Cc1[nH]c2ccc(N)cc2[nH+]1	1
CC1=CC(=C2C(=O)[N-]C(=S)NC2=O)C=C(C)O1	-1
c1ccc2c(c1)CC([NH+]1CCN(c3cccc4c3OCCO4)CC1)C2	1
Cn1cnnc1SCC(=O)Nc1cc(F)ccc1F	0
O=C(Cc1ccccc1)c1ccccc1C(=O)NCc1cccs1	0
N#CC[N+]12CCN(CC1)CC2	1
C[NH2+]CC1(C)OCCO1	1
CC(C)O[C@H]1C[C@@H]2CCCC[N+]2(Cc2ccccc2)O1	1
Cc1[nH+]ccn1C[C@@H]1CCc2c(c3ccccc3n2C)C1=O	1
C[n+]1ccccc1C#N	1
CCOc1ccc([C@]2(O)CN3CCCCCC3=[N+]2c2ccc3c(c2)OCCO3)cc1	1
Nc1ccc([NH+]2CCCCC2)cc1	1
Nc1ccc(F)cc1Cl	0
CC[NH+](CC)Cc1cc(N)ccc1O	1
Cc1ccccc1NC(=O)CC#N	0
COc1ccc(C(C)=O)c(O)c1	0
CNc1nc(N(C)C)[nH+]c(N(C)C)n1	1
N#CC[n+]1cccc(C(N)=O)c1	1
CN(C)c1cccc(C[NH3+])c1	1
O=C1CS[C@@H](c2cccc([N+](=O)[O-])c2)N1CC[NH+]1CCCCC1	1
[NH3+]Cc1ccc(O)cc1	1
O=C(CCS(=O)(=O)c1ccccc1)NCc1ccc2c(c1)OCO2	0
[NH3+]Cc1cccc(O)c1	1
ClC1(Cl)C[C@@H]1C[NH+]1CCCC1	1
O=C(CCS(=O)(=O)Cc1ccccc1Cl)NC[C@@H]1CCCO1	0
COC(=O)c1cc2c(OC)cccc2[nH]1	0
CCOc1cc(C=O)ccc1OC(=O)c1ccco1	0
CC(=O)C(=Cc1ccc([N+](=O)[O-])o1)C(C)=O	0
CCOC(=O)c1cc(-c2coc(/C=N\n3cnnc3)c2)ccc1Cl	0
CC1=NO[C@]2(O)C[C@@H]3[C@H]([C@H]12)C3(C)C	0
Fc1nc(F)c(F)c(SC(=S)N2CCOCC2)c1F	0
Nc1ccc(S(N)(=O)=O)cc1	0
CC(=O)N1CCc2cc(N)ccc21	0
C[N@H+]1[C@H](C[C@@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1	1
C[C@@H](Cc1ccc(F)cc1)[NH2+]C1CCC(O)CC1	1
C[NH+]1CCN([C@@]23CCCCC2=Cc2cc([N+](=O)[O-])ccc2O3)CC1	1
COc1ccc(Br)cc1S(=O)(=O)N1CCC(C)CC1	0
CC(C)(O)C#Cc1ccccn1	0
C[NH+]1CCN(c2cc(N3CC[NH2+]CC3)ccc2[N+](=O)[O-])CC1	2
O=[N+](Cc1ccco1)c1ccccc1	1
Cc1cc(C)c2c3c(cn2n1)c(=O)n(C)c(=O)n3C	0
CC(C)(C)N(O)C=C1C=C[N+](=O)C=C1	1
c1ccc2c3c([nH]c2c1)C1(CC[NH2+]CC1)NCC3	1
CC(=O)c1c(NC2CCCCC2)oc(C)cc1=O	0
CN1c2cc(F)ccc2C(c2ccccc2)=[NH+]C[C@@H]1CNC(=O)c1ccoc1	1
NC(=S)c1nc(-c2ccccc2)oc1N	0
CNc1cc(C)[nH+]c(NCc2ccccc2)n1	1
NC(=O)C1CC[NH+](CC(O)(c2ccccc2)c2ccccc2)CC1	1
C[NH+](C)Cc1coc2ccccc2c1=O	1
COC(=O)[C@@H](Cc1ccc(O)c(O)c1)/[NH+]=C/c1ccc(N(C)C)cc1	1
Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1	0
Cc1ccc(N2CC[NH+](CCCN3C(=O)[C@H]4CCCN4C3=O)CC2)cc1	1
CCN(CC)c1ccc(C=C2C(=O)NC(=S)NC2=O)c(OC)c1	0
C[N+]1(C[C@@H](O)Cn2c3ccccc3c3ccccc32)CCOCC1	1
Nc1ccccc1S[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1=O	0
NC(=O)N(O)C[C@H]1COc2ccc(Oc3ccc(F)cc3)cc2O1	0
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cn1	0
Nc1ncnc2[nH]c(SCC[NH+]3CCCCC3)nc12	1
COc1ccccc1C1(O)CC[NH+](Cc2ccccc2)CC1	1
CC(=O)/C=C/c1cccc[n+]1C	1
CC(C)(C)NC(=O)NC(C)(C)C	0
C[NH+](C)CCc1c[nH]c2ncccc12	1
CCc1cc2cc(OC)c(OC)cc2c(Cc2ccccc2)n1	0
CCOC(=O)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1	1
COC(=O)c1ccccc1NC(=O)CCCn1nc([N+](=O)[O-])cc1C	0
O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1)Nc1ccccc1	0
CC[N+]1(CC)C[C@@H](C)O[C@@](O)(c2ccc(Cl)cc2)C1	1
CC1(C)Cc2[nH]c(=O)c(C(=O)[O-])cc2CO1	-1
C[N+]1(C)CCO[C@@](O)(c2ccc(F)cc2)C1	1
[O-][N+]12CC[N+](F)(CC1)CC2	1
C=CCN1C(=O)NC(=O)C(=C(CC)NCCN2CC[NH2+]CC2)C1=O	1
NC(=O)CNC(=O)[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21	0
CC1(C)CC(Nc2c(Cl)cc(Cl)c[n+]2[O-])CC(C)(C)[NH2+]1	1
Brc1ccc2n[nH]cc2c1	0
C[C@H](CO)NC(=O)[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@@H]2[N@H+](C)C1	1
CC[NH+]1CCN(C(=O)c2cc(Cl)ccc2OC)CC1	1
C[NH+]1CCN(CCC[NH2+]Cc2ccc(F)cc2F)CC1	2
COC(=O)c1c(-c2ccccc2)csc1N	0
C[NH2+]Cc1ccc(N)cc1	1
O=C(Nc1cccc2nsnc12)c1cccs1	0
CN(C)c1nc2ccccc2n1N	0
S=C(c1ccc(-c2ccccc2)o1)N1CCN(c2ccccc2)CC1	0
CCS[C@H]1CCC(=O)N1S(=O)(=O)c1ccccc1	0
Nc1nc(N)c(N)c(Nc2ccc(Br)cc2)n1	0
CCN(CC)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1	0
CC1(C)[C@H]2CC=C(C[NH+](CCO)CCO)[C@@H]1C2	1
Fc1cccc(F)c1C[n+]1ccccc1	1
CC(=O)Nc1nnc(-c2ccc(Cl)cc2Cl)s1	0
CCc1ccc(OCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1	1
NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)Nc1ccc2ccccc2c1	2
NC(=O)C1CC[NH+](CC(=O)N2N=CC[C@@H]2c2ccccc2)CC1	1
CCC[N@@H+](CCO)C[C@@H]1CC=CCC1	1
C=C[C@@H](C)ON1C(=O)c2ccccc2C1=O	0
COC[C@@H](C)NC(=O)c1ccc(C)c(C)c1	0
Cc1[nH+]ccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1	1
[NH3+]Cc1ccccc1O	1
Cc1ccc2nc(O)cc(=O)n2c1	0
COc1ccc(CCNC(N)=[NH2+])cc1OC	1
COc1ccc(OC[C@@H](O)Cn2c(C)nc3ccccc32)cc1	0
Cc1ccc(NC2=[NH+]C3(CCCCC3)NC(=N)N2)cc1C	1
O=C(Cc1cccs1)NC1CCCC1	0
Nc1nonc1NC(=O)CSc1cccc2ccccc12	0
CCOC(=O)C[C@@H]([NH3+])c1ccccc1Cl	1
CCOC(=O)C[C@@H]([NH3+])c1ccc(C)cc1	1
CNC(=S)NCC[NH+]1CCCCC1	1
C[N@H+](Cc1ccccc1)C[C@@H](O)CO	1
Cc1ccc(NC(=O)c2cnccn2)c(Br)c1	0
[NH3+][C@@H](Cn1cccn1)c1ccccc1	1
O=C(CSc1ccc(Cl)cc1)Nc1cccnc1	0
Cc1cc(C)[n+]2c(n1)SCC2	1
CC1(C)Cc2sc(=O)nc(N)c2C1	0
[NH3+]C1[C@H]2CC3C[C@@H]1CC(S)(C3)C2	1
Cc1ccc(C2[N+](=O)[C@@H](C)N(O)C2(C)C)o1	1
COc1ccc(NC(=S)NC[C@@H]2CCCO2)cc1	0
Cc1cccc(C(=O)N2CCc3ccccc3C2)c1	0
N#Cc1c(N)n(CC[NH3+])c2nc3ccccc3nc12	1
CC[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl	0
CC1(C)[C@@H](C(=O)[O-])CC[C@@]1(C)C(N)=O	-1
C[NH+](C)CC[C@@]1(C)OCCC2=C1Cc1ccccc12	1
CC(C)(C)[NH2+]C[C@@H](O)c1ccc(O)c(CO)n1	1
C#C[C@@]1(O)C[C@@H](C)[NH2+][C@H]2CCCC[C@H]21	1
CC1=C(C#N)C(=O)NC(C)(C)C1	0
Nc1ccc2oc(=O)ccc2c1I	0
C[C@@H]1S[C@@H](c2ccccc2)NC1=O	0
Oc1cccn2nccc12	0
COC(=O)c1cnn2cccc(OCc3ccccc3)c12	0
C[N+]1(C/C=C2/COCO2)CCCCC1	1
O=C(Cc1ccccc1)NC1=NCCS1	0
Cc1c(C)c2ccc(OCc3nnc(C(C)C)s3)cc2oc1=O	0
C[C@@H]([C@H](O)c1ccccc1)[NH+](C)C	1
CCOc1nc(-[n+]2ccccc2)c(C=O)s1	1
Fc1ccc(-c2nc(-c3cccnc3)cs2)cc1	0
N#Cc1cnoc1N1CCOCC1	0
COc1cccc(/C=N/N=C2\C(=O)Nc3ccccc32)c1OC	0
COc1ccccc1C[N@H+]1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	1
c1ccc(C[N+]23CCN(CC2)CC3)cc1	1
CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1	1
O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2cccc(O)c2)C1	1
Cc1c(-c2ccccc2)[nH]c(=O)n1C1CC[NH+](CCc2ccccc2)CC1	1
C[N@H+](c1ccncc1)n1ccc2ccccc21	1
Cc1nc[nH+]c(NN)c1Cl	1
COC(=O)c1ccc(C[N+]2(C)CCc3[nH]c4ccccc4c3C2)o1	1
NS(=O)(=O)N1CCC([NH3+])CC1	1
CCC[N@H+](c1ccncc1F)n1cc(C)c2cc(OC(=O)NC)ccc21	1
COc1cccc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1	0
CC[C@@H]1NC(=O)NC(C)=C1C(C)=O	0
CC(C)[N@H+]1C[C@@H](C)[C@H](OC(=O)c2ccccc2)C[C@H]1C	1
C[n+]1cccc(C#N)c1	1
COC(=O)[C@@H]1CNC(=O)[C@@H]1[NH3+]	1
Cc1ccc(C)c(C2=NNC(=O)CC2)c1	0
CCc1ccccc1NC(=O)[C@@H]1C=C(O)NC(=[NH2+])S1	1
CC(C)(O)c1ccccn1	0
O=C(NCc1ccccn1)c1ccc(Cl)c([N+](=O)[O-])c1	0
CC(=O)Nc1nc(SCc2ccc([N+](=O)[O-])cc2)n(C(C)=O)n1	0
COC(=O)[C@H]1C[C@H](O)CN1Cc1ccsc1	0
NC(=O)C1CC[NH+](CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1	1
CCc1ccccc1N1CC(=O)C(c2nc3ccccc3c(=O)[nH]2)=C1N	0
C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(O)c(O)c2)N3)C1	1
COc1ccc(C[NH3+])cc1Cl	1
S=C1N=NC(Nc2ccc(I)cc2)S1	0
C[NH+]1CCN(c2ncc(-c3cc(Cl)cc(Cl)c3Cl)c(N)n2)CC1	1
O=C1CCC(=O)N(c2ccccc2)N1	0
Cc1cc(C)c(=O)[nH]n1	0
Cc1cc(=O)n(C(C)(C)C)[nH]1	0
Cc1ccccc1CSc1nc(N)cc(=O)[n-]1	-1
COc1ccc(C[NH+]2CCSCC2)c(OC)c1C	1
C#CC1(OC(C)=O)C2CC3CC(C2)CC1C3	0
Cc1cccc(C(=S)N2CCOCC2)n1	0
O=C1C=C(c2ccccc2)Nc2nonc2N1	0
COc1nc(Nc2ccccc2)nc(OCC(F)(F)F)n1	0
CC1=C(Cl)C(=O)O[C@@]1(C)C[NH+](C)C	1
Cc1nc2ccccc2nc1C	0
C[N@H+]1[C@H](c2ccccc2)CC(=O)[C@]2(O)CCCC[C@H]12	1
C[n+]1ccccc1CS(=O)(=O)c1ccccc1	1
COc1ccc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)cc1C	0
CCC[NH+]1CCN(C(=O)OCC)CC1	1
C[n+]1ccc(CS(C)(=O)=O)cc1	1
C[C@H]1C[N@@H+](C)[C@H](C)C[C@@]1(O)CC(O)(c1ccccc1)c1ccccc1	1
O=C(Nc1ccccc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1	0
NC(=O)c1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1	0
C[C@@H]1C[C@@H](C)CN(C(=O)CCc2ccccc2)C1	0
C[NH+](C)CCNc1oc(-c2ccccc2F)nc1C#N	1
O[C@@H]1CC[N@@H+](Cc2ccccc2)C1	1
CC(C)(C)C(=O)CC#N	0
C[N@@H+](CCO)Cc1ccccc1	1
C[C@@H](NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)C(=O)N(C)C	2
COc1ccc2c(c1)CN(C(=O)CC[NH+]1CCC(Cc3ccccc3)CC1)CCS2	1
CCn1c(=O)c(N(C)C)nc2ccccc21	0
O=CN[C@@H]1CCCCNC1=O	0
N#Cc1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1	0
C/C=C1\[C@H]2CCC[C@]1([NH3+])c1ccc(=O)[nH]c1C2	1
CC(=O)S[C@H](C)C(=O)[O-]	-1
Nc1ccccc1Nc1cc[nH+]cc1N	1
C[C@H](C[NH2+]C1CCCCC1)c1ccncc1	1
O=C1CCCCN1C[NH+]1CCCCC1	1
O=S(=O)(N/N=C/c1cccs1)c1ccc(-c2ccccn2)s1	0
COc1ccccc1CC[NH2+][C@H]1CC(=O)N(c2ccc(C)cc2)C1=O	1
CC(C)(/C=N/O)[N+](=O)Cc1ccc(O)cc1	1
C[NH2+]Cc1ccc(OC)cc1	1
O=C(N1CCNCC1)N1CC[NH2+]CC1	1
CC1(C)[C@@H]2C[C@H](O)[C@](C)(O)[C@H]1C2	0
O=C(c1c(F)cccc1F)n1cc(Br)cn1	0
Cc1ccccc1C(=O)n1cc(Cl)cn1	0
Cc1nn(C(=O)c2ccn(C)n2)c(C)c1Cl	0
N#Cc1c(F)ccc(F)c1F	0
CCO[C@@H](C)C(=O)C(O)O	0
[NH3+]Cc1ccc(O)c(O)c1	1
CC[C@@]1(C)Cc2ccccc2C2=[N+]1CCS2	1
COC(=O)c1cc[n+](C)c(SC)c1	1
Cc1cc(Br)ccc1OCc1nc(-c2ccncc2)no1	0
CC(C)N=Nc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1	0
C[C@@H](O)c1ncc(Cl)n1C	0
COc1ccc(N2CCN(C(=O)NC(=O)c3ccccc3)CC2)cc1	0
Cc1cc(C)c2[nH+]c3c(c(N)c2c1)CCN3C	1
O=C(c1ccc2c(c1)OCO2)N1CCc2ccccc2C1	0
CC(=O)Oc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)c1	0
CNC(=O)[C@@]1(C)C[NH2+]CCO1	1
O=C(NC1CCCC1)c1ccc2c(c1)OCO2	0
Cc1ccccc1NC(=O)Nc1ccccc1Cl	0
O=C(Nc1ccccc1Cl)NC1CCCCC1	0
CC(=O)N1[C@@H](C(=O)[O-])CS[C@@H]1c1c(F)cc(F)cc1F	-1
CCOC(=O)c1c(C)[nH]c2ccc(O)cc12	0
Cn1cc(Cl)c(/C=C(\C#N)C(N)=S)n1	0
CCOc1ccc(N2C(=O)C[C@H]([NH2+]CCc3ccccn3)C2=O)cc1	1
Cc1cccc(N2C(=O)C[C@@H]([N@H+]3CCc4ccccc4C3)C2=O)c1	1
CC(C)(C)NC(=S)N1CCSCC1	0
Cc1c(NS(=O)(=O)c2ccccc2)cc(C(C)C)c(O)c1Cl	0
CC(C)(C)NC(=O)Nc1nncs1	0
CN1CCN(C(=O)c2ccccc2NC(=O)c2ccco2)CC1	0
C/C(=N\O)c1ccc2ccccc2c1O	0
O/N=C/c1ccc2ccccc2c1O	0
CN(CCNC(N)=[NH2+])c1ccccc1	1
Cc1cccc(NC(=O)CSc2nc(N)cc(N)[nH+]2)c1	1
CC(C)S(=O)(=O)c1cscc1NC(=O)c1ccc(Cl)cc1	0
[NH3+][C@H](Cc1ccccc1)C(=O)[O-]	0
O=C1C(c2ccccc2)=C(O)c2ccccc21	0
COc1cc(=O)n(-c2ccccc2)n1-c1ccccc1	0
CC(=O)O[C@@]1(c2ccccc2)C[C@H](C(C)(C)C)C[N@H+](C(C)(C)C)C1	1
O=c1oc2ccccc2c(N2CCCC2)c1C[NH+]1CCCC1	1
CC(=O)ON1C(=O)c2cccc3c(Br)ccc(c23)C1=O	0
CCC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(F)c1	0
CC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1C(=O)c1cccs1	0
COc1cc(Br)c(C[NH2+]C2CCCC2)cc1OC	1
O=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)c1cccs1	0
NS(=O)(=O)c1ccc(NC(=S)N2CCc3ccccc3C2)cc1	0
CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(C#N)cc2F)cc1	1
[NH3+][C@@H](CO)Cc1ccc(O)cc1	1
CNc1[nH+]cnc(N)c1N	1
c1cc2c3c(c1)ccc[n+]3CO2	1
Cc1oc2c(C)c3oc(=O)cc(C)c3cc2c1C[NH3+]	1
CCOc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1	0
Cc1c(N)cccc1C(F)(F)F	0
O[C@@H]1CCC[N@H+](C2C3CC4CC(C3)CC2C4)C1	1
C[NH+]1CCN(c2nnc(-c3ccccc3)c(-c3ccccc3)n2)CC1	1
COc1cc2c(cc1OC)C(Nc1cc(C)ccc1C)=[NH+]C(C)(C)C2	1
C=CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	0
[O-]n1nnc2ccc(C(F)(F)F)cc21	-1
CC[C@@H](CO)Nc1[nH]c2ccccc2[nH+]1	1
CC1(C)CCC[C@@H]1CNC(=O)c1ccc(-c2noc(CCC(F)(F)F)n2)cc1	0
Nc1cc(=O)[nH]c(S/C=C/c2ccccc2)n1	0
COc1ccc(CSCC(=O)Nc2ccccc2)cc1[N+](=O)[O-]	0
COc1ccc(CCNS(=O)(=O)c2ccc(SC)cc2)cc1	0
CC(=[NH2+])Nc1cc(-c2ccccc2)n[nH]1	1
Clc1ccc2cccc(Cl)c2n1	0
O=C(NCc1cccc2ccccc12)c1ccc(Br)cc1	0
O=C(Cc1cccc2ccccc12)Nc1ccc(Br)cn1	0
NC(=[NH2+])C12CC3CC(CC(C3)C1)C2	1
CC1(C)NC(=[NH2+])NC(=N)N1c1ccccc1C(F)(F)F	1
CC(C)[C@](O)(C(=O)OC[C@@H]1CC[N@H+]2CCC[C@@H]12)[C@H](C)O	1
CC1(C)NC(=[NH2+])NC(=N)N1c1c(Cl)cccc1Cl	1
Cc1nc2ccccc2c(=O)n1NC(=O)/C=C/c1ccccc1Cl	0
CCc1cccc(CC)c1N1C(=[NH2+])NC(=N)NC1(C)C	1
C/C(=C\C(=O)Nc1cscc1C)C(=O)[O-]	-1
O=C1Nc2ccccc2/C1=c1/sc2nc3ccccc3n2c1=O	0
C[C@@H]1C[N@@H+](C)[C@H](c2ccccc2)CC1=O	1
CN(C(=O)Nc1ccccc1)C1CC[NH+](C)CC1	1
CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1	0
c1ccc(-n2ccnc2)cc1	0
O=C([O-])c1ccc2c3c1cccc3c(=O)n1c3ccccc3nc21	-1
CN(C)Cc1cc(C[NH+](C)C)c(O)c(CCc2ccccc2)n1	1
Clc1ccccc1CC1=[NH+]CCN1	1
Cc1cc2occc(=O)c2cc1Cl	0
O=c1ccoc2ccccc12	0
C[C@@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CCO1	1
CCOC(=O)N1CCc2[nH]c3ccc(OC)cc3c2C1	0
CCN(CC)C1=C(n2nnc3ccccc32)C(=O)c2ccccc2C1=O	0
NC(=O)NC(=O)c1ccccc1	0
NC(=O)c1ccc(F)c(F)c1F	0
CC(=O)O[C@]1(c2ccccc2)[C@@H]2CN(C3CCCCC3)C(=O)[C@@H]21	0
O=C(COc1ccc(Cl)cc1)Nc1ncccn1	0
COC(=O)[C@H]1[C@H](/C=C/c2ccccc2)[C@@H](C(=O)OC)C(=O)C[C@]1(C)O	0
Cc1ccc(NN)c(C)c1	0
C1=[NH+]CCCN1Cc1cccnc1	1
CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CC[NH2+]CC1	1
COc1ccc(O)cc1C(C)(C)C	0
COc1ccc(NC(=O)CC(C)=O)cc1	0
COC(=O)c1ccc(NC(C)=O)cc1O[C@@H](C)C(C)=O	0
C[N@@H+](Cc1ccccc1)Cc1c([O-])ccc2c3c(c(=O)oc12)CCC3	0
O=C(NCc1ccccc1Cl)c1ccco1	0
N=C(NC(N)=[NH2+])Nc1ccc(SC(F)F)cc1	1
CN1CNS(=O)(=O)c2cnccc21	0
CCn1c(C)[n+](CC)c2cc(C(=O)OC)c(C(=O)OC)cc21	1
CN1CNS(=O)(=O)c2ncccc21	0
O=C(Cn1cnc(Cl)c1Cl)NOC(=O)c1ccc(Cl)cc1	0
[NH3+]C[C@@H](O)c1cccc(O)c1	1
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(O)c1	0
C[NH+]1CCN(c2ncnc3nc[nH]c23)CC1	1
Cc1cccc(NC(=O)CC[NH+]2CCC(C(N)=O)CC2)c1	1
[NH3+][C@@H](CO)C12CC3CC(CC(C3)C1)C2	1
Nc1c2c([nH+]c3ccccc13)CCC[C@@H]2O	1
c1cc(-c2nnc(-c3ccncc3)n2Nc2cc[nH+]cc2)ccn1	1
O=c1c2c(on1Cc1ccccc1)CC[NH2+]CC2	1
Cc1cc(=O)oc(C)c1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	1
Oc1ccc(C[NH+]2CCSCC2)cc1	1
Clc1cc(C[n+]2ccccc2)cc(Cl)n1	1
CC(=O)C(C(C)=O)=C1Nc2ccccc2O1	0
O=C1CC(=O)N2C=CC=CC2=N1	0
c1ccc(-c2nnc(C3CC[NH2+]CC3)o2)cc1	1
CN(C)N1C(=O)c2ccccc2C1=O	0
NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2Cl)cc1	0
OCc1c(F)cccc1Cl	0
C[C@@H]1CN(C(=O)c2ccccc2F)C[C@@H](C)O1	0
CC(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1	0
Cc1n[nH]c(C)c1Br	0
O=C([C@@H]1CCC[N@@H+](Cc2ccncc2)C1)N1CCCCC1	1
O=[N+]([O-])c1ccn(Cc2ccc(Cl)cc2)n1	0
O=c1o[n+]2ccccc2s1	1
CN1Cc2c(n(C)c3ccccc23)C1=O	0
NC(=[NH2+])c1cccc([N+](=O)[O-])c1	1
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccnc1)N2	0
Cc1ccc(N)c(C)n1	0
CN(C)c1ccc(/C=C/C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1	1
O=C(Nc1ccc(Cl)cc1)O/N=C1\CCCC[C@@H]1Cn1ccnc1	0
O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cccnc1	0
Cc1ccc2c(c1)-c1c(ccn1C[C@H](C)[NH3+])C2(C)C	1
COc1ccc2c(c1OC)C(=O)N1N=C(c3ccc(Cl)cc3)C[C@H]21	0
Nc1ccc(C(F)(F)F)nc1	0
C[N+](C)(C)c1cnc(N)nc1	1
Cn1c(-c2cc3ccc([O-])cc3oc2=O)nc2ccccc21	-1
O=C(C[NH+]1CCCC1)NC[C@H]1COc2ccccc2O1	1
CCOC(=O)c1sc(C)c(C)c1NC(=O)c1ccccc1	0
CCOC(=S)NC(C)(C)C	0
Cc1ccc(NC(=[NH2+])Nc2nc(C(F)(F)F)cc(=O)[nH]2)cc1	1
Cn1cc[n+](C)c1COc1ccc(C=O)cc1	1
Cc1c[n+]2c(C(=O)ON(C)C)cccc2n1C	1
C[N+]1=C(c2ccccc2)c2ccc(Br)n2CC1	1
[NH3+]C(COCc1ccccc1)COCc1ccccc1	1
Cc1cc(C)n2nn[n+](Cc3ccccc3)c2n1	1
CC(C)c1c[n+]2cccc(C(=O)ON(C)C)c2n1C	1
CCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1	1
COc1cc2c(cc1OC)[C@@H](c1ccccc1O)[NH2+]CC2	1
COc1cc2c(cc1OC)[C@@H](c1cccc(F)c1)N(C(C)=O)CC2	0
O[C@@H]1CSc2cccc[n+]2C1	1
Cc1cccc(NC(=O)c2sc3ccccc3c2Cl)c1	0
Cc1cc(C[NH+](C)C)c(O)c(C2(C)CCCCC2)c1	1
COC(=O)c1ccccc1	0
CSc1ccc(C)[n+](C)n1	1
CC(C)[C@@H]([NH3+])C(=O)OC(C)(C)C	1
O=C(Cn1c(=O)sc2ccc(Cl)cc21)N1CCC(O)CC1	0
O=C1CC[C@@]2(O1)OC(=O)c1ccccc12	0
COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(C)cc2)cc1	0
O=C(NCc1cccnc1)c1ccccc1O	0
Cc1c(CCO)sc[n+]1C	1
CC(=O)c1ccco1	0
CC(=O)c1cccs1	0
NC(=O)C1CCCCC1	0
CN(C)c1ccc(-n2nnnc2SCc2cc(F)cc(F)c2)cc1	0
Cc1ccc(OC[C@H](O)CN(Cc2ccccc2)c2ccccc2)cc1	0
C=C[C@]12C[N@H+](C)[C@@H]3[C@H]4CO[C@H](C[C@H]41)[C@]1(C(=O)Nc4ccccc41)[C@@H]32	1
Cc1nc2ccccc2n1-c1ccc(S(N)(=O)=O)cc1	0
O=C1CCC[C@H]2[C@@H]3CCC[N@H+]4CCC[C@H](CN12)[C@H]34	1
c1ccc(-c2csc(N3CC[NH2+]CC3)n2)cc1	1
COc1ccc(-c2c[n+]3cn(Cc4ccccc4)c(C)c3c(=O)[nH]2)cc1	1
CC[C@@H]1[NH2+]CCc2c1[nH]c1ccccc21	1
COc1c(C)c[nH+]c(CO)c1C	1
C[N@@H+](C[C@@H](O)COc1ccc2c(c1)OCO2)C1CCCCC1	1
c1ccc(N2CC[NH+](Cc3ccco3)CC2)nc1	1
NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12	1
CCOC(=O)c1c(/N=C/c2ccc([N+](=O)[O-])cc2)sc(C)c1C	0
COc1ccc(/C=C2/NC(=S)[N-]C2=O)c2ccccc12	-1
CCOc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1OCC	0
Cc1ccc(N2CC[NH+](Cc3ccc4c(c3)NC(=O)CO4)CC2)cc1C	1
C[N+](C)(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1	1
COc1ccc([C@@H]2NC(=[NH2+])NC(=N)N2c2ccc(C)cc2)cc1	1
Cc1[nH]c2ccc(Cl)cc2c1C1=CC[NH2+]CC1	1
C[NH+](C)CCN(Cc1ccc(Cl)s1)c1ccccn1	1
Oc1ccc(Cl)c2c1CCC2	0
Cc1cc(O)ccc1Cl	0
Cc1cccc(NC(=O)c2cccnc2)c1	0
Nc1cc(-c2ccc(F)cc2)[nH+]c(N)n1	1
CC(C)(C)NC(=O)Cc1ccccc1	0
CC1CCC([NH+]2CCN(C=O)CC2)CC1	1
CC(C)(C)c1cc(N)nc(N)[nH+]1	1
COc1ccc(C(=O)Cn2c(N)[nH+]c3ccccc32)cc1	1
C[NH+](C)C[C@@H]1CCCC[C@@H]1c1cccc(O)c1	1
O=[N+](Cc1ccccc1O)c1ccccc1	1
COC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1	0
C=CCc1cccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C)C3)c1O	0
C[N@@H+](CC(=O)N1CCCC1=O)Cc1ccccc1	1
CC[C@@H]1CCCCC(=O)N1C	0
C[C@@H](Oc1ccccc1Br)C(=O)N1CCc2ccccc21	0
CC(C)N1CC[C@@H](O)N1C(=O)CC#N	0
C[N+](C)(C)c1cccc(C(=O)NO)c1	1
C#CC1(OC(N)=O)CCCCC1	0
NC(=[NH2+])c1ccc(N2CCC(C3CC[NH+](CC(=O)[O-])CC3)CC2)cc1	1
N#Cc1ccccc1NC(=O)Cc1ccc(Cl)cc1	0
[NH3+]C12C[C@@H]3C[C@H](C1)CC(O[N+](=O)[O-])(C3)C2	1
NC1=[NH+]CCCCS1	1
CC(C)(C)[NH2+]C[C@@H](O)COc1ccccc1-c1ccc(NN)nn1	1
N#Cc1cnn(C2CCCCC2)c1N	0
Clc1ccc(-n2ccnc2)nn1	0
CC(C)[N+](C)(C)C[C@@H](O)COc1cccc2ccccc12	1
NC(=S)c1ncn2c1NC(=S)CC2	0
C[N+]1(C)CCC[C@@H]1COC(=O)C(O)(c1ccccc1)c1ccccc1	1
CN(C)C1=[NH+]C[C@H](c2cc3ccccc3o2)C1	1
CC(=O)N1CCC([NH2+]CC(C)(C)CN(C)C)CC1	1
CC1(C)CC(=O)CC(=O)S1	0
CCOC(=O)Nc1ccc2c(c1)OCO2	0
C/C(=C/c1ccccc1)C[N@H+]1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	1
Clc1ccc(Oc2ccccc2C2=[NH+]CCN2)cc1	1
COCC(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12	1
Cc1cc([N+](=O)[O-])nn1C(=O)c1ccccc1F	0
Fc1ccc(NC2=[NH+]CCN2)cc1	1
C[NH+]1CCN([C@H]2CC(=O)NC2=O)CC1	1
CCOC(=O)N1CCN(C(=O)c2ccc(C#CC(C)(C)O)cc2)CC1	0
CCOC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3	0
Cc1[nH]c2ccccc2c1C(=O)CC#N	0
C[C@@H](c1ccccc1)n1c(SCC(=O)N2CCOCC2)n[nH]c1=O	0
Cc1cc(=O)n(C)c(=O)n1CCC[NH+]1CCCC1	1
Cc1nc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)cs1	0
Cc1ccc([C@@H](Nc2cc(C)ccn2)c2c(C)[nH]c3ccccc23)cc1	0
c1ccc([C@@H]2CNC3=[NH+]CCN32)cc1	1
CCc1ccc(C(=O)[C@H](C)C[NH+]2CCCC2)cc1	1
CC(C)[NH2+]C[C@@H](O)COc1cccc2c1C=CC2	1
COCc1cc(OC(=O)N(C)C)nc2c1c(-c1cccs1)nn2C	0
Cc1cc(C)nc(SCC[NH+]2CCCC2)n1	1
Cc1cn([C@@H]2CO[C@H](CO)S2)c(=O)[nH]c1=O	0
CCS(=O)(=O)C(=C1Nc2ccccc2N1)S(=O)(=O)CC	0
O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1cccnc1	0
CN1C(=O)[C@@]2(CC[NH2+][C@H]2c2ccccc2)c2ccccc21	1
c1coc([C@@H]2OC[C@@H](C[NH+]3CCCCC3)O2)c1	1
CCOC(=O)C1C(c2ccccc2)=Nc2ncnn2[C@@H]1c1ccccc1	0
C[C@@H](O)c1nc2ccc(Cl)cc2[nH]1	0
CNC(=O)N(C)c1nnc(C(C)(C)C)s1	0
Cc1ccc(CNc2oc(COc3ccc(F)cc3)nc2C#N)cc1	0
O=S1(=O)N=C(Nc2ccc(O)cc2)c2ccccc21	0
Cc1cc(Br)ccc1S(=O)(=O)N1CCOCC1	0
CC(=O)Oc1cc(C(=O)NC(C)(C)C)cc(C(=O)NC(C)(C)C)c1	0
CN(C)c1cccc(F)c1C#N	0
CC1(C)CC(=O)N=C(Nc2cccc([N+](=O)[O-])c2)C(=O)C1	0
O=C(Nc1ccc(/C=C/c2ccccc2)cc1)c1ccccc1[N+](=O)[O-]	0
Cc1ccc(CSC2=[NH+]CCN2)cc1	1
O=Cc1ccc(Br)cc1	0
C=CC[n+]1c(C)n(N)c2ccccc21	1
NS(=O)(=O)c1ccc(Cl)cc1	0
Cc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1	0
COc1cc(-c2n(C)c3ccccc3[n+]2C)ccc1O	1
Cn1c(-[n+]2ccccc2)c(/C=N/NC(N)=S)sc1=O	1
Cc1ccc([C@@H](O)c2cccnc2)o1	0
CC(C)(C)OC(=O)Nc1ccccc1N	0
O=C(CCN1C(=O)c2ccccc2C1=O)Nc1nccs1	0
NC(=[NH2+])NN=Cc1ccccc1Cl	1
Cc1cc(C(=O)NC2C[C@@H]3CC[C@H](C2)[N@H+]3C)n2ccccc12	1
CCC(CC)NC(=O)c1ccc(NC(C)=O)cc1	0
O=C(C[NH+]1CCCC1)N1CCc2ccccc21	1
C[NH+](C)CCCn1cnc2c(=O)oc3ccccc3c21	1
O=C1CC[NH+](CCc2ccccc2)CC1	1
C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)NC1=O	0
Cc1conc1N[C@@H](c1cccs1)c1ccc2cccnc2c1O	0
CC(C)C[NH+]1CCC(C(=O)NC[C@@H]2CCCO2)CC1	1
N#CN1Cc2cc3ccccc3nc2C1	0
COC(=O)[C@H]1CCN(C#N)C1	0
CC(=O)Nc1cc(C)nn1C	0
Nc1ccc(F)cc1N	0
C[C@@H](C[N+](C)(C)C)OC(=O)C1(c2ccccc2)CCCC1	1
COc1ccccc1CC[NH3+]	1
N#Cc1ccc(-c2cccnc2)[nH]c1=O	0
[NH2+]=C1N[C@@H]2CS(=O)(=O)C[C@@H]2S1	1
Cc1cc2c(c(Sc3ccc(C(C)(C)C)cc3)n1)C(=O)OC2	0
CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1C(C)C	0
CCOC(=O)C1=C(CN(CC)CC)N(C)C(=O)N[C@@H]1c1ccccc1	0
Nc1cc(F)c(F)cc1F	0
Nc1c(F)ccc(F)c1F	0
CNc1cc(C)[nH+]c(N2CCOCC2)n1	1
CCOC(=O)c1c(NC(=S)Nc2cc(C)ccn2)sc(C)c1C	0
OCc1cc2ccccc2o1	0
[NH3+]Cc1ccc2occc2c1	1
Nn1cn[n+](CC(=O)c2ccccc2)c1	1
Cc1ccc(Cl)cc1NC(=O)C[C@@H]([NH2+]Cc1ccccn1)C(=O)[O-]	0
C[C@@]1(CO)CCO1	0
CCOc1ccc2ccc(=O)oc2c1	0
CC(C)([NH3+])Cc1ccc(F)cc1	1
O=C([C@@H]1CCC[NH2+]1)N1CCN(c2cccc(Cl)c2)CC1	1
C[C@@H]([NH2+]Cc1ccccc1)[C@@H]1COc2ccccc2O1	1
CCOC(=O)[C@H]1CCC[N@H+]1C	1
CC(C)c1ccc(OC(=O)COc2ccc(Br)cc2)cc1	0
Cc1cc([N+](=O)[O-])nn1CC(=O)N1c2ccccc2C[C@@H]1C	0
CN(C)c1cc[n+](CN2C(=O)c3ccccc3C2=O)cc1	1
COc1ccccc1/C=C/C[NH+]1CCSCC1	1
[NH2+]=C1N[C@@H](Cc2cccs2)CS1	1
Cc1ccccc1NN	0
Cc1nc2ccccc2nc1C=O	0
COc1cc2c(cc1OC)NC(=O)C2	0
COC(=O)c1ccccc1NC(=O)c1c([N+](=O)[O-])cnn1C	0
Fc1ccc(C2=CCC[NH2+]C2)cc1	1
Cc1cccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Oc2ccccc2)c1	0
CC[C@@H](CO)NC(=O)[C@H]1C=C2c3cccc4c3c(cn4C)C[C@@H]2[N@H+](C)C1	1
CN1C(=O)C[C@H]([NH+]2CCC(c3nc4ccccc4[nH]3)CC2)C1=O	1
CC(=O)c1ccc2[nH]c(=O)sc2c1	0
CC(=O)n1c(=O)sc2ccccc21	0
Cc1ccccc1N1CCN(CCc2nnc3n2CCCC3)CC1	0
CC1=C(C)C(=O)C(Cc2cccnc2)=C(C)C1=O	0
CC(=O)Oc1ccccc1N1C(=S)NC(C)(C)C=C1C	0
CC(C)(CO)NC(=O)c1ccc(Cl)cc1	0
CC1(C)CC(O)CC(C)(C)N1O	0
C1=CN2C[C@@H](c3ccccc3)N=C2S1	0
C[C@@H](O)c1ccc(-n2cnnn2)cc1	0
C=CCc1cc(OC)c2c(c1OC)OCO2	0
CCOC(=O)N1CCC(NC(=O)CNC(=O)c2cccs2)CC1	0
COc1ccc(/C=C/C(=O)NCCc2nc3ccccc3[nH]2)cc1	0
C[C@@H]1C[C@@H](O)CC[NH2+]1	1
C/C(=C\Cc1c(O)cc(C)c(C=O)c1O)CC[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C	0
O=c1cc(N2CC[NH2+]CC2)nc2ccccn12	1
Cc1n[n+]2cccnc2s1	1
COCc1c(N)c(C)nc(Cl)c1C#N	0
COc1ccc([C@@H]2[NH2+]CC[C@@]3(O)CCCC[C@@H]23)cc1OC	1
C[NH+](C)CCOc1ncncc1F	1
Nc1cnn(-c2ccccc2)c(=O)c1Cl	0
CC1(C)[C@@H]2CC[C@@]1(C)C[N@@H+](C[C@H](O)Cn1c3ccccc3c3ccccc31)C2	1
COc1cccc(NC(=O)COc2ccccc2OC)c1	0
C[C@@H](CC[NH+]1CCN(C=O)CC1)c1ccccc1	1
COc1ccc(OC)c2c(C)cc(N3CCC[N@@H+](C)CC3)nc12	1
CC(C)(C)c1ccc(C(=O)Nc2cccnc2)cc1	0
C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3	1
O=c1[nH]c2cc(Cl)c(-n3cccc3)cc2[nH]c1=O	0
Oc1ccc(F)c(F)c1F	0
Cc1cc(F)ccc1O	0
CSC1=[NH+][C@@H]2CCCC[C@H]2N1	1
CNC(=O)c1ccsc1	0
O=Cc1ccc(N2CCOCC2)cc1	0
CC(=O)C[C@@H](O)c1ccccn1	0
CC(C)(C)c1nc(C(C)(C)C)c(Br)c(NN)[nH+]1	1
COC(=O)c1ccc(Nc2cc(C)[nH+]c3ccc(C)cc23)cc1	1
Cc1n[nH]c(C)c1NC=O	0
FC(F)(F)c1cccnc1N1CCC[NH2+]CC1	1
C[C@]1(C(=O)[O-])CC(=O)N2C=CC=CC2=N1	-1
O=C(c1cccs1)N1Cc2ccccc2NC1=S	0
Nc1c(-c2ccccc2)[nH+]c2ccccn12	1
S=C1NCCN(c2ccccc2)N1	0
Cc1csc(N)c1C(N)=O	0
COc1ccc(N2CC[NH+](Cc3cccc(C)c3)CC2)cc1	1
CS(=O)(=O)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1	1
C[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(F)cc1	1
C[C@@H](Oc1c(Cl)cccc1Cl)C1=[NH+]CCN1	1
Cc1ccc(C(=O)O[C@@H](C)C[NH+]2CCCC2)cc1	1
Cc1cccc(C)c1OC[C@H](O)Cn1c2ccccc2c2ccccc21	0
CC[NH+](CC)CC(=O)Nc1ccc(Br)cc1	1
CC[NH+](CC)CC(=O)Nc1cc(Cl)ccc1Cl	1
Cc1cc(C)n2nc(C)c(C#N)c2n1	0
CC(C)(O)[C@@]1(C)[NH2+]CCc2ccccc21	1
CC(=O)O[C@@H]1CC[NH2+][C@@H]2CCCC[C@H]21	1
C[C@@H](Cc1ccc(F)cc1)[NH+]1CCC(C(N)=O)CC1	1
Cc1cccc(C)c1OCC1C[NH2+]C1	1
O=C1CCCCN1Cc1ccc[nH]1	0
CC(C)(C)[NH2+]CC(=O)Nc1c2c(nc3c1CCC3)CCC2	1
CO/N=C1\C(=O)N(C)c2ccccc21	0
NNc1[nH+]cnc2c1[nH]c1ccccc12	1
Cc1cc(N(C)C)c(C#N)c(N)[nH+]1	1
COc1nn(C[C@H](C)[NH3+])c2c1ccc1occc12	1
CC(C)(C)[NH2+]C[C@@H](O)c1cc(O)cc(O)c1	1
O=C(Cn1ccc(=[NH+]Cc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1	1
COc1ccc(N[C@@H]2CC(=O)NC2=O)cc1	0
Cc1cc(Cl)n(C)n1	0
Oc1cc(F)ccc1Br	0
COC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	0
CN(C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1	0
NC(=S)Nc1ccc2c(c1)CCC2	0
C[C@@H]1CN(c2cc([N+](=O)[O-])ccc2Cl)C[C@@H](C)[NH2+]1	1
C#C[C@H]1NC(=[NH2+])c2ccccc2N1	1
Cc1onc(NS(=O)(=O)c2ccc(N)cc2)c1I	0
CC1(C)Nc2c(N)cccc2[N+]1=O	1
C#CC[n+]1ccn2cccc2c1C	1
Cc1nnc(NC(=O)[C@@H](C)Oc2ccc3c(C)cc(=O)oc3c2)s1	0
C[NH+](C)CCN1C[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCC1=O	2
Cc1ncc(Cl)c(C(N)=O)n1	0
Cc1cc(C)n(C2=[NH+]CCN2)n1	1
O=C1NCCCC[C@@H]1NC1CC[NH+](Cc2ccccc2)CC1	1
CC[C@@H](C)c1ccc(NS(C)(=O)=O)cc1	0
Cc1onc(-c2ccccc2)c1C(=O)NCC[NH+](C)C	1
CS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1	0
CS(=O)(=O)Nc1ccc(OCc2ccccc2)cc1	0
C[C@@H](COc1ccccc1)NC(=O)C[NH+]1CCCC1	1
CN(/C=C/[N+](=O)[O-])c1ccccc1	0
C[C@@H](C(=O)NC1CCCCC1)N(c1ccccc1)S(C)(=O)=O	0
NC1=[NH+]NC2=C(c3ccccc3C(F)(F)F)NNN12	1
COc1cc([C@@H]2[NH2+]CCc3c2[nH]c2ccccc32)ccc1O	1
[NH3+][C@H](Cc1ccccn1)c1ccco1	1
CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@@H]1[NH+]1CCCC1	1
CCn1nc(-c2cccnc2)c2ccccc2c1=O	0
NC(=O)CCc1cc[nH]c1	0
CC(C)(C)[C@@H](O)C[NH+]1CCCC1	1
O=C(CCN1C(=O)c2ccccc2C1=O)NC1CCCC1	0
C[C@@H](CN1C(=O)c2cccnc2Nc2ccccc21)[NH+](C)C	1
CC[NH+](CC)C[C@H]1COc2ccccc2O1	1
Cc1ccc(C(=O)Nc2nnc(C)s2)cc1	0
CC[C@H](c1ccccc1)c1noc(CC[NH+](CC)CC)n1	1
O=C1NN(c2ccccc2)C(=O)/C1=C/C=C/c1ccccc1Cl	0
C[N+](C)(C)Cc1ccco1	1
Cc1cc(OCC(=O)N(C)Cc2ccccc2)cc(C)c1Cl	0
CC1(C)Oc2ccc(C#N)cc2[C@H](OC2=CC(=O)CC2)[C@H]1O	0
