Cc1nc(C)c(N(C)C)nc1C	0
O=C(c1ccc(Cl)cc1Cl)N1CCC(c2cnc[nH]2)CC1	0
O=C(Nc1ccc(O)cc1)C(Cl)(Cl)Cl	0
CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCN1Cc2ccccc2C1=O	2
CN1CCN(C(=O)c2ccc(-c3ccc(Br)cc3)o2)CC1	0
COc1ccc(-c2nc3cc(C)ccc3o2)cc1NC(=O)c1ccco1	0
COc1ccc2[nH]c(C(=O)N3CCC(Cc4ccccc4)CC3)cc2c1	0
CC(C)C(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@@]1(O)C(F)(F)F	0
C[NH+](C)CCn1c(=O)c2ccc3c(=O)n(CC[NH+](C)C)c(=O)c4ccc(c1=O)c2c34	2
NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1	0
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@H](CO)O2)cc1C(F)(F)F	0
C1CC[NH+](CCC[NH2+]C2C3CC4CC(C3)CC2C4)C1	2
CCn1cc(S(=O)(=O)CC(=O)NC2CCCCC2)c2ccccc21	0
COc1ccc(C(C)=O)c(O)c1	0
Cc1ccc(C2=C/C(=C/c3ccc(C)c([N+](=O)[O-])c3)C(=O)O2)c(C)c1	0
CCNC(=O)[C@@H]1C[C@@H](n2cc(-c3ccc(C[NH+]4CCCC4)cc3)nn2)C[NH2+]1	2
Cc1noc(C)c1C(=O)N1CCC(C(=O)c2ccc(F)cc2F)CC1	0
O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(C[NH+]2CCCCC2)on1)NCc1ccc2c(c1)OCO2	2
CC(C)(C)NC(=O)N1CCN(c2nc(-c3ccccc3)ns2)CC1	0
Cc1ccc(S(=O)(=O)N/N=C/c2ccccc2O)cc1	0
COc1cc(SC)ccc1C(=O)Nc1cccc(C(F)(F)F)c1	0
COc1cc(C[NH2+]C(C)C)ccc1OC[C@@H](O)C[NH+]1CCSCC1	2
Cn1c(=O)cc2c3c(c(N4CCOCC4)ccc31)C(=O)c1ccccc1-2	0
C[N@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1	2
C[NH+]1CCN(c2ncccc2NC(=O)CCc2cc3n(n2)CCC[NH2+]C3)CC1	2
Cc1ncc(C[N@@H+]2CC[C@@H](C3CC[NH+](CC(C)C)CC3)C2)n1C	2
Cc1[nH+]ccn1-c1ccc(CN2C[C@@H]3C[C@@H](O)C[N@@H+]3C[C@@H]2C)cc1	2
O=Cc1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)o1	0
CC1(C)CN(C2=CCCC2=O)c2cc(C(F)(F)F)ccc2S1	0
Cc1ccc(C(=O)N2N=C(c3cccnc3)C[C@@]2(O)C(F)(F)F)cc1	0
COc1cccc(-c2csc(-c3cccnc3)n2)c1	0
O=c1cccc2n1C[C@@H]1C[C@H]2CN(S(=O)(=O)c2ccc(F)cc2)C1	0
CC(=O)Nc1ccc(/N=C/c2ccccc2OCc2ccccc2)cc1	0
CCOC(=O)c1sc2nc(-c3ccccc3OC)nc(C)c2c1C	0
C[C@@H](Cc1ccc(O)cc1)[NH+]1CCC([NH+]2CCC(C(=O)NC3CC3)CC2)CC1	2
Cc1c(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cnn1C	2
Nc1nc(C2CC([NH3+])C2)cc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)n1	2
Nc1ncnc2[nH]c(N3CCN(C(=O)c4ccccc4)CC3)nc12	0
CCCN(CC(=O)N[C@H](C=O)CCCNC(N)=[NH2+])C(=O)[C@H]1CCCC[NH2+]1	2
C[NH2+]CCNc1ccc2c3c(nn2CC[NH3+])-c2c(O)ccc(O)c2C(=O)c13	2
Cc1cc(Br)cc(C)c1NC(=O)c1ccccc1F	0
COc1ccccc1N1CCC([N@H+]2CC[C@@H]([NH+]3CCCCCC3)[C@H](O)C2)CC1	2
CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCC(O)CC3)C2=O)cc1	0
C[NH+]1CCN(Cn2c(=S)n(CN3CC[NH+](C)CC3)c3ccccc32)CC1	2
Cn1nc(C(=O)NC2CC[NH+](C)CC2)cc1C(=O)NC1CC[NH+](C)CC1	2
CC(=O)Nc1nc2ccc(NC(=O)c3ccc(N)cc3)cc2s1	0
Cc1n[nH]c(C)c1N1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O	0
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc([N+](=O)[O-])ccc1OC	0
CC1(C)O[C@H]2O[C@@H]([C@H](O)COC(=O)c3ccccc3)[C@@H](O)[C@H]2O1	0
COc1ccc2c(=O)cc(-c3ccccc3)oc2c1	0
Cc1cc(NC(=O)c2c(C)cccc2C)no1	0
N#Cc1cc2c(nc1S[C@H]1CC(=O)N(c3ccccc3)C1=O)CCC2	0
CC(=O)c1ccc2c(c1)C(=O)C1(CC1)O2	0
Cc1cc(=O)n2nc(C[N@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)sc2n1	2
CCN1C(=O)[C@@](O)(CC(=O)c2cccc3ccccc23)c2ccccc21	0
O=C(CNC(=O)c1ccc(Cl)cc1)NO	0
CCOc1ccc(NC(=O)c2cc(CC(C)C)nc3ccccc23)cc1	0
Cc1ccc(NCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1	0
O=C(Nc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1	0
Cc1cccc(SCC(=O)Nc2ccc(C3CCCCC3)cc2)c1	0
[NH3+]Cc1cn(C2CC[NH+](Cc3cccnc3N3CCOCC3)CC2)nn1	2
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
CS(=O)(=O)/C(C#N)=C/c1ccc(OCc2cc(F)cc(F)c2)cc1	0
O=C(C=Cc1ccccc1)OCC(=O)c1ccc(Br)cc1	0
Cc1cccnc1-n1c(C)nc2ccccc2c1=O	0
C[C@@H](O)[C@@H](O)c1ccc(C#N)nc1	0
Cc1ccc2nonc2c1[N+](=O)[O-]	0
Cc1cc(C(=O)C(C#N)=NNc2cccc(Cl)c2)n(C(C)(C)C)n1	0
O=C1c2ccccc2-c2nc3nonc3nc21	0
Cc1nc(-c2noc(C)n2)no1	0
O=C(NN1CCc2ccccc2C1)Oc1ccc(Cl)cc1	0
O=C1CCCC2=C1[C@H](c1ccccn1)c1c(ccc3ncccc13)N2	0
C[NH+]1CCC(C)(C(=O)N2CCC[C@@H](Cn3cc(C(C)(C)[NH3+])nn3)C2)CC1	2
CC[NH+]1CCN(C(=O)c2ccc(N3CCC([NH+]4CCC(OC)CC4)CC3)cc2)CC1	2
COc1ccc([C@@H]2CNC(=O)C2)cc1OC1CCCC1	0
C=CCn1c(N)c(C(=O)OC)sc1=S	0
O=C(N[C@H]1C[NH+]2CCC1CC2)c1c[n-]c2ccsc2c1=O	0
O=c1[nH]nc(-c2cccnc2)c2ccccc12	0
C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CC[NH2+]2	1
COc1ccc(CNC(=O)CSc2nc3ccccc3[nH]2)cc1	0
COc1ccc2[nH+]c3ccccc3c(NCC[NH2+]CCO)c2c1	2
C[NH2+]CCC[C@H](C)Nc1cc[nH+]c2cc(Cl)ccc12	2
Cc1cc(-c2cnc(N3CC[NH+](C)CC3)nc2[C@@H]2CCCN(c3cc(C)[nH+]c(N)n3)C2)on1	2
Cc1n(C)c2ccccc2[n+]1CCOCC[n+]1c(C)n(C)c2ccccc21	2
O=C(Cn1cncc1-c1ccc([N+](=O)[O-])cc1)N1CCOCC1	0
C[NH+]1CCN(Cc2ccc(C(=O)N3CCC([NH+]4CCC(O)CC4)CC3)o2)CC1	2
O=C1OC(c2ccc(F)cc2)=N/C1=C/c1ccccc1Br	0
[NH3+]CCn1cc(C(=O)NCc2cc3n(n2)CC[N@H+](C2CCCCC2)C3)nn1	2
CNc1c2c(nn1C)CCCC2	0
O=C(CCN(CCC[NH+]1CCCCC1)S(=O)(=O)c1ccccc1)N1CC[NH2+]CC1	2
CN(C)c1nc(N2CC[NH+](C3CCCCC3)CC2)nc2c1C[NH2+]CC2	2
CC(=O)OC(OC(C)=O)c1ccc([N+](=O)[O-])s1	0
Cc1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1	0
CCOC(=O)c1oc2cc3c(C)c(C(=O)OCC)oc3cc2c1C	0
O=C(CSc1nnnn1-c1ccccc1)N1CCNC1=O	0
CCOC(=O)C(CC#CC[NH+](C)C)(CC#CC[NH+](C)C)C(=O)OCC	2
Cc1nn2cc(CCNC(=O)[C@@H]3CC4(CC[NH2+]CC4)C[N@@H+]3C)nc2s1	2
CCn1c(-c2ccc(Cl)cc2)n[nH]c1=O	0
CCOC(=O)C1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1	0
CSc1nc(-c2ccccn2)nc(N)c1C#N	0
O=C(Nc1ccccn1)c1nc2ccccc2[nH]1	0
Nc1c2c([nH+]c3cccc(F)c13)C1CC(C2)C1	1
O=C(c1ccc(F)cc1)N1CCN(c2cccc(Cl)c2)CC1	0
CCc1ccc(N[C@H]2CC(=O)N(c3ccc(Cl)cc3C)C2=O)cc1	0
O=C(CN1C(=O)c2ccccc2C1=O)NC[C@@H]1CCCO1	0
CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1	0
O=C(CCN(CCC[NH+]1CCCC1)C(=O)c1cccc(Br)c1)N1CC[NH2+]CC1	2
Nc1cc(Cl)nc(SCc2ccccc2)n1	0
COc1cc(-c2n[nH]cc2C[NH+]2CCC([C@@H](C)[NH+]3CCOCC3)CC2)cc(OC)c1OC	2
O=C(CC[C@H]1C[N@@H+](Cc2ccncc2)CC[C@H]1N1CCOCC1)NCC[NH+]1CCCCC1	2
[NH3+][C@H](C(=O)[O-])C1CCC(O)CC1	0
COc1ccc(-c2cnc(-c3c(O)c(C)nc4ccccc34)o2)cc1	0
N#Cc1c(N)[nH]c(=S)c(C(N)=O)c1-c1cccc(Br)c1	0
Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1)C(C#N)=C(N)O2	0
NC(=O)c1cc(-c2ccccc2)sc1NC(=O)CN1CCCCC1	0
COc1cc2cc[n+]3c(c2cc1OC)-c1c2cc(OC)c(OC)cc2cc[n+]1CC3	2
O=c1[nH]c2cc(Cl)c(-n3cccc3)cc2[nH]c1=O	0
C[C@H](C(=O)NC1CCCCC1)c1ccncc1	0
CCOC(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1	0
C[n+]1ccc2ccccc2c1-c1c2ccccc2cc[n+]1C	2
O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccccc1	0
C[N@H+]1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	1
O=c1cc2nc3[nH]c4ccccc4c3nn2c(=S)[nH]1	0
Cn1c(SCC[NH+]2CCCC2)nnc1[C@@H]1CCC[NH2+]1	2
Cc1cc(Br)ccc1OCC(=O)Nc1cccc(C#N)c1	0
CN1CCN(Nc2[nH+]cnc(NC3CC(C)(C)[NH2+]C(C)(C)C3)c2N)CC1	2
CC(=NNC1=[NH+]CCN1)c1cn(C2=[NH+]CCN2)nc1C	2
CC(=O)N[C@@]1(C(Cl)(Cl)Cl)Oc2ccc(Cl)cc2O1	0
CCOC(=O)CN1CC[NH2+]CCN(CC(=O)OCC)CC[NH2+]CC1	2
COc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1S(=O)(=O)NCC[NH+](C)C	2
CC(=O)Nc1nnc(-c2ccc(Cl)cc2Cl)s1	0
COc1ccc(OC)c(Nc2nc3nonc3n3nnnc23)c1	0
CC(C)(C)OC(=O)CN1CC[NH2+]CCNCC[NH2+]CC1	2
C[NH+](C)CCN(C[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C(=O)Cn1cncn1	2
CCSc1nc2ccccc2n1CC(=O)Nc1c(C)cccc1C	0
COc1ccc2cc(C(=O)Nc3cc(C)on3)sc(=O)c2c1OC	0
Nc1ccccc1/C=[NH+]\CC/[NH+]=C/c1ccccc1N	2
CCC[NH+]1CCC(NC(=O)C[C@@H]2C(=O)NCC[N@@H+]2Cc2cccc3ccccc23)CC1	2
C[NH+](C)CCOc1ccccc1-c1nc(-c2ccccc2)no1	1
C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc(=O)n2ccsc2n1	2
CCN(CC)C(=O)CSc1ccc(Cl)nn1	0
c1cc(C2=[NH+]CCN2)ccc1OCOc1ccc(C2=[NH+]CCN2)cc1	2
Cn1c2ccccc2c2cc3ccccc3c[n+]21	1
CCc1cccc(OCC(=O)NC(c2ccccc2)c2ccccc2)c1	0
C[NH+]1CCN(C(=O)C[C@@H]2CC[NH2+]C[C@@H]2Cc2cc(COc3ccccc3)on2)CC1	2
O=c1[nH]c(=O)n(C[C@@]2(CO)C[C@@H]2CO)cc1C=CBr	0
CCOC(=O)N1N=CC[C@@H]1C	0
NC(=O)c1ccccc1NC(=O)Nc1ccc(Cl)c(Cl)c1	0
C[N@H+]1CCCN(c2ncccc2C[NH2+]C[C@H]2CC=CCC2)CC1	2
C[C@@H](C[NH+](C)C)Oc1ccc(O[C@@H](C)C[NH+](C)C)c2c1C(=O)c1ccccc1C2=O	2
O=S1(=O)N=C(N/N=C/c2ccccn2)c2ccccc21	0
O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(C(F)(F)F)cc1	0
COc1ccc(/C=C/C(=O)NC2CCCCC2)cc1	0
O=C1c2ccccc2C(=O)N1CCCC(=O)N1CCc2ccccc21	0
Cc1ccc(NC(=O)c2cnccn2)c(Br)c1	0
O=C(Nc1ccc(C2=[NH+]CCN2)cc1)Nc1ccc(C2=[NH+]CCN2)cc1	2
COc1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1	0
C[NH+](C)CCn1c(=O)c(C[NH+]2CCN(c3ccccn3)CC2)cc2ccc(F)cc21	2
COc1cc(C(=O)NC(=S)Nc2ccccn2)cc(OC)c1OC	0
O=C([O-])/C=C/C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	0
CCOC(=O)c1c(NC(=O)CN(C)C2CC[NH+](C)CC2)sc2c1CC(C)(C)[NH2+]C2(C)C	2
O=C(NCc1ccccc1)c1cc(C(=O)NCc2ccccc2)ncn1	0
C[NH+]1CCC(N2CCC(O)(c3ccc(Br)cc3)CC2)CC1	1
COC(=O)c1ccc(C[NH2+]CCCN2CC[NH+](C)CC2)o1	2
O=C(CCc1cc2n(n1)CCC[NH2+]C2)N1CCC[N@H+]([C@H]2COC[C@@H]2O)CC1	2
CCc1c(C)sc(NC(=O)c2ccncc2)c1C(=O)OC	0
O=S(=O)(Cc1ccccc1)[N-]c1nc2ccccc2s1	-1
Cc1ccnc2c1C(=O)c1nccc(Cl)c1C2=O	0
CN(C)c1cc[n+](CC(O)C[n+]2ccc(N(C)C)cc2)cc1	2
NC(=O)c1ccc([N+](=O)[O-])cc1Cl	0
CSc1ccc(NC(=O)N(Cc2ccco2)C[C@H]2CCCO2)cc1	0
O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)COC[C@@H]1CCCO1	2
NC(=[NH2+])c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(N)=[NH2+])cc3)c(N)c2)cc1	2
Cn1cc(C[NH+]2CCC3(CC2)C(=O)N(CCC[NH+](C)C)C(=O)N3CCc2ccccc2)cn1	2
O=C1N[C@H](C[N@@H+]2CCC[C@H](O)C2)C(=O)N[C@@H]1C[NH+]1CCC[C@H](O)C1	2
OCC[C@H]1CN(c2ncnc3c2CC[NH2+]CC3)CC[N@H+]1Cc1ccoc1	2
O=c1n(CC[NH+]2CCC(C[NH+]3CCOCC3)CC2)nc2ccccn12	2
O=C(NCc1cccnc1-n1cncn1)[C@@H]1CC2(CC[NH2+]CC2)C[NH2+]1	2
O=C(NCCc1ccccc1)C1CC[NH+](C2CC[NH+](CCCn3cccn3)CC2)CC1	2
CN1CCN(c2ncc(Cn3ccnc3)s2)CC1	0
Cc1cccc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)c1	0
c1ccc(CN2CCCc3ccccc32)nc1	0
C/N=C1\S[C@@H](C(=O)Nc2ccccc2F)CC(=O)N1C	0
O=C(c1c[nH]c2ncccc12)N1CCc2ccccc21	0
C[C@@H]1C[C@@]2(C)Oc3ccccc3C[C@H]2[C@H](C)[C@@H]1C[NH2+]CCC[NH+](C)C	2
COC(=O)c1sccc1OCc1nnc(-c2ccc(OC)cc2)o1	0
C[NH+]1CCC(N2CCC[C@@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)CC1	2
COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC2CCCC2)cc1	0
COc1cccc([C@]2(O)CC[S@+](C)C[C@@H]2C[N+](C)(C)C)c1	2
Cc1ccc(-c2csc(Nc3ccc4c(c3)OCO4)n2)cc1C	0
Cc1nc(N)c(C[n+]2cc(CSc3ccccc3)c(N)nc2C)c[n+]1C	2
NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N2	0
O=C(NCc1ccccn1)c1ccc(NC(=O)c2cccs2)cc1	0
Cc1cc2nc(CNC(=O)[C@H]3CCC[N@H+](C4CC[NH+](C)CC4)C3)[nH]c2cc1C	2
O=NN1CC[N+]2(CC1)CC[N+]1(CCN(N=O)CC1)CC2	2
NC(=[NH2+])NC(=[NH2+])Nc1cccc(S(=O)(=O)N2CCOCC2)c1	2
CCOc1ccc(NC(=O)[C@@H]2CC(=O)NC(N3CCN(C)CC3)=N2)cc1	0
C[N+](C)([NH3+])CCOC(=O)[C@@](O)(c1ccccc1)C1CCCCC1	2
Cc1cccc(C[NH+]2CCC([NH+]3CCCC3)CC2)c1	2
CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1	0
CCOc1ccc(N2C(=O)C[C@H](Cc3ccc(Cl)cc3)C2=O)cc1	0
COC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1ccc([N+](=O)[O-])cc1	0
O=C(c1cccs1)c1no[n+]([O-])c1C(=O)c1cccs1	0
C[C@@H](Nc1nc2nonc2nc1N1CCCC1)c1ccccc1	0
CN(C)c1ncnc2c1ncn2Cc1ccccc1	0
CCCn1ncc(CN2CCO[C@@H](CC[NH+](C)C)C2)c1C	1
Fc1cccc(CSc2nnnn2-c2ccc3c(c2)OCO3)c1	0
Clc1ccc(CSc2ccccc2/N=C/c2cccs2)cc1	0
COCCc1nc(CNC(=O)[C@@H]2CC3(CC[NH2+]CC3)C[NH2+]2)no1	2
COc1ccc(NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1	0
CC(C)[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)N3CC[NH+](C4CCCC4)CC3)co2)CC1	2
Nc1ccc(S(N)(=O)=O)cc1	0
Clc1ccc(COn2nnc3ccccc32)c(Cl)c1	0
COc1ccc(/C=N/c2ccc(Br)cc2)c2ccccc12	0
Cc1ncc(CN2CCN(c3cnn(C)c(=O)c3)CC2)n1C	0
Cc1cc(N2CC[NH+](C)CC2)cc([C@@H]2CCN(C(=O)c3cnn(C)c3)C2)[nH+]1	2
COc1ccc(C)cc1NC(=O)Cn1c(=O)oc2cc(Cl)ccc21	0
CCCC[NH+]1CCOCCOCC[NH+](CCCC)CCOCCOCC1	2
Cc1[nH]c2ccccc2c1CCNC(=O)c1cc(F)c(F)cc1Cl	0
[NH3+]CC(C[NH+]1CCCCC1)(c1ccccc1)c1ccccc1	2
O=C(Cc1cccs1)Nc1ccc(-c2nc3ccccc3o2)cc1	0
COc1cc(CNC2CC[NH+](C)CC2)cc2c1OCCO2	1
CCCC(=O)NCc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1C	0
CC(C)=CC[NH+]1CCC2(CC[C@@H](CNC(=O)c3cn(CC[NH3+])nn3)O2)CC1	2
Nc1ccc(S(=O)(=O)c2ccc(N)cn2)cc1	0
C[N+]1(CCNC(=O)C(=O)NCC[N+]2(C)CCCCCC2)CCCCCC1	2
CC(=O)N(c1ccc(C2CCCCC2)cc1)c1nc(C)cc(C)c1C#N	0
CCOC(=O)[C@]12CCC[NH2+][C@@H]1CCN(C(=O)c1cn(CC[NH3+])nn1)C2	2
Nc1nc(F)cc(Oc2ccc(I)cc2)n1	0
O=C1c2cccc3cccc(c23)C(=O)N1c1nc2ccccc2s1	0
c1cncc(Cc2nnc3n2CC[N@H+](Cc2cc4n(n2)CCC[NH2+]C4)CC3)c1	2
Cc1ccccc1C(=O)Oc1ccc(OC(=O)c2ccccc2C)cc1	0
Cc1ccc2oc(-c3cccc(NC(=O)c4cccs4)c3C)nc2c1	0
O=C1c2ccccc2CN2C(=O)c3ccccc3CN12	0
CC(C)[NH+]1CCC(N2CC[N@@H+](CCCn3cccn3)C[C@@H]2CCO)CC1	2
O=[N+]([O-])c1ccc([O+]=NN(O)N2CC[NH2+]CC2)c([N+](=O)[O-])c1	2
O=[N+]([O-])c1cc2nc(Cl)[nH]c2cc1Cl	0
CC1(C)O[C@@H]2CO[C@@]3(CNC(=[NH2+])NC(N)=[NH2+])OC(C)(C)O[C@@H]3[C@@H]2O1	2
CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1	0
CC1(C)[NH+]=C(N)NC(NCCCOc2ccc([N+](=O)[O-])cc2)=[NH+]1	2
CC(C)c1[nH+]ccn1CC(=O)N1CCc2nc([C@@H]3CCC[NH2+]3)ncc2C1	2
CN(/N=C/c1ccccc1F)C1=NS(=O)(=O)c2ccccc21	0
CC[NH+]1CCN(CCC[NH2+][C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1	2
O=c1[nH]c(SCc2ccc(Cl)cc2Cl)nc2ccccc12	0
c1ccc(Nc2nc3nonc3n3cnnc23)cc1	0
CC[C@@H]1CCCCN1C1=C(Cl)C(=O)N(c2ccc(OC)cc2)C1=O	0
CCn1ccnc1C[N@H+]1CCC[C@H](CCC(=O)N(C)C2CC[NH+](C)CC2)C1	2
COC(=O)C(C(=O)OC)c1c([N+](=O)[O-])c(=O)n(C)c2ccccc12	0
Cc1nc(CNc2nc(N)nc3c2CC[N@H+](C2CC[NH2+]CC2)CC3)no1	2
C[C@@H]1C[NH+]=C(c2ccc(NC(=O)Nc3ccc(C4=[NH+]C[C@@H](C)N4)cc3)cc2)N1	2
O=c1[nH]c2c(n3ccnc13)Cc1c(-c3ccccc3)cccc1-2	0
O=c1cnn2c(=O)/c(=C\c3ccccc3Cl)sc2n1	0
NS(=O)(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1	0
CCn1cc(C(=O)Nc2ccc(C(C)C)cc2)c(=O)c2ccc(C)nc21	0
CC(C)(C(=O)c1cccnc1)c1cccnc1	0
C[NH2+]CCC[NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OC)c1	2
Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1)SCC(=O)N2	0
CC1=C(Cl)C(=O)O[C@@]1(C)C[NH+](C)C	1
C[NH+]1CCN(c2nccc(CN3C[C@@H]4CCC[N@H+]4C[C@@H]3CCO)n2)CC1	2
