[C@H]1CC[N@H+](CCc2ccccc2)[C@H](C)[C@H]1C	1
CC1(C)C[C@@](c2ccccc2)([C@@H](CO)C[NH2+]Cc2ccccc2)CCO1	1
C[NH2+]C[C@@H]1OCCc2ccccc21	1
C[N@H+]1CCCC[C@@H]1C(C)(C)OC(=O)C(c1ccccc1)c1ccccc1	1
COc1cc(NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])cc2ccccc12	2
Cc1sc(NC(=O)/C=C/c2ccco2)c(C(=O)[O-])c1C	-1
CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccco2)C1	1
CC(C)(C)c1cc[n+](Cc2cc(Cl)nc(Cl)c2)cc1	1
CN(C(=O)C[NH+]1CCCCC1)C(C)(C)C(=O)c1ccccc1Cl	1
COc1ccc(NC(=O)CN2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)cc1	0
CNC1=[NH+]c2ccc(Cl)cc2C(c2ccc[nH]2)=NC1	1
CC(C)[NH2+]C[C@@H](O)COc1cccn2nccc12	1
Cc1nc(-c2cccnc2)[nH+]c(NN)c1Cl	1
O=C([O-])c1cccnc1S[C@H]1CC(=O)N(Cc2ccccc2)C1=O	-1
c1ccc2c(c1)CCC[C@@H]2C1=[NH+]CCN1	1
CC[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1	1
c1ccc(-c2c[nH]n3ccnc23)cc1	0
Cc1c(C(=O)[O-])sc(S(=O)(=O)N2CC[NH2+]CC2)c1C(=O)[O-]	-1
C[NH+](C)CCCN1CCN(CC2=C(N3CCN(CCC[NH+](C)C)CC3)C(=O)c3ccccc3C2=O)CC1	2
C[N+]1(C)CCN(C[C@@](O)(c2ccccc2)C2CCCCC2)CC1	1
CCS(=O)(=O)NCCS(=O)(=O)N1CCO[C@@H](CNC(=O)NC)C1	0
COc1ccc(C(=O)c2c(NC(C)=O)sc3c2CC[NH2+]C3)cc1	1
COc1ccc(C)cc1C(=O)CSc1nc(N)cc(N)[nH+]1	1
CCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2nccnn2)CC1	0
COC(=O)CN1C(C)=[NH+]c2ccc(Cl)cc2[C@@H]1c1ccccc1	1
COc1cc(NC(=S)N2CC[NH+](C)CC2)cc(OC)c1	1
CN1CCC([NH2+]CC[C@@H]2CCC[N@H+]2C)CC1	2
COc1cc2c(cc1OC)C1(CCC(O)CC1)C[N@@H+](C)C2	1
CNC(=O)CN1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1	0
C[NH+](C)C[C@@H](O)COc1c(Cl)cc(Cl)cc1Cl	1
CC[NH2+]C1(c2cccc(Cl)c2)CCC1	1
CC(C)=CCn1c(N2CC[NH+](C)CC2)nc2c1c(=O)[nH]c(=O)n2C	1
CC(C)([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCC[NH2+]1	2
C[N@@H+](Cc1ccccc1N)C1CCCCC1	1
C[N@H+]1[C@H]2CC[C@@H]1CC(NC(=O)c1cn(C3CCCCC3)c3ccccc3c1=O)C2	1
Cc1ccc(C[NH+]2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1	1
C=C1OC(=O)OC12CC(C)(C)[NH2+]C(C)(C)C2	1
C[C@@H]([NH3+])Cc1[nH]nc2ccc(O)cc12	1
C[N+](C)(CCOc1ccccc1)Cc1ccccc1	1
CCOC(=O)C(=C1CC(=O)N(c2ccccc2)C1=O)C(C)[NH3+]	1
CN(C)C(=O)Oc1ccc[n+](Cc2ccccc2)c1	1
Cc1cc(C(=O)NCC[NH+]2CCCCC2)no1	1
O[C@@](C#CC[NH+]1CCCC1)(c1ccccc1)C1CCCC1	1
O=C(Cc1c(C(=O)[O-])[nH]c2ccccc12)Nc1ccc(Cl)cn1	-1
COc1ccc2c(c1)c(C(=O)C[NH+](C)C)c(C)n2C	1
NNc1[nH+]nc(Cl)c2c1CCCC2	1
COc1cc2c(cc1C=C1C(=O)[N-]C(=S)NC1=O)OCO2	-1
c1ccc2c(c1)CCO[C@@H]2C[NH2+]C[C@@H]1COc2ccccc2O1	1
Cc1[nH+]c2ccccc2c(N)c1CO	1
Cc1[nH+]c2ccccc2c(N)c1[C@@H](C)O	1
O=[N+]([O-])c1ccccc1CN1CC[NH+](C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1	1
Cc1c(CC[NH3+])c2ccccc2n1C	1
CC1(C)C(C(=O)N[C@H](C(N)=O)c2ccccc2)C1(C)C	0
Fc1ccccc1NC1CC[NH+](CCc2ccccc2)CC1	1
O=C(c1ccc(N2CC[NH2+]CC2)cc1)c1cccc(F)c1	1
CCOC(=O)Nc1ccc2c(c1)N(C(=O)C[NH3+])c1ccccc1CC2	1
NC1=[NH+][C@@H](C[C@@H]2CO2)CCCC1	1
COc1ccc(CN2C[C@H](C[NH+]3CCOCC3)c3ccccc32)cc1C[NH+](C)C	2
COc1ccc(S(=O)(=O)N(CCO)CCO)cc1C(=O)[O-]	-1
S=c1oc2ccccc2n1CNc1ccccn1	0
CC[NH+](CC)CCn1c2ccccc2n2c(C(=O)OC)c(C)nc12	1
C[NH+](C)CCNC(=O)CN1C(=O)COc2ccc(C(C)(C)C)cc21	1
CS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)CCC2)cc1	0
Cc1ccc2cc(F)ccc2[n+]1C	1
O=C(NCC(=O)N1CCNCC1)C(=O)NC[C@@H]1COc2ccccc2O1	0
C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccccc12	1
CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(C#N)cc2F)cc1	1
CNC(=O)c1ccc(C[NH+](C(C)C)C(C)C)o1	1
C[NH+]1CCC(c2n[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc23)CC1	1
COc1cc(N)c(Cl)cc1C(=O)NCC[N@@H+](C)C1CC1	1
COc1cc([C@@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])cc(Cl)c1O	0
NC(=[NH2+])NC(=[NH2+])Nc1ccc(Cl)c(C(F)(F)F)c1	2
Cc1cccc(NC(=O)N2CCCC2=O)c1	0
Cn1ccnc1C[NH+]1CCC(C(=O)NC2CC[NH+](C3CC3)CC2)CC1	2