O=C(ON=C(c1cccs1)c1cccs1)c1ccc(Cl)cc1	0
Cc1cc(C)cc(C(=O)NCC[NH+](C)C)c1	1
CCCc1cc(C)cc(N)[nH+]1	1
N#CC(=S)Nc1ccccc1	0
CCOC(=O)c1c(C)nn(-c2ccccc2)c1N	0
C=C(C[N+](C)(C)C)OC	1
Cc1cc[n+](Cc2cnc(C)nc2N)cc1	1
O=C(N=C1NCCCCCN1)c1ccccc1Cl	0
CCNc1nn[nH]c1-c1ccccc1	0
O=C1NCC[N@H+]2CCC[C@@H]12	1
CCOC(=O)c1csc(CC[NH3+])n1	1
COc1ccc2c(c1)ncn2-c1ccccc1	0
Cn1c(=O)c2cc(NC(=O)c3cccs3)c(=O)oc2n(C)c1=O	0
O=[N+]([O-])c1ccc2c(c1)NCC2	0
CN1NC2=NN(c3ccc(Br)cc3)NC2=C1N	0
COC(=O)c1cc2cc(S(C)(=O)=O)ccc2[nH]1	0
O[C@@H]1CSCc2nc3ccccc3n2C1	0
C[N+](C)(C)CN1C(=O)c2ccccc2C1=O	1
Cc1cccc(NC2=[NH+]CCN2)c1C	1
C[C@@H](NC(=S)Nc1ccc(C#N)nc1)C(C)(C)C	0
C[N+](C)(C)C[C@@H](O)COc1ccccc1	1
CS(=O)(=O)c1ccc(N2CCCCC2)c(N)c1	0
CCOC(=O)C1(O)c2ccccc2-c2ccccc21	0
COC(=O)c1ccccc1S(=O)(=O)C1CC[NH2+]CC1	1
Cc1[nH]c(=O)n(C(C)(C)C)c(=O)c1C	0
Cc1ccc(NC2=[NH+]C(=N)NC3(CCCCC3)N2)c(C)c1	1
O=C([O-])Cc1coccc1=O	-1
NC(=O)Nc1ccc2n[nH]cc2c1	0
C/[NH+]=C(\c1ccc([N+](=O)[O-])cc1)N(C)C	1
C[n+]1cccc(-c2nc3ccccc3[nH]2)c1	1
CN1C[C@@H](O)C[n+]2c1sc1ccccc12	1
CC(=O)c1ccc(O)cc1	0
C[N+](C)(C)/C=C/c1ccc([N+](=O)[O-])o1	1
C[C@@H]1N(CCC(N)=O)c2ccccc2C1(C)C	0
C[NH+](C)CCNC(=O)Cc1ccccc1	1
NNc1cc(F)ccc1F	0
NNc1cc(Cl)cc(Cl)c1	0
CS(=O)(=O)Nc1ccc([C@H](O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1	2
Cc1nc2sccn2c1-c1csc(Nc2ccccn2)n1	0
NC(=O)c1ccc(NC(=O)CN2CCN(c3ccccn3)CC2)cc1	0
NNc1ccc(F)c(Cl)c1	0
CCC(=O)Nc1nnc(-c2ccccc2Cl)s1	0
COc1ccc(S(N)(=O)=O)cc1C(=O)NC1CC[NH+](C)CC1	1
Cc1sc2ncnc(N3CCN(C)CC3)c2c1-c1ccccc1	0
[NH3+][C@@H]1c2c(ccc3ccccc23)OC[C@@H]1CO	1
C[N@H+]1CC[C@@](O)(c2ccccc2)C(C)(C)C1	1
CC(=O)N1CCC([NH2+]CCc2ccc(F)cc2)CC1	1
c1cc2c(cc1-c1cn3c([n+]1-c1ccc4c(c1)OCCO4)CCCCC3)OCCO2	1
C[C@@H]1CCC[C@@H]([NH+]2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)C1	1
Cc1cc(NCC[NH+](C)C)nc2ccccc12	1
N#Cc1ccccc1NC(=O)C1CC1	0
CCC[C@H](c1ccncc1)n1ccc2ccccc21	0
c1cc2c(cc1C[NH2+]C[C@@H]1CCCO1)OCO2	1
CCOC(=O)c1ccc(Nc2cc(C)[nH+]c(N3CCOCC3)n2)cc1	1
COc1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cn1	0
O=C([N-]CC#CCO)C(F)(F)F	-1
CSc1nc2ccccc2n1Cc1ccccn1	0
CC(C)[NH2+][C@@H](C)Cc1ccc(I)cc1	1
CCSc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl	0
O[C@@H](C[NH2+][C@@H]1CN2CCC1CC2)COc1cccc2ccccc12	1
Nc1ccc(N)c(N)c1	0
CCN1CCC([NH2+]C[C@@H]2CCCO2)CC1	1
CSc1c(-c2ccccc2)c(N)nn1S(=O)(=O)c1ccccc1	0
CC(C)NC(=O)Oc1ccccc1	0
CCOC(C[NH+]1CCCCC1)OCC	1
C[C@H](c1ccccc1)N1C(=O)C=CC1=O	0
CNC(=O)c1ccc(C)c([N+](=O)[O-])c1	0
OCc1nccc2ccccc12	0
Nc1cc(N)[nH+]c(SCC(=O)NC2CCCC2)n1	1
COc1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1	1
Cc1csc(C)[n+]1C	1
Cc1ccc2c(C)c(C#N)c(=O)oc2c1	0
Cn1c2c(c3cc(C4CCCCC4)ccc31)CCC/C2=N\O	0
CSc1nccc2ccccc12	0
Fc1ccc(N2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)cc1	1
Cn1c2c(c(=O)n(C)c1=O)NC(c1ccc(Cl)cc1)C2=O	0
COc1nc(C)cc(C)c1C#N	0
CCOc1ccc(/C=C/C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1	0
Cc1csc2n(C)c3ccccc3[n+]12	1
COc1ccc(C2(C[NH3+])CCOCC2)cc1OC	1
CN1CCCN2CCC[NH+]=C12	1
C[N@H+]1[C@H]2CC[C@@H]1C=C(c1ccc(Cl)cc1)C2	1
CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(N)ccc1OC	1
CCOc1ccc(/C=C/C(=O)Nc2ccccc2C(N)=O)cc1OC	0
CCC[NH+]1CCC(Nc2cc(OC)cc(OC)c2)CC1	1
COc1cc2c3c(c1O)-c1c(cccc1OC)C[C@@H]3[N@@H+](C)CC2	1
COc1ccc2c(c1)C(=O)[C@@H](C[C@]1(O)C(=O)Nc3ccccc31)CC2	0
O=C(/C=C/Sc1nc2cc(Cl)ccc2s1)c1ccccc1	0
CC[NH+](CC)CCOc1ccc(Br)cc1	1
CC(C)(C)c1ccc(NCc2cc3c(cc2[N+](=O)[O-])OCO3)cc1	0
COc1cccc(NC(=S)N2CCOCC2)c1	0
c1ccc(C[NH2+]Cc2ccco2)nc1	1
O=c1[nH]c2ccccc2cc1C[N@H+]1CCc2ccccc2C1	1
C[NH+](C)CCc1cc2c(c3c1ccc1ccccc13)OCO2	1
Cc1cc2c(=O)n(N)c(C)nc2s1	0
CCOC(=O)[C@@]1(c2ccccc2)CCC=C[C@@H]1[NH+](C)C	1
CN(C(=O)Cc1cccc2occc12)[C@@H]1CC[C@]2(CCCO2)C[C@H]1[NH+]1CCCC1	1
O=C(c1cccs1)C1CC1	0
C[C@H]1CC=NN1C(=O)c1cccnc1	0
Cn1c(=N)sc2ccccc21	0
Cc1ncc(CO)c(C)c1O	0
COC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[NH2+]1	1
C[C@@H]1CC(=O)c2cc(Cl)ccc2O1	0
O=C(NCc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1	0
C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1	1
COc1ccc(OC)c(C[N@@H+](C)C2CCN(C)CC2)c1	1
C[C@@]12CCCCC1[N+](=O)CN2O	1
COc1ccc2c(c1)no[n+]2[O-]	0
CC1(C)OC(=O)C[C@@H]1C(=O)[O-]	-1
CC[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1	1
C=CC[C@H]1C[N@H+](C)CC[C@@]1(OC(=O)CC)c1ccccc1	1
CN1C(=O)C[C@H](N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1=O	1
C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccc(C)cc2)C1C(=O)OC	1
Cc1nnc2[nH]c(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)nn12	0
O=c1c2ccccc2nc2ccc(Cl)nn12	0
Cc1ccc(C)c(OCC(=O)Nc2cccc(Cl)c2C)c1	0
CC[NH+](CC)CC(=O)N1c2ccccc2Sc2ccc(Cl)cc21	1
NS(=O)(=O)c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1	0
O=S(=O)(c1ccccc1)N(C1CC[NH2+]CC1)C1CC1	1
CCc1ccc(NC2=[NH+][C@@H](C(=O)NC3CCCCC3)C=C(O)N2)cc1	1
Cc1cc(N(C)C)nc(N2CCOCC2)[nH+]1	1
O=C1[C@H]2C[C@@H]3C[C@H](C2)[C@H](O)[C@H]1C3	0
COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC	0
c1coc(CN2CCC([NH+]3CCOCC3)CC2)c1	1
C[n+]1ccccc1COc1cccc(C=O)c1	1
CCOc1c(CNc2nc3ccc(Cl)cc3s2)cccc1OC	0
CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2ccco2)CC1	0
CCC[NH+](CCC)CC(=O)Nc1cccc2c1OCO2	1
CCN(Cc1ccncc1)C(=O)c1cccs1	0
COC(=O)COc1cc2occ(-c3csc(C)n3)c(=O)c2cc1C	0
NC(=[NH2+])SCc1cccc(Cl)c1	1
CC[C@@H](C)NC(=O)c1cc(=O)n(Cc2cccc(C)c2)c2ccccc12	0
CN1CCC([NH2+]Cc2ccco2)CC1	1
c1ccc(Nc2n[nH]c3c2CCC3)cc1	0
C[NH+]1C(C)(C)CC(NC(=O)c2ccccn2)CC1(C)C	1
Cc1ccc(F)cc1NC(N)=S	0
CCc1[nH]c(=O)nc(N)c1-c1ccccc1	0
Cc1sc(N)c(C#N)c1-c1ccccc1	0
CCn1nccc1C[NH2+]C	1
CCn1ccc(C[NH2+]C)n1	1
[O-][n+]1ccccc1C[n+]1ccccc1	1
Nc1ccc[n+](-c2ccc(F)cc2)c1	1
c1c[nH]c2c3ncccc3nc-2c1	0
CCOc1ccc(C(=O)Nc2sc(C)c(C)c2C(N)=O)cc1	0
COc1ccc(C(=O)n2ncn(C)c2=S)cc1	0
Cc1cc(C=O)c(C)n1-c1ccccc1	0
Cc1ccc(C(=O)COc2ccc(NC(=O)c3ccccc3)cc2)cc1	0
CC(=O)Nc1cccc(-c2cc(=O)c3ccccc3o2)c1O	0
CC1=C[C@@](O)(c2ccccc2)C(=[N+]2CCOCC2)N1O	1
O=C1CC(=O)CC(c2ccccc2)C1	0
CC(C)(C)NC(=O)CSc1ncccn1	0
COc1cc(Cc2c[nH+]c(N)nc2N)cc2c1N[C@@](C)(CF)C(F)=C2C	1
C=CCN(CC=C)C(=O)c1ccc(OCC)cc1	0
Cc1[nH+]ccn1CCCN1C(=O)CNC1=S	1
CC[N@H+]1CCC[C@H](N2C(=O)OC(C)(C)[C@@]2(C)O)C1	1
Cc1ccc(C(=O)Nc2ccccn2)cc1C	0
COC(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1	0
COc1ccc(-c2nc(-c3ccc(Br)cc3)cs2)cc1	0
COc1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1	1
OC1(c2ccc(Cl)cc2)CC[NH+](Cn2nnc3ccccc32)CC1	1
[NH3+][C@H](C(=O)[O-])C1CCC(O)CC1	0
C[C@@]12CCC(=O)C=C1NC(=O)CC2	0
C#CC1(O)CC(C)(C)[NH2+]C(C)(C)C1	1
O=[N+]([O-])c1cccc([C@@H]2[NH2+]CCc3nc[nH]c32)c1	1
O=C(NCc1cccnc1)[C@@H]1CC1(c1ccccc1)c1ccccc1	0
CNC(=S)Nc1ccccc1	0
COc1ccc([C@@H]2SCC(=O)N2c2nc3ccccc3s2)cc1	0
C[C@@H](NC(=S)Nc1ccc(Br)cn1)c1ccccc1	0
COC(C[NH2+][C@@H]1CCCc2c1[nH]c1ccc(C)cc21)OC	1
CCNc1nc(F)cc(F)n1	0
COC(=O)c1cc(OC)c(OC)cc1N	0
CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCO3)C1	1
O=C([C@@H]1CCCC[NH2+]1)N1CCN(Cc2cccnc2)CC1	1
Cc1ccc(C)n1[N@H+](C)c1cccc(F)c1C#N	1
CCOC(=O)NN1C(=O)c2cccc3cccc(c23)C1=O	0
O=C1C[C@H]([NH+]2CCSCC2)C(=O)N1CCc1ccccc1	1
Cc1ccc(NC(N)=S)c(C)c1	0
COC(=O)c1sc(C(=O)OC)c(Cl)c1Cl	0
Cc1ccc(CCSc2ccc(Cl)c(Cl)c2)cn1	0
CC(C)CCNC(=O)C1CC[NH+](Cc2cccnc2)CC1	1
N#Cc1ccc(NC(N)=S)cc1	0
O[C@@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1	1
CC(C)(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	0
CC1=C([N+](=O)[O-])[C@@H](c2ccccc2)NC(=O)N1	0
CC1(C)CC(N2CN=C(N)N(C#N)C2)CC(C)(C)[NH2+]1	1
CC(=O)c1cc(O)c([O-])c([N+](=O)[O-])c1	-1
CCn1ccsc1=N	0
CC(=O)N1CC[NH+](C/C(C)=C\c2ccccc2)CC1	1
[NH3+]CC[C@H]1CCCCC(=O)N1	1
C[n+]1cc(C(=O)NCC[N+](C)(C)Cc2ccccc2)ccc1/C=N/[O-]	1
Cc1ccc2c(c1)SCC(=O)N2	0
Cc1cc(=O)oc2cc(OCC[NH+]3CCN(c4ccc(Cl)c(Cl)c4)CC3)ccc12	1
O=C(Cc1ccccc1)N1CCCc2ccccc21	0
Oc1ccccc1-n1cccc1	0
C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2)C1	1
O=S1(=O)c2ccccc2N(O)C2=NCCN21	0
C[NH+](C)Cc1cc(F)ccc1Sc1ccc(C(F)(F)F)cc1N	1
CN(C)C(=O)[n+]1ccc(N(C)C)cc1	1
O=C(NCC[NH+]1CCCCC1)c1ccc(=O)oc1	1
CCS(=O)(=O)c1ccc(O)c(N)c1	0
N#Cc1ccc(N2CCN(C(=O)COc3ccc4[nH]cc(CC[NH3+])c4c3)CC2)cc1	1
CCOC(N)=C1C=CC(=O)C=C1	0
O=C([O-])c1ccc2cccc(O)c2n1	-1
Nc1nncc(C23CC[NH+](CC2)C3)n1	1
Cc1cc(N(C)C)cc(N)[nH+]1	1
C1=C(c2ccccc2)SCC[NH2+]C1	1
C[NH2+][C@@H](C)Cc1ccc(O)cc1	1
C[C@H](Cc1ccccc1)NC(=O)Cc1ccc(N)cc1	0
CCCc1cc(N2CC[NH+](CC)CC2)n2c(nc3ccccc32)c1C#N	1
O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1nc2ccccc2o1	0
COC12CCC(CC1)C(=O)C2	0
C[NH+]1CCN(C(=O)NCCC2CCCCC2)CC1	1
CC1=C2CCc3ccccc3N2CCC1=O	0
Cn1c(/N=C/c2ccccc2O)nc2ccccc21	0
CC(=O)O[C@@]1(c2ccccn2)COc2ccccc2O1	0
Cn1nnc(C2=CCC[NH2+]C2)n1	1
COc1ccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)cc1	0
CC[NH+](CC)CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(F)cc1	1
COc1ccc(N2C(=O)C(Cl)=C(Nc3cccc(O)c3)C2=O)cc1	0
CCOC(=O)[C@@H]1CCC[N@@H+](C)C1	1
CC[C@@H]1CCC[N@H+]1CNC(=O)c1cc(OC)c(OC)c(OC)c1	1
O=C1c2nccnc2C(=O)N1c1ccc(Cl)c(Cl)c1	0
O=C(NC1CCCC1)c1ccc(COc2ccc3ccccc3c2)o1	0
CS(=O)(=O)c1ccc(N)cc1	0
Cc1nc2n(CC[NH+]3CCCCC3)c3ccccc3n2n1	1
Oc1ccc(-c2cncc(-c3ccc(O)cc3)c2)cc1	0
C[NH2+]Cc1ccncc1	1
CCOC(=O)c1ccc(N2CCN(C)CC2)nc1	0
Cc1ccc(-c2cc[nH]n2)cn1	0
O[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1	1
CCc1cc2c(SCC(=O)c3ccc(Cl)cc3)ncnc2s1	0
CC(C)(C)[NH+](CCO)CCO	1
ClC1(Cl)C[C@@H]1CSC1=[NH+]CCN1	1
CO[n+]1ccc(-c2ccccc2)cc1	1
Oc1c(F)cc(F)cc1F	0
CCCN1C(=O)[C@@H](Cc2nc3ccccc3c(=O)n2C)c2ccccc21	0
O=Cc1ccc(C(F)(F)F)nc1	0
C[NH+](C)C[C@@H](O)c1ccccc1I	1
OCc1cccc2ncccc12	0
C#CC1(NC(N)=O)CCCCC1	0
C[n+]1cc(C#N)cc2ccccc21	1
CC1(C)Cc2ccccc2C(N2CCOCC2)=N1	0
O=C(CSc1ccc(Cl)cc1)NCc1ccc(Cl)cc1	0
C=C(C)Cc1c(C)c(C#N)c2nc3ccccc3n2c1-n1cc[nH+]c1C	1
Brc1ccc2[nH]ccc2c1	0
Oc1ccc(F)c(F)c1	0
CC(=NNC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(O)cc1	0
O=C1Nc2ccccc2C1=NN1C(=S)N=NC1c1ccncc1	0
O=c1oc2cc(O)ccc2s1	0
Nc1nc2ccccc2n1CC[NH+]1CCCC1	1
CC(=O)N1CCN(C(N)=[NH2+])CC1	1
COC(=O)c1sccc1NS(=O)(=O)c1ccc(F)cc1F	0
COc1c(/C=C/C(=O)N2CCCCC2)c(O)c(OC)c2occc12	0
Cc1ccc(O)c(-n2nc3ccccc3n2)c1	0
C[N@H+]1[C@H]2CC[C@@H]1CC(NCc1ccccc1)C2	1
CC[C@]1(C)C[C@]2(CCC[N@@H+](CCO)C2)CCO1	1
CCC[N@@H+](CCO)Cc1ccc(Br)s1	1
O=[N+]([O-])c1ccc(CS(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1	0
Cc1cc(N2CCCCC2)nc(N)[nH+]1	1
FC(F)(F)c1nc2ccccc2[nH]1	0
c1cc[n+](Cc2ccccn2)cc1	1
COc1ccccc1C[N@H+]1CCC[C@@H](CO)C1	1
N#CC[n+]1ccc2ccccc2c1	1
COc1ccc(OC)c(C2=NCC(=O)Nc3c2oc2ccccc32)c1	0
FC(F)(F)c1nnc2ccc(NCc3ccccc3)nn12	0
O=c1cc2ccccn2c2cccc(Cl)c12	0
COc1ccccc1[C@@H](CC[NH3+])c1ccco1	1
Cc1ccc(N[NH+]=C(N)N)cc1	1
Nc1cc(F)ccc1-n1ccnc1	0
CN(C)c1ccc(/C=[NH+]/C2=NN(c3ccccc3)CC2)cc1	1
CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1	0
C[NH+]1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1	1
Nc1ccccc1Nc1[nH]c2ccccc2[nH+]1	1
CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])o2)C1	1
COc1ccc(N2N=C(C(=O)c3ccc(C)cc3)C(O)(O)C2=O)cc1	0
CC[C@H]1OC(c2ccc([N+](=O)[O-])cc2)=Nc2ccccc21	0
C[N@H+]1CCC[C@@H](OC(=O)c2ccco2)C1	1
O=c1c2ccccc2cnn1CCO	0
COc1ccc(OC)c(C[NH+]2CCC(C(=O)NCCC(C)C)CC2)c1	1
Cn1cc(C[NH3+])cn1	1
CC(C)=CCNc1ncnc2[nH]cnc12	0
CC(=O)CC(C)(C)S(=O)(=O)c1ccc(Br)cc1	0
C[N@H+]1CCC[C@@H](OC(=O)COc2ccccc2)C1	1
COc1ccccc1-[n+]1c(-c2ccc(Br)cc2)cn2c1CCCCC2	1
Cc1ccc2c(c1)C(=NNC(N)=[NH2+])C(=O)N2	1
C[NH+](C)CCCc1ccncc1	1
C[C@H]1C[N@@H+](C)CC[C@]1(O)c1ccccc1	1
Fc1cccc2c(N3CCc4ccccc4C3)ccnc12	0
C[NH+](C)CCOC(c1ccccc1)c1ccccc1	1
COc1ccc(-c2cc(-c3ccncc3)c(-c3ccccc3)[nH]2)cc1	0
O=c1cc(CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[nH]c(=O)[nH]1	0
C[NH+](C)Cc1cc(NS(C)(=O)=O)ccc1Oc1ccc(C(F)(F)F)cc1	1
O=c1ccc2ccc(O)c(O)c2o1	0
C[n+]1ccc(C(=O)NO)cc1	1
Cc1cc(C)c2cc(C(=O)NCC[NH+]3CCCCC3)[nH]c2c1	1
CC[C@@H](C)C(=O)N1CCN(c2ccccc2)CC1	0
CC(c1ccc(O)cc1)c1ccc(O)cc1	0
C[N+]1([C@@H]2CC[C@H]3CCC[C@@H]2C32OCCO2)CCOCC1	1
O=C(O/N=C(/c1ccccc1)c1ccncc1)c1ccc([N+](=O)[O-])cc1	0
COc1cccc([C@@]2(O)C=C(C(F)(F)F)NN2C(C)=O)c1	0
O=c1[nH]c2ccc(CC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2s1	1
COc1ccc(/C=N/NC(=S)N/N=C/c2ccc(OC)cc2)cc1	0
CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCN(C(=O)C2CCCCC2)CC1	1
CC[NH+](CC)CCNc1[nH]c(=O)nnc1C	1
Cc1cncc(C[NH+]2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1	1
N#Cc1ccc(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1	0
CC(C)(C)c1ccc(NN)cc1	0
OCC[N@H+]1CCCN(c2nc3ccccc3o2)CC1	1
Cc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCCCC2)cc1	0
COC(=O)c1cc2ccccc2[nH]1	0
O=S1(=O)Nc2ccccc2N1	0
O[C@@](C1=NCCN1)(c1ccc(Cl)cc1)c1ccccn1	0
CC(C)([NH3+])Cc1ccccc1Cl	1
CCc1nc2ccccc2c(=O)n1-c1c(Cl)cccc1Cl	0
c1cc2c(cc1-c1cc(C3CC[NH2+]CC3)[nH]n1)OCO2	1
CN1CC2C[N@@H+](C)CC(C1)C(=O)N2	1
Cc1ccc(NS(C)(=O)=O)cc1Cl	0
CSc1nnc([C@@H]([NH3+])C(C)C)o1	1
CS(=O)(=O)Nc1ccccc1F	0
Fc1c(F)c(Oc2ccccc2)c(F)c(F)c1Oc1ccccc1	0
CC(C)CNC(=O)c1ccccc1F	0
CN1CCC([NH+]2CCN(c3ccc(Cl)cc3)CC2)CC1	1
NC(=O)c1sccc1Cl	0
COC[C@@H](C)NC(=O)Cn1nc(C(F)(F)F)cc1C	0
O=C1c2nc3n(c2C(=O)c2c1nc1n2CCC1)CCC3	0
CCc1c(-c2ccc(O)cc2)c2ccc3cccc1n32	0
COc1ccc(C[NH2+]C2CCN(C(C)=O)CC2)cc1	1
Oc1cc(Cc2ccccc2)cnc1C[NH+]1CCCCC1	1
Cc1ccc(NC(N)=O)cc1Cl	0
Cc1nnc(C)c2c(C)n(-c3ccc(N)cc3)c(C)c12	0
Fc1cccc(Cl)c1-c1nnc2ccc(Cl)nn12	0
COc1ccc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1	0
C[C@@H](Oc1ccccc1)C(=O)Nc1ccncc1	0
OC1CC[NH+](Cc2cccs2)CC1	1
CC(C)(C)CC(=O)Nc1cccc(F)c1	0
S=C(NCc1ccco1)NC1CC1	0
C[NH+]1CCN(C(=O)Nc2cccc3ccccc23)CC1	1
NC(=O)c1ccnc(Cl)c1	0
COc1cc(/C=N/NC(=S)Nc2ccccc2)cc(OC)c1OC	0
Cc1cccc(NC(=S)N/[NH+]=C/c2ccc(N(C)C)cc2)c1	1
c1ccc(-n2cnc3cc(-c4ccc(OCC[NH+]5CCCCC5)cc4)cnc32)cc1	1
CN1C(=O)N[C@H](c2ccccc2)C1=O	0
Oc1ccc([C@H](O)C[NH2+]C2CCC2)cc1O	1
COC(=O)c1c(N)n(-c2cccc(C)c2C)c2nc3ccccc3nc12	0
Cc1nn(C)c(C)c1NC(=O)c1ccccc1NS(C)(=O)=O	0
Cc1ccc(NC(=O)c2cc[nH]n2)c(C)c1	0
[NH3+]C[C@@H](O)c1ccc(O)cc1	1
NC(=[NH2+])[C@@H](O)c1ccc2c(c1)OCO2	1
CN1CCC[NH+]=C1COC(=O)[C@@](O)(c1ccccc1)C1CCCCC1	1
NC(=S)N=NCc1cccc(Cl)c1Cl	0
[NH3+][C@@H](c1ccccc1)P(=O)([O-])[C@@H]([NH3+])c1ccccc1	1
O=c1[nH]c2ccc([O-])cc2c(=O)o1	-1
CSc1nc2c(cc1C#N)CCC2	0
C(=N/c1cccc2c(/N=C/c3cccs3)cccc12)\c1cccs1	0
Cc1ccc2n(C)c(COc3ccc(C=O)cc3)c[n+]2c1	1
C[N@H+]1[C@H]2CC[C@@H]1CC(NS(=O)(=O)c1cccc(C(F)(F)F)c1)C2	1
O=CN1CC[NH2+]CC1	1
CC(C)(O)C#CC1(O)CCCC1	0
Oc1ccc(C[NH2+]Cc2cccs2)cc1	1
CCOc1ccc(C[NH+]2CCC(O)CC2)cc1	1
O=C(CNC(=O)c1ccccc1)OC1CCCCC1	0
[NH3+][C@@H](Cc1ccccc1)C(=O)OCc1ccccc1	1
c1ccc(C2=[NH+]CCN2)cc1	1
Cc1cc(C)c(C(N)=O)c(C)c1	0
Cc1cc[n+](Cc2ccc(Br)cc2)cc1	1
CC1(C)CN(c2cc(=O)c3ccc4ccccc4c3o2)CCO1	0
CN(C)c1cc[n+](C#N)cc1	1
Cc1cc(C)c2c(N)c(C3=[NH+]C(C)(C)Cc4ccccc43)sc2n1	1
Cc1nn(CO)c(C)c1Sc1ccc(Cl)cc1	0
NC(=O)c1occ2ccccc12	0
CC(C)CC[N@H+]1CCNC(=O)[C@H]1CC(=O)N(C)CC[NH+]1CCCC1	2
CC(=O)O[C@@H]1CSc2n(C)c3ccccc3[n+]2C1	1
NC(=[NH2+])Cc1c(Cl)cccc1Cl	1
O=C(COc1ccccc1)NCC[NH+]1CCCC1	1
COc1ccccc1CNC(N)=[NH2+]	1
CC(C(=O)NCC[NH+]1CCCC1)(c1ccccc1)c1ccccc1	1
COc1ccc(CC(=O)O[C@@H](C)C[NH+]2CCCC2)cc1	1
CCN1/C(=C\C=C2C(=O)OC(C)(C)OC2=O)Sc2ccccc21	0
Cc1nn2c(N)c(C#N)cnc2c1-c1ccccc1	0
CC[NH+]1CCN(C(=S)Nc2cccc(F)c2)CC1	1
[O-]c1c[n+]([O-])c2ccccc2[n+]1[O-]	-1
CNS(=O)(=O)c1cccnc1N1CC[NH+](C(C)C)CC1	1
CCOC(=O)C1CC[NH+](Cc2cccnc2)CC1	1
Cn1c(NC2CC[NH+](Cc3ccccc3)CC2)cc(=O)n(C)c1=O	1
COc1cc(OC)cc(C(=O)Nc2ccc(F)c(F)c2)c1	0
CCCN(CCC)C(=O)c1cc(OC)cc(OC)c1	0
Cc1ccc(Cl)nc1	0
COc1ccc(C[NH2+]C[C@@H]2CCCO2)c(OC)c1OC	1
O=C1CN(C(=O)[C@@H]2CCC[NH2+]2)CCN1	1
[NH3+]Cc1c[nH]c2ccccc12	1
C[C@@H](O)C[N+](=O)Cc1ccccc1	1
C[N@H+]1CCCC[C@@H]1C(C)(C)OC(=O)C(c1ccccc1)c1ccccc1	1
COc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(C)CC1	1
Cc1cc(C=O)c(C)n1C1CC1	0
NNc1cc(=O)oc2ccccc12	0
CC(=[NH2+])NCc1ccccn1	1
Cc1[nH]c2ccccc2c1C(=O)CSc1nnnn1-c1ccccc1	0
Cc1ccc(-c2cc3ncc(C#N)c(-c4cccc(C)c4)n3n2)cc1	0
Cc1[nH]c2ccccc2c1CCNC(N)=O	0
Cc1cccc(-c2c(C#N)cnc3ncnn23)c1	0
Cc1ccccc1Cn1cccc1/C=C1\C(=N)N2C=CSC2=NC1=O	0
C[N+]12CCN(CC1)c1ccccc12	1
Nc1cccc(CC(=S)N2CCOCC2)c1	0
C[C@@H]1CCCC[C@@H]1[N@H+]1CNc2c(c(=O)n(C)c(=O)n2C)C1	1
CC1CCN(Cn2ncn(C[NH+]3CCC(C)CC3)c2=S)CC1	1
Cc1c[n+]2ccsc2n1C	1
[NH3+]Cc1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1	1
O=C(c1ccccc1)N(c1ccccn1)[C@@H]1C[NH+]2CCC1CC2	1
CC1=C(c2ccccn2)Oc2ccccc2O1	0
Cc1oc2nc3c(c(NC(=O)CN4CCCC4=O)c2c1C)CCCC3	0
CNc1nc(F)cc(F)n1	0
O=C(CSC(=S)NNc1ccccc1)c1cccc([N+](=O)[O-])c1	0
O=C1C[C@H](c2ccccc2)Oc2cc(O)cc(O)c21	0
Cc1cc(=O)oc2c3c(ccc12)O/C(=C\c1ccc(Cl)cc1)C3=O	0
c1ccc2c(c1)nnn2C[NH+]1CCCC1	1
Nc1nc(N)c2ccccc2[nH+]1	1
CN(C(=S)NCCc1ccccc1)C1CC[NH+](C)CC1	1
Cc1cc(C)[n+]2nc(C)sc2n1	1
CCOc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)ccc1O	0
Oc1cccnc1C[NH+]1CCCC1	1
C[N+]1=Cc2cc3c(cc2CC1)OCO3	1
C[n+]1ccc(C(=O)c2ccccc2)cc1	1
O[C@@](C#CC[NH+]1CCCC1)(c1ccccc1)c1cccnc1	1
c1cnc2nccc[n+]2c1	1
CN1CCC([N@@H+](C)C2CCN(Cc3ccccc3)CC2)CC1	1
C[N@H+]1[C@H]2CC[C@@H]1CC(O)C2	1
C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H]2C[NH+]3CCC2CC3)c1	1
Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1	0
CCc1c2ccc(C)n2c(C)c[n+]1C	1
[NH3+]Cc1ccccc1Sc1ccccc1CO	1
O=[N+]1Cc2ccccc2[C@H](O)C12CCCCC2	1
Cc1ccccc1C(=O)NCC[NH+](C)C	1
O=C(NN1CCCCC1)C1CC[NH2+]CC1	1
CCOC(=O)N1CC[NH+](C[C@@H]2CC=CCC2)CC1	1
Cn1c2cc3ccccc3cc2[n+]2nc3c(cc12)-c1cccc2cccc-3c12	1
c1ccc2c(c1)OC[C@H](C[NH+]1CCCCC1)O2	1
O=c1c2c3c(sc2nc2n1-n1cnnc1-c1ccccc1-2)CCCC3	0
CN1C(=O)C[C@H]([NH2+]CCc2ccc(S(N)(=O)=O)cc2)C1=O	1
O=C1CCCCC(O)CCCC1	0
O[C@@H]1CCC[N@@H+](CCc2ccccc2)C1	1
CC[C@@H]1C(=O)O[C@H](c2ccc(Cl)cc2)C(C)(C)C1=O	0
Nc1cc[nH+]cc1Oc1ccccc1	1
C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C[C@@H](O)C2=O	0
CC(=O)Nc1ccc2[nH]cc(C3=CC[N@@H+](C)CC3)c2c1	1
Clc1cccc(Nc2ncnc3[nH]ccc23)c1	0
O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC(Cc2ccccc2)CC1	1
C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1O	1
NNc1nc(N)nc(C23CC4CC(CC(C4)C2)C3)[nH+]1	1
C[NH+](C)CCCN1C(=O)[C@H]2CC3=C(CCCC3(C)C)C[C@H]2C1=O	1
COc1ccccc1NC(=O)CSc1nc(N)cc(N)[nH+]1	1
C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](/C=C/c2ccccc2)N3)C1	1
Cc1ccc([C@@]2(O)CN(c3ccccc3)C3=[N+]2CCCS3)c(C)c1	1
CCOC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](C)N1C(C)=O	0
Oc1ccc(Nc2nc3nonc3nc2Nc2ccccc2)cc1	0
Cc1ccnc2ccc(C(N)=O)cc12	0
C[N+]1(CCO)CCOCC1	1
COc1cccc(C[NH2+]Cc2cccc(F)c2)c1OC	1
O=S1(=O)C[C@@H](O)[C@@H]([NH+]2CCCC2)C1	1
C=Cn1c[n+](CCC)cn1	1
Nc1ncc(-c2ccccc2)nn1	0
CC[C@@H](C)C(=O)Nc1cc(C)cc(C)c1	0
C[C@@H]1CN(C(=O)c2cc(Cl)ccc2Cl)C[C@@H](C)O1	0
CC(=O)Nc1cccc(NC(=O)c2cc(Cl)ccc2Cl)c1	0
CS(=O)(=O)c1ccc2cc[nH]c2c1	0
C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1	0
NC1=[NH+]N2C(=NC(c3ccccc3)=C[C@@H]2c2ccccc2)N1	1
O=C1C[C@@H](c2ccc(S(=O)(=O)NCc3ccco3)cc2)CN1	0
CN(C(=O)c1ccccc1C(=O)[O-])C1CC(C)(C)[NH2+]C(C)(C)C1	0
COC(=O)c1ccc(C[n+]2c(C)n(N)c3ccccc32)cc1	1
O[C@@H]1CCSc2ccc(Cl)cc21	0
O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)C(F)(F)F	0
CC(C)(C)c1ccc(N2C(=O)CCC2=O)cc1	0
Nc1cc(Cl)ccc1F	0
CS(=O)(=O)Cc1cc[n+](Cc2ccc(F)cc2)cc1	1
CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(O)cc2)NC(=S)N1	0
C[NH2+]Cc1ccccc1CS(=O)(=O)c1ccccc1	1
CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1	1
NC(=[NH2+])c1ccco1	1
CC1(C)CCC(NC(=O)[C@@H]([NH3+])CCC(=O)[O-])CC1	0
CC(=O)Nc1nc2ccccc2n1CC[NH+]1CCCC1	1
COc1ccc([C@@H](C)c2cc3c(cc2O)OCO3)cc1	0
COc1cc(N)cn[n+]1-c1ccccc1	1
C[NH+]1CCN(C(=O)[C@@H]2CCNC2=O)CC1	1
C[NH+]1CCN(C(=S)c2c[nH]c3ccccc23)CC1	1
Clc1cccc(CSC2=[NH+]CCN2)c1	1
Cc1ccsc1C=O	0
Cc1cc(C)c(OC[C@@H](O)C[NH+]2CCCCC2)c(C)c1	1
O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\c1ccc(C(=O)[O-])cc1	-1
Cc1ccc([C@@H]2[C@H]3C[N@@H+](C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1	1
CCOC(=O)n1nc(N)c2c1CN(C(=O)OC(C)(C)C)C2	0
O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc2ccccc2n1	0
CC1(C)C[C@H](O)[C@@H]([C@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)[NH2+]1	1
CCN1C(=O)C[C@]2(C[NH+]3CCC2CC3)C1=O	1
COc1ccccc1OCc1ccc(C(=O)NCC[NH+](C)C)o1	1
Cc1ccc(N2C(=O)CCS[C@@]23C(=O)Nc2ccccc23)cc1	0
Cc1ccc(/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1	0
CC(=O)c1c(C)[nH+]c2ccccc2c1N	1
O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1CC[NH2+]C1CCCCC1	1
N#Cc1cccc(NC(=O)c2ccccc2)c1	0
COc1ccc(-c2nnc(N)o2)cc1	0
COc1ccc2ccccc2c1CN=NC(N)=S	0
Cc1ccc(NC(=S)N/N=C/c2ccc3ccccc3c2)cc1	0
CC(=O)n1ccc(C(=O)Nc2nccs2)n1	0
CNC1=NS(=O)(=O)c2ccccc21	0
C[C@@H]([NH3+])Cc1c2n(c3ncccc13)CCC2	1
CC(=O)Nc1cccc(OC(=O)c2ccoc2C)c1	0
Brc1nc2ccccc2[nH]1	0
NC(=[NH2+])N1CCS(=O)(=O)CC1	1
CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1	1
CC[n+]1cc(N)nc(-c2ccc(Br)cc2)n1	1
CC(NCC1CC[NH2+]CC1)=C1C(=O)CC(C)(C)CC1=O	1
COC(=O)c1ccc(/C=N/NC(N)=S)n1-c1ccc(F)cc1	0
O=c1[n-]c2nc[nH]c(=S)c2[nH]1	-1
Fc1ccc(/C=N/n2cnnc2)cc1	0
Cn1c(=O)c2c(nc(Sc3nc4ccccc4[nH]3)n2C)n(C)c1=O	0
CCOc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@]2(C)C1=O	0
CCc1n(C)c2ccccc2[n+]1C[C@H](O)COc1cccc(C)c1	1
O=C(NCc1ccc2c(c1)OCO2)c1cc(F)c(F)cc1Cl	0
CCOC(=O)N=c1oc2ccccc2o1	0
C[C@@H]1C[N+]2(CCCCC2)C[C@@](O)(c2ccc3ccccc3c2)O1	1
CCOC(=O)C1CCN(C2CC[NH+](C)CC2)CC1	1
CC(C)[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1	1
CC[C@@H](C)c1ccccc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1	0
CC[N+](C)(C)Cc1ccccc1Br	1
COc1ccc(NC(=S)NCC[NH+](C)C)cc1	1
COc1ccc2c(c1)O[C@@H](O)[C@@H](C)C2=O	0
NOCc1ccc(Br)c(O)c1	0
C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Br)cc1	1
COc1cc(O)c([C@@H](C)c2cc(OC)c(OC)c(OC)c2)cc1O	0
CN(/N=C/c1ccncc1)C1=[NH+]CCN1	1
Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1F	0
C[NH+](C)CC(C)(C)C1OCC2(CO1)COC(C(C)(C)C[NH+](C)C)OC2	2
Cc1cc(C(F)(F)F)n2nc(C(N)=O)cc2n1	0
O=C(Cc1ccc(C(F)(F)F)cc1)N1CCCC[C@@H]1C[NH+]1CCCC1	1
COc1cc2c(cc1OC)C(=[NH+]N)NC(C)(C)C2	1
COc1cccc([C@H]2CC(c3c(O)cc(C)oc3=O)=NCCS2)c1	0
Clc1ccc(N2C[C@@H]3CC[NH2+]C[C@@H]32)cn1	1
CCc1c(O)c(=O)ccn1CC	0
CCN(CC)C(=O)[C@@H](C)Oc1ccccc1	0
Nc1nccc2cccnc12	0
C[NH+](C)CCNc1c(N)c(=O)oc2ccccc12	1
NC(=O)OC1CCCC1	0
C[C@@H]1CCc2c(sc3[nH]cnc(=O)c23)C1	0
O=C(N[C@@H]1C[NH+]2CCC1CC2)c1ccco1	1
CC[C@@]1(O)CC[N@H+]2CCc3ccc(C)cc3[C@@H]2C1	1
COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccsc1	0
Cc1ccc(-c2cnco2)cc1	0
CCCN1CCC([N@@H+](C)C2CCN(C)CC2)CC1	1
CC(=O)NN1C(=O)c2ccccc2N[C@@H]1c1nc2ccccc2[nH]1	0
CC(=O)Nc1ccc(F)c(C#N)c1	0
O=C(COc1ccccc1)Nc1ccc(N2CCOCC2)cc1	0
O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@H]1O	0
Cc1[nH]c(C=O)c(C)c1C#N	0
CC(C)[NH2+]C[C@H]1CCc2cc(CO)c([N+](=O)[O-])cc2N1	1
C[C@@H]1Sc2ccccc2NC1=O	0
Cc1nc2ccc(C(=O)NCC[NH+](C)C)cc2nc1C	1
COc1ccc(C[NH2+][C@@H]2CCSC2)c(OC)c1	1
CC(=O)N1CCc2cc(NC3CC[NH+](Cc4ccccc4)CC3)ccc21	1
O=Cc1ccc(OC(=O)c2ccco2)cc1	0
C[N@H+]1C[C@]2(C)CN(C(=S)Nc3ccccc3)C[C@](C)(C1)C2	1
FC(F)(F)[C@H]1CCCN1	0
FC(F)(F)c1cc(-c2cccs2)nc(NCCc2ccccc2)n1	0
CCC1=NC(C)(C)CO1	0
C1CNC2=[NH+]CCCN2C1	1
C[NH+]1CCC2(CC1)NC(=O)N(CN1CC[NH+](C/C=C/c3ccccc3)CC1)C2=O	2
Cc1ccccc1NN=C(C#N)C(N)=S	0
O=C(CSC1=[NH+]CCN1)c1ccc(Cl)cc1	1
CC(=O)Nc1ccoc1	0
CCn1nnc(C2=CCC[N@@H+](C)C2)n1	1
[NH3+][C@@H](CO)Cc1c[nH]cn1	1
O=C(CCC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1	1
Cc1cccc(Cl)c1-c1nn[nH]n1	0
COC(=O)c1ccccc1C	0
Cc1ccc(C(N)=O)cc1Cl	0
Cc1ccc(-c2noc(COc3ccc4c(c3)OCO4)n2)cc1	0
C[N+]1(C)CCN(C(=O)CCC(=O)N2CC[N+](C)(C)CC2)CC1	2
COC(=O)c1ccc(N2C(=O)C[C@H](NCc3ccccc3)C2=O)cc1	0
COc1cccc(OCC(=O)Nc2cc(C)on2)c1	0
O[C@@H]1C[C@@H](c2ccccc2)[NH2+]C2(CCCC2)C1	1
Cc1cc(F)c(F)cc1C(=O)n1ccnc1	0
CC1=CC(C)(C)Nc2ccc(OC(=O)CCC3CCCCC3)cc21	0
CCn1c[n+](C[C@@H](O)COc2ccc(F)cc2)c2cc(C)c(C)cc21	1
COc1cc(CNC(=S)NCCc2ccc(F)cc2)ccc1O	0
Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1	0
Cc1ccc(-c2cn3ccc(C)cc3n2)cc1	0
Cc1nccc(N2CCN(S(C)(=O)=O)CC2)n1	0
c1ccc2cc(-c3cn4ccccc4n3)ccc2c1	0
COc1ccc(Oc2cccc(Oc3ccc(OC)cc3)c2C#N)cc1	0
COc1ccc(OC)c(NC(=O)CN2C(=O)c3ccccc3C2=O)c1	0
CCSc1ccc(C[N+](C)(C)C)s1	1
CC(C)CNS(=O)(=O)c1cccc2cc(N)ccc12	0
Clc1ccc(-c2noc(CSC3=[NH+]CCN3)n2)cc1	1
O=Cc1cccc(F)c1	0
O=c1[nH]c2ccccc2c(=O)n1CC[NH+]1CCSCC1	1
C[C@@H]1C(=O)CC[N@@H+](CCc2ccccc2)[C@@H]1C	1
C[NH+]1CCC(NCc2ccccc2C(F)(F)F)CC1	1
COc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1	1
COc1ccc2c(c1)cc1n2CC[NH+]=C1NN	1
c1ccc(C(Cc2c[nH]cn2)c2ccccc2)cc1	0
CC(=O)c1ccc(C(C)(C)C)cc1N	0
C[N+](C)(C)CCO[N+](=O)[O-]	1
COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	1
CCOC(=O)[C@@H]1CCCN(C(=O)N2CCOCC2)C1	0
Cc1nn(-c2ccccc2)c(C)c1C=O	0
Cc1ccc(-[n+]2cc(-c3ccc(Br)cc3)n3c2CCC3)cc1	1
Cc1cc(N)n(-c2ccc(Br)cc2)n1	0
Clc1ccc(-c2ccc(-c3ncc[nH]3)o2)cc1	0
COC(=O)CC[C@]1(C)C[N@@H+](C)[C@H](C)CC1=O	1
Cn1cc(C=O)c2ccccc21	0
O=C1c2ccccc2C(=O)N1C[C@@H](O)COc1ccc([N+](=O)[O-])cc1	0