C[NH+](C)CCOC(=O)N[C@@H](OCC[NH+](C)C)C(Cl)(Cl)Cl	2
COc1cccc(C(=O)Nc2cccc(-c3cn4ccccc4n3)c2)c1	0
CCCC(=O)N1c2c(C)cccc2[C@@H](Nc2ccccc2C)C[C@@H]1C	0
NC(=O)COc1cc(OCC(N)=O)c2c(c1)oc(=O)c1ccccc12	0
Cc1nn2cc(CCNC(=O)[C@@]34C[NH2+]C[C@@H]3C[N@H+](C)C4)nc2s1	2
COC(=O)CCC(=O)N1CCC[C@@H]([N@@H+](C)CCC[NH+](C)C)C1	2
NC(=O)c1ccc(NC(=O)Cc2ccc(Br)cc2)cc1	0
COc1ccc(CCCC(=O)Nc2cc(Cl)ccc2OC)cc1C	0
COc1cccc(C(=O)Nc2ccc(C(C)=O)cc2)c1	0
C[NH+]1CCC[C@@H]1CCNC(=O)[C@@H]1C[C@H](COc2cccnc2)C[N@@H+](Cc2ccncc2)C1	2
COc1cc(OC)cc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[NH+]2CCCCC2)c1	2
O=C1NC(=O)c2cc([N+](=O)[O-])c(SCc3ccc(Cl)cc3)cc21	0
C/C=C1\[C@H]2CCC[C@]1([NH3+])c1ccc(=O)[nH]c1C2	1
Cc1nnc(SCCNC(=O)C23C[NH2+]CC2C[NH2+]C3)s1	2
Cc1nc(C)c(-c2nnco2)cc1-c1nnco1	0
Cc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)c(C)c1	0
Cc1[nH+]ccn1-c1ccc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CCO)cc1	2
C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccccc1	0
CC(C)Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1	0
Cc1cc2c(=O)n(Cc3cccc(Oc4ccccc4)c3)cnc2s1	0
COc1ccc(-c2cc3c(OC)cc(OC)cc3[nH]c2=O)cc1	0
Cc1ccc(OCC(=O)Nc2ccc(C)cc2Br)cc1	0
O=C(COC(=O)c1ccco1)OCN1C(=O)c2ccccc2C1=O	0
CC[NH+](CC)CCC[NH2+]Cc1cn(C)c(=O)n(C)c1=O	2
C[N@H+]1CC[C@@]2(C)C[C@H](Cc3ccc(O)cc32)C1	1
Cn1c2ccccc2c2nnc(SCC(=O)c3ccccc3)nc21	0
Cc1nn(C(=O)c2ccn(C)n2)c(C)c1Cl	0
C[C@@H]1[C@H]2C(=O)c3ccc(O)cc3[C@]1(C)CCN2CC1CC1	0
COc1cccc(/C=C2\C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)c1	0
C[NH+]1CCN(CCCN(CCC(=O)N2CC[NH2+]CC2)S(=O)(=O)c2cccc(F)c2)CC1	2
[NH3+]CCCc1nc2ccc(-c3ccc4nc(CCC[NH3+])[nH]c4c3)cc2[nH]1	2
Cc1nn(-c2ccccc2)nc1CNC(=O)C1=Cc2ccccc2OC1	0
CCOc1c(/C=C2/C(=O)N(c3ccccc3)N=C2C)cccc1OC	0
COc1ccc(-c2csc(=S)s2)cc1	0
CCOC(=O)c1cc(-c2csc(CS(C)(=O)=O)n2)on1	0
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccnc1)N2	0
C[NH+](C)CCC(=O)C(=Cc1ccco1)C(=O)CC[NH+](C)C	2
O=C(Nc1nccs1)c1ccccc1[N+](=O)[O-]	0
O=C1C=CC2(C=C1)CC1(CCCCC1)N=C2SCc1ccccc1	0
CCOC(=O)c1nn(-c2ccc(OC)cc2)/c(=N/C(C)=O)s1	0
CCOC(=O)c1nn(-c2ccccc2[N+](=O)[O-])/c(=N/C(C)=O)s1	0
Cn1cnnc1-c1cccc(F)c1	0
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(N(CCO)CCO)cc1	2
Cn1nc(C(=O)Nc2ccccc2)cc1C(=O)Nc1ccccc1	0
Nc1nnnn1N=Cc1c[nH]nc1-c1ccccc1	0
C[N+](C)(C)CC(=O)OCCOCCOC(=O)C[N+](C)(C)C	2
Cc1cccc(CSCc2ccc(C(=O)NC3CCCCC3)o2)c1	0
Cn1c(C[N@@H+](C)CCN2CC[NH2+]CC2)cc(=O)n(C)c1=O	2
CC[NH+](CC)Cc1cnc2c(C(=O)N3CC[N@@H+](C)[C@@H](CCO)C3)cnn2c1	2
O=C(CSc1nnc(-c2ccco2)o1)Nc1cccc([N+](=O)[O-])c1	0
C(=C/CSC1=[NH+]CCN1)\CSC1=[NH+]CCN1	2
COc1ccc(N2CN=c3s/c(=C\c4ccco4)c(=O)n3C2)cc1	0
[NH2+]=C1NC[C@@H]2c3ccccc3Cc3ccccc3N12	1
O=[N+]([O-])c1ccc(/C=N/NC2=NS(=O)(=O)c3ccccc32)o1	0
COc1ccc2nc3n[nH]c(C)c3c(Cl)c2c1	0
CCOC(=O)c1nn(-c2ccc3c(c2)OCO3)cc1O	0
CC(C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCc1ccccc1[C@@H]2NC(=O)C[NH3+]	2
C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1nnnn1-c1ccccc1	2
CCOc1ccc(-n2cnnn2)cc1S(=O)(=O)N1CCCCC1	0
COc1ccc(/C(C)=N/O)c(OC)c1OC	0
CN(C)c1ccc(NC(=O)c2c(Cl)ccc(Cl)c2Cl)cc1	0
NC(=[NH2+])c1cc2nc(-c3cccc(O[C@@H]4CC[NH2+]C4)c3O)[nH]c2cc1F	2
COc1cc(OC)c(OC)cc1C[NH2+]C1CCN(C)CC1	1
O=[N+]([O-])c1ccc(-c2nnn(CNc3ccc(Cl)cc3)n2)cc1	0
C[NH+](Cc1cccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1)Cc1cnccn1	2
C[N@H+]1CCCN(C(=O)c2nc3sccn3c2C[NH2+]C[C@@H]2OCCc3ccccc32)CC1	2
COc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)c(OC)c1	0
CCOC(=O)Nc1cccc2nsnc12	0
COc1cccc2c1Oc1cc([N+](=O)[O-])cc(C#N)c1C=C2	0
C[NH+](C)CCCNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	2
O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(F)cc1	0
Nc1cc(=O)n(Cc2ccccc2)c(=O)n1-c1cccc([N+](=O)[O-])c1	0
Cc1nn(C)c(Cl)c1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1	2
Cc1ccc(-n2c(SCC(N)=O)nc3c(c2=O)SCC3)cc1	0
NS(=O)(=O)c1ccc(NC(=S)N2CCc3ccccc3C2)cc1	0
Cc1cc2c(cc1C)N[C@@H](CC(=O)NCc1ccccc1)C(=O)N2	0
Cn1cc(C[N@H+]2CCO[C@@H](CC[NH+](C)C)C2)c(-c2ccccc2)n1	2
O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc2ccccc2c1	0
CC(=O)/C=C/c1ccc(O)c(O)c1	0
Cc1c(C)n(CC[NH+](C)C)c2ncn(CC[NH+](C)C)c(=N)c12	2
Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1	0
O=C(NC1(C(Cl)(Cl)Cl)OCCO1)c1ccc(F)cc1	0
CC[NH+]1CCN([C@@H](C[NH3+])c2cc(Br)cs2)CC1	2
O=C(Nn1cnnc1)NC1(C(F)(F)F)Oc2ccccc2O1	0
[NH3+]CCn1cc(C(=O)N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)nn1	2
COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCCc2ccccc21	0
Fc1ccc(CSc2nncn2NCc2ccc(Cl)cc2)cc1	0
COc1cc(N)c(Cl)cc1C(=O)NCc1ccncc1	0
NC(=[NH2+])NN=C(C[n+]1ccccc1)c1ccc([N+](=O)[O-])cc1	2
CC[C@@]1(c2ccccc2)Oc2cccnc2-n2cccc2C1=O	0
C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NC(C3CC3)C3CC3)C2)CC1	2
CN1C(=O)[C@@H]2[C@@H]([NH+]=C(N3CC[C@H]([NH3+])C3)N2Cc2ccccc2)N(C)C1=O	2
CCN1C(=O)N[C@@H](c2ccccc2[N+](=O)[O-])C(C(=O)OC(C)C)=C1C	0
O=C1OCC[C@@H]2[C@@H]1[C@H]1CCC[N@@H+]1C21CC[NH+](Cc2ccccc2)CC1	2
COCc1cc(C)nc(SCC(=O)c2ccc(C)cc2C)c1C#N	0
C1CC[NH+](C[C@@H]2CO[C@H](C[NH+]3CCCCC3)CO2)CC1	2
COc1ccccc1NC(=O)Cn1cnc([N+](=O)[O-])n1	0
Oc1ccc(F)cc1C1=NN[C@@H](c2cc(Cl)cc3c2OCOC3)C1	0
CN(C)c1nc2c(c(N[C@H]3COC[C@@H]3N3CC[NH+](C)CC3)n1)CC[NH2+]C2	2
O=C(c1ccccc1)N1NC(C(F)(F)F)=C[C@@]1(O)C(F)(F)F	0
O=C(c1ccccc1)c1no[n+]([O-])c1C(=O)c1ccccc1	0
C[C@H]1CN(C(=O)c2ccccc2F)/C(=N/c2ccccc2Cl)S1	0
NON1[C@@H](c2ccccc2)CC(c2ccccc2)C[C@@H]1c1ccccc1	0
Cc1cc(=O)oc2ccc(OCC(=O)N3CCOCC3)cc12	0
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CNc1ccccc1	0
COc1ccc(CC(=O)Nc2ccc3c(c2)OCCO3)cc1OC	0
O=C1C[C@@H](c2nc(-c3ccccc3)cs2)C2(CCCCC2)O1	0
O=C1Nc2ccc(Cl)cc2[C@](C#Cc2ccccc2)(C2CC2)N1	0
O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1Cl	0
C[C@@H](Oc1ccccc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	0
CCOC(=O)Cn1nc(C(F)(F)F)cc1C	0
CC(C)(C)c1ccc(C(=O)Nc2ccccc2OC(F)(F)F)s1	0
COc1ccccc1NC(=S)NCc1csc2ccccc12	0
COc1ccc2c(C)c(-c3ccc(Cl)cc3Cl)c(=O)oc2c1	0
C[n+]1c2ccccc2nc2ccc(N[C@@H]3CCCC[C@@H]3[NH3+])cc21	2
C[C@@H]1Nc2ccc(Cl)cc2S(=O)(=O)N1	0
C=CCn1c(SCc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2C	0
Cc1ncccc1C(=O)N[C@H]1CCc2ccccc2C1	0
[NH3+]CC1CCC(C(=O)Oc2ccc(CCC(=O)[O-])cc2)CC1	0
CCOC(=O)C1CN(C2CCCCC2)C(=O)C1=Nc1ccc(F)cc1	0
COc1cc(C(=O)Nc2ccc3[nH]nnc3c2)cc(OC)c1OC	0
Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc3ccccc3[nH]2)c(C)c1	0
CC[NH+](CC)C[C@@H](O)COc1cc(CN2CC[NH+](C)CC2)ccc1OC	2
O=C(NCCc1cnc[nH]1)[C@H]1C[NH2+]C[C@@H](COc2cccc(C(F)(F)F)c2)C1	1
CN(Cc1nc(-c2ccccn2)no1)C(=O)[C@@H]1CC2(CC[NH2+]CC2)C[NH2+]1	2
O=C(c1ccccc1)n1cc([N+](=O)[O-])cn1	0
CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCC(C)C	0
OCC[C@@H]1CN(c2ncnc3sc4c(c23)CC[NH2+]C4)CC[N@H+]1CC1CC1	2
COc1cc(C(=O)NCCCn2cc[nH+]c2C)ccc1OC1CC[NH+](C)CC1	2
CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2c(N)scc12	0
Nc1ccc(-c2cc(=O)c3cc(O)ccc3o2)cc1	0
Cn1c(CN2CCC(O)CC2)nnc1[C@@H]1CCC[N@@H+](CCO)C1	1
C[n+]1ccc(/C=C/c2cccs2)cc1	1
CN(C)/C=C/C(=O)c1nnn(C2CCCCC2)c1NC1CCCCC1	0
Cc1ccc(OC(=O)Cn2c(=O)sc3cccc(Cl)c32)cc1C	0
O=C(Nc1ccccc1)c1cccc(OCc2cccc(Cl)c2)c1	0
COC(=O)c1ccc(NC(=O)CNc2cc(Cl)ccc2OC)cc1	0
Nc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1	0
CN1CNS(=O)(=O)c2cnccc21	0
C[N@H+]1[C@H]2CC[C@@H]1CC(OC(=O)CC[NH+]1CCCC1)C2	2
C[NH+](C)C1CCN(CCNC(=O)Cn2nc3n(c2=O)CCCCC3)CC1	1
C[NH+]1CCN([C@H]2C[N@@H+](Cc3ccc(-n4cncn4)cc3)C[C@@H]2O)CC1	2
Oc1ccccc1-c1nnco1	0
O=C(C[N+]12CC[N+](CC(=O)Nc3ccc4c(c3)OCCO4)(CC1)CC2)Nc1ccc2c(c1)OCCO2	2
Cc1nnc(SC(c2ccccc2)c2ccccc2)s1	0
O=[N+]([O-])c1cc2c(cc1/C=N/c1ccc(Cl)c(Cl)c1)OCO2	0
Cc1ccc2c(c1)c1c3n2CC[NH2+][C@H]3CCC1	1
C[N@H+](Cc1ccccc1)Cc1cccn1CC[NH+]1CCOCC1	2
CC(=O)Oc1cc(C)cc2c1C1=C(CC[C@H](C)C1)C(C)(C)O2	0
Cc1cc(C[C@@H](C)CC(C)(C)C)n(O)c(=O)c1	0
O=C1CCCN1CC1CCN(c2ccnc(C(F)(F)F)n2)CC1	0
O=C(Nc1nccs1)[C@H]1CC2c3ccccc3C1c1ccccc12	0
COc1ccc(CN2CC[C@@H]([NH+]3CCC(O)CC3)[C@H](O)C2)cc1C	1
C[NH+](C)CCCNC(=O)c1cccnc1NC1CC(C)(C)[NH2+]C(C)(C)C1	2
Cc1c(Cl)c(=O)oc2c(C)c(OCC(=O)N3CCCCC3)ccc12	0
C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C	2
CC(C)=CC[N@@H+]1CCOc2ccc([C@@](C)(O)C[NH+](C)C)cc2C1	2
O=c1[nH]c2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCCC3	0
CN(C)c1ccc(NC(=O)c2sc(=S)[nH]c2N)cc1	0
Cc1cn(Cc2ccccn2)c(C)n1	0
CN(C)Cc1cc(CC2(NC3CC[NH+](C)CC3)COC2)no1	1
Cc1onc(-c2ccccc2Cl)c1C(=O)Oc1cc(F)cc(F)c1	0
COc1ccc(-n2c(SC)nc3nc(SC)n(C)c3c2=O)cc1	0
NS(=O)(=O)c1ccc(CNC(=O)N2CCOCC2)cc1	0
Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccccc2)c1	0
C[C@@H]1C[C@@H]2Oc3ccc(Cl)cc3C(=O)N2O1	0
O=C1CC[C@@H](CC[NH2+]Cc2cccnc2)N1CC1([NH+]2CCOCC2)CCCCC1	2
COc1ccc(OC)c(S(=O)(=O)NCc2ccc3c(c2)CCO3)c1	0
C[NH+](C)[C@@H]1CCN(CCN2CC3(CCN(c4cc[nH+]c(N)n4)CC3)OC2=O)C1	2
CN1CCc2c(sc3c2c(NCC[NH+](C)C)nc2nnnn23)C1	1
O=C(COc1ccc(-c2ccccc2)cc1)Nc1cccc([N+](=O)[O-])c1	0
CC1(C)COC([C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)=N1	0
C[NH+]1CCC[C@@H](c2ncc3c(n2)CC[N@H+](Cc2ccncc2)C3)C1	2
CC(C)NC(=O)C1CC[NH+](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)CC1	2
CSc1nc(-c2ccccc2)nc(SC)c1C(C)=O	0
CCN1C(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(C(=O)OC)=C1C	0
[NH3+]CC[C@@H]1CN(c2nc(NC3CC3)nc3c2CC[NH2+]CC3)CCO1	2
CCC(=O)Oc1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1	0
CN(C)S(=O)(=O)Nc1ccc(Br)cc1	0
O=C(Nc1ccc(Cl)cc1)O/N=C1\CCCC[C@@H]1Cn1ccnc1	0
O=C([C@@H]1CC2CC[NH+]1CC2)N1CCN(C(=O)[C@@H]2CC3CC[NH+]2CC3)CC1	2
Cc1ccc(S(=O)(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1	0
Nc1nnnn1/N=C/c1ccccc1C(F)(F)F	0
COc1ccc(OC(=O)Nc2csc(Cc3ccsc3)n2)cc1	0
O=C(CN1C(=O)C2(OCCO2)c2ccccc21)c1ccc(Cl)cc1	0
CCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1[N+](=O)[O-]	0
CCN1CCC[N@@H+](CC)CCN(CC)CCC[NH+](CC)CC1	2
Cc1cc(N2CC[NH+](CC3=CCCOC3)CC2)cc([C@@H]2CCC[NH2+]2)n1	2
C[N@H+](Cc1ccccc1-c1nc(C[NH3+])cc(=O)[nH]1)C[C@@H]1COCCO1	2
O=C(Nc1ccccc1C1=[NH+]CCN1)Nc1ccccc1C1=[NH+]CCN1	2
CC[C@@H](C)NC(=O)C1c2ccccc2Oc2ccccc21	0
Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCC[NH+]3CCOCC3)C[N@@H+](CC(C)C)C2)cn1	2
CC1=[N+](C)c2cc(C(F)(F)F)ccc2C1(C)C	1
CCOC(=O)c1sc(C)c(C)c1NC(=O)c1ccccc1	0
O=C(CCC[NH+]1CCCCCC1)N1CCC[C@@H]1c1nnc2n1CC[NH2+]CC2	2
CC(C)=CCCc1cc(C(=O)NC2=NCCS2)c2ccccc2n1	0
O=S(=O)(CC[n+]1ccccc1)CCS(=O)(=O)CC[n+]1ccccc1	2
CS(=O)(=O)c1ccc2nc(NC(=O)Oc3ccccc3)sc2c1	0
Cc1c(Cl)cnn1[C@@H](C)C(=O)NCCn1cc([N+](=O)[O-])cn1	0
CC(=O)N1CCC[NH+](Cc2ccccc2OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1	2
CC(C)(C)CC(=O)NCc1ccc(S(N)(=O)=O)cc1	0
Oc1c(Br)cc(Cl)c2cccnc12	0
C[C@@H]1C[NH+](CC2CC[NH+](Cc3cn(C)c(=O)n(C)c3=O)CC2)C[C@@H](C)O1	2
CC(=O)Nc1nnc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1	0
Cc1ccc(C(=O)c2cc3c(cc2Br)OCCO3)cc1	0
C[C@@H]1C[NH+](C(C)(C)C#CC#CC(C)(C)[N@@H+]2CC[C@H](O)[C@H](C)C2)CC[C@@H]1O	2
CCN(Cc1ccccc1)C(=O)CCN1C(=S)NC(C)(C)C[C@@H]1C	0
CCOC(=O)c1ccccc1N1C(=S)NC(C)(C)C=C1C	0
Cc1ccccc1N1CCN(C(=O)c2ccccc2O)CC1	0
NC(=O)c1cc(Oc2ccc(Br)cc2)nc2ccccc12	0
Nc1ccn(-c2ccc(Cl)cc2)c(=O)c1	0
C=CCc1c(OC(C)=O)c2cccnc2n(-c2ccccc2)c1=O	0
COC(=O)C(N=Nc1ccc(-n2nc(C)cc2C)cc1)C(=O)OC	0
C[NH+]1CCC2(CC1)NC(=O)N(CN1CC[NH+](CCOc3ccccc3)CC1)C2=O	2
Cc1ccc(NC(=O)N2CCOCC2)cc1NC(=O)N1CCOCC1	0
Clc1cccc(Nc2nc3nonc3n3nnnc23)c1	0
CC(C)(C)c1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)cc1	0
CC1(C)C=C(n2ccccc2=O)c2cnccc2O1	0
COC(=O)CSc1cc(C(F)(F)F)nc2cc(C(C)(C)C)nn12	0
CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)NC1CCCCC1	0
[NH3+]CCn1nc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2nccnc21	2
C[N@@H+](C/C=C\C[NH3+])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@@H]1O	2
Cc1ccc(Nc2nc(C)nc3sc(C)cc23)c(Br)c1	0
O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(F)c1	0
FC(F)(F)c1ccc(-c2nnc(-c3ccc4nsnc4c3)o2)cc1	0
C(C=NNC1=[NH+]CCCCN1)=NNC1=[NH+]CCCCN1	2
Cc1nc2ccccc2n1-c1ccc(S(N)(=O)=O)cc1	0
O=C(Nc1ccc(F)cc1F)c1ccc(-c2ccc(Cl)cc2)s1	0
CCCc1cc(=O)oc2cc(OCc3cccc(F)c3)c(Cl)cc12	0
O=C(Oc1cc(=O)n2c(n1)CCCC2)c1ccccc1Br	0
COc1ccc(C[N@H+]2CCc3nc([C@@H]4CC[NH2+]C4)ncc3C2)c(OC)c1	2
COC(=O)c1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2C[C@@H](C)O)cc1	0
Ic1c(-c2ccccc2)noc1-c1ccccc1	0
Nc1ncnc2c1ncn2[C@@H]1C=C[C@@H](CO)O1	0
O=C1c2sc3nc(=O)cnn3c2C(=O)N1c1ccccc1	0
O[C@@H](COc1ccccc1C[NH2+]Cc1cccnc1)C[NH+]1CCSCC1	2
C[NH+](C)CCCNc1[nH][nH+]c(NCCC[NH+](C)C)c2ncnc1-2	3
Cc1ccccc1Oc1cc(C#N)c(C#N)cc1Oc1ccccc1C	0
NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12	1
CN(Cc1ccccc1)C(=O)[C@@H]1CCCc2nc[nH]c21	0
Cc1cc(Cl)ccc1NC(=O)[C@H]1CCCN1C(=O)c1cccs1	0
CC1CC[NH+](Cc2cc3n(n2)CCN(C(=O)c2cn(CCC[NH3+])nn2)C3)CC1	2
O=C(Nc1cccnc1)[C@H]1CCCN1C(=O)OCc1ccccc1	0
CC(=O)Oc1cccc(O)c1	0
Cc1ccc(N2C(=O)c3ccc(C(=O)NC(C)C)cc3C2=O)cc1C	0
Nc1nnc(CCC[NH2+]C[C@]2(O)CCC[N@H+]3CCCC[C@@H]32)s1	2
O=[N+]([O-])c1c(NCC[NH+]2CCCC2)ncnc1NCC[NH+]1CCCC1	2
O=C(CSc1nc2ccccc2[nH]1)NCc1ccco1	0
O=c1sc2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	0
CC[NH+](CC)C[C@@H]1CCCN1C(=O)[C@@H]1CCCCC[N@H+]1C	2
O=C(Cc1ccc(Br)cc1)Nc1ccccn1	0
C[NH+](C)CCC1CCN(C(=O)C[NH+]2CCC(c3cc(=O)n4c(n3)CCCCC4)CC2)CC1	2
CC(=O)OC1CC(C)(C)N(C(C)=O)C(C)(C)C1	0
COc1ccccc1NC(=S)NNC(=S)N[C@@H]1C[C@@H]2C=C[C@H]1C2	0
COCCN1CC[C@@]2(CCC1=O)CN(c1cc(C)[nH+]c(N)n1)CC[N@H+]2C	2
CC[NH+]1CCN(CCN2CC3(CC[NH+](C(CO)CO)CC3)OC2=O)CC1	2
CC(C)OC(=O)c1cccc(NC(=O)CSc2nncn2C)c1	0
CCOC(=O)c1nsc(Cl)c1Cl	0
NS(=O)(=O)c1ccc(CCNC(=O)Cc2cccs2)cc1	0
Cn1ccnc1CN1C(=O)CO[C@H]2C[N@H+](Cc3ccccc3O)C[C@H]21	1
CCCC(=O)Nc1[nH]nc2cnc(-c3ccccc3)cc12	0