Cc1cc(C=C2Sc3ccccc3N2C)cc(C)[n+]1N1CC[NH+](C)CC1	2
CC[NH+](CC)CCOc1ccc(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CC[NH+](CC)CC)cc1	2
Nc1c(Cl)cc(CC2=[NH+]CCN2)cc1Cl	1
OC1(Cc2ccccc2)CC[NH2+]CC1	1
Cc1c(C[N@@H+](C)CCc2ccccc2)c(=O)n(-c2ccccc2)n1C	1
Nc1c2c([nH+]c3cc(F)ccc13)CCCC2	1
COC(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1	-1
N#Cc1c(-c2ccc3c(c2)OCO3)cc(-c2ccccc2O)[n-]c1=O	-1
c1nc2ccsc2c(NN2CCCCC2)[nH+]1	1
CCO[C@]1(C2=[NH+]CCN2)COc2ccccc2O1	1
CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)[C@H]1C[C@@H](O)CN1C(C)=O	0
COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)[N@H+]1CCC([C@H](C)NC(=O)[C@H](C)[NH3+])=C[C@@H](Cc2ccccc2)C1)C(C)C)C(C)C	2
CC1(C)CC(NC(=O)c2cc3ccccc3oc2=O)CC(C)(C)[NH2+]1	1
CNC(=[NH2+])c1cc(Cl)cc([N+](=O)[O-])c1	1
C[C@@H](Oc1ccccc1)C(=O)NC1CCCCCC1	0
Cc1ccc2c(c1)c1c(n2C[C@@H](O)Cn2cc[nH+]c2C)C(=O)CCC1	1
C[N@H+]1[C@H]2CC[C@@H]1CC(=NOC(=O)c1ccco1)C2	1
CC[C@@H](C)[C@H]([NH3+])C(=O)NCC(C)(C)[NH+]1CCCCC1	2
O=S(=O)(Nc1ccc(O)c(C[NH+]2CCCCC2)c1)c1ccccc1	1
NS(=O)(=O)c1ccc(CCNC(=O)c2cccs2)cc1	0
CC[C@H]1NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N1	0
Nc1[nH]c([C@@H]2c3[nH+]c(N)[nH]c3C[C@H](CNC(=O)c3cc(Br)c[nH]3)[C@H]2CNC(=O)c2cc(Br)c[nH]2)c[nH+]1	2
CCOC(=O)N1CCC([NH2+]CC(C)(C)C[NH+](C)C)CC1	2
CCC[C@H](C(=O)c1ccc(C)cc1)[NH+]1CCCC1	1
C[n+]1ccccc1CC(=O)c1ccc(Br)cc1	1
C[C@@H](NC(=O)C[NH+]1CCCCC1)[C@@H]1COc2ccccc2O1	1
C[NH+]1CCN(C(=O)C[C@@H]2CC[NH2+]C[C@@H]2Cc2cc(CN3CCN(c4ccccc4)CC3)on2)CC1	2
C[C@@H](C(=O)c1ccc(N)cc1)[NH+]1CCCCCC1	1
CCOc1ccc(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1	1
Oc1ccc(N2CC[NH+](Cc3ccc(OCCC[NH+]4CCCCC4)cc3)CC2)cc1	2
C[C@@H](CO)N(C[C@@H](C)O)C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1	0
O=C1NC[C@@H]2c3ccccc3Oc3cccc1c32	0
CO[C@@H]1CC(=C(c2cccs2)c2cccs2)C[N+](C)(C)C1	1
Cc1ccc(-c2csc3ncnc(N4CC[NH+](C)CC4)c23)cc1	1
COc1ccc(Cn2nnc(C(=O)Nc3ccc(F)cc3)c2N)cc1	0
Cc1ccc(F)cc1NC1=[NH+]CCN1	1
Cc1ccc(C(=O)c2c(C)[n+](-c3ccccc3)c3scc(C)n23)cc1	1
COc1cc2c(cc1OC)[C@H](c1ccccc1)C[N@@H+](C)CC2	1
O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/n2cnnc2)c1	-1
CC1CC[NH+](CC(=O)Nc2sc3c(c2C(N)=O)CCC3)CC1	1
CNc1oncc1C1=CCC[N@@H+](C)C1	1
COc1cc(OC)c(C[NH3+])c(OC)c1	1
COc1ncnc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-]	0
CC[NH+]1CCN(C(=O)CCC2CC[NH+]([C@@H](C)Cc3cccc(C)n3)CC2)CC1	2
C[C@@H]1CCCC[N@H+]1CC(=O)N1CCC(C(N)=O)CC1	1
COc1cccc(CC[NH+]2CCCC2)c1N	1
CC(=O)c1ccc(N2CC[NH2+]CC2)cc1	1
CCOC(=O)c1cnc(C[NH3+])c2c(OC)cc(OC)cc12	1
COc1ccc(C[NH+]2CCN(c3ccc(C(C)=O)cc3)CC2)cc1	1
CC(C)(C)OC(=O)NC1CCC(C[NH3+])CC1	1
C[NH+](C)CCCNS(=O)(=O)c1ccc2c(c1)Cc1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1-2	2
CCOc1ccccc1C[NH+]1CCC(O)CC1	1
CC(NCC1CC[NH2+]CC1)=C1C(=O)CC(C)(C)CC1=O	1
Cn1cc(OC[C@H](O)C[NH2+]C(C)(C)C)c2ccccc2c1=O	1
CCN(C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)[C@@H]1CC(=O)NC1=O	0
CCN1CCN(CC(=O)NCCCn2c(=O)ccn(C)c2=O)C(=O)C1=O	0
CC[NH+]1CCN(c2ccc(NC(=O)Cc3ccccc3)cc2)CC1	1
CC[NH+]1CCC(CNS(=O)(=O)c2ccc(C[NH3+])cc2)CC1	2
NC(=O)C1CC[NH+]([C@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2=O)CC1	1
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C3[C@H](CCC[C@@H]3N(C)C(=O)NCCO)[C@H]12	-1
C[C@H](NC(=O)C1C(C)(C)C1(C)C)C(N)=O	0
c1coc(CNc2nc3ccccc3n2CC[NH+]2CCOCC2)c1	1
C[C@@H]1CCCN(c2nc3ccccn3c(=O)c2C=O)C1	0
COc1ccncc1NC(=O)C(=O)NC1CN(S(=O)(=O)N(C)C)C1	0
CNc1nc(-c2ccccc2)[n+](-c2ccccc2)s1	1
C[NH+](C)CCCn1c2c(c3ccccc31)CCCCCC2	1
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])cc2)cc1	-1
Cc1cc(N2CCOCC2)c2c(N)c(C)cc(C)c2[nH+]1	1
COc1ccc([C@@H]2NC(=[NH2+])NC(=N)N2c2ccc(Cl)cc2)cc1	1