COc1ccc(CNS(=O)(=O)c2ccc(OCC(C)C)cc2)cc1	0
CN1C(=O)NC(=O)C(=CC=Cc2ccccc2[N+](=O)[O-])C1=O	0
COc1ccc(C(=O)Nc2ccccc2C(C)C)cc1OC	0
C[C@@H]1CN(c2ncnc3sc4c(c23)CCCC4)C[C@@H](C)O1	0
Cc1ccc([N+](=O)[O-])c2nsnc12	0
Cc1cc(N(C)C)c(C#N)c(N2CCCCC2)[nH+]1	1
CC[N+](CC)(CC)C[C@@H](O)Cn1c(=O)sc2ccccc21	1
NC(=O)c1cc([N+](=O)[O-])ccc1Cl	0
CCn1c(C)[n+](CCO)c2cc(Cl)c(Cl)cc21	1
CN(C)C(=O)On1ccc(=[N+](C)C)cc1	1
N#Cc1cccc(C#N)n1	0
Cc1cc(C)[n+](F)c(C)c1	1
COc1c(F)cc(Br)cc1[N+](=O)[O-]	0
Cc1sc2[nH]c(=O)n(C)c(=O)c2c1C	0
COC(=O)Nc1c(C)cc(C)cc1C	0
N#Cc1c2c(c([NH+]3CCOCC3)[nH]c1=S)CCC2	1
COc1cccc(NC(=S)N(C)C2CC[NH+](C)CC2)c1	1
Nc1ncnc2c1ncn2CC[NH+]1CCCCC1	1
NC1=NC[C@@]2(C[NH+]3CCC2CC3)O1	1
N#Cc1nc(-c2ccccc2)oc1N	0
Nc1cccc(Cl)c1	0
Cc1cccc(NC(=O)[C@@H]2C=C(O)NC(=[NH2+])S2)c1	1
CC[C@@H](C(=O)ON1C(=O)CCC1=O)c1ccccc1	0
CCOc1ccccc1C(=O)Nc1ccc(CC#N)cc1	0
CC(=NNC(=O)CCc1ccccc1)c1cccc(N)c1	0
NC(=O)c1c(F)ccc(F)c1F	0
Cc1cc(C)nc(NC(=N)N2CCCc3ccccc32)n1	0
c1ccc(Oc2nncc3ccccc23)cc1	0
Cc1cc(C)n(-c2cc(N(C)C)[nH+]c(C)n2)n1	1
C[NH+]1C(C)(C)CC(=NOC(=O)c2ccccc2)CC1(C)C	1
O=c1cc[nH]c2cc(N3CCOCC3)c(F)cc12	0
Cc1cc(=O)oc2ccc(O)cc12	0
CCOc1ccc(/C=C2\SC(N3C[C@H](C)O[C@H](C)C3)=NC2=O)cc1	0
c1ccc2c(c1)[nH]c1cnccc12	0
CCOC(=O)c1cc2c(O)cccc2n1C	0
CCN(CC)c1ccc(/C=[NH+]/N2CCOCC2)cc1	1
C[N@H+]1CCC[C@H](C(=O)N2c3ccccc3NC(=O)c3cccnc32)C1	1
CNC(=O)[C@@H](C#N)C(=O)C1CC1	0
O=c1cc[nH]c2c(F)cccc12	0
[NH3+]Cc1nc2c(c(=O)[nH]1)COCC2	1
CC(C)[C@@H](C(=O)N1CCC([NH3+])CC1)[N@H+]1C[C@H](C)O[C@H](C)C1	2
Cn1cncc1CN1OCCC1=O	0
CCOC(=O)c1c2c(cc3sc(C)c(C)[n+]13)-c1cccc3cccc-2c13	1
N#Cc1nnn(-c2ccc(Cl)cc2)c1N	0
N#Cc1ccccc1O	0
CC[N+](CC)(CCO)CCCN1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O	1
C[C@@H]1Cc2scc[n+]2-c2ccccc2N1C=O	1
Cc1c(C(=O)OCC[NH+](C)C)oc2ccccc12	1
Cc1cccc(N(C)N)c1	0
CC1(C)CC(=O)CC(C)(C)N1OC(=O)c1ccco1	0
OCC1=CC[N+]2(Cc3ccccc3)CC[C@H](O)[C@H]12	1
C[NH+]1CCN(c2nc(NCc3ccco3)c3ccccc3n2)CC1	1
CC1(C)OC(=O)C(=Cc2ccc[nH]2)C(=O)O1	0
CC1(C)C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc21	0
CC(=O)Nc1ccc(-c2cn3ccsc3n2)cc1	0
Cn1ncc(C2=CCC[NH2+]C2)n1	1
Cc1cc(C)n2nc(C(=O)[O-])cc2n1	-1
COc1ccc(OC(=O)N(C)CC[NH3+])cc1	1
Cc1ccc2oc(=O)c(C)c([O-])c2c1	-1
Cc1nn(-c2ccccc2)nc1CNS(=O)(=O)c1cn(C)c(C)n1	0
CN1CN=C(SCc2ccccc2)NC1	0
c1cc2c(c(NC3=[NH+]CCN3)c1)CCC2	1
CC[NH+](CC)CCn1c(-c2ccccc2)noc1=N	1
Cc1ccc(-n2cc(C[NH3+])cn2)cc1	1
Cn1cc2c(NC3=[NH+]CCN3)cccc2n1	1
C[C@H]1SC(=O)N=NC1c1ccc2c(c1)C1(CC1)C(=O)N2	0
Cc1ccc(/C=C(\C#N)C(N)=O)o1	0
Cc1ccc(C=C(C#N)C#N)o1	0
Cn1c(O)c(C(=O)Nc2ccccc2)c2cccnc21	0
CN(C)c1ccc(C(=NO)c2ccc(N(C)C)cc2)cc1	0
CC(=O)NCC[N+](C)(C)C	1
CC(C)[N@@H+](C)C1CCN(C(=S)Nc2ccccc2F)CC1	1
CC(=O)O[C@@H](C[N+]1(C)CCCCCC1)c1ccccc1	1
CCC[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F	0
C[C@@H]1NC(=O)O[C@@H]1c1ccccc1	0
Cc1cc(Cl)c(N2CC[NH2+]CC2)cc1S(C)(=O)=O	1
C[C@@H](O)C[NH+]1CCCCC1	1
COc1ccc(CC(=O)Nc2ccccc2C(F)(F)F)cc1OC	0
CC(=O)c1ccc(NC(=O)c2cccnc2Cl)cc1	0
Cc1cc(N)nc(C)[nH+]1	1
COc1cc(C(=O)NCC[NH+]2CCCC2)cc(OC)c1OC	1
Cc1ccc(S(=O)(=O)N2CCC([NH+]3CCCCCC3)CC2)cc1	1
Nc1nc(-c2ccccc2)cn1/N=C/c1cccc([N+](=O)[O-])c1	0
CC(=O)N(C(C)=O)c1nc(-c2ccccc2)cn1/N=C/c1ccccc1	0
CC[NH+](CC)CCn1c(=O)[nH]c2ccccc2c1=O	1
CCOC(=O)c1cc2c(c(CSc3cccc[n+]3[O-])c1)OCOC2	0
COc1ccc(CN2C(=O)CNC2=S)cc1	0
COc1ccc(OC)c(C(=O)C[C@@]2(O)C(=O)Nc3ccc(C)cc32)c1	0
C[C@H]1[C@@H](C)[N@H+](C)CC[C@]1(O)c1ccccc1	1
Cc1ccc2[nH]c(=O)c(-[n+]3ccccc3)c(-c3ccccc3)c2c1	1
Cc1ccc(S(=O)(=O)N2CCC(=O)c3ccccc32)cc1	0
Cn1c(=O)n(C)c2ccccc21	0
CCCc1cnc(N2CCC[NH2+]CC2)nc1	1
Cc1cc(NC(=O)/C=C/C(=O)[O-])no1	-1
Cc1cccc([N-]S(=O)(=O)c2cccs2)c1C	-1
C[NH+]1CCC(=NOc2ccc([N+](=O)[O-])cc2)CC1	1
CC(=O)Nc1ccc(C[NH+]2CCSCC2)cc1	1
O=C(Cn1nnc2ccccc21)NCC[NH+]1CCCC1	1
N=C(N)c1nccc(-c2cccc(C(N)=[NH2+])c2)n1	1
CCN(CC)C(=O)c1ccc(=O)[nH]c1	0
Cc1[nH]c[nH+]c1Cn1ccc2cc(Br)c3ccccc3c2c1=O	1
N#Cc1ccc(CSC2=[NH+]CCCN2)cc1	1
O[C@@H](C[NH2+]C[C@@H](O)[C@H]1CCc2cc(F)ccc2O1)[C@H]1CCc2cc(F)ccc2O1	1
Cc1ccc(Cc2cnc(N)s2)o1	0
CN(C)C(=O)Nc1ccccc1	0
Nc1ccc2nc(SCC(=O)N3CCCCC3)sc2c1	0
C[C@@H](CC[N@H+]1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccccc1	1
Cc1ccccc1N1C[C@@H](C(=O)NC(C)C)CC1=O	0
CCN(CC)C1=CC(=O)OC12CCCCC2	0
CC(C)NC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCOCC1	1
Clc1ccc(-c2cn3ccsc3n2)cc1	0
CCOC(=O)c1sc2nc(C)nc(N[C@@H]3CCCC[C@@H]3C)c2c1C	0
CC(C)(O)C#CC(C)(C)O	0
CC(=O)Nc1ncc(SCc2nc(C)c(C)o2)s1	0
COc1ccc(/C=C/[N+](=O)[O-])cc1O	0
C[NH+](C)CCc1cnccn1	1
CC(C)(C)NC(=O)N1CCCCC1	0
c1cncc(-c2cnn3cc(-c4ccncc4)cnc23)c1	0
O=C(COc1ccccc1)Nc1cc(Cl)c(Cl)cc1Cl	0
Cc1cc(C=C2NC(=O)[N-]C2=O)c(C)n1-c1cc[nH+]cc1	0
O=C1C[C@H]([NH+]2CCCCC2)C(=O)N1c1ccccc1	1
O=C(C[NH+](CCO)CCO)N(C1CCCCC1)C1CCCCC1	1
C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1	0
CC1NC(=O)NC(=O)C1=O	0
CSc1cc(-c2cccs2)n[nH]1	0
[NH3+]CCc1c[nH]cn1	1
CC[NH+]1CCN(c2ccc(C(=O)NCC[C@@H]3CCCC[N@H+]3C)cn2)CC1	2
C[n+]1ccccc1Br	1
CN(C(=O)C[NH+]1CCCCC1)C(C)(C)C(=O)c1ccccc1Cl	1
O=C(C[NH+]1CCCCC1)N1CCNC1=O	1
Cc1ccc(O)c(C)n1	0
O=C(N1CC[NH2+]CC1)N1CCOCC1	1
CCOc1ccccc1[C@@H]1NC(=S)N=C(C)C1C(=O)OCC(C)C	0
c1ccc(-c2c[nH]n3ccnc23)cc1	0
Cc1c(-c2cccs2)nn2cc[nH]c12	0
O=[N+]([O-])c1ccc(CN2CC[NH+](C3CCCCC3)CC2)cc1	1
C/C(=N\NC(N)=S)c1ccc(C)o1	0
COC(=O)CN1C(C)=[NH+]c2ccc(Cl)cc2[C@@H]1c1ccccc1	1
O=C1N[C@@H]2NC(=O)N(C3CCCCC3)[C@H]2N1	0
CC(=O)NC(=O)c1ccccc1O	0
OCc1ccccc1O	0
C[N@@H+](Cc1ccccc1N)C1CCCCC1	1
O=Cc1coc2cc(Cl)ccc2c1=O	0
NNc1ccc(C(F)(F)F)cc1	0
[NH3+]CCc1ccn[nH]1	1
CN(C(=O)c1ccc(N)cc1)C1CC(C)(C)[NH+](C)C(C)(C)C1	1
Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CCCO2)c(C)c1	0
O=C(c1ccc(N2CC[NH2+]CC2)cc1)c1cccc(F)c1	1
CCN(CC)c1ccc(/C=N/n2c(C)cc(C)c(C#N)c2=O)c(O)c1	0
O=C1c2ccccc2C(=O)N1O	0
CCN(CC)c1ccc(/C=N/n2c(C)cc(C)cc2=O)cc1	0
CN(c1ccccc1)C1(O)C(=O)c2ccccc2C1=O	0
O=C(C1=NNC[C@H]1c1ccc2c(c1)OCO2)c1ccc2ccccc2c1	0
[NH3+]Cc1ccccc1OC(F)(F)F	1
C[N@H+]1CCC[C@@H]1c1cccnc1	1
COc1ccccc1C[NH2+]Cc1ccncc1	1
O=C(/C(=N\N=C\c1ccc(Cl)cc1)c1ccccc1)c1ccccc1	0
CC1(C)O[C@@H]2C[C@H]1C[C@H](O)[C@@]2(C)O	0
c1nc2ccsc2c(NN2CCCCC2)[nH+]1	1
O=C([O-])[C@@H]1CCCN1C(=O)Cc1ccccc1	-1
C[n+]1ccc(C#N)cc1	1
COc1ccc(NC(=O)c2ccco2)cc1NC(=O)C(C)(c1ccccc1)c1ccccc1	0
C[NH+](C)CCNC(=O)C12CCC3C[C@@H](C[C@@H](C3)C1)C2	1
Cc1ncc(C[n+]2csc(C)c2C)c(N)n1	1
CC1(C)OC(=O)C(C=Nc2cc(C(F)(F)F)ccc2Cl)C(=O)O1	0
CCOC(=O)N1CCC([NH2+]CC(C)(C)C[NH+](C)C)CC1	2
C[n+]1ccccc1CC(=O)c1ccc(Br)cc1	1
C[NH+](C)CCOC(=O)c1ccccc1	1
CNc1ncnc2cc(C3=NNC(=O)C[C@@H]3C)ccc12	0
COc1cc(OC)c(C[NH3+])c(OC)c1	1
c1cc(-c2ccc3c(c2)CCO3)n[nH]1	0
CC(C)(C)OC(=O)NC1CCC(C[NH3+])CC1	1
O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1CCO	0
c1coc(CNc2nc3ccccc3n2CC[NH+]2CCOCC2)c1	1
COC(=O)CNC(=O)c1ccn[nH]1	0
NS(=O)(=O)c1ccccc1Cl	0
C[C@H]1CC(=O)NN=C1c1cc(-n2ccnc2)cs1	0
O=C(NCc1ccco1)Nc1c(Cl)cc(Cl)cc1Cl	0
O=C(Nc1ccccc1F)c1cccnc1	0
C=CC[N@@H+]1CC=C(c2ccc(F)cc2)CC1	1
CC1(C)Cc2ccccc2-c2nnnn21	0
CC[NH+](CC)CCn1c(C)nn2c3ccccc3nc12	1
CC(=O)Nc1cccc[n+]1C	1
O=C([O-])c1cn(C2CC2)c2cc(N3CC[NH2+]CC3)c(F)cc2c1=O	0
Cn1c(Sc2c3c(nc4ncnn24)CCC3)nnc1-c1ccccc1	0
CNC(=O)Oc1ccc(-c2c[n+]3ccccc3n2C)cc1	1
C[C@@H]([NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21)c1ccccc1	1
C[n+]1ccccc1COc1ccc(C(N)=O)cc1	1
NS(=O)(=O)[C@@H]1CCC[NH2+]C1	1
C[NH+]1CCN(NC(=O)CSc2nccc3ccccc23)CC1	1
N#Cc1ccc(O)cc1	0
CCOC(=O)N1CCN(C(=O)CSc2ccccc2)CC1	0
O=Cc1ccc(OC(=O)COc2ccc(Cl)cc2)cc1	0
COCc1nc2nccnc2c(=O)[nH]1	0
CC[N+]1(C)CCC[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1	1
c1ccc(C(CNC2=[NH+]CCN2)c2ccccc2)cc1	1
CC(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1	0
CCc1ccc(NN)cc1	0
C[C@@H](C[N+](C)(C)C)OC(=O)c1ccc(S(=O)(=O)N(C)C)o1	1
C[NH+](C)CCCN1CNC(=S)NC1	1
N#CC(C#N)=Cc1cccnc1	0
Nc1c(Cl)cc(C(=O)NCCC23CCC[NH+]2CCC3)c2c1CCO2	1
Cc1cccc(Nc2ncnc3ccc(N)cc23)c1	0
Cc1ccnc(NC(=O)c2cccs2)c1	0
C[N+]12CCCC[C@H]1[C@H](CN1C(=O)c3ccccc3C1=O)CCC2	1
[O-][n+]1ccc(N2CCOCC2)cc1	0
Clc1cncc(Cl)c1N1CC[NH2+]CC1	1
CCNC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1	0
CC(C)c1[nH]c2ccccc2c1C(=O)c1cccnc1	0
Cc1c(C[N@@H+]2CCCC[C@@H]2C)c(=O)n(-c2ccccc2)n1C	1
COC(=O)c1ccc([C@@H]2NC(=O)CS2)cc1	0
Cn1ccc2c(NC(=O)Nc3cccnc3)cccc21	0
FC(F)(F)c1ccc2c(c1)nnn2C1CC[NH2+]CC1	1
Cc1cc(C)n(C(=O)c2ccc(Br)o2)n1	0
CC1=CC=CN2C1=NC(C(F)(F)F)(C(F)(F)F)N=C2c1ccco1	0
N#Cc1cnn2c(C(F)(F)F)c3c(nc12)CCCC3	0
Cc1ccc(C[n+]2nc(C)n(N)c2C)cc1	1
Nc1cccc(C(F)(F)F)c1F	0
CN1C(=O)C[C@@H]2C[C@@]1(C)Oc1ccccc12	0
CCOc1ccc(/C=N/n2c(SC)nnc(C(C)(C)C)c2=O)cc1	0
Cc1cc(C)n2n[s+]cc2n1	1
CC1=CC(=O)C(Br)=CC1=O	0
NC(=O)CNC(=O)c1cccs1	0
O=c1ccc(-c2ccncc2)n[nH]1	0
CCC[C@H](C)C(=O)Nc1cc(C)on1	0
CC1(C)C[C@]2(CCC[N@@H+](CCC(N)=O)C2)CCO1	1
CC[n+]1c(C)sc2ccccc21	1
COc1ccc([C@@]2(O)CN3CCCCCC3=[N+]2c2ccccc2)c(F)c1	1
Cc1[nH]c2c(Cl)c(Cl)ccc2c1CC[NH3+]	1
CCN(CC)C(=O)Cc1cccs1	0
Cc1nn(C)c(C)c1C[NH3+]	1
Cc1cccc(C)c1NN	0
COC(=O)c1ccc(/C=C2/NC(=O)NC2=O)cc1	0
CC[n+]1c(SC)ccc2cc(OC)ccc21	1
O=C(COC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)N1CCOCC1	1
CC(C)=CCn1cnc(N)c2ncnc1-2	0
C[C@@]12CC[C@@H](O1)[C@H]1C[NH2+]C[C@H]12	1
CCN1C(=O)/C(=C/c2ccc(OC)cc2OC)C(=O)NC1=S	0
O=C1[C@@H](O)CCN1C1CC[NH2+]CC1	1
C[NH+](C)CCOC(=O)Nc1ccc(Br)cc1	1
C[C@@H](Oc1ccccc1F)C(=O)NCC[NH+]1CCCCC1	1
COC(=O)C1C(C)=NC(=S)N[C@@H]1C	0
C[N@H+]1CCC[C@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12	1
COC(=O)c1ccc([N+](=O)[O-])c(OC(=O)c2cccs2)c1	0
O=S(=O)(CCc1ccccc1)/N=C/c1ccc(Cl)cc1Cl	0
CC(=O)Oc1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1	-1
[NH3+][C@@H]1CCCC[C@@H]1O	1
Cc1cc(C[NH+](C)C)cc(C)c1O	1
CC[C@H]([NH3+])C(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1	2
CC[C@@]1(OC(=O)c2ccccc2)C[C@@H](C)[N@@H+](C)C[C@@H]1C	1
O=C1C=CC(=C2NC=C(O)C=[NH+]2)C=C1	1
CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)c1ccco1	0
CC[n+]1cccn(C)c1=O	1
Cc1cc(=O)c2ccc3c(C)c(C)n(C)c3c2[nH]1	0
CC(=O)c1cc2c(cc1NC(=O)c1c(Cl)cnn1C)OCO2	0
[NH3+]CC12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2	1
Nc1cccc2c1CCC2	0
CC[C@H]1CCCC[N@H+]1Cc1c([O-])ccc2c1oc(=O)c1ccccc12	0
NC(=O)C[NH2+]C1Cc2ccccc2C1	1
CNC(=O)N(O)c1ccccc1	0
C=CCn1c(NCC[NH+](C)C)nc2c1c(=O)[nH]c(=O)n2C	1
CC(=O)SCC[N+](C)(C)C	1
Cc1ccc([C@@H](O)C[NH3+])cn1	1
Cn1c([N+](=O)[O-])cnc1/C=N/c1ccc(Oc2ccc(F)cc2)nc1	0
Oc1ccc(C[C@@H]2CC3CC[NH+]2CC3)cc1O	1
NC(=O)Nc1ccccc1F	0
O=[N+]([O-])c1ccc2oc([C@@H](O)c3ccc(-c4ccccc4)cc3)cc2c1	0
O=C(Nc1cccnc1)c1cc(=O)c2ccccc2o1	0
Cc1ccc(N2C(=O)C[C@H]([NH2+]C3CCCC3)C2=O)cc1	1
CN(C)c1cccc(O)c1	0
C[NH+](C)[C@@H]1CCCCNC1=O	1
NC(=[NH2+])N1CCCC1	1
C[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21	0
[NH3+]Cc1ccccc1N1CCCC1	1
O[C@H]1C[NH2+]C[C@@H]1N1CCOCC1	1
CC1CCN(S(C)(=O)=O)CC1	0
CNS(=O)(=O)c1cc(-c2nn(C)c(=O)c3ccccc23)ccc1C	0
O=C(Nc1cccnc1)c1ccc(OCc2ccccc2Cl)cc1	0
C/C(=N\NC(N)=S)c1ccc(C)nc1	0
CC(C)c1ncc([N+](=O)[O-])n1C	0
CCN(CC)CCNC1=[NH+]CCc2ccccc21	1
C[NH+](C)CCn1cnc2ccccc21	1
COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(C)cc1C	0
C[C@@H](O)C[NH+](Cc1ccc(Cl)cc1)C[C@@H](C)O	1
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccccc1	0
Cc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1	0
COC(=O)c1ccc(C[NH+]2CCCC2)o1	1
NC(=O)c1cccc(Cl)n1	0
Cc1ccc(C)c(C=O)c1O	0
Cc1ccc(-n2nnnc2-c2cnc(N)nc2-c2ccccc2)cc1	0
Cc1cc(C)[n+]2c(n1)S[C@@H](C)C2	1
O=c1c2sccc2nc2n1CCC2	0
CCCC(=O)Nc1nnc(C2CCCCC2)s1	0
Cc1csc2nc([C@H](C)NC(=O)/C=C/c3ccccc3)oc(=O)c12	0
C[C@@H]1[C@@H](c2ccccc2)NC(=O)N1C	0
C[NH2+]C[C@@H](O)c1cc(OC)c(O)c(OC)c1	1
CC(C)(C)C(=O)COc1cccc2nonc12	0
C[C@H]1Oc2ccc(Cl)cc2N(C[C@H](O)CO)C1=O	0
Cc1nc2ccccc2c(=O)n1C[C@H](O)CO	0
CN(C)c1cc(-c2ccccc2)[nH+]c(N)n1	1
C[NH+](C)CCNC(=O)c1ccccn1	1
COc1cc(C[NH2+]C2CCCCCC2)c([N+](=O)[O-])cc1OC	1
COc1cc(C)ccc1NC(=O)CCc1ccccc1	0
CCC(C)(C)C(=O)Nc1ccc(C)cc1OC	0
CC(C)(C)NC(=O)COc1ccc(C[NH2+]Cc2ccccn2)cc1	1
Cc1coc(CC[N+](C)(C)C)c1	1
O=C(CC(c1ccccc1)c1ccccc1)Nc1nccs1	0
Cc1ccoc1CC[N+](C)(C)C	1
COc1ccccc1CC(=O)NC1CCCC1	0
CN(C(=O)Cc1ccccc1)c1ccccc1	0
NNc1ccc2[nH]c(=O)[nH]c2c1	0
CCOc1ccc(Br)cc1C[N+]1(C)CCOCC1	1
COc1cc(/C=N/n2cnnc2)cc(Cl)c1O	0
CC(=O)Oc1cccc(C=C(C#N)C#N)c1	0
CN1C(=O)[N-]C(=O)/C(=C\c2ccc[nH]2)C1=O	-1
C[N@H+]1[C@H]2CCC[C@@H]1CC(NC(=O)c1nccc3ccccc13)C2	1
S=C(Nc1cccnc1)NC1CC[NH+](Cc2ccccc2)CC1	1
COc1cc(Br)c([O-])c(C=O)c1	-1
Cc1ccc(F)cc1NN	0
Nc1ccccc1S(=O)(=O)C(F)F	0
CC[NH+](CC)CCOc1ccccc1C=O	1
Cc1ccc(NN)cc1	0
Nc1nnc(CCS(=O)(=O)c2ccc(Br)cc2)s1	0
CC1(C)C[C@@H]1C(=O)NCc1ccccc1	0
COC(=O)c1sccc1N	0
CN(C)C(=O)c1ccc(Cl)c(Cl)c1	0
C/C(=C/c1ccccc1Cl)[N+](=O)[O-]	0
CN(Cc1cccc(Br)c1)C1CC[NH+](C)CC1	1
COc1ccc(C(=O)N(CC#N)CC#N)c(OC)c1	0
CCC[NH+]1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	1
CC(=O)OC(C)(C)C#CC[NH+]1CCCC1	1
COc1ccc(C=N[n+]2cnn(-c3ccc(C)cc3)c2)cc1	1
N#Cc1ccc(N2CC[NH2+]CC2)nc1	1
NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)N2CCOCC2)CC1	1
Clc1cc2c(c(C[n+]3ccccc3)c1)OCOC2	1
COc1ccc(C[C@H]2[NH2+]CC[C@@]3(O)CCCC[C@H]23)cc1	1
COc1ccc(NS(=O)(=O)N2CCCCC2)cc1	0
ClC(N1CCCC1)=[N+]1CCCC1	1
COc1ccc(CC(N)=[NH2+])cc1	1
C[NH+]1CCN(c2ccc(C(=O)c3ccc(F)cc3)cc2)CC1	1
CC(C)(C)[NH2+]C[C@@H](O)c1cc(Cl)c(N)c(Cl)c1	1
Clc1ccc(Cn2c(C[NH+]3CCCC3)nc3ccccc32)cc1	1
C[C@@H](c1cccc(C(=O)c2ccccc2)c1)c1cc(N)on1	0
CCc1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O	0
O=[N+]([O-])c1cccc2[nH]ccc12	0
NS(=O)(=O)c1ccc(F)cc1F	0
Cc1cc(C(F)(F)F)cc(NN)[nH+]1	1
Cc1occc1CO	0
CCOC(=O)c1ccc(NC(=S)N2CC[NH+](C)CC2)cc1	1
CNC(=O)c1cnc2cc(Cl)ccc2c1OC	0
C[NH+](C)CCn1c(C#N)cc2ccccc21	1
O=C1NC(=O)[C@@]2(CCOc3ccc(F)cc32)N1	0
O=C(CNC(=O)c1ccc(Cl)cc1)NO	0
Cc1ccc(/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1	0
COc1ncc(Br)c(OC)n1	0
CNC(=S)N[N-]S(=O)(=O)c1ccc(C)cc1	-1
CS(=O)(=O)/C(C#N)=C/c1ccc(OCc2cc(F)cc(F)c2)cc1	0
CN(C)/C=[NH+]/c1ccn(Cc2ccccc2)c(=O)c1C#N	1
C[C@@H](O)[C@@H](O)c1ccc(C(N)=O)nc1	0
COc1ccc(Cn2c(-c3ccc(Cl)cc3)c[n+]3ccccc23)cc1	1
O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1	0
COc1cnc2c(c1)c(CCNC(C)=O)cn2C	0
COc1ccc(-n2c(=O)sn(C)c2=O)cc1	0
CC[n+]1ccsc1NC(C)=O	1
N#CCc1ccc(F)c(F)c1	0
C=CCN1C(=O)OC(C)(C)[C@]1(C)O	0
CC[NH+](CC)CCNc1ncnc2sc3c(c12)CC(C)(C)OC3	1
CCOC(=O)c1c(C[NH2+]C(C)C)oc2ccc(OC)cc12	1
Cc1cc(NC(=O)CC[NH+]2CCCCC2)no1	1
CC(=O)[C@@H]([NH3+])c1ccccc1	1
CC(C)C(=O)Nc1cccc(Cl)c1Cl	0
Cc1ccc(CNC(=O)c2ccc(F)cc2)cc1	0
S=c1[nH]c2ccccc2n1Cc1ccccn1	0
Nc1ccc(-n2cccn2)cc1	0
Cn1cccc1-c1ccccc1NCC1=[NH+]CCN1	1
Cc1csc(C(N)=O)c1Cl	0
CC(=O)Nc1nonc1-n1c(C)ccc1C	0
O=C1NCCNC1=CC(=O)c1ccccc1	0
O[C@@H](C[NH2+]Cc1ccccc1C(F)(F)F)C(F)(F)F	1
Cn1c(SCC[NH+]2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C	1
Cn1cccc1C[NH3+]	1
Cn1cccc1C(=O)[O-]	-1
COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(OC)c1O	0
NC(=[NH2+])NN=C1CCOc2ccc([N+](=O)[O-])cc21	1
Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2COc2ccc3c(c2)OCO3)cc1	1
Cc1cc(C)c(S(=O)(=O)N2C[C@H](c3ccccc3)CC2=O)c(C)c1	0
COc1ccc(NC(=O)CC[N@H+]2CCc3ccccc3C2)cc1	1
CC1(C)[NH2+][C@@H](C(=O)[O-])Cc2c1[nH]c1ccccc21	0
O[C@]12N=C(c3ccccc3)S[C@H]1Cc1cc(Cl)ccc12	0
O=[N+]([O-])c1cccc(-n2cccc2)c1	0
COC(=O)CSCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	0
CC(C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1	1
C[NH+](C)CCNC(=O)c1cc(-c2ccco2)nn1-c1ccccc1	1
COC(=O)CSC1=NS(=O)(=O)c2ccccc21	0
CCC(=O)N[C@@H]1C[C@H]2C(=O)Nc3c(C)cccc3[C@@H]2OC1=O	0
C[N@H+]1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	1
C[C@@H]1CC[N@H+](C(C)(C)C)CC1=O	1
C#CC1(O)C[C@@H](C)[NH+](C)[C@H](C)C1	1
CC[C@H](C)Oc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1OC	0
CC1(C)OC(=O)N(c2ccccc2)/C1=C\C[N+](C)(C)C	1
COc1ccc(Cl)cc1-c1nc(N)nc(NN2CCCCC2)[nH+]1	1
CN(C)C(=S)NC1CCCCC1	0
Cc1cc(C)nc(S[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)n1	0
C[C@@H]1C[N@@H+](C)CC(C)(C)[C@@]1(O)c1ccccc1	1
CCN1C(=O)C[C@@]2(C[N+]3(C)CCC2CC3)C1=O	1
Cc1ccc2cc(C(N)=O)c(=N)oc2c1	0
O=C(/C=C/c1ccc2c(c1)OCO2)NC1CCCCCC1	0
CC(=O)c1ccc(N)cc1	0
Cn1c(-c2ccc(NS(C)(=O)=O)cc2)c[n+]2ccccc12	1
Cc1ccc(C(=O)O[C@@H]2C[NH+]3CCC2CC3)cc1	1
C[C@@H]1CC[C@@H]([NH2+]C2CCC(O)CC2)C1	1
Nc1nc(N)c2c(Oc3ccc(F)cc3)cccc2[nH+]1	1
COC(=O)[C@@]1(O)C[NH+]2CCC1CC2	1
CC(C)ON1C(=O)CN(C(=O)Nc2ccccc2)[C@@H]1c1ccccc1	0
CC1[N+](=O)[C@@H](c2ccccc2C(F)(F)F)N(O)C1(C)C	1
Nc1ccccc1C(=O)Nc1ccc(Cl)cc1	0
NC(=O)COc1ccc([N+](=O)[O-])cc1	0
CCOc1cc(C(=O)NCc2cccnc2)cc(OCC)c1OCC	0
CC1(C)[NH2+]CC[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12	1
CC(=O)Nc1ccc2n(CCO)c3ccccc3[n+]2c1	1
N#CCc1ccsc1	0
CC1(C)C[C@@H](O)C[C@](C)(C[NH3+])C1	1
CS(=O)(=O)c1ccc(-c2cn3ccccc3n2)cc1	0
Cc1nn(C)c2c1C(c1cccc(Cl)c1)=[NH+]CCN2	1
CCOC(=O)C1=C(C)NC(=O)NC1	0
CCc1nnc(NC(=O)CC(=O)[O-])s1	-1
CCc1cccc2cc([C@@H](O)C[NH2+]C(C)(C)C)oc12	1
CCc1ccc(O)c(C2(O)C(=O)c3ccccc3C2=O)c1	0
O/N=C/c1ccc(F)c(Cl)c1	0
COc1cccc2c1sn1c3ccccc3c(=O)cc21	0
Cc1ccnn1-c1ccccc1	0
CC(C)(C)CC(=O)NCc1ccc2c(c1)OCO2	0
N#Cc1ccc(F)cc1F	0
NC(=O)C1CC[NH+](C[C@@H](O)Cc2ccc3c(c2)OCO3)CC1	1
CN1C[C@@H](C(=O)N2CC[NH2+]CC2)NC1=O	1
Nc1cc(-c2nc3ncccc3o2)ccc1Cl	0
c1nncn1[NH+]=C1CCCCC1	1
O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccccc1	0
Nc1[nH+]c(-c2ccccc2)cn1Nc1ccccc1	1
CC1=NN(C)c2cccc(C)[n+]2C1	1
COC(=O)c1cc(C)[nH]c1C	0
Cc1c(C#N)c2ccccc2n1C	0
Oc1ccccc1N1CCCC1	0
C[N+](C)(C)c1cccc(N)c1	1
c1ccc(-c2n[nH]cc2C[NH+]2CCN(c3ccccn3)CC2)cc1	1
CCOC(=O)c1cc(CC)sc1NC(=O)c1ccc2c(c1)OCO2	0
COc1ccc(OC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1	0
CC1=N[C@@H](C(C)C)CO1	0
CCC[NH+]1CCC(Cc2ccc(F)cc2)CC1	1
NC(=O)[C@@H]1C[C@@]2(NC(=O)NC2=O)c2cc(F)ccc2O1	0
c1ccc(COCC2(c3ccccc3)CC[NH2+]CC2)cc1	1
COC(=O)[C@@H]1[C@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1[N@@H+]2C	1
NC(=[NH2+])c1ccc(N)cc1	1
N#Cc1ccccc1CN1CCSC1=O	0
CC(C)[N@H+]1C[C@H]2C[C@H](CN(C(=O)c3ccccc3)C2)C1	1
Nc1cc[nH+]cc1N	1
OC1CCN(c2ccccc2F)CC1	0
Nc1ccc2cn[nH]c2c1C(=O)[O-]	-1
CN(C)C(ON1C(=O)CCC1=O)=[N+](C)C	1
COc1cc2[nH+]c(N3CCc4c(ccc5ccccc45)C3)nc(N)c2cc1OC	1
Nc1ccc(Br)cc1N	0
CC(C)OC[C@H](O)C[N@H+]1CCc2ccccc2C1	1
Cn1c[n+](C[C@@H](O)COc2ccccc2)c2ccccc21	1
C[C@@H]1CN(C(=O)COc2ccccc2OC(=O)N(C)C)C[C@@H](C)O1	0
Cc1ccsc1[C@H]([NH3+])Cc1ccccc1	1
C[N+]12CCC[C@@H]1[C@@H]1C[C@H](C2)c2cccc(=O)n2C1	1
CC(C)(C)c1cc(N2CCCC2=O)cc(C(C)(C)C)c1O	0
O[C@@H](CC1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1	1
C[N@@H+](Cc1ccccc1)[C@@H]1CC(=O)N(c2ccccc2)C1=O	1
O=C(c1ccc(Cl)cc1Cl)n1cc([N+](=O)[O-])cn1	0
Cc1ccc(O)c(C2=C[C@@H](c3ccccc3)N3NC=NC3=[NH+]2)c1	1
Cc1ccc(N2C(=O)C[C@H]([NH2+]C[C@@H](C)c3ccccc3)C2=O)cc1	1
NCC(=O)N1CC[N@H+]2CCC[C@H]2C1	1
CCC(CC)n1ccc2c3c(N)nc(N)nc3ccc21	0
CC[NH+](CC)Cc1cc(NC(C)=O)ccc1O	1
CC(C)n1c(=O)c2c(-c3noc(C4CC4)n3)ncn2c2ccccc21	0
O=C1SCCN1Cc1ccccc1	0
CNc1nc(C)cc(C(F)(F)F)n1	0
CC(C)CSc1nnc(COc2ccccc2)n1-c1ccccc1	0
Cc1ccccc1NC(=S)N(C(C)C)C1CC[NH+](C(C)C)CC1	1
CC(C)(C)c1cc(N)c(C#N)s1	0
CCC(=O)Oc1ccc(N(C)C2=NS(=O)(=O)c3ccccc32)cc1	0
Cc1n[nH]c(SCC(=O)Nc2ccc(Br)cn2)n1	0
COc1cc2c(cc1OC)C(C)[N+](=O)[C@@H](c1ccccc1)N2	1
Cc1c(Cl)cccc1NC(=O)C(F)(F)F	0
Cc1cc(C)nc(NC(=[NH2+])N2CCC(C)CC2)n1	1
Cn1cnc2c1c(=O)n(Cc1ccc(Cl)cc1Cl)c(=O)n2C	0
CC(=O)Oc1ccccc1N(C(C)=O)S(=O)(=O)c1ccc(C)cc1	0
C[C@@H]([C@@H](O)c1ccc(O)cc1)[NH+]1CCC(O)(c2ccccc2)CC1	1
COc1ccccc1N1CC[NH2+]CC1	1
O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1CCO	0
CC(=O)N(C)c1ccc([N+](C)(C)C)cc1	1
CC(C)=C1Oc2c(ccc3cc(C)ncc23)C1=O	0
CCOC(=O)Nc1cc2c(c(N)[nH+]1)N=C(c1ccccc1)[C@H](C)N2	1
Cc1nonc1NC(=O)Nc1cccnc1	0
CC(=O)Nc1n[n+]2c(C)cc(C)nc2c2ccccc12	1
CCCn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21	0
O=C1[C@@H]2CC=C[C@@H]2C1(Cl)Cl	0
c1cc(C[NH2+]C[C@@H]2CCCO2)ccn1	1
CCC(CC)C(=O)Nc1c2c(nn1-c1ccccc1C)C[S@@](=O)C2	0
CCn1c[n+](C[C@@H](O)COCc2ccccc2)c2ccccc21	1
CCn1c(=O)c2ccccc2n(-c2cccc([N+](=O)[O-])c2)c1=O	0
NNc1nc(N)c2c([nH+]1)-c1ccccc1CC21CCCC1	1
C[NH+](C)Cc1ccc2c(c1CO)OCO2	1
Nc1nc(N)nc(-c2ccc(Cl)cc2)n1	0
CCc1nnc(NCCc2ccc(C)nc2)s1	0
COC(=O)CCc1ccc(OC[C@H](O)C[NH2+]C(C)C)cc1	1
CC(C)(C)[NH2+]C[C@@H](O)COc1cc(Cl)ccc1C1=CC(=O)CC1	1
C[N@H+]1CC[C@@]2(C)C[C@H](Cc3ccc(O)cc32)C1	1
NOCc1c(F)cccc1Cl	0
CC(C)(C)C(=O)NC(=S)Nc1cccc(O)c1	0
Nc1ccc(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)cc1	1
COc1ccc(Br)c(OC)c1	0
CC[NH+]1CCN(C(=O)c2ccc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)cc2)CC1	1
Cc1cccc(N2C(=N)NC(=[NH2+])NC23CCCCC3)c1	1
c1ccc(-c2csc3ncnc(N4CC[NH2+]CC4)c23)cc1	1
CC12CNCC(c3ccccc3)(C[NH2+]C1)C2=O	1
CCn1c(NC[C@@H](C)O)nc2ccccc21	0
Nc1nc2ccc(OC(F)(F)F)cc2s1	0
COc1ccc(C[N@H+]2CCC[C@@H](O)C2)cc1C	1
Cn1oc2c(c1=O)CC[NH2+]CC2	1
S=C(c1cccs1)N1CCCC1	0
CC1(C)OCO/C1=C\C[N+](C)(C)C	1
O=C1C[C@H]([NH2+]CCC2=CCCCC2)C(=O)N1c1ccc(F)cc1	1
COc1noc2c1CC[NH2+]CC2	1
Cc1ccc(NCn2nc(-c3ccc(C)cc3)oc2=S)cc1	0
O=C1C[C@@H](NCc2ccco2)C(=O)N1c1ccc(F)cc1	0
Cn1cnc(Cc2nc(=O)o[n-]2)c1	-1
CCOC(=O)c1ccc(NC(=O)CSCc2ccco2)cc1	0
CC(=O)C[C@@]1(O)C(=O)Nc2ccc(C)cc21	0
CC(=O)Nc1ccc(S(N)(=O)=O)cc1Cl	0
O=C(Nc1ccc(Cl)cc1)N1CCC[N@@H+](Cc2ccccc2)CC1	1
[NH2+]=C1NC[C@@H]2c3ccccc3Cc3ccccc3N12	1
CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(CC)cc1	0
C[C@@](Cc1ccccc1)(NC(=O)C[NH3+])c1ccccc1	1
CSC1=[NH+]CCN1CC(=O)c1ccc(C)cc1	1
CC[NH+]1CCN(c2ncnc3sc4c(c23)CCC4)CC1	1
NC(=O)c1ccc(C(F)(F)F)o1	0
C[C@@H]([NH3+])Cc1n[nH]c2ccc(Cl)cc12	1
O=S(=O)(Cc1ccccc1)[C@@H]1CCCC[C@@H]1O	0
SCc1cccs1	0
O=C(c1ccccc1F)N1CCC([NH+]2CCCCCC2)CC1	1
CCN(CC)C(=O)c1ccc[n+](CC)c1	1
OCC[NH+](CCO)Cc1csc2ccccc12	1
Cc1cc(O)cc2c1C(=O)CC(C)(C)O2	0
O=C(c1ccco1)N1CC[NH+](C2CCCC2)CC1	1
CC(C)(C)[NH+]1CC(O)C1	1
Nc1c(-c2nnnn2-c2ccccc2)c[nH+]c2ccccc12	1
CN(C)c1ccc(CO)c(F)c1C#N	0
O=C(COc1ccc(Cl)cc1Cl)N1CCOCC1	0
COc1cc([C@H](C)[NH2+]C2CCC(O)CC2)cc(OC)c1OC	1
COc1cc(C[NH2+]C2CCC(O)CC2)cc(OC)c1O	1
COc1cccc(OC)c1OC[C@@H](O)C[NH+]1CCCCC1	1
S=c1[nH]cc2ccccn12	0
N#Cc1ccc(Cl)cc1	0
COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCCc2ccccc21	0
C[C@H]1CN(C(=O)NC2C[C@@H]3CC[C@H](C2)[N@H+]3C)c2ccccc21	1
C[C@@H]([NH2+]C(C)(C)C)C(=O)c1cccc(Cl)c1	1
COc1cc(NC(=O)CC[NH3+])cc2ccccc12	1
Cc1cc(=O)c2c([O-])c3ccoc3c(OC[C@H](O)C[NH2+]C(C)C)c2o1	0
C[NH+](C)[C@H](CNC(=S)NC1CCCCC1)c1cccnc1	1
c1ccc2c(c1)C[N+]1(CCOCC1)C2	1
C=CCN1C(=O)[C@@H]2CCCN2C1=S	0
Cc1c(C)[n+]([O-])c(-c2ccccc2O)n1O	0
O=S(=O)(NN1CCOCC1)c1cc(Cl)ccc1Cl	0
CN(C)C(On1ccccc1=O)=[N+](C)C	1
CN(C)c1ccc(N)cc1	0
CSc1nn(-c2ccccc2)c(C)[n+]1-c1ccccc1	1
CN(C)c1c(F)cc(C(N)=O)cc1F	0
COc1ccc(-c2csc(Nc3cccc(Cl)c3C)n2)cc1	0
CCc1ncnc2cc(OC)c(OC)cc12	0
O=C(NCCc1ccccc1)C1c2ccccc2Oc2ccccc21	0
Cc1ccc(S(=O)(=O)N(CCO)c2ccccc2)cc1	0
C[N@H+]1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@H]3[C@H]1C5	1
O=C1CCn2cnc3cccc4ccc1c2c43	0
COc1cccc(CN2CCC([NH+]3CCCCCC3)CC2)c1	1
Cc1c[nH]c(C=O)c1C	0
CC(=O)c1c[nH]cc1C	0
CCN(CC)C(=O)N1CC[NH+](C)CC1	1
O[C@@]12CCCC[C@@H]1C[NH2+]CC2	1
COc1cc(OC)c(C[NH+]2CCCC2)cc1Br	1
CON1C(=O)c2ccccc2C1=O	0
O=C(NC(=S)Nc1ccc(C[NH+]2CCCC2)cc1)c1ccco1	1
CCc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)s1	0
OCc1c2c(cc3ccccc13)C[N+]1(CCOCC1)C2	1
CN(C)c1cc[nH+]cc1C(=O)Nc1ccc(F)cc1F	1
Clc1ccc(C2=[NH+]CCCN2)cn1	1
COC(=O)[C@H]1C[NH2+]CC[C@H]1O	1
C(=C1/CCC[NH2+]C1)\c1cccnc1	1
CC(C)(CO)C[NH+]1CCCC1	1
C[N+]1(C)CCN(c2ccc(Cl)nn2)CC1	1
c1ccc2nc3c(nc2c1)c1ccccc1n3CC[NH+]1CCCCC1	1
CC(C)[NH2+]C[C@@H](O)COc1cccc2[nH]ccc12	1
COC(=O)c1ccc([C@@H](C)[NH+](C)C)o1	1
Cc1cn(Cc2ccccn2)c(C)[nH+]1	1
Cc1cccc(Cn2cc[nH+]c2C)n1	1
Nc1nc2c(Cc3ccsc3)c[nH]c2c(=O)[nH]1	0
C[NH+](C)CCCn1c(=N)n(C[C@@H](O)C(C)(C)C)c2ccccc21	1
CC[NH+](CC)CC(=O)NC1(Cc2ccc(O)cc2)CCCCC1	1
Nc1ncnc2[nH]cnc12	0
CC(=O)Oc1ccccc1C(=O)O[C@H]1OC(=O)c2ccccc21	0
NC(N)=[NH+]N1Cc2c(Cl)ccc(Cl)c2C1	1
Cc1cccc(C)c1OCC(=O)Nc1oc(-c2ccccc2)cc1C#N	0
C[N@H+]1CCc2cc3c(c4c2[C@@H]1CC41CCC(=NO)CC1)OCO3	1
CC(C)/C=c1\[nH]c(=O)/c(=C\c2ccccc2)[nH]c1=O	0
CC(C)[NH2+]C[C@@H](O)COc1nccs1	1
COc1cc2c(cc1OC)C(=O)NCC(C)(C)O2	0
Cc1ccccc1N1C(=O)c2ccccc2C1=O	0
OCC[NH+](CCO)Cc1cc(F)ccc1F	1
CC(=O)NCCc1cccc2ccc3c(c12)CCCO3	0
CC(=O)NCCc1cccc2ccc3c(c12)C=CCO3	0
C[NH+](C)CCN(Cc1ccccc1)c1ccccc1	1
CC[NH+](CC)CCN(C)Cc1ccc([N+](=O)[O-])cc1	1
O=C1c2ccc(Br)cc2C(=O)N1CNc1ccccc1	0
O=C1c2ccccc2C(=O)N1CNc1ccc(O)cc1	0
Cn1c(NCc2c[nH]c3ccccc23)[nH+]c2ccccc21	1
CC(=O)N1[C@@H](O)CCN1c1ccccc1	0
[NH3+]CC[C@@H](Cc1ccccc1)c1ccco1	1
COc1ccc(C(=O)O[C@@H](C)C[NH+](C)C)cc1	1
CC(C)(O)C#C[C@@H](O)c1cccs1	0
CC(=O)c1c(C)[nH]c(C(=O)NCC[N@H+](C)Cc2ccccc2)c1C	1
CCNC(=O)C[C@@H]1C(=O)N(CC)C(=S)N1NC(=O)c1ccccc1	0
COc1ccc(OCC2=NCCc3ccccc32)cc1	0
C[C@@]12CCC(=O)C=C1CCC2=O	0
NC(=S)NC1CCCC1	0
N#C/C(=C\C=C\c1ccccc1)C(N)=S	0
C[N+](C)(C)CCO[C@H](Cc1ccccc1)c1ccccc1	1
CC(C)NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)nc1	1
COC[C@@H](C)[NH2+]Cc1ccccc1F	1