O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCC(=O)N1C1CCCCC1	0
CCOC(=O)c1[nH]c(C)c(CNc2cc(OC)ccc2OC)c1C	0
O=C(/C=C/c1ccccc1)O/N=C(\c1ccc(F)cc1)c1cccnc1	0
CN1CCC([N@H+]2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)Nc2ccccc2)N3C)CC1	1
C[NH+](C)CCNC(=O)[C@@H]1C[C@H](CN2CCOCC2)C[N@H+](Cc2ccc3ccccc3c2)C1	2
C[NH+](C)CCCNC(=S)N/N=C1\C2CN3CC[N@H+](C2)CC1(Cc1ccccc1)C3	2
NC(=O)C1([NH+]2CCCCC2)CCN(c2nc(CC[NH3+])nc3ccccc23)CC1	2
Cc1ccc(Nc2nc3nonc3n3c(CC(N)=O)nnc23)cc1	0
COc1ccc(-c2nc(N)nc(N)n2)cc1OC	0
C[C@@H](C(=O)Nc1nc(-c2ccccc2)cs1)N1C(=O)CCC1=O	0
C[NH2+][C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCC([NH3+])CC1	2
CCOC(=O)c1ccc(NN=C2C(=O)NC(=S)NC2=O)cc1	0
CCOC(=O)C1CCN(C(=O)COc2ccc(C(C)(C)C)cc2)CC1	0
COc1ccc(-c2nc(N)nc(N)n2)cc1	0
CC1CCN(C(=O)C[N@@H+]2CCc3nnc([C@@H]4CCC[NH2+]4)n3CC2)CC1	2
C[NH+]1CCC(N2CC[N@@H+](Cc3ccc(C#CC(C)(C)O)s3)C[C@@H]2CCO)CC1	2
CN(C)Nc1[nH+]cnc(N(C)C2CC[NH+](C)CC2)c1N	2
CC[NH+]1CCN(c2nc[nH+]c(NNC(C)(C)C)c2N)CC1	2
C[NH+]1CCN(c2nccc(C[NH2+][C@@H]3CCC(=O)N[C@H]3c3cccc(F)c3)n2)CC1	2
CC(C)(C)[C@@H](O)/C=C/c1ccc2c(c1)OCO2	0
COc1cccc([C@@H]2C3=C(COC3=O)Oc3cc4c(cc32)OCO4)c1	0
Nc1ccc(Cc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1	0
COc1ccc(C[NH+]2CCC(n3cc(C(=O)NCC[NH+](C)C)nn3)CC2)c(OC)c1C	2
C=CCN(C(=O)c1ccc2nc(C)c(C)nc2c1)c1ccccc1	0
O=C1C=CC[C@H]2[C@H]3CCC[N@H+]4CCC[C@H](CN12)[C@H]34	1
O=C(COc1ccccc1Br)NCCc1ccccc1	0
COc1ccc(CC(=O)c2c(O)cc(O)cc2O)cc1	0
FC(F)(F)c1ccc(/C=N/n2cnnc2)cc1	0
Cc1c(O)c(C)c2c(c1O)C(=O)C[C@H](c1ccc(O)cc1)O2	0
CC(=O)Nc1c2sscc-2[nH]c1=O	0
C[NH2+]CCC[NH2+]C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O	2
O=C(COc1ccc(Cl)cc1Cl)NC[C@@H]1CCCO1	0
COc1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1OC	0
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2ccc(O)cc12	0
c1ccc2c(c1)nnn2CNc1ccc2nnnn2n1	0
COc1ccc2[nH]cc([C@H](O)C[NH+]3CCC(O)(Cn4cc[nH+]c4C)CC3)c2c1	2
CC(=O)O[C@H](c1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl	0
C[C@@H](C(=O)Nc1nn[nH]n1)N1C(=O)c2ccccc2C1=O	0
C[NH+]1CCN(c2ccc(N)c(N3CC[NH+](C)CC3)c2)CC1	2
CC1(C)NC(=O)[C@@H](/C=C/c2ccccc2)O1	0
C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CC[N@H+]2C	1
CC1(C)Oc2cc([N+](=O)[O-])sc2[C@@H](N2CCCCC2=O)[C@@H]1O	0
CCC[C@@H](C)NS(=O)(=O)c1ccc(OC)cc1	0
CCN(Cc1ccccc1)C(=O)c1ccc(OC)cc1	0
CC[NH+]1CCN(C(=O)c2ccc(N3CCC([NH2+][C@@H](C)Cc4ccccn4)CC3)cc2)CC1	2
C[C@@H](Sc1ccccc1Cl)C(=O)NCC1CC1	0
COc1ccc(N(C)C(=O)CCN2C(=S)NC(C)(C)C[C@@H]2C)cc1	0
Cc1ccccc1C[NH+]1CCC([NH+]2CCC(C(=O)N3CCCN(C=O)CC3)CC2)CC1	2
Cc1cc(C)nc(SCCS(=O)(=O)Cc2ccccc2)n1	0
C[N@H+]1CC[C@@H](CNc2ccc(C(=O)N3CCC([NH+]4CCOCC4)CC3)cn2)C1	2
CC(C)[NH+]1CCC([NH2+][C@@H]2CCCc3nc(N4CCC(CO)CC4)ncc32)CC1	2
C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)Cn3c(-c4ccccc4)noc3=O)CC[C@@H]21	2
c1ccc2c(c1)OC[C@@H](C[NH2+]Cc1ccc(-n3ccnc3)cc1)O2	1
Cn1ncc(N2CCO[C@@H](CC[NH2+]C3CCC4(CC[NH2+]CC4)CC3)C2)cc1=O	2
C/C(=C\c1ccccc1)C[N@H+](C)C1CC[NH+](C)CC1	2
CCOC(=O)c1cncn1[C@H]1CCCc2ccccc21	0
CC(=O)Nc1cccc(NC(=O)c2c(-c3ccccc3)noc2C)c1	0
Cc1ccc(CN2CCCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1	0
O=C(NCc1ccco1)c1cc(=O)[nH]c2ccc(Br)cc12	0
C[C@H]1C[C@@H](N(C(=O)c2cccs2)c2ccccc2)c2ccccc2N1	0
CC(C)[NH+]1CCC([N@H+]2CC[C@@H](C3CCN(c4ncccn4)CC3)C2)CC1	2
C[NH+](C)CCN1C(=O)C[C@@](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)(c2cccc(F)c2)C1=O	2
Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccoc1)C(C#N)=C(N)O2	0
CC(C)NC(=O)Cc1ccc(Br)cc1	0
Cc1cc(C)c(C#N)c(SCc2ccccc2F)n1	0
O=C(Nc1ccccc1C(F)(F)F)c1cccs1	0
CN(C(=O)c1cc(C(C)(C)C)nn1C)c1nnc(C(F)(F)F)s1	0
Cc1c(C)n(CC[NH+](C)C)c2nc[nH+]c(NCc3ccco3)c12	2
COc1ccc(CC(=O)N2c3ccccc3Sc3ccccc32)cc1	0
CCOc1ccccc1OCC(=O)Nc1nc2ccc(C)cc2s1	0
C[NH+]1CCC(N2CC[N@@H+](Cc3cccc4nonc34)C[C@@H]2CCO)CC1	2
CC(=O)Oc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1	0
CC1(C)OC(=O)Nc2ccc(-c3cccc(F)c3)cc21	0
Nc1ccc(-c2cc(=O)c3c(N)cccc3o2)cc1	0
COc1cc(C(=O)N(C)Cc2ccccc2)cc(OC)c1OC	0
CCc1ccc(NS(=O)(=O)c2ccccc2)cc1	0
Nc1nnnn1/N=C/c1ccc(N2CCOCC2)cc1	0
C[N+](C)(C)CCCCC[N+](C)(C)C1CCCCC1	2
COc1ccccc1Oc1ccc(S(=O)(=O)N2CCOCC2)cc1	0
CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)C[NH+](CC)CC)cc1	2
O=C1O[C@H](Nc2ccc(OC(F)(F)F)cc2)c2ccccc21	0
Cc1ccc2nsnc2c1S(=O)(=O)NCc1cccnc1	0
NC(=S)c1ncn2ccc(=S)[nH]c12	0
CCOC(=O)c1ccc(/N=C/c2c(OCC)ccc3ccccc23)cc1	0
C[C@@H](OC[C@@H](O)C[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1	2
CCOC(=O)c1sc(=S)n(Cc2ccccc2)c1N	0
Cn1cnnc1SCCn1c(=O)[nH]c2ccccc2c1=O	0
COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccs1	0
Cc1ccc(OC[C@H](O)c2cccnc2)c(C)c1	0
CC(=O)OC[C@H]1OC=C[C@@H](OC(C)=O)[C@@H]1OC(C)=O	0
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Cl)cc2c1OCOC2	0
CCOC(=O)c1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1	0
COc1cc(Cl)c(S(=O)(=O)NCc2ccccn2)cc1Cl	0
O=C(CCN(C1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1ccccc1)N1CC[NH2+]CC1	2
Cc1ccc(NC(=O)CSc2nncn2C)cc1	0
CC(C)[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCCn3cccn3)C2)CC1	2
COc1ccc2[nH]cc([C@H](C)CNC(C)=O)c2c1	0
Cc1ncc([N+](=O)[O-])n1CCOC(c1ccccc1)c1ccccc1	0
Nc1nc2n(n1)[C@@H](c1c(F)cccc1Cl)C[C@@H](c1ccccc1)N2	0
COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	0
O=C1C(Cl)=C(Nc2ccc(O)cc2)C(=O)c2cnccc21	0
O=C1CO[C@](C#CC2CC2)(C(F)(F)F)c2cc(Cl)ccc2N1	0
Cc1cc(=O)oc2cc(NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])ccc12	2
CC1(C)Cc2c(ccc3ccccc23)C(=CC(=O)N2CCCCCC2)N1	0
CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1	0
O=C1CNC(=O)[C@@H](c2cccs2)N1	0
CN(C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)CN1CC(=O)[O+]=N1	2
O=S(=O)(N/N=C/c1ccc(Cl)cc1)c1ccc2ccccc2c1	0
COC(=O)c1cnn(-c2ccccc2)c1/C=N/OC(=O)c1ccccc1	0
COc1ccc(OC)c(-c2csc(N)n2)c1	0
CCCc1nnc(NC(=O)CC(=O)NCc2ccccc2)s1	0
CC[NH+]=C(NCCOCCNC(=[NH+]CC)SC)SC	2
CC(C)NC(=S)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	0
CCOC(=O)N1CCN(c2nc(-c3ccc(OC)cc3)cs2)CC1	0
N#Cc1ccccc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12	0
c1ccc(COc2ccc(CNc3ccc4c(c3)OCCO4)cc2)cc1	0
C[N+](=O)Cc1ccc(C(F)(F)F)cc1	1
COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)Nc1ccccc1	0
Cc1ccc[nH+]c1N1CCN(C(=O)c2cn(C[C@@H]3CCC[NH2+]C3)nn2)CC1	2
C#C[C@@H](O)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1	0
CC(=O)C(=Cc1ccc(O)cc1)C(C)=O	0
COc1ccc(C=C(C(C)=O)C(C)=O)cc1	0
Cc1cc2c(c(Sc3ccc(C(C)(C)C)cc3)n1)C(=O)OC2	0
COc1cc(C[NH+](C)Cc2ccncn2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C	2
CCn1c(C)nnc1S[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C	0
CSc1ccccc1N1C(=O)Cc2ccccc2C1=O	0
O=C(CSc1nc2ccccc2s1)Nc1ccncc1	0
COc1cc(C(=O)/C=C/N2CC=CC2)cc(OC)c1OC	0
O=C(NCc1cccs1)c1ccccc1NC(=O)C(F)(F)F	0
O=C(CCS(=O)(=O)c1ccc(Cl)cc1)N1CCc2ccccc21	0
c1cc(-c2cnc(-c3ccc(C4=[NH+]CCN4)cc3)o2)ccc1C1=[NH+]CCN1	2
CC1=NC(=O)N[C@@H](c2ccccc2)C1C(=O)OCc1ccc(C)cc1	0
Cc1cc(C)n(-c2nc3c(c(=O)n(C)c(=O)n3C)n2C)n1	0
CC[N@H+]1C[C@H](Nc2nc(N)nc3c2CC[NH2+]CC3)[C@@H](OC)C1	2
Cc1cc(=O)n([C@@H](NC(=O)c2ccccc2)C(=O)c2ccccc2)cn1	0
Cc1ccc2cccc(SCC(=O)NC[C@@H]3CCCO3)c2n1	0
COC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O	0
CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2cnc(N(C)C)s2)CC1	2
O=C1NN(c2cccc(Br)c2)C(=O)/C1=C\c1ccccc1	0
COc1ccccc1-c1nnc(SCC(=O)OC(C)C)o1	0
Nc1c(C(=O)NCc2cccnc2)sc(=S)n1-c1ccccc1	0
N#Cc1c(NC(=O)CSC2=NCCS2)sc2c1CCCC2	0
O=C1CC2(CCCC2)C(=O)N1CCNc1nccc(C(F)(F)F)n1	0
C[C@@H]1CCC[N@@H+](CC(=O)N2CCC(c3ncc4c(n3)CC[NH2+]C4)CC2)C1	2
C[n+]1ccccc1NC(=O)c1ccc(C(=O)Nc2cccc[n+]2C)cc1	2
COC(=O)C1=C(C)NC(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1	0
CC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N	0
Cc1ccc([C@@H](O)c2nc3c(cc2C)CCC3)cc1	0
O=C(COc1ccc(Cl)cc1Cl)Nc1nccs1	0
COC(=O)c1cc(S(=O)(=O)C(C)C)c(S(C)(=O)=O)s1	0
CC[N@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)CSC	2
O=C1c2ccccc2C(=O)C1(Nc1ccccc1)c1ccc(Cl)cc1	0
C[C@@H]1Cc2cc(C[NH+]3CCC(c4nnc5n4CC[NH2+]CC5)CC3)ccc2O1	2
Cc1cc([N+](=O)[O-])nn1CC(=O)N1c2ccccc2C[C@@H]1C	0
Nc1ncc(Sc2ncc[nH]2)s1	0
Cn1ncc(C23CCN(CC2)C3)n1	0
Cc1cccc(N(C)c2ncnc3n[nH]cc23)c1	0
c1cc[n+](Cc2ccc(C[n+]3ccccc3)c3nsnc23)cc1	2
NC(=[NH2+])c1ccc(NCCCNc2ccc(C(N)=[NH2+])cc2)cc1	2
CCc1cc(N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](O)C2)nc(N(C)C)[nH+]1	2
NC(=[NH2+])NC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1	2
Cc1cc(=O)oc2cc(OC(=O)c3cc4ccccc4oc3=O)ccc12	0
C[NH+](C)CCNC(=O)c1ccc(OC2CC[NH+](C)CC2)c(Cl)c1	2
CC(=O)Nc1c2sscc-2n(C)c1=O	0
CC(=O)Oc1cccc(OC(C)=O)c1OC(C)=O	0
COc1nc2nonc2nc1Nc1ccc(C)cc1	0
CCOC(=O)C[n+]1ccc(-c2cc[n+](CC(=O)OCC)cc2)cc1	2
Cc1ncc([N+](=O)[O-])n1C[C@@H](C)O	0
CC(=O)Nc1ccc(OC(=O)c2ccccc2O)cc1	0
O=C1c2ccccc2C(=O)N1CN(c1ccccc1)c1ccccc1	0
NC(=[NH2+])c1ccc(N2CCN(c3ccc(C(N)=[NH2+])cc3)CC2)cc1	2
Cc1nnc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)s1	0
Oc1ccc(NC2Cc3ccccc3C2)cc1	0
COc1ccc2ncn(CCNC(C)=O)c2c1	0
COCc1cc(C)n(CC(=O)Nc2ccc(OC)cc2)c(=O)c1C#N	0
Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	0
CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2ccc3nonc3c2)CC1	2
CCNc1nsc2ccccc12	0
Cc1nn(C)c(C)c1CN(C)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C(C)C)CC2)C1	2
CC(C)[C@H]1OC(=O)[C@H](Cc2ccccc2)N(C)C1=O	0
Cc1cc2nc(N)nc(N)n2n1	0
Cc1nn2c(=O)/c(=C/c3ccc([N+](=O)[O-])cc3)sc2nc1=O	0
CC1=C(C)C(=O)C(Cc2cccnc2)=C(C)C1=O	0
Nc1nc(OCc2ccccc2)c2[nH]c(=O)[nH]c2n1	0
CCn1c(Br)nc2c1c(=O)n(C)c(=O)n2C	0
Cc1cc2c(cc1S(N)(=O)=O)S(=O)(=O)CCC2	0
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CCOc1ccccc1	0
CCc1ccccc1NC(=O)COc1ccc(Br)cc1	0
COc1ccc(-n2cnnn2)c(OC)c1	0
COc1cc(OC)cc(C(=O)NC(=S)Nc2nnn(C)n2)c1	0
Cc1cc(Br)c(N2C(=O)CCC2=O)c(Br)c1	0
CN(CC[NH+](C)C)C(=O)c1cccc(OC2CC[NH+](C3CCC3)CC2)c1	2
Clc1ccc(CSc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1	0
CCC[NH+]1CCN(c2nnc(-n3cccc3C[NH2+]C3CCCC3)s2)CC1	2
C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(CCn4cncn4)CC3)C2)CC1	2
O=C(NCc1cccnc1)/C(=C\c1ccco1)NC(=O)c1ccccc1	0
O/N=C\c1cc[n+](CC[n+]2ccc(/C=N/O)cc2)cc1	2
C1CC[NH+](CC2OCC3(CO2)COC(C[NH+]2CCCCC2)OC3)CC1	2
C(=N/n1cnnc1)\c1ccc(OCc2cccc3ccccc23)cc1	0
C=CCc1cc(OC)c2c(c1OC)OCO2	0
CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)CC1	2
Cc1cc2[nH+]c(NCCO)n(CC[NH+](C)C)c2cc1C	2
CN1CCN(C[C@H]2C[C@@H](C(=O)NCC[NH+](C)C)C[N@@H+](CCc3ccccc3)C2)CC1	2
C=C1C[C@H]2COC(=O)[C@@]2(Cc2ccc3ccccc3c2)C1	0
C=CCN1C(=O)[C@@](O)(CC(=O)c2ccco2)c2ccccc21	0
Cc1cc2[nH+]c(N)n(CC[NH+]3CCOCC3)c2cc1C	2
O=C(Cn1c(=S)[nH]c2ccccc21)c1ccc([N+](=O)[O-])cc1	0
C[NH+](C)[C@H]1CN(c2nc(-c3ccccn3)nc3c2CC[NH2+]CC3)C[C@@H]1O	2
O=C(C1CCC1)N1CCC[C@H](c2nc(-c3cccc(Cl)c3)no2)C1	0
COc1ccc(OC)c([C@@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)c1	0
O=C(COc1ccc2ccc(=O)oc2c1)Nc1ccccn1	0
COc1ccc(OC[C@H](O)C[NH+](C)C)c(C[NH2+]CCc2ccccc2F)c1	2
[NH3+][C@@H](CCC[NH+]1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1	2
CC[NH+]1CCC([NH2+]C2C3CC4CC(C3)CC2C4)CC1	2
O=C(NC(=S)N[C@@H]1CCSC1=O)c1ccc(Br)o1	0
Cc1c(C)n(CCC[NH+](C)C)c2nc[nH+]c(NCCO)c12	2
CC1=C2[C@@H]3OC(=O)[C@H](C)[C@@H]3CC[C@]2(C)C=CC1=O	0
Cc1cccn2c(C[NH2+]CC[C@@H]3CCC[N@@H+]3C)c(C(=O)N3CCOCC3)nc12	2
COC(=O)CNC(=O)c1cccc(OC)c1	0
COc1cccc(C(=O)Nc2nc3ccccc3s2)c1	0
N=c1c2cnn(-c3ccccc3)c2ncn1/N=C/c1ccc(Cl)cc1	0
CC[C@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccccc1	0
COc1ccccc1OC[C@@H](O)C[N@@H+](C)C[C@@H](O)C[NH3+]	2
COC(=O)C1C(C)=Nc2nc(-c3ccccc3)nn2[C@@H]1c1cccnc1	0
COc1ccc2[nH]c(C(N)=O)c(OC(C)C)c2c1	0
CCOc1ccccc1NC(=O)c1cccs1	0
C[C@@H](C#Cc1ccc(Oc2ccc(F)cc2)o1)N(O)C(N)=O	0
Cc1cc(=O)n2c(n1)NC(NCC[NH+]1CCCCC1)=[NH+][C@@H]2[C@@H]1CC=CCC1	2
Cn1c2ccccc2c2nnc(SCc3ccc4nonc4c3)nc21	0
CC[NH+](CC)CC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1	2
Fc1ccc(NC(=S)NNc2c(Cl)cncc2Cl)cc1	0
CCOC(=O)CNc1nc(N)nc2ccccc12	0
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)n1ccnc1	0
N#Cc1ccc(Sc2nc3ccccc3[nH]2)cc1C#N	0
Cc1ccc(-c2nnc(-n3ncc(C#N)c3N)c3ccccc23)cc1	0
O=C1c2ccccc2N[C@@H](c2ccc(Cl)cc2)N1Cc1ccccc1	0
O=S(=O)(NCCc1ccccc1)c1ccc(F)cc1	0
COc1nncc(-c2cnnc(SC)n2)n1	0
CC[C@@H](C)Nc1nnnc2c1sc1nc3c(cc12)COC(C)(C)C3	0
CCC(=O)Nc1ccc2nc(SCC(=O)N3CCCC3)sc2c1	0
O=C(Cc1ccccc1)OCCN1C(=O)[C@H]2CC=C(Cl)C[C@H]2C1=O	0
CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3cn(CC(N)=O)c4ccccc34)C[C@@H]2CCO)CC1	2
CNc1nc([C@@H]2CCC[N@@H+](CC(=O)N(Cc3ccccc3)C(C)C)C2)nc2c1C[NH2+]CC2	2
COC(=O)[C@@H]1C[C@H]2CC[C@H](O)C[C@H]2[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1	2
COc1cc(-c2nc3ccccc3c(=O)n2N)cc(OC)c1OC	0
CNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1	0
COc1ccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c(OC)c1	2
COc1ccccc1OCCN(C#N)c1nc(Cl)nc(N(C)C)n1	0
N#CCN(CC#N)C(=O)c1ccco1	0
CCCc1[nH]c(=O)oc1-c1ccncc1	0
O=C(Nc1cccc(C(F)(F)F)c1)C(=S)NCc1ccccc1	0
OCC[NH+]1CCOCC[NH+](CCO)CCOCC1	2
CCn1cc(C[NH2+]Cc2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)cn1	2
O=c1cc(-c2cc(Cl)cc3c2OCOC3)oc2ccc(Cl)cc12	0
Fc1ccc(CNc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1	0
COc1ccc(-c2nc(SC)n(C)c(=O)c2C#N)cc1OC	0
COc1ccccc1C(=O)Nc1ccc2c(c1)OCO2	0
Cc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)NCCC[NH+]3CCOCC3)cc2c1	2
Cc1cccc2cc(C[NH2+]CCCN3CCCC3=O)c(N3CC[N@H+]4CCC[C@@H]4C3)nc12	2
NS(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1	0
CC1(C)CC(O)(C2(O)CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)[NH2+]1	2