CC[N@H+]1CCC[C@H](NC2=CC(=O)OC23CCCCC3)C1	1
C[N+]1(C)CCc2ccc(Cl)cc21	1
Cn1n[n+](Cc2ccc([N+](=O)[O-])cc2)c2ccccc21	1
C[N@H+]1C[C@H]2C[C@@H]1CN2c1cnccn1	1
COc1ccc([C@@H]2SCC(=O)N2CCC[NH+](C)C)cc1	1
CCOc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1	-1
[NH3+][C@H](C(=O)N1CCN(c2ccccn2)CC1)c1ccccc1	1
C/C=C(\C)C[NH+]1CCC(C(N)=O)CC1	1
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(CC)CC)cc3OC)C2=O)cc1	-1
CC(C)n1c(N2CC[NH+](C)CC2)nc2c1c(=O)[nH]c(=O)n2C	1
Cc1ncc(C[n+]2cccc(C(N)=O)c2)c(N)n1	1
C[C@@H]1CC(C)(C)O[C@@H](C(C)(C)C[NH+](C)C)O1	1
O=C1NCCN1C(=O)C(c1ccccc1)c1ccccc1	0
Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1	2
C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCC2(O)C3CC4CC(C3)CC2C4)C1	2
CC[NH+](CC)CC(=O)Nc1scc2c1c(=O)oc1ccccc12	1
C[NH+]1CCC2(CC1)OC(=O)NC2=O	1
COCCN1CCN(C(=O)C(=O)N2CCC[C@@](O)(CC(N)=O)C2)CC1	0
CC1(C)CC(=O)[C@@H]([C@@H](O)c2ccccc2)C(C)(C)[NH2+]1	1
COC(=O)CCc1ccc(OC)c(C[N+](C)(C)C)c1	1
O=C(Cc1ccccc1[N+](=O)[O-])Oc1cc(=O)oc2ccccc12	0
COc1ccc(COC[C@@H](O)C[NH2+]C2Cc3ccccc3C2)cc1	1
C[NH+]1CCN(C(=O)c2ccc(CNS(=O)(=O)c3cccc(Cl)c3)cc2)CC1	1
FC(F)(F)c1cc(NCC[C@@H]2CCCC[NH2+]2)cc(C(F)(F)F)c1	1
C[N+](C)(CC[N+](C)(C)CN1CCCC1=O)CN1CCCC1=O	2
O=C([O-])c1cn(C2CC2)c2cc(N3CC[NH2+]CC3)c(F)cc2c1=O	0
CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CN1C(=O)NC(C)(C)C1=O	0
C[C@H]1C/C(=N/OC(=O)c2ccc(Br)cc2)[C@H](C)C[N@H+]1C	1
C=CCN1C(=O)OC2(CC[NH+](C)CC2)C1=O	1
C[NH+](C)CCNC(=O)c1coc(=O)c(Br)c1	1
Nc1n[nH]c(CCNc2nc(N3CCN[C@H]4CS(=O)(=O)C[C@H]43)cc[nH+]2)n1	1
C[C@@H](CNC(=O)C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)S(N)(=O)=O	0
C[N@H+]1[C@H]2CC[C@@H]1C=C(c1cccnc1)C2	1
COc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@H]2C)cc1	1
C[C@@H]([NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21)c1ccccc1	1
C[n+]1ccccc1COc1ccc(C(N)=O)cc1	1
NC(=O)CC[NH2+]C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O	1
Cc1cc(Br)c([O-])c(/C=N/CCNC(=O)c2nonc2N)c1	-1
CC(C)(C)CC(C)(C)NC(N)=[NH2+]	1
NC(=[NH2+])NC[C@H]1COc2ccccc2O1	1
COc1ccc([C@@H](C)NC(N)=[NH2+])cc1Cl	1
CN1CCN(NC(=O)CCn2c(=S)[n-]c3ccccc3c2=O)CC1	-1
CN(C)C(On1ccccc1=O)=[N+](C)C	1
CC[NH2+][C@H](C)COc1c(C)cccc1C	1
O=S(=O)(c1ccccc1)c1c(-c2ccccc2)no[n+]1[O-]	0
CCOC(=O)c1ccc(NC(=S)NCC[NH+]2CCC(C)CC2)cc1	1
NNc1ccnc(-c2ccccc2)[nH+]1	1
Cc1nn(Cc2n[n-]c(=S)n2-c2ccccc2)c(=O)n1N	-1
C[C@@H]1CC[C@@H]([NH+]2CCC([NH+]3CCCCC3)CC2)C1	2
Cc1cccc(OCC(=O)Nc2ccc(C(N)=O)cc2)c1	0
Cc1ncn(CC(=O)NC(C)(C)C[NH3+])c1Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O	1
CCOc1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1	1
Nc1cc[n+](CCCC#CC#CCCC[n+]2ccc(N)cc2)cc1	2
C[C@]12CC3([NH3+])CC(O)(C1)C[C@@](C)(C3)C2	1
C[N@@H+]1[C@@H](CCC(=O)N2CCC(O)CC2)CNC(=O)[C@@H]2[C@H]1CCN2Cc1ncc[nH]1	1
Cc1nc(-c2ccccn2)cc(NN)[nH+]1	1
O=S1(=O)C(Cl)=C(N2CCOCC2)c2ccc(Cl)cc21	0
C[N@H+]1[C@H]2CC[C@@H]1CC(=NOC(=O)C1CCCCC1)C2	1
O=C(CN1CCN(c2ccccn2)CC1)Nc1ccc(F)c(F)c1	0
CC1(C)CCCN(c2[nH+]cnc3[nH]ccc23)C1	1
C[C@@H](C[N+](C)(C)C)OC(=O)c1ccc(S(=O)(=O)N(C)C)o1	1
C[NH+](C)CCCN1CNC(=S)NC1	1
C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@]2(C1)NC(=O)N(C)C2=O	2
O=S(=O)(N[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccco1)c1ccccc1	1
COC(=O)c1ccc(OC[C@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1	1
CCOC(=O)c1ccc2[nH+]c(C)cc(Nc3ccc(O)cc3)c2c1	1
C[C@@H](CN1c2ccccc2Sc2ccccc21)C[NH+](C)C	1
CC[C@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccccc1	0
CCOC(=O)c1ccc2c(c1)[n+](CCO)c(C)n2CCO	1
COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(O)ccc2C1=O	0
CCOC(=O)CC12CN(C)CC(CC(=O)OCC)(C[NH+](C)C1)C2=O	1