Cc1cccc(NC(=O)c2ccccc2I)c1	0
Cc1ccc(C(N)=[NH2+])cc1	1
COC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1OC	1
COc1ccc([C@@H]2OC[C@@H](C[NH+]3CCCCC3)O2)cc1	1
CCOC(=O)C[n+]1c(-c2ccc(C)cc2)n(C)c2ccccc21	1
CSc1n[nH]c(C(C)(C)C)n1	0
COc1ccc(C(=O)c2cccc(C(=O)c3ccc(OC)cc3)c2)cc1	0
CCOC(=O)c1cnc2c(CC)cccc2c1N1CC[NH+](C)CC1	1
Cc1nccn1S(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C	0
[NH3+][C@@H]1c2ccccc2C[C@@H]1O	1
C[NH+]1CCC(CNC(=O)Nc2csc3ccccc23)CC1	1
Cc1cc(C)n(C(C)(C)C)n1	0
Nc1ccc(O)c(O)c1	0
CC1(C)CC(Nc2ncnc3sc4c(c23)CCCC4)CC(C)(C)[NH2+]1	1
CCCC1=[N+](C)CCn2cccc21	1
COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CC[NH2+]C[C@@H]1OC	1
Nc1nonc1-c1nc2ccccc2n1Cc1ccc(Cl)cc1	0
c1ccc2c3c(c[nH+]c2c1)OCCN3	1
O[C@H]1COC[C@@H]1N1CCC[NH2+]CC1	1
CCOC(=O)c1c(C[NH+](C)C)oc2ccc(O)cc12	1
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1	0
Cc1cc(Cl)ccc1-n1nnnc1-c1ccc(Br)cc1	0
COc1nnc(-c2ccccc2C)o1	0
N#Cc1c(N)cccc1Cl	0
O=c1oc2ncccc2n1CC[NH+]1CCCC1	1
COc1cc(C=O)ccc1OC1=NS(=O)(=O)c2ccccc21	0
COc1ccc([C@@H]([NH3+])Cc2ccccc2)cc1OC	1
[NH3+][C@@H](CCc1ccc(F)cc1)c1ccc2c(c1)OCCO2	1
C[C@@H](C[NH+](C)C)OC(=O)c1ccc2c(c1)OCO2	1
N#CCN(CC#N)C(=O)C1c2ccccc2Oc2ccccc21	0
[NH3+]CCc1cc(O)c(O)c(O)c1	1
Clc1ccc(-n2cnnn2)cc1	0
O=C(c1ccccc1)n1c(=S)nc2ncccn21	0
CC(=O)Nc1ccc(N)cc1C	0
CC1(C)COC(N)=[NH+]1	1
[NH3+]Cc1ccc(-c2csnn2)cc1	1
C[NH+](C)CCOc1ccc(CN2CC[C@@H]([NH+]3CCC(O)CC3)[C@H](O)C2)cc1	2
COc1ccc(-c2[nH+]c3ccc(C)cn3c2NC2CCCCC2)cc1	1
Cc1ccc(C)c(NC(=O)C[C@@H](C)[C@@H]2COCCO2)c1	0
O=C1C[C@@H](O)CN1C1CC[NH2+]CC1	1
O=[N+]([O-])c1ccc2[nH]cc(CO)c2c1	0
S=C(NC1CCCCC1)N1CCCCC1	0
Cc1cccn2c(NC(=O)c3ccc(F)cc3)c(-c3ccccc3)nc12	0
CC1=CC(=C2C(=O)c3ccccc3C2=O)C=C(C)N1CC[NH+](C)C	1
COc1cccc(NC(=O)c2cc[n+](C)cc2)c1	1
CCN(CC)C(=[NH2+])N1c2ccccc2CC[C@@H]1C	1
Cc1cc(O)ccc1Br	0
Cc1ccc(NC(=O)[C@H]2CC2(C)C)cc1	0
NC(=O)CC[n+]1ccccc1	1
NC(=[NH2+])NC(=[NH2+])Nc1ccc2ccccc2c1	2
O=C(Nc1ccccn1)c1ccc(S(=O)(=O)c2ccccc2)cc1	0
O=C(c1ccc([N+](=O)[O-])cc1)N1CCOC12CCCCC2	0
O=[N+]([O-])N(CCc1ccncc1)c1ccc(OCc2ccccc2)cc1	0
O=C(CSc1ncnc2[nH]cnc12)NC[C@@H]1CCCO1	0
O=c1oc2cccnc2n1CCN1CCCCC1	0
CC1=C[C@@H](C)[C@H](CN=NC(N)=[NH2+])[C@@H](C)C1	1
O=C1[C@H]2CC3C[C@@H]1C[N@H+](C3)C2	1
CC(=O)Oc1ccc(F)cc1F	0
[NH3+]Cc1csc2ccccc12	1
C1=C(c2cc3ccccc3s2)C2CCN1CC2	0
C[N@@H+](CCNC(=O)c1ccccc1Br)Cc1ccccc1	1
Cc1ccc(NC(=O)CS(=O)(=O)c2ccccc2)cc1	0
CCOC(=O)NC(=O)c1cn(CC[NH+](C)C)c(=O)[nH]c1=O	1
CC(C)[NH+](C[C@@H](O)CO)C(C)C	1
CC[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1	0
C[NH2+][C@@H](C)c1nc2cc(Cl)ccc2c(=O)n1C	1
O=C(NCc1ccc2c(c1)OCO2)c1ccccc1N1CCOCC1	0
C[C@@H](O)CC[NH+]1CCC(Cc2ccccc2)CC1	1
Cc1oc2c(c1C(N)=O)CCCC2	0
CCC(=O)N[C@@H]1C[C@@H](C(C)(C)NC(=O)CC)CC=C1C	0
O=[N+]([O-])N=C1NCN(C2CC[NH+](Cc3ccccc3)CC2)CN1	1
C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN2C(=O)NC[C@@H]2C1	1
NC(=O)CC12CC3CC(CC(C3)C1)C2	0
CCOC(=O)c1nsc(Cl)c1Cl	0
Cc1cccc(S(N)(=O)=O)c1	0
COc1ccc(-c2nc(N)nc(N)n2)cc1OC	0
Cc1nn(-c2cccc[n+]2C)c2ncccc12	1
O=[N+]([O-])c1ccc(F)cc1F	0
Cn1c2c(c3ccccc31)C(=O)[C@@H](C[NH+](C)C)CC2	1
CC(=O)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccccc1[N+](=O)[O-]	0
O=C(COc1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1	0
CCOC(=O)[C@@H]1CS[C@@H](CC(=O)Nc2ccccc2)C(=O)N1	0
Clc1ccc(N2CCN(C/C=C/c3ccccc3)CC2)nn1	0
C[C@H]([C@H](O)c1ccc(O)cc1)[NH+]1CCC(Cc2ccccc2)CC1	1
Cc1ccc(-c2c[n+]3ccccc3n2-c2ccc(Br)cc2)cc1	1
CC(=O)Oc1c(C)cc(OC[C@@H](O)C[NH2+]C(C)C)c(C)c1C	1
CC(C)(/C=N/O)[N+](=O)Cc1ccccn1	1
CCOC(=O)c1cnc2ccccc2c1NCCN1CCOCC1	0
CC(C)n1c(=O)n(C(=O)NC2C[C@@H]3CC[C@H](C2)[N@H+]3C)c2ccccc21	1
CC1(C)N(O)CC(c2cccs2)[N+]1=O	1
C[NH+](C)CCNC(=O)c1c[nH]c2ccccc12	1
CN(Cc1ccccc1)S(C)(=O)=O	0
CCOC(=O)C1CCN(S(C)(=O)=O)CC1	0
COC1CC[NH+](C[C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1	1
C/C(CCc1oc2ccccc2c1-c1ccc(C)o1)=N\NC(N)=S	0
COC(=O)[C@@H]1CC[NH2+]CCN1	1
Cc1cc(NN)[nH+]c(N2CCOCC2)n1	1
CCc1cc2c(Nc3cc[nH+]cc3)ncnc2s1	1
Cc1ccc(OC[C@H](O)C[NH2+]C(C)(C)C)c2oc(=O)ccc12	1
Cc1cc(=O)oc2c(C[NH+]3CCCC3)c([O-])ccc12	0
Cc1ccccc1OCC(=O)NN1CC[NH+](C)CC1	1
Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]C(C)(C)C)c1	1
CC(C)(C)c1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1	0
C/C(=N\N1CCN(c2ccccn2)CC1)c1cccs1	0
Clc1nc[nH]c1Cl	0
CN1CCn2cc(C[NH+](C)C)c3ncnc1c32	1
CCOC(=O)c1cc(CC)sc1NC(=O)CC[NH+]1CCCCC1	1
C[C@@H](C[NH+](C)C)Nc1ccnc2cc(Cl)ccc12	1
CC[C@@H](C)c1ccc(OCC(=O)Nc2sc(C)c(C)c2C#N)cc1	0
O=C1Nc2ccc(F)cc2[C@@]1(O)Cc1ccncc1	0
Cc1nn(C[C@@H](O)COc2ccc3ccccc3c2)c(C)c1Cl	0
COCC[NH+]1CCC[C@@]2(CC[N@H+](C3CCOCC3)C2)C1	2
Cc1ccc(-c2ccc(=O)n(CC(=O)NCC[NH+](C)C)n2)cc1	1
C[NH+](C)CCOC(=O)C1(c2ccccc2)CCCC1	1
CCOC(=O)c1cc[n+](C)cc1	1
CCOC(=O)c1cccc[n+]1C	1
CN(C)S(=O)(=O)c1ccccc1C#N	0
CC1(C)C(c2ccco2)[N+](=O)C(C)(C)N1O	1
C[C@@H]([NH3+])[C@@H]1COc2ccccc2O1	1
Cc1ccc(OC[C@H](O)c2cccnc2)c(C)c1	0
CC1(C)N=c2ccc(=C(C#N)C#N)cc2N1	0
O=C(O[C@@H]1C[NH+]2CCC1CC2)c1cccc(F)c1	1
Fc1ccccc1C[NH2+]Cc1ccc2c(c1)OCO2	1
Nc1cc[nH+]cc1C(=O)C1CCCCC1	1
Cc1cc(C)c(C(=O)Cn2c(=S)[nH]c3ccccc32)c(C)c1	0
COC(=O)c1c(O)ccc(Cl)c1O	0
O=C(C[NH2+]Cc1ccco1)Nc1cccc(C(F)(F)F)c1	1
O=C1C(Cl)=C(Nc2ccc(O)cc2)C(=O)c2cnccc21	0
Cn1c(C[NH+]2CCCCC2)c(C#N)c2ccccc21	1
C[N+](=O)Cc1ccc[nH]1	1
N#Cc1ccc(-n2cnc3ccccc3c2=O)cc1C#N	0
COc1cccc(C(=O)Nc2c3c([nH+]c4c2CCC4)CCCC3)c1	1
CCOC(=O)c1c(N)sc2c1CC(C)(C)[NH2+]C2(C)C	1
COc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)cc1	1
Cc1ccccc1N1CCN(C(=O)c2ccccc2O)CC1	0
COC(=O)c1cnn(-c2ccccc2)c1/C=N/OC(=O)c1ccccc1	0
Clc1cccc2ncccc12	0
N#Cc1ccccc1Cl	0
CN1C[C@H](CC[NH+](C)C)Cc2ncccc2C1=O	1
C[N+]12CCCC[C@@H]1[C@H](CO)CCC2	1
COc1ccc2[nH]c3c(=O)n(CC[NH+](C)C)cnc3c2c1	1
COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)Nc1ccccc1	0
O=c1cccc2[nH]cccc1-2	0
O=[N+]([O-])c1cccc2nc(C[n+]3ccccc3)[nH]c12	1
CCC(O)(C#CC[NH+]1CCCC1)CC	1
[NH3+][C@@H]1C(=O)NCC12CCOCC2	1
Cc1ccnc2ccc(Br)c[n+]12	1
S=c1[nH]ccn1Cc1ccoc1	0
CCOC(=O)c1ccccc1OC(N)=O	0
Nc1ccccc1C(=O)CC[NH3+]	1
CCOC(=O)c1c(N)sc(C(C)=O)c1C	0
O=C1CCC2CCC(=O)N12	0
O=C1c2ccccc2[C@@]2(O)NC(=S)N[C@@]12O	0
[NH3+]CC(=O)Nc1ccc2ccccc2c1	1
OC1CC[NH+](Cc2ccsc2)CC1	1
Cn1nnnc1SC(c1ccccc1)c1ccccc1	0
CN(N)c1cc(C(F)(F)F)cc[nH+]1	1
Cn1nc(C(C)(C)C)cc1C(=O)NCc1cc(F)cc2c1OCOC2	0
CC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N	0
Cn1cnc2sncc(=O)c21	0
CCOC(=O)/C(C(C)=O)=C1\SC[C@@H](C)S1	0
N#Cc1cccc2cnccc12	0
FC(F)(F)c1cnc(C[n+]2ccccc2)c(Cl)c1	1
CCOC(=O)Cc1c(-[n+]2ccccc2)[nH]c2ccccc12	1
O=S(=O)(NCCc1ccccc1)c1cccc2nsnc12	0
O=c1[n-]c(=O)c(Br)c[nH]1	-1
O=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccco1	0
C[C@H](SC(=O)c1cccs1)C(=O)N[C@H]1CCSC1=O	0
Cc1cccc(N(C)c2ncnc3n[nH]cc23)c1	0
CC(=O)NC1Cc2cccc3cccc(c23)C1	0
Nc1nnc(CC[NH+]2CCCCC2)s1	1
CNC1=NC(=O)[C@]2(CC(C)(C)Oc3ccc(F)cc32)N1	0
Nc1ccc2c(c1)NC(=O)CS2	0
CC(=O)N1C[C@@H]2c3ccccc3CCN2[C@H]1c1ccccc1	0
C[C@@H](NC(=O)c1nc[nH]n1)c1ccc(-c2ccccc2)cc1	0
CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O	0
CCOC(=O)c1csc(COc2cc(Cl)cc(Cl)c2)n1	0
O=C1c2cc(Cl)ccc2O[C@@H]2CCON12	0
Cc1ncc([N+](=O)[O-])n1C[C@@H](C)O	0
O=C(c1cc2ccccc2oc1=O)N1CCOCC1	0
Cc1cc(/C=C/c2ccc(F)cc2)cc(C)c1O	0
CC(=O)c1ccc(NC(=O)O[C@H]2CCN3Cc4ccccc4[NH+]=C23)cc1	1
CSc1nn(-c2ccccc2)c[n+]1-c1ccccc1	1
COc1ccc([C@@H]([NH3+])CC(=O)[O-])cc1	0
O=S(=O)(Nc1ccccn1)c1ccccc1	0
COc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)NC1CCCCC1	0
Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1	0
Nc1cc[n+](C[C@@H](O)CO)cc1	1
CN(C)C(=S)NCc1cccs1	0
O[C@@H](CN1C2=[NH+]CCN2c2ccccc21)c1ccc2c(c1)OCO2	1
Nc1nc(OCc2ccccc2)c2[nH]c(N)nc2n1	0
CCc1ccccc1NC(=O)COc1ccc(Br)cc1	0
Cc1ccc(OCC(=O)N2CCOCC2)cc1	0
C[C@@H]1O[C@@](O)(c2ccc([N+](=O)[O-])cc2)CC[N+]12CCCCC2	1
CC(=O)c1cc(C(C)=O)c(C)[n+](C)c1C	1
C[C@@H]1O[C@@](O)(c2ccc(Cl)cc2)C[N+]12CCCCC2	1
O=Cc1ccc(Br)o1	0
Fc1ccccc1N1CC[NH2+]CC1	1
N#Cc1cc2ccccc2c[n+]1N	1
COc1ccc2c(CC[NH3+])c[nH]c2c1	1
O=C(C1=NCC(c2ccccc2)=N1)c1cccc([N+](=O)[O-])c1	0
O=c1[n-]n(-c2cccc(C(F)(F)F)c2)n[o+]1	0
COc1ccc(CNC(=O)[C@@H]2CCC[NH2+]2)cc1OC	1
Cc1ccnc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)c1	0
C[NH+]1CCN(/C=N/c2ncc(C(F)(F)F)cc2Cl)CC1	1
Cc1ccc([C@@]2(O)C[NH+]3CCC2CC3)c(C)c1	1
C[NH+](C)CCNC(=O)Cn1c(=S)[nH]c2ccccc2c1=O	1
Cc1cc(=O)oc(C)c1C(=O)NCC[NH+]1CCCCC1	1
CCOC(=O)C1CC[NH+](c2ccc(N)cc2)CC1	1
Cc1cc(C)nc(S[C@@H](C)C[NH+](C)C)n1	1
CC1(C)CC(NC(=S)Nc2ccccc2)CC(C)(C)[NH2+]1	1
CS(=O)(=O)c1ccc2c(c1)CCN2	0
CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1cccnc1	0
COc1cccc(C(=O)N2CCOCC2)c1	0
CCNC(=O)c1ccc(-c2ccccc2)cc1	0
COC(=O)c1ccccc1NC(=O)c1cccs1	0
NC1=[NH+]C[C@@H]2CCCC[C@@H]2S1	1
Cc1nc2nc(=S)[nH]n2c(C)c1C	0
Nc1ccc(Br)cc1F	0
Cc1ccc(N)c(N)c1C	0
CC[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cc2)CC1	1
Cc1ccc2c(c1)C(=O)c1ccccc1CO2	0
CNC(=O)c1ccccc1C	0
CNC(=O)c1ccccc1	0
C[N@@H+](CCCn1c(=S)[nH]c2ncccc2c1=O)Cc1ccccc1	1
O=C(NC1CCCCCC1)N1CCOCC1	0
C[C@@H]1C[C@@H](C)CN(C(=O)N2CCOCC2)C1	0
Cc1cc(C)[n+](C)c(C)c1[N+](=O)[O-]	1
N#Cc1c2c(c(=O)n(-c3ccccc3)c1N)CCCC2	0
Cc1cc(C)[n+]2nc(-c3ccccc3)oc2n1	1
COc1cc(C(=O)NC2CC[NH+](C)CC2)nc2ccccc12	1
CN(C)S(=O)(=O)c1cccc(C[NH+]2CCC(C[NH3+])CC2)c1	2
COc1ccc(N2C[C@@](O)(Cc3ccc(C)cc3)[n+]3ccccc32)cc1	1
Cn1c(CC[NH3+])nc2ccccc21	1
Oc1ccc(-c2cn3c([n+]2-c2ccc(O)cc2)CCC3)cc1	1
Cc1ccccc1NS(=O)(=O)c1ccc(F)cc1	0
CC[n+]1cc(-c2ccccc2)nc(N2CCOCC2)n1	1
C[n+]1cccc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)c1	1
NC(=O)c1csc(-c2ccc(F)cc2F)n1	0
CN1CCN(Cc2ccc3[nH]cc(CC[NH3+])c3c2)S1(=O)=O	1
COC[C@@H](C)[NH2+]Cc1cc(OC)cc(OC)c1	1
CCN(C(=O)c1ccco1)c1ccccc1C	0
C[C@@H]1C[C@@H](C)CN(C(=O)c2ccco2)C1	0
C[n+]1ccccc1I	1
CCOC(=O)C[C@@H]([NH3+])c1cccc(O)c1	1
Cc1ccc([C@@]2(O)CN3CCCSC3=[N+]2Cc2ccccc2)cc1	1
CCc1ccc(N2NC(=O)C(=C(C)C)C2=O)cc1	0
Cc1cc(C(=O)NCc2oc(C(C)(C)C)cc2C(=O)[O-])c(C)o1	-1
CC(=O)[N-]C(=O)c1cnn(-c2ccccc2)c1N	-1
Nc1ccc2n[nH]cc2c1	0
C[C@@H]1CN(c2ccc(NC(=O)CC#N)cc2)C[C@@H](C)O1	0
CN(Cc1ccccc1)C(=O)C1CCCCC1	0
C[C@@H]1C[C@@H](OC(=O)C[NH+]2CCCCC2)CC(C)(C)C1	1
CNC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O	0
OC1CC[NH+](Cc2ccc3c(c2)OCO3)CC1	1
OC[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)OCO2	1
CCOc1cc(CNc2ccc(N3CCOCC3)cc2)cc(Br)c1OCC	0
CO/N=C(/C(=O)[O-])c1cn2ccccc2n1	-1
C[C@@H]([NH3+])C1CCC(C(=O)Nc2ccnc3[nH]ccc23)CC1	1
COC(=O)n1c(=O)oc2ccc(Cl)cc21	0
Cc1cc(C[NH3+])nn1C	1
C[NH2+]C[C@@H](O)COc1ccc(Cl)c(C)c1	1
CN(C)c1ccc(/C=C2\C(=O)ON=C2c2cccc3ccccc23)cc1	0
[NH3+]C[C@@H]1CN(Cc2ccccc2)CCO1	1
C[N@@H+](CCOC(=O)c1cccs1)Cc1ccccc1	1
Cc1ccc(C2=NCCCC2)cn1	0
C[N+](C)(C)CCc1ccc(O)cc1	1
CCC(=O)Nc1ccc2[nH]cc(C3CC[NH+](C)CC3)c2n1	1
Cc1cccn2c1nc(=S)n2C(=O)c1ccc(F)cc1	0
Cn1c2ccccc2n2c(=S)[n-]nc12	-1
CC(C)N(C(=O)Cn1ccc(=[NH2+])c2ccccc21)C(C)C	1
[NH2+]=c1ccn(CC(=O)N2CCCc3ccccc32)c2ccccc12	1
[NH3+]C[C@@H](Cc1ccccc1F)c1ccccc1	1
C[N+](C)(C)C[C@H](O)CSc1nnnn1-c1ccccc1	1
CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	1
COc1cc2c(cc1OC)C(=O)[C@@H](CC1CC[NH+](Cc3ccccc3)CC1)C2	1
CC1(C)OC(=O)N(c2cccnc2)[C@@]1(C)O	0
O[C@H](COc1ccccc1)C[NH+]1CCCC1	1
CC(C)c1ccc2c(c1)c1c3c(cncn32)CCC1	0
Cc1nn(C)c(C)c1/C=C/C(=O)C(C)(C)C	0
O=C(CSC1=[NH+]CCN1)[C@H]1COc2ccccc2O1	1
COc1cc(CC[NH3+])c([N+](=O)[O-])cc1OC	1
[NH2+]=C1c2c(sc3c2CCCC3)N[C@@H]2CCCCCN12	1
CCCN1CCC([N@@H+](C)C[C@@H](O)c2ccccc2)CC1	1
O=C(c1ccccc1-c1ccccc1)N1CCN(c2ccccn2)CC1	0
CC(=NNC1=[NH+]CCN1Cc1ccccc1)c1ccccc1	1
O=C(Cn1nc(-c2ccccc2)ccc1=O)NCC[NH+]1CCCC1	1
CCOC(=O)c1c(C)n(C)c2ccc(O)cc12	0
O=C(CN1CCCC1=O)N1CCN(c2cccc(Cl)c2)CC1	0
[NH3+]Cc1ccc2sccc2c1	1
O=C([C@@H]1CCC[NH2+]1)N1CCN(C(c2ccccc2)c2ccccc2)CC1	1
CSc1cccc2cccnc12	0
O=C(c1ccc([N+](=O)[O-])o1)N1CCN(c2cccc(Cl)c2)CC1	0
CCN(CC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1	1
C[N@H+]1[C@H]2CC[C@@H]1CC(O)(c1ccccc1)C2	1
COc1ccc(C(=O)OCC[N+]2(C)CCOCC2)cc1	1
COc1ccc(CC(=O)N2N=C(C)C[C@]2(O)c2ccncc2)cc1	0
Nc1ncnc2[nH]c(N3CCCCC3)nc12	0
Cn1c(C(C)(C)C)[n+](C)c2ccccc21	1
O=[S@@]1CCCS[C@@H]1c1cccnc1	0
NC(=O)NCc1cccc(Cl)c1	0
O=c1cc(N2CCOCC2)oc2ccccc12	0
CCOc1ccc(Cn2ccnc2)cc1[N+](=O)[O-]	0
COc1ccccc1NC(=O)[C@H]1CCc2[nH]cnc2C1	0
COc1cccc(C(=O)N2CC[NH+](C3CCCC3)CC2)c1	1
CC1(C)N=C(Nc2ccc(F)cc2)NC(=[NH2+])N1	1
COc1cc(C)[n+](C)c(C)c1	1
C[C@H]1CCC[C@@H](C)[N@H+]1C[C@@H](O)COc1ccc(N)cc1	1
COc1ccc(C2=N[n+]3c(n(C)c4ccccc43)SC2)cc1	1
CCN1C(=O)/C(=C/c2ccc(C)o2)C(=O)[N-]C1=S	-1
O=C1c2cc3c(cc2O[C@H]2CCCN12)OCCO3	0
CNC(=O)C1C(C)(C)C1(C)C	0
Cc1ccc(Cn2cnc([N+](=O)[O-])n2)cc1	0
C[C@H](Cc1ccccc1)[NH2+]CCn1cnc2c1c(=O)n(C)c(=O)n2C	1
CCOC(=O)N1CCC([NH2+]C2c3ccccc3-c3ccccc32)CC1	1
Nc1nc(N)nc(-c2ccccc2Cl)n1	0
NC(=O)c1ccc[n+](C[C@@H](O)COc2ccccc2)c1	1
CC(=O)Nc1ccc(OCC[n+]2ccccc2)cc1	1
[NH2+]=C1N[C@@H](C(=O)c2ccccc2)[C@@H](c2ccccc2)N1	1
Cc1cc[n+](C[C@@H](O)COc2ccccc2)cc1	1
Cc1ccc(C(=O)C2CC[NH2+]CC2)cc1	1
C[C@H]1CC(O)(C(=O)[O-])C[C@@H](C)[N@H+]1C	0
CCOC(=O)N1CCC([N@@H+](CC)Cc2ccccc2)CC1	1
COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)C1	0
COC(=O)c1ccc(OC(=O)CSc2ccccc2[N+](=O)[O-])cc1	0
Cn1c2ccccc2n2cc(-c3ccccc3)nc12	0
Fc1ccc(Sc2ccccc2CNC2=[NH+]CCN2)cc1	1
CC1(C)CC(=O)C=C(Nc2ccc(OCC(F)(F)C(F)F)cc2)C1	0
COc1ccc(Br)cc1CSc1ccccc1C1=[NH+]CCCN1	1
C[NH+](C)CCNC(=O)c1cccc(Cl)c1	1
COc1ccccc1OC[C@H](O)C[NH2+]C(C)C	1
Nc1nc(-c2ccc(F)cc2F)cs1	0
COc1ccc(C=O)cc1Cn1nc(C)c([N+](=O)[O-])c1C	0
CCCS(=O)(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1	0
Clc1ccc([C@@H](Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1	0
Nc1ccccc1/C=N/O	0
Cc1cc(C)n(-c2ccc(C(=O)[O-])cc2)n1	-1
COc1ccc2oc(C(=O)c3ccccc3)c(N)c2c1	0
CC(C)Cc1nc(N2CC[NH2+]CC2)c(C#N)c2c1CCC2	1
COc1cc2c(cc1OC)[C@@H](C)[N@@H+](CCC(N)=O)CC2	1
Cc1nccn1S(=O)(=O)c1cc(Cl)ccc1Cl	0
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CC1CC[NH2+]CC1	1
C[C@H]1CCC[C@H](O)[C@@H]1C	0
CN1CCCc2c1[nH+]c1c(c2N)CCCC1	1
Cc1ccc(O)c([C@@H](CC(=O)N2CC[NH2+]CC2)c2ccccc2)c1	1
C[N+]1(C[C@@H]2CCCCC2=O)CCOCC1	1
O=C1CSc2nc3ccccc3n21	0
COc1ccc(C2(O)C(=O)c3ccccc3C2=O)cc1	0
COc1cc(N)nc(N)[nH+]1	1
Cc1ccc(S(=O)(=O)NCCC(=O)N2CCCCC2)cc1	0
CCC(=O)Nc1nnc(CSCc2ccccc2)s1	0
Cc1c(C(N)=O)sc2ncn(CC(=O)OC3CCCCC3)c(=O)c12	0
Cc1c[nH]c(=S)c(C#N)c1	0
CN(C(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1c2ccccc2C[C@H]1[NH+]1CCCC1	1
c1ccc(C[C@@H]2[NH2+]CCn3cccc32)cc1	1
[NH3+][C@@H](CO)[C@@H](O)c1ccccc1	1
CS(=O)(=O)c1nc2ccccc2s1	0
Cn1c(=S)sc2ccccc21	0
O=C1NC(=S)NC1=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	0
COc1ccc(-c2noc([C@@H]3CCC[NH2+]3)n2)cc1	1
Cc1ccc2nc(C)cc(C)[n+]2c1	1
CN(C)c1nc(N(C)C)[nH+]c(N(C)C)n1	1
NC(=[NH2+])c1cccs1	1
C=CC[C@H]1CCCCC(N)=[NH+]1	1
Cc1cc(=O)n2cccc(O)c2n1	0
COc1ccc(-c2c(C)nn(C)c2N)cc1OC	0
CCOC(=O)c1ccc(/N=C/c2ccc(Br)cc2)cc1	0
O[C@@H](CSc1cccs1)C[NH+]1CCCC1	1
CCc1cc2c(o1)CN(C)CC2	0
CC[NH+](CC)C[C@@H](O)CSc1cccs1	1
C[NH+](C)CC[C@@](C)(O)Cc1ccccc1	1
Cc1onc(-c2ccccc2)c1C(=O)N1CC[NH2+]CC1	1
Cc1onc(-c2ccccc2)c1C[NH3+]	1
Cc1cc(N2CCOCC2)c2ccccc2[nH+]1	1
CCOC(=O)C1CC[NH+]([C@@H](C)CCc2ccc(O)cc2)CC1	1
C=C1C(=O)Nc2ccccc21	0
CC(=O)N1CCC(O)(C[NH3+])CC1	1
c1cc2c(cc1N1CCCC1)CCN2	0
Cc1cc(=O)c2ccccc2o1	0
CN(C)C(=S)Nc1ccccc1F	0
Fc1ccccc1NC(=S)N1CCOCC1	0
Cc1cccc(OC[C@H](O)C[NH2+]C(C)(C)C)c1C	1
COc1ccc2c(c1)N1C(=O)C[C@H](C)[C@H]3C4(C[C@]2(C)[C@]31C)OCCO4	0
NC1=NC(=O)[C@H](c2ccccc2)O1	0
CC(C)(C)C1CCC(C[NH3+])(CC(=O)[O-])CC1	0
C[NH+](C)C[C@@H]1CSCCC1=O	1
COCc1cc(C)nc(SCC(=O)c2ccc(O)c(O)c2)c1C#N	0
O=c1[nH]c2ccccc2n1C1=CC[NH2+]CC1	1
c1cc2c(cc1CC1=[NH+]CCN1)OCO2	1
CCS(=O)(=O)c1ccc(F)cc1	0
CCc1nsc([C@H]2C[NH+]3CCC2CC3)n1	1
Nc1ncc(Cc2ccccc2)s1	0
Cc1ccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)O2)cc1[N+](=O)[O-]	0
C[NH+](C)Cc1ccc(CO)o1	1
COc1ccc(CCNC(=O)c2cccc(Cl)c2)cc1OC	0
N=c1ccc2ccccc2n1N	0
Cc1nc(-c2ccccn2)nc(SCc2ccccc2)c1Cl	0
COc1ccc2c(c1)cc1n2CCNC1=[NH2+]	1
C[NH2+][C@H](c1cccc(O)c1)C(C)(C)C(=O)NCc1cccc2ccccc12	1
COc1ccc(Cl)cc1C(=O)N1CCN(c2ccccc2)CC1	0
COc1ccc2c(c1)cc1n2CCN2CCC[NH+]=C12	1
O=C(Oc1ccccc1Cl)C(c1ccccc1)c1ccccc1	0
Nc1cc([N+](=O)[O-])ccc1F	0
COc1ccc(-c2[nH+]c3ccccn3c2NCCc2ccccc2)cc1	1
CCOc1ccccc1/C=C1\C(=O)NN(c2ccccc2)C1=O	0
O=C(Nc1nccs1)c1ccc([N+](=O)[O-])cc1Cl	0
O[C@@]1(C[n+]2ccccc2)NCCc2ccccc21	1
Cc1cc(C)c(C=O)c(O)c1	0
CN(C)S(=O)(=O)N1CCN(c2ccccc2)CC1	0
Cc1cccc2[nH+]c(-c3ccc(N(C)C)cc3)c(NCCC(C)C)n12	1
CC(C)NC(=O)OCc1cnc2c(c1)C(=O)c1cccnc1C2=O	0
CC(C)(C)CC(=O)[n+]1ccccc1	1
C/C(=N/O)c1c2c(c(O)c3c1OCO3)C[N@@H+](C)CC2	1
Clc1ccc2nccnc2c1	0
COc1cc(Br)c(CC[NH3+])cc1OC	1
COc1cccc(C(=O)N(C)c2ccccc2)c1	0
O=C(Nc1ccccc1F)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	0
N#Cc1sc2nc3ccccc3n2c1/[NH+]=C/N1CCOCC1	1
Cc1nc(C)c(Cl)c(N)n1	0
O=C1CS[C@@H](c2ccccc2)N1	0
O=c1cc(CO)oc([C@@H](Nc2ncccn2)c2ccc(F)cc2)c1O	0
[NH3+]CC(=O)NCCC(c1ccccc1)c1ccccc1	1
COc1ccc(-c2nnc(NC(=O)[C@H]3CCC[NH2+]3)s2)cc1	1
COc1ccc(CCNC(=O)CN2CCC(C)CC2)cc1OC	0
COc1c(Cl)cnc(Cl)c1N	0
Oc1ccc(Cl)cc1	0
C[N@H+]1CC[C@]23c4c5ccc(O)c4O[C@@H]2C(=O)CC[C@]3(O)[C@H]1C5	1
Cc1ncc([N+](=O)[O-])n1CCc1ccncc1	0
COc1ccc2[nH]cc(CCNC(N)=[NH2+])c2c1	1
CN(C1CCCCC1)S(=O)(=O)c1ccccc1	0
O=C(N[C@@H](Sc1ccc(Cl)cc1)C(=O)c1ccccc1)c1ccco1	0
COc1ccc(C)cc1NS(=O)(=O)Cc1ccccc1	0
CC(=O)NC[C@@H]1OCCc2ccccc21	0
CCOc1ccccc1C(=O)N(CC#N)CC#N	0
CN1N=[O+]C(=O)C1c1ccccc1	1
CC[NH+](CC)c1ccc(Nc2[nH]c(=O)nnc2C)cc1	1
CCc1ccc(NC(=O)c2cccs2)cc1	0
Cc1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)s2)cs1	0
CCOC(=O)CC[NH+]1CCC1	1
CCOC(=O)c1ccc(NC(=O)COc2ccccc2C)cc1	0
CC[N+](C)(C)CC/C=C1/c2ccccc2S[C@@H]2C=CC(Cl)=C[C@H]12	1
Cc1nc(Br)c[nH]1	0
NC(=[NH2+])NCc1nn(Cc2ccccc2)c(=O)c2ccccc12	1
Cc1nc2ccccn2c(=O)c1CC[N@H+]1CCc2sc3ccccc3c2C1	1
Cc1nc(-c2ccccc2)cc(NN)[nH+]1	1
[NH3+]Cc1cc2c(cc1-n1cccc1)OCO2	1
CCOc1cc2c(cc1OCC)[C@H](c1ccc(Cl)cc1)OC(=O)C2	0
CCOC(=O)c1c(C)cc(C)[nH]c1=S	0
Nc1nnc(-c2ccccc2F)s1	0
N#Cc1cc(-c2ccccc2)oc1N	0
C[C@@H]1C[NH+]=C(NC2CCCCC2)S1	1
CCOC(=O)c1ccc[n+](CCON2C(=O)c3ccccc3C2=O)c1	1
Cc1ccc(C(N)=[NH2+])cc1F	1
Cc1[nH]c2ccc(OC(F)(F)Cl)cc2c1CC[NH3+]	1
[NH3+]Cc1ccc(-n2cccn2)cc1	1
Cn1c[n+](Cc2ccccc2)cn1	1
CC[NH+](CC)CC(=O)NCC1(c2ccccc2)CCOCC1	1
C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1	1
C[n+]1cc(N)cc2ccccc21	1
CC(=O)Oc1cccccc1=O	0
CC1(C)C[C@@H](C[NH3+])C(C)(C)N1O	1
c1nc(CC2CC[NH2+]CC2)c[nH]1	1
CCOC(=O)c1ccc2c(c1)[n+](CCO)c(C)n2CCO	1
COC(=O)[C@@H]1CSC[C@@H]1[NH3+]	1
O=S1(=O)N=C(N2CC[NH2+]CC2)c2ccccc21	1
c1ccc2c3c([nH]c2c1)C1(CCCCC1)[NH2+]CC3	1
Cc1ccc(C)[n+](CNC(=O)c2ccc(Cl)cc2Cl)c1	1
O=[N+]([O-])c1cccnc1Sc1ccccc1C1=[NH+]CCCN1	1
O=C1C=C(NCc2ccccc2)CC1	0
COC(=O)[C@@H]1SCC[C@H]1[NH3+]	1
O=C1/C(=C\c2ccco2)N2CCC1CC2	0
CCOC(=O)c1c(SC)nc2c(C(F)(F)F)cccc2c1Cl	0
COC(=O)C1=C(C)NC(=O)C[C@@H]1c1cc(Br)ccc1F	0
COc1ccc(/C=C/C(=O)O[C@@H]2C[NH+]3CCC2CC3)cc1	1
O=C1CSCc2ccccc21	0
O=C(CC[N@H+]1CC[C@@H](c2ccccc2)C1)c1ccco1	1
Nc1ccc(Sc2ccccc2)nc1	0
Cc1noc(-c2ccccc2)c1NC(=O)Nc1ccc2sccc2c1	0
CC1(C)[NH2+][C@@H](C(=O)[O-])C(C)(C)S1	0
Cc1cc(C)n(N)c(=O)c1C#N	0
C[NH+]1CCN(c2cc(C(F)(F)F)nc3ccc(F)cc23)CC1	1
c1ccc2c(SC3=[NH+]CCN3)c[nH]c2c1	1
COc1ccc2[nH]cc(C[NH+](C)C)c2c1	1
C[n+]1cccc2cc(O)ccc21	1
C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1	1
COC(=O)CC1CC(C)(C)[NH2+]C(C)(C)C1	1
O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cccs1	0
COc1cc(OC)c(C(=O)CCC[NH+]2CCCC2)c(OC)c1	1
Cc1nc(-c2ccc(S(=O)(=O)NCC[NH+](C)C)s2)cs1	1
O=C(Nc1ccncc1)NN1CC=CCC1	0
COc1ccc2c(c1)c(C(=O)CNC1=[NH+]CCS1)c(C)n2C	1
CC(C)OC(=O)c1ccc(N)cc1	0
COC(=O)Nc1ccc(Cl)cn1	0
Cc1cccc(Cl)c1NC(=O)C[NH3+]	1
COc1ccc(/C=C/C(=O)N2CCCC2=O)cc1OC	0
O=C1CC[NH2+][C@@H]2CCCC[C@@H]12	1
Cc1ccc2[nH]c3c(c2c1)CC[C@@H](C[NH+](C)C)C3=O	1
O=[N+]([O-])c1ccccc1CN1CCC([NH+]2CCCCC2)CC1	1
CC1=CC(=O)c2ccccc2C1=O	0
CN1C[C@@]2(C)c3ccccc3N(C)[C@@]2(O)C1=O	0
CC[NH+](CC)CCn1c2ccccc2n2nc(C)c(C(C)=O)c12	1
O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)Nc1ccccc1	0
CCOc1ccc([N+]2=C3CCCCCN3[C@](O)(c3ccc(F)cc3)C2)cc1	1
CNC(=O)N(C1=NC[C@@H](C)S1)c1ccc(C)cc1	0
CN(C)C(=S)NCc1cccnc1	0
Nc1nc(N2CCCCC2)nc(N2CCCCC2)[nH+]1	1
C[C@H](O)CN1CCN(CC[NH+](C[C@H](C)O)C[C@H](C)O)CC1	1
CN1C(=O)OC2(CC(C)(C)[NH2+]C(C)(C)C2)[C@@]1(C)O	1
Cc1cc[n+](CCC(N)=O)cc1	1
CC1(C)CC(NC(=O)c2ccc(-n3cnnn3)cc2)CC(C)(C)[NH2+]1	1
Cc1cc(OCC(=O)n2cnc3ccccc32)ccc1[N+](=O)[O-]	0
CN(C(=O)c1ccco1)C1CC(C)(C)[NH2+]C(C)(C)C1	1
C[N@H+]1CCc2cc(O)c(O)cc2[C@@H]1Cc1ccc(O)c(O)c1	1
C=CCc1ccc(OCC(=O)Nc2ccccc2Br)cc1	0
Oc1ccc(N2CC[NH2+]CC2)cc1	1
CC(C)Oc1ccccc1C=C1C(=O)NC(=S)NC1=O	0
COc1ccc(C(=O)N2CC[NH+](CCCc3ccccc3)CC2)cc1	1
C[C@@]1(F)CNCCN(C(=O)C[NH3+])C1	1
COc1ccc(Cc2c(Cl)nc[nH+]c2NN)cc1	1
Cc1ccc2ncnc(N3CCCCCC3)c2c1	0
O=Cc1ccc(S(=O)(=O)c2ccccc2)o1	0
C=CCC(=O)n1c(=O)sc2ccccc21	0
COc1ccc(CCNC(=O)N2CCOCC2)cc1OC	0
Cc1ccccc1CNc1nccc2ccccc12	0
Cc1ccc(C(=O)ON=C2CC[NH+](C)CC2)cc1	1
CC(C)(C)[NH2+]C[C@@H](O)COc1ccccc1	1
[O-][n+]1cc(Cl)cc(Cl)c1N1CC[NH2+]CC1	1
CSc1nc(-c2ccc([N+](=O)[O-])cc2)nn1C(C)=O	0
C[C@@H]1CCCN(C(=O)c2nc[nH]n2)C1	0
N#C/C(=C\c1c(Cl)cccc1Cl)C(N)=S	0
O=c1oc2ccccc2cc1[N+](=O)[O-]	0
C=C[C@@H](C)n1c(Br)nc2c1c(=O)[nH]c(=O)n2C	0
C[N+]1=C2[C@H](O)CCN2Cc2ccccc21	1
CC1(C)OC(=O)c2ccccc21	0
CC[n+]1ccn(C)c1	1
Cc1ccc(NN=C(C#N)C(N)=S)cc1	0
O=C(CNC(=O)c1ccccc1)OCc1ccc(Br)cc1	0
COc1ccc2[nH]cc(C3CC[NH+](C)CC3)c2n1	1
C=C(C)CSc1nc2ccccc2c(=O)n1-c1ccc(OC)cc1	0
COc1ccc(Br)c(C(N)=O)c1	0
Cc1c[n+](C)c(C)cc1Nc1ccccc1	1
COC(=O)c1ccc(=O)n(CC[NH+](C)C)c1	1
N=C(NC(N)=[NH2+])Nc1ccc(F)c(Cl)c1	1
O=C(NCC[NH+]1CCCC1)c1ccccc1Br	1
Cc1c[n+]2ccccc2n1N	1
CC[C@H]([NH3+])[C@@H]1CCCCNC1=O	1
Cc1cc(C)c2c(=O)c(C#N)coc2c1	0
COc1ccc(Nc2nc(N3CC[NH2+]CC3)nc3ccccc23)cc1	1
O=C(OC[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1	1
Cc1cc(C)n(N)c(=O)c1	0
Cc1cccc2c1C(=O)N(C)[C@]21CC(=O)NC1=O	0
Cc1nc(C#N)c(N2CCOCC2)o1	0
O=CNc1ccccc1Oc1ccccc1	0
COc1ccc(-c2cc(-c3ccccc3)nc(NN)[nH+]2)cc1OC	1
COc1cncc(N2CCC[NH2+]CC2)c1	1
Oc1cc(Cl)c(Cl)cc1O	0
c1ccc2ncc(N3CCC[NH2+]CC3)cc2c1	1
Cc1ccc2[nH]c(=O)oc2c1	0
CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OCC)NC(=O)N1C	0
O=C(N[C@@H](C(=O)c1ccccc1)n1ccc(=O)[nH]c1=O)c1ccccc1	0
Cc1ccc(O)c(Br)c1	0
CC(=O)Cn1cc(Cl)c(=O)c(Cl)c1	0
C[NH+](C)CCNC(=O)NC1(C(F)(F)F)Oc2ccccc2O1	1
Cc1ccccc1NC(=O)N1CCNC1=O	0
C=CC[N@H+]1CCc2nc(N)sc2CC1	1
Cc1nn(Cc2ccccc2F)c(C)[n+]1N	1
CC[n+]1cc2cc(OC)c(OC)cc2c2c1-c1cc3c(cc1C2)OCO3	1
COc1ccccc1C=C(C#N)C#N	0
CN(C)c1ccc([C@@H](c2cc3c(cc2O)OCO3)[NH+]2CCCC2)cc1	1
COc1ccc(O)c(Cc2[nH+]ccn2C)c1	1
C[NH+]1CCC(OC(=O)c2ccccc2F)CC1	1
Nc1ccc(F)c(F)c1	0
Cc1nc2c(-c3ccc(Cl)cc3)c(C)nn2c(N)c1-c1ccccc1	0
C=C=C(C[NH3+])c1cccs1	1
Cc1cc(C)[n+]2cnn(N)c2n1	1
C/C(=[NH+]/NC(N)=S)c1ccc(N)cc1	1
CCn1c(=O)[nH]c2cc(Cl)c(Cl)cc21	0
OCC1=C(c2csc3ccccc23)N2CCN=C2S1	0
CNC(=S)Nc1ccc(C)c(C#N)c1	0
Cc1cc(C)cc(OC[C@H]2CNC(=O)O2)c1	0
COC(=O)C12CC[NH+](CC1)C2	1
CCN(CC)C(=O)C1CC[NH+](Cc2cccc(OC)c2)CC1	1
NC(=O)CCS(=O)(=O)CC[NH+]1CCCC1	1
Cc1[nH][nH]c(=O)c1[C@@H](c1ccccc1)C(C#N)C#N	0
COc1cccc(CNc2[nH+]c3ccccc3n2C)c1O	1
COc1cc(C[NH2+]C(C)(C)C)ccc1OCC(=O)NC(C)(C)C	1
Cc1cc(-c2ccccc2)nc2cc(C(=O)NC[C@@H]3CCCO3)nn12	0
O=C(/C=C/c1cccnc1)NCCc1cccc(O)c1	0
CC[C@@H]([NH3+])C1(O)Cc2ccccc2C1	1
C[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(C)CC1	1
O=S(=O)(c1ccc(C2=CSC3=NCCN23)cc1)N1CCCCC1	0
CCC(=O)Nc1ccsc1C(=O)OC	0
OCCc1ccc(O)c(-n2nc3ccccc3n2)c1	0
CCCc1c(O)n2c3cc(C)ccc3nc(N(C)C)n2c1=O	0
Cc1ccc(N2C(=O)CCC2=O)cc1	0
CN(C)C(=S)c1ccccc1	0
NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1	0
CCOC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1	1
CN1C(=O)Cc2cnc(N3CCCCC3)nc21	0
C[N@H+]1CCC[C@@H]1c1ccc(N)nc1	1
C=CCn1c(N)cc(=O)n(CC)c1=O	0
CN1C(=O)C[C@H]([NH2+]Cc2ccc3c(c2)OCO3)C1=O	1
C=C(C)Cn1c(N)cc(=O)n(C)c1=O	0
COc1cc2[nH+]ccc(N)c2cc1OC	1
CC1(C)C(=CNN)[N+](=O)C(C)(C)N1O	1
CCC[N@H+]1CC[C@@H]2c3cc(O)ccc3CC[C@@H]21	1
CC1(C)CC[C@]2(C)CCC(C)(C)[NH+]=C2N1	1
NS(=O)(=O)c1ccc(CC[NH3+])cc1	1
[NH3+]C[C@@H](O)c1ccc(O)c(O)c1	1
Clc1cncc(OC[C@H]2CC[NH2+]2)c1	1
[NH3+][C@H](Cc1ccccc1)C(=O)Nc1ccccc1	1
CC(C)(C)NC(=O)c1ccc(F)cc1F	0
N#Cc1ccc(-c2ccc(OC[C@@H](O)C[NH+]3CCCCC3)cc2)cc1	1
COc1ccc(/C=C2\[C@@H](O)C3CC[NH+]2CC3)cc1	1
Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1Br	0
CC1(C)CC(NC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)CC(C)(C)[NH2+]1	1
CN1C(=O)[C@H]2[C@@H]([NH+]=C(NCCN3CCOCC3)N2C)N(C)C1=O	1
N#Cc1cnc(N)nc1-c1ccccc1	0
Cc1ncsc1[C@H](O)c1ccco1	0
C[C@@H]1C[N@@H+](CCc2ccccc2)CCC1=O	1
O=C(CN1C(=O)COc2ccccc21)NCC[NH+]1CCCC1	1
Cc1cn(CCN2C(=O)CS[C@@H]2CO)c(=O)[nH]c1=O	0
CC(C)(C)c1ccc(CC[C@@H]2OC[C@@H](C[N+]3(C)CCOCC3)O2)cc1	1
COc1cc(CC[NH3+])cc2c1OCO2	1
COC(=O)CC[NH+]1C=CC(C)(C)C=C1	1
CCC[NH+]1CCC(N2CCC(O)CC2)CC1	1
Nc1nc2c3c(ccc2s1)CCCC3	0