Cc1cc(C[NH+]2CCC(Cn3cc(C[NH3+])nn3)CC2)n(C)n1	2
O=C(COC(=O)c1ccccc1Nc1ccc(F)cc1)c1ccccc1	0
Nc1c2c([nH+]c3ccccc13)CCC[C@@H]2O	1
Cc1n[nH]c(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1	0
C[NH+](C)CC[C@@H](CNC1=[NH+]CCN1)c1cccc2ccccc12	2
Cc1ccc(-n2c(C)cc(C(=S)N3CCOCC3)c2C)cc1Cl	0
O=C(Cn1nnc(-c2ccccc2)n1)OCc1ccc([N+](=O)[O-])cc1	0
Cc1nn(C(=O)c2ccc(Cl)c(Cl)c2)c(N)c1-c1ccccc1	0
[NH3+]CCn1ncc2c(N3CC[NH+](Cc4ccccc4)CC3)ncnc21	2
CN(C)C(=S)SCCn1c(N)nc(N(C)C)nc1=O	0
CNC(=S)[C@]1(c2cccnc2)CCCCC1=O	0
Cc1nonc1N(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1	0
Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccccc3F)ccc21	0
Cc1ccccc1NC(=O)C[N+]12CC[N+](CC(=O)Nc3ccccc3C)(CC1)CC2	2
Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc(C(F)(F)F)c1	0
CC1=N[C@@H]2CCCc3nc4ccccc4c(c32)N1	0
CC[NH+]1CCN(C[C@@H](O)COc2ccc(C[N@@H+](C)C3CCOCC3)cc2OC)CC1	2
CSc1c(-c2ccccn2)c(N)nn1C(=O)C1CC1	0
O=C(C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1)N1CCC[C@H]1CO	2
C[NH+]1CCN(c2ncc(Br)cc2C[NH2+]C2CC2)CC1	2
O=C(Nc1cccc2ccccc12)N1CCN(c2ccc(F)cc2)CC1	0
Fc1nc(N2CCOCC2)c(F)c(Oc2ccc(Cl)cc2)c1F	0
O=C(c1ccccc1Sc1ccc([N+](=O)[O-])cc1)N1CCCCC1	0
COC(=O)c1ccc([N+](=O)[O-])c(Oc2ccc(Cl)cc2Cl)c1	0
Cc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)c(C)c1F	0
COc1ccc(/C=N/S(=O)(=O)c2cccs2)cc1OC	0
Cn1nc(C(F)(F)F)c(-c2ccccc2)c1NC(=O)c1ccccc1	0
C[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3cnc(-c4ccccn4)nc3)C[C@@H]2CO)CC1	2
CC[NH+](CC)CCCNC1=[NH+][C@@H]2CS(=O)(=O)C[C@@H]2S1	2
O=C(NCC1CCCCC1)Nc1cc(F)ccc1F	0
COC(=O)CCC(=O)N1CCc2ccccc21	0
Cc1ccccc1Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1	0
NC(=[NH2+])c1cccc([C@@H]2Oc3ccccc3N(CCCCC[NH+]3CCOCC3)C2=O)c1	2
O=C1CN=C(c2ccc[nH]2)c2cc(Cl)ccc2N1	0
COc1ccc2c(c1)CC1(CC2)CC[NH+](CCC[NH+](C)C)CC1	2
CNC(=O)C[NH+]1CCC(CN(C)c2cc(-n3cccn3)nc(N)[nH+]2)CC1	2
CC[NH+]1CCC(Cn2cc(C[N@H+]3CCC[C@@H](C(N)=O)C3)nn2)CC1	2
COCC[NH+]1CCC(C[N@@H+](Cc2ccncc2)C2CCOCC2)CC1	2
CCOC(=O)C1=C(C)N(CCO)C(=O)N[C@@H]1c1ccccc1	0
CC(=O)c1cc(Cl)cc(Cl)c1OC(=O)c1ccccc1Cl	0
CC(=O)N(C)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1	0
COC(=O)Cn1c(C)cc(C=O)c1C	0
C=CCn1ccc(=O)c(O)c1C	0
COC(=O)c1ccccc1NS(C)(=O)=O	0
O=C1N=C(N2CCOCC2)CN1Cc1ccccc1	0
CS(=O)(=O)Nc1ccc(OCc2ccccc2)cc1	0
CC(C)[NH+]1CCC(NC(=O)CSc2nnnn2CC[NH+](C)C)CC1	2
CN(C)c1nc2c(c(NC3CC[NH+](C[C@@H]4CCCO4)CC3)n1)CC[NH2+]C2	2
CCOC(=O)n1ccn(C)c1=S	0
O=c1[nH]c(=O)c2ccccc2o1	0
CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccsc2C1=O	0
CC1(C)CC(O)CC(C)(C)N1O	0
COC(=O)c1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cn1C	0
CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCc1cccnc1	2
CO[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1ccc(O)c(O)c1	0
[NH3+]CCn1cc(C(=O)N[C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)nn1	2
Cn1nnc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)n1	0
OCc1cn(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)nn1	0
CC(=O)N(c1cc(C)on1)S(=O)(=O)c1ccc(N)cc1	0
CCOC(=O)c1ccc(N(C[C@@H](C)O)C[C@@H](C)O)cc1	0
O=C(Oc1ccc(/C=N/c2ccc(Cl)cc2)cc1)c1ccccc1	0
CC(=O)c1ccc2[nH]cc(CC[NH3+])c2c1	1
CC[NH+](CC)CC/[NH+]=c1\ccn(O)c2cc(Cl)ccc12	2
Cc1csc2[nH]c(=O)c(=O)[nH]c12	0
O=C(NC(=S)NCc1ccccc1)c1ccc(Cl)cc1Cl	0
CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1	0
CC(C)(C)NC(=O)c1sc2nc(-c3cccs3)ccc2c1N	0
C[NH+](C)CCCNc1nc(N)c([N+](=O)[O-])c(N2CC[NH+](C)CC2)n1	2
C=CCN(c1ccccc1)[C@@H](C(=O)NC1CCCC1)c1ccc(C)cc1	0
Nc1ncnc2[nH]c(N3CCCCC3)nc12	0
C[C@H]1CCc2c(sc3ncn4c(CCc5ccccc5)nnc4c23)C1	0
C[NH+](C)CCn1cnc2nnc3ccc(C(=O)N4CC[NH+](C)CC4)cc3c21	2
O=C(Cn1nnc([N+](=O)[O-])n1)N(c1ccccc1)c1ccccc1	0
CNc1nc(Br)cn2cc(C#N)nc12	0
O=C(CCCc1ccccc1)N1CCOCC1	0
CNc1nc2ccc(C)cn2c(=O)c1/C=N/O	0
COCC[NH+]1CC[C@@H](C[N@H+]2CCCN(c3ncccn3)CC2)C1	2
Cn1cncc1C(=O)Nc1ccc(OC(=O)c2ccnn2C)cc1	0
CCc1[nH]c(CN2CCC([NH+]3CCC(C(=O)NCc4ccccn4)CC3)CC2)c(C)[nH+]1	2
Cc1ccc(CCC2CC[NH+](CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)CC2)cc1	2
O=c1cc(N2CCOCC2)oc2ccccc12	0
COc1ccc(C[NH2+]Cc2ccc(C)o2)cc1OC[C@@H](O)C[NH+]1CCCC1	2
CN(C)/N=C(\Cn1nnc(N2CCCC2)n1)c1ccc(Cl)cc1	0
CN1CCN(NC(=O)Cc2csc(-c3ccc(C[NH+]4CCN(C)CC4)cc3)n2)CC1	1
CS(=O)(=O)c1ccc(C2=C(c3cccnc3)C(=O)CC2)cc1	0
O=C(ON=C(c1cccs1)c1cccs1)c1ccc(Cl)cc1	0
Cc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[NH+]2CCN(c3ccccc3)CC2)cc1	2
CC[NH+](CC)CCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(C(F)(F)F)cc1	2
Cc1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]3C2=O)C42CC2)o1	0
CCOC(=O)c1c(C)nn(-c2ccccc2)c1N	0
CC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)Nc1ccc(Cl)cc12	0
Cc1ccccc1OC[C@H](O)CO	0
C[C@H]1CN(C(=O)c2nc3sccn3c2C[NH2+]CCCCC[NH+]2CCOCC2)C[C@@H](C)O1	2
COc1ccccc1OC[C@@H]1CNC(=O)O1	0
CC[N@H+]1CCC[C@@H]1CN(Cc1nccn1C)CC1CC[NH+](CCOC)CC1	2
C[C@@H]1CN(c2ccc(NC(=S)NCc3ccco3)cc2)C[C@@H](C)O1	0
O=C(CCCc1ccccc1)N[C@@H]1CCCCNC1=O	0
COC(=O)c1ccc(-c2nc(N)c3c(=O)oc4ccccc4c3n2)cc1	0
C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2cnc(N3CCOCC3)nc2)CC1	2
FC(F)(F)c1ccc(-c2nnc3ccc(C(F)(F)F)cn23)cc1	0
O=C1c2[nH]c3cc(-c4ccccc4)nn3c(=O)c2CN1Cc1ccco1	0
C[C@@H](NC(=O)C(=O)NCC[NH+](C)C)[C@H](c1cccs1)N1CC[NH+](C)CC1	2
Cc1cc(Cl)ccc1OCc1nc(-c2cccc([N+](=O)[O-])c2)no1	0
Cc1ccc(Cn2cnc([N+](=O)[O-])n2)cc1	0
Fc1c(CSC2=[NH+]CCN2)cccc1CSC1=[NH+]CCN1	2
CC[C@H]1C(=O)NC(=O)[C@@]1(C)c1ccccc1	0
O[C@@H](C[NH2+]C1CCCCC1)CSC[C@@H](O)C[NH2+]C1CCCCC1	2
COc1cccc([C@@H]2C[NH2+]C[C@H]2c2cc(=O)[nH]c(N3CC[NH+](C)CC3)n2)c1	2
CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCC3([NH+]4CCOCC4)CCCCC3)c(=O)[nH]2)C1	2
Cc1ccc(NC(=O)Nc2ccc(Cl)cc2Cl)cc1	0
c1ccc(C(c2ccccc2)[NH+]2CC3(CC[NH2+]CC3)C2)cc1	2
CS(=O)(=O)c1cnc(NCC2CC[NH2+]CC2)nc1[C@@H]1CCC[NH2+]C1	2
COc1ccc2c(c1)CN(C(=O)[C@@H](C)[NH3+])C[C@@]1(CCC[N@@H+](C)CC1)O2	2
CC(C)(C)c1cc(OC(=O)c2ccccc2Br)ccc1O	0
CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1	0
C(=C1CCN(c2ccc(C3=[NH+]CCN3)cc2)CC1)c1ccc(C2=[NH+]CCN2)cc1	2
Cc1cc(=O)oc2cc(OC(=O)/C=C/c3ccc(Cl)cc3)ccc12	0
COCC[N@@H+](CCO)CC1CC[NH+](Cc2ccccc2OC)CC1	2
Cc1ccccc1NC(=O)[C@@H]1C(=O)N[C@]2(C)C[C@H]1c1ccccc1O2	0
CNC(=O)[C@@H]1C[C@@H](n2cc(COc3ccccc3C[NH+](C)C)nn2)C[NH2+]1	2
CC(=O)c1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1	0
CCOc1ccc(OCC)c(Cc2oc(-c3ccccc3)nc2O)c1	0
Nc1nnc(SCC(=O)N2CCCc3ccccc32)s1	0
CCOc1ccc(/C=N/N2CCN(c3ccccc3OC)CC2)cc1	0
[NH2+]=C1N[C@@]2(CCc3cccc(Cl)c3C2)CO1	1
Cn1nnnc1SCC[NH2+]C[C@]1(O)CCC[N@H+]2CCCC[C@@H]21	2
COc1ccc(C2(CNC(C)=O)CCC(OC(C)=O)CC2)cc1OC	0
C[NH+]1CCN(CC(C)(C)C[N@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)CC1	2
O=C(N[C@@H](n1cnccc1=O)C(Cl)(Cl)Cl)c1ccccc1	0
COC(=O)c1nnn(-c2nonc2N)c1C(C)(C)C	0
Cc1[nH]c(=O)c(C#N)c(C)c1CSCc1ccco1	0
CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)C[NH+]1CCC(O)CC1	2
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(OCC(=O)N2CCOCC2)cc1	2
O=C(c1ccc(N[C@@H]2CC[NH2+]C2)nc1)N1CCC([NH+]2CCOCC2)CC1	2
CCC(=O)OC1(c2ccccc2)[C@@H](C[NH+](C)C)CCC[C@@H]1C[NH+](C)C	2
COc1ccc(-c2cc3cc(C)c(C#N)c(N4CCCC4)n3c2)cc1	0
CC[NH+]1CCN(C(=O)c2ccc(N3CC[NH2+]CC3)c(NS(=O)(=O)c3ccc(C)cc3)c2)CC1	2
COC(=O)c1sc2nc3c(cc2c1N)C[C@@H](C)CC3	0
COCC(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2CN1CCN(c2ccccn2)CC1	1
O=C(C=Cc1ccccc1)O[C@@H](C(=O)c1ccccc1)c1ccccc1	0
N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)CC1	2
COc1ccccc1CC[NH+]1CCC(C[N@@H+](C)C[C@@H](O)CO)CC1	2
CC[C@]1(c2ccccc2)NC(=O)N(C)C1=O	0
O=c1oc2cc(O)ccc2s1	0
C[N+](C)(C)CCOC(=O)c1ccc(C(=O)OCC[N+](C)(C)C)cc1	2
CC(=O)O/N=C(/c1ccc2c(c1)OCO2)N1CCOCC1	0
O=C1CCCN1S(=O)(=O)c1ccccc1	0
CNC(=[NH2+])c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=[NH2+])NC)cc3)cc2)cc1	2
Cc1sc(NC(=O)Cc2ccccc2)c(C(N)=O)c1C	0
COc1ccc2c(Cl)c(C(=O)NCc3ccccc3)sc2c1	0
C[C@@H](CNC(=O)NC1CCN(CC(=O)N(C)C)CC1)N1CCOCC1	0
COc1ccc(/C=N/N=C2/C(=O)Nc3ccccc32)cc1OC	0
COC(=O)CS(=O)(=O)c1ccc(C(=O)OC)cc1[N+](=O)[O-]	0
Cc1ccc(NC(=O)CCN2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)cc1	0
Cc1nc2scc(C)n2c1CO	0
CCC1(CC)C(=O)C(C)(C)C(=O)O[C@@H]1C#Cc1ccccc1	0
Nn1c(COc2ccc(Cl)cc2)nc2ccccc2c1=O	0
CCN1c2ccccc2NC(=O)c2cccnc21	0
CN[C@@H]1[C@H](O)[C@H]([NH2+]C)[C@@H](O)[C@@H]2O[C@@H]3O[C@@H](C)CC(=O)[C@@]3(O)O[C@H]21	1
Cc1ccc(S(=O)(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1	0
CC(=O)Nc1ccc(C2=N/C(=C/c3cccs3)C(=O)O2)cc1	0
Cc1cc(C)n(CCOc2nonc2N)n1	0
CC1CC[NH+](CC(=O)N2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)CC1	2
COc1cccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)c1	0
CCOC(=O)NC(=O)c1cn(Cc2cccs2)c(=O)n(C)c1=O	0
NC(=O)C1=CN(C(=O)Nc2ccc(Cl)cc2)CC[C@@H]1C(F)(F)F	0
Cc1noc2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)N2	0
Cc1ccc2[nH]cc(CC[NH+](C)C)c2c1	1
O=C(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1	0
CC(=NNC(N)=[NH2+])c1ccc(N2CCN(c3ccc(C(C)=NNC(N)=[NH2+])cc3)CC2)cc1	2
O=C(Nc1nncs1)c1ccco1	0
CCOC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1cc(OC)ccc1OC	0
CC(C)NC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CCC2	0
COC(=O)C1=NN(C(=O)c2ccccc2F)[C@@](O)(c2ccccc2)C1	0
c1ncn(Cc2nnc(C3CC[NH+](C[C@@H]4[C@H]5C[NH2+]C[C@H]54)CC3)n2C2CC2)n1	2
Cc1ccc2c(c1)n(O)c(NCC[NH+](C)C)n[n+]2=O	2
CCOC(C[NH+]1CCCCC1)OCC	1
Oc1ccc(/C=C/c2ccc(O)c(O)c2)cc1	0
C1COC(NC(C2CC2)C2CC2)=N1	0
O=C(CC[NH+]1CCCCC1)NCNC(=O)CC[NH+]1CCCCC1	2
COc1ccc2c(C)c(-c3cccc(Br)c3)c(=O)oc2c1	0
Fc1ccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1	0
C=CCOc1ccccc1C[NH+]1CCc2c(C(=O)OC)c(OC[C@@H]3CCC[N@@H+](C)C3)cc(=O)n2CC1	2
Cc1ccc(C(=O)N2C(=O)[C@@H](c3ccccc3)Oc3ccccc32)cc1	0
Cc1[nH+]ccn1CCC[NH2+]Cc1c(C(=O)N2C[C@H](C)O[C@H](C)C2)nc2ccc(Cl)cn12	2
O=C(NCc1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1	0
O=C([C@@H]1C[C@H](N2CCN(c3cc[nH+]c4ccccc34)CC2)C[NH2+]1)N1CCSC1	2
O=C(NC[C@@H]1CCCO1)C1CC[NH+](C2CC[NH+](C3CCSCC3)CC2)CC1	2
Cc1csc([N-]S(=O)(=O)c2cccc(Cl)c2C)n1	-1
COc1cc(N)cn[n+]1-c1ccccc1	1
O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccccc1F	0
C[N+](C)(C)CC(=O)N/N=C1/C/C(=N\NC(=O)C[N+](C)(C)C)c2ccccc21	2
COc1c(C)c[nH+]c(CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1C	2
O=C(NCc1nnnn1-c1ccccc1)[C@@H]1CC2(CC[NH2+]CC2)C[NH2+]1	2
COc1ccc(OC)c(NC(=O)Nc2ccc(Cl)cc2Cl)c1	0
Cc1cc(C)n(-c2nncn2/N=C/c2ccccc2O)n1	0
Cc1ccc2sc(-c3ccc(/N=C/c4ccccc4O)cc3)nc2c1	0
C#CCN1N=C(c2ccc(NC(=O)c3ccccc3)cc2)CSC1=O	0
COc1ccc(-n2nc3c(c2NC(=O)C(C)(C)C)C[S@](=O)C3)cc1	0
C[NH+](C)CCNc1c2c([nH+]c3ccccc13)CCC2	2
c1ccc2c(NCCC[NH+]3CCOCC3)c3c([nH+]c2c1)CCC3	2
Nc1nnc(SCC(=O)NCCc2ccccc2)s1	0
Cc1nc(CN2CCN(C(=O)[C@@H]3CC4(CC[NH2+]CC4)C[NH2+]3)CC2)no1	2
Cn1c(=O)c2c(ncn2CCN2CCC([NH+]3CCCC3)CC2)n(C)c1=O	1
C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(F)cc1	0
Nc1nonc1-c1noc(CCCN2C(=O)c3ccccc3C2=O)n1	0
COC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1C	0
CN1C(=O)/C(=C\C(=O)c2cccc(Br)c2)c2ccccc21	0
COc1ccc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)c(OC)c1	0
Cc1cc(C)n(/N=C/c2ccc([N+](=O)[O-])cc2)c(=O)c1C(N)=O	0
N#C/C(=C/c1c[nH]c2ccccc12)C(=O)NCc1ccccc1	0
CCC[NH+]1CCC([NH2+][C@@H]2CCCc3nc(N(C)C)ncc32)CC1	2
c1ccc(-c2c[n+]3ccccc3c3cccc[n+]23)cc1	2
O=C1[O+]=NN(c2ccccc2)C1SC1C(=O)[O+]=NN1c1ccccc1	2
Nc1cc[n+](Cc2nc3ccccc3nc2C[n+]2ccc(N)cc2)cc1	2
Cc1c(N2CC[NH2+]CC2)c(N)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c12	0
CC(C)CN(CC(C)C)C1=CC(=O)OC12CCCCC2	0
COc1ccc(/C=c2\sc3nc4c(C)cccc4n3c2=O)cc1O	0
O=C(NCc1ccco1)c1ccc(Br)cc1	0
O=c1[nH]c2ccc(-c3cccc(Cl)c3)cc2n1Cc1ccccc1	0
C=CCn1cnc2scc(-c3ccc(Br)cc3)c2c1=O	0
O=C(COc1nsnc1N1CCOCC1)N1CCOCC1	0
Cc1ccccc1NC(=O)COc1cc(Cl)c(Cl)cc1Cl	0
C[NH+](C)C[C@@H](O)COc1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1	2
CCCC1=NN2C(=N)/C(=C/c3ccc(O)c(OC)c3)C(=O)N=C2S1	0
[NH3+]CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	2
COc1cc([C@@H]2NC(=O)N(C)C3=C2C(=O)CCC3)cc(OC)c1OC	0
Cn1nnnc1SCC[NH2+][C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O	2
CC(=O)Nc1cccc(-c2cc(-c3ccc(Cl)cc3Cl)no2)c1	0
CN(C)/C=C(\C=[N+](C)C)c1cc(/C(C=[N+](C)C)=C/N(C)C)[nH]n1	2
COCC[N@@H+](CC1CC[NH+](Cc2ccccc2OC)CC1)C1CCN(C(C)=O)CC1	2
Cc1cc(C)nc(SCC(=O)c2ccc(Br)cc2)n1	0
Cc1ccc(C(O)(C(=O)Nc2ccccn2)c2ccc(C)cc2)cc1	0
Cc1cn(C(=O)c2ccccc2)c(=O)[nH]c1=O	0
CC(=O)Nc1nc(NC(C)=O)nc(-c2ccccc2C(F)(F)F)n1	0
Cn1c(N2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C	0
CN1CCN(Cc2ccc([N+](=O)[O-])s2)CC1	0
C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cccc(O)c3)CC2)CC1	2
Cc1[nH+]ccn1CC1(CNC(=O)c2cn(C[C@@H]3CCC[NH2+]C3)nn2)CC1	2
Cc1nc2c(c(N3CCC[NH+](C)CC3)n1)CC[N@@H+](C[C@H](O)CO)CC2	2
O=c1c2ccc[nH]c-2cn1Cc1ccccc1Cl	0
CCOC(=O)c1nc2c3cc(C)ccc3n(CC)c(=O)n2n1	0
CN(C(=O)Cc1cccs1)C1(C(=O)NC2CCCC2)CCCCC1	0
COC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CN(C(=O)C[NH+]2CCCCC2)CCO3)C1	2
CCS(=O)(=O)N1CCC([NH2+]C2CC[NH+](C(C)C)CC2)CC1	2
Cc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3)C3CC3)cc2c1	0
CNc1nc(C2CC[NH2+]CC2)nc2c1CC[N@@H+](CCC(=O)N1CCOCC1)C2	2
C[NH+](C)C[C@@H](O)COc1cccc(OC[C@H](O)C[NH+](C)C)c1	2
Nc1ccc(-c2nc3ccccc3s2)cc1	0
Cc1ccccc1C[NH+]1CCC([NH+]2CCCC2)CC1	2
O=C1c2ccccc2OCN1CCO	0
C[C@H]([NH3+])C(=O)N1Cc2ccccc2OC2(CCC(C[NH+](C)C)CC2)C1	2
CCOC(=O)[C@@]1(C#N)[C@@H](c2ccccc2)C(OC)(OC)C1(OC)OC	0
CSc1ccc(/C=N/n2nnnc2N)cc1	0
NC(=O)N(O)[C@@H]1CCc2cc(Oc3ccccc3)ccc21	0
O=C(Nc1ccc(Br)cc1)c1cc2ccccc2c(=O)o1	0
O=[N+]([O-])c1ccc2[nH]c(-c3ccccc3)cc2c1	0