CC(=O)Nc1ccc2c(c1)n(C)c(C)[n+]2-c1ccccc1	1
COc1cc(NC(=O)COc2ccc(F)cc2)nc(OC)n1	0
Cc1cc(Nc2ccc(F)c(Cl)c2)nc(N)[nH+]1	1
Cc1ccc(CNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1	0
CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1	2
COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1	2
C[NH+](C)CCNC(=O)c1scc2c1CCCC2	1
C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cn1cc(Br)c(=O)[nH]c1=O	2
CCCc1cc(=O)n(-c2ccc(S(N)(=O)=O)cc2)[n-]1	-1
Cc1ccc2c3ccc(C)[n+](C)c3ccc2[n+]1C	2
CC(C)(C)[NH2+]C[C@@H](O)c1cc(O)cc(O)c1	1
COCCNc1nc(N[C@@H]2CNC(=O)C2)[nH+]c(N[C@@H]2CNC(=O)C2)n1	1
C=CC[N+]1(C[C@@H](O)COc2cccc3ccccc23)CCOCC1	1
CN(C)c1ccc(C=C2C(=O)OC(C)(C)OC2=O)o1	0
CCOc1cc(C[NH+]2CCN(c3ccccn3)CC2)ccc1O	1
COc1cc2nc3c(c4c2c(c1OC)N(C(=O)CN1CC[NH+](C)CC1)CC4)Cc1cc(OCC[NH3+])ccc1-3	2
OC1(/C=C/C[NH+]2CCCCC2)CCCCC1	1
NC(=[NH2+])SCc1ccccc1Cl	1
[NH2+]=C1Nc2ccccc2[C@H]2CCCC[C@@H]12	1
C[C@H](O)CN1CCN(C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)CC1	0
O=C(COc1ccccc1Br)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	-1
Cc1ncc(C[n+]2csc(C)c2C)c(N)n1	1
Cn1ccc2c(NC(=O)Nc3cccnc3)cccc21	0
CSc1ccc(C[NH+](CCO)CCO)cc1	1
[NH3+]C[C@@H](c1ccc[nH]1)C(F)(F)F	1
CCN1CCO[C@@H](CC(=O)Nc2ccc(Br)cc2)C1=O	0
O=C1c2ccccc2S(=O)(=O)N1C[C@@H](O)COc1ccccc1	0
Oc1ccc(O)c(C[NH+]2CCCCCC2)c1	1
Nc1c2c([nH+]c3ccccc13)CCOC2	1
C[NH+](C)CCNc1oc(COc2ccccc2)nc1C#N	1
Cc1nc2ccccc2c(=O)n1CCCn1ccnc1	0
C[C@@]1(O)CC2(CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC2)OC[C@H]1n1cnc2c(N)ncnc21	1
COC(=O)CCC(=O)Nc1ccc(Cl)c(Cl)c1	0
Cc1ccc(CNC2=[NH+]CCS2)cc1	1
Cc1nnc(-c2ccccc2)c(=O)n1/N=C/c1cccs1	0
C[NH+]1CCN(c2c3c(c(C#N)c4nc5ccccc5n24)CCC3)CC1	1
CCOC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccc(OC(F)(F)F)cc1	0
Nc1cc2c(cn1)[nH]c1ccccc12	0
C[NH+](C)CCNC(=O)NC1(C(F)(F)F)Oc2ccccc2O1	1
c1ccc(-c2n[nH]cc2-c2ccc3ncccc3n2)nc1	0
O=C(c1ccccc1)N(c1ccccn1)[C@@H]1C[NH+]2CCC1CC2	1
COc1cc2c(cc1O)CCN(C(=O)C[NH+]1CCCCC1)[C@@H]2C	1
O=C(c1ccccc1)c1cc[n+](Cc2ccccn2)cc1	1
Cc1ccsc1C[N@H+]1CCC[C@@H](O)C1	1
O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C(=O)NCC[NH2+]C1CC1	2
c1ccc(COc2ccc(C[NH2+]CC3CC[NH2+]CC3)cc2)cc1	2
Cc1cc(C)n2n[s+]cc2n1	1
CCOC(=O)N1CCC([NH2+]CCc2c[nH]c3ccccc23)CC1	1
CCC(=O)NCCC1=CCc2ccc3c(c21)CCO3	0
COc1ccnc(N2CCN(C(=O)c3ccco3)CC2)n1	0
CC(C)c1ccc(OCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1	1
Cc1cc(C)nc(NC2=NCC(=O)N2c2ccccc2Cl)n1	0
c1ccc(N2CC[NH+](C3CCN(Cc4ccco4)CC3)CC2)cc1	1
CC1(C)C[C@]2(CCC[N@@H+](CCC(N)=O)C2)CCO1	1
CC[n+]1c(C)sc2ccccc21	1
C[NH+](C)CCCOC(=O)c1ccccc1C(=O)OCCC[NH+](C)C	2
O=C([O-])CCNC(=O)c1ccc(C#CC2(O)CCCCC2)cc1	-1
O=S(=O)(NC1CCCCC1)c1cccc2nsnc12	0
COc1cc(C(=O)NN2CC[NH+](C)CC2)cc(OC)c1OC	1
Cc1[nH]c2c(Cl)c(Cl)ccc2c1CC[NH3+]	1
C[N@H+]1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc(S(C)(=O)=O)cc21	1
O=Cc1ccc(N2CC[NH+](Cc3ccccc3)CC2)nc1	1
O=C1NC(=S)NC1=Cc1ccc(N2CCCC2)cc1	0
Cc1cc(C)cc(OCC(=O)NCCc2nc3ccccc3[nH]2)c1	0
C[NH2+]CCc1ccccc1CC1CC[NH2+]CC1	2
Cn1c(-[n+]2ccccc2)c(C=O)n(-c2ccccc2)c1=O	1
O=S(=O)(N[C@@H]1CCCC[C@@H]1[NH+]1CCCCC1)c1ccccc1	1
CC1(C)C=C(n2ccccc2=O)c2cc([N+](=O)[O-])ccc21	0
CC[NH+](CC)CCN1CC[NH+]=C1Cc1ccccc1	2
NC(=[NH2+])Nc1ccc(-c2cc3cc(NC(N)=[NH2+])ccc3s2)cc1	2
C[C@H](c1ccccc1)[N@H+]1CCc2nc(=O)n3cc(-c4ccccc4F)[nH]c3c2C1	1
Cn1nc2ncc3c([n+]2n1)CCCC3	1
O=C(CCC[NH+]1CCCCC1)c1ccc(F)cc1	1
CC(C)[C@](O)(C(=O)OCC1=CC[N@H+]2CC[C@@H](O)[C@@H]12)[C@H](C)O	1
CC[C@@H]([NH3+])Cc1c[nH]c2ccccc12	1
C[C@@H]([NH3+])Cc1c[nH]c2ccc(F)cc12	1
O=C(COC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)N1CCOCC1	1
C[C@@]1(O)CC2(CCN(C(=O)CC[C@H]([NH3+])C(N)=O)CC2)OC[C@H]1n1ccc(N)nc1=O	1