COc1c(C)cnc(CSc2nc3c(C)ccnc3[nH]2)c1C	0
O=C(Nc1ccccc1)c1ccc[n+](Cc2ccc([N+](=O)[O-])cc2)c1	1
COc1ccc(NC(=O)C2C(c3ccccc3)=C2c2ccccc2)cc1	0
CCOc1ccc2cc(-c3ccc(Br)cc3)c(=O)oc2c1	0
COc1ccc(N)cc1Cl	0
COc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1O	0
O=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1ccc(O)cc1	0
COc1ccc2c(c1)SCC(=[NH2+])N2	1
CC1(C)CC(NCc2ccccc2)CC(C)(C)[NH2+]1	1
O=C1NCC2(CC[NH+](CCc3ccccc3)CC2)O1	1
O=C([O-])c1[nH]c(=O)[nH]c(=O)c1C[NH+]1CCCCC1	0
COc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c1	0
COc1c2c(cc3c1[C@@H](c1ccc(O)cc1O)[N@H+](C)CC3)OCO2	1
CC1OC[C@@H]2[C@@H](CO1)C2(Cl)Cl	0
COc1cc(NC(=O)c2ccccc2)c2ncccc2c1	0
S=C1N=NC(c2ccco2)N1N=Cc1c[nH]c2ccccc12	0
O=[N+]([O-])c1ccccc1C[N+]12CCC(CC1)[C@@H](O)C2	1
C[N+]12CCC(CC1)[C@@](C#N)(N1CCOCC1)C2	1
C[N+](C)(C)CCOc1ccc([N+](=O)[O-])cc1	1
CC1=CC[C@H](C(C)(C)O)CC1=O	0
C[NH+](C)[C@H]1CCc2[nH]c3c(F)cc(F)cc3c2C1	1
C[NH2+]C[C@@H](OC)c1cccc(C(F)(F)F)c1	1
CN1CC[C@@](O)(c2ccc(F)cc2)[C@H](C(=O)c2ccc(F)cc2)C1	0
O=C(Nc1ccncc1)OC[C@@H]1CCCO1	0
C[N+]1(C[C@@H]2COC3(CCCC3)O2)CCCC1	1
COc1ccc(Nc2[nH]cc[nH+]2)c(C)c1	1
O=C(CN1CC[n+]2cc(-c3ccccc3)sc21)c1ccccc1	1
Cc1c(C#N)c2ccccc2n1CC(=O)NCc1ccc2c(c1)OCO2	0
CC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	1
C(=C1\C[NH+]2CCC1CC2)\c1cccnc1	1
COc1ccc(CC(=O)N(C)C)cc1	0
C[N+]12CCC(CC1)[C@@H](O)C2	1
CN1CCN(c2oc(Cc3cccc4ccccc34)nc2C#N)CC1	0
Nc1cc(N)[nH+]c(SCC(=O)N2CCCCC2)n1	1
NS(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1	0
C[C@@H](OC(=O)c1cccc(Cl)c1)c1ccc[n+](C)c1	1
CCOc1ccccc1C(=O)Nc1ccc(Cl)cn1	0
Cc1cc(C)c(-n2nnnc2SCC(=O)c2cccs2)c(C)c1	0
CC(C)(CO)[NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21	1
COc1ccc(OC)c2c1CC[C@@]1(C[NH+]=CN1)C2	1
COc1ccc(NC(=S)N2CCC[N@H+](C(C)C)C2)cc1Cl	1
Cc1ccnc([C@@H]([NH3+])c2ccccc2)c1	1
C=Cc1c[nH]c(=O)[nH]c1=O	0
Cc1cc(=O)cc(C)n1C	0
N#Cc1c(C(F)(F)F)cc(-c2cccs2)oc1=S	0
CC#Cc1c[nH]c(=O)[nH]c1=O	0
CC(C)(O)C#Cc1ccccc1	0
[NH3+]CCc1ccc(S(=O)(=O)N2CCOCC2)cc1	1
COc1ccc(N)cc1C(F)(F)F	0
C[C@@H](Oc1ccccc1)C(=O)N1CCCc2ccccc21	0
CC(C)Oc1ccccc1N1CCN(Cc2cccc([C@H](O)c3ccccc3)c2)CC1	0
COc1ccc(/C=N/c2ccc(OC(F)(F)F)cc2)cc1OC	0
O=C(N[C@@H](CO)c1ccccc1)c1cc2ccc1CCc1ccc(cc1)CC2	0
N=C(NC(N)=[NH2+])N1N=CC[C@@H]1c1ccccc1	1
COc1ccccc1N1CC[NH+](CCc2ccc3[nH]c(=O)sc3c2)CC1	1
CC(C)(O)C#C[C@@H](O)c1ccccc1F	0
C[C@@H](C(=O)NCc1ccco1)N(c1ccccc1)S(C)(=O)=O	0
O=C(COc1ccc2c3c(c(=O)oc2c1)CCCCC3)c1ccccc1	0
COc1ccc(Cl)cc1N	0
CCc1nn2c(=O)cc(N3CC[NH2+]CC3)nc2s1	1
C[N+]1([C@@H]2CC[C@H]3CC[C@@H]2[C@@H]3O)CCCC1	1
CCc1nccn1S(=O)(=O)c1cc(Cl)ccc1Br	0
O=S1(=O)N=CNc2ccccc21	0
COc1cc(/C=C(/C)[N+](=O)[O-])ccc1OCc1ccccc1Cl	0
O=C1CC[C@@H]2C(=O)CC[C@H]12	0
Cc1cccc(C)c1-n1ccnc1	0
Cc1ccc(NC(=O)/C=C/C(N)=O)cc1	0
OC[C@@H]1CCC[N@@H+](Cc2ccc(Br)o2)C1	1
CC(C)(O)C#Cc1ccc(CO)cc1	0
c1csc(N2CC[N+]3(CCCC3)CC2)n1	1
C=CC[N+]1(CC#Cc2ccccc2)CCOCC1	1
O=C1CS[C@@H](c2ccccc2F)N1CC[NH+]1CCCCC1	1
Cc1ccc(NS(=O)(=O)N(C)C)cc1	0
C[NH+]1CCC(=NOC(=O)Nc2ccccc2)CC1	1
C[NH+](C)C[C@@H](O)COc1ccccc1CCc1ccccc1	1
c1cc[n+]2c3c(cnc2c1)CCCC3	1
Cn1cc(I)c(C#N)n1	0
O=[N+]([O-])c1ccc2cnncc2c1	0
COc1ccc(Br)c(C(=O)Nc2c(F)cccc2F)c1	0
Cc1cc[nH+]c(NC[C@H](O)COc2ccc(Cl)cc2)c1	1
COC(=O)c1ccc(C[NH+](C)C)o1	1
CCn1c(N)[n+](CC(=O)c2ccc(C)cc2)c2ccccc21	1
Cc1cc(C)cc(NC(=O)N(C)C)c1	0
Cc1ncc(Cn2c(C)c(CCO)sc2=O)c(N)n1	0
COc1ccc(C=O)c(Br)c1O	0
Cn1cnc2c1c(=O)[nH]c(=O)n2C	0
Cc1ccccc1C(=O)n1cnc(N)n1	0
Cc1cc(N)ccc1-c1ccc(N)cc1C	0
CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@](C)(CC[N+](C)(C)C)O2	1
O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)CCO2	1
O=C(NC(=S)Nc1cccc2nsnc12)c1ccccc1Cl	0
Cc1ccc2c(N)cccc2n1	0
CC(C)Nc1nc(N2CCCC2)nc(N2CCCC2)[nH+]1	1
CCC1=NN(C(=O)c2cccnc2)[C@@](O)(c2ccc(OC)cc2)C1	0
C[NH+](C)Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1	1
Cc1cc(C)c2[nH]c(C)c(CC[NH3+])c2c1	1
N#Cc1c(N)sc2c1CC[N@H+](CCc1ccccc1)C2	1
Cc1[nH]c2c(C)ccc(C)c2c1CC[NH3+]	1
C[C@@H](c1ccccc1)[NH+]1CCC(O)CC1	1
C=CC[n+]1cnn(CC(=O)c2ccc(Cl)cc2Cl)c1	1
NC(=O)c1ccc(-n2nnnc2SCc2ccc(Cl)cc2)cc1	0
Cc1ccsc1/C=N/c1ccc(Cl)cc1C(=O)c1ccccc1	0
CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1	0
O=C(CCn1c(=O)oc2ccccc21)NCC[NH+]1CCCCC1	1
CC1CCC([N@H+]2CCC[C@@H](O)C2)CC1	1
Cc1ccc(C#N)n1C	0
NC(=O)C1=CCc2ccccc21	0
CCOC(=O)N1N=C(C)C[C@@]1(O)c1ccccc1	0
Cc1cc(-n2cc[nH+]c2C)n2c(nc3ccccc32)c1C#N	1
Cc1c(NC(=O)OCC[NH+](C)C)sc(=S)n1C	1
Cc1ccc([C@@H](O)CN2C3=[NH+]CCCN3c3ccccc32)cc1	1
CC(C)c1ccc(Nc2nc(Cl)nc(N3CCCCC3)n2)cc1	0
C[NH2+]Cc1ccccc1[C@H](O)c1ccc(F)cc1	1
Cc1nn(CC(=O)[O-])cc1Br	-1
Cc1ccc(-c2cc(C(F)F)nc(N(C)Cc3ccccc3)n2)cc1	0
NC(=S)N/N=C/C(Cl)=C/c1ccc([N+](=O)[O-])cc1	0
COc1ccc([C@@H](C)[NH3+])cc1	1
C=CCN1C(=O)N[C@@]2(O)C(=O)c3ccccc3[C@@]12O	0
C[NH+](C)CCO[C@@H](c1ccc(Cl)cc1)c1ccccn1	1
C#C[C@H](OC(N)=O)c1ccccc1	0
CC(C)OC(=O)c1cc2c(OC[C@H](O)C[NH2+]C(C)(C)C)cccc2[nH]1	1
O=C(N[C@@H](Nc1ncccn1)C(Cl)(Cl)Cl)c1ccccc1	0
CC(C)(C)[NH2+]C[C@@H](O)COc1cccc2c1CCC(=O)N2	1
[O-]/N=C/c1c[nH]c(-c2ccccc2)[nH+]1	0
CC1(C)Cc2c([nH]c3nc[nH+]c(N)c23)CO1	1
COc1cc(C(=O)NCC(=O)n2nc(C)cc2C)cc(OC)c1OC	0
CC(=O)Nc1cccc2nonc12	0
Cc1n[nH]c(C)c1[C@@H](C)[NH3+]	1
Nc1nc(N)c(-c2ccccc2)c[nH+]1	1
CC1=NO[C@@](O)(c2ccc([N+](=O)[O-])cc2)C1	0
COc1ccc2c(c1)C(OC(C)C)=C(C(N)=O)S2=O	0
OC12CCCC(CCC1)O2	0
COc1ccccc1C=Nc1nnc[nH]1	0
C#C[C@@](C)(O)CCc1ccc2c(c1)OCO2	0
COc1ccc2c(c1)O[C@@](O)(C(F)F)C=C2O	0
NC(=O)c1nc(Cl)ccc1Cl	0
Clc1ccc(CCNC2=[NH+]CCS2)cc1	1
CC(C)(C)c1cc(CCC(=O)N2CC[NH2+]CC2)c(C(C)(C)C)cc1O	1
CC(C)NC(=[NH2+])Cn1cnc2c1c(=O)n(C)c(=O)n2C	1
C[N@@H+](C[C@@H](O)C(F)(F)F)C1CCCCC1	1
c1ccc(CN2CCC([NH+]3CCCC3)CC2)nc1	1
O=C(OC/C(=N\O)c1ccccc1)c1ccc(Br)cc1	0
NS(=O)(=O)c1ccc(NC(=O)CN2CCc3ccccc32)cc1	0
Nc1nc(N)c2c(CSc3ccc4ccccc4c3)coc2n1	0
C[C@@H]([NH3+])c1nc2ccccc2[nH]1	1
CN1C(=O)N(c2ccccc2)C2(CC[NH2+]CC2)C1=O	1
O=C([C@@H]1CCC[NH2+]C1)N1CCC(C[NH+]2CCOCC2)CC1	2
CSC(c1ccc(O)cc1)=[N+]1CCOCC1	1
O=C(Nc1ccc(Cl)cc1Cl)c1cnc2ccccc2c1O	0
CC(=O)Nc1ccccc1	0
COc1nc(C)nc(NC(=O)c2cnc3ccccc3c2O)n1	0
CC1CCC([NH2+]CCc2ccc3c(c2)OCO3)CC1	1
C[C@@H](O)C[NH+](Cc1ccccc1Cl)C[C@@H](C)O	1
O=C(c1cccs1)n1cccn1	0
COc1ccc2[nH]c(C[NH3+])cc2c1	1
CCOC(=O)[C@@H](C[NH3+])c1ccccc1	1
Cc1nc(N)sc1Cc1ccc(O)cc1	0
CC(=O)c1ccc(N2CCN(C(=O)c3cccs3)CC2)c(F)c1	0
CC(=O)Nc1ccccn1	0
C[C@H]1CC(=O)NN=C1c1ccc2c(c1)NC(=O)[C@H](C)O2	0
CC[C@@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCC2	0
CCc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc(OC)cc1	0
C(=N/Oc1ncnc2ccccc12)\c1ccc2c(c1)OCO2	0
O=C1c2ccccc2C(=O)N1C[C@@H]1C[NH2+]CCO1	1
Cc1cc(CN=NC(N)=S)ncc1O	0
COc1ccc(Cl)cc1NC(=O)CSc1ccccn1	0
NC(=O)c1cccc(/N=C/c2cc(Br)ccc2O)c1	0
c1cc[n+](CC2OCc3ccccc3CO2)cc1	1
Cc1sc2ncnc(N3CC[NH+](C)CC3)c2c1C	1
CC(C)(C)[NH2+]C[C@@H](O)c1ccccc1F	1
COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1	0
CN1CCc2c1[nH+]c1ccccc1c2N	1
COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1	0
Nc1c2c([nH+]c3ccccc13)NCC2	1
CCOc1ccccc1N1CC[NH+](C2CCN(C)CC2)CC1	1
Cn1c([C@@H](O)c2ccccc2)[n+](C)c2ccccc21	1
CC(C)(C)OC(=O)N1CC[NH2+]CC1	1
C1=CC2=Nc3cccc[n+]3CN2C=C1	1
Cn1c(NCc2ccc3c(c2)OCO3)[nH+]c2ccccc21	1
COc1ccc(C[NH2+]C[C@@]2(O)CCOC(C)(C)C2)cc1	1
c1ccc(-c2nnc3c4ccccc4cnn23)cc1	0
ON=C1C2CC3CC(C2)CC1C3	0
O=C(c1cc2ccccc2oc1=O)n1cc([N+](=O)[O-])cn1	0
CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(OC)c(OC)c2)c1C	0
CN(C)C(=O)Oc1ccccc1C[NH+](C)C	1
COc1ccc(C)cc1NC(=O)CC(O)(C(F)(F)F)C(F)(F)F	0
Cc1ccc2[nH]c3c(c2c1)CCC3=O	0
CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C	0
Cc1cc(-c2ccccc2)n(-c2cc(N3CC[NH+](C)CC3)ncn2)n1	1
O=C(Nc1ccccc1)c1cccc(=O)o1	0
C=C1[C@@](O)(c2ccccc2)C2CC[N+]1(C)CC2	1
C[NH+](C)Cc1c(N)cccc1O	1
Nc1cc(=O)[nH]nc1-c1ccccc1	0
COC(=O)c1cnc(Sc2ccc(Cl)cc2)nc1C(F)(F)F	0
CN(C)S(=O)(=O)N1CCN(c2ncccn2)CC1	0
N#CCc1ccc2cc(CC#N)ccc2c1	0
Cc1ccc(NC(=S)[C@@H](C#N)c2nc3cccnc3n2C)cc1	0
c1ccc(N2CC[NH+](C3CCN(Cc4ccncc4)CC3)CC2)cc1	1
CCn1c(C)[n+](CC)c2cc(S(N)(=O)=O)ccc21	1
O=C([O-])/C=C1\OC(=O)c2ccccc21	-1
Nc1cc(N)[nH+]c(SCC(=O)c2ccccc2)n1	1
COC(=O)[C@H]1C[N@@H+](C)CC[C@]1(C)OC(=O)Oc1ccccc1	1
Nc1ccccc1C(=O)NN1CCOCC1	0
O=C(Nc1ccc(Cl)cc1)c1cc[nH]n1	0
Cn1c(-c2ccc[n+](C)c2)nc2ccccc21	1
CCOc1ccc2nc(SCc3ccc(OC)cc3)sc2c1	0
Cn1cc([C@@H](CN2C(=O)c3ccccc3C2=O)[NH+](C)C)c2ccccc21	1
Cc1ccc(C(=O)C[C@@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)[O-])cc1	0
COc1cccc([C@@H]2C[C@@](C)(O)Oc3cc4c(cc32)OCO4)c1O	0
CNC(=O)Oc1ccc2[nH]cc(CC[NH3+])c2c1	1
N#CCC(=O)Nc1ccccc1	0
Cn1c(=O)c2c(n(C)c[n+]2Cc2ccccc2)n(C)c1=O	1
COc1ccc(C[NH2+]C[C@@H](C)O)cc1OC	1
CC(=O)c1ccc(N)cc1O	0
O=c1oc(NCc2ccccc2)nc2ccccc12	0
O=[N+]([O-])c1cc(/C=N/c2ccc3c(c2)OCCO3)ccc1Cl	0
Oc1ccc2ccccc2c1Br	0
O=[N+]([O-])c1ccc2cccc(Cl)c2c1	0
CC1=CC(=O)O[C@@]2(C1)C[C@H]1CC[C@@H]2C[N@@H+]1C	1
O=C1c2ccccc2C(=O)N1CC(F)(F)F	0
C[NH+](C)CCC(=O)c1ccco1	1
NC(=[NH2+])c1ccc(F)c(Cl)c1	1
Cc1ccc(-n2nc3c(c2NC(=O)C2CCCC2)C[S@](=O)C3)cc1	0
CN1C(=O)CC[C@@]1(C(=O)[O-])c1ccccc1	-1
CCN(CC)C(N)N=N	0
CN(N)C(=[NH2+])NCc1ccccc1	1
NC1=[NH+][C@@H]2CCCC[C@@H]2CS1	1
C(=N/c1ccccc1)\c1ccco1	0
CC(=O)c1ccc(-c2ccc(C=C(C#N)C(=O)N(C)C)o2)cc1	0
CC[C@](Br)(C(N)=O)C(C)C	0
Cc1nc(NC(=S)NC(=O)c2ccccc2)sc1C(=O)N(C)C	0
CC[C@](O)(COC(N)=O)c1ccccc1	0
[NH3+]C12CC3(F)CC(F)(C1)CC(F)(C2)C3	1
C[C@@H]([NH3+])Cc1ccc(O)cc1	1
N#Cc1ccc(NN)c(Cl)c1	0
C[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccccc2)C1	1
CC[NH+]1CCN(c2ccc(NC(=O)c3cccnc3Cl)cc2)CC1	1
CCCN(CCC)C(=O)c1ccc(OC(C)=O)cc1	0
CN(C(=O)c1ccc(=O)[nH]c1)C1(C(=O)NC2CCCC2)CCCCC1	0
COC(=O)c1cc(Br)c(=O)n(CC[NH+]2CCCCC2)c1	1
CN1CCc2cc3c(cc2[C@@H]1O)OCO3	0
CC(C)[C@@H]([NH3+])C(=O)NC1CCCCC1	1
CCOC(=O)CC[N@H+]1CCc2cc(OC)c(OC)cc2C1	1
[NH3+]Cc1cc(Cl)ccc1Cl	1
c1cncc(-c2cc3ccccc3[nH]2)c1	0
COc1ccc(C2=[NH+][C@@H](c3ccc(OC)cc3)[C@H](c3ccc(OC)cc3)N2)cc1	1
C[NH+](C)Cc1cc2ccccc2[nH]1	1
Nc1cc(F)c(C(F)(F)F)c(F)c1	0
C[NH+](C)C(C)(C)CO	1
CC1(C)OC(=O)N(NCc2ccccc2)[C@@]1(C)O	0
Cc1nn(C2CCCC2)c2nc(-c3ccncc3)[nH]c(=O)c12	0
N#Cc1c(F)c(F)c(N)c(F)c1F	0
Cc1ccc2c(c1)c1c(n2C)CC[N+](C)(C)C1	1
Cc1cc(Cl)ccc1OCC(=O)Nc1c(C)ccc2nsnc12	0
Nc1nc(F)cc(Oc2ccc(I)cc2)n1	0
Cc1ccc([C@@H]2NC(=O)c3ccccc3O2)cc1	0
Fc1ccc(Sc2c(F)c(F)nc(N3CC[NH2+]CC3)c2F)cc1	1
CCOc1cc2c(cc1OCC)[C@@H](C(CC)CC)[NH2+]CC2	1
COc1ccc(C2=[N+](C)CCn3cccc32)c(OC)c1	1
CC1(C)C[C@@H](n2ccccc2=O)c2cc(C#N)ccc2O1	0
C[C@@]1(O)C[C@@H]2C=C[C@H]1CC2	0
S=C1N=NC(c2ccccn2)N1Cc1ccccc1	0
NC(=S)c1cccc(-n2cccc2)c1	0
Cc1ncccc1O	0
Fc1cccc(Cn2nc[nH]c2=S)c1	0
Nc1c2c(nc3cccc(F)c13)OCCC2	0
NNC(=S)N[C@H]1C[C@@H]2C=C[C@H]1C2	0
CC[C@H](Oc1ccccc1)C(=O)Nc1nc(C)c(C(=O)N(C)C)s1	0
CSc1nnc(SC)n1NC(=[NH2+])c1cccc(C(F)(F)F)c1	1
NNc1[nH+]c(-c2ccncc2)nc2ccccc12	1
NC(=O)c1ccsc1N	0
[NH3+]Cc1cccc(F)c1	1
Nc1nc(-c2ccncc2)cc(=O)[nH]1	0
CCOC(=O)NC(=S)N1CCCC1	0
COc1cc(C[NH2+]Cc2cccnc2)cc(OC)c1	1
Cc1ccc([C@@H]2SCC(=O)N2CC[NH+]2CCCCC2)cc1	1
CC(=O)Nc1ccc(N2CCN(CCC[NH+](C)C)CC2)cc1	1
CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3[nH+]c(C)cc(N)c3c2)cc1	1
COC(=O)C1=CN(C(C)C)C=C(C(=O)OC)C1c1ccc(OC)cc1	0
Cc1ccc(=O)n(-c2ccccc2)c1	0
[NH2+]=C1NCCN1c1ccccc1	1
CCC1CCC(C(=O)N[C@@H](C(=O)NCc2cccnc2)C(C)C)CC1	0
CS(=O)(=O)c1ccc(F)c(N)c1	0
C[S@@](=O)Cc1ccccc1	0
Nc1ccc2[nH]ccc2c1	0
CN1C(=O)NC(=O)/C(=C/c2cccn2C)C1=O	0
CC(=O)Oc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1	0
O=c1nc(NO)ccn1[C@@H]1C[C@@H](F)[C@H](CO)O1	0
NC(=[NH2+])c1ccc(C(F)(F)F)cn1	1
Cc1c(C=O)oc2ccccc12	0
Cc1c(C#N)oc2ccccc12	0
CNc1nn2nnnc2c2ccccc12	0
CCN(CC)C(=O)N[C@@H]1C[C@H]2c3cccc4[nH]cc(c34)C[C@@H]2N(C)C1	0
O=C1Nc2ccccc2/C1=c1/sc2n(c1=O)CCCN=2	0
Nc1cccc(-c2cnco2)c1	0
Fc1cccc2c1C[NH2+]CCS2	1
Cc1nn(Cc2ccccc2)c(=S)[nH]c1=O	0
O=c1cccc(Cl)[nH]1	0
[NH3+]CCc1c[nH]c2ccc(OCc3ccccc3)cc12	1
C[NH+](C)C[C@@]1(O)C2CN3CC[N@H+](C2)CC1(c1ccccc1)C3	2
CCOC(=O)c1cnn(-c2ccc(N)cc2)c1C(F)(F)F	0
C[n+]1ccc(-c2ccncc2)cc1	1
Cc1cccc(NC(=O)/C=C/c2ccccc2)n1	0
C=CCn1cncn1	0
Cc1noc(-c2ccc3c(c2)OCO3)c1I	0
Cc1nc(CC[NH3+])n[nH]1	1
Cc1ccc(/C=N/N(C)C2=[NH+]CCN2)o1	1
COc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)Nc1ccc(C)cc1	0
CC(=O)N1CC(=O)NC1=S	0
C#CC[n+]1cccc2cc(O)ccc21	1
CCC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1	1
O=C(Nc1ccc(Br)cn1)c1cc(F)c(F)cc1Cl	0
CCOC(=O)C1CC[NH+](Cc2sccc2C)CC1	1
C[NH+](C)CCNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1	1
NNc1nc(N2CCOCC2)c(F)c[nH+]1	1
CCOC(=O)CC1=CN2CCN=C2S1	0
CC(C)(O)C#C[C@@H](O)c1cccnc1	0
Cn1c(-c2ccccn2)[n+](C)c2ccccc21	1
C=CS(=O)(=O)c1ccc(OC)c(N)c1	0
Cc1cc(C[NH3+])no1	1
COc1ccc(N2CCCC2=O)cc1	0
Cc1ccc(Cl)cc1N1C(=S)N=NC1c1cccc([N+](=O)[O-])c1	0
Cc1cc(C)[n+](C)cn1	1
COc1ccc(C(=O)Cc2ccc(OC)c(OC)c2)c(O)c1	0
O=C(Cn1ccnc1)c1ccc2ccccc2c1	0
Cc1ccc2ccccc2c1CON	0
COc1cc(C)ccc1S(=O)(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	1
N#Cc1c(C#N)c(O)c2ccccc2c1[O-]	-1
C[N+](C)(C)Cc1ccc(C(=O)c2ccccc2)cc1	1
NC(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1	0
CCn1nccc1C(=O)n1nc(C)c(Cl)c1C	0
O=C1C[C@@H]2CCC[C@H](C1)[N@H+]2Cc1ccccc1	1
c1ccc(C2(c3ccccc3)C[C@@H]2C2=[NH+]CCN2)cc1	1
C[C@H](C(=O)[O-])c1ccc2c(c1)Cc1ccccc1-2	-1
O[C@]1(c2cccc(Cl)c2)C2=NCCCN2c2ccccc21	0
COC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12	0
COc1ccccc1NC(=O)CSc1ccc(Cl)cc1Cl	0
Cc1ccc[nH+]c1NC[C@@H](O)COc1ccccc1	1
C[C@H](CC[NH+](C)C)Nc1cc(O)cc2cccnc12	1
C[NH2+]C[C@@H](O)c1ccccc1	1
Cc1ccc(Cl)cc1O	0
C1CCN(c2nn[nH]n2)CC1	0
O=C(CSc1nnc2ccccn12)Nc1ccc(F)cc1	0
NC(=O)c1ccc[n+](Cc2ccccn2)c1	1
COc1cccc(-[n+]2noc(=O)[n-]2)c1	0
Cc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1	0
C[C@H]1CC(=O)NN=C1c1ccc(NN=C(C#N)C#N)cc1	0
CCN(CC)c1ccc(/N=C/c2ccc(Br)s2)cc1	0
COc1ccccc1CNC(=O)c1ccc(NC(C)=O)cc1	0
CC(=O)Nc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1	0
CCOC(=O)n1cc(F)c(=O)[nH]c1=O	0
c1cc[n+](-c2ccncc2)cc1	1
CCOC(=O)C[NH+]1CCCCC1	1
CCc1cc2nc(C)cc(C)n2[o+]1	1
O=[N+]([O-])c1ccc(SCc2ccc(Cl)cc2)c(C(F)(F)F)c1	0
CC(C)Sc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1	0
COc1cccc(C[NH3+])c1OC	1
CC(=O)N[C@H]1CCc2ccccc21	0
COc1cc2c(cn1)[C@H]1[NH2+]CC[C@@H]1CC2	1
O=c1c2ccccc2nc2n1CC[C@H]2O	0
COc1ccc2c(c1)c1c3n2C[C@@H](O)CN=C3CCC1	0
CC(C)[C@@](C)(NC(=O)c1cccnc1Oc1ccc(F)cc1)C(N)=O	0
C=CC[n+]1ncn(C(C)(C)C)n1	1
COc1cc(C[NH+]2CCN(CC[NH3+])CC2)cc(OC)c1	2
C[NH+]1CCC(c2c[nH]c3ccc(O)cc23)CC1	1
COc1ccc([C@@H](O)Cc2[nH+]ccn2C)cc1	1
CSc1c(CC(=O)[O-])n(C)c2ccccc12	-1
CN(CCc1ccccc1)CCS(=O)(=O)c1ccc(F)cc1	0
c1coc(CC[C@@H]2[NH2+]CCn3cccc32)c1	1
Cc1[nH]n2c(=O)[n-]c(=O)nc2c1C	-1
N#C[C@H]1CCCCC1=O	0
CSc1nc(-c2ccccc2)nc(-c2ccccc2OC(C)=O)n1	0
CSc1nnc2c(n1)O[C@H](c1cccs1)Nc1ccc(C)cc1-2	0
[NH3+]Cc1ccc(Cl)cc1F	1
C[NH+]1CCN(NC(=O)c2sc3ccccc3c2Cl)CC1	1
CCOc1ccc(S(=O)(=O)NCc2ccco2)c2ccccc12	0
CC(C)[NH2+]C[C@@H](O)c1ccc(N)c(C#N)c1	1
O=C(Nc1ccc(F)cc1)N1CC[NH+](CCc2ccccc2)CC1	1
C[NH+](C)CCNC(=O)C1CCN(c2nc3ccccc3o2)CC1	1
CN1CCN(c2ccc(C[NH3+])cc2)CC1	1
c1ccc2snnc2c1	0
C[C@@]1(c2ccccc2)NC(=O)NC1=O	0
CCc1ccc(/C=c2/sc3nc(-c4ccc(C)cc4)nn3c2=O)cc1	0
O=C(c1ccccc1)N1CCC(c2cnc[nH]2)CC1	0
CC[N@H+]1CC=C2[C@H](C1)[C@@H](c1ccncc1)C(C#N)=C(N)C2(C#N)C#N	1
COC(=O)c1ccsc1NC(=O)c1cncc(Br)c1	0
CN1C(=O)C[C@H](N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)C1=O	1
C[NH+](C)CCCN1c2ccccc2C(c2ccccc2)=Nc2cccnc21	1
C[C@@H]1[NH2+][C@H](C(=O)[O-])CS1	0
CC(C)n1c(=O)n(Cc2nc3ccccc3n2CC[NH+](C)C)c2ccccc21	1
Cc1cc(C)nc(NCCc2ccc(O)c(O)c2)n1	0
CCc1ccccc1NNC(N)=S	0
c1ccc(-n2nnnc2SCC[NH+]2CCCCC2)cc1	1
[NH3+]Cc1cccc(I)c1	1
CCOC(=O)c1c(-c2ccccc2)nc2nonc2c1N	0
CC1(C)CC(N2CCC(=O)NC2=S)CC(C)(C)[NH2+]1	1
Oc1cccc(Br)c1	0
CC(C)(C)NC(=S)NC1CC[NH+](Cc2ccccc2)CC1	1
Fc1ccc(COc2ccnc3cc(C(F)(F)F)ccc23)cc1	0
CN1c2ccccc2C(c2ccccc2)=[NH+]C[C@@H]1CCNC(=O)c1cccs1	1
CCOC(=O)[C@]1(C#N)C(=O)C(C#N)=C2CCCC[C@H]2[C@@H]1c1ccccc1	0
Cn1c(-c2cccnc2)[n+](C)c2ccccc21	1
Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1	0
O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCCCC2)c1	1
C[C@@H](C(=O)c1ccccc1)[C@@]1(O)C(=O)N(CC(N)=O)c2ccccc21	0
Cc1cc(C(=O)NC2C[C@@H]3CCC[C@H](C2)[N@H+]3C)nn1-c1ccccc1	1
Cc1ccc([C@@H](CC(=O)c2ccco2)Sc2ccccc2N)cc1	0
Cc1ccc(N[C@@H](NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1	0
CNC1=Nc2ccc(Cl)cc2C(c2ccc[nH]2)=NC1	0
CC(C)[NH2+]C[C@@H](O)COc1cccn2nccc12	1
O=c1cc(-c2ccccc2)[nH]c(=O)[nH]1	0
Cc1nc(-c2cccnc2)[nH+]c(NN)c1Cl	1
C[C@@H](O)C[NH+](C[C@@H](C)O)C[C@H]1CC=CCC1	1
COC(=O)C1=CO[C@H](C)[C@H]2C[N@H+]3CCc4c([nH]c5ccccc45)[C@H]3C[C@@H]12	1
COc1cc(C[NH2+]Cc2ccc(C)cc2)cc(OC)c1	1
CC1=C[C@@](O)(C(F)(F)F)N(c2nc3ccccc3s2)[NH2+]1	1
O=C1N[C@@H](c2ccncc2)Nc2ccccc21	0
CC(C=NN1C(=S)N=NC1c1ccco1)=Cc1ccco1	0
Cc1ccc(C[NH+]2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1	1
CS(=O)(=O)c1ccc(Br)cc1	0
CCc1nn(C2CCCC2)c2c1CCn1c(-c3ccsc3)nnc1-2	0
Cc1cc(N2CC[C@@H]([NH3+])C2)cnc1Cl	1
Cc1ccc2cc(F)ccc2[n+]1C	1
COC(=O)c1ccc(C[n+]2ccccc2)cc1	1
C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccccc12	1
COc1cc(N)c(Cl)cc1C(=O)NCC[N@@H+](C)C1CC1	1
COC(=O)C1C(C)=NC(=O)N[C@@H]1c1cc(OC)cc2ccccc12	0
C[NH2+]C[C@@H](O)c1ccc2cc[nH]c2c1	1
CCOC(=O)c1cnc2ccc(F)cc2c1NCC[NH+](C)C	1
CC(=O)NC1(NC(C)=O)CC[N@H+](C)[C@@H](c2ccccc2)[C@H]1C	1
CCO[C@]1(C2=NCCN2)COc2ccccc2O1	0
CC(=O)Nc1ccc(C)c(N2C(=O)c3ccccc3C2=O)c1	0
Oc1ccc2c(c1)CC[N+]1=C2CC[C@H]2CCC[C@@H]21	1
COc1ccc(C(=O)CC[NH+](C)C)c(F)c1	1
Cc1cc(C)c(NC(=O)[C@H](C)Sc2ccccn2)c(C)c1	0
O=C1NC(=S)NC1=Cc1ccc(F)cc1	0
CC[NH+]1CCN(C(=S)c2ccc(OC)cc2)CC1	1
Clc1ccc2c(c1)C(c1ccccc1)=NCc1nncn1-2	0
COc1ccc(Cn2nnc(C(=O)Nc3ccc(F)cc3)c2N)cc1	0
Cc1ncc(C[NH3+])c(N)n1	1
Nc1ccc(F)cc1	0
Cc1cc(C)c(S(=O)(=O)N(C)C)c(C)c1	0
COc1cccc(CC[NH+]2CCCC2)c1N	1
CC(=O)c1ccc(N2CC[NH2+]CC2)cc1	1
CCN(CC)C(N)=C(C#N)N=Nc1ccc(C)cc1	0
OC1(c2ccc(Cl)cc2)CC[NH2+]CC1	1
O=C(c1ccccc1)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1	1
C[N@H+]1C[C@H]2C[C@@H]1CN2c1cnccn1	1
COc1ccc([C@@H]2SCC(=O)N2CCC[NH+](C)C)cc1	1
C[NH+](C)CCCN1C(=O)CS[C@@H]1c1cccc(Cl)c1	1
Cc1ccc(NC(=O)CC(C)(C)C)cc1	0
CN(C)S(=O)(=O)NCc1ccccc1	0
Nc1nc(-c2ccc(F)c(F)c2)cs1	0
Clc1ccc2nc(N3CCC[NH2+]CC3)sc2c1	1
COc1ccc(COC[C@@H](O)C[NH2+]C2Cc3ccccc3C2)cc1	1
CC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(O)cc1	0
O=C1NCC[C@H]2CNC(=O)[C@@H]12	0
COc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@H]2C)cc1	1
CC(C)(C)CC(C)(C)NC(N)=[NH2+]	1
Cn1cc[n+](-c2cccc(-[n+]3ccn(C)c3)c2C#N)c1	2
S=C(c1ccccc1)N1CCOCC1	0
COc1ccc2c(c1)NC(=O)CCC2	0
COC(=O)[C@@H](C)Oc1ccc2ccccc2c1Cl	0
COC(=O)c1cc(Br)c[n+](C)c1	1
O[C@H]1C[C@@H]2CC[C@H]1[N@@H+](Cc1ccccc1)C2	1
CC(=O)N(C)C[P@](=O)([O-])CN1CCCC1=O	-1
C[NH2+]Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	1
C[NH+](C)C[C@@H](O)[C@H]1CCOC(C)(C)C1	1
O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCc2ccccc21	0
CC[C@@H](O)c1ccc(OC[C@@H](O)C[NH+]2CCCCC2)c(OC)c1	1
O=C1CN(c2ccccc2)C=NN1	0
CCN(CC)c1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1C	0
CCS(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O	0
Cc1oc(N)c(C(N)=O)c1C	0
OCc1ncccc1O	0
OCC[N@@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1	1
Cc1cc(C)n(C)c(=O)c1C(=O)Nc1ccccc1Cl	0
O=C(CCN1C(=O)c2ccccc2C1=O)N1CCCCC1	0
O=C(Nc1ccccc1Cl)N1CCCCC1	0
CC(C)(C)[NH2+]Cc1ccc(F)cc1F	1
CC(C)N(C(=O)c1ccccc1)C(C)C	0
C[n+]1ccccc1-c1ccccn1	1
O=C1CCCCCCCC[C@@H]1O	0
Nc1c2c([nH+]c3ccccc13)CCOC2	1
COc1cc(N)c(Cl)cc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1	1
C1CCN(C2=[NH+]CCS2)CC1	1
NC(=O)C1([NH+]2CCCCC2)CCN(CCCN2c3ccccc3CCc3ccc(Cl)cc32)CC1	1
COc1cc2c(cc1O)CCN(C(=O)C[NH+]1CCCCC1)[C@@H]2C	1
O=C1CSC(N2CCOCC2)=N1	0
CCOC(=O)/C(C#N)=C/c1ccc(Cl)cc1	0
N#Cc1ccc(N)c(N)c1	0
COc1ccccc1CC(=O)N1CCN(c2cccc(Cl)c2)CC1	0
COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1cc(OC)ccc1OC	0
Cc1cc(C)c(NC(N)=O)cc1C	0
O=S(=O)(N[C@@H]1CCCC[C@@H]1[NH+]1CCCCC1)c1ccccc1	1
Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1C	0
CNC(=O)c1cccc(NC(=O)Cc2csc3ccccc23)c1	0
C[C@H](c1ccccc1)[N@H+]1CCc2nc(=O)n3cc(-c4ccccc4F)[nH]c3c2C1	1
CCC1(c2ccccc2)C(=O)NCNC1=O	0
C[C@@H]([NH3+])Cc1c[nH]c2ccc(F)cc12	1
C[C@@H](Cc1ccc(O)cc1)[NH2+]C[C@@H](O)c1cc(O)cc(O)c1	1
NC(=[NH2+])NCc1nc(-c2ccccc2F)cs1	1
O=c1c2ccccc2c(=O)n(Cc2ccccc2)n1Cc1ccccc1	0
COc1ccc([C@]2(C)N(O)[C@@H](C)C(c3ccccc3)[N+]2=O)cc1	1
CC(C)Oc1ccc(C[NH3+])cc1	1
CC(C)Oc1ccccc1C[NH3+]	1
CC(C)Oc1cccc(C[NH3+])c1	1
COC[C@@H](C)[NH2+]Cc1cc(OC)ccc1OC	1
COc1cccc(CN2CCC([NH+]3CCCCC3)CC2)c1OC	1
C=C1CCN(C(C)=O)CC1	0
CSC[NH+]1CCCCC1	1
CN1CCC([NH2+]C2CC2)CC1	1
O=[N+]([O-])c1ccc(F)cc1C(F)(F)F	0
CCOC(=O)/C(C#N)=C/[NH+]=c1\ccn(C)c2ccccc12	1
COc1ccc(C[NH3+])cc1	1
[NH3+]Cc1ccc(F)cc1	1
[NH3+]Cc1ccc(Cl)cc1	1
CCOc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1	0
O=C(NC(=O)c1ccccc1)NC1CC[NH+](Cc2ccc3ccccc3c2)CC1	1
C[N@H+]1[C@@H]2CC(=O)C[C@H]1[C@@H](O)C2	1
COc1cccc(OC[C@@H](O)C[NH+]2C(C)(C)CC(O)CC2(C)C)c1	1
CN1CCC[C@@]2(CCC[NH2+]C2)C1	1
CSc1cc(N)nc(N)[nH+]1	1
Cc1nnc([N-]S(=O)(=O)c2ccc(N)cc2)s1	-1
CC(C)(C)[C@@]1(O)C(=O)Nc2ccccc21	0
Cc1ccc(NC2=[NH+]CCCS2)cc1	1
O=C([O-])[C@@H]1CCCC[N@H+]1Cc1ccccc1	0
OC[C@@H]1CCC[N@@H+](Cc2ccncc2)C1	1
C[N+](C)(CCN1C(=O)C2=C(SCCS2)C1=O)Cc1ccccc1	1
Cc1ccc(-c2noc(CN(Cc3ccco3)S(C)(=O)=O)n2)cc1	0
ON=C1CC[NH+](Cc2ccccc2)CC1	1
O=c1oc(-c2sc3ccccc3c2Cl)nc2cc(Cl)ccc12	0
Cc1ccc2c(=O)n(-c3ccc(Cl)c(Cl)c3)c(=O)[nH]c2c1	0
FC(F)(F)c1cc(N2CC[NH2+]CC2)c2ccccc2n1	1
C[C@@H]1[C@@H](c2ccccc2)[N@H+](C)CC[C@H]1O	1
CC(C)NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1	0
C[C@@H]1C(=O)CC[NH2+][C@@H]1c1ccccc1	1
CCCn1c(=O)c2c(ncn2CCC[C@H](O)[C@@H](C)O)n(CC)c1=O	0
CC(C)(C)n1c[n+](-c2ccccc2)nn1	1
O=C(NC[C@@H]1COc2ccccc2O1)c1ccco1	0
CCN(CC)C(=O)CSc1nc(N)cc(N)[nH+]1	1
O[C@H](Cn1c2ccccc2c2ccccc21)C[n+]1ccccc1	1
O=CNc1ccc(C2=NNC(=O)CC2)cc1	0
COC(=O)CNS(=O)(=O)c1cc(Cl)ccc1Cl	0
COc1ccc(CC2CCC(=NOC(=O)C3CCCCC3)CC2)cc1	0
Clc1ccc(-c2nnc(NC3=NCCC3)o2)cc1	0
OCCN1CC[NH+]([C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)CC1	1
O=C(c1ccco1)N(c1cccnc1)C1CC[NH+](CCc2ccccc2)CC1	1
C[C@@H]1C[NH+]=C(Nc2ccc(N)cc2)S1	1
COc1ccc(C(=O)COC(=O)c2ccc(Br)cc2)cc1	0
COc1ccc(/C=C2/NC(=S)NC2=O)c(Cl)c1OC	0
Nc1c2c([nH+]c3cccc(F)c13)CCCC2	1
Cc1cc(C)c(C#N)c(SCC[NH+]2CCCCC2)n1	1
COC[C@@H](C)[NH2+][C@@H]1CCc2ccccc2C1	1
c1ccc2[nH]c(N3CCOCC3)nc2c1	0
O=c1[nH]c(=O)c2c3c(sc2[nH]1)CCCC3	0
C[C@@H](O)C[NH2+]C1CCCCC1	1
CN1C[C@@H](C(=O)N2CC[C@@H](C[NH3+])C2)NC1=O	1
CCOC(=O)CC[NH3+]	1
C[NH+](C)CCOC(=O)[C@@H](c1ccccc1)C1(O)CCCC1	1
CCOC(=O)[C@@H]([NH3+])C(C)C	1
C=C(C)Cn1c(SCc2ccccc2)nc2ccccc2c1=O	0
OC[C@@H]1CCCC[NH2+]1	1
OC[C@@H]1CCC[NH2+]C1	1
C[C@H](C[NH+](C)C)[C@](C)(O)Cc1ccc(Cl)cc1	1
COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccc2c(c1)OCO2	0
Cc1c(CCC(=O)NN)c(C)n2c(nc3ccccc32)c1C#N	0
N#Cc1cc(-c2ccncc2)c[nH]c1=O	0
Cc1ccc(OC(N)=S)cc1	0
CC(=O)N1N=C(N)S[C@@H]1c1ccccc1	0
Nn1cnc2sc3c(c2c1=O)CCCC3	0
COc1ccc(/C=C2/NC(=O)NC2=O)c(OC)c1	0
Cc1ccc2cc(NC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)ccc2n1	0
COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1C(=O)[O-]	-1
CN1CC2(C)C[NH+](C)CC(C)(C1)C2O	1
COC(=O)c1cccc(NC(=S)NN)c1	0
COC(=O)c1cccc(NC(=S)N/N=C/c2ccc(OC)cc2)c1	0
C[C@@H]1COC(=O)C(=NNc2ccccc2)N1	0
NC(=O)Cn1c(S(=O)(=O)Cc2ccccc2)nc2ccccc21	0
Cn1cnc2c(NCCc3ccccc3)ncnc21	0
CC[NH+](CC)CC1CC[NH+](CC(=O)N2CCOCC2)CC1	2
CC1(C)CC(NCC(=O)OC2CCCCC2)CC(C)(C)[NH2+]1	1
Cc1ccc(N[C@@H]2C[C@@H](O)[C@H](CO)O2)cc1C	0
Cc1cc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)ccc1Cl	0
CC(C)CCNS(=O)(=O)c1ccc(F)cc1	0
CN(C)C(ON1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)=[N+](C)C	1
O=[N+]([O-])/C=C/c1cccc(Cl)c1	0
O=c1cc(-c2cccs2)[nH]c2ccccc12	0
c1ccc(-c2cc[nH]c2)nc1	0
CC(C)CCNS(=O)(=O)Cc1ccccc1	0
C[N@H+]1[C@H]2CC[C@@H]1CC(=NOC(=O)c1ccco1)C2	1
On1c2c(c3c4nonc4ccc31)CCCC2	0
O=C(c1ccc(F)cc1)C1CC[NH+](CCc2ccccc2)CC1	1
C[C@@H](O)/C=C/c1ccc2ccccc2[n+]1C	1
Cc1ccc(-n2nnnc2SCc2c(F)cccc2Cl)c(C)c1	0
CCc1ccc(C2=[NH+]CCN2)cc1	1
O=Cc1ccc(-c2ccc(Cl)cc2)o1	0
CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C	0
Nc1ccc(OC(F)(F)F)cc1	0
C1CCOC(C[NH+]2CCCC2)OC1	1
COC(=O)c1c(O)cccc1F	0
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCc1ccccc1	0
CCOC(=O)[C@@]1(c2csc(N)n2)COC(=O)C1	0
O=C1CCNc2cc3ccccc3cc21	0
C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCO3)c2C(N)=O)C1	0
CC(=O)Nc1ccc(NC(=O)c2ccc(C)c(Br)c2)cc1	0
Cc1cc(C(F)(F)F)cc(N(C)N[C@@H]2OC(=O)c3ccccc32)[nH+]1	1
O=C(NC1CCCC1)[C@H](Sc1ccccc1)c1ccccc1	0
C=CC(=O)N[C@@H]1c2c(cc3c(c2OC)OCO3)CC[N+]1(C)C	1
CC(=O)c1cc2ccc(O)cc2oc1=O	0
CC(=O)O[C@@H](C[NH+]1CCCC1)C(C)(C)C	1
Nc1ccccc1C(=O)OCC[C@@H]1CCCC[NH2+]1	1
Fc1cccc(CCNC(=S)Nc2ccc(Br)cn2)c1	0
C[NH2+]CC(=O)N1CCc2ccccc2[C@@H]1C	1
CC1=N[C@@H](CO)[C@H](c2ccccc2)O1	0