C[NH+](C)CCCNC(=S)N(CC[NH+](C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3	2
Cc1nn(-c2ccccc2)c2sc(C(=O)n3cccn3)cc12	0
COc1ccc(NC(=O)CSc2nnc(C(F)(F)F)n2C)cc1	0
COc1ccc(C(=O)n2ncn(C)c2=S)cc1	0
Cc1[nH]c2ccc([N+](=O)[O-])cc2c1CCN1C(=O)OC(C)(C)[C@]1(C)O	0
Cc1cc(Br)cc(C)c1NC(=O)c1ccc(C(C)C)cc1	0
Cc1cc(C)n(C(=O)CNC(=O)C(c2ccccc2)c2ccccc2)n1	0
CCOC(=O)[C@@]1(c2ccccc2)NC(=O)c2c(sc(C)c2C)N1	0
Cc1ccc(C(=O)COc2ccc(NC(=O)c3ccccc3)cc2)cc1	0
C[C@@]1(O)N(Cc2ccco2)C(=O)OC12CCCCC2	0
CC(=O)c1c(C)n(CCc2ccc(Cl)cc2)c2ccc(O)cc12	0
CC1CCN(C(=O)[C@@H](C)[NH+]2CCC(C[NH+]3CCOCC3)CC2)CC1	2
Cn1c(-c2ccccc2)nnc1S(C)(=O)=O	0
C[NH+](CCO)CC1c2ccccc2C(C[N@@H+](C)CCO)c2ccccc21	2
CC[N@H+]1C[C@H]2[C@@H](c3cc(OC)c4c(c3)OCO4)[NH2+][C@](CO)(CCO)[C@H]2C1	2
COc1ccc(OC)c(-c2ccc(C(=O)N(C)C3CC[NH+](C)CC3)c(N3CC[NH+](C)CC3)n2)c1	2
Cc1ccc(F)cc1NC(=O)CSc1nnnn1C	0
CC(=O)N(C)c1ccc(NC(=O)N2CCOCC2)cc1	0
O=C1C[C@H]([NH+]2CCC(C3CC[NH+]([C@H]4CC(=O)NC4=O)CC3)CC2)C(=O)N1	2
CCOC(=O)c1cccc(NC(=O)N2CCOCC2)c1	0
CCOc1cc(C(=O)Nc2cc(C)on2)cc(OCC)c1OCC	0
O=C(c1ccc(CSc2ccc(Cl)cc2)cc1)N1CCOCC1	0
O=C1C=CC(=O)N1Cc1ccc[n+](CCC[n+]2cccc(CN3C(=O)C=CC3=O)c2)c1	2
COc1ccc(-c2nc(-c3ccc(Br)cc3)cs2)cc1	0
O=C1NC(=S)NC1=Cc1ccc(-c2ccc(Br)cc2)o1	0
CC(C)(C)CN1CCC[C@](O)(C[NH+]2CCC([NH+]3CCCC3)CC2)C1=O	2
S=c1[nH]c2ccccc2n1Cc1ccccn1	0
CC(=O)Oc1cccccc1=O	0
[NH3+]C[C@H](CC(=O)[O-])Cc1ccco1	0
C[N@H+]1C[C@@H](C[NH+]2CCCCC2)[C@H](O)[C@H](c2ccccc2)C1	2
COc1ccc(C[NH2+][C@@H]2[C@H]3CO[C@H](O3)[C@H](N(C)CC[NH+](C)C)[C@H]2O)cc1	2
Cc1cc(C)c(CSC2=[NH+]CCN2)c(C)c1CSC1=[NH+]CCN1	2
O=C(NCc1cccnc1)[C@@H]1CC1(c1ccccc1)c1ccccc1	0
CN(C)c1ccc(NC(=O)C[C@H]2Nc3ccccc3NC2=O)cc1	0
c1ccc2c3c([nH]c2c1)C1(CCCCC1)[NH2+]CC3	1
COc1ccc(NC(=O)C(C#N)=C2NC(C)(C)Cc3ccccc32)cc1	0
CC1(C)C[NH+]=C(NCCNC2=[NH+]CC(C)(C)S2)S1	2
O=C(COc1ccccc1Br)NCc1ccco1	0
Nc1ccc2c(c1)CN1C(=O)c3ccccc3C1=N2	0
O=C1C[C@H](c2cccc(F)c2)Nc2cc3c(cc21)OCO3	0
Cc1ccc([C@@H](CC(=O)Nc2ccccc2C)c2ccccc2)c(O)c1	0
C[C@@H](NC(=S)Nc1ccc(Br)cn1)c1ccccc1	0
CCC(=O)NC(Nc1ccc(O)cc1)(C(F)(F)F)C(F)(F)F	0
S=c1[nH]ccn1Cc1ccco1	0
CCOC(=O)Cc1csc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n1	0
Nc1nnc(Cc2ccc([N+](=O)[O-])cc2)s1	0
COc1ccc2oc(C(=O)c3ccc(F)cc3)c(NC(C)=O)c2c1	0
COc1cccc(CNc2ccc(F)c([N+](=O)[O-])c2)c1O	0
C[n+]1ccc(-c2nc3sc(-c4cc[n+](C)cc4)nc3s2)cc1	2
Cc1ccc2c3c(ccc2n1)NC1=C(C(=O)CCC1)[C@@H]3[C@H]1CC=CCC1	0
CCOc1cc2occ(-c3ccccc3Cl)c(=S)c2cc1CC	0
CCc1cccc2c1S(=O)(=O)c1ccccc1O2	0
CCSC1=NCC(=O)N1c1ccccc1	0
Cc1cc(NC(=O)NC(=O)c2ccc(Cl)cc2Cl)n[nH]1	0
COC(=O)c1cc(=O)n2c(-c3ccccc3)nnc2s1	0
CC[NH+]1CCN(C2CC[NH+](Cc3cc4ccc(Cl)cc4n(CC(=O)OC)c3=O)CC2)CC1	2
C[NH+](C)CCSc1nnc(SCC[NH+](C)C)s1	2
O=C(Nc1ccc(Cl)cc1)Nc1snnc1Cl	0
Cc1cc(C)cc(OCC(=O)Nc2nc(-c3ccccc3)cs2)c1	0
COc1c2occc2c(OC)c2c(=O)cc(CSC)oc12	0
Cc1ccc([C@H]2COc3cc(O)c(O)cc3C2)cc1	0
COC(=O)c1cnn2c(NC3CCCCC3)c(-c3cccs3)[nH]c12	0
COc1ccc(C)cc1NC(=O)Cn1nnc(-c2ccncc2)n1	0
CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1cc3c(cc1Cl)OCO3)CC2	2
Clc1ccc2c(c1)C(N1CC[NH2+]CC1)=Nc1ccccc1O2	1
OC(=COc1ccc(F)cc1)n1nnc2ccccc21	0
Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1	0
C[C@@H](c1cc2ccccc2s1)N(O)C(N)=O	0
CN1CCN(Nc2[nH+]cnc(NCC[NH+]3CCCCC3)c2N)CC1	2
CCOC(=O)CC[C@H]1OC(=O)C(OC)=C1c1ccccc1	0
CSc1nc(N)nc(SCC(=O)C(C)(C)C)c1C#N	0
COc1ccc2c(c1)C[N@H+](C[C@@H]1CCOC1)C[C@@]1(CCC[NH+](C)CC1)O2	2
C[C@H](c1ccccc1)N1C(=O)CC[C@]1(C)C(=O)NC1CCCCCC1	0
C[N@H+]1CCCN(c2cnn(C[C@@H]3CC[NH2+]C3)c(=O)c2)CC1	2
Cc1sc(NC(=O)/C=C/c2ccco2)c(C(N)=O)c1C	0
O=S1(=O)c2ccccc2N(O)C2=NCCN21	0
O=C(c1ccc2c(c1)OCO2)N1CCCc2ccccc21	0
Cc1nc2cccc3nc(NCCC[NH+](C)C)[nH+]c(n1)-n-2-3	2
Cc1ccc(S(=O)(=O)NCc2nnc(N)s2)cc1	0
Cc1cccc2ncc(C(N)=O)c(=O)n12	0
[NH3+]CC(=O)N1CCOCCOCCN(C(=O)C[NH3+])CCOCCOCC1	2
COc1ccc(OCC2=NCCc3ccccc32)cc1	0
C[NH+](C)CCn1c2c(c3ccccc31)C[N@@H+](C)CC2	2
COc1ccccc1N1CC[NH+](C2[C@H]3CCC[C@@H]2C[NH2+]C3)CC1	2
Brc1csc(Cc2c[nH]cn2)c1	0
Cn1c(-c2ccccc2)nn(CN2CCC3(CC2)OCCO3)c1=S	0
O=C1OC(c2ccco2)=N/C1=C/c1cccc(OCc2ccccc2)c1	0
C[NH+]1CCN(C(=O)[C@@]23CC=CC[N@H+](Cc4ccccn4)[C@@H]2CCC3)CC1	2
Cn1cnc2c(NC3CCCC3)ncnc21	0
O=C(Nc1ccccc1)N[C@@H](c1ccccc1)C(Cl)(Cl)Cl	0
Nc1nncc(C23CCN(CC2)C3)n1	0
COc1ccc(S(=O)(=O)N[C@H]2CCc3ccccc32)cc1OC	0
COc1cc2c(c(-c3c(O)c(OC)cc4c3C[N@@H+](C)CC4)c1O)C[NH+](C)CC2	2
C[C@H](O)C[NH+](CCN1CC[NH+](C[C@@H](C)O)CC1)C[C@H](C)O	2
CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CCC(=O)NCC[NH+](C)C)CC1	2
Cn1c(CN2CC[NH+](C)CC2)nnc1C1CC[NH+](C2CCOCC2)CC1	2
COc1ccc(CCC(=O)Nc2ccc(CC#N)cc2)cc1	0
COc1cc(C=C(C#N)C#N)ccc1OCC(=O)Nc1ccc(C)cc1	0
N#CCc1ccc(NC(=O)COc2ccccc2Cl)cc1	0
CCOc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@H+]2CCCC[C@@H]2C)cc1	2
O=C1OC(c2ccccc2)=C/C1=C/c1ccc2c(c1)OCO2	0
Cc1ccc(/C=C/[C@H](C)N(O)C(N)=O)o1	0
COC(=O)[C@@H](C)N(C(=O)c1ccc(Cl)cc1)c1c(C)cccc1C	0
O=C(CSc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2	0
O=C(Nc1nncs1)c1cccc(S(=O)(=O)N2CCCC2)c1	0
CCSC(=O)c1cccc(C(=O)SCC)c1	0
Cc1[nH+]ccn1CC1(O)CCN(C(=O)C2C[NH+](Cc3ccccc3)C2)CC1	2
OCC(CO)[NH2+]Cc1cccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1	2
COc1ccc([C@@H](C#N)OC(C)=O)c(OCc2ccccc2)c1OC	0
C[NH+](C)CCNc1nnc(NCC[NH+](C)C)c2cc3ccccc3cc12	2
CCOC(=O)[C@H](C)Oc1ccc2c(C)c(CCC(C)C)c(=O)oc2c1	0
COCC[NH+]1CCC(C[N@@H+](C)Cc2c(C(=O)N3CCCCC3)nc3sccn23)CC1	2
O=C(Nc1nn[nH]n1)c1cc(-c2cccs2)on1	0
CN1C(=O)N[C@@H](c2ccc(Br)cc2)C2=C1CCCC2=O	0
O=C(NCc1nc(-c2ncccn2)no1)[C@@H]1CC2(CC[NH2+]CC2)C[NH2+]1	2
C[N@H+]1CCC2=C(C1)c1nsnc1SC2	1
Cc1c(NC(=O)CNCCC[NH+](C)C)cccc1[N+](=O)[O-]	1
[NH3+]Cc1cn(C2CC[NH+](Cc3cccn3-c3ncccn3)CC2)nn1	2
Cc1csc(Nc2nc3ccccc3[nH]2)n1	0
Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2)n1	0
CC[NH+](CC)C[C@H](O)CNc1nccc2c(C)c3[nH]c4cc[nH+]cc4c3cc12	2
Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1Br	0
Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1	0
O=c1[nH]c2cc([N+](=O)[O-])ccc2n2cnnc12	0
COc1ccc(OCC[NH2+]CCn2nc([C@@H]3CC[NH2+]C3)c3nccnc32)cc1	2
C[NH+](C)CC(=O)Nc1ccc2n(c1=O)C[C@@H]1C[NH2+]C[C@H]2C1	2
Clc1cccc2c1CN(C1=[NH+]CCN1)C2	1
COc1ccccc1N(CC[NH2+]CCCN1CCOCC1)S(C)(=O)=O	1
CC(C)NC(=O)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CN(C)C)nn1	1
O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1c(F)cccc1F	0
C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2	2
Cc1noc(C)c1COc1ccc2c(C)cc(=O)oc2c1	0
O=C(Nc1ccn([C@@H]2CC[C@@H](CO)O2)c(=O)n1)c1ccccc1	0
CC[NH+]1CCN(CCNC(=O)CC2CCN(c3cc[nH+]c(NC)n3)CC2)CC1	2
CN(C#N)c1nc(N2CCOCC2)nc(N2CCOCC2)n1	0
O=C(NCc1cn2ccsc2n1)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C1CCCC1)C2	2
NC(=O)c1cn(Cc2c(F)cccc2F)nn1	0
O=C1CSc2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2N1	0
NC(=O)c1sc2cc(N3CCC([NH3+])CC3)cc(OCC[NH3+])c2c1N	2
C[NH+](C)CCN1C[C@@H](C(=O)N2CC[NH+](CCCCO)CC2)CCC1=O	2
CN1CC[NH+](C[C@H]2C[C@@H](C(=O)NCC[NH+](C)C)CN(Cc3nccn3C)C2)CC1	2
Cc1noc(COc2ccccc2OCC(N)=O)n1	0
COc1ccc2nc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)sc2c1	0
CC(=O)c1ccc(OC(=O)C2c3ccccc3Oc3ccccc32)cc1	0
NC(=O)c1ccc[n+](CCCCC[n+]2cccc(C(N)=O)c2)c1	2
CC[C@@H]1CN(C(=O)c2cc(CN3CCC(O)CC3)on2)CC[N@H+]1C(C)C	1
O=S(=O)(NCc1cccnc1)c1ccccc1	0
CC1(C)Cc2ccccc2C(N2CCOCC2)=N1	0
O=CNc1ccccc1Oc1ccccc1	0
O=C(CC1CCCCC1)Nc1ccc(I)cc1	0
O=[N+]([O-])c1ccc(/C=C/C2=NN(c3ccccc3)[C@H](c3ccco3)C2)o1	0
C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc2ccccc2oc1=O	0
Nc1nonc1NC(=O)CSc1cccc2ccccc12	0
CCN(C)C(=O)Oc1nsnc1-c1c(Cl)cccc1Cl	0
Clc1ccccc1-c1nnc2c3cnn(-c4ccccc4)c3ncn12	0
[NH3+]C12CC3(F)CC(F)(C1)CC(F)(C2)C3	1
NC(=[NH2+])SC[C@H]1OCO[C@H]1[C@H]1OCO[C@H]1CSC(N)=[NH2+]	2
CCC[N@@H+](C)[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1C[NH2+]C1CCOCC1	2
COc1cccc(C(=O)NN2c3ccccc3CCc3ccccc32)c1	0
O=C(Cn1cnc2ccccc2c1=O)N1CCN(c2ccccc2)CC1	0
Cc1occc1-c1nnc(-c2ccc([N+](=O)[O-])cc2Cl)o1	0
CCOC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccc(Cl)cc1Cl	0
C[N@H+]1CCc2c(Cl)ccc3c2[C@@H](CCC3)C1	1
CN(CC[NH+](C)C)C(=O)c1cccc2c(N)c3ccccc3[nH+]c12	2
Cc1ccc(S(=O)(=O)NCCC(=O)N2CCCCC2)cc1	0
COc1ccccc1[C@H]1c2cc3c(cc2O[C@@](C)(O)[C@@H]1C)OCO3	0
NC(=O)C1=C(c2ccccc2)c2ccccc2C1=O	0
O=C1N(C/C=C/c2ccccc2)CCN1c1cccnc1	0
COC[C@@H]1CCC[NH+](Cc2c(C(=O)N3CCC[N@@H+](C)CC3)nc3sccn23)C1	2
O=C(CCS(=O)(=O)c1cccc2nonc12)Nc1cccc(F)c1	0
Cc1nc2c(-c3ccc(Cl)cc3)c(C)nn2c(N)c1-c1ccccc1	0
CCNC(=O)c1c(NC(=O)c2ccccc2C)sc2c1CCCC2	0
Oc1ccccc1[C@@H](Nn1cnnc1)c1ccc(Br)cc1	0
COc1ccc(C(=O)COc2ccc(Br)cc2)c(O)c1	0
O=C1c2ccccc2C(=O)C1(CO)c1ccccc1	0
Cc1ccc(-n2nnnc2SCC(=O)N2CCOCC2)c(C)c1	0
COC(=O)c1ccc2nc(NC(=O)CN3C(=O)CCC3=O)sc2c1	0
Cc1ccc(C(=O)N2CCCc3ccccc32)cc1Br	0
Cc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1Br	0
CC(=O)c1cccc(NC(=O)COc2ccc(Br)cc2)c1	0
CCc1cc(C(=O)Cc2nc(C)cs2)c(O)cc1O	0
COc1cccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1OC	0
COc1ccc2sc(C(N)=O)c(OC(C)C)c2c1	0
C[NH+](C)CCNC(=O)C[C@@H]1O[C@H](C[NH2+]Cc2ccccn2)[C@@H](O)[C@H]1O	2
CON[C@H]1COc2cc(OC)cc(OC)c21	0
c1cc(-c2cn(-c3ccc(C4=[NH+]CCN4)cc3)nn2)ccc1C1=[NH+]CCN1	2
COc1cc(C)c(Oc2cc(C)cc(O)c2O)c(O)c1	0
CC(=O)N1CCC([N@H+]2C[C@@H]3C[C@H](C2)c2ccc(NC(=O)C[NH+](C)C)c(=O)n2C3)CC1	2
CN(C)C(=O)CN(C#N)c1nc(Cl)nc(N(C)C)n1	0
C[NH2+]CC(=O)Nc1ccc(NC(=O)C[NH2+]C)c2c1C(=O)c1ccccc1C2=O	2
C[C@@H](Cc1ccccn1)[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccccn3)CC2)CC1	2
Cc1nc2ccccc2nc1CSc1nnc(-c2ccccc2)n1C	0
Cn1c(=O)n(C)c(=O)n(CC(=O)N2CCCCC2)c1=O	0
CCN1C(=O)c2cccc3c(S(=O)(=O)NC4CCCC4)ccc1c23	0
C[NH+](C)C[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CC[NH+](C)CC1	2
c1coc(CSc2ncnc3ccccc23)c1	0
CC(C)C(=O)Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1	0
COc1cc([C@@H]2NC(=O)c3ccccc3N2)cc(Br)c1O	0
Cc1nc2c(=O)n(-c3ccccc3)c3c(c(=O)n(C)c(=O)n3C)c2o1	0
CCOC(=O)c1csc(CS(=O)(=O)Cc2ccco2)n1	0
Cc1nnc2n(N)c(=O)c(CC(=O)c3ccc(F)cc3)nn12	0
C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2NS(=O)(=O)c2ccc3c(c2)OCCO3)CC1	2
O=C(C1c2ccccc2Oc2ccccc21)N1CCCc2ccccc21	0
CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)NC(=O)N1	0
COc1ccc(C(=O)NCC(=O)c2ccc(Br)cc2)cc1	0
Cc1ccc(-c2nn(CC(=O)N3CCCC3)c(=O)c3ccccc23)cc1	0
O=C(C=Cc1ccc2c(c1)OCO2)NC(=S)NC1CCCCCC1	0
[NH3+][C@@H]1CSc2[nH]c3ccccc3c2C1	1
O=C1CC(c2ccccc2)=Nc2ccccc2N1C(=O)c1ccccc1	0
C[NH+]1CCN(c2ncccc2C[NH2+]C[C@@H]2CNc3ccnn3C2)CC1	2
Cc1ccc2nc(Nc3ccccc3)c(C=O)c(=O)n2c1	0
Cc1nc(C2CC[NH2+]CC2)cc(N(CC[NH+](C)C)C[C@@H]2CCCO2)n1	2
C=C(C)C[N@H+](C)Cc1cc(OC)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1	2
CC1(C)CC[C@]2(C)CCC(C)(C)[NH+]=C2N1	1
CCOC(=O)c1nn(-c2cc(Cl)cc(Cl)c2)c(=O)cc1Cl	0
CC(=O)Nc1c(Cl)cc(N2C(=O)c3ccccc3C2=O)cc1Cl	0
O=C(C[C@@]1(O)C(=O)Nc2ccc(Cl)cc21)c1ccc([N+](=O)[O-])cc1	0
COc1ccc(C(=O)Nn2cnc3ccccc3c2=O)c(OC)c1	0
CCOc1ccc(NC(=S)NCCc2c[nH]c3ccccc23)cc1	0
c1cc(-c2cc3cc(C4=[NH+]CCN4)ccc3o2)ccc1C1=[NH+]CCN1	2
CCN(CC)C(=O)c1ccc(C(=O)N(CC)CC)cc1	0
C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1	1
Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c(Br)c1	0
Cc1cccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c1C	0
COc1cc(C[NH2+]C[C@@H]2CCc3[nH+]c(N)nc(N)c3C2)cc(OC)c1OC	2
CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	0
Cc1cccc(NC(=S)N(Cc2ccccc2)Cc2ccccn2)c1	0
Cc1cccc(OCC(=O)Nc2ccc(CC#N)cc2)c1	0
COc1ccc(C(=O)N(CCCN2CC[NH+](C)CC2)CCC(=O)N2CC[NH2+]CC2)cc1	2
Cc1ncsc1[C@H](O)c1ccco1	0
COc1ccc(-c2ncnn2-c2ccc(Br)cc2F)cc1	0
CCOC(=O)CN1CC[NH+]([C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)CC1	2
Cc1ncsc1[C@H](O)c1ccsc1	0
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc(Br)cn1	0
Cn1ccnc1C[N@@H+](C)CC1CC[NH+](CCc2cccc(F)c2)CC1	2
Nc1ccn(CCN2C(=O)CS[C@@H]2CO)c(=O)n1	0
Cc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCCCC2)cc1	0
CCOc1ccc(/C=N/c2ccc(Br)c(Cl)c2)cc1	0
C[NH+](C)CCNC(=S)N1CC[NH+](Cc2csc3ccccc23)CC1	2
Cc1cc(N2CCN(C(=O)CCc3cc4n(n3)CC[NH2+]C4)CC2)nc(N)[nH+]1	2
O=C(CSCc1ccccc1Cl)Nc1ccccc1	0
C[C@@H](C[N+]1(C)CCOCC1)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12	2
C[NH+](C)CCNc1ccc(NCC[NH+](C)C)c2c1C(=O)c1c(O)ccc(O)c1C2=O	2
CCc1ccc(-c2csc(NC(=O)c3cccc(Cl)c3)n2)cc1	0
CC[NH+](CC)CCNc1cc(C)[nH+]c2c1C(=O)C(=O)C=C2N1CCCCC1	2
Cc1ccc(-c2nc3ccc(Cl)nc3n2CC(=O)N(C)C)cc1	0
Oc1c(Cl)cc(Cl)cc1/C=N/c1cccc(C(F)(F)F)c1	0
NC(=O)CSc1nnnn1-c1ccc(F)cc1F	0
COC(=O)c1scc(C)c1NC(=O)c1ccc(C(F)(F)F)cc1	0
O=C(CCc1nc2ccccc2s1)NO	0
COc1ccc(OC)c(Nc2nc(-c3ccc(F)c(C)c3)cs2)c1	0
O=c1cc(-c2ccccc2)c2ccc(OCc3ccccc3)cc2o1	0
Cc1c(NC(=O)Nc2[s+]nn(C)c2C)[s+]nn1C	2
CCOc1ccc2cc(-c3ccc(Br)cc3)c(=O)oc2c1	0
Cc1c(-c2ccc(Br)cc2)c(=O)oc2cc(O)ccc12	0
COc1cc(C(=O)N[C@@H]2C[C@H](C)CC(C)(C)C2)cc(OC)c1OC	0
C[NH+](C)CCNC(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(-c2ccccc2)on1	2
Cc1ccc(/C=N/N2CCN(c3ccccc3)CC2)s1	0
O=C1c2nc3n(c2C(=O)c2c1nc1n2CCC1)CCC3	0
CCc1c(-c2ccc(O)cc2)c2ccc3cccc1n32	0
COc1ccc(-c2coc3c2c(C)cc2oc(=O)c4c(c23)CCC4)cc1	0
C[C@@H](C[NH+](C)C)On1c(S[C@@H](C)C[NH+](C)C)nc2ccccc2c1=O	2
c1cnc(N2CC[NH+](CCN3CC[NH2+]CC3)CC2)nc1	2
COc1ccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)OCO3)cc1	0
O=C(Nc1ccccc1)c1sc2ccccc2c1Cl	0
O=C(Nc1ncccn1)c1ccccc1C(=O)Nc1ncccn1	0
CSc1ccc(OCc2ncc([N+](=O)[O-])n2C)cc1	0
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(CSc2ccccc2)c1	2
C(=N/c1ccc2c(c1)OCCO2)\c1ccc(OCc2ccccc2)cc1	0
CC[NH+]1CCC(NC(=O)C[N@@H+](C)CCOc2ccc(Cl)cc2)CC1	2
O=C(N[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCC[C@H]1O)c1ccc(OCC[NH+]2CCCC2)cc1	2
Clc1ccc(-c2csc(N=NCc3ccco3)n2)cc1Cl	0