Cc1nn(C[C@H](C)[NH3+])c2cc(F)c(F)cc12	1
O=[N+]([O-])c1cccc(-c2csc3[n+]2CCC3)c1	1
COc1cc(C(=O)OC2C[C@@H]3CC[C@H](C2)[N@H+]3C)ccc1O	1
COc1ccc(-n2cc(-c3ccccc3)c3c(N4CCCC4)[nH+]cnc32)cc1	1
COc1cc(C[N@H+]2CCc3ccccc3C2)cc2c1OCO2	1
C[n+]1ccccc1COc1ccc(/C=N/O)cc1	1
O=C(c1ccc(F)cc1)C1CC[NH+](CCn2c(=O)nc3n(c2=O)CCCC3)CC1	1
Cc1ccc2c(C(=O)C[N@H+]3CCCC[C@@H]3CCO)c(C)[nH]c2c1	1
CC(C)Oc1ccccc1C[NH3+]	1
C[NH+](C)CCNc1nc(-c2ccccc2)nc2ccccc12	1
c1ccc2c(c1)sc1[n+]2CCS1	1
CC(C)(C)Nc1nc(-n2ccnc2)nc(-n2ccnc2)n1	0
O=C1C(=CNCC2CC[NH2+]CC2)C(=O)c2ccccc21	1
O=C([O-])C[C@@H](Cc1ccc(Cl)cc1)C(=O)NC1CCCCC1	-1
CC[NH+](CC)CCNC(=O)C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1	2
Cc1nn(C)cc1[C@@H]1C[C@@H](C(F)(F)F)n2nc(C(=O)[O-])cc2N1	-1
Cc1ccc(SCC(=O)NC2C[C@@H]3CC[C@H](C2)[N@H+]3C)cc1	1
[NH3+]Cc1cc(-c2ccccc2)no1	1
O=C(C(=O)N1CCN(C[C@@H](O)CC2(O)CCC2)CC1)N1CCOCC1	0
CCOC(=O)/C(C#N)=C/[NH+]=c1\ccn(C)c2ccccc12	1
C[NH+](C)CCOC(=O)Nc1ccc(Br)cc1	1
Cc1cccc(C[N@H+](C)C2CC[NH+](C)CC2)c1	2
CN1C(=O)C[C@H]([NH+]2CCC(c3nc4ccccc4[nH]3)CC2)C1=O	1
C[C@@H](Oc1ccccc1F)C(=O)NCC[NH+]1CCCCC1	1
[NH3+]Cc1cnc(-c2ccccc2)s1	1
CCOc1ccc(/C=C/c2cc[n+](C)cc2)cc1C[NH+]1CCCCC1	2
C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NC23C[C@@H]4C[C@H](C2)CC(n2cncn2)(C4)C3)C1	2
C[N@H+]1CCC[C@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12	1
CC(=O)N1CCN(c2cc[nH+]c3cc(Cl)ccc23)CC1	1
Nc1cc(=O)n(Cc2ccccc2)c(=O)n1-c1ccc(F)cc1	0
Cc1ccnc(N2CC[NH+](CCc3c(C)n4c5c(cccc35)CCC4)CC2)c1	1
CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[C@@H]([C@@H](O)C(F)(F)F)C2)CC1	0
CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC1	2
C[NH+](C)Cc1cc(CCNC(=O)c2ccc(Cl)cc2)ccc1O	1
O=c1oc2cccnc2n1CC[NH+]1CCN(c2ccccc2)CC1	1
CN1CCC[C@@]2(CCC[NH2+]C2)C1	1
N#Cc1ccc2c(c1)N(CCC[NH+]1CCC(O)CC1)c1ccccc1S2	1
CC1(C)CC2(CC(C)(C)[NH2+]1)OC(=O)N1CCc3ccccc3[C@@]12C	1
O=Cc1ccc(-c2ccc(-c3cccs3)s2)s1	0
NC(=O)C(Sc1nc2ccccc2n1C(C(N)=O)C(N)=O)C(N)=O	0
Cc1ccc(NC2=[NH+]CCCS2)cc1	1
CCc1cccc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1	0
C[N@H+]1CCC[C@@H](OC(=O)c2ccco2)C1	1
CO[C@H]1C[C@@H](CN(C)C(=O)NCCC[NH+]2CCC[C@@H]2C(N)=O)[N@@H+](C)C1	2
O=C(NCCC[NH+]1CCOCC1)C1CC[NH+](Cc2ccccc2)CC1	2
CC[C@@H](C(=O)O[C@@H]1C[NH+]2CCC1CC2)c1ccccc1	1
C[NH+]1CCN(c2ccc(CNC(=O)c3ccco3)cc2)CC1	1
CC(=O)c1cc(Br)cc([N+](=O)[O-])c1[O-]	-1
Cc1cccc(C)c1NC(=O)[C@@H](C)[NH3+]	1
Cc1cc(=O)oc2cc(NC(=O)[C@@H]3CCC[NH2+]3)ccc12	1
CC[N@@H+]1C[C@@H](NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)[C@H](C)C1	1
CS(=O)(=O)NC1CC(NC(=O)N2CCN(CCS(N)(=O)=O)CC2)C1	0
C[NH+]1CCN(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1	1
C/C(=C/CC[NH+]1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1	1
CC(C)Nc1nc(N2CCCC2)nc(N2CCCC2)[nH+]1	1
Cc1ccc(-c2noc(CN(Cc3ccco3)S(C)(=O)=O)n2)cc1	0
C[NH+](C)Cc1ccc(N2CCN(C(=O)C(=O)NCC[NH2+]C3CC3)CC2)nc1	2
CCn1c(/C=C/N(C(C)=O)c2ccccc2)[n+](CC)c2cc(OC)ccc21	1
O=C(N[C@@H]1C[NH+]2CCC1CC2)c1cc(Br)cc2nc[nH]c12	1
COc1ccc(NC(=O)CC[N@@H+](C)Cc2ccccc2)c(OC)c1	1
Cc1cccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c1	1
ON=C1CC[NH+](Cc2ccccc2)CC1	1
Nc1cc(N)nc(Sc2ncnc3ccccc23)n1	0
COC(=O)CCN1CC[C@@H]([NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)C1=O	2
O=C(O[C@@H]1C[NH+]2CCC1CC2)c1cccc2nc[nH]c12	1
FC(F)(F)c1cc(N2CC[NH2+]CC2)c2ccccc2n1	1
O=C(CC[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(F)cc1	1
O=C1C[C@H](Nc2ccc([NH+]3CCCCC3)cc2)C(=O)N1Cc1ccccc1	1
CCC(=O)c1ccc2c(c1)N(C[C@H](C)[NH+](C)C)c1ccccc1S2	1
C[NH+]1CCN(c2ccccc2Cc2ccccc2)CC1	1
Cc1cc[n+](CCC[n+]2ccc(C)cc2)cc1	2
C[NH+]1CCC2(CC1)C[C@@H]1C[C@@H]3C=C[C@@]1(C[NH2+]2)O3	2
CC(=O)c1cc2c(cc1NC(=O)c1c(Cl)cnn1C)OCO2	0