C[C@@H]1c2ccccc2CN1CC1=[NH+]CCN1	1
COC(=O)CNS(=O)(=O)c1ccc(Br)cc1	0
CNC(=O)/C=C(\c1ccccc1)c1ccc2nc(N)c(C(C)=O)n2c1	0
O=c1oc2ccccc2c2c1ncn2CC[NH+]1CCCCC1	1
C[NH+](C)CCN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O	1
Cc1cnc(C)cn1	0
COC(=O)c1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-]	0
Clc1ccc([C@]23C[NH2+]C[C@H]2C3)cc1Cl	1
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@H](CO)O2)cc1C(F)(F)F	0
Cn1cc(Br)c(C(=O)Nc2cccc(C(F)(F)F)c2)n1	0
Cc1cc(Cc2cnc(N)nc2N)c2cccnc2c1N(C)C	0
CC(C)Oc1ccc(/C=[NH+]/CC2(c3ccccc3)CCOCC2)cc1	1
c1ccc2c(c1)cc1n2CCC[NH2+]C1	1
CC[N@@H+]1CCc2nc(N)oc2CC1	1
CC(=O)O[C@@H](COCc1ccccc1)C[N+]1(C)CCOCC1	1
CCOC(=O)N1CCC([N@H+]2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)CC1	1
CC1(C)CN(C2=CCCC2=O)c2cc(C(F)(F)F)ccc2S1	0
Brc1ccc2nc3c(n2c1)CCCC3	0
C[C@@]12CCC(=O)N1c1ccccc1N2	0
COc1ccccc1N1CCN(/N=C/c2ccccc2)CC1	0
CC(C)CC(=O)N1CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1	1
Cn1c(N2CC[NH2+]CC2)nc2ccccc21	1
C[C@@H]1C[C@@H]([N@H+]2CNc3c(c(=O)n(C)c(=O)n3C)C2)CC(C)(C)C1	1
C[C@@H](O)c1c(O)ccc2ccc(=O)oc12	0
CS(=O)(=O)c1cccc(N)c1	0
Cc1cc(=O)oc2cc(NC(=O)[C@@H]([NH3+])Cc3ccccc3)ccc12	1
CC(C)[NH+]1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1	1
Cc1ccc(-c2nn(CCC(=O)NC(C)C)c(=O)c3ccccc23)cc1	0
COc1cc2c(cc1OC)[C@@H](c1ccc(N(C)C)cc1)[NH2+]CC2	1
O=Cc1ccc(-c2ccc(-c3ccc(CO)s3)s2)s1	0
Cc1ccc(OCC(=O)N2CCC([NH+]3CCCC3)CC2)cc1	1
O=[N+](Cc1c[nH]c2ccccc12)c1ccccc1	1
O=C1COc2ccc([N+](=O)[O-])cc2N1	0
Cc1nccn1C(=O)c1ccc([N+](=O)[O-])cc1Cl	0
N#C/C(C(=O)N1CCCCC1)=C1\C(=O)Nc2ccccc21	0
Cc1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)cc1	0
CC[N@H+]1CCc2c(sc(N)c2C(=O)OC)C1	1
C/C=C/[C@@H](C)c1cc(OC)ccc1O	0
CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc(F)c2)NC(=O)N1	0
COC(=O)C1CC[NH+](Cc2cccc(F)c2)CC1	1
COc1ccc([C@@]2(CC[NH3+])CCOC(C)(C)C2)cc1	1
c1ccc(-n2ncc3c(N4CC[NH2+]CC4)ncnc32)cc1	1
O=C(CC[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1	1
C#Cc1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)C2=O	0
Cc1c(C#N)c(SCC(=O)c2ccc(F)cc2)nc2c1CCCC2	0
O=C(N[C@H]1C[NH+]2CCC1CC2)c1c[n-]c2ccsc2c1=O	0
F[C@@H](c1nc2ccccc2[nH]1)C(F)(F)F	0
CCOC(=O)CC1=CSC2=NCCN12	0
C[NH+](C)[C@@H]1CCC[C@@H]1OC(=O)C(O)(c1ccccc1)c1ccccc1	1
Cn1cc(C(=O)N2CCC[C@H]([NH+](C)C)C2)c2ccccc21	1
COc1ccccc1Oc1ncnc2scc(-c3ccc(C)cc3)c12	0
CC(=O)N1CCC([NH2+]C(c2ccccc2)c2ccccc2)CC1	1
Fc1cccc(C[NH+]2CCN(c3ccccn3)CC2)c1	1
Clc1cccc(C2=CCC[NH2+]C2)c1	1
O=C1CN(c2ccccc2F)C(=O)N1	0
O=C(Cn1cncc1-c1ccc([N+](=O)[O-])cc1)N1CCOCC1	0
Cc1oc(CC(C)C)cc1C(N)=O	0
C[C@@H]1O[C@]2(C)O[C@H]1[C@]1(C)O[C@@H](C)[C@H]2O1	0
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NCc1ccco1	0
Cc1nc(NC=O)sc1C(C)(C)C	0
CCn1c(-c2ccc(Cl)cc2)n[nH]c1=O	0
COC(=O)c1ccccc1NC(=O)Cc1ccc(Br)cc1	0
C[N+](C)(C)CCON1C(=O)c2ccccc2C1=O	1
COc1cc([C@H]2[NH2+]CCC(=O)C2(C)C)cc(OC)c1OC	1
Nc1cc(Cl)nc(SCc2ccccc2)n1	0
C=Cc1noc([C@@H]2CNC=[NH+]C2)n1	1
O=C(c1cccs1)c1cn(CCOc2ccccc2)c2ccccc12	0
Cc1c[n+](C)c(C)cn1	1
C[NH2+]Cc1cc2ccccc2s1	1
C[NH2+]Cc1ccsc1	1
CC(C)[N@H+]1CCC[C@H](c2cccc(C#N)c2)C1	1
CCOC(=O)/C=C/c1ccc(O)cc1	0
CCOc1ccc(N2C(=O)C[C@H](N3CCC(C(N)=O)CC3)C2=O)cc1	0
N#Cc1cccc([C@H]2CCC[NH2+]C2)c1	1
Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1	1
CSc1ccc([C@@H](O)[C@@H]([NH3+])CO)cc1	1
CC[NH+](CC)CC(=O)N1CCCC1=O	1
Cc1c(N)c(=O)n(-c2ccccc2)n1C	0
Clc1ccccc1-c1nc(/C=N/N2CCOCC2)c2ccccn12	0
O=C1C[C@H](N2CCSCC2)C(=O)N1c1ccc(F)cc1	0
COc1cccc2onc(N)c12	0
Cc1cc(C)[n+]2ccccc2n1	1
CC(C)Nc1ccc[nH+]c1N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1	1
O=C(/C=C/c1ccccc1)N1CCOCC1	0
CCNc1ccc[nH+]c1N1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1	1
Cc1cc(/C=C/c2ccccc2OC[C@H](O)C[NH2+]C(C)(C)C)on1	1
C[N@H+]1CCC[C@@H]1c1cccnc1N	1
CC(=O)NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1	0
CN(C)C(=O)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1	0
Cc1cc(C)nc(N2CCOCC2)n1	0
C[NH+]1CCN(NC(=O)/C=C/c2ccccc2Cl)CC1	1
Cc1ccc(NC(=O)C[NH+]2CCC(C(N)=O)CC2)cc1	1
CC(=O)C[C@H]1C=C(C)[C@H](CO)S1	0
CC[C@@]1(C)N(O)C(C)(C)C(c2ccc(OC)cc2)[N+]1=O	1
CC(C)NC(=O)C(=O)N1CC[NH2+]CC1	1
CCOC(=O)c1cnn(C)c1NC(=O)c1ccc(Cl)cc1Cl	0
CC1(C)Cc2noc(N)c2C(C)(C)N1O	0
CC(C)[C@@H]1C[C@@](O)(C2(O)CCCCC2)ON1	0
CC(=O)c1cc(Nc2cc(C)n(C)c(=N)n2)cc(C(C)=O)c1	0
O=C(Nc1ccc(F)cc1)c1ccc2c(c1)OCO2	0
C[N@H+]1CCCN([C@@H](C[NH3+])c2ccc(F)cc2F)CC1	2
Nc1n[nH]c2cc(Cl)ccc12	0
Cc1cccc(C[NH+]2CCN(C(=O)C3CC[NH2+]CC3)CC2)c1	2
Cn1c2ccccc2c2cc3ccccc3c[n+]21	1
Cc1ccccc1/C=N/NC(N)=S	0
CCOC(=O)N1N=CC[C@@H]1C	0
O=C(CCn1c(=O)sc2ccccc21)NCc1ccc(Cl)cc1	0
CC[NH+](CC)CC[C@@H]1SCC(=O)N1Cc1ccccc1[N+](=O)[O-]	1
COc1ccc(/C=C/C(=O)Nc2ccccc2)cc1	0
C[N@@H+](Cc1ccccc1)Cc1cccnc1	1
CC(=O)c1ccc(O)c(C)c1	0
Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2S(=O)(=O)c1cccnc1	1
COc1ccc2c3c1O[C@@H]1[C@H](O)CC=C[C@@]31CC[N+](C)(C)C2	1
COc1ccc(C[NH3+])c(OC)c1	1
COc1ccc(OC)c(-c2n(C)c3ccccc3[n+]2C)c1	1
COc1cc[n+](OC(=O)N2CCCCC2)c(C)c1	1
Cc1ccccc1[C@@H]1CNC(=O)C1	0
Cc1ccn(C(=S)Nc2ccccc2)n1	0
C/C(=N\O)c1ccc(C)c(C)c1O	0
[O-][n+]1onc2cc(F)c(F)cc21	0
C[NH+](C)CCNc1cnn(-c2ccccc2)c(=O)c1Cl	1
CCOC(=O)c1c(C)n(C)c2ccc(O)c(C[NH+]3CCCCC3)c12	1
CN(C)c1cc(N)c2c([nH+]1)CCC2	1
Fc1ccc(F)c(NCn2nnc3ccccc32)c1	0
O=C1c2cccc3cccc(c23)N1C[NH+]1CCCCC1	1
C[C@@H]1c2c(cc(=O)[nH]c2[O-])C(=O)N1C	-1
C=CCN1C(=O)NC(=O)C(=C(C)NCC[NH+](C)C)C1=O	1
Cc1n(C)c2ncccc2[n+]1C	1
O=C1C[C@@H](c2ccccc2)NC(=O)N1	0
O=c1c2ccccc2nc(C[n+]2ccccc2)n1-c1ccccc1	1
CC(C)c1ccc(CNC(=O)c2ccc(=O)[nH]c2)cc1	0
CN(N)C(=S)NC(C)(C)C	0
C=C1C[C@H](C)O[C@@H](c2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)C1	1
Cc1ccc(C(=O)CC[NH+](C)C)o1	1
Cc1sc(NC(=O)c2ccccc2)c(C(=O)NCC[NH+](C)C)c1C	1
COc1cc(C=O)cc(OC)c1OCc1ccc(F)cc1	0
COc1ccc(N2CC[NH2+]CC2)cc1	1
C[NH+]1CCN(c2ccc(NC(=O)c3ccco3)cc2)CC1	1
CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(OC)cc1OC	0
c1ccc(NCC2=[NH+]CCN2)cc1	1
NC(=O)NC(=O)Cc1ccccc1	0
COc1cc(CC2=[NH+]CCN2)cc(OC)c1OC	1
CC1(C)OC[C@@H]([C@H]2OC(C)(C)O[C@@H]2CO)O1	0
Cc1cc(N)ccc1N1C(=O)c2ccc(Cl)cc2C1=O	0
CCCN1CCC([NH2+]C2CC2)CC1	1
CC(=O)[C@@H](C#N)c1ccccc1	0
CNc1cccc(C[NH3+])c1	1
CN(C)c1ccccc1C[NH3+]	1
c1ccc(CN2CCC([NH2+]C3CC3)CC2)cc1	1
CC(C)[N@H+]1CCc2c(sc(N)c2C(N)=O)C1	1
Cc1n[nH]c(C)c1[N+](=O)[O-]	0
Cc1cc(=O)oc2c(C)c(O)ccc12	0
COc1cc(NC(=O)Oc2ccccc2)ccc1C#N	0
CC(C)(CO)Nc1[nH]c2ccccc2[nH+]1	1
[NH3+][C@@H]1[C@@H](OCc2ccccc2)O[C@@H](CO)[C@H](O)[C@@H]1O	1
c1ccc(N2CC[NH2+]CC2)cc1	1
O=Cc1cc(Br)cs1	0
C[C@@H]1CCC[N@@H+](C[C@H](O)COCc2ccc(Cl)cc2)C1	1
O=Cc1sc(=O)[nH]c1-[n+]1ccccc1	1
Cc1ccc2c(C(=O)C[NH+](C)C)c(C)[nH]c2c1	1
CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C)c2)c1	0
COc1ccn(C)c(=O)c1C#N	0
Cc1csc(NC(=O)C[NH2+]C2CC2)n1	1
Cc1ccc(NN=C(C#N)C(N)=O)c(C)c1	0
CC(=O)N(c1ccc(C2CCCCC2)cc1)c1nc(C)cc(C)c1C#N	0
O=C1C=CC(=O)N1c1ccccc1N1CCCCC1	0
Cc1cccc(N2CC[NH2+]CC2)c1	1
S=C(NN=Cc1n[nH]cc1Br)Nc1ccccc1	0
COC(=O)c1[nH]c2ccccc2c1NC(=O)C[N@@H+](C)C1CCCCC1	1
CC1CC[NH+](CCNS(=O)(=O)c2cccc3cccnc23)CC1	1
COc1cc(C)nc(-n2cccn2)n1	0
CC[NH+]1CCC(N(CCO)Cc2ccccc2)CC1	1
O=[N+]([O-])c1cc2nc(Cl)[nH]c2cc1Cl	0
O=C1CNC(=O)N1Cc1ccccc1	0
C=Cc1cccc2c1S(=O)(=O)c1ccccc1O2	0
COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1OC	0
O=C1[C@@H](Cc2cnc[nH]2)NC(=S)N1c1ccccc1	0
Cc1ccc(NC(=O)c2ccccc2)s1	0
COc1ccc(-c2[nH+]cc3ccccn23)cc1OC	1
Brc1cnc(N2CC[NH2+]CC2)nc1	1
CCOC(=O)C1=C(C)N=C(SC)N(C)[C@@H]1c1ccccc1	0
O=C([O-])[C@H]1[NH2+]CCc2ccccc21	0
COC(=O)c1c(C)[nH]c(C(=O)C[NH+]2CCC(C)CC2)c1C	1
C[C@@H]1C[N@@H+](C)CCC1=O	1
Cc1cc2scnc2cc1NC(N)=[NH2+]	1
Cc1cn([C@@H]2C[C@@H]([NH3+])[C@H](CO)O2)c(=O)[nH]c1=O	1
CC(C)(C(=O)c1cccnc1)c1cccnc1	0
CC(C)(C)OC(=O)CC[NH3+]	1
CCC[NH+]1CCC(N2CCN(c3ccccn3)CC2)CC1	1
Cc1sc2ccccc2c1CC1=[NH+]CCN1	1
Cc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1	0
CCN1CCC([NH2+][C@@H](C)COC)CC1	1
N#CC(C#N)=c1ccc(=C(C#N)C#N)cc1	0
O=C1C=C(Nc2ccccc2)CO1	0
Cc1cccc(C)c1NC(=O)C1(NC(=O)c2ccn[nH]2)CCCCC1	0
O[C@@H]1CCC2C1C1CC[C@@H](O)C21	0
O=C1[N-]C(=S)NC1=Cc1ccc(Cl)cc1Cl	-1
CCc1nc2ccccc2[nH]1	0
CCOc1ccc(C(F)(F)F)cc1NC(C)=O	0
O=[N+]([O-])c1ccc(CN2CC[NH+](C[C@@H]3CC=CCC3)CC2)cc1	1
N#Cc1cnn(CC2CCCCC2)c1N	0
c1ccc2c(c1)OCO2	0
CN(C(=O)Cc1cccc2sccc12)[C@@H]1CCCC[C@H]1[NH+]1CCCC1	1
NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1	0
C[N@H+]1[C@H]2CC[C@@H]1CC(=NOC(=O)c1ccc(F)cc1)C2	1
COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1	0
COc1cc(C(=O)Nc2cccnc2)cc(OC)c1OC	0
COc1ccc(OC)c(Nc2cc(-c3ccccc3)nc(N)n2)c1	0
O=c1c2ccccc2c(=O)n2n1[C@@H]1C=C[C@H]2C1	0
CC(=O)c1cccc(Cl)c1O	0
O=C1Cc2ccccc2N1C1CC[NH2+]CC1	1
Nc1ccc(C(=O)[O-])cn1	-1
CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cccnc1	0
CCOC(=O)c1oc2ccccc2c1NC(=O)CC[NH+](CC)CC	1
CC[NH+](CC)CCn1c(OC)cc(=O)[nH]c1=O	1
CC(=O)c1cccc(NC(=O)C(F)(F)F)c1	0
CCOC(=O)c1c(N)sc(C)c1CC	0
Cc1cc(C)nc(N(C#N)CN2C(=O)c3ccccc3C2=O)n1	0
O=[N+]([O-])/C=C/c1ccccc1Cl	0
C[C@H](C[N@H+]1CCC[C@H](O)C1)c1ccccc1	1
NNS(=O)(=O)c1ccc(F)cc1	0
NC(=O)Cc1ccc(Br)cc1	0
CC[C@@H](C)C(=O)Nc1nccs1	0
CC1=[N+](C)C(C)(C)N(O)C1(C)C	1
Clc1nc(Nc2cccc3ccccc23)nc(N2CCOCC2)n1	0
CCOC(=O)c1cc(C#N)c(C)nc1N1CC[NH2+]CC1	1
NS(=O)(=O)Cc1ccccc1Cl	0
CN(C)C(=O)c1cccc(C(F)(F)F)c1	0
CCC[N@@H+](CCO)Cc1cc(Br)ccc1OC	1
NC(=O)C1CC[NH+](Cc2cccc(Br)c2)CC1	1
O=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1	0
C[C@@](O)(C#CC[NH+]1CCCCC1)C1CC1	1
C[C@@H]1CCCN(C(=O)Cn2c(-c3nonc3N)nc3ccccc32)C1	0
CC1(C)CC(Nc2noc(-c3ccccc3)n2)CC(C)(C)[NH2+]1	1
CC(C)CNC(=O)c1cccnc1	0
Cc1nnsc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1	1
c1ccc2c(c1)ncn2C[NH+]1CCCCC1	1
CCOC(=O)C1=C(O)C(=O)N(c2ccccc2)C1	0
CCS(=O)(=O)N1CCC[C@@H](C(=O)NCC[NH+]2CCCC2)C1	1
CCOC(=O)CC12CN(C)CC(CC(=O)OCC)(C[NH+](C)C1)C2=O	1
C[NH+](C)CC[C@](O)(c1ccccc1)c1cccnc1	1
Cn1nnc([C@H](O)C[NH+]2CCCCC2)n1	1
CCOC(=O)Nc1cccc2nsnc12	0
COc1cccc2c1Oc1cc([N+](=O)[O-])cc(C#N)c1C=C2	0
O=C(CN1C(=O)c2ccccc2C1=O)Nc1cccc(F)c1	0
O[C@@](C#CC[NH+]1CCCC1)(c1ccccc1)C1CCCC1	1
CC1CCC([NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1	1
C[C@@H]1C(=O)O[C@@]2(C)CC(C)(C)NC(=S)N12	0
CC(=O)Nc1nnc(CCS(=O)(=O)c2ccc(Cl)cc2)s1	0
NC(=O)C1CC[NH+](Cc2c(O)ccc3ccccc23)CC1	1
CC[NH+]1CCN(C(=S)c2cccc(O)c2)CC1	1
CC(C)N1C[C@@H](COc2ccccc2)OC1=O	0
CCC[N@H+]1[C@H]2CC[C@@H]1CC(OC(=O)c1ccc(OC)c(OC)c1)C2	1
O=[N+]([O-])N=C1N[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)N1	0
Cc1cccc(NC(=O)CNC(=O)OCc2ccccc2)c1	0
CC(=O)N1CCC(C(=O)NCc2c(-c3ccccc3)noc2C)CC1	0
Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)c2ccccc2)CC1	0
CCc1cc2c(N3CC[NH+](C)CC3)ncnc2s1	1
COC(=O)C1=C(C)NC(=O)N[C@@H]1[C@@H]1CC=CCC1	0
Cc1c(Cl)cc(F)cc1S(N)(=O)=O	0
CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@@H]1c1cccs1	0
O=C(OC[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cc2ccccc2oc1=O	1
COc1ccc(CN(CC[NH+](C)C)c2ncccn2)cc1	1
COc1cc2c(cc1O)C[N@@H+](C)CC2	1
C#CC(=O)N(C)[C@@H]1C[NH2+]C[C@H]1O	1
CC(=O)Nc1n[nH]c(SCC(C)C)n1	0
CN(C)c1nc2nonc2nc1Nc1cccc(Cl)c1	0
Cc1cccc(NCN2C(=O)CCC2=O)[nH+]1	1
CC(=O)Nc1cccs1	0
C[NH+](C)C[C@H](c1ccc(O)cc1)C1(O)CCCCC1	1
O=C(NC1Cc2ccccc2C1)c1ccc(F)cc1	0
Cc1ncccc1C(=O)N[C@H]1CCc2ccccc2C1	0
Cc1ccccc1OC[C@@H]1CN(C[NH+]2CCCCC2)C(=O)O1	1
Nc1ccncc1Cl	0
C=C(C)c1ccccc(=O)c1O	0
CCOc1ccc(C(=O)Nc2ccccc2OC)cc1	0
CS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1	0
CS(=O)(=O)N1CCc2ccccc2C1	0
CCc1ccccc1NC1=NS(=O)(=O)c2ccccc21	0
CCN(CC)C(=O)c1ccc(OC)cc1	0
OCc1cccs1	0
COCc1cc(C)nc2sc3c(c12)N[C@@H](c1ccco1)NC3=O	0
Cc1cccc(N2CCC(/[NH+]=C/N3CCCCC3)=N2)c1	1
CCCC1=NN(c2ccc(F)cc2)C(=O)C1=CNCC1CC[NH2+]CC1	1
CN1[C@H]2CC[C@@H]1CC([NH2+]C1CCCCC1)C2	1
OCc1cccc[n+]1Cc1ccccc1	1
CN(C/C=C/c1ccccc1)C1CC[NH+](C)CC1	1
O=Cc1c(Cl)nc2ccccn2c1=O	0
O[C@@H](Cn1ccc(C(F)(F)F)n1)C[NH+]1CCCC1	1
CCc1nc2ccccc2c(=O)n1N	0
COc1cc(C[N+](=O)c2ccccc2)ccc1O	1
O=C(CCc1ccccc1)N1CCCCCC1	0
O=c1oc2ccccc2c2n[nH]nc12	0
O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccncc1	0
C/C=C1/C[C@H](C)[C@](C)(O)C(=O)OC[C@@H]2CC[N@H+]3CC[C@H](OC1=O)[C@H]23	1
Cc1cc(C)n(-c2ccccc2[N+](=O)[O-])n1	0
Cc1ccc2c(c1)c1c3n2CC[NH2+][C@H]3CCC1	1
CC(=O)Oc1cc(C)cc2c1C1=C(CC[C@H](C)C1)C(C)(C)O2	0
Nc1ccc(Cl)cc1C(=O)C[C@H]([NH3+])C(=O)[O-]	0
O=C(OCC[NH+]1CCCCC1)C(O)(c1ccccc1)c1ccccc1	1
COC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(F)cc1	0
CCN1CCC([NH2+][C@@H](C)CCCC(C)(C)O)CC1	1
CCOC(=O)Nc1cccc(Cl)c1C	0
Cc1ncccc1OC[C@@H]1CCC[NH2+]1	1
O=C(Cc1ccccc1F)NC1=C(Cl)C(=O)c2ccccc2C1=O	0
Cc1cc(C)n(C(=O)c2c(F)cccc2F)n1	0
O=C(c1cccc([N+](=O)[O-])c1)n1cc(Cl)cn1	0
COC(=O)c1ccc(C[n+]2cc(-c3ccccc3)n3c2CCC3)cc1	1
C[NH2+][C@@H](C)[C@@H](O)c1ccc(NS(C)(=O)=O)cc1	1
Cc1nc2ccccc2c(=O)n1C	0
C[C@@H](C(=O)c1ccccc1)[NH+](C)C	1
COC(=O)[C@@H](C[NH3+])c1c[nH]c2ccc(OC)cc12	1
CCC[N@H+]1CCC[C@H](c2cccc(O)c2)C1	1
[NH3+]CCc1nc(-c2ccccc2)n[nH]1	1
Cc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\c1ccc(C)o1	0
O=C1c2ccccc2C(=O)N1CC1=NCCc2ccccc21	0
Cn1cnc([N+](=O)[O-])c1SC[C@@H](O)C[NH+]1CCCCC1	1
CC1=C(C#N)C(=O)N(C)C(=O)C1=C[NH2+]Nc1ccc(C)c(C)c1	1
CC(C)NC(=O)C1CC[NH+](C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)CC1	2
CCn1c(=O)c(NC)nc2ccccc21	0
Cc1ccc(S(=O)(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1	0
CCOC(=O)c1ccc(C[NH3+])o1	1
O=C(CSc1nc2ccccc2s1)Nc1ccc(Cl)cn1	0
Clc1ccc2nc(CSc3nc4ccccn4n3)cn2c1	0
Cc1nn(-c2ccccc2)c(C)c1/N=C/c1c(O)ccc2ccccc12	0
O=C([O-])CCc1nc2ccccc2[nH]1	-1
O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)Oc1ccccc1	0
COc1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1	0
c1ccc(-c2ncc[nH]2)cc1	0
C[NH+](C)CCOc1ccccc1Cc1ccccc1	1
C[C@@H]([NH3+])[C@@H](O)c1ccccc1	1
CCOC(=O)c1[nH]cc(C)c1-c1ccccc1	0
C[NH+](C)CCNC(N)=S	1
CC1(C)C[C@@]2(CCC[NH2+]C2)CCO1	1
CCOC(=O)[C@@H]1CNC(=O)C[C@@H]1C(=O)OCC	0
O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(F)cc1	0
C[C@@H](O)c1nc2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	0
Cc1c(N)cccc1Cl	0
Cc1ccc(NC(=O)N2CCOCC2)cc1NC(=O)N1CCOCC1	0
O=C(N[C@@H]1CCSC1=O)c1ccccc1	0
NC(=[NH2+])NN=Cc1ccccc1[N+](=O)[O-]	1
C[C@@H]([NH3+])C(=O)Nc1ccc2ccccc2c1	1
NC(=[NH2+])NN=Cc1ccc([N+](=O)[O-])cc1	1
COc1cc[nH+]c(NN)n1	1
CC(C)(C)OC(=O)Nc1cccc(C[NH3+])c1	1
NC(=O)c1cc2cc(Br)cc(Br)c2oc1=O	0
O=C(Cn1nc(COc2ccc(Cl)cc2Cl)oc1=S)c1ccc(F)cc1	0
C[C@@H](O)CNc1[nH+]c2ccccc2n1C	1
Cn1cccc1C[NH2+]Cc1cccnc1	1
C[NH+]1CCN(c2ccc(N)cc2F)CC1	1
CCOC(=O)C1=C(C)NC(C)=CC1=C(C#N)C#N	0
CCOC(=O)[C@H]1C(=S)NC(N)=C(C#N)C12CCCCC2	0
NC(=O)c1ccc[n+](Cc2cccc3ccccc23)c1	1
CCOC(=O)/C(C#N)=C\c1cc([N+](=O)[O-])c(CC)s1	0
Nc1n[nH]c(C(=O)N2CCCCC2)n1	0
Cc1nnc(NC2CCCC2)s1	0
Cc1ccc(N2C=NNC(=O)C2)cc1C	0
CCc1c(C)[nH]c(C)c1C(=O)OC	0
NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	0
c1ccc(CCN2CCC([NH+]3CCCC3)CC2)cc1	1
CCCN1CCC([NH+]2CCCC2)CC1	1
O=C(CCC[NH+]1CCN(c2ccc(F)cc2)CC1)N[C@@H]1c2ccccc2CSc2ccccc21	1
CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)C[NH2+]C	1
Cc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)nc(C)c2c1	0
CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(C)c(OC)cc1C	1
Cc1ccc(S(=O)(=O)N/N=C2\C[C@@H]3CC[C@@]2(C)C3(C)C)cc1	0
NC(=[NH2+])Nc1nc2ccc(Cl)cc2[nH]1	1
CCOc1ccc(C[NH3+])cc1	1
O=Cc1cc2ccccc2o1	0
NC(=O)Cc1nc(=O)c2ccccc2s1	0
[NH3+]Cc1nc2ccccc2s1	1
Clc1ccc2c(N3CC[NH2+]CC3)ccnc2c1	1
O=Cc1coc2ccccc2c1=O	0
N#Cc1ccc(C(=O)CC2CC[NH+](CC3CC3)CC2)cc1	1
CCc1cc(C#N)ccc1C#N	0
C[n+]1cccc2[nH]c(=O)[nH]c21	1
C[C@@H]([NH3+])C(=O)N1CCCCC1	1
C1CC[NH+](C2CCNCC2)CC1	1
COc1cnc(SC)[nH+]c1NN	1
C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH3+]	1
CCOC(=O)c1[nH]c2ccc(OCc3ccccc3)cc2c1C	0
NC(=O)C1CC[NH+](C/C=C/c2ccccc2)CC1	1
CCOC(=O)C1CCN(C(=O)COc2ccc(C(C)(C)C)cc2)CC1	0
COc1ccc2c(c1)CC[N@@H+]1C[C@H]3CCCN(S(C)(=O)=O)[C@H]3C[C@@H]21	1
O=S(=O)(c1ccccc1)c1cc(O)ccc1O	0
Nc1cc(N)cc(N)c1	0
N#CCC(=O)N1CCCCC1	0
O=C(Nc1cccc(Cl)c1)C12CC[NH+](CC1)Cc1ccccc12	1
CC1CCC(NC(=O)c2cc3ccccc3o2)CC1	0
COC(=O)c1ccc(Cl)cc1OC(=O)c1ccccc1	0
O=C1N[C@@H]2NC(=O)N(c3ccccc3)[C@H]2N1	0
Cc1cc([C@@H]2CCC[NH2+]2)on1	1
COC(=O)c1ccc(OC(=O)c2cc(Cl)ccc2OC)cc1	0
OCC[NH+]1CCN(CC/C=C2/c3ccccc3Sc3ccc(Cl)cc32)CC1	1
NC(=O)C1([NH3+])CCS(=O)(=O)CC1	1
CC1(C)C[N+](=O)C(C)(C)N1O	1
CC(=O)N1c2ccccc2[C@@H](C)CC1(C)C	0
COC(=O)c1cccnc1	0
CN1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N)CC1	0
Cn1c(=O)[nH]c(=O)c2c1nc1n2C[C@@H](c2ccc(Cl)cc2)O1	0
C[C@@]12CCC3=C(CCc4cc(O)ccc43)[C@H]1CCC2=O	0
CC(=O)Nc1c2sscc-2[nH]c1=O	0
C=C[C@@]1(O)Cc2ccccc2C1=O	0
Cc1nnc(NC(=O)Cn2ccnc2)s1	0
NC(=O)CNC(=O)c1cccc(Cl)c1	0
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2ccc(O)cc12	0
COc1ccc2[nH]cc(CCNS(=O)(=O)c3ccc(C)cc3)c2c1	0
CC(=O)O[C@H](c1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl	0
O=C1CCc2cc3c(cc2O1)OC(=O)CC3	0
O=C(c1ccccc1)[C@@H](O)c1ccccc1	0
C[N@H+]1[C@H]2CC[C@@H]1CC(OC(=O)c1ccc(Cl)cc1)C2	1
CC[NH+]1CCN(c2cc(SC(C)C)nc(-c3ccc(OC)cc3)n2)CC1	1
N#CC(C#N)=Cc1ccc(F)cc1	0
C[C@@H]([NH2+]CC1OCc2ccccc2CO1)c1ccccc1	1
O=[N+]([O-])c1ccc(C2OCCO2)cc1	0
CCOC(=O)c1ccc(C[N+]2(C)CCOCC2)o1	1
CCCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3C)sc2c1	0
CCOC(=O)[C@H]1[C@H](c2ccco2)[C@@H](C(=O)OCC)C(=O)C[C@@]1(C)O	0
COc1ccc(N(C)C(=O)CCN2C(=S)NC(C)(C)C[C@@H]2C)cc1	0
CC(C)c1ccc(-c2csc(N)n2)cc1	0
CC(=O)O[C@@]1(c2ccccc2)C[C@H](C)C[N@H+](C)C1	1
CC1(C)C[C@@H](C(N)=O)C(C)(C)[NH2+]1	1
COC(=O)c1cc(Br)cc(Br)c1N	0
Cn1c(=O)[nH]c(=O)c2c1ncn2CCNC1=[NH+]CCCCC1	1
Cc1ccc(CSC(N)=[NH2+])cc1	1
C[C@@H]1[NH2+][C@@H](C(=O)[O-])Cc2c1[nH]c1ccccc21	0
CC(C)(C)[NH2+]CC(=O)c1c[nH]c2ccccc12	1
COc1cc(OC)cc(C(=O)N2CC[NH+](C)CC2)c1	1
COc1c2c(cc3c1[C@@H](C#CC[NH+]1CCCC1)N(C)CC3)OCO2	1
CC(=O)Oc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1	0
C[N@H+]1[C@H]2CC[C@@H]1CC(NC(=O)Nc1ccc(Br)cc1)C2	1
O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccccc1F	0
Cc1cc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)no1	0
C[N@H+]1[C@H]2CC[C@@H]1CC(NC(=O)Nc1ccc(F)cc1F)C2	1
CC(C)(C)OC(=O)CC[NH+]1CCC(C(N)=O)CC1	1
O=c1[nH]c(-c2ccccc2)nn1-c1ccccc1Cl	0
C[N+](C)(C)Cc1ccc([N+](=O)[O-])cc1O	1
C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2[N+](=O)[O-])N3)C1	1
CC(=O)Nc1ccc2sc(C)[n+](CCO)c2c1	1
OCC[n+]1ccsc1	1
CC1=CC(C)(C)N(C(=O)CSc2nccn2C)c2cc(C)ccc21	0
CC(C)CCNC(=O)Cc1cccs1	0
COc1ccc(Cl)cc1C(=O)Nc1ccc(C#N)cc1	0
CCOC(=O)c1cc[n+](Cc2ccc3nsnc3c2)cc1	1
CN(C)OC(=O)c1ccc[n+]2ccn(C)c12	1
CN(C)C(=O)OCCc1n(C)cc[n+]1C	1
CNC(=O)OCc1n(C)cc[n+]1C	1
O=C1C(=Cc2ccc(Br)o2)C(=O)c2ccccc21	0
O=C(NCC1CC1)c1cc2ccccc2oc1=O	0
Cc1cc(O[C@@H](C)c2nc(-c3nonc3N)no2)ccc1Cl	0
COc1ccc(C(=O)NCC(N)=O)cc1	0
Cn1c(SCc2ccccc2F)nc2ccccc2c1=O	0
O=c1nc[nH]c2scc(-c3ccccc3Cl)c12	0
Cc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)c(C)c1	0
Cc1ccc2c(NC(=O)C3CC3)c(C)ccc2n1	0
[NH3+]C[C@@H](c1ccccc1)c1c[nH]c2ccccc12	1
COc1ccc([N+]2=C3CCCCN3C[C@@]2(O)c2ccc(F)cc2)cc1	1
CC(=O)N1CCC(C(=O)Nc2ccc3nc(C)ccc3c2)CC1	0
Cc1cnc2c3c(nccc13)C(=O)c1ccccc1-2	0
COc1ccccc1-c1nn(C)c2ccccc12	0
CC1(C)[C@@H]2CC(=O)[C@@](C)(O)[C@H]1C2	0
Cc1cc(N)c2ccccc2[nH+]1	1
Cn1nc(-c2ccc(F)cc2)c2ccccc21	0
Cn1c(COc2ccccc2O)[n+](C)c2ccccc21	1
CN(N)C(=[NH2+])c1ccccc1	1
O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCCC3)n2)c1	1
COc1ccc(OC)c(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1	0
c1cc[n+]2cccnc2c1	1
COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(OC)cc1	0
CC(=O)C(=Cc1ccc(O)cc1)C(C)=O	0
COc1ccc(C=C(C(C)=O)C(C)=O)cc1	0
CCOC(=O)C(Sc1nc(-c2ccc(Cl)cc2)n[nH]1)=C(C)O	0
NC(=O)[C@@H]1CCC[NH2+]1	1
C[C@H]1CC(=O)NN=C1c1cccs1	0
Cn1c(CN)nc2ccccc21	0
N#CN1CC[C@H](NS(=O)(=O)c2ccccc2)C1	0
COc1ccc([C@H](O)c2nc3ccccc3n2C(C)C)cc1	0
Cc1cc(C(C)(C)C)cc(C)c1CC1=[NH+]CCN1	1
N#Cc1cc(N)ccc1Br	0
O=C1Cc2ccccc2N1c1ccccc1	0
CC(C)(C)c1ccc(N)c(N)c1	0
Cc1ccc(C(=O)O/N=C(\c2nonc2N)N2CCOCC2)cc1	0
Cn1c(N)[nH+]c2ccccc21	1
CCOC(=O)c1ncn2c1COc1cc(F)ccc1-2	0
CCCN(Cc1ccccc1)C(=O)c1ccc2nc(C)c(C)nc2c1	0
CC(C)(C)[C@@]1(O)C=C(C(F)(F)F)NN1C(=O)c1ccccc1F	0
CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC(C[NH+]3CCCC3)CC2)C1	2
C[NH+]1CCN(c2cc(=O)n(-c3ccc(Cl)cc3)c(=O)[nH]2)CC1	1
N#Cc1c(NC(=O)CSC2=NCCS2)sc2c1CCCC2	0
COC(=O)C1CC[NH2+]CC1	1
Nc1ccccc1-n1cccc1	0
CC(C)c1ccc(NC(=S)NC(N)=[NH2+])cc1	1
COC(=O)C(C(=O)OC)[C@@H](Nc1ccccc1)c1ccccc1	0
Cc1nc(N)sc1CC[NH3+]	1
Cc1cc(N)ccc1F	0
O=C(Nc1ccc2c(c1)OCO2)c1ccco1	0
Cc1c2cccc([N+](=O)[O-])c2cc[n+]1C	1
O=C(COc1ccc(Cl)cc1Cl)Nc1nccs1	0
COc1ccc2c(ccc[n+]2C)c1	1
[NH2+]=C1N[C@H](c2ccccc2)Nc2ccccc21	1
C[C@@H]1CCc2[nH]c3ccccc3c(=O)c2C1	0
[NH3+]CC1(CC(=O)[O-])CCCCC1	0
CC[NH+](CC)CCCN1c2ccccc2Sc2ccc(Cl)cc21	1
CC(C)NC(=[NH2+])NC(=N)Nc1ccc(Cl)c(Cl)c1	1
O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2cccnc12	0
COc1ccc(C(=O)C=CNc2ccc(Oc3ccccc3)cc2)cc1	0
CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCC[N@@H+]2CC)c1O	1
CCN(Cc1ccccc1)S(C)(=O)=O	0
C[C@H]1CC[C@@H](O)C[C@@H]1C	0
O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1	0
O=C(/C=C/c1ccccc1)Nc1nccs1	0
C[NH+](C)CCc1c[nH]c2ccc(Cn3cncn3)cc12	1
O=C1CCC(C(F)(F)F)CC1	0
Cc1ccccc1C[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1	1
OC[C@@H]1CCC[N@H+]1C1C2CC3CC(C2)CC1C3	1
CCOC(=O)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1	1
O=C1NCC[C@H]1NCc1ccc(OCc2cccc(F)c2)cc1	0
C=CC[N+]1(CC#CC(C)(C)O)CCOCC1	1
CC1=C(C(=O)O[C@@H](C)C(C)(C)C)[C@@H](c2ccccc2)NC(=O)N1	0
CC[NH2+][C@H](Cc1ccccn1)c1sccc1C	1
CC[NH+]1CCN(c2ncnc3c2cnn3-c2cccc(C)c2)CC1	1
COc1ccc2c(C)cc(=O)oc2c1	0
COC(=O)[C@H]1C(=O)NC(SC)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-]	0
COc1ccc(-n2cnnn2)cc1	0
COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccccc1OC	0
C[NH2+][C@H](Cc1ccccc1N)c1sccc1C	1
CCC(=O)c1ccc2c(c1)N(C[C@H](C)[NH+](C)C)c1ccccc1S2	1
CCOC(=O)N1CCN(c2nc3ccccc3n2C)CC1	0
CC[C@H](OC(N)=O)C1CCCCC1	0
O=C1NCCO[C@@H]2CCC[NH2+][C@@H]12	1
CC1(C)CC(NC(=O)c2cncc(Br)c2)CC(C)(C)[NH2+]1	1
COc1ccccc1N(CC(N)=O)S(=O)(=O)c1ccccc1	0
CCOC(=O)c1c(C[NH+](C)C)n(C)c2ccc(OC(C)=O)cc12	1
C[C@H]1C[C@@H](C)C[N@@H+](Cc2nc(N)nc(Nc3ccccc3)n2)C1	1
O[C@]1(c2ccc(Cl)cc2)c2ccccc2C2=NCCN21	0
COc1ccc([C@@H]2NC(=O)O[C@@H]2CO)cc1	0
CCOC(=O)c1ccc(C[NH3+])cc1	1
Cc1ccc(S(=O)(=O)CCc2ccncc2)cc1	0
O=C1C=C(NCc2ccccc2)C2(CCCCC2)O1	0
COc1ccc(CCN(C)C(=S)NN)cc1OC	0
CCOC(=O)c1c(NC(=O)c2cnccn2)sc2c1CCC2	0
Cc1ccc2c(c1)N(c1ncnc3[nH]ccc13)CC2	0
O=C(C[C@@H]1[NH2+][C@H]2CCCC[C@@H]2NC1=O)Nc1ccc(F)cc1	1
COc1ccc2cc(C(C)=O)cc(CCNC(=O)C3CC3)c2c1	0
COc1cccc(OC)c1C(=O)c1cc[n+](C)cc1	1
C[NH+](C)CC#CC1(O)CCCCC1	1
c1ccc2c(c1)CCO[C@@H]2C1=[NH+]CCN1	1
Cc1ccc(NC(=O)C[C@@H]([NH2+]Cc2ccccc2)C(=O)[O-])cc1Cl	0
C[C@@](O)(C#CC(O)(c1ccccc1)c1ccccc1)c1cccs1	0
COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)cc1)[N+](C)(C)CC2	1
C[NH+]1CCN(/N=C/c2ccc(Cl)cc2)CC1	1
[NH2+]=C1c2ccccc2CN1CC(F)(F)F	1
Cc1cc(NC(=O)c2ccco2)no1	0
CC[C@@H](O)C#CC[NH+]1CCCCC1	1
Brc1ccc(-c2noc([C@H]3CCC[NH2+]C3)n2)cc1	1
Cc1ccc(OC[C@@H](O)C[NH2+]C(C)C)cc1	1
CC(=O)N1CCC[C@H]1C#CC[NH+](C)C	1
Cc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1[N+](=O)[O-]	0
Fc1cccc(Cl)c1COc1ccc(/C=N/n2cnnc2)cc1	0
O=C([O-])[C@@H]1CC(=O)N(C2CCCC2)C1	-1
N#CC[C@@]1(C#N)CCc2ccccc21	0
Cc1cc(C)c2[nH+]c(C)cc(Nc3ccc(Br)cc3)c2c1	1
O=C1CN(c2ccccc2)C(=O)N1	0
O=c1cc(-c2ccc(Cl)cc2)[nH][nH]1	0
CC[NH+]1CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1	1
CCOC(=O)c1c(C)nc2cc(C)ccn12	0
C[NH+](C)CCNC(=O)Nc1ccc(Cl)c(Cl)c1	1
C[n+]1cnc2n(Cc3ccccc3)cnc(N)c1-2	1
CCOC(=O)C[NH+]1CCC(Cc2ccccc2)CC1	1
COc1nc(NN)[nH+]c(N2CCCCC2)n1	1
O=C1C[C@@H]2OCC=C3C[N@H+]4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46	1
Cc1ccc2[nH]c(CC[NH3+])cc2c1	1
O=C(C#Cc1ccco1)c1ccccc1	0
O=c1[nH]c2cccc(F)c2c(=O)o1	0
c1ccc(C[NH2+]C[C@@H]2CCCO2)nc1	1
CC(C)C[C@@H]([NH3+])CO	1
O=C(Cn1nnc(-c2ccccc2)n1)OCc1ccc([N+](=O)[O-])cc1	0
Cc1cc(O)c(-c2cc[nH]n2)c(=O)o1	0
OCC[NH+]1CCOCCOCCOCC1	1
O=C1CNC(=O)C1=CNNc1ccccc1	0
CNC(=S)[C@]1(c2cccnc2)CCCCC1=O	0
CC(=O)c1[nH]c(C)cc1C	0
CC(=O)Nc1cccc(C(F)(F)F)c1	0
N#Cc1nc(-c2ccccc2)cnc1N	0
Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc(C(F)(F)F)c1	0
Nc1c(-[n+]2ccccc2)c(=O)[nH]c2ccccc12	1
O=C(c1cccnc1)N1CC[NH+](C2CCCC2)CC1	1
[NH3+]CCC12C[C@@H]3C[C@H](C1)CC(C(=O)[O-])(C3)C2	0
CC(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21	0
Cc1cc(N2CCN(C)CC2)nc(N2CCOCC2)[nH+]1	1
CCc1cccc(C)c1NC(=O)CN1C(=O)c2ccccc2C1=O	0
NC(=[NH2+])NCc1ccccc1Br	1
CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(-c2csnn2)cc1	1
O=Cc1ccc2ccccc2n1	0
OCc1ccc2ccccc2n1	0
CCOC(=O)c1c(NC(=S)N2CC[NH+](C)CC2)sc(C)c1C	1
O=[N+]([O-])c1ccc(-c2nnn(CC[NH+]3CCCCC3)n2)cc1	1
O=c1[nH]c2ccccc2n1C1CC[NH+](CCCc2noc3cc(F)ccc23)CC1	1