N#Cc1c(/N=C/c2ccc([N+](=O)[O-])o2)sc2c1CCCC2	0
C[N@H+]1CC2(CC[NH2+]CC2)C[C@@H]1C(=O)NCc1nc(Cc2cccs2)no1	2
O[C@@H](COc1ccccc1C[NH+]1CCN(c2ncccn2)CC1)C[NH+]1CCCCC1	2
COc1cc(C(=O)Nc2ccc(N(C)C)cc2)cc(OC)c1OC	0
CC[C@@H](C)C(=O)Nc1cccc(Br)c1	0
CC(=O)c1c(C)nc2ccc(Br)cc2c1-c1ccccc1	0
Cc1ccccc1C(=O)N1CCN(c2nc3ccccc3s2)CC1	0
CC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1	0
CC(C)(CO)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@@H]([NH3+])CSc1ccccc1	2
S=C(NCCC1=CCCCC1)Nc1ccc(Br)cn1	0
COCCn1cnnc1CCNC(=O)[C@@H]1CC2(CC[NH2+]CC2)C[N@H+]1C	2
CNC(=O)c1cccc(NC(=O)Cc2ccc3ccccc3c2)c1	0
Nc1nnnn1/N=C/c1c(O)ccc2ccccc12	0
[NH3+]Cc1cn(C2CC[NH+](CCn3c(=O)oc4ccccc43)CC2)nn1	2
COc1ccc(Nc2[nH]cc[nH+]2)c(C)c1	1
Cc1c(C#N)c2ccccc2n1CC(=O)NCc1ccc2c(c1)OCO2	0
Cc1c(C#N)c2ccccc2n1CC(=O)NCc1ccco1	0
O=C(Oc1ccccc1)c1cc2cc(Cl)cc(Cl)c2oc1=O	0
O=C(Nc1ccc(Cl)cc1)c1cc[nH]n1	0
C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H](COc3ccc4c(c3)CCC4)C2)C1	2
Cc1c(NC(=O)c2ccn[nH]2)c(=O)n(-c2ccccc2)n1C	0
COc1ccccc1NC(=O)c1cc[nH]n1	0
Cc1nnc(CC[NH2+]Cc2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)[nH]1	2
COC(=O)c1ccccc1NC(=O)c1c(Cl)cccc1Cl	0
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](O)[C@@H]([NH3+])CCCC[NH3+]	2
O=C(Cc1ccc(Br)cc1)NC[C@@H]1CCCO1	0
CCC[NH+](Cc1ccc(OC)c(OC)c1)[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C	2
O=C1Nc2ccc(CNS(=O)(=O)c3ccccc3)c3cccc1c23	0
CCOC(=O)[C@@H](C)Oc1ccc2c(oc(=O)c3ccccc32)c1C	0
CCOC(=O)c1sc(N)c(C#N)c1C	0
CC(=O)N(CC[C@@H](c1ccc(C)cc1)c1ccco1)Cc1ccccc1	0
O=C1N=C(NC2CC2)O[C@H]1c1ccccc1	0
O=C(Nc1ccc(Cl)cn1)C1c2ccccc2Oc2ccccc21	0
Nc1nc(-c2ccncc2)cc(=O)[nH]1	0
CCC(CC)n1ccc2c3c(N)nc(N)nc3ccc21	0
O=C(Nc1ccc(C2=[NH+]CCN2)cc1)c1cc2ccc(C3=[NH+]CCN3)cc2[nH]1	2
Nc1c2ccccc2[nH+]c2c(C(=O)NCC[NH2+]CCO)cccc12	2
CC(C)(C)NC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1	0
Cn1ccnc1S(=O)(=O)/C(C#N)=C/c1ccc2c(c1)OCO2	0
C[C@]1(CCCOc2ccc(N)cc2)NC(=[NH2+])NC(=[NH2+])N1c1ccccc1	2
O=C(Nc1ccc2c(c1)OCO2)c1cncc(Br)c1	0
Cc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cn1	0
O=C(Nc1ccc(Br)cn1)c1ccccc1[N+](=O)[O-]	0
CN1[C@@H](CCC(=O)Nc2ccccc2)CNC(=O)[C@@H]2[C@H]1CCN2Cc1ncc[nH]1	0
CC[NH+](CC)CCn1c(CC[NH+]2CCOCC2)nc2ccccc21	2
O=C(CSc1nc2cc(Cl)ccc2s1)NC[C@@H]1CCCO1	0
CC(=O)Nc1ccc(Nc2nc(-c3cccnc3)cs2)cc1	0
Cc1ccc(-c2noc(COc3ccc4c(c3)OCO4)n2)cc1	0
CCN1/C(=C\C=C2C(=O)OC(C)(C)OC2=O)Sc2ccccc21	0
CCN(C(=O)COc1ccccc1)c1ccccc1	0
CCC[NH+]1CCC([NH+]2CCC(O)(c3ccc(Br)cc3)CC2)CC1	2
Cc1cc(S(=O)(=O)N2CCOCC2)c(C)cc1Br	0
Fc1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)cc1	0
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1SC(F)F	0
COc1ccc(CNC(=O)c2ccc(C)c(C)c2)cc1	0
Cc1c(/N=C/c2cc(Br)ccc2O)cccc1[N+](=O)[O-]	0
COc1cc(OC)cc(C(=O)Nc2ccc(F)c(F)c2)c1	0
CC[NH+]1CCC([NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)CC1	2
O=C([C@H]1CSCN1C(=O)Cc1ccccc1)N1CCCC1	0
CNc1nccn2c(Br)cnc12	0
Brc1cscc1Cc1c[nH]cn1	0
S=C(NCc1ccco1)Nc1nccs1	0
CC[C@@H](C(=O)Nc1nnc(C)s1)c1ccccc1	0
c1ccc2c(c1)ncc1ncnnc12	0
COc1ccc([C@@H](C[N+](=O)[O-])n2nc(C)cc2C)c(OC)c1	0
NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1	0
CN1C(=O)[C@@](O)(CC(=O)c2cccnc2)c2ccccc21	0
NC(=[NH2+])NCCC[C@@H](NC(=O)C[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1	2
CCSc1nnc2c(n1)O[C@@H](C)Nc1ccccc1-2	0
COCc1cc(C)c(C#N)c(SCc2nc3ccccc3[nH]2)n1	0
COc1ccc(OC)c(N2C(=O)C[C@H](Cc3ccc(C)cc3)C2=O)c1	0
O=C(NCCC(c1ccccc1)c1ccccc1)c1cccs1	0
CCOc1ccccc1N(CC(=O)Nc1cccnc1)S(C)(=O)=O	0
O=C(CC[n+]1ccccc1)OCCOC(=O)CC[n+]1ccccc1	2
CCOc1ccc(/C=C2\C(=O)ON=C2c2ccc([N+](=O)[O-])cc2)cc1	0
Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1cccs1	0
Cc1ccc(NC(=O)CSc2nnc3n(N)cnn23)cc1	0
C[N@@H+](CCN1CCOCC1)Cc1ccccc1OC[C@@H](O)C[NH+]1CCSCC1	2
COc1ccc(NC(=O)C2C(c3ccccc3)=C2c2ccccc2)cc1	0
CN1CCN(C(=O)c2cn(CC[C@@H]3CCCC[NH2+]3)nn2)CC12CC[NH2+]CC2	2
CC(=O)NN1C(=O)c2ccccc2N[C@@H]1c1ccccc1O	0
CC1=[NH+]N(CCN2CC[NH+](C)CC2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C	2
S=c1sc2ccccc2n1Cn1c(=S)sc2ccccc21	0
Cc1nc(SCC(=O)OCc2ccccc2)c(C#N)c(C)c1C	0
Cc1ccc(C(=O)c2oc3nc(C)ccc3c2NC(N)=O)c(C)n1	0
CCOc1ccc([C@@H](CC(=O)c2ccccc2)C(C#N)C#N)cc1OC	0
COc1ccc(CN2CCC[C@@H](C[NH3+])C2)cc1OC	1
COc1ccc(N2C(=O)C[C@H]([NH2+]C3CCN(c4cc(C)[nH+]c(C)n4)CC3)C2=O)cc1	2
CSC1=NSC2=NC(=O)/C(=C\c3ccc(SC)cc3)C(=N)N12	0
COc1ccc(CCNc2ncnc3sc(C)c(C)c23)cc1OC	0
COc1ccc([C@H]2CCN(C(C)=O)C2)cc1OC1CCCC1	0
COc1ccc(-c2noc(C[NH+]3CCC(C(=O)NCC[NH+]4CCCC4)CC3)n2)cc1OC	2
C[N+]1=C2C=C(N)C(=O)c3[nH]cc(c32)CC1	1
Cn1nc(C2CCN(C(=O)[C@@H]3CCC[NH2+]C3)CC2)cc1C[NH+](C)C	2
CC[C@H]1CN(C(=O)c2ccc(N(C)CCn3cc[nH+]c3C)nc2)CC[N@H+]1C(C)C	2
COc1ccc(CN2CC[C@@H]([NH2+]CCC[NH+](C)C)[C@H](O)C2)cc1	2
O=C1CCCc2c1cnn2Cc1ccccc1	0
CCc1nnc(SCC(=O)N2CCCc3ccccc32)n1N	0
O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)c1ccccc1	0
[NH3+]Cc1cc(=O)[nH]c(-c2cccc(C[N@H+]3CCC[C@@H]3Cn3ccnc3)c2)n1	2
CN1CCC([N@@H+]2C[C@@H]3C[C@H](C2)c2ccc(NC(=O)NC4CCCCC4)c(=O)n2C3)CC1	1
CC[N@H+]1CCC[C@@H](CN2CCC([NH+]3CCSCC3)CC2)C1	2
Cc1n[nH]c(C)c1CCN(C)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1	2
Cc1cccc(C)c1N(CC(=O)NC1CCCC1)S(C)(=O)=O	0
COC(=O)CCC(=O)Nc1sc2c(c1C(=O)OC)CCCC2	0
CC[N@@H+](CCn1cccn1)Cc1cccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c1	2
CC(C)N1C(=O)[C@H]2Cc3nc[nH]c3CN2C1=O	0
C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCc3cn4ccccc4n3)C2)CC1	2
CC(=NNC(N)=[NH2+])c1cnc(N=NC(C)c2c[nH+]c(NN)nc2C)nc1C	2
CN1CCN(c2nccs2)CC1	0
Cc1ccc(C(=O)Nc2nc3ccccc3c(=O)n2C)cc1	0
CC(C)c1ccc(CNC(=O)c2ccccc2Cl)cc1	0
Cc1c(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)nnn1C1CC[NH2+]CC1	2
O=[N+]1Cc2ccccc2[C@H](O)C12CCCCC2	1
O=C(C[NH+]1CCCCC1)NCCNC(=O)C[NH+]1CCCCC1	2
Cn1nc(C(=O)NCC[NH+]2CCCCC2)c2c1CC[C@@H]([NH2+]Cc1ccco1)C2	2
N#CCN(CC#N)S(=O)(=O)c1cc(Cl)ccc1Cl	0
COc1ccccc1C(=O)Nc1nc(C)c(C(C)=O)s1	0
C[C@@H]1C[C@H](OC(=O)CN2CCCC2=O)CC(C)(C)C1	0
CCCC[NH+]1CCN(Cc2cc3n(n2)CCN(c2nc(N)cc[nH+]2)C3)CC1	2
COC(=O)c1ccccc1O	0
Cc1cccc(CCNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](C(C)C)CC3)C2)n1	2
O=C([O-])C[NH2+]Cc1ccccc1O	0
CC(=O)Oc1c(C)cc(C[N@H+]2C[C@H](O)[C@@H](N3CC[NH+](C)CC3)C2)cc1C	2
CSc1nc(N)n2nc(-c3ccccc3)cc2n1	0
O=C1c2[nH]c3ccccc3c2C(=O)c2cnc3ccccc3c21	0
CC[NH+]1CCN(Cc2nc(-c3c(C)ncc4c3CC[NH2+]C4)no2)CC1	2
C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C[C@@H](O)C2=O	0
COc1ccc(O)c([C@H]([NH3+])C(=O)[O-])c1	0
Cc1ccc(N2CC3=C(C2=O)[C@@H](c2ccccc2)NC(=O)N3C)cc1C	0
C[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3ccc4nsnc4c3)C[C@@H]2CO)CC1	2
Cn1ccnc1SCC(=O)Nc1ccccn1	0
C/C=C(\C)C[N@@H+]1CCc2nnc([C@@H](C)NC(=O)C3CC[NH+](C)CC3)n2CC1	2
CCN(C(=O)c1cc(Cl)ccc1OC)c1ccccc1	0
Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1	0
CCC[NH2+]Cc1cccn1-c1nnc(N2CC[NH+](C)CC2)s1	2
NS(=O)(=O)c1ccc2c(c1)C=CS2(=O)=O	0
C[NH+](C)CCN1C(=O)C[C@@](CC(=O)N2CC[NH+](C3CCCC3)CC2)(c2ccccc2F)C1=O	2
CC(=O)c1nnn(-c2ccccc2)c1Nc1ccccc1	0
CC(C)(O)C[C@](C)(O)c1ccc(Cl)cc1	0
CCCc1cc(=O)oc2cc(OC(=O)c3ccc(Cl)cc3)ccc12	0
C[NH2+][C@H]1Cc2cccc3[nH]c(=O)n(c23)C1	1
N#Cc1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CCC2	0
CCN1c2ccccc2N[C@@H]1SCC(=O)Nc1ccc(Cl)cc1	0
[NH3+]CCNc1ccc(NCC[NH3+])c2c1C(=O)c1ccccc1C2=O	2
COC(=O)CCc1[nH]c2c(C)cccc2c1Sc1ccc(C)cc1	0
N#Cc1cn(CC(=O)NCc2ccccc2)c2ccccc12	0
Cn1c2c(c3cc(C4CCCCC4)ccc31)CCC/C2=N\O	0
CCOC(=O)N1CCN(Cc2oc(CO)cc(=O)c2O)CC1	0
O=C(CSC1=NCCS1)Nc1ccc(OC(F)(F)F)cc1	0
O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccn(Cc2ccccc2)n1	0
C[NH+](C)CCNC(=O)C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1	2
CCc1cccc(NC(=S)Nc2ccc(C)c(C)c2-n2cccc2)c1	0
CC(C)CN1CCO[C@@H](CNC(=O)CN(CC(N)=O)C(C)C)C1	0
O=c1[nH]c(-c2ccccc2)cn2ccnc12	0
Clc1ccc(Cl)c2c1N[C@H](c1cccnc1)[C@@H]1CC=C[C@H]21	0
CC[N@H+]1CCC[C@@H]1CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(OC)cc1	2
[NH3+][C@H](C(=O)[O-])c1ccccc1O	0
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
NS(=O)(=O)c1ccc(-c2ccc(/C=N/n3cnnc3)o2)cc1	0
[NH3+]Cc1ccc(-c2nc3ccccc3n2OC[C@@H]2C[C@@H](O)C[NH2+]2)cc1	2
COc1cc2ncnc(Nc3ccc(O)cc3)c2cc1OC	0
O=C(O/N=C/c1ccc2c(c1)OCO2)c1ccccc1Cl	0
COc1cc(/C=N/n2cnc3c(sc(=S)n3C)c2=O)ccc1O	0
CCC[NH+]1CCC([N@@H+](C)CCc2ccc(OC)c(OC)c2)CC1	2
CCOC(=O)CNc1nc(C#N)nc(N2CCOCC2)n1	0
COc1cc(=O)n(C)c2c(OC[C@@H]3OC(C)(C)OC3(C)C)cccc12	0
COCCNC(=O)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CN(C)Cc2ccccc2)nn1	1
O=C(NCCc1ccccc1)c1cc2c([nH]c1=O)CCCC2	0
COc1cc([C@@H]2CC(=O)Nc3ccccc3S2)cc(OC)c1OC	0
Cc1cc(=O)n2c(n1)NC(=[NH+]CC[NH+]1CCCCC1)N[C@@H]2c1ccccc1	2
Fc1ccc(NC(=S)NC[C@@H]2CCCO2)cc1Cl	0
CC[NH+](CC)CCN(C)C(=O)C[C@@]1(c2cccc(F)c2)CC(=O)N(CC[NH+](C)C)C1=O	2
O=C(Nc1ccccc1)c1ccccc1/N=C/c1ccc(Cl)cc1	0
COC(=O)c1ccc(CN(C)c2cc(OC)c(OC)c(OC)c2)cc1	0
c1ccc2c(c1)nnn2-c1ncnc2sc3c(c12)CCCC3	0
CCc1ccc(N2C(=O)CS(=O)(=O)[C@@H]2c2ccc(Cl)cc2)cc1	0
CN(C)C(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1	0
CN1CCC([N@H+]2CCC[C@@H](NC(=O)c3cnn(-c4ccccc4)c3)C2)CC1	1
C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2ccnc(N3CCCC3)n2)CC1	2
CCOC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1	0
C[NH+]1CCC(NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2[NH+]2CCCC2)CC1	2
[NH3+]Cc1cn(C2CC[NH+](Cc3ccc4nonc4c3)CC2)nn1	2
CC(C=NNC1=[NH+]CCCN1)=N[NH+]=C1NCCCN1	2
CN(/N=C\C=N/N(C)C1=[NH+]CCCN1)C1=[NH+]CCCN1	2
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	0
NC(=[NH2+])NC(=[NH2+])N(Cc1ccccc1)Cc1ccccc1	2
C[C@@H](CNC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)N1CCOCC1	1
C[C@H](c1ccc(Cl)cc1)N(O)C(N)=O	0
C[NH+]1CCN(c2c3c([nH+]c4ccccc24)CCCC3)CC1	2
C[N+]1(CCCCC[N+]2(C)CCCCC2)CCCCC1	2
Cn1ncc2c(NNS(=O)(=O)c3ccccc3)ncnc21	0
O=S(=O)(Cc1ccccc1)N1CCc2ccccc2C1	0
O=S(=O)(Cc1ccccc1)NC1CCCCCC1	0
COc1ccc2c(OC)c3ccoc3nc2c1OC	0
Cc1c(C(=O)Nc2nnc(CC3CCCC3)s2)cccc1[N+](=O)[O-]	0
Nc1nccc(-c2ccc3c(c2)OCCO3)n1	0
Cc1cccc(NC(=O)CSc2ccccn2)c1C	0
NC(=[NH2+])c1cccc(Oc2ccc(C(N)=O)c(Oc3cccc(C(N)=[NH2+])c3)n2)c1	2
COc1c2c(nc3ccccc13)O[C@@H]([C@@](C)(O)CO)C2	0
Clc1ccccc1-c1nnc(-c2ccc(Br)cc2)o1	0
Cn1c2c(c3c1CC[N@H+](C)[C@@H]3c1cccnc1)[C@@H](c1cccnc1)[NH+](C)CC2	2
CCn1ccc(NS(=O)(=O)c2ccc(N)cc2)nc1=O	0
C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@@H](C[NH2+]CCCn3ccnc3)C(=O)O[C@@H]1C2	1
CC(C)(CN1CCOCC1)C[N@H+]1CC[C@@H](N2CC[NH+](CCc3ccccc3)CC2)[C@H](O)C1	2
C1Cc2c(c(C[NH+]3CCOCC3)c3c(c2C[NH+]2CCOCC2)CCC3)C1	2
Cc1cccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Oc2ccccc2)c1	0
Cc1nc2nc(NCCC[NH+](C)C)nc(NCCC[NH+](C)C)c2nc1C	2
CC[N+](C)(CC)CCOc1n[n+](C)cc2ccccc12	2
O=C(/C=C/C(=O)c1cccc([N+](=O)[O-])c1)NCc1ccccn1	0
COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)CC1	2
COc1ccc(OC[C@@H](O)C[NH+](C)C)c(C[NH2+]Cc2ccc(C)o2)c1	2
COC(=O)c1sc2cc([N+](=O)[O-])ccc2c1N	0
CCOC(=O)n1nc(N)c2c1CN(C(=O)OC(C)(C)C)C2	0
COc1ccc(C(=O)OCC(=O)c2ccccc2)cc1Br	0
CCc1ccccc1NC(=O)c1ccc(OC)cc1OC	0
Cc1sc2ncn(CC(=O)NC[C@@H]3CCCO3)c(=O)c2c1C	0
Cc1cc(C)[n+]2cc(Br)ccc2n1	1
Cc1c(F)c(Oc2cccc(C(N)=[NH2+])c2)nc(Oc2cccc(C(N)=[NH2+])c2)c1F	2
CCN(CC)c1ccc(NC(=S)Nc2ccc(OC)cc2)c(C)c1	0
COC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(Cl)cc2)c1	0
Clc1ccccc1-c1nc(-c2ccncc2)no1	0
c1ccc2c(c1)nc(NC[C@@H]1CCCO1)c1cncn12	0
CCOC(=O)c1cn([C@H]2CC(O)(O)[C@@H]3OC[C@H]2O3)nc1N	0
[NH3+]CCn1cc(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)nn1	2
Cc1nc2c(cnn2-c2ccccc2)c(=O)n1CC(=O)OC(C)C	0
C=CCc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(OCC)c1O	0
CCOC(=O)/C=C1\NC(C)(C)Cc2cc3c(cc21)OCCO3	0
O=C1ON=C(c2ccco2)/C1=C/c1ccco1	0
O=c1[nH]nc2n1-c1ccccc1SC2	0
C[NH+](C)CCC(=O)C(=Cc1ccc(O)cc1)C(=O)CC[NH+](C)C	2
CC(C)c1nnc(NC(=O)CSc2nncn2C)s1	0
COC(=O)[C@@H](C)c1ccc(-c2ccsc2)cc1	0
CCn1c(SCc2ccccn2)nc2ccccc2c1=O	0
O=C(c1cc2ccccc2oc1=O)n1cc([N+](=O)[O-])cn1	0
COc1ccc(C[NH2+]CCNC(C)=O)cc1OC[C@@H](O)C[NH+]1CCCCC1	2
OC[C@@H](O)[C@H](O)[C@@H](O)c1cnn(-c2ccccc2)n1	0
CC(=O)c1c(C)nc(N2CCOCC2)nc1N1CCOCC1	0
C[NH+](C)C1(CNC(=O)c2cn(CC[C@@H]3CCCC[NH2+]3)nn2)CCOCC1	2
CC(C)OC[C@H](O)C[NH+]1CCN(CC(=O)N2CCN(C)CC2)CC1	1
O=C(c1ccccc1)c1ccc(N2CCCCC2)cc1	0
Cc1c(C#N)c2nc3c(c(-c4ccccc4)c2n1-c1ccccc1)CCC3	0
COc1cccc(/C=C2\SC(N3CCC[C@H](C)C3)=NC2=O)c1OC	0
CCOc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)ccc1OC	0
C[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@@H+](Cc3cccc(O)c3)C2)CC1	2
Cc1nonc1NC(=O)CN1C(=O)c2ccccc2C1=O	0
Fc1cccc(F)c1CSc1nc2ccccc2s1	0
COc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1	0
COC(=O)CCC(=O)Nc1nc(-c2ccccc2)cs1	0
COC(=O)c1ccc(NS(C)(=O)=O)cc1	0
O=C1C[C@@H](Nc2c[nH]c(=O)[nH]c2=O)C(=O)N1c1ccccc1	0
COc1ccccc1Nc1nc(-c2ccccc2F)nc2ccccc12	0
N#C[C@H](C(=O)Nc1ccncc1)C(=O)C1CC1	0
O=c1c2cc(-c3ccccc3)sc2ncn1CCOc1ccccc1	0
NC(=O)c1c(NC(=O)CCc2ccccc2)sc2c1CCCC2	0
CCc1nc(C)ccc1OCC(=O)N(CC)CC1CC[NH+](C2CC[NH+](C)CC2)CC1	2
COc1cc(-c2ccccn2)nc(/C=N/O)c1SC	0
CN(C)C(=O)CCNc1ccc(Br)cc1	0
CC[NH+](CC)CC(=O)N1CCC(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccccc2)C3)CC1	2
C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(Br)o2)CC1	2
O[C@@H]1CN(C2CC[NH+](Cc3ccccn3)CC2)CC[C@H]1[NH+]1CCCCCC1	2
CNC(=O)/C(=C/c1ccccc1F)NC(=O)c1ccc([N+](=O)[O-])cc1	0
CN1CCN(Cc2nnc(C3CC[NH+](C[C@@H]4[C@H]5C[NH2+]C[C@H]54)CC3)n2C)CC1	2
Cc1[nH+]ccn1CCNC(=O)[C@@H]1CCC[N@H+](C2CCN(C)CC2)C1	2
C[C@@H]1CCC[N@H+](C[C@@H](C)NC(=O)N2CCN(c3cc[nH+]cc3)CC2)C1	2
Cc1ccc2[nH]c(=O)c(C[NH+]3CCC(n4cc(C[NH3+])nn4)CC3)cc2c1	2
O=C1C[C@H](c2ccc(F)cc2)Sc2nc(-c3ccc(F)cc3)nn21	0