O=C(NC[C@@H]1COCCN1)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1	0
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc(=O)[nH]c(=O)[nH]1	0
[NH3+]CC12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2	1
Nc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nc(N)nc(N)n2)cc1	-1
C[C@@H]1C(=O)CC[NH2+][C@@H]1c1ccccc1	1
COc1ccc(C(=O)NN2C(=O)c3ccccc3C2=O)cc1	0
C[NH+]1CCN(/N=C/c2nc(-c3ccccc3)n3ccccc23)CC1	1
COc1ccc(C2=[N+]3CCCCN3[C@@](O)(c3ccc(OC)cc3)C2)cc1	1
CC1CCN(C(=O)C[N@@H+]2CCc3nnc([C@@H]4CCC[NH2+]4)n3CC2)CC1	2
S=C(Nc1cccnc1)NC1CC[NH+](Cc2ccccc2)CC1	1
O[C@H](C#CC[NH+]1CCCC1)c1ccccc1	1
CC[NH+](CC)CCn1c(=O)[nH]c(=O)c2c1ncn2C	1
Cc1ccc(S(=O)(=O)N2CCC([N@H+](C)CCC(C)C)CC2)cc1	1
CC(C)(C)n1c[n+](-c2ccccc2)nn1	1
NC(=O)C[NH2+]C1Cc2ccccc2C1	1
O=C([C@@H]1CCCO1)N1CCN(C(=S)NCCc2ccccc2)CC1	0
CCN(CC)C(=O)CSc1nc(N)cc(N)[nH+]1	1
CC1=C[C@@H](C)C2(COC(C[NH+]3CCCCC3)OC2)[C@@H](C)C1	1
COC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)CCNC(=O)c1cccc(-c2c3cc(N)ccc3c3ccc(N)cc3[n+]2C)c1	2
COC(=O)c1ccccc1C(=O)c1ccc(OCC[NH+]2CCCCC2)cc1	1
CCCCCOc1ccc(CCNC(=[NH2+])NC(N)=[NH2+])cc1Cl	2
C[N@H+]1CCc2c(nnn2-c2ccccc2)C1	1
Cc1ccc(OC[C@@H](O)CN2C(=O)NC(C)(C)C2=O)c(Cl)c1	0
Fc1ccc([C@@H]2CCCN(CC[NH+]3CCCC3)c3cc(F)ccc32)cc1	1
O=C(CN1CCN(C(=O)C(=O)NC2CC2)CC1)NC(=O)NC1CC1	0
CC1(C)NC(=O)N(C[C@@H](O)COc2ccccc2)C1=O	0
CSc1nn(-c2ccccc2)c(C)[n+]1-c1ccccc1	1
COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@@H](CO)NC(N)=O)CC1=O	1
COc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1Cl	-1
CC[NH+]1CCC(COc2nc3ccsc3n3cccc23)CC1	1
COc1ccc2c(c1)c1c(n2C)C(=O)N(N(C)C)C1	0
CN(C)c1cccc(F)c1C(=O)NC(=O)Nc1ccc(Cl)cc1	0
COc1ccc2c3ccc4cc5c(cc4c3n(C)cc-2c1=O)OCO5	0
NC(=O)C1c2ccccc2C=Cc2ccccc21	0
C[NH+]1CCN(c2nc3c(N)ncnc3[nH]2)CC1	1
Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2	1
Oc1ccccc1C[C@@H]1CC2CC[NH+]1CC2	1
CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccc2cccnc12	1
C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccccc1	1
OCCN1CC[NH+]([C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)CC1	1
C[N+]1(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)CCCCC1	1
CC[C@@H](C#CC[NH+]1CCCCC1)OC(C)=O	1
Cc1cccc(Cl)c1Nc1ncnc(N)n1	0
O=C1N[C@H]2CCCCN2C12CC[NH+](CCCN1c3ccccc3CCc3ccc(Cl)cc31)CC2	1
COC(=O)c1cc(O)c(O)c(O)c1	0
Nc1c2c([nH+]c3cccc(F)c13)CCCC2	1
Cc1cc(C)[n+]2nc(C)sc2n1	1
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)CC1=O	2
COC[C@@H](C)[NH2+][C@@H]1CCc2ccccc2C1	1
Cc1ccc(N2C(=O)C[C@H]([NH2+]C3CCCC3)C2=O)cc1	1
CC(C)(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COc1ccccc1	1
C[NH+](C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1	1
COc1ccc([C@@](C#N)(CCC[NH+]2CCN(C(=O)c3ccco3)CC2)C(C)C)cc1OC	1
CC[NH+](CC)CCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)NCCC[NH+]1CCOCC1	2
CC(C)CCNC(=O)c1c[nH]c2ccccc2c1=O	0
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](CCc1ccc(O)cc1)[NH2+]C[C@@H](O)c1ccc(O)cc1	1
C[NH+](C)CCCn1c(N)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21	1
O=C1C[C@@H](c2ccccc2)Oc2cc([O-])ccc21	-1
CC(C)[NH2+]C[C@@H](O)c1ccc(O)c2ncccc12	1
C[N+]1(CC[C@](O)(c2ccccc2)c2cccs2)CCOCC1	1
CC[NH2+][C@H]1CCCc2nc3ccccc3c(N)c21	1
O=S(=O)([N-]c1cccc(F)c1)c1cccc2nsnc12	-1
CS(=O)(=O)N1CCC[C@@H](NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1	0
C[N@H+]1[C@H]2CC[C@@H]1CC(OC(=O)c1ccccc1)C2	1
Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2S(C)(=O)=O	1
CN(C)C1=NC(=O)[C@H](c2ccccc2)O1	0
C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(Cl)c([N+](=O)[O-])c1	2
CC(=O)Nc1cnn2c(C)nc3ccccc3c12	0
COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C[N@H+]1CCCC[C@@H]1C	1
Cc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)c3ccccc23)cc1	0
O=C1[N-]C(=S)NC(=O)C1=Cc1ccccc1O	-1
CC1CC[NH+]([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1	1
C[NH+](C)CCOC(=O)[C@@H](c1ccccc1)C1(O)CCCC1	1
O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCc1ccccc1	0
CCn1cc2[nH]c(N3CC[NH2+]CC3)ncc-2c1=O	1
COc1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c(C)c1C	1
C[C@H](C[NH+](C)C)[C@](C)(O)Cc1ccc(Cl)cc1	1
C[NH+](C)C[C@@H](O)[C@H](c1ccccc1)c1cccc(Cl)c1	1
C[NH+](C)Cc1cc(C(C)(C)C)cc(C[NH+](C)C)c1O	2
CCN(CC[NH+](C)C)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(C)cc2)c1	2
Cc1ccc(-c2ccc3[nH]cc(CC[NH+](C)C)c3c2)s1	1
[NH3+]CCCCNc1nc2c(=O)[nH]cnc2n1[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	1
OC1([C@@]2(O)C[C@@H](c3ccco3)NO2)CCCCC1	0
CN(C)C(=[NH2+])NC1=NC(=O)C(=Cc2ccc(N3CCC([NH2+]C[C@H](O)c4ccc(O)c(NS(C)(=O)=O)c4)CC3)cc2)S1	2
CCO[C@@H]1CN(C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1C[NH3+]	1
Cc1cc[n+](CCON2C(=O)c3ccccc3C2=O)cc1	1
NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	-1
COC1=C[C@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CC[N@H+]3C)CC1=O	1
COc1ccc2[nH+]ccc(NCC[NH+](C)C)c2c1	2
Cc1cccc(C)c1NC(=O)C[NH+]1CCCC1	1
CCOc1ccccc1C[NH+]1CCC(C(=O)N2CCCC2)CC1	1
[NH3+][C@@H](c1ccccc1)c1ccccn1	1
COc1ccccc1C(=O)N1CC[NH+](C(C)C)CC1	1
CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(Br)c2)C1	1
CCc1cc2c(Nc3cc[nH+]cc3)ncnc2s1	1
[NH3+]CC[NH+]=C(Nc1ccccc1)Nc1ccccc1	2
CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC(=O)N1CCNCC1	2
S=C(NC1CCCCC1)NN1CCOCC1	0
COC(=O)[C@@H](Cc1c(Sc2ccccc2[N+](=O)[O-])[nH]c2ccccc12)NC(=O)[C@@H](O)[C@H]([NH3+])CCCC[NH3+]	2
CC(C)C[C@@H]1C[NH2+]C[C@H]1C(=O)[O-]	0
CC1(C)C[C@@H](C(=O)COc2ccc3ccc(=O)oc3c2)CCO1	0
COc1ccc(OC)c([C@H](O)CNC(=O)C[NH3+])c1	1
C[C@@H]1CN(C(=O)CS(=O)(=O)CC(=O)N2CC(=O)N[C@H](C)C2)CC(=O)N1	0
c1ccc([C@H](CC2=[NH+]CCN2)c2ccccn2)cc1	1
Cc1cc(Nc2ccc3c(c2)OCCO3)c2ccc(Cl)cc2[nH+]1	1
COc1ccc([C@@H]2NC(=O)[C@H](C)S2)cc1OC	0
Cc1[nH+]ccn1C[C@@H]1CCc2c(c3ccccc3n2C)C1=O	1
CN(CCNS(C)(=O)=O)[C@H]1CCC[N@@H+](CCNS(C)(=O)=O)CC1	1
Cc1ccc([C@H](CC(=O)C(C)(C)C)c2c([O-])[nH]c(=O)[nH]c2=O)cc1	-1
COCC[NH+](C)CCCNC(=O)C(=O)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1	2
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccccc1	0
COc1cc(C(=O)NN=C(C)c2ccc(N)cc2)cc(OC)c1OC	0
O=S(=O)(Nc1ccncc1)c1ccccc1	0
O=C1Nc2ccccc2/C1=c1/sc2nc3ccccc3n2c1=O	0
COc1ccc([C@@H]2C(C(=O)[O-])=C(C)Oc3cc4c(cc32)OCO4)cc1	-1
COC(=O)c1ccc(C[NH+]2CCCC2)o1	1
O=c1ccc2[nH]cc(C3=CC[NH2+]CC3)c2[nH]1	1
Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)C1CC1	1
C[NH+]1CCN(NC(=O)c2cccc(F)c2)CC1	1
CCNc1nc(NCC)c(N)c(C)[nH+]1	1
Cn1ccnc1SCC(=O)c1cc2ccccc2oc1=O	0
CC(C)(C)c1cc(C(=O)N2CCC[NH2+]CC2)cc(C(C)(C)C)c1O	1
FC(F)(F)c1ccccc1CN1CCC([NH+]2CCCCC2)CC1	1
CN1CCC([NH2+]Cc2ccccc2F)CC1	1
CC[NH+](CC)CC(=O)Nc1c(C)cccc1C	1
CC[n+]1ccnc2cc3ccccc3cc21	1
Cc1cc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1[N+](=O)[O-]	1
CC[NH+](CC)C[C@@H](O)Cn1c2c(c3ccccc31)CCCC2=O	1
Nc1cc(Cl)c(NC2=[NH+]CCN2)c(Cl)c1	1
CC(C)(C)[NH2+]C[C@@H](O)c1ccc(O)c(CO)c1	1
CC(C)N1C(=O)CC2(CC[N+](C)(CCOC(=O)C(c3ccccc3)c3ccccc3)CC2)C1=O	1
CC[NH+](CC)CC(=O)Nc1c(C(=O)OC)[nH]c2ccc(C)cc12	1
Nc1cc(N)[nH+]c(SCc2nc(-c3ccccc3)no2)n1	1
O=c1c(C[NH+]2CCC3(C=Cc4ccccc43)CC2)coc2ccccc12	1
COc1ccc(CNC(=O)[C@@H]2CCC[NH2+]2)cc1OC	1
C[C@H]1Oc2ccc(Cl)cc2N(C[C@H](O)CO)C1=O	0
C=CCN1C(=O)N[C@@]2(O)C(=O)c3ccccc3[C@@]12O	0
C[C@H]1C/C(=N/Oc2ccccc2[N+](=O)[O-])[C@H](C)C[N@H+]1C	1
Cc1cccc(-c2nc(N3CC[NH+](C)CC3)c3ccccc3n2)c1	1