CNc1cc(OC)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1Cl	1
Cc1noc([C@H]2C[C@H]3CC[C@@H]2[NH2+]3)n1	1
Cc1ccccc1Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1	0
CC(C)Oc1ccc([C@@H](C[NH3+])CC(N)=O)cc1	1
Cc1ccc(F)c(C2=[NH+]CCN2)c1	1
CC(C)C[C@H](C[NH3+])CC(=O)[O-]	0
CC1(C)OC(=O)N2Cc3cccc[n+]3C[C@@]21O	1
CC[NH+]1CCN(c2nc(C)nc3c2sc(=S)n3C)CC1	1
CCOC(=O)N1CC[NH2+]CC1	1
C[N+]1(C)CCN(c2ccccc2)CC1	1
C[NH+](C)CCC(=O)c1ccc2c(c1)OCO2	1
CN(C)c1ccc(/C=[NH+]/N)cc1	1
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1	0
Cn1c(C[NH+](C)C)c(C#N)c2ccccc21	1
CCc1cc(=O)oc2cc(O)ccc12	0
CNC(=O)NC(=O)c1cnccc1C(F)(F)F	0
Cc1ccccc1C1(C#N)CC[NH2+]CC1	1
COC(=O)C1(c2ccccc2Cl)CC[NH2+]CC1	1
CC1(C)C(=O)C(C)(C)C1O	0
C[C@@H]1SC(=[NH2+])N[C@H]1Cc1ccncc1	1
CCC(Br)(CC)C(=O)NC(N)=O	0
CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1	0
Cc1ccc2ncoc2c1	0
Cc1ccc(Sc2nc3c(C)cccn3c(=O)c2/C=N/O)cc1	0
CC[NH+](CC)C[C@@H](O)CNC1=NS(=O)(=O)c2ccccc21	1
Clc1c(CSc2nnnn2-c2ccccc2)nc2ccccn12	0
C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCCCC1	1
Cc1ccoc1C(=O)N1CC[NH2+]CC1	1
CC(=O)Nc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1	1
C[NH+]1CCN(C(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1	1
CN(C)c1ccc(C[N@H+]2CCC[C@@H](O)C2)cc1	1
CS(=O)(=O)N1CC[NH+](C2CCCCCC2)CC1	1
Nc1cc(N)[nH+]c(SCc2ccc(C(=O)N3CCOCC3)cc2)n1	1
Oc1ccc2[nH]cc([C@H]3C[NH+]4CCC3CC4)c2c1	1
CC[NH+](CC)CCOc1ccc2nc(N(C)C)sc2c1	1
Cc1cc(NC(=O)c2ccsc2)cc(C)c1O	0
Cc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)c1ccco1)CC(=O)N2	0
Cc1cc(=O)c2ccc([O-])cc2o1	-1
Clc1ccc(OC[C@@H]2CC[NH2+]2)cn1	1
C[N+](C)(C)CC[C@@H](O)c1ccccc1	1
CN1CCN2c3ccccc3Cn3cccc3[C@@H]2C1	0
CC(=O)Nc1cc2ncnc(NCc3ccccc3)c2cn1	0
Cc1cc(C(=O)NCc2cc(C(=O)[O-])co2)c(C)o1	-1
Cc1ccc2c(c1)[C@@](O)(CC(=O)c1ccc3c(c1)CCCC3)C(=O)N2	0
NC(=O)c1ccccc1NC(=O)c1cccc(Br)c1	0
O=c1c2ccccc2ncn1C[C@H](O)C[NH2+]C1CCCCC1	1
CN(Cc1ccccc1)C(=O)c1ccc(F)cc1	0
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCc1ccccc1	0
C[N+](C)(N)Cc1csc(-c2ccc(Cl)cc2)n1	1
CCN(CC)C(=O)[n+]1ccc(N)cc1	1
COc1cc2c(cc1OC)CC(C)(C)[N+](C)=C2	1
COC(=O)c1csc(C(=O)OC)c1C	0
Cn1c(C[n+]2ccccc2)nc2ccccc21	1
O=C1C=C2C3CC[NH+](CC3)[C@@H]2CC1	1
Cc1cc(C(F)(F)F)nc(=S)[nH]1	0
Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCCC1	1
Cc1ccc2c(C)[n+](C)ccn12	1
CC[N+]1=C(C)c2ccc(C)n2CC1	1
Cc1c(F)c(F)c(NN)c(F)c1F	0
Cn1cc(/C=C2/NC(=S)NC2=O)c2ccccc21	0
COc1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1O	1
CN(C)c1cccc2c(S(N)(=O)=O)cccc12	0
C=C=C(n1cccc1)C(C)(C)O	0
Fc1ccc(C[N@H+]2CCCN(C(=S)NC3CCCCC3)CC2)cc1	1
COc1cccc(-c2[nH+]c3ccc(Cl)cn3c2NC(C)(C)C)c1	1
COc1cc(C(=O)NC(=S)Nc2ccccc2)cc(OC)c1OC	0
CCOC(=O)N1CCN(C(=O)c2cccs2)CC1	0
C=CCN(CC=C)C(=O)c1cccs1	0
O=C(NCCc1c[nH]c2ccccc12)C1=Cc2ccncc2CC1	0
Cc1cc(OCC(=O)NCc2ccccn2)cc(C)c1Br	0
c1ccc2c(c1)CCC2=NNC1=[NH+]CCN1	1
COc1ccc(-c2csnn2)cc1S(=O)(=O)Nc1ccccc1	0
Cc1c(Cl)ccc(N)c1Cl	0
COC(=O)/C(C#N)=C/c1ccc(OC)cc1	0
C[C@@H]1CN(C(=O)Cc2cccs2)C[C@@H](C)O1	0
CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1ccccc1	0
O=C(N[C@@H](n1cnccc1=O)C(Cl)(Cl)Cl)c1ccccc1	0
FC(F)(F)c1cc(NCC[C@@H]2CCCC[NH2+]2)cc(C(F)(F)F)c1	1
CCOC(=O)c1cc(C(C)(C)C)oc1C[NH3+]	1
NN1C(=O)c2ccccc2C1=O	0
CC[NH+](CC)CC(=O)N1CCCc2c1c(=O)oc1ccc(O)cc21	1
Oc1ccccc1/N=C/c1ccccc1F	0
O=C1NCCN(c2ccccn2)N1	0
CCOC(=O)c1[nH]c(C)c(C[NH2+]Cc2ccco2)c1C	1
O=C1COc2ccc(C(=O)NCc3ccco3)cc2N1	0
Nc1ccc(-n2cncn2)cc1	0
COc1ccc(-c2cc3cc(C)c(C#N)c(N4CCCC4)n3c2)cc1	0
Cn1nnc2cc(C[NH3+])ccc21	1
NC(=O)c1cn(Cc2c(F)cccc2F)cn1	0
CC(=O)c1ccc([O-])c2nsnc12	-1
Cc1ccccc1OC[C@H](O)CO	0
CCn1c(Cc2ccccc2)nnc1SCc1ccc(Cl)cc1	0
CS(=O)(=O)c1ccc(C[NH3+])cc1	1
Cc1ccc(C(=O)NC2CCCCC2)cc1C	0
Cc1cc(NC=C2C(=O)CCCC2=O)no1	0
Cc1cc(C)c(-n2cccc2C[NH3+])c(C)c1	1
CCOc1ccccc1N1CCN(C(=O)c2ccccc2C)CC1	0
O=C(NC1CC1)c1cc(-c2ccccc2)nc2ccccc12	0
Cc1cc2cc([N+](=O)[O-])ccc2[nH]1	0
O=C(NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(Cl)c1	0
O=c1[nH]c2ccccc2n1C1CCN(CCOc2ccccc2)CC1	0
c1ccc(C[NH+]2CCC3(CC2)OCCO3)cc1	1
C1=CC[C@@H](C[NH+]2CCN(c3ncccn3)CC2)CC1	1
C(=C1CC[NH2+]CC1)c1c[nH]cn1	1
Cc1ccc(S(=O)(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1	0
CC(C)CNC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1	1
CCOC(=O)[C@@H]1CCCCN1C1CC[NH+](C)CC1	1
CC(=O)c1ccc(C#N)c(=S)[nH]1	0
O=[N+]([O-])c1ccc([C@@H]2[NH2+]CC[C@@]3(O)CCCC[C@@H]23)cc1	1
Cn1c(-c2ccc(C=NNC(N)=[NH2+])cc2)c[n+]2ccccc12	2
N#Cc1ccccc1NCn1nnc2ccccc21	0
[NH3+]CC1CCC(C(=O)Nc2ccccn2)CC1	1
Cn1c[n+](C)ccc1=O	1
CC[NH+](CC)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	1
COc1ccc(OC)c(NC(=O)COc2ccc(C)c(C)c2)c1	0
C[N@H+]1CC[C@@](O)(c2cccc(Cl)n2)C1	1
COc1ccccc1C[C@H]1/C(=N/O)C2CC[NH+]1CC2	1
COC[C@@H]([NH3+])Cc1ccccc1	1
O=c1c(Cl)c(N2CC[NH2+]CC2)cnn1-c1ccccc1	1
Cn1ncc(Cl)c1-c1nc2ccccc2[nH]1	0
c1coc(C[NH2+]C[C@@H]2CCCO2)c1	1
FC(F)(F)c1nc(-c2nonc2Nc2ccccc2)no1	0
Cc1c(N)cc[n+](C)c1C	1
S=C(SN1CCOCC1)N1CCOCC1	0
O=[S@](c1nc2ccccc2s1)N1CCOCC1	0
CC1(C)CC(NSc2nc3ccccc3s2)CC(C)(C)[NH2+]1	1
CSc1nc(N)c(C#N)s1	0
Cc1cc(Cl)nc(N)n1	0
Cc1cc(C)n(NC(=S)NCc2cccs2)c(=O)c1C#N	0
O=C(O[C@@H]1C[NH+]2CCC1CC2)[C@@H]1COc2ccccc2O1	1
CCN1C(=O)C[C@H]([NH+]2CCC(Cc3ccccc3)CC2)C1=O	1
O=C(Nc1cccnc1)[C@@H]1CCCS1	0
Cc1cc(NC(=O)/C=C/c2ccco2)ccc1NC(=O)c1ccccc1	0
COC(=O)c1ccc(Cn2c(C)cc(C)[n+]2C)o1	1
COc1ccc(/C=N/c2ccccc2C(=O)c2ccccc2)cc1O	0
COc1cc(OC)cc(C2=[NH+]CCN2)c1	1
C[NH+]1CCN(c2cc3c(cc2N)c(=O)c(C(=O)[O-])cn3C2CC2)CC1	0
O[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1	1
O=C(Nc1ccc2c(c1)C(=O)NC2=O)c1ccco1	0
Cc1c(N2CC[NH2+]CC2)c(N)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c12	0
C[C@@H](Cc1ccccc1)NC(=O)c1cccnc1	0
C[NH+](C)CC[C@@H](c1ccccc1)c1ccccn1	1
Cn1c(=O)n(C)c2cc(/N=C/c3c(O)ccc4ccccc34)ccc21	0
CC(=O)CC[NH+]1CCCCC1	1
C[C@H]1[NH2+]CCO[C@@H]1c1ccccc1	1
C[N+]1(C[C@@H]2CO[C@H](C[N+]3(C)CCOCC3)CO2)CCOCC1	2
C[C@@H](c1ccc(-c2ccccc2)o1)N(O)C(N)=O	0
Cc1nc(-c2cc(C(C)(C)C)c3c(c2)C(C)(C)CO3)no1	0
CC(C)(C)c1cc(-c2cn3ccsc3n2)cc2c1OCC2(C)C	0
NC(=O)N(O)C/C=C/c1ccoc1	0
Cc1ccc(S(=O)(=O)N=C([O-])NC2CCCCCCC2)cc1	-1
CN1C(=O)/C(=N\NS(=O)(=O)c2ccccc2)c2ccccc21	0
Nc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)C[N@@H+](Cc2ccccc2)C3)cc1	1
NC(=[NH2+])NCCn1ccc2ccccc21	1
Nc1nccc[n+]1Cc1ccccc1	1
Cc1cc(C)[n+]2nc(N)c3ccccc3c2n1	1
CC[NH+](CC)C[C@@H](O)CN1C(=O)NC(C)(C)C1=O	1
O=c1[n-]c(=O)c(N2CCCCCC2)n[nH]1	-1
O[C@@H](COCc1ccccc1F)C[NH+]1CCCCC1	1
S=C(NCCc1ccccc1)N/N=C/c1ccc2c(c1)OCO2	0
COc1cc(NC(=O)CCOc2ccc(F)cc2)cc(OC)c1OC	0
Fc1ccc(CSc2ncnc3[nH]cnc23)c2ccccc12	0
Cc1cc(C)nc(SCC[NH+](C)C)n1	1
C[N+]1(C[C@@H]2Cc3ccccc3O2)CCOCC1	1
COc1ccc(C(=O)NCC[NH+](C)C)cc1OC	1
C[N+]1(C[C@@H](O)CN2CCCC2=O)CCOCC1	1
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CC3)cc2)cc1	0
CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2F)C1	1
O=C1CN(C(=O)C2CC[NH2+]CC2)CCN1	1
C[C@@H](c1ccc2ccccc2c1)N(O)C(N)=O	0
C[C@@H]1CC(C)(C)O[C@@H](C(C)(C)C[NH+](C)C)O1	1
Cc1noc(N)c1C(N)=S	0
Cc1cc(Nc2cccc(N(C)C)c2)n2c(nc3ccccc32)c1C#N	0
CC1=C(Nc2ccc(C3=NNC(=O)C[C@@H]3C)cc2)CCC1=O	0
Cc1cc(C)n(-c2ccc(NN)[nH+]n2)n1	1
CC1(C)CN(C(=O)C2(O)C[NH2+]C2)CCO1	1
O=C1N[C@H]2CCC(=O)N2[C@@H]1Cc1ccccc1	0
O=C(Cc1nn[nH]n1)Nc1ccc(F)cc1	0
c1cc(-c2ccncc2)ccn1	0
Cc1ccc(NC(=S)N2CC[NH+](C)CC2)cc1	1
c1cc(C[NH2+]Cc2ccc3c(c2)OCO3)ccn1	1
Cc1cc2nc(C[n+]3cccc(C(N)=O)c3)[nH]c2cc1C	1
COc1cccnc1NC(=O)NC1C[C@@H]2CC[C@H](C1)[N@H+]2C	1
CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)OCC(=O)c1ccccc1	0
CC(=O)Nc1nnc(Cc2c[nH]c3ccccc23)s1	0
NC(=S)N/N=C/c1cc([N+](=O)[O-])ccc1[O-]	-1
CN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1	1
CC1=CC=C[C@@H](C)C(=O)N1	0
O[C@H](C[NH2+]Cc1ccc2c(c1)OCO2)CSc1cccs1	1
COC(=O)C1=CN(C2CC2)C=C(C(=O)OC)C1c1ccccc1OC	0
C[NH+]1CCC(OC(=O)c2cc3ccccc3oc2=O)CC1	1
Cc1cccc(OCC(=O)O[C@@H]2C[NH+]3CCC2CC3)c1	1
C[C@@]1(CC2=[NH+]CCN2)OC[C@@H](C[NH+]2CCCCC2)O1	2
FC(F)(F)c1cccc(CSC2=[NH+]CCCN2)c1	1
c1c[nH]c(-c2ncc[nH]2)n1	0
O=C(c1cccc(F)c1)N1CC[NH+](C[C@H]2CC=CCC2)CC1	1
Nc1[nH+]c2ccccc2n1Cc1cccc2nonc12	1
Cc1ccc(S(=O)(=O)N=C(O)N[C@@H](C)Cc2ccccc2)cc1	0
COc1cc(CN(C)C2CC[NH+](C)CC2)cc(Br)c1O	1
O=C1OCCN1C[C@@H](O)Cn1ccnc1[N+](=O)[O-]	0
C[NH+](C)Cn1nnc2ccccc21	1
CCOC(=O)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1	0
Cc1cc(C)nc(NC(=O)C2c3ccccc3Oc3ccccc32)n1	0
CCOc1ccccc1C(=O)N1c2ccccc2Sc2ccccc21	0
C[NH+](C)CCn1nnc2c(=O)oc3ccccc3c21	1
Cc1cc(N2CCOCC2)nc(NCc2ccccc2)[nH+]1	1
O=C1CCC[n+]2ccccc21	1
CCC(=O)n1c(SCC(N)=O)nc2ccccc21	0
Cc1c2ccccn2c[n+]1N	1
Cc1cc(C)c(NC(=O)C2CC2)c(C)c1	0
NC(=[NH2+])NC[C@H]1COc2ccccc2O1	1
CNC(=O)Oc1cccc(C)c1	0
O=C(NCc1ccncc1)[C@H]1CCCC[NH2+]1	1
CC(=O)Oc1ccc(C(N)=O)cc1	0
O=C1CC[C@@H](C(=O)N2CCCCC2)N1	0
O=C1CCC(=O)N1c1cccnc1	0
O=C1C[C@H](c2cccc(F)c2)Nc2cc3c(cc21)OCO3	0
CCOc1ccc(NN2C(=O)NC(=O)C2N)cc1	0
O=[N+]([O-])c1ccc2[nH]ccc2c1	0
Cc1cc(NCn2ncc3ccccc3c2=O)ccc1Br	0
Nc1ccccc1C[NH3+]	1
CN(Cc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1	1
COc1ccc(-c2nnn(CC(=O)Nc3ccc(F)cc3)n2)cc1	0
Cc1c(OCC(=O)OC(C)(C)C)ccc2c3c(c(=O)oc12)CCCC3	0
C=C[C@@H](C[NH3+])c1ccc(O)cc1	1
CC(C)(C)[C@H]([NH3+])C(=O)N1CCC[C@@H]1C#N	1
C1=Cc2cccc(OC[C@@H]3C[NH2+]CCO3)c2C1	1
C#C[C@@H](C[NH3+])c1ccc(O)cc1	1
COc1ccc(CC[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1	1
CNC(=O)c1sc2nc(-c3ccc(OC)c(OC)c3)ccc2c1N	0
COc1cc(OC)c(C=O)cc1Br	0
CC1CCC([NH+]2CCN(S(=O)(=O)c3ccccc3)CC2)CC1	1
Cc1cc(Cl)nnc1Cl	0
Nc1cc(N2CCc3ccccc3C2)c2ccccc2[nH+]1	1
N#Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1	0
CC(=O)NC1(NC(C)=O)CC[NH+](C)CC1	1
OC[C@@H](O)C[NH+]1CCCCC1	1
COc1ccc(C(=O)c2c(N)sc3c2CC[N@@H+](C)C3)cc1	1
O=C(NN1C(=O)c2ccccc2NC12CCCC2)c1ccccc1	0
CC(C)(C)C(=O)NCC1(CC(=O)[O-])CCCCC1	-1
C[NH+](C)CCc1c[nH]c2ccc(O)cc12	1
Cc1nc2ncnn2c2c1CCN2C(C)(C)C	0
Cc1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4)cc3n2)cc1	0
CC(=O)Nc1ccc(OC(C)(C)C)cc1	0
CC[NH+](CC)C[C@@H](O)COc1ccc(OC)cc1	1
O=C1NC(=O)c2cc3ccccc3cc21	0
Fc1ccc(Nc2nc(Cl)nc(Cl)n2)c(F)c1	0
Cc1ccc(C(=O)Oc2ccc(C(=S)N3CCOCC3)cc2)cc1	0
O=C(Nc1cccnc1)N1CCOCC1	0
Cc1ccc([S@](C)=O)cc1	0
Cn1c(-c2ccccc2)nn(CN2CCC3(CC2)OCCO3)c1=S	0
O=C([O-])[C@]1(O)C=Cc2ccccc2O1	-1
Nc1ccc(-c2cc(=O)c3c(N)c(F)c(CO)c(F)c3o2)cc1F	0
Cn1c(=O)oc2ccc(C(=O)c3ccccc3)cc21	0
CCc1oc2ccccc2c1CC1=[NH+]CCN1	1
COc1ccc(CNC(=O)Cn2nc(-c3ccccc3)ccc2=O)cc1	0
COc1c2c(cc3c1OCO3)CC[N+](C)=C2	1
CN1C(=O)CC[C@@H]1c1cccnc1	0
CO[C@@H](C)C(=O)N1CC[NH+](Cc2ccccc2)CC1	1
Cn1c(-c2ccc(I)cc2)c[n+]2ccccc12	1
ON=c1[nH]c2ccc(OC(F)(F)F)cc2s1	0
c1ccc(Oc2cccc(CSc3nc4ccccc4o3)c2)cc1	0
CSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccccc1	0
C=CC[n+]1c2n(c3ccccc31)C[C@@H](O)CS2	1
CC[C@](C)(C[NH+](C)C)OC(=O)c1ccccc1	1
Cc1nonc1-c1cc2ccccn2c1	0
COc1cc(C)c(C(=O)[O-])c(OC)n1	-1
C[C@@H](CC(C(N)=O)(c1ccccc1)c1ccccc1)[NH+](C)C	1
CN(C)c1ccc(C=NN2C(=O)CNC2=O)cc1	0
Cc1ccc(/C=C/[N+](=O)[O-])cc1	0
CCN1/C(=C\C=C\c2oc3ccccc3[n+]2CC)Oc2ccccc21	1
c1cnc(-c2noc(C3CC[NH2+]CC3)n2)cn1	1
CC(C)NC(=O)c1cccc(Cl)c1	0
O=C(Nc1nn[nH]n1)c1cc(-c2cccs2)on1	0
COc1cc(C[N@@H+](C)C2CCN(C)CC2)cc2c1OCO2	1
Nc1cccc(N)[nH+]1	1
OC1CCN(c2nccc(C(F)(F)F)n2)CC1	0
Cc1cc(C)c(C#N)c(Cl)n1	0
Brc1ccc2c(c1)CCN2	0
C[NH+](C)CC[S@](=O)c1ccccc1	1
O=c1cc(C(F)(F)F)cc[nH]1	0
COc1cccc(C[NH2+]Cc2ccc3c(c2)OCO3)c1	1
COc1ccccc1NC[C@@H](O)C[NH3+]	1
CN1CCN(c2ccccc2/C=C2/C(=O)Nc3ccccc32)CC1	0
Cc1ccc2ccccc2c1CSCC(=O)Nc1ccccc1	0
C[C@@H](C[NH+](C)C)[C@@](O)(Cc1ccccc1)c1ccccc1	1
COc1ccc(CSCC(=O)NC2C[C@@H]3CC[C@H](C2)[N@H+]3C)cc1	1
O=C1NCc2cccn2-c2sccc21	0
N#Cc1nc2ccccc2[nH]1	0
O=C(NCC[NH+]1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)c1ccc(F)cc1	1
O=C(OCC1c2ccccc2-c2ccccc21)N1CC[NH2+]CC1	1
[NH3+][C@@H](C(=O)[O-])[C@@H](O)c1ccccc1	0
Nc1n[nH]c2c(F)cccc12	0
Cc1cc(N)c(N)cc1C	0
Cc1cn2c3ccccc3n(CC[NH+](C)C)c2n1	1
CCOc1ccc(C[NH+](CCO)CCO)cc1C(=O)OC	1
OC[C@@H]1CCCC[N@H+]1Cc1ccsc1	1
COc1ccc(C[NH+]2CCC(O)CC2)cc1Br	1
CN(C)C(=O)OC[n+]1ccn(C)c1	1
Cc1[nH]c2ccc(C[NH3+])cc2c1C	1
Cc1c(C)n(C[C@@H](O)C[NH2+]Cc2ccco2)c2ccccc12	1
[NH3+]CCc1nc2ccccc2[nH]1	1
C[C@@H]1C[C@H](OC(=O)c2ccccc2O)CC(C)(C)C1	0
Cc1ccc(OCC(=O)OC2CC[NH+](C)CC2)cc1	1
CC#CC(=O)N1CC[NH2+]C[C@H](O)C1	1
CSc1ccccc1C[NH3+]	1
[NH3+]Cc1ccccc1F	1
OCC1CC[NH+](Cc2ccccc2)CC1	1
COc1cc(CSC2=[NH+]CCN2)cc(OC)c1OC	1
CC1(C)C(=S)Nc2ccccc21	0
O=C(Sc1n[nH]c(=O)[n-]c1=O)c1cccc2ccccc12	-1
CC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1ccccc1	0
Cc1cc2cc(N)ccc2[nH]1	0
N#CC(C(N)=S)=C1CCCC1	0
Cc1ccccc1OCC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1	1
C[NH+](C)CCN(Cc1ccccc1)c1nc2ccccc2o1	1
O=C(c1ccncc1)N1NC2=C(CCCCC2)[C@@]1(O)C(F)(F)F	0
O=C1c2ccccc2C(=O)C1(CO)c1ccccc1	0
O=c1ccc2ccccc2o1	0
Nc1ccc(-c2cn3ccccc3n2)cc1	0
Cc1[nH+]ccn1C[C@@H](O)COc1ccccc1	1
O=C(Cc1cccs1)Nc1c[nH]c(=O)[nH]c1=O	0
Cc1nccnc1-c1cc[nH]n1	0
FC(F)(F)c1nnc2ccc(N3CCCCC3)nn12	0
C[NH+](C)C1(CNC(=O)[C@@H]2C[NH2+]CCO2)CCCCC1	2
CCOc1ccnc(N2CCN(C(=O)c3cccs3)CC2)n1	0
Oc1ccccc1-c1nnc(-c2cccc(F)c2)o1	0
Cc1cc(C)[n+]2nc(SCc3ccccc3)sc2n1	1
c1ccc(-c2n[n+]3cccnc3o2)cc1	1
CC(=O)Nc1ncc(C[NH+]2CCC(C)CC2)s1	1
O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2c(O)ccc3ccccc23)C1	1
NC1=[NH+]CCCN1Cc1ccc(Cl)nc1	1
CC[C@@H](Oc1ccccc1)C(=O)NCc1ccncc1	0
O=C(Nc1ccc(F)cc1)N1CCN(c2cc[nH+]cc2)CC1	1
COc1cc([C@@H]2NC(=O)c3ccccc3N2)cc(Br)c1O	0
CCn1ncc(Cl)c(Cl)c1=O	0
COc1cc(Br)c(C=O)cc1O	0
Nc1nc(-c2ccccc2)[n+](-c2ccccc2)s1	1
CC(C)(C)c1ccc(CC[C@@H]2OC[C@@H](C[NH+]3CCCCC3)O2)cc1	1
COc1ccc(N2C(=O)C[C@H](NC[C@@H](O)c3ccccc3)C2=O)cc1	0
CC(C)(C)[NH2+]C[C@H](O)c1ccc(O)cc1Cl	1
NC(=[NH2+])CCCc1c[nH]cn1	1
Cc1cc2c(-c3ccccc3F)nc(N3CC[NH2+]CC3)nc2s1	1
Cc1cc[nH+]c(NCn2nnc3ccccc32)c1	1
Cc1cc(NC(=O)C[NH2+]C2CC2)no1	1
O=C1Nc2ccccc2/C1=C/C(=O)c1ccc(F)cc1	0
CO[C@H]1O[C@H]2CO[C@@H](c3ccccc3)O[C@H]2C[C@@H]1O	0
O=C1NC(=O)[C@]2(N1)NC(=O)Nc1ccccc12	0
COc1ccc(C[N@@H+](C)CCc2ccccn2)c(OC)c1	1
CC1(C)OC(=O)N(c2ccccn2)[C@@]1(C)O	0
C[C@@H](Oc1cncc(N2CC[NH2+]CC2)n1)c1cccc(F)c1	1
Cc1nc2c(=O)[nH]nc(C)c2s1	0
CC(=O)Nc1c(Cl)cc(N2C(=O)c3ccccc3C2=O)cc1Cl	0
COc1ccc(OC)c2[nH]ccc12	0
CCN1C(=O)c2cccc3c(S(=O)(=O)NC4CCCC4)ccc1c23	0
Oc1ccc(Br)cc1/C=N/Cc1csc2ccccc12	0
CC[NH+](CC)CCn1c2ccccc2c2nnc(=NN)[nH]c21	1
C[C@H](C(N)=O)[S@@](=O)C(c1ccccc1)c1ccccc1	0
C[N@H+]1[C@H]2CC[C@@H]1CC(OC(=O)c1cccc(O)c1)C2	1
O=C(COC(=O)c1cccc(N2C(=O)CCC2=O)c1)c1ccccc1	0
CC[NH+](CC)c1ccc(NCN2C(=O)c3ccccc3C2=O)c(C)c1	1
CN1Cc2cccc3scc(c23)S1(=O)=O	0
COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](C[NH+]2CCCC2)C1	1
CC(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1	0
O=C(Cc1ccccc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1	0
[O-][n+]1cccc(CO)c1	0
CNc1nc(OC)cc(OC)n1	0
CCOC(=O)C1(c2ccccc2)CC[NH+](C)CC1	1
CC1(C)N=C(c2ccccc2)C(C)(C)N1O	0
CC(=O)Nc1nc2ccccc2[nH]1	0
CC(=O)O[C@H]1C=CO[C@@H](C)[C@H]1OC(C)=O	0
COC(=O)CSc1[nH]c2ccc(Br)cc2c1[N+](=O)[O-]	0
CSc1nc(N)c2ccccc2n1	0
Cc1cc(C)n(C)c2cc(=O)ccc1-2	0
CCOc1ccc(/C=N/c2ccc(Br)c(Cl)c2)cc1	0
C=C1[C@@H](CO)[C@H](O)C[C@H]1n1cnc2c(=O)[nH]c(N)nc21	0
Nc1nnc(SCc2ccccc2Cl)s1	0
COc1coc(C[NH3+])cc1=O	1
CN(N)c1ccc(C(F)(F)F)c[nH+]1	1
C[C@@H]1S[C@@]2(C[NH+]3CCC2CC3)NC1=O	1
NNc1ccccc1C(F)(F)F	0
O=C1CCCC[C@@H]1C[NH+]1CCCCC1	1
COC(=O)c1ccc2[nH]c(C)c(C[N@@H+](C)C3CCCCC3)c(=O)c2c1	1
CCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)s1	0
NC(=S)CN1CCCC1=S	0
Cc1cc2c(cc1S(N)(=O)=O)n(C)c(=O)n2C	0
O=c1[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1	0
Cc1cc(C)n(C(N)=S)n1	0
C#CCC1(OC(N)=O)CCCCC1	0
CC(C)[NH2+][C@H]1CCn2c(=O)[nH]c3cccc(c32)[C@@H]1O	1
c1ccc(CN(CC[NH+]2CCCC2)c2ccccc2)cc1	1
Cc1ccc(C[NH2+]C(C)(C)C)s1	1
CCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1cccc(OC)c1OC	0
COc1ccc2c(c1)N(CCC[NH+](C)C)c1ccccc1S2	1
C[NH2+][C@@H](C)Cc1ccccc1OC	1
Cc1ccccc1C(=O)N1CCN(c2nc3ccccc3s2)CC1	0
CC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1	0
CC1(C)C[C@](Cc2ccccc2)([C@@H](C[NH3+])CO)CCO1	1
O=C(NCCc1nc2ccccc2[nH]1)[C@@H]1COc2ccccc2O1	0
OCc1cc(F)cc(F)c1	0
C[NH+](C)CCc1ccccn1	1
C[NH2+]Cc1ccc(C(F)(F)F)cc1	1
C[NH2+]Cc1cccc(C(F)(F)F)c1	1
C[NH2+]Cc1ccc(Cl)cc1	1
CC(C)[NH2+]CC(=O)Nc1cc(N(C)C)nc2ccccc12	1
C[n+]1cccc(/C(=N\O)c2ccccc2)c1	1
Cc1cccc(S(=O)(=O)N(C)[C@H](C)CC[NH+]2CCC(C)CC2)c1	1
Cn1nccc1-c1ccccc1O	0
CC(C)(C)c1ccc(C(N)=O)cc1	0
CNC(=O)c1ccc(C(C)(C)C)cc1	0
CC[C@@H](C)c1ccc(O)c(NC(=O)c2cncc(Br)c2)c1	0
COC(=O)[n+]1cccc(C)c1	1
[NH3+]Cc1ccc(C(F)(F)F)nc1	1
CS(=O)(=O)c1cc(F)ccc1N1CC[NH2+]CC1	1
NC(=[NH2+])c1ccc(C(F)(F)F)nc1	1
C[NH+]1CCOCCOCCOCC1	1
CC(=O)n1cc(C)c(=O)[nH]c1=O	0
CC(=O)c1cc2sccc2[nH]1	0
CC1(C)CC(NC(=O)c2scc3c2CCCC3)CC(C)(C)[NH2+]1	1
CCOC(=O)/C(=C/c1ncc([N+](=O)[O-])n1C)C(C)=O	0
O=c1[nH]sc2cc([N+](=O)[O-])ccc12	0
C[NH+](C)Cc1c(O)ccc2occ([C@@H](O)c3ccccc3)c12	1
NC(=[NH2+])c1cccnc1	1
CCOC(=O)C1CC[NH+](Cc2ccc(F)c(F)c2)CC1	1
CC[C@@H]1CSC2=[N+](c3ccccc3)[C@@](O)(c3ccc(OC)cc3)CN21	1
COc1cc(CCc2ccc(O)c(O)c2)cc(OC)c1	0
Cc1[nH+]c2ccc(C(=O)[O-])cc2c2c1C[C@@H](C[NH3+])O2	1
CC(=O)Nc1ccc(/N=C/c2cc(Br)ccc2O)cc1	0
CCOC(=O)C1=C(C)OC(N)=C(C(=O)OCC)[C@@H]1c1cccc(O)c1	0
Fc1ccccc1NC(=S)N/N=C/c1ccc(N2CCOCC2)o1	0
Cc1ccc(-c2cnc3ccccc3[n+]2C)c(C)c1	1
O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Br)cc3)no2)cc1	0
O=C1[C@H]2C[C@H](CC[NH2+]2)N1[O-]	0
O=C(C1CC[NH2+]CC1)N1CCN(c2cccc3[nH]ccc23)CC1	1
Cc1nc(C#N)c(C#N)nc1C	0
COc1ccc(CCNS(=O)(=O)c2ccc(C)cc2)cc1OC	0
O=C(CSc1nc2ccccc2[nH]1)c1ccc(OC(F)F)cc1	0
c1cncc(OCC2=[NH+]CCN2)c1	1
CN(C)c1ccc(C2OCCO2)cc1	0
Cc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	0
COCc1cc(C)c(C#N)c(SCc2nc3ccccc3[nH]2)n1	0
CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1	0
O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1CC[n+]1ccccc1	1
C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCN(S(C)(=O)=O)CC1	2
COC(=O)c1ccn(COc2ccc(Cl)cc2)n1	0
Cc1cc(C=O)cc(C)c1O	0
FC(F)(F)c1ccc(=S)[nH]c1	0
C[N@H+]1CCC[C@@H]1c1ccc[nH]c1=O	1
CC(=O)Nc1ccc2c(CCC3CC[NH+](Cc4ccccc4)CC3)noc2c1	1
O=C(c1ccco1)N1CC[NH+](C[C@@H]2CC=CCC2)CC1	1
Cc1ccc(-c2n(C)c3ccccc3[n+]2C)cc1	1
Cc1cc2c(cc1C)[n+](C[C@@H](O)COc1ccccc1C)cn2C	1
Cc1ccccc1NC(=O)[C@@H]1CC(=O)OC12CCCCC2	0
CN(c1ccccc1)c1nc(N2CCOCC2)nc(-n2ccnc2)n1	0
N#Cc1ccc2ccccc2n1	0
Cc1ccc(NC2=NC3(CCCC3)NC(=[NH2+])N2)cc1	1
O=C1CCCc2c1cnn2Cc1ccccc1	0
Cc1cc([N+](C)(C)C)ccc1N	1
Cc1ccc2oc(=O)ccc2c1	0
CCCn1ncc2c1CCCC2=O	0
O=c1[nH]c2cc(Cl)c(Br)cc2o1	0
Nc1cc[n+](Cc2ccccc2)cc1	1
CC[C@@H]1C[N+]2(C)CCc3cc(OC)c(OC)cc3[C@@H]2CC1=O	1
CC(=O)Nc1ccc(CC#N)cc1	0
CC(=O)N=C1Nc2ccccc2[C@H]1O	0
CC1(C)NC(=[NH2+])NC(=N)N1c1cccc(C(F)(F)F)c1	1
O=C(NO)N[C@@H]1C[C@H]1c1ccccc1	0
Cn1cnc2c1c(=O)[nH]c(=O)n2CC[NH+](C)C	1
COC(=O)C#Cc1ccc([N+](=O)[O-])cc1	0
CC[N@H+]1CCN(C)C[C@H](NC(=O)c2cc(Cl)c(NC)cc2OC)C1	1
C[NH+]1CCC(NCc2cccc(F)c2)CC1	1
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(Cl)cc1	1
C[NH+](C)CCSc1nc2ccccc2[nH]1	1
C[C@@H]1C[NH2+]C(C)(C)[C@@H](O)C1	1
[NH3+]C1(C(=O)[O-])CCCC1	0
N#CCN(CC#N)S(=O)(=O)c1cc(Cl)ccc1Cl	0
COc1cc2nc(N3CC[NH2+]CC3)nc(N)c2cc1OC	1
O=[N+]1C=C(NCC2CC2)Nc2ccc(Cl)cc2C1c1ccccc1	1
CCN(CC)C(=O)c1ccccc1F	0
Nc1c(F)cccc1F	0
Cc1cc(N2C(=O)C=CC2=O)no1	0
NC(=S)Nc1c(F)cccc1F	0
O=C(/C=C/c1ccccc1)Nc1ccc(O)cc1	0
Cc1cc(C)c(C(=O)Nc2cccc(Br)c2)c(C)c1	0
O=C(NC(=S)Nc1ccc(N2CCOCC2)cc1)c1cccs1	0
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccco3)C2=O)cc1	-1
O=c1ccc2cccc(N3CC[NH2+]CC3)c2o1	1
CCOC(=O)c1nc2c3cc(C)ccc3n(CC)c(=O)n2n1	0
Cc1c(Cl)nc(N2CC[NH2+]CC2)nc1NC(C)C	1
Cc1ccc(CSC2=[NH+]CCCN2)cc1C	1
CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1NCC[NH+](C)C	1
N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)NC[C@@H]1CCCO1	0
C=CCN1C(=O)[C@@H](CC(C)C)NC1=S	0
Nc1nc(=O)n([C@@H]2C=C[C@H](CO)O2)cc1F	0
CCC(C)(C)c1ccc(OC2=NS(=O)(=O)c3ccccc32)cc1	0
Cn1c(=O)[nH]c(=O)c2c1ncn2CC[NH+](C)C	1
CO[C@@](C#N)(c1ccccc1)C(F)(F)F	0
C[N@H+]1CCC[C@@H]1CO	1
C/C(=N\NC(=S)Nc1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1	0
COc1ccc(CC(=O)OCC[NH+](C)C)cc1OC	1
CN(C)C(=O)Oc1ccc(OCc2n(C)c3ccccc3[n+]2C)cc1	1
CN(C)C(=O)Oc1ccc2n(C)c(-c3ccccc3)c[n+]2c1	1
O=C(c1ccc2c(c1)OCO2)N1CCCCC1	0
O=C(Cc1ccccc1)Nc1ccncc1	0
COc1ccc(CC[NH3+])cc1OC1CCCC1	1
Cc1nc2cc3n[nH][nH]c3cc2n1	0
CC[C@H]1CO[C@](C)(CCC(C)C)[NH2+]1	1
CCOc1cc(C[NH+]2CCN(c3ccccn3)CC2)ccc1O	1
O=C1C[C@@H](c2ccccc2)CN1	0
O=CN1CCN(C(=O)c2ccccc2)CC1	0
Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1	0
Cc1ccc(NC(=O)/C=C/C(=O)[O-])cc1Br	-1
NS(=O)(=O)c1ccc(-n2cccc2/C=N/n2cnnc2)cc1	0
O=CNN1C=[N+](Cc2ccccc2)NC1	1
Cn1cc[n+](C)c1SC[C@@H](O)c1ccccc1	1
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1C	0
Cc1n(C)c2ccccc2[n+]1CS(C)(=O)=O	1
Cc1ccc(NN=C2C(=O)N(c3ccccc3)N=C2N)cc1	0
C[C@@H]1Cc2cc(O)ccc2C1=O	0
CCN(c1ccccc1)S(=O)(=O)N(C)C	0
Cn1c2[n+](c3ccccc3c1=O)Cc1ccccc1-2	1
N=C(NC(N)=[NH2+])S[C@@H]1CC(=O)N(c2ccccc2)C1=O	1
CC(=O)C(C)(C)C[N+](C)(C)C	1
COC(=O)c1sccc1NC(=O)c1ccccc1Cl	0
c1cc(CC[NH+]2CCCC2)ccn1	1
NC(=S)N/N=C/c1ccc(Cl)cc1Cl	0
[NH3+]C1(CO)CCCC1	1
Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1	0
Cc1csc(C)n1	0
C[n+]1c(CO)sc2ccccc21	1
N#CCc1ccc(Cl)cc1	0
COc1ccc2ccc3c(c2c1)C[C@@H](NC(C)=O)CO3	0
CC(C)(C)OC(=O)N1CCN(c2ccc(C[NH3+])cc2)CC1	1
Cc1nnc(NC(=O)Cc2ccc(Br)cc2)s1	0
C#C[C@]1(O)CC[C@@H]2[N@H+]3CCc4cc(OC)ccc4[C@@H]3CC[C@]21C	1
Cc1ccc([N+](=O)[O-])c(C)[n+]1C	1
CC(C)(C)c1cc(C#N)ccn1	0
N#C/C(=C\c1ccc(O)c(O)c1)C(=O)Nc1nccs1	0
CCOc1ccc(N=c2sc(C(C)=O)c(C)n2CCO)cc1	0
C=CCN(CC=C)S(=O)(=O)c1cccc2nsnc12	0
Cc1cccc(C)c1NC(=O)CN1CCCC1=O	0
Cc1cnc2c(NCC[NH+]3CCCCC3)nc3cc4ccccc4cc3n12	1
NC(=S)/N=C/c1cccc(Cl)c1	0
CC[C@]1(c2cccs2)Oc2ccccc2-n2cccc2C1=O	0
COc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c(OC)c1	0
Cc1cc(C)[n+](C)c(=O)n1C	1
Cc1cc(N)n(-c2nc(-c3cccnc3)nc3ccccc23)n1	0
[NH3+]Cc1ccc(F)cc1C(F)(F)F	1
Cc1ccc(-c2nnc(N3CCCCCC3)c3ccccc23)cc1	0
CC1(C)C=CN(C(=O)Nc2ccccc2)C=C1	0
Cc1ccc(C)c(COc2ccc3c(C)c(C)c(=O)oc3c2)c1	0
CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[NH2+][C@H]2N3)cc1	1
CNc1ccc(Br)nc1	0
C[C@@H]1NC(=O)[C@@H](C)NC1=O	0
Cc1nn(-c2ccccc2)c(C)c1[C@@H]1Nc2ccccc2C(=O)N1O	0
Cn1nc(-c2cccc(F)c2)n(C)c1=S	0
Cc1cc(C)[n+]2c(-c3ccccc3)csc2n1	1
COC(=O)c1c(C)[nH]c(C)c1C(C)=O	0
Cc1cccc(C)c1NC(=O)[C@@H]1CCC[NH2+]C1	1
Nc1ccc(F)cc1Br	0
Cc1[nH]c2ccccc2c1CC#N	0
CC(C)c1ccc(C(=O)C[C@H]([NH2+]Cc2ccc(F)cc2)C(=O)[O-])cc1	0
Cc1ccccc1C[N+](C)(C)CCC(=O)c1ccccc1	1
Cc1nn(C)c(C(=O)Sc2ccc(C(F)(F)F)cn2)c1[N+](=O)[O-]	0
Cc1noc(C)c1NC(N)=O	0
CC[N@H+]1CCCCC[C@@H]1CO	1
COc1ccccc1NN	0
COc1ccc([C@@H]2OC2(C(N)=O)C(N)=O)cc1	0
COc1ccc(CCNC2=[NH+]CCN2)cc1OC	1
c1cc2c(cc1CCNC1=[NH+]CCN1)OCO2	1
C[C@H]1C[C@H](NC(=O)c2ccc(Oc3ccccc3)cc2)CC(C)(C)C1	0
CC(C)[NH2+]CCc1c[nH]c2ccccc12	1
O=C1C=C(Nc2ccc(Cl)cc2)C(=O)N1c1ccccc1	0
c1ccc(CCC2CC[NH+](Cc3c[nH]c4ncccc34)CC2)cc1	1
Cc1cnc(N2CC[NH2+]CC2)nc1C	1
Cc1ccnc(N2CC[NH2+]CC2)n1	1
O=C1CSc2ccccc2N1	0
O=[N+]([O-])c1ccc(-c2nnco2)cc1	0
Cn1cc(CC[NH3+])c2ccccc21	1
Br[C@@]12CCCC[C@@H]1C[NH2+]CC2	1
C[NH+]1CCC(C)(O)CC1	1
N#Cc1cccc(-n2cccc2)c1	0
COc1ccc(-c2c(C)c3cc(O)ccc3oc2=O)cc1	0
CN1c2ccccc2CNc2cncnc21	0
O=C([C@H]1CCc2[nH]cnc2C1)N1CCc2ccccc21	0
CCOC(=O)Cn1c2cccc3cccc(c32)[n+]2nc3c(cc12)c1cccc2cccc3c21	1
Cc1nc2ccccc2c(=O)n1-c1cccc(O)c1	0
CCCc1nnc(NC(=O)CC(=O)NCC)s1	0
Cc1ccc(C)c(Cc2c(C)nc3c(C(=O)NC4CC4)cnn3c2C)c1	0
CN1C(=O)C(=C/C=C/c2ccccc2)C(=O)N(C)C1=O	0
CN(C)c1ccccc1CSc1nccn1C	0
N#Cc1ccccc1-n1cccc1	0
Cc1ccc2c(c1)Oc1ccc(N)cc1C(=O)N2C	0
[O-]C1=[NH+]N(c2cccc(Cl)c2)CCN1	0
C[C@@H]1CN(c2ccccc2)NC(=O)N1	0
C=C(C)C[C@@H]1C(Br)=CCC[N+]1(C)C	1
CCOC(=O)c1ccc(/N=C/c2ccc3c(c2)Cc2ccccc2-3)cc1	0
CCCc1nnc(NC(=O)c2cccc(C)c2)s1	0
O=C(Nc1ncccn1)c1ccc(Cl)cc1	0
CN1CCN([C@H]2C[NH2+]C[C@@H]2O)CC1	1
O[C@@]12Oc3ccccc3C=C1[NH+]1CCC2CC1	1
NC(=[NH2+])c1cc(Cl)nc(Cl)c1	1
NNc1nc(N)nc(-c2cccnc2)[nH+]1	1
NC(=O)N1c2ccccc2C=Cc2ccccc21	0
C[N+](C)(C)CCOc1ccc2nc(N)sc2c1	1
C[C@@H]1C[NH2+]CCN1S(N)(=O)=O	1
COc1ccc([N+]2=C3CCCCN3[C@@](O)(c3ccccc3)C2)cc1	1
C[N+](C)(C)/C=C/C(=O)c1ccccc1	1
C=Cn1cnc2ccccc21	0
NOCC1(Nc2ccccc2)CC[NH+](Cc2ccccc2)CC1	1
C=CSc1ccccc1N	0
O=c1[nH]c2ccc(Cl)cc2[nH]1	0
CS(=O)(=O)N1CCc2ccccc21	0
O=c1onc2n1-c1cc(Br)ccc1OC2	0
c1cnc(N2CCN(CCNc3ccc4ccccc4n3)CC2)nc1	0
O[C@@H](COc1c(F)cc(Br)cc1F)C[NH+]1CCCC1	1
CC(C)[NH2+]C[C@@H](O)c1ccc(O)cc1	1
CCCC(=O)c1cnc2c(F)cccc2c1Nc1ccc(O)cc1C	0
O=Cc1ccc2c(c1)OCO2	0
O=C1CS(=O)(=O)C2(CCCCC2)N1	0
COc1ccc(Cl)cc1C(=O)NCc1ccccn1	0
N#CCN(CC#N)C(=O)[C@H](Sc1ccccc1)c1ccccc1	0
COc1cccc(F)c1O	0
COc1cc(C[NH3+])cc(OC)c1	1
CCn1c[n+](C[C@@H](O)COc2cccc(OC)c2)c2ccccc21	1
C[C@@H](NC(=O)c1ccccc1)c1ccccc1	0
Nc1nc(-c2ccccc2)cc[n+]1[O-]	0
COC(=O)c1cccc(NC(=S)N2CC[NH+](C)CC2)c1	1