CCc1c(O)c(=O)ccn1CC	0
Cc1c(NC(=O)c2ccco2)cc2c(c1[N+](=O)[O-])C(C)(C)CC2(C)C	0
CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCC[NH+](C)C)[NH+](C)C)cc1	2
C[NH+]1CCN(C[C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3CNC(=O)c2ccc3c(c2)OCO3)CC1	2
Cc1cn2c(nc1=O)O[C@H]1[C@H](O)[C@H](COC(=O)c3ccccc3)O[C@H]12	0
Cc1ccc(C)c(Cc2c(C)nc3c(C(=O)NC4CC4)cnn3c2C)c1	0
C[NH2+][C@@]12CC=CC[C@H]1COc1ccccc12	1
Cc1cccc(Sc2cccc(N)c2C#N)c1	0
O=C1CCC(c2ccc(-n3ccnc3)cc2)=NN1	0
O=C(COc1ccc(Cl)cc1Br)Nc1cccnc1	0
O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cccc2ccccc12	0
Nc1ccc(C(=O)Nc2ccccc2N)cc1	0
C[C@@H]1Nc2nc(NC(=O)c3ccc[n+](C)c3)[nH]c(=O)c2N(C(=O)c2ccc[n+](C)c2)[C@@H]1C	2
COc1ccc2c(c1)c(-c1ccccc1)nc(=O)n2CC1CC1	0
COC(=O)c1nnn(-c2cccc(Cl)c2)c1C(=O)OC	0
CCc1cccc(CC)c1NC(=O)Cn1c(=O)sc2ccccc21	0
O=C(c1cccnc1)N1CCC(Cc2ccccc2)CC1	0
O[C@@H](CN1CC[NH2+]CC1)Cn1ccnc1-c1cc2n(n1)CC[NH2+]C2	2
CCCN(Cc1nc(C(=O)OC)co1)C(=O)Nc1cccc(OC)c1	0
N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)NC[C@@H]1CCCO1	0
O[C@@]12Oc3ccccc3C=C1[NH+]1CCC2CC1	1
COc1ccc(OC[C@@H](O)C[NH2+]CCC[NH+](C)C)c(C(C)(C)C)c1	2
COc1ccc(CNc2ccc3c(c2)ncn3-c2ccc(C)cc2)cc1	0
Cn1c(=O)c2c(ncn2C[C@@H](O)CNc2ccc(F)cc2)n(C)c1=O	0
O=C(Nc1ccc(C2=[NH+]CCCN2)cc1)c1ccc(C(=O)Nc2ccc(C3=[NH+]CCCN3)cc2)nc1	2
Nc1c(-c2ccc(C3=[NH+]CCN3)cc2)[nH]c2cc(C3=[NH+]CCN3)ccc12	2
C[NH+](C)C[C@@H]1CC2(C[C@@H](C[NH+](C)C)C1=O)OCCO2	2
Nc1nnnn1CC(=O)NC1(C(=O)Nc2ccccc2)CCCCC1	0
COc1ccc(CCC(=O)Nc2cc(C)c(O)c(C)c2)cc1	0
C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1	2
C[NH+](C)CCC1CC[NH+](C[C@@H](O)Cn2c(-c3ccccc3)noc2=O)CC1	2
CN1CCC([NH2+]CC2CCC(C[NH2+]C3CCN(C)CC3)CC2)CC1	2
CSCC[NH2+]Cc1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1	2
O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc2ccccc12	0
O=S(=O)(Nc1ncccn1)c1ccccc1	0
COc1ccc(OCc2ccc(C(=O)Nc3nncs3)cc2)cc1	0
Cc1cc(C)c(C[N@H+]2C[C@H](O)[C@@H](N3CC[NH+](C)CC3)C2)c(-n2cccn2)c1	2
CC(C)NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1	0
COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccccc1	0
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CS[C@H](CC[NH3+])CCCCC[NH3+])[C@@H](O)[C@@H]1O	2
CCC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC	0
O[C@H](Cn1ccnc1)c1ccc(CCc2ccccc2)cc1	0
NC(=O)CN1CCN(c2ccnc3cc(Cl)ccc23)CC1	0
Cc1cnc(NS(=O)(=O)c2ccc(F)cc2)c(Br)c1	0
C[n+]1ccc(/C=N/O)cc1C(=O)NCC[N+](C)(C)C	2
O=Cc1ccc2c(c1)OCO2	0
CN1[C@@H](CCC(=O)N2CC[NH+](C)CC2)CNC(=O)[C@@H]2[C@H]1CC[N@@H+]2C1CCOCC1	2
CNC(=O)[C@@H]1C[C@@H](n2cc(-c3ccc(CN4CCC[N@@H+](C)CC4)cc3)nn2)C[NH2+]1	2
Oc1ccc(Cl)cc1Nc1nc(-c2ccccc2)nc2ccccc12	0
Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1	0
O=c1[nH]c2c(Cc3nn[nH]n3)c3ccccc3n2c2ccccc12	0
COc1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c(OC)c1	0
Cn1c[n+](NC(=O)c2ccc(-c3ccc(C(=O)N[n+]4cnn(C)c4)cc3)cc2)cn1	2
Cn1nc(O[C@@H]2c3cc(C#N)ccc3OC(C)(C)[C@@]2(C)O)ccc1=O	0
C[N+]1(C)CCN(C(=O)CCC(=O)N2CC[N+](C)(C)CC2)CC1	2
CC1(C)Cc2c(sc(NC(=O)Nc3ccccc3)c2C(N)=O)CO1	0
C[C@@H](Cc1ccccc1)[N+]1(C)CC[N+](C)(c2ccccc2)CC1	2
O=C(NCc1ccc(F)cc1)[C@@H]1CC(=O)N(C2CCCCCCC2)C1	0
CN1CCC[NH2+]CCN(CCc2ccccn2)CCC[N@@H+](C)CC1	2
C[N+]1(CCNC2=CC(=O)C(NCC[N+]3(C)CCOCC3)=CC2=O)CCOCC1	2
Nc1nnnn1/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	0
C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)OCCO2	0
NC(=[NH2+])c1ccc2oc(C=Cc3nc4ccc(C(N)=[NH2+])cc4[nH]3)cc2c1	2
CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[NH+]1CCC([NH+]2CCCCC2)CC1	2
Nc1nc2c(ncn2[C@@H]2CC[C@H](CO)O2)c(=O)[nH]1	0
CC[N@H+]1CCC[C@@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(NC(C)=O)c1	2
Cc1nccc(N2CCN(S(C)(=O)=O)CC2)n1	0
COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3cccnn23)cc1	0
CCOC(=O)CCc1ccc2c(c1)N[C@@H](c1ccc([N+](=O)[O-])s1)O2	0
N#Cc1c(SCc2ccccc2)nc2c(c1[C@@H]1CC=CCC1)CCC2	0
O=C(Nc1ccccc1Br)c1ccc(Cl)cc1Cl	0
O=C(CSc1nc2cccnc2[nH]1)N1CCOCC1	0
OC[C@@H]1CCC[N@H+]1Cc1cn(C2CC[NH+](C3CCCC3)CC2)nn1	2
CC(C)[NH2+]Cc1cccc(OCCOc2nccnc2N2CC[NH2+]CC2)c1	2
Fc1cccc(Cn2nc[nH]c2=S)c1	0
FC(F)(F)c1ccn(-c2ncnc3scc(-c4ccccc4)c23)n1	0
CSc1ccc(/C=N/c2cc([N+](=O)[O-])ccc2F)cc1	0
O[C@@H](COc1ccccc1C[NH2+]CC1CCOCC1)C[NH+]1CCSCC1	2
O=C(COc1cccc2ccccc12)Nc1cc(Cl)ccc1Cl	0
Cn1c(=O)n(C)c2cc(C[NH2+]CC3CC[NH2+]CC3)ccc21	2
O=C(CN1C(=O)c2ccccc2C1=O)N1CCN(c2ccccc2)CC1	0
CN1C[C@H](c2cccc(O)c2)O[C@H]1C(C)(C)C	0
N#CCc1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	0
CC[NH+](CC)Cc1cnc2c(C(=O)NCCn3cc[nH+]c3C)cnn2c1	2
Cc1cc(N2CCC([NH2+]Cc3nc(-c4cnccn4)n[nH]3)CC2)nc(N)[nH+]1	2
Cc1cc(C(F)(F)F)nn1CC(=O)N1CCOCC1	0
CCOC(=O)[C@@H](C(=O)Nc1cc(N(C)C)ccc1C)C1CCCCC1	0
c1cc(C[N+]23CN4CN(CN(C4)C2)C3)ccc1C[N+]12CN3CN(CN(C3)C1)C2	2
O=C(CCc1ccccc1)N1CCC[C@H]1c1nc(-c2ccccc2)no1	0
CCOC(=O)C1=CN(C(C)C)C=C(C(=O)OCC)C1c1cccs1	0
Cc1ccc([N+](=O)[O-])c2nsnc12	0
COc1cc(OC)nc(Oc2ccc(NC(C)=O)cc2)n1	0
O=C(NCCc1csc(-c2cccnc2)n1)[C@@H]1CC2(CC[NH2+]CC2)C[NH2+]1	2
N#Cc1ccc(OCC(=O)N/N=C/c2ccc3c(c2)OCO3)cc1	0
Cn1cnc2ccc([N+](=O)[O-])cc2c1=O	0
Cn1ncc(-c2nc(-c3cc(Cl)c(N)c(Cl)c3)no2)c1Cl	0
CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc2c(c1)OCCO2	2
Clc1ccc(C2(Cn3cncn3)OCCO2)c(Cl)c1	0
CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccccc1C	0
CCOc1ccnc(N2CCN(C(=O)c3cccs3)CC2)n1	0
C[N+](C)(C)CCC[N+](C)(C)CCN1C(=O)c2cccc3cccc(c23)C1=O	2
CCc1[nH+]ccn1C[C@@H](C)C(=O)N1CCc2nc([C@@H]3CC[NH2+]C3)ncc2C1	2
O=C(/C=C/c1ccc(OCc2ccccc2)cc1)Nc1ccccc1F	0
C[C@H]1CCC[N@H+](C[C@@H](O)CN2CCN(C[C@@H](O)C[NH+]3CCC[C@@H](C)C3)C[C@H]2C)C1	2
CNc1nn2nnnc2c2ccccc12	0
CC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)N(C)C1=C2CC=CC1	0
O=C(Nn1c(C2CCCCC2)nc2ccccc2c1=O)c1cccnc1	0
COc1ccccc1[C@H](O)c1nc2ccccc2n1Cc1ccccc1	0
CC[NH+]1CCN(CC(=O)N2CC[C@@]3(CCC[N@@H+](CC4CC4)C3)C2)CC1	2
COc1ccc([C@@H]2c3c(noc3C)C[C@](C)(O)[C@@H]2C(C)=O)cc1	0
COc1ccccc1[C@@H]1C2C(=O)CCCC2=Nc2nc3ccccc3n21	0
Cc1ccc(CCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)o1	0
Cn1cc(C(=O)NC2CC[NH+](C)CC2)c(C(=O)NC2CC[NH+](C)CC2)n1	2
CC(=O)Oc1ccccc1N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O	0
Cc1cc(=O)oc2ccc(OC/C(=N/O)c3ccc(Cl)cc3)cc12	0
Cc1ccc(-c2cc(C(=O)NCCC(C)C)c3ccccc3n2)cc1C	0
C[N+](C)(C)CCOC(=O)/C=C/C(=O)OCC[N+](C)(C)C	2
O=C1c2ccccc2-c2c3c(cc4ccnc1c24)OCO3	0
O=C(NCC[NH+]1CCCC1)c1cc(CN2CCc3ccccc3C2)on1	1
Cn1c(=O)[nH]c2cc3nn[nH]c3cc21	0
O=C1O[C@H](NNc2ccc(C(F)(F)F)cc2Cl)c2ccccc21	0
O=C(Cc1cccs1)Nc1nncs1	0
CC(C)[NH+]1CCC(N2CCN(c3cc(N)[nH+]cn3)C[C@@H]2CCO)CC1	2
Cc1cc[n+](CC(=O)CCc2ccc(C(=O)C[n+]3ccc(C)cc3)cc2)cc1	2
O=C(Nc1ccc(Br)cn1)c1cc(F)c(F)cc1Cl	0
CC[NH+]1CCN(C(=O)CCCCC(=O)N2CC[NH+](CC)CC2)CC1	2
CC[NH+](CC)CC(=O)N1CCc2nc([C@@H]3CCC[NH2+]C3)ncc2C1	2
Cc1noc(-c2ccc(Cl)cc2)c1C(=O)Nc1ccccc1Cl	0
CC(=O)c1ccc(NC(=S)NC(=O)c2cccc(C)c2)cc1	0
Cn1cc(C[N@H+]2CCCN(C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)cn1	2
COc1ccccc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1	0
O=C1Nc2c(C(F)(F)F)cccc2[C@]1(O)c1cc(Cl)ccc1O	0
C[C@@H]1CCC[C@@H](C(=O)OCC[N+](C)(C)C)[N+]1(C)C	2
COc1cc(NC(=O)c2c(F)cccc2F)nc(OC)n1	0
Cc1ccc[n+](CCCCC[n+]2cccc(C)c2)c1	2
Cc1ccc2ncnc(Oc3ncccc3NC(=O)C(C)(C)C)c2c1	0
C[NH+](C)CCn1cnc2sc3c(c2c1=O)CC[C@@H]([NH2+]Cc1ccc(F)cc1F)C3	2
CCOc1cccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1	0
Cc1c2c(cc3c(=O)ccn(CC[NH+](C)C)c13)c(=O)ccn2CC[NH+](C)C	2
COc1cccc([C@@H]2C[NH2+]C[C@H]2c2cc(=O)[nH]c(NCC[NH+](C)C)n2)c1	2
COc1cc(C(=O)O/N=C/c2ccc(F)c(Cl)c2)cc(Cl)n1	0
O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccccc1O	0
COc1cc(/C=N/n2c(SC)nnc(C(C)(C)C)c2=O)ccc1O	0
Nc1nonc1-n1nncc1-c1ccccc1	0
N#C[C@H](Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1	0
O=[N+]([O-])c1ccccc1/C=N/NS(=O)(=O)c1ccccc1	0
O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CN2CC[NH2+]CC2)on1)NC1CC1	2
O=C(Nc1ccccc1)Oc1cc(Cl)c(Cl)cc1Cl	0
NC(=[NH2+])SCCC(=O)NCNC(=O)CCSC(N)=[NH2+]	2
C[N@H+]1CCN(c2nc(-c3ccccn3)nc3c2CC[NH2+]C3)C[C@@H]1CCO	2
C[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@H+](C3CCSCC3)C2)CC1	2
Cc1cc(N2C[C@@H](C[N@H+]3CCCN(C)CC3)[C@@H](CO)C2)nc(N(C)C)[nH+]1	2
O=C(c1cccs1)c1ccccc1O	0
CCn1nccc1C(=O)n1nc(C)c(Cl)c1C	0
COc1ccc([C@@H](O)C[NH+]2CCC([NH3+])CC2)cc1OC	2
O[C@]1(c2cccc(Cl)c2)C2=NCCCN2c2ccccc21	0
CC(C)N(Cc1ccc(N(C)C)cc1)C(=S)Nc1ccc(F)cc1	0
COC[C@@H]1CN(c2ccc(OCc3cccc(C#N)c3)cc2)C(=O)O1	0
C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2nnnn2C2CC2)CC1	2
CCOC(=O)Cn1c2ccccc2n2nc(C)c(=O)nc12	0
CCc1[nH+]ccn1CCC(=O)N[C@@H]1CCC[N@@H+](CCc2ccccc2)C1	2
COc1ccc2[nH]c(=O)c(=O)[nH]c2n1	0
O=C(C[C@@H](Sc1ccccc1)c1ccco1)c1ccc(Cl)cc1	0
C[C@H]1CC(=O)NN=C1c1ccc(NN=C(C#N)C#N)cc1	0
COCCc1noc(CN(C)C(=O)[C@@H]2CC3(CC[NH2+]CC3)C[N@H+]2C)n1	2
c1cc2c(c(NC3=[NH+]CCN3)c1)CCC2	1
Cc1[nH]c(=O)c(C#N)cc1-c1ccc(C#N)cc1	0
C[NH+](C)CCC(CC[NH+](C)C)=NOC(=O)c1ccccc1	2
COc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc12	0
C[C@H]1CC(=O)N2CCSC2=N1	0
COc1ccc(-c2[nH]c3ccccc3c2-c2ccc(OC)cc2)cc1	0
Cn1nnnc1SC(c1ccccc1)c1ccccc1	0
COc1ccc2ccc(=O)oc2c1CC=C(C)C	0
Cc1ccc(CNC(=O)c2ccc(N(C)C)cc2)cc1	0
COc1cc2ccccc2cc1C(=O)NCc1cccnc1	0
CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccccc1	0
CCOc1ccccc1NC(=O)c1ccc(N(C)C)cc1	0
Cc1[nH+]ccn1CCNC(=O)[C@@H]1CCC(=O)N(CC[NH+](C)C)C1	2
[NH3+][C@H](CC(=O)[O-])c1ccc(OCc2ccccc2)cc1	0
NS(=O)(=O)c1cc([C@]2(O)NC(=O)c3ccccc32)ccc1Cl	0
C[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12	0
O=C(NN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1Cl	0
CCC(=O)OC(C[N+]1(C)CCCCC1)C[N+]1(C)CCCCC1	2
[NH3+]CCCC(=O)N1CN2CN(C(=O)CCC[NH3+])CC([N+](=O)[O-])(C2)C1	2
COC(=O)C1=CS[C@H]2CC(=O)N12	0
Nc1ccc(-c2nncc3cc4c(cc23)OCO4)cc1	0
OCCn1nnc(-c2ccc(OCc3ccccc3)cc2)n1	0
O=C1OCCN1CC[NH2+]Cc1ccccc1OC[C@@H](O)C[N@H+]1CCc2ccccc2C1	2
CN(C)C(=O)O[C@H]1CCC[N+](C)(CCC[N+]2(C)CCC[C@H](OC(=O)N(C)C)C2)C1	2
CCOc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(OCC)c1	0
CCc1nc(NN2CCN(C)CC2)c2oc3ccccc3c2n1	0
C[NH2+]Cc1cc(N(C)C)nc([C@@H]2CCCN2C(=O)C[NH+](C)C)n1	2
CCc1ccc(C(=O)C[C@@H]2OC(=O)c3c2ccc(OC)c3OC)cc1	0
Cn1c(SCc2ccc3c(c2)OCO3)nc2ccccc2c1=O	0
COC(=O)c1cc(NS(=O)(=O)c2ccccc2)cc(C(=O)OC)c1	0
CCC[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCN(C(=O)Cn3cc[nH+]c3C(C)C)C1)C2=O	2
COc1ccc2c(C[NH+]3CCCCC3)n[nH+]c(NN)c2c1	2
CC(C)[N@H+]1CC[C@H](CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)C1	2
O=C(Nc1ccc(F)cc1)[C@@H]1CC2c3ccccc3C1c1ccccc12	0
C[NH+](C)Cn1cc(CC(=O)N2CC[NH+](C)CC2)c2ccccc21	2
CC(C)C(=O)Oc1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1	0
CC(=O)Oc1ccc2ccccc2c1/C=N/c1cc([N+](=O)[O-])ccc1C	0
C[NH+](C)Cc1ccc(C[N@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cc1	2
CC(=O)Oc1cccc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)c1	0
Cc1cc2c(o1)C(=O)c1cc(=O)[nH]cc1C2=O	0
COC(=O)C(CC#CC[NH+]1CCCC1)CC#CC[NH+]1CCCC1	2
Cc1c(OC(=O)c2ccco2)ccc2c(-c3ccccc3)cc(=O)oc12	0
N#CCn1cc(N)n(-c2ccc(Cl)cc2)c1=O	0
O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCC[N@@H+](Cc2cccnc2)CC1	2
Nc1nc(N2CCCCC2)c(F)c(N)[n+]1[O-]	0
COc1ccc(C(=O)Nc2nn[nH]n2)c(OC(C)C)c1	0
CCOC(=O)c1[nH]c(C)c(-c2csc(NC(=O)C3CC3)n2)c1C	0
O=C1CN(CC(=O)N(CC2CC[NH+](C3Cc4ccccc4C3)CC2)C[C@@H]2CCCO2)N=[O+]1	2
C[N@@H+](CCO)Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn12	2
C=C1CSCc2c1nc(C)[nH]c2=O	0
O=c1[nH]cnc2c1CSCC2	0
C[NH+]1CCN([C@@H]2[C@H](O)[C@H](CO)O[C@@H]2C[NH2+]Cc2ccc(F)cc2)CC1	2
CC(=O)O[C@@H]1CC[C@H]([N+](C)(C)C)[C@@H](OC(C)=O)[C@@H]1[N+](C)(C)C	2
Cc1sc(NC(=O)c2ccc(Br)o2)c(C(N)=O)c1C	0
O=C(c1ccc(=O)[nH]c1)N(Cc1ccccc1)Cc1ccccc1	0
Cn1c(=O)c2c(nc(Nc3ccccc3)n2CCO)n(C)c1=O	0
Cc1ccccc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2	0
CN(C1CCCCC1)S(=O)(=O)Cc1ccccc1	0
CC(=O)Oc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1	0
C[n+]1ccccc1C(=O)NCCCNC(=O)c1cccc[n+]1C	2
CC[NH+]1CCN(C(=O)Cn2c3c(c4ccccc42)C[N@H+](C(C)C)CC3)CC1	2
Cc1ccccc1C[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCCCNC3=O)CC2)CC1	2
C[N@H+]1CC[C@@H]2CN3CCc4cccc(c43)[C@@H]2C1	1
Cc1cc(N2CCN(c3cc(N4CC[NH+](CCO)CC4)ccc3[N+](=O)[O-])CC2)c2ccccc2[nH+]1	2
CC[NH+](CC)CCN1C=C(O)C(c2nc3ccc(C)cc3[nH]2)C1=[NH2+]	2
COc1ccc(NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1	0
[NH3+]CCNc1cc(-c2ccccc2)[nH+]c2ccccc12	2
C[NH+](C)CCC(=O)C(=Cc1cccs1)C(=O)CC[NH+](C)C	2
O=C(NCCC[NH+]1CCCC1)NCc1ccc(C[NH+]2CCOCC2)cc1	2
c1cc2[nH]c(Cc3nc4ccc(C5=[NH+]CCN5)cc4[nH]3)nc2cc1C1=[NH+]CCN1	2
CCCC(=O)Nc1ccc(Oc2cccc(F)c2)cc1	0
Clc1ccc(-c2cn3ccsc3n2)cc1	0
CS(=O)(=O)Nc1cc2c(cc1Sc1cccs1)C(=O)CC2	0
COc1ccc(-c2nnc(N)s2)cc1	0
COc1ccc(C[N@H+]2C[C@@H](C[NH+]3CCCC3)C[C@@H](C(=O)NC[C@@H]3CCCO3)C2)cc1OC	2
O[C@H](Cn1ccc2ccccc21)C[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2O)CC1	2
O=C(CC[NH+]1CCCCCCC1)N1CC[NH+](C2CCOCC2)CC1	2
COc1ccc(Nc2ncnc3[nH]cnc23)cc1	0
COC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1ccccn1	0
Cc1ccc(/C=C2\N=C(c3c(-c4ccccc4)noc3C)OC2=O)cc1	0
Cc1cc(N2CCN(C(=O)c3cnccn3)CC2)cc([C@@H]2CC[NH2+]C2)[nH+]1	2
COc1ccc2cc([C@H](C)NC(=O)NO)ccc2c1	0
CCOC(=O)c1cnc(S/C=C/C(=O)c2ccc(F)cc2)nc1N	0
CC(=O)Nc1cc(O)ccc1O	0
C[NH+]1CCN(c2nnc(-n3cccc3CN3CCC([NH+]4CCCCC4)CC3)s2)CC1	2
COc1cc(NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])cc2ccccc12	2
CC[NH+]1CCN(c2ccc(C(=O)NCC[C@@H]3CCCC[N@H+]3C)cn2)CC1	2
CC(/C=N/N(C)C1=[NH+]CCCCN1)=N/N(C)C1=[NH+]CCCCN1	2
C[NH+](C)C[C@@]1(O)CCN(c2nc(N3CCC(O)CC3)cc[nH+]2)C1	2
CCOc1ccccc1[C@@H]1NC(=S)N=C(C)C1C(=O)OCC(C)C	0