CN(C)C(ON1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)=[N+](C)C	1
S=C(NCCc1ccccc1)Nc1nccs1	0
Nc1cc(N)[nH+]c(SCc2ccccc2)n1	1
Cc1ccccc1OC[C@@H](O)C[NH+]1C(C)(C)CCC1(C)C	1
COc1ccc2c(c1)c1c(NC[C@H](C)C[NH+](C)C)[nH+]cc(C)c1n2C	2
Clc1ccc(N2C[C@@H]3CC[C@H](C2)[NH2+]3)nn1	1
N#Cc1cc(OC2CC[NH2+]CC2)c(OC2CC[NH2+]CC2)cc1C#N	2
CC(C)Sc1nnc(N)s1	0
CC1(C)OCO/C1=C\C[N+](C)(C)C	1
Cc1ccc2[nH]cc(CC[NH3+])c2c1	1
CC(C)(C)NC(=O)COc1ccc(C[NH2+]Cc2ccccn2)cc1	1
Cc1coc(CC[N+](C)(C)C)c1	1
O=C(Cn1cnc([N+](=O)[O-])c1)Nc1ccc(Cl)c(Cl)c1	0
O=C(c1ccc(F)cc1)C1CC[NH+](CCn2c(=O)[nH]c3ccccc3c2=O)CC1	1
C[C@@H](O)/C=C/c1ccc2ccccc2[n+]1C	1
CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)CCC(=O)NCCC[NH+]4CCOCC4)ccc3n2)CC1	2
NC(=[NH2+])NC=Cc1ccc(O)c(O)c1	1
O=C(Cc1ccccc1)Nc1ccc(F)cc1	0
NC(=O)CN1CCN(c2ccc3ccccc3n2)CC1	0
CC[NH+](CC)CCSc1nnc2c3ccccc3n(C)c2n1	1
O=c1oc(CC[NH+]2CCN(c3ccccc3)CC2)c(-c2ccc(F)cc2)o1	1
C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[N@@H+](C)CCO1	2
c1ccc(C[N+]2(C[C@H]3CO3)CC[N+](Cc3ccccc3)(C[C@H]3CO3)CC2)cc1	2
Cn1cc[n+](-c2ccc(C(=O)c3ccc(-[n+]4ccn(C)c4)cc3)cc2)c1	2
C[C@@H]1C[C@@H](OC(=O)C[NH+]2CCCCC2)CC(C)(C)C1	1
COCCN(CC[NH+](C)C)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1	2
Cc1cc2c(c(C)c1O)CCC(C)(C)[N+](=O)C2	1
[NH3+][C@H](C(=O)N1CC[NH+](C2CCCC2)CC1)c1ccccc1	2
Cc1c(N2CCCCC2)ccc2c(=O)c(C(=O)[O-])cn(C3CC3)c12	-1
N#Cc1c(-n2cccc2/C=N/NC(N)=S)sc2c1CCCC2	0
CC(C)(C)NC(=O)CSc1nnnn1-c1ccc(C(=O)[O-])cc1	-1
CC(=O)Nc1cccc(-c2cc(=O)c3ccccc3o2)c1O	0
C[C@@H](CCN1CCN(S(N)(=O)=O)CC1)N1CCN(S(N)(=O)=O)CC1	0
Cn1cc(S(=O)(=O)NCC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)cn1	1
C[NH+](C)CC#CC[N@H+]1CCC[C@@]2(CCOC(C)(C)C2)C1	2
CCOC(=O)n1c(=O)sc2cc(Br)ccc21	0
CC(=O)[n+]1ccc(-c2cc[n+](C(C)=O)cc2)cc1	2
O[C@H]1C[NH+](C2CCCCC2)C[C@H]1[C@@]1(O)CC[N@H+](C2CCCCC2)C1	2
CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1	-1
Cn1c2ccc(O)cc2c2c(NCCC[NH+](C)C)[nH+]ccc21	2
CCOC(=O)c1c(C)n(C)c2cc(C[NH+](C)C)c([O-])c(C[NH+](C)C)c12	1
CC[NH+]1CCC([NH2+]Cc2cccc(Br)c2)CC1	2
C[NH+](C)CCNc1cn[nH]c(=O)c1Cl	1
C[NH+](C)CCNc1ccc2c3c(nn2CC[NH3+])-c2cnccc2C(=O)c13	2
CCCC[C@@H]1CC(=O)[C@]2(O)O[C@@H]3[C@@H](NC)[C@@H](O)[C@@H]([NH2+]C)[C@H](O)[C@H]3O[C@@H]2O1	1
C[C@H]([NH3+])C(O)(c1ccccc1)c1ccccc1	1
CN(C)c1ccc(C[N+](=O)C(C)(C)/C=N/O)cc1	1
CC(C)N(CCCNC(=O)C[N@H+]1C[C@H](O)[C@H](O)C1)S(C)(=O)=O	1
Nc1cnc(-c2cc(Cl)cc(Cl)c2Cl)c(N)n1	0
COc1cc(C[NH2+]CCC[NH+](C)C)ccc1OCc1cccs1	2
Cc1cc(C(F)(F)F)cc(N(C)N[C@@H]2OC(=O)c3ccccc32)[nH+]1	1
COc1ccccc1NC(=O)N1CCN(C(=O)OC(C)(C)C)CC1	0
O=[N+]([O-])c1ccc(Cc2cc[n+](Cc3ccccn3)cc2)cc1	1
Nc1ccc[n+](Cc2ccccn2)c1	1
N=c1ccccn1Cc1ccccn1	0
CC(C)COC(=O)N(C)C1CC[NH+](C2Cc3ccccc3C2)CC1	1
COc1ccc(N2C(=N)NC(=[NH2+])NC23CCCC3)cc1	1
O=C([O-])/C=C/C(=O)Nc1cccc([N+](=O)[O-])c1	-1
C=CC(=O)N[C@@H]1c2c(cc3c(c2OC)OCO3)CC[N+]1(C)C	1
NS(=O)(=O)c1cc2ccncc2s1	0
O=C1C[C@@H]([NH+]2CCCCC2)C=C1Nc1ccccc1	1
NC(N)=[NH+]Nc1c2ccccc2[nH+]c2ccccc12	2
CCN(CC)C(=S)SC	0
CC(=O)O[C@@H](C[NH+]1CCCC1)C(C)(C)C	1
COc1c(O)cc2ccc3cc(O)ccc3c2c1OC	0
C[N@H+]1CCC[C@@H]1CCSc1ccccn1	1
CC(=O)Nc1ccc(C(N)=O)cc1Cl	0
C[NH+]1CCN(/C=N/c2ncc(C(F)(F)F)cc2Cl)CC1	1
COc1cc2c(cc1OC)C(C)=[N+](C)C(C)(C)C2	1
Cc1ccc(O[C@@H](C)c2nc(-c3nonc3N)no2)cc1C	0
O=C(COc1ccccc1)NC1CC[NH+](Cc2ccccc2)CC1	1
CC(=O)[C@H]1C[N@@H+](C)CC[C@@]1(C)O	1
Nc1ccccc1C(=O)OCC[C@@H]1CCCC[NH2+]1	1
Cc1nc(C)c(I)c(NN)[nH+]1	1
COc1ccc(OC)c(S(=O)(=O)NCCC(=O)[O-])c1	-1
Clc1ccc(-c2noc(CSC3=[NH+]C[C@@H]4CCC[C@@H]4N3)n2)cc1	1
O=CN1CCC(C(=O)NCC[NH+]2CCC(=C3c4ccccc4C=Cc4ccccc43)CC2)CC1	1
CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1	1
CNC(=O)/C=C(\c1ccccc1)c1ccc2nc(N)c(C(C)=O)n2c1	0