Cc1ccc(OCc2nnc(NC(=O)c3ccc(F)cc3)s2)cc1	0
CN(C)c1nc2c(c(N(C)CC[NH+](C)C)n1)CC[N@@H+](Cc1ccccc1)C2	2
COCCNc1nc2c(c(N3CCC[NH2+]CC3)n1)CC[NH2+]CC2	2
CCNc1nc(C#N)nc(N2CCCCC2)n1	0
CC(C=NN1C(=S)N=NC1c1ccco1)=Cc1ccco1	0
Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C2CC[NH+](CC(C)C)CC2)C1	2
COc1ccc(/C=C2/CC(C)C/C(=C\c3ccc(OC)cc3)C2=O)cc1	0
CC[NH+]1CCN(c2nnc(-n3cccc3C(=O)NCC[NH+](C)C)s2)CC1	2
C=C1OC(=O)OC12CC(C)(C)[NH2+]C(C)(C)C2	1
CCOC(=O)c1n[nH]cc1C[N@@H+](C)CC1CC[NH+](CCc2ccc(F)cc2)CC1	2
C=CC[NH2+]Cc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(OC)c1	2
CCc1nn(C2CCCC2)c2c1CCn1c(-c3ccsc3)nnc1-2	0
CCOC(=O)Cc1csc2nc3sc4c(c3c(=O)n12)CCCC4	0
Cn1c(=O)c2c(O)c(-c3ccccc3)c(=O)n(C)c2n(C)c1=O	0
COc1ccc2oc(-c3ccccc3)c(C(=O)N3CCCCC3)c2c1	0
COc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1Cl	0
CC(C)[C@@](O)(c1cccc(-c2ccc(F)cc2)c1)c1cnc[nH]1	0
O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(Br)cc1	0
CC(=O)c1ccc[n+]([C@@H](C)CC[C@H](C)[n+]2cccc(C(C)=O)c2)c1	2
Cc1nonc1OCCNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C)C2	2
Cn1c(=O)cc2c3c(cccc31)C(=O)c1ccccc1-2	0
COc1ccc([N+](=O)[O-])cc1NN=C(C#N)C#N	0
O=C1[C@@H](C[NH+]2CCCC2)CCC[C@@H]1C[NH+]1CCCC1	2
O=C(C1=NNC[C@H]1c1ccc2c(c1)OCO2)c1ccc2ccccc2c1	0
C[N+](C)(C)C[C@H]1CO[C@@H](CC[C@H]2OC[C@@H](C[N+](C)(C)C)O2)O1	2
COC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2	0
COC(=O)C1C(C)=NC(=O)N[C@@H]1c1cc(OC)cc2ccccc12	0
CSc1cccc(NC(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3C[NH+]2CCOCC2)c1	1
O=C(/C(=N\N=C\c1ccc(Cl)cc1)c1ccccc1)c1ccccc1	0
C[NH+](C)CCNC(=O)c1cc2n(n1)CCN(C(=O)C[C@@H]1C[NH2+]CCO1)C2	2
CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1cccnc1	0
O=C(c1ccccc1Cl)n1c(=O)sc2ccccc21	0
Nc1ncnc2c1ncn2[C@H]1C=C(CO)[C@H](O)[C@@H]1O	0
Nc1c2c([nH+]c3cc(F)ccc13)CCCC2	1
C[NH2+]Cc1c(N2CC[NH+](C)CC2)nc2sccn12	2
CCn1nc(C(=O)N2CCC[N@@H+](C)CC2)c2c1CC[C@@H]([NH2+]CC(C)C)C2	2
O=C(CCC1CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1)N1CCOCC1	2
CCc1ccc(OC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1	0
O=C1NCC[N@@H+](C2Cc3ccccc3C2)[C@@H]1CC(=O)N1CCC([NH+]2CCSCC2)CC1	2
Cn1c(=O)c2c(nc3oc(-c4ccc(F)cc4)cn32)n(C)c1=O	0
COc1ccc([C@@H]2NC(=[NH2+])NC(=[NH2+])N2c2ccccc2)cc1OC	2
Oc1ccc2c(c1)CC[N+]1=C2CC[C@H]2CCC[C@@H]21	1
CC[NH+](CC)CCNc1[nH+]cc(C)c2c1c1cc(OC)ccc1n2C	2
Cc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)cc1	0
O=[S@](Cc1ccccn1)c1nc2ccccc2[nH]1	0
COC(=O)c1ccc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)cc1	0
CSc1nc2c3ccccc3n(C(C)=O)c2n1Cc1ccccc1	0
CCCC(=O)NOCc1cccc2ccc(OC)cc12	0
CCOC(=O)c1c(C)n(CCO)c2ccc(OC(C)=O)cc12	0
S=C1NCC[C@@H](COc2ccccc2)O1	0
Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(Br)cn1	0
c1ccc2c(c1)nnn2CNc1nonc1-c1ncon1	0
CCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1ccccn1	0
COc1ncnc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-]	0
O=C(CCSc1ccccc1)Nc1ccccc1C(F)(F)F	0
NC(=[NH2+])c1ccc(-c2coc(-c3ccc(C(N)=[NH2+])cc3)c2)cc1	2
COc1ccc(/C=N/NS(C)(=O)=O)cc1OC	0
Nc1ccc2nc(SCC(=O)N3CCc4ccccc43)sc2c1	0
C[NH+]1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	2
CC1(C)C(C(=O)N[C@H](C(N)=O)c2ccccc2)C1(C)C	0
O=C1CS[C@@H](c2ccc(Cl)cc2Cl)N1c1cccc(F)c1	0
C[NH+](C)[C@H]1CCc2[nH]c3ccccc3c2C1	1
Cc1ccc(N2CCn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1	0
Cc1ccc(-n2cnc3cc(C(=O)NC[C@@H]4CCCO4)ccc32)c(C)c1	0
Cc1nn(-c2ccccc2)nc1C(=O)Nc1cc(Cl)cc(Cl)c1	0
O=C(NCc1ccco1)Nc1c(Cl)cc(Cl)cc1Cl	0
C[N+]1(CCC[N+]23CCC(CC2)[C@@H](Cc2ccccc2)C3)CCCC1	2
CN1C[C@H]2C[C@@H]1CN2c1cnccn1	0
C[N+](C)(C)CCOc1cc(OCC[N+](C)(C)C)ncn1	2
CCOC(=O)[C@H](C)Sc1ncnc2sc(-c3ccccc3)cc12	0
COc1ccc(C[NH2+]CC2(C)COC2)c(OC[C@@H](O)C[NH+]2CCCC2)c1	2
CC(=O)NC[C@@H]1CCC2(CC[NH+](Cc3cc4n(n3)CCC[NH2+]C4)CC2)O1	2
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)CC1	2
CC(=O)Nc1ccc(NC(=O)c2nn(C)cc2Br)cc1	0
Cc1nc(-c2ccccc2)c(-c2ccncc2)o1	0
Cn1cc[n+](-c2cccc(-[n+]3ccn(C)c3)c2C#N)c1	2
CCOC(=O)N1CCN(C(=O)CSc2ccccc2)CC1	0
COc1cc(SC)ccc1C(=O)N1CCN(c2ccccc2)CC1	0
N[NH+]=C(N)SCCCCCCSC(N)=[NH+]N	2
Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2nccs2)CC1=O	0
CCOC(=O)c1ccc(-c2ccc(/C=C3/NC(=O)NC3=O)o2)cc1	0
c1cc(C[NH2+]CCCN2CCOCC2)n(-c2nnc(N3CC[NH+](C4CCCCC4)CC3)s2)c1	2
Cn1ccnc1Sc1nnnn1-c1ccccc1	0
CS(=O)(=O)N(Cc1ccccc1)Cc1ccccc1	0
C1C[NH2+]C[C@@H](CCc2nc(N3CCCC3)nc3c2C[NH2+]CC3)C1	2
COc1cc(/C=C2/SC(N3CCCCC3)=NC2=O)ccc1O	0
CN1OCC(=O)N(C(c2ccccc2)c2ccccc2)C1=S	0
CN(CC[NH+](C)C)[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1C[NH+](C)C	2
C=CCn1c(SC/C=C(/C)Cl)nc2c1c(=O)[nH]c(=O)n2C	0
COc1ccc(-n2c(C)nc3ccc(Br)cc3c2=O)cc1	0
CS(=O)(=O)c1cnc(N2CCC([NH3+])CC2)nc1[C@@H]1CCC[NH2+]C1	2
NC(=[NH2+])Sc1nc2ccccc2nc1SC(N)=[NH2+]	2
Cc1[nH]c2ccccc2c1CCNC(=O)Cn1cnc([N+](=O)[O-])n1	0
OCCN1CC[NH+](CCO)CCN(CCO)CC[NH+](CCO)CC1	2
CCN(CC)S(=O)(=O)c1ccc(C)cc1	0
Cc1nnc(=O)[nH]c1Nc1c(C)n(C)n(-c2ccccc2)c1=O	0
Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1	0
CC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2ccccc2)cc1	0
CCOC(=O)c1c(C)csc1NC(=O)c1ccc(C(C)(C)C)cc1	0
NC(=O)CNC(=O)OCc1ccccc1	0
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nn1cnnc1	0
[NH2+]=C1Nc2ccccc2[C@H]2CCCCC[C@@H]12	1
O=C1NCCN1N=Cc1ccc([N+](=O)[O-])o1	0
Cc1c(S(=O)(=O)c2ccc(Cl)cc2)cnc2cc(C3CC3)nn12	0
CN(C)C(=O)Cn1c(-c2ccc(C(F)(F)F)cc2)nc2cccnc21	0
C[NH2+]CCC[NH2+]Cc1ccc(-c2ccc(C(=O)OC)cc2)o1	2
COc1ccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)C4CC[NH+](C)CC4)n3CC2)cc1C	2
O=c1c2ccccc2oc2nc3n(c(=O)c12)CCCS3	0
COC(=O)C1=C(C)NC(=O)/C1=C\c1cccc(OCc2ccccc2)c1	0
c1ccc2[nH]c(SCc3ccc4nonc4c3)nc2c1	0
O=C1CSC(NC(=O)CSc2nc3ccccc3o2)=N1	0
O=C(CC[C@@H]1CCC[N@@H+](CCCn2cccn2)C1)N1CC[NH+](Cc2ccccc2)CC1	2
Cc1nnc(-c2ccccc2)c(=O)n1/N=C/c1cccs1	0
CC1=CC=CN2C1=NC(C(F)(F)F)(C(F)(F)F)N=C2c1ccco1	0
N#CC(C#N)=Cc1cccn1S(=O)(=O)c1ccccc1[N+](=O)[O-]	0
COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1	0
C[C@@H]1CN(c2oc(-c3ccc(F)cc3)nc2C#N)C[C@@H](C)O1	0
Cc1ccc(Cn2cnc3sc(C)c(C)c3c2=O)cc1	0
CCOc1ccc(/C=N/n2c(SC)nnc(C(C)(C)C)c2=O)cc1	0
COc1ccc(-c2noc([C@H]3CCCN3C(=O)c3ccccc3)n2)cc1	0
O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(F)cc1F	0
O=S(=O)(CS(=O)(=O)[n+]1ccccc1)[n+]1ccccc1	2
COc1cc2[nH+]c3cc([N+](=O)[O-])ccc3c(NCCC[NH2+]CCO)c2cc1OC	2
COc1ccccc1/C=N/NC(=O)COc1ccccc1C#N	0
Cc1cc(C)cc(OCC(=O)NCCc2nc3ccccc3[nH]2)c1	0
COc1ccc(S(=O)(=O)n2ccnc2C)cc1OC	0
COc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1OC	0
O=C(C[C@@H](c1ccccc1)c1ccccc1O)N1CCOCC1	0
NC(=[NH2+])c1ccc(NC(=O)[C@@H]2CC(c3cccc(C(N)=[NH2+])c3)=NO2)cc1	2
CCn1c(C2CC[NH2+]CC2)nn(CC[NH+]2CCN(c3ccccc3)CC2)c1=O	2
CCOC(=O)CSc1nnnn1-c1ccccc1F	0
CCOC(=O)c1cncn1[C@H](C)c1ccccc1	0
CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc12	0
Cn1c(=O)c2c(-c3ccccc3)n(-c3ccc(O)cc3)cc2n(C)c1=O	0
CCc1ccc(C(=O)Nc2cccnc2Oc2ccc(OC)cc2)cc1	0
COc1ccccc1N1CCN(/N=C2/C(=O)Nc3ccccc32)CC1	0
Cc1cnc2ccc(Br)c[n+]2c1C	1
O=C1CN(CC(=O)N2CCC[C@@H](CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)N=[O+]1	2
CC(C)=CCn1cnc(N)c2ncnc1-2	0
C[NH+]1CCC(C[NH+]2CCN(C(=O)c3ccc(-n4cnnc4)nc3)CC2)CC1	2
CCOC(=O)c1nnn2c1nc(SCC(N)=O)c1ccccc12	0
O=C(/C=C/c1ccccc1)Nc1cc(Cl)c(Cl)cc1Cl	0
O=C(/C=C/c1ccc(Cl)cc1)N1CCN(c2ccc(F)cc2)CC1	0
C[N+]1(CC[N+]2(C)C[C@@H]3CCCC[C@H]3C2)CCCCC1	2
Cc1ccc(-c2nnc3s/c(=C\c4ccc(C)o4)c(=O)n23)cc1	0
CCN(CC)S(=O)(=O)c1cccc(C(=O)NCc2ccccc2)c1	0
Cc1cccc(COn2cccc(C(=O)Nc3ccccc3C)c2=O)c1	0
O=[N+]([O-])c1ccc(-c2nnc(-c3ccccc3)n2-c2ccccc2)cc1	0
COC(=O)[C@@H](C)Sc1nnc(-c2ccncc2)o1	0
O=C(c1ccc(SCc2ccoc2)c([N+](=O)[O-])c1)N1CCOCC1	0
O=C(OC1C[C@@H]2CC3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12	0
O=C1CN2[C@H]3CC(O)C[C@H]2CC1C3	0
COC(=O)c1ccc([N+](=O)[O-])c(OC(=O)c2cccs2)c1	0
COC(=O)c1cnn2c(C)c(Oc3ccccc3)c(=O)[nH]c12	0
CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC	0
CCOC(=O)c1c(C)nn(-c2cccc([N+](=O)[O-])c2)c1C	0
COc1ccccc1C[N@H+]1CC[C@@H](NCCC[NH+](C)C)[C@H](O)C1	2
Cc1ccc(C)c(N(CC(=O)NCc2ccncc2)S(C)(=O)=O)c1	0
O=C(Nc1ccc(Cl)cc1Cl)Nc1ccccc1C(F)(F)F	0
CC(C)c1[nH+]ccn1CCC(=O)N1CCC(c2ncc3c(n2)CC[NH2+]C3)CC1	2
Cc1nc2ccc(-c3ccc4nc(C)n(N)c(=O)c4c3)cc2c(=O)n1N	0
O=C(CN1C(=O)COc2ccc(Cl)cc21)NCc1ccc(F)cc1	0
C[N+](C)(CCCCCC[N+](C)(C)CC(=O)NC(N)=O)CC(=O)NC(N)=O	2
Clc1cccc2c1C[C@@]1(CC2)C[NH+]=CN1	1
N#Cc1ccc(-c2cccnc2)nc1SCC(=O)c1ccccc1	0
C[C@@H]1CC(c2ccccc2)=NN(C(=O)c2ccc(Cl)c(Cl)c2)C1	0
O=C(Nc1ccc(F)cc1)c1cccc2c(Br)cccc12	0
CCN(CC)c1nc(NCC[NH3+])c(C#N)c2c1C[N@@H+](CC)CC2	2
CC(=O)c1cc2c(cc1NC(=O)c1c(Cl)cnn1C)OCO2	0
CCOc1cc(C[NH2+]CCC[NH+](C)C)cc(Br)c1OCC(N)=O	2
COc1ccc([C@H]2OC[C@]3(COC(C)=O)[C@@H](C)C=C(C)[C@H]2[C@H]3C)cc1	0
O=C(OOC(=O)c1ccccc1)c1ccccc1	0
Nc1[nH+]cnc2c1c(-c1cccc(O)c1)cn2C1CC[NH+](CCO)CC1	2
CCCN1C(=O)c2ccccc2Oc2ccccc21	0
Nc1nc(N)nc(-c2cnccn2)n1	0
CC1(C)O[C@H]2O[C@@H](CNC(=[NH2+])NC(N)=[NH2+])[C@H]3OC(C)(C)O[C@H]3[C@H]2O1	2
CCN(CC)c1ccc(NC(=O)c2ccccc2Br)cc1	0
CC(C)(C)n1c[n+](-c2ccccc2)nn1	1
Cc1c(C)n(-c2cc[nH+]cc2)c2ncnc(NCC[NH+](C)C)c12	2
C[N+]1(C)CCc2cc(Br)ccc21	1
O=S(=O)([N-]c1cccnc1)c1cc(Cl)ccc1Cl	-1
COCC[NH+]1CCC(C[N@H+](Cc2cccnc2)C[C@@H]2CCCO2)CC1	2
CC[NH+]1CCN(C2CC[NH+](Cc3ccc(OC)cc3)CC2)CC1	2
COc1ccc(CC2CCC(=NOC(=O)C3CCCCC3)CC2)cc1	0
CNC(=[NH2+])SCCCCCCSC(=[NH2+])NC	2
CC(=O)Nc1cccc(-c2cn[nH]n2)c1	0
Nc1nnnn1/N=C/c1cccc(I)c1	0
CC(C)c1[nH]c2ccccc2c1C(=O)c1cccnc1	0
O=[N+]([O-])c1ccc2oc([C@@H](O)c3ccc(-c4ccccc4)cc3)cc2c1	0
Nc1c2c([nH+]c3cccc(F)c13)CCCC2	1
CC[NH+]1CCN(Cc2ccc(OC)cc2OC[C@H](O)C[NH+]2CCCC2)CC1	2
O=C1CCC(=O)N1CC(=O)N1c2ccccc2Sc2ccccc21	0
CC(C)[NH2+]CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)C[NH2+]C(C)C)cc2)cc1	2
O=c1c2ccccc2nnn1N1CCOCC1	0
N#CC(C#N)[C@@H](CC(=O)c1ccc(Cl)cc1)c1ccccc1Cl	0
O=C(NCc1cccc(F)c1)c1c[nH]c2ccccc2c1=O	0
CCOc1ccc2ncc(C(=O)NCc3cccnc3)c(O)c2c1	0
Cc1ccc(C2=NN[C@@H](c3cc4c(cc3[N+](=O)[O-])OCO4)S2)cc1	0
COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1OC	0
C[NH+](C)CCCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	2
Clc1c(-c2nnc(-c3cccs3)o2)sc2ccccc12	0
N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)cc1	0
Cc1ccc(C2(c3ccc(C)cc3)C[C@@H]2C(=O)Nc2cccnc2)cc1	0
CN(C)C1=NC(=O)[C@H](c2ccccc2)O1	0
COc1cc([C@@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])cc(OC)c1OC	0
COC(=O)c1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc([N+](=O)[O-])c1	0
NS(=O)(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1	0
c1csc(-c2cc3nccn3[nH]2)c1	0
COc1cc(Cl)cc(/C=C2/SC(c3ccccc3)=NC2=O)c1O	0
COC(=O)c1ccc2c(c1)CN(c1ccc(Br)cc1)C2	0
NC(=[NH2+])Nc1ccc(OC(=O)c2ccc(NC(N)=[NH2+])cc2)cc1	2
Cn1c(CCCCc2n(C)c3ccccc3[n+]2C)[n+](C)c2ccccc21	2
C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cn(CCN2CC[NH2+]CC2)nn1	2
COc1ccc(Cl)cc1-c1nc(-c2nonc2N)no1	0
Cc1cc(C)n(C[C@@H](C)[NH+]2CCC(n3cc(C(C)(C)[NH3+])nn3)CC2)n1	2
Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1C	0
C[N@H+]1CCN2c3ccccc3Cc3ccccc3[C@@H]2C1	1
COc1ccc([C@@H]2NC(=O)[C@H](C)S2)cc1OC	0
c1cc(-c2ccccc2C[NH+]2CCOCC2)nc(N2CC[NH2+]CC2)c1	2
COc1ccc(/C=C2/C(=O)ON=C2c2ccccc2)cc1	0
COC(=O)CNS(=O)(=O)c1c(C)cc(C)cc1C	0
CCCc1cc(=O)oc2cc(OCc3ccccc3Cl)ccc12	0
CC(C)Nc1nc(Cl)nc(N2CCCCC2)n1	0
Nc1nonc1-n1nnc(C(=O)[O-])c1C[NH+]1CCCCCC1	0
Cc1nc2ccccc2c(=O)n1C[C@H](O)CO	0
NC(=O)C1([NH+]2CCCCC2)CCN(Cc2cc3n(n2)CCC[NH2+]C3)CC1	2
CC(=O)Nc1ccc(S(=O)(=O)NCCC(C)C)cc1	0
Cc1cc(C)c(OC[C@H](O)CO)c(C)c1	0
COc1cc2c(cc1OC)C(c1cccc(Cl)c1)=NN=C(C)C2	0
Cn1c(=O)c2c(nc(NCc3ccccn3)n2C)n(C)c1=O	0
CS(=O)(=O)c1c(F)cc(-c2cc(C(N)=O)c(Cl)nn2)cc1F	0
O=C(Nc1cccc(CC(=S)N2CCOCC2)c1)c1ccccc1	0
Cn1cc(NC(=O)[C@@H]2CCC(N)=[NH+]2)cc1C(=O)NCCC(N)=[NH2+]	2
CC(C)NC(=O)CC(c1ccccc1)c1ccccc1	0
COc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1	0
COC(=O)c1cn(C(=O)c2nn(C)cc2[N+](=O)[O-])c2ccccc12	0
Cc1ccc(NCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1C	0
Cn1c2ccc(C3=[NH+]CCN3)cc2c2cc(C3=[NH+]CCN3)ccc21	2
CCOc1nc(N2CCCCC2)nc(N2CCOCC2)n1	0
Cc1c(NC(=O)c2ccc(Br)o2)cccc1[N+](=O)[O-]	0
CN1CCN(/C=N/c2nc3c(c(-c4ccccc4)c2C#N)CCCC3)CC1	0
C[N+]1(C)CCN(/[N+](O)=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	2
Cc1cc2c(c(C)c1O)CCC(C)(C)[N+](=O)C2	1
COCC[NH+]1CCC(C[N@@H+](C[C@@H]2CCCO2)C2CCN(C(C)=O)CC2)CC1	2
CN1CCC([NH2+]C[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N(C)CC[NH+](C)C)CC1	2
Cc1ncc(C[NH+]2CCC(Cn3cc(C[NH3+])nn3)CC2)s1	2
CCOc1cc(C)nn1-c1ccc([N+](=O)[O-])cc1	0
Cc1ccc(C(=O)Nc2cc3c(ccc4ccccc43)oc2=O)cc1C	0
CNc1nc(C2CC[NH2+]CC2)nc2c1CCN(C(=O)C[NH+](C)C)C2	2
COc1ccc(OC)c(NC(=O)c2ccc(Oc3ccccc3)cc2)c1	0
C=C(C)c1cccc(C(C)(C)NC(=O)NCc2ccc(Cl)cc2)c1	0
CC(C)c1ncc(S(=O)(=O)c2ccc(C(F)(F)F)cn2)c(N)n1	0
O=C1C[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C(=O)N1c1ccc(F)cc1	2
CC(=O)Nc1ccc(NC(=O)c2ccc(C)c(Br)c2)cc1	0
C[NH+](C)CCn1cc(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)cn1	2
C=CCNC(=O)NC(=O)CN(C)CC(=O)N1CCNCC1	0
CN(C)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1	0
CSc1cc(C(C)(C)C)nn1S(=O)(=O)c1ccc(F)cc1F	0
COCCOc1ccc(C(=O)N[C@@H]2CN(C3CC[NH+](C)CC3)CCC[C@H]2O)cc1	1
CSc1sc(SC)c(Br)c1Br	0
Cc1cc(C)c2c(-n3cccc3)c(C(=O)Oc3ccccc3)sc2n1	0
COc1cccc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c1O	2
Cn1c(=O)n(C)c2cc(C[NH2+]Cc3ccccc3OC[C@@H](O)C[NH+]3CCCCC3)ccc21	2
COc1cccc2c1CCC[C@H]2c1c[nH]cn1	0
c1ccc(-c2cc(C[NH2+]CCC[NH+]3CCCCC3)c3nnnn3c2)cc1	2
C[NH+]1CCN(c2ncc(C[NH2+]CCc3nnc4n3CCCCC4)cn2)CC1	2
CCOc1ccc(S(=O)(=O)N2CCC(C)CC2)c2ccccc12	0