CC(=O)c1ccc[n+](C(=O)Cc2ccccc2)c1	1
COc1cc2c(c(OC)c1OC)-c1n[nH]cc1CC2	0
O=[N+](Cc1ccc(OC(F)F)cc1)c1ccccc1	1
CC[C@@H]1CSC(Nc2c(C)cccc2C)=N1	0
O=C1CNC(=S)N1CCc1ccccc1	0
Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1	0
O=C(COC(=O)C1c2ccccc2Oc2ccccc21)c1ccccc1	0
CC(C)(C)[C@H]([NH3+])Cn1ccnc1	1
[NH2+]=C1SCCN1CC(=O)c1ccccc1	1
CC(=O)Nc1ccc(C#N)cc1OC(F)(F)F	0
CC(C)(C)C(=O)C=C(N)c1cccnc1	0
O=C(Oc1ccc(C2SCCS2)cc1)c1ccc([N+](=O)[O-])cc1	0
O=C1CCC(=O)N1c1ccc(F)cc1	0
OCn1nc(Nc2ccccc2)n(-c2ccccc2)c1=S	0
CC(NNc1[nH+]ncc2ccccc12)=C1C(=O)CC(C)(C)CC1=O	1
Cc1cc(C)n(-c2ccc(=O)[nH]n2)n1	0
CCOC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1C	0
C[C@H]([NH2+]C[C@@H](O)COc1ccccc1)[C@@H]1COc2ccccc2O1	1
N[C@@H]1CC(=O)N(C2CCCCC2)C1=O	0
C[N@H+]1CCC[C@@H](OC(=O)C(c2ccccc2)c2ccccc2)C1	1
COc1cc(OC)c(NCCC(=O)c2cccs2)cc1Cl	0
O[C@@H](c1cccnc1)c1cccs1	0
CC(C)(C)CC[n+]1ccc(C(N)=O)cc1	1
[NH3+]CCn1ncc2cc(F)ccc21	1
COC(=O)CCC(=O)Nc1ccc(C)c(I)c1	0
O=C([O-])CS(=O)(=O)c1ccccc1	-1
c1ccc(COc2ccnc(N3CC[NH2+]CC3)n2)cc1	1
O=[N+]([O-])C1=Cc2ccccc2O[C@@H]1c1ccccc1	0
COc1ccc(CC#N)c(O)c1OC	0
C[C@@H]1C(c2ccccc2)[N+](=O)C(C)(C)N1O	1
CN(C)c1ccc(C[NH+]2CCSCC2)cc1	1
Cc1cc(C)c2c(N)csc2n1	0
C[C@@H](C[NH+]1CCCC1)OC(=O)c1ccccc1Br	1
CCO[C@@]1(C)C(=O)c2ccccc2N1Nc1ccccc1C(=O)CC	0
COc1ccc(-c2cscc2-c2ccc(S(C)(=O)=O)cc2)cc1	0
COc1nc(C)cc(C)c1C(N)=O	0
Cc1ncc(-c2nnnn2-c2ccccc2)c(-c2cccc(Cl)c2)n1	0
CC(C)(O)C#Cc1ccc(/C=N\O)cc1	0
OCC1CC[NH2+]CC1	1
Clc1cccc(SC2CC[NH2+]CC2)n1	1
CC(=O)Oc1ccccc1N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O	0
Cc1[nH]c2ccc([N+](=O)[O-])cc2c1CC[NH3+]	1
O=C1Cc2ccccc2CC(=O)N1	0
CCC[NH+](CCC)CCc1cccc2c1CC(=O)N2	1
O=C(c1ccc(F)cc1)C1CC[NH+](CCCn2c(=O)[nH]c3cc(Cl)ccc32)CC1	1
CN1C(=O)CC2(CC[NH+](CCCC(=O)c3ccc(F)cc3)CC2)C1=O	1
CC(C)[NH2+][C@@H](C)C(=O)c1ccc(O)c(O)c1	1
Cc1nc2sc3c(c2c(=O)o1)CCCC3	0
CCN1C[C@H]2C[N@@H+](C)C[C@@H](C1)C2OC(=O)c1ccc(Cl)cc1	1
CC1(C)C=C(n2ccccc2=O)c2cc(C#N)ccc2O1	0
C[NH+]1CCN(c2ncc(C#N)c(N)n2)CC1	1
COc1ccc2c(c1)CC[N+]2(C)C	1
NOC[C@H]1C[C@@H]1C[NH3+]	1
CC1(C)CC(NC(=O)c2ccco2)CC(C)(C)[NH2+]1	1
NO[C@H]1CCC[C@@H]([NH3+])C1	1
Cn1c(=O)c2c(ncn2CC(=[NH2+])N2CCCCC2)n(C)c1=O	1
NOC1CCC([NH3+])CC1	1
Nc1[nH+]ccn1CCc1cncnc1	1
Cc1cc(N2CCOCC2)c2c(N)c(C)cc(C)c2[nH+]1	1
Cc1cn(CC(C)C)c(=O)[nH]c1=O	0
COc1ccc(C(=O)CC[NH+]2CCCCC2)cc1	1
CCc1nc(C)ccc1O	0
Cn1c2c(c3ccccc31)C[N@@H+](C)CC2	1
NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	0
C1=C(CC2=[NH+]CCN2)CCc2ccccc21	1
COC(=O)CC[N@H+]1CCCC2(CCCC2)C1	1
Cc1ncc(C[n+]2ccccc2)c(CO)c1O	1
CC(=O)N1N=C(N)SC1(C)C	0
c1cncc(-n2cccc2)c1	0
Cc1nc2scn[n+]2c(C)c1C	1
O=C(C[NH2+]C1CCCCC1)N1c2ccccc2C=Cc2ccccc21	1
C1CCN(c2nc(N3CCCC3)nc(N3CC[NH2+]CC3)n2)C1	1
Cc1cccc(C)c1NC(=O)[C@@H](C)[NH3+]	1
CCc1ccc(NC2=NC(=O)C[C@@H](C(=O)c3ccccc3)N2)cc1	0
Nc1cccnc1Br	0
CN(C)C(=O)N1CC[NH2+]CC1	1
CC(C)N(Cc1ccc(N(C)C)cc1)C(=S)Nc1ccc(F)cc1	0
CC(C)(C)N1C[C@H](CO)OC1=O	0
COc1ccc2ccc3cnn(C[C@@H](C)[NH3+])c3c2c1	1
CN(Cc1ccccc1)C(=O)c1ccc2c(c1)OCO2	0
O=CN1CCC(C(=O)NCC[NH+]2CCC(=C3c4ccccc4C=Cc4ccccc43)CC2)CC1	1
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
COc1c(C)cnc(C[S@@](=O)c2nc3ccccc3[nH]2)c1C	0
CN1CCCCC/C1=[NH+]\CCn1cnc2c1c(=O)n(C)c(=O)n2C	1
CCOc1ccc(NC(=O)c2c(Cl)ccc(Cl)c2OC)cc1	0
C[NH2+][C@@H](C)[C@@H](O)c1ccccc1	1
O=C1CC[N@@H+](Cc2ccccc2OC[C@H](O)C[NH+]2CCSCC2)CCN1	2
C[C@@H]1CC[C@@H]([NH+]2CCN(c3ncccn3)CC2)C1	1
OCCN1CC[NH+]([C@@H]2CC[C@@H]3CC[C@H]2c2ccccc23)CC1	1
Cc1cc(C)[n+](Cc2ccccc2)cc1C(N)=O	1
c1cnc2c(n1)CCCC2	0
NS(=O)(=O)c1cc([C@]2(O)NC(=O)c3ccccc32)ccc1Cl	0
Cc1[n-][nH]c(=O)c1C(C)C	-1
N#Cc1ccc(F)c(F)c1	0
NC(=S)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	0
CC(=O)Nc1ccc2n(C)cc[n+]2c1	1
COc1cc(OC)c(C[N+](=O)C(C)(C)C)c(OC)c1	1
C[C@@H](c1ccccc1)N1C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=S	0
CC1=C(NC(=S)NC(=O)c2ccccc2)[NH2+]Cc2ccccc21	1
C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc2c(c1)NC(=O)CS2	1
CCOC(=O)CCc1ccc2c(c1)N[C@H](c1ccc(N(C)C)cc1)O2	0
COc1ccc(CC(=O)n2[n-]c(=O)ccc2=O)cc1OC	-1
Fc1ccc2cc[nH]c2c1	0
NNc1ccc(Br)cc1F	0
C[N+]1(CCS)CCCCC1	1
C[NH+](C)CCOC(=O)[C@@]1(C#N)CC2c3ccccc3C1c1ccccc12	1
COc1ccccc1N(CC(=O)Nc1ccccc1)S(C)(=O)=O	0
NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1	1
CC(C)(CO)NC(=O)CSc1ccc(C(F)(F)F)cc1Cl	0
NC(=[NH2+])c1ccc(-c2ccccc2[N+](=O)[O-])o1	1
Nc1nc(N2CCCCC2)c(F)c(N)[n+]1[O-]	0
NC(=S)N=NCc1cccc([N+](=O)[O-])c1	0
CCc1ccc(NC(=O)Cn2c(SC)nc3ccccc32)cc1	0
C[N+](C)(C)C[C@@H](O)COc1ccc(Cl)cc1Cl	1
Nc1ccc2c(c1)-c1ccccc1C2=O	0
Oc1ccc(CN2CCC([NH+]3CCCCC3)CC2)cc1	1
OC12CC3C[C@@H](C1)C1([NH2+]CCS1)[C@H](C3)C2	1
CC(C)(C)c1cc(=O)[nH][nH]1	0
CCc1nnc(NC2=NS(=O)(=O)c3ccccc32)s1	0
NC(=O)c1ccc(Cl)cc1	0
NC(=O)c1ccccc1	0
COc1ccc(CC[C@@H]2[NH2+]CCn3cccc32)cc1OC	1
C[NH2+]C[C@@H](O)c1ccc(O)c(O)c1	1
C[NH+](C)CCNC(=O)N1CCN(c2ccccc2Cl)CC1	1
Cc1cccc(C(=O)N2CC[NH+](C)CC2)c1	1
C[NH+](C)[C@@H](CO)[C@@H](O)c1ccc(N)cc1	1
COc1cc2c(cc1OC)C1(CCOCC1)C[N@@H+](C)C2	1
CS(=O)(=O)N1CCN(C(=O)COc2ccc3ccccc3c2)CC1	0
COC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1	0
COc1cccc(C(=O)OC2CC[NH+](C)CC2)c1OC	1
CCCC(=O)Nc1ccc(Oc2cccc(F)c2)cc1	0
COc1cc(CC(=S)C(=O)[O-])ccc1O	-1
C=CCC(CC)(CC)C(N)=O	0
CC1(C)[NH2+][C@@H](C(=O)[O-])CS1	0
Cc1ccc(C[NH3+])n1C	1
Cc1ccsc1C[NH3+]	1
CCOC(=O)c1ccc(-n2ncc(N(CC)CC)c(Cl)c2=O)cc1	0
CC[NH+](CC)CCN1C(=O)[C@@H]2C[NH2+]C[C@]2(C)NC(=O)c2ccccc21	2
COc1cc2c(cc1OC)C[N@@H+](C[C@@H](O)COc1ccccc1)CC2	1
CCN1C=C(C(=O)OC)C(c2ccccc2Cl)C(C(=O)OC)=C1	0
CC(=O)Nc1cc(O)ccc1O	0
CC(=S)NN=c1[nH]c2ccccc2[nH]1	0
CC(C)N(C(=O)c1ccc(C(=O)NCc2ccccc2)cc1)C(C)C	0
C[C@@H]1C[N+](C)(C)CC[C@@H]1O	1
CCc1cnc2c(=O)[nH]c3cc([N+](=O)[O-])c(-n4ccnc4)cc3n12	0
COCc1cc(C)[nH]c(=S)c1C#N	0
COc1ccccc1C(=O)Nc1sc(C)c(C)c1C#N	0
CCOc1ccc(/C=C/C(=O)Oc2c(C)cccc2C)cc1OC	0
COc1ccc([C@@H](C(=O)OCC[NH+](C)C)c2ccccc2)cc1	1
CCc1[nH+]c(N)nc(N)c1-c1ccc(Cl)cc1	1
C[NH+](C)C[C@@H](O)COc1c(Cl)cc(Cl)cc1Cl	1
Cc1cc(C)[n+]2c(n1)CCN2	1
CC[n+]1ccnc(C#N)c1	1
C[n+]1ccccc1C(N)=O	1
CC[C@@H](C)OC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc2ccccc12	0
CC[NH+]1CCN(c2ccc(/N=C/c3ccc(O)cc3O)cc2)CC1	1
Cc1nc2nc(S(=O)(=O)N3CCOCC3)nn2c(C)c1C	0
C[N+](=O)Cc1cccs1	1
C=C1OC(=O)OC12CC(C)(C)[NH2+]C(C)(C)C2	1
CN(C)C(=O)C#CBr	0
COc1ccccc1N1C(=O)C=CC1=O	0
C[C@@H](O)C[NH2+]Cc1ccc2c(c1)OCO2	1
O=C1CC[C@@H]([N+](=O)[O-])[C@@H](c2cccs2)N1	0
O=S(=O)(c1cccc2c(Cl)cccc12)N1CCC[NH2+]CC1	1
CCc1[nH+]c(C)cc(N)c1O	1
COc1cc(C=O)ccc1OC(=O)c1ccc(Cl)cc1Cl	0
S=c1oc2ccccc2n1CNc1ccccn1	0
C[NH+](C)CC/C=C1/c2ccccc2CS(=O)(=O)c2ccccc21	1
CC(=O)[C@@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C	0
N#Cc1ccccc1NC(N)=S	0
Cc1cc2cc(CCN3C(=O)c4ccccc4C3=O)c(=O)[nH]c2cc1C	0
C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)C1	1
C[NH+]1CCC(N=Nc2ncnc3sc4c(c23)CCCC4)CC1	1
O[C@@H](COC[C@H]1COc2ccccc2O1)C[NH+]1CCCCC1	1
C=CCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)C(C(=O)OC)=C1C	0
COc1cccc(C2Nc3cccc4cccc(c34)N2)c1OC	0
Cc1ccc(NC(N)=O)cc1	0
CC(C)c1ccccc1NN	0
OCCn1c(-c2ccc(F)cc2)cs/c1=N\c1cccc(Cl)c1	0
CCOc1ccc(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1	1
C[NH2+][C@@]12CCCC[C@H]1Sc1ccccc12	1
CC(=O)NCc1c(F)cccc1Cl	0
O=C1C[C@H](Sc2ccccc2)[C@@H]2CO[C@H]1O2	0
CNc1oncc1C1=CCC[N@@H+](C)C1	1
CC1(NC2=NS(=O)(=O)c3sc(Cl)cc3N2)CC1	0
S=C(Cc1cccnc1)N1CCOCC1	0
CCOC(=O)c1cnc(C[NH3+])c2c(OC)cc(OC)cc12	1
NC(=O)c1cnc2n1CCc1ccccc1C21CC[NH2+]CC1	1
C[NH+](C)[C@H]1CCc2[nH]c3ccccc3c2C1	1
CC(=O)c1c(O)nc2ccccn12	0
NNc1nc(N)nc(C2CC2)[nH+]1	1
[NH3+][C@@H](Cc1ccc(O)c(I)c1)C(=O)[O-]	0
CNc1nc(-c2ccccc2)[n+](-c2ccccc2)s1	1
C[NH+](C)CCCn1c2c(c3ccccc31)CCCCCC2	1
Cn1n[n+](Cc2ccc([N+](=O)[O-])cc2)c2ccccc21	1
COC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1	0
Brc1ccccc1C[NH+]1CCC(Cc2ccccc2)CC1	1
COc1cc2c3c(c1OC)C1(C=CC(=O)C=C1)C[C@@H]3[N+](C)(C)CC2	1
CSc1ccc(N2C(=[NH2+])NC(=[NH2+])NC2(C)C)cc1	2
Nn1cc(C(F)(F)F)ccc1=[N+]1CCNCC1	1
Cc1cc(NN)[nH+]c(C)n1	1
Cc1cccc(OCC(=O)Nc2sc(C)c(C)c2C(N)=O)c1	0
C[NH+]1CCC2(CC1)OC(=O)NC2=O	1
[NH3+]Cc1ccccn1	1
C[NH+]1CCN(C(=O)c2ccc(CNS(=O)(=O)c3cccc(Cl)c3)cc2)CC1	1
COc1cc(C[NH2+]Cc2ccc(OC)c3ccccc23)cc(OC)c1	1
COc1ccc(C[NH2+]Cc2cc(F)ccc2F)cc1OC	1
C[N@H+]1[C@H]2CC[C@@H]1C=C(c1cccnc1)C2	1
C/C=C/c1n(C)c2ccccc2[n+]1C	1
N=C1NC(=[NH2+])N[C@H](c2ccccc2)N1c1ccccc1	1
COC(=O)c1ccc(C(=O)OC)c(NC(=O)CC(C)(C)C)c1	0
COc1cc(SC)ccc1C(=O)N1CCN(c2ccccc2)CC1	0
CC1(C)CN(S(N)(=O)=O)CC[NH2+]1	1
Cc1cc(C)c(S(C)(=O)=O)cc1N	0
O=C1CCSc2ccc(F)cc21	0
O=C(c1cccs1)N1CCCCC1	0
C[N@H+]1[C@H]2CC[C@@H]1CC(=NOC(=O)C1CCCCC1)C2	1
NC(=[NH2+])N1CCSCC1	1
CC1(C)CCCN(c2[nH+]cnc3[nH]ccc23)C1	1
O=C(Nc1ccc(F)cc1)c1ccccc1	0
CC[N+]1(CC#N)CCOCC1	1
Cc1cc(N)cc(Cl)c1O	0
O=S(=O)(N[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccco1)c1ccccc1	1
COC(=O)c1ccc(OC[C@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1	1
CC(=O)Nc1ccc(N2CCOCC2)cc1	0
COc1ccc(NC(=O)[C@H](C)SCc2ccccc2)cc1OC	0
Cc1ccc(-n2ncc(N(C)N3CC(C)(C)C3=O)c(Cl)c2=O)cc1	0
Cn1cc(C2=C(c3ccccc3Cl)C(=O)NC2=O)c2ccccc21	0
NC(=[NH2+])NC[C@@H](O)CN1CCCc2ccccc21	1
C=CC[N+]1(C[C@@H](O)COc2cccc3ccccc23)CCOCC1	1
Cc1cc(C)c(-[n+]2cccc(C(N)=O)c2)c(C)c1	1
c1coc([C@@H]2NCCS2)c1	0
Cc1ccc(OC[C@@H](O)C[NH2+]Cc2ccccc2)cc1C	1
[NH3+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1	1
S=c1n(CN2CCCCC2)nc(-c2ccco2)n1-c1ccccc1	0
C[NH+](C)CCc1ccc(O)cc1	1
Oc1ccc(O)c(C[NH+]2CCCCCC2)c1	1
CC1SC(Cc2ccc(Cl)cc2)=NC1=O	0
Cc1ccc(CNC2=[NH+]CCS2)cc1	1
c1ccc(-c2n[nH]cc2-c2ccc3ncccc3n2)nc1	0
N#Cc1ccc(C(=O)N[C@@H]2CCc3ccccc3C2)cn1	0
CCn1c2ccccc2c2cc(/C=N/c3cccc(C(N)=O)c3)ccc21	0
O=C1CCC[C@@H]2/C(=N/O)CCC[C@@H]12	0
CCOC(=O)N1CCC([NH2+]CCc2c[nH]c3ccccc23)CC1	1
O[C@@H](COCc1ccccc1)C[NH+]1CCN(c2ccccn2)CC1	1
COc1ccc(CC(=O)O[C@@H]2CCC[N@@H+](C)C2)cc1	1
N#Cc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	0
O=c1[nH]c2c(c3nc(-c4ccccn4)nn13)C[N@@H+](Cc1ccccc1)CC2	1
Cc1ccc(C)c(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1	0
C[N+](C)(C)Cn1c(=O)sc2ccccc21	1
c1ccc2c(C[NH+]3CCCCC3)c[nH]c2c1	1
CNC(=O)c1c(C)csc1NC(=O)C(F)(F)F	0
Cc1ccc2c(c1)c1c(n2C)C(=O)CCC1	0
c1ccc(OCc2nc3ccccc3[nH]2)cc1	0
O=[N+]([O-])c1cccc(-c2csc3[n+]2CCC3)c1	1
O=C1CCCCCN1CO	0
C[C@@H](C[NH+]1CCCCC1)OC(=O)[C@@H]1COc2ccccc2O1	1
NC(=[NH2+])NC(=[NH2+])Nc1ccccc1[S-]	1
O=C1C(=CNCC2CC[NH2+]CC2)C(=O)c2ccccc21	1
Cc1cc(C)c2c(N)nn(C)c2n1	0
Cc1cccc(NC2=NC(C)(C)NC(=[NH2+])N2)c1	1
[NH3+]Cc1cc(-c2ccccc2)no1	1
CCN(CC)S(=O)(=O)c1cccc(C(=O)NCc2ccccc2)c1	0
C[C@H](c1cccc(C(=O)c2ccccc2)c1)c1nc(N(C)C)no1	0
CC(=O)N1CCN(c2cc[nH+]c3cc(Cl)ccc23)CC1	1
CC[NH+](CC)CCN1C(=O)CCCc2sc3c(c21)CCCC3	1
C[N@@H+](CCCn1ccnc1)CCOc1ccc(Cl)cc1	1
O=C(N[C@@H]1C[NH+]2CCC1CC2)c1cc(Br)cc2nc[nH]c12	1
CC(=O)Oc1cccc(C(=O)Nc2ccc(Br)cc2C)c1	0
Fc1c(Cl)cccc1C[n+]1ccccc1	1
Cc1cc(C)c(S(=O)(=O)N(CC#N)CC#N)c(C)c1	0
CC[NH+]1CCC(N2CCOCC2)CC1	1
CC[N@H+]1CCC[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1	1
COc1ccccc1C1=C[NH+]2CCC1CC2	1
C[C@@H](NC(=O)CSc1nc(N)cc(N)[nH+]1)c1ccccc1	1
O=c1c2ccccc2ncn1CO	0
C[N+]1(C)CCc2ccc(Cl)cc21	1
C[N+]1(C)CCc2cc(Br)ccc21	1
C[C@H](c1cccnc1)[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	0
O[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2Cl)C1	1
Cc1ccccc1-c1cn[nH]n1	0
C[N@H+]1CC[C@](O)(c2ccccc2)[C@@H]2CCC[C@@H]21	1
O=C1N[C@H]2CCCCN2C12CC[NH+](CCCN1c3ccccc3CCc3ccc(Cl)cc31)CC2	1
CC[C@H](C)C(=O)NC1CCCCCC1	0
N#CC(C#N)[C@@H](CC(=O)c1ccc(Cl)cc1)c1ccccc1Cl	0
O=C(OC[C@@H]1CCCO1)c1cccnc1	0
Cc1c(NCc2ccccc2)[nH]c(=O)[nH]c1=O	0
COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C[N@H+]1CCCC[C@@H]1C	1
CSc1nc(C)c(C)c(C)c1C#N	0
C[C@@H]1CCCC[N@H+]1CC(=O)N1CCC(C(N)=O)CC1	1
Oc1ccc(F)c(C(F)(F)F)c1	0
Cc1ccc(-c2ccc3[nH]cc(CC[NH+](C)C)c3c2)s1	1
c1csc(-c2cc3nccn3[nH]2)c1	0
O=c1[n-]n(-c2ccccc2C(F)(F)F)n[o+]1	0
[NH3+][C@@H](c1ccccc1)c1ccccn1	1
COc1ccccc1C(=O)N1CC[NH+](C(C)C)CC1	1
O=C1CN([C@H]2CC[NH2+]C2)CN1	1
O=C(Oc1ccc(Cl)cc1)c1ccccc1	0
S=C(NC1CCCCC1)NN1CCOCC1	0
CC(C)C[C@@H]1C[NH2+]C[C@H]1C(=O)[O-]	0
CCN(CC)NC(=S)NC1CCCCC1	0
Cc1ccc(C(=O)NCc2ccco2)cc1	0
CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1C[NH3+]	1
c1ccc([C@H](CC2=[NH+]CCN2)c2ccccn2)cc1	1
N#Cc1c(F)cccc1Cl	0
Cn1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c2ccccc21	0
CCc1ccc(O)c(/N=C/c2ccc([N+](=O)[O-])cc2)c1	0
C=Cc1ccc(-c2csc(N)n2)cc1	0
[O-]/N=C/c1ccc(F)cc1	-1
FC(F)(F)c1ccccc1CN1CCC([NH+]2CCCCC2)CC1	1
CN1CCC([NH2+]Cc2ccccc2F)CC1	1
CC[NH+](CC)CC(=O)Nc1c(C)cccc1C	1
CC[NH+](CC)C[C@@H](O)Cn1c2c(c3ccccc31)CCCC2=O	1
Nc1cc(Cl)c(NC2=[NH+]CCN2)c(Cl)c1	1
CC(C)(C)[NH2+]C[C@@H](O)c1ccc(O)c(CO)c1	1
Cn1[nH]c(C(C)(C)C)cc1=O	0
COc1ccc2n(C)c(-c3ccc(C=O)cc3)c[n+]2c1	1
CCOc1ccccc1NC(C)=O	0
CC(=O)Nc1ccc(C(=O)Nn2cnnc2)cc1	0
CC(=O)N(Cc1ccccc1)c1ccccn1	0
c1cncc(CN2CCC([N@H+]3CCc4ccccc4C3)CC2)c1	1
Nc1cc(N)[nH+]c(SCc2ccccc2)n1	1
O=C1CCc2ccccc2N1	0
C[NH+]1CCC(c2n[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc23)CC1	1
CCc1nc(C=O)c(C)[nH]1	0
COc1cc(N2CC[NH2+]CC2)cc(OC)c1OC	1
O=C(CCc1ccccc1)O[C@@H]1C[NH+]2CCC1CC2	1
COc1ccc([C@H]2CC(c3cc(OC)cc(OC)c3)=NC(=[NH2+])N2)cc1	1
O=C(c1ccc(F)cc1)C1CC[NH+](CCn2c(=O)[nH]c3ccccc3c2=O)CC1	1
COC(=O)c1c(C)oc2ccc(OCC(N)=O)cc12	0
N#Cc1ccc2[nH+]c(N)[nH]c2c1	1
C[NH+]1CCN(CC(=O)OC2C[C@@H]3CC[C@H](C2)[N@H+]3C)CC1	2
CC(C)(C)N1C(=O)N[C@@H]2NC(=O)N[C@@H]21	0
[NH3+]C[C@@H](c1ccc[nH]1)C(F)(F)F	1
C[N+]1(CCOC(=O)c2ccc(O)cc2O)CCCCC1	1
O=C1Nc2ccccc2[C@@]1(O)Cc1ccccn1	0
CCOC(=O)c1c(C)n(C)c2cc(C[NH+](C)C)c([O-])c(C[NH+](C)C)c12	1
CCN1C(=O)N(CC)[C@@H]2NC(=O)N[C@H]21	0
Cc1ccccc1OCC1N=NC(=S)N1C	0
C[C@H]([NH3+])C(O)(c1ccccc1)c1ccccc1	1
COC(=O)Cn1cnc2sc(C)c(-c3ccc(Cl)cc3)c2c1=O	0
CC(C)c1ncc(S(=O)(=O)c2ccc(C(F)(F)F)cn2)c(N)n1	0
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)C2)cc1	0
C[C@@H]1N(O)C(C)(C)C(c2ccccc2)[N+]1=O	1
Cc1ccc(S(=O)(=O)N2CCC([N@H+](C)CCC(C)C)CC2)cc1	1
CC(=O)O[C@H]1C[C@H]2CCC[C@@H]1[NH2+]2	1
CCSc1sc(C[NH+](C)C)cc1/C=N/O	1
C[N@H+]1CCC[C@@H]1CCSc1ccccn1	1
CCC[C@@H](C)C(=O)Nc1cc(OC)ccc1OC	0
COc1ccc([N+](=O)[O-])cc1NCc1cc(OC)c(OC)c(OC)c1	0
CC[NH+]1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1	1
CC(=O)N1CCC([NH2+]CC2CCCCC2)CC1	1
Clc1ccc(-c2noc(CSC3=[NH+]C[C@@H]4CCC[C@@H]4N3)n2)cc1	1
Cc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2	0
FC(F)(F)c1cnc(-n2cccc2)c(Cl)c1	0
c1ccc(Cc2nnc3ccncc3n2)cc1	0
C[NH+]1CCN(c2ccc(NC(=O)c3nccnc3C(=O)[O-])cc2)CC1	0
O=C(Nc1ccc(O)cc1)C(Cl)(Cl)Cl	0
CN1CCN(C(=O)c2ccc(-c3ccc(Br)cc3)o2)CC1	0
CC1(C)C(=O)Nc2ccccc21	0
C=C1C(=O)C(C)C(=C)C(=O)C1C	0
COc1nc(Nc2ccc(OC(F)(F)F)cc2)nc(NC2CC2)n1	0
CC[C@H](C)C(=O)N1CCC(C(=O)OC)CC1	0
COc1ccc(Br)cc1/C=C1/Sc2ccccc2C1=O	0
Cc1cccc(C)c1NS(=O)(=O)c1ccc([C@@H]2CNC(=O)C2)cc1	0
COc1ccc(C[NH2+]C[C@@H](O)COc2ccc(C)cc2[N+](=O)[O-])cc1	1
c1cc(-c2c[nH]cn2)c2ccsc2c1	0
Cc1sc(C)c2c1CCC[C@H]2c1c[nH]cn1	0
[NH3+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1	1
C[C@@H]([NH3+])Cc1cn(C)c2ccccc12	1
CC(=O)CC(=O)N1CCOCC1	0
Cc1ccc[n+]2cccnc12	1
COC(=O)c1c(C)nn(C(=O)c2cccs2)c1-c1snnc1C	0
c1ccc(-c2nsc(N3CC[NH2+]CC3)n2)cc1	1
O=C(C[NH+]1CCCCC1)N1CCN(S(=O)(=O)c2ccccc2)C1	1
CCOC(=O)c1c(NC(=O)c2cccnc2)sc(C(=O)OC)c1C	0
C=C[C@@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@H](O)c1cc[n+]([O-])c2ccc(OC)cc12	1
C[N+]12CCC(CC1)C1=C[C@@H](O)CC[C@@H]12	1
CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C1	1
CC[NH+](CC)C(C)(C)CNc1cc(C)c(-c2ccccc2)nn1	1
CN(CC[N+]1(C)CCCC1)C(=O)[C@](O)(c1ccccc1)c1cccs1	1
C[C@@]1(Br)CCOC1=O	0
COc1ccc2c3c1O[C@@H]1C[C@H](O)C=C[C@@]31CC[N@H+](C)C2	1
Cc1cc2c(s1)Nc1ccccc1NC2=[NH2+]	1
Cc1cc(C)c(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1C	1
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2	1
CC(C)(C)[NH2+]C[C@H](O)CO	1
C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@H]2CO	1
OC1C[N+]2(CCCCC2)C1	1
O=C1NC(=S)NC1=CC=Cc1cccs1	0
NC(=O)c1cn(C2CCCCC2)c2ccccc2c1=O	0
O=C(C[N@@H+]1CCCC[C@@H]1CCO)c1c[nH]c2ccccc12	1
COc1ccc([C@@H](C(N)=O)[NH+]2CCCC2)cc1	1
O=C1c2ccccc2-c2nc3nonc3nc21	0
COc1ccc(C[C@@H]2[NH2+]C[C@@H](O)[C@@H]2OC(C)=O)cc1	1
Cc1nc(-c2noc(C)n2)no1	0
NC(=[NH2+])c1ccccc1Cl	1
N#Cc1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1	0
C[NH+](C)CCc1c[nH]c2ccc(C[C@@H]3COC(=O)N3)cc12	1
CC(C)(C)[N@H+]1CCO[C@H](c2ccc(N)nc2)C1	1
C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CC[NH2+]2	1
C[NH2+][C@@H](C)COc1ccc(O)cc1	1
O=c1ccc2ccccc2n1O	0
Cc1ccc2cccc([O-])c2[n+]1[O-]	-1
Cc1cc(C)c2ccc(C)[n+]([O-])c2c1O	0
Cc1ccc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)C2)cc1	1
O=c1[nH]n(-c2ccc(F)cc2)n[o+]1	1
O=c1[n-][n+](-c2ccccc2Br)no1	0
C[C@@H]1CC(=O)Nc2ccccc2O1	0
Cc1c(-c2ccccc2F)[nH]c(N)c1C#N	0
Cc1cc(Cl)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1C	0
c1ccc(Cc2ccc(OCC[NH+]3CCCC3)nc2)cc1	1
C[C@@H]1Nc2ccc(Cl)cc2S(=O)(=O)N1	0
CCOC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)o1	0
Fc1cc2c(cc1F)[C@@H]1C[NH2+]C[C@H]2C1	1
Cc1c(C=O)c2ccccc2n1C	0
CCC(=O)N1c2c(C)cc(C)cc2-c2c(ssc2=S)C1(C)C	0
Cn1nccc1[C@H](OCC[NH+](C)C)c1cccs1	1
OC[C@@H]1CCCC[N@H+]1[C@H]1CCc2ccccc2C1	1
CCCC(=O)Nc1ccc(Oc2ccccc2OC)cc1	0
CC(=O)Nc1ccccc1-c1nc2ccccc2o1	0
Cc1nc2ccc(CO)cc2s1	0
O=C1Nc2ccccc2S[C@H]1CO	0
CC(=O)C[C@@H]1CCCC[NH2+]1	1
Cc1nc2ccccn2c(=O)c1Cl	0
C[NH+]1CCN(CCC[NH2+]Cc2cnn(C(C)(C)C)c2)CC1	2
COc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CCCC2	0
CCOC(=O)C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1	0
COc1ccc(OC)c(C[N@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)c1	1
NC(=O)COc1cc(OCC(N)=O)c2c3c(c(=O)oc2c1)CCCC3	0
Cc1cc(Sc2ccccn2)nc(N)n1	0
O=C(NCc1ccco1)[C@@H]1COc2ccccc2O1	0
COC(=O)C1=C(Nc2ccccc2)CN(c2ccccc2)C1	0
Cc1ccc(/C=N/NC(N)=S)s1	0
c1ccc(-c2nc3ccccc3n3cncc23)cc1	0
Cc1nc(C2=CCC[NH2+]C2)cs1	1
OC[C@H](O)[C@@H]1O[C@H](c2ccccc2)OC[C@@H]1O	0
C[NH+](C)[C@@H](c1cccnc1)C1COCOC1	1
C[NH+](C)CCO[C@@](C)(c1ccccc1)c1ccccn1	1
Cn1c(-[n+]2ccccc2)c(C=O)sc1=O	1
C[N@H+]1[C@H]2CC[C@@H]1CC(NC(=O)c1cccc(C(F)(F)F)c1)C2	1
Cc1ccc(C2(c3ccc(C)cc3)C[C@@H]2C(=O)Nc2nccs2)cc1	0
CCn1c[n+](C[C@@H](O)COC2CCCCC2)c2cc(C)c(C)cc21	1
N#Cc1ccccc1NC(=O)c1[nH]nc([N+](=O)[O-])c1Br	0
COc1ccccc1CC(=O)Nc1ccc(C)cc1	0
COC(=O)C[C@@H]([NH3+])c1ccc2c(c1)OCO2	1
Cc1cc(-c2nc(C(=O)[O-])cs2)no1	-1
COc1cc(Br)cc(CNc2cc(C)cc[nH+]2)c1O	1
O=C(CSc1nnc2sc3ccccc3n12)NC1CCCCC1	0
O=c1[nH]c2cc(F)c(NCC3CCOCC3)cc2o1	0
COC(=O)[C@H](Cc1cnc[nH]1)NCc1ccccc1	0
COc1cc2c(cc1OC)C[N+](C)(C)CC2	1
O/N=C/c1ccc(N2CCOCC2)cc1	0
CC1=NN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@](C)(O)C1	0
C=Cn1n[n+](C(C)(C)C)nc1C	1
COc1ccc(/C=C2/NC(=S)N(C[C@@H]3CCCO3)C2=O)c(OC)c1	0
O=C(C[NH+]1CCCCC1)N1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@@H]31	1
CC(C)(CO)[NH2+]C[C@@H](O)c1ccccc1	1
O=C(NCC[NH+]1CCCC1)C1c2ccccc2Oc2ccccc21	1
CC1(C)CO[C@@H](CC(=O)[O-])C[NH2+]1	0
[NH3+][C@@H](Cc1ccccn1)c1ccccc1	1
C[N+](C)(Cc1ccccc1)Cc1sc(Cl)c(Cl)c1Cl	1
NC(=O)c1nc2ccccc2s1	0
CC1(C)C(=O)Nc2cc3[nH]c(-c4ccncc4)nc3cc21	0
O[C@@H](COc1ccccc1)CSc1nc2ccccc2o1	0
c1csc(-c2cc(C3CC[NH2+]CC3)[nH]n2)c1	1
CSc1cccc(NC(N)=O)c1	0
COC(=O)C[C@@H]([NH3+])c1ccccc1	1
Cc1ccc(C)n1CC1CC[NH2+]CC1	1
COc1cc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)cc(OC)c1O	0
Cc1nc2ccccc2c(=O)n1-c1ncccc1[C@@H]1CCC[N@@H+]1C	1
O=C(Nc1ccno1)N1CCOCC1	0
COc1ccc(CC2=NCCc3cc(OC)c(OC)cc32)cc1	0
CC[NH+]1CCN(c2ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc2)CC1	1
Cc1[nH+]ccn1C[C@@H](O)COc1ccc(Cl)cc1Cl	1
CCOC(=O)Cn1c2c(c(=[NH2+])c3c1CCC3)CCC2	1
CCCn1c2c(c(=[NH2+])c3c1CCC3)CCC2	1
CN1C(=S)SC(C)(C)[C@@H]1[N+](=O)Cc1ccccc1	1
C[C@@H]1CC(=O)Nc2ccccc2N1	0
COc1ccc(CC[C@@H](O)Cc2cccnc2)cc1	0
CC[N@H+](c1ccc(N)cc1)C(C)C	1
CCCc1nnc2c(N3CC[NH+](C)CC3)nc3ccc(Cl)cc3n12	1
S=c1[nH]ccn1Cc1nccs1	0
N#Cc1ccc2no[n+]([O-])c2c1	0
CC(=O)Nc1ccc(-c2cc(=O)[nH]nc2C)cc1	0
CCOC(=O)c1cc(C(C)(C)C)[nH]n1	0
O=c1cc(C(F)(F)F)c2ccc(O)cc2[nH]1	0
c1ccc(COc2cc3cc[nH]c3cc2OCc2ccccc2)cc1	0
C[NH+]1CCN(c2ccc(C(F)(F)F)cc2N)CC1	1
C[C@@H](CCc1ccc(O)cc1)[NH2+]CCc1ccc(O)c(O)c1	1
CC(=O)c1cc([N+](=O)[O-])c(Sc2cccc(Cl)c2Cl)s1	0
COc1ccc(OC[C@@H](O)CNC2CC(C)(C)[NH2+]C(C)(C)C2)cc1	1
NC(=O)C1(N2CCCCC2)CC[NH2+]CC1	1
Cc1csc2c(N(C)CCO)ncnc12	0
[NH3+][C@@H](CO)CSCc1ccccc1	1
CN(C)C(On1nnc2ccccc21)=[N+](C)C	1
Nc1ccc(S(=O)(=O)c2ccc(N)cn2)cc1	0
CN(C)C(=O)Oc1ccc[n+](C)c1	1
NC(=O)c1cnccn1	0
Cc1cccc(N2C(=O)CS[C@H]2c2c(Cl)cccc2Cl)n1	0
CC(=O)c1ccc(N2CC[NH2+]CC2)c(F)c1	1
COc1ccccc1C1=NC(C)(C)CO1	0
COc1c2c(cc3c1OCO3)CC[N@H+](C)C2	1
CCN(CC)C(=O)c1cccc(C)c1	0
CC[NH+](CC)CCn1c(=N)n(CC(=O)OC)c2ccccc21	1
CC1(C)C[C@@H](O)N=C1c1ccccc1	0
O=S(=O)(c1ccc2c(c1)OCCO2)N1CCCCC1	0
C=C(C)c1cccc(C(C)(C)NC(=O)NC[C@@H]2COCCO2)c1	0
N#Cc1c(N2CCc3ccccc3CC2)nc2n(c1=O)CCC2	0
CC1(C)CC(/N=C/c2ccccc2O)CC(C)(C)[NH2+]1	1
C[N+](C)(N)Cc1ccccc1	1
CN(N)c1[nH+]cccc1C(F)(F)F	1
CSc1c(CC(=O)NCCc2ccccc2)n(C)c2ccccc12	0
O=C(CSCc1ccccc1Cl)Nc1ccccc1	0
C[N+]1(CCc2ccccc2)CCOCC1	1
Cc1nonc1NC(=O)OC(C)C	0
O=C(CCc1nc(=O)c2c3c(sc2[nH]1)CCCC3)N1CCCCC1	0
Cc1oc(C(C)(C)C)cc1C(N)=O	0
CN1CCC([N@H+]2CCC[C@@H](CO)C2)CC1	1
O=C1Nc2ccc(F)cc2[C@@H]1O	0
CC(=O)N1N=C(C)C[C@@]1(O)c1cccnc1	0
Cc1nc2ccc(NC=O)cc2s1	0
O=C([O-])[C@@H]1[C@@H](C(=O)Nc2cccc(Cl)c2)[C@H]2C=C[C@@H]1C21CC1	-1
CN1C(=O)[C@H](O)N=C(c2ccccc2)c2cc(Cl)ccc21	0
Cn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1cccs1	0
Cc1ccc(N)cc1N(C)C	0
COc1ccccc1NC(=O)CSCc1cnc(C)c(O)c1CO	0
C=C1C[C@H](C(=O)OC)[C@H]([NH3+])C1	1
[NH3+]CC(=O)N[C@H](Cc1ccccc1)c1ccccc1	1
Clc1ccc(OCC2=[NH+]CCN2)cc1Cl	1
CN1CC(=O)NC1=NC(=O)Nc1cccc(Cl)c1	0
Oc1ccc(-n2cnnn2)cc1O	0
CCn1c2[n+](c3ccccc31)C[C@@H](O)CS2	1
CC1(C)OC(=O)N(Cc2ccco2)[C@]1(C)O	0
C[C@H](c1ccc(Cl)c(Cl)c1)n1[nH]c(N)cc1=O	0
O=C1CCC2(CCCCC2)N1	0
COc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)c2cc(N)cc(CO)c2)cc1	1
COc1ccc(NC(=O)CSc2nc3ccccc3o2)cc1	0
O=c1cc(-c2ccncc2)[nH][nH]1	0
C[C@H](c1ccccc1)[C@@H]1OC[C@H](C[NH+]2CCCCC2)O1	1
COc1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2OC)cc1	1
OC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1	1
COC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccccc1	0
CC[NH+](CC)CCC(=O)c1ccc(OC)c(OC)c1	1
Cc1cc(C)c2ccc(N)nc2n1	0
CN1CCC([N@@H+](C)Cc2ccccc2)CC1	1
CC1=C/C(=C/c2ccco2)C(=O)O1	0
[NH3+]CCc1cccs1	1
CCOc1cc(CNc2cn[nH]c(=O)c2Cl)ccc1OC	0
O=C(CCC(=O)OC[C@@H]1CCCO1)Nc1ccc(Cl)c(Cl)c1	0
CCc1ccc(NC(=O)NCC[N@H+]2CCc3ccccc3C2)cc1	1
CC(C)c1cc(/C=C2\C[NH+]3CCC2CC3)on1	1
COc1ccc2c(c1OC)C(=O)N(c1cccc(NC(C)=O)c1)C2	0
O=C(/C=N/[O-])Nc1ccc(F)cc1F	-1
C[NH+]1CCN(c2ccc(CO)cc2)CC1	1
O=C(CNC1=[NH+]CCC1)c1ccccc1	1
COc1ccc(C[NH+]2CCN(c3ccccc3C)CC2)c(C)c1C	1
CCNC(=O)N1CCN(c2ccnc(C)n2)CC1	0
COc1ccc2[nH]cc([C@@H](O)C[NH+]3CCC(C(N)=O)CC3)c2c1	1
O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccs1	1
Cc1cnc2c(c1C)c(=O)n(C)c(=O)n2C	0
O=C(CNC(=O)c1cc(Cl)cc(Cl)c1)Nc1cccc(F)c1	0
Cc1ncc2c(c1O)CO[C@@H]2c1ccc(Cl)cc1	0
COc1ccc(N2C(=O)C[C@H]([NH2+]Cc3ccncc3)C2=O)cc1	1
Cc1nn(-c2ccccc2)nc1C[NH3+]	1
[NH2+]=C1c2ccccc2CN1CC(=O)c1ccc(Cl)cc1	1
C[C@@]1(C(=O)[O-])[NH2+]CCc2c1[nH]c1ccccc21	0
C[C@@H](O)C#C[C@]1(C)CCCC(C)(C)O1	0
COc1ccc(O)c(C(=O)Nc2ccc(Cl)cc2)c1	0
Cc1ccc(NC2C(=O)NC(=O)N2N)cc1	0
O=C1CCC2=C(CCCC2)N1	0
Nc1cccc(NC(=O)c2cccs2)c1	0
Cc1cc2cc(C)nn2c(N)n1	0
C[NH+]1CCN(C(=O)N2c3ccccc3CCc3ccccc32)CC1	1
CC(C)[N@H+]1CCc2c(sc(N)c2C#N)C1	1
COc1ccc(CC[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)cc1OC	1
O=C1CCCN1C(=O)Nc1ccccc1Cl	0
CC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C	1
O=C(CCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1	1
Cc1nc([C@H]2C[NH+]3CCC2CC3)no1	1
C[N+]1=C(C=CNc2ccccc2)OCC1	1
Cc1n(C)c2ccccc2[n+]1C[C@@H](O)COC1CCCCC1	1
CC1(C)C[C@@H](C(=O)COc2ccc3ccc(=O)oc3c2)CCO1	0
O=C(c1ccnc(C(=O)N2CCSCC2)c1)N1CCSCC1	0
Cc1cccc2n[nH]cc12	0
COC(=O)c1cc(CCc2cc(OC)ccc2OC)ccc1O	0
O=[N+]([O-])c1ccc([S@@](=O)N2CCOCC2)cc1	0
COc1ccc(CN(C)C2CC[NH+](C)CC2)cc1	1
Cc1cc(N2CC[NH+](C)CC2)nc(Cl)c1C#N	1
CCN(CC)S(=O)(=O)c1csc(C(=O)Nc2ccccc2)c1	0
CSc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccc2SC)cc1	0
CCOc1ccc([C@@H]2NC(=S)N=C(C)C2C(=O)OC)cc1	0
Nc1ccn(-c2ccccc2)n1	0
COc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1	0
CSc1ncccc1C#N	0
C=C(C)CN(CC)C(=O)C1CC[NH+](Cc2ccccn2)CC1	1
C[C@@H]1C[N@H+](C(C)(C)C)C[C@](O)(c2ccccc2)C1	1
O=C(c1ccc(F)cc1)n1cc(Cl)cn1	0
Cn1c(C(F)(F)F)nc2c1ccc[n+]2C	1
Cc1c(-c2ccccc2)n(C)c(=O)n1C1CC[NH+](Cc2ccccc2)CC1	1
Cc1ccc(/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c(C)c1	0
Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccs2)cc1	0
C=CCC(CC=C)(NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1	0
Cc1c(C#N)c(=O)oc2ccc(Cl)cc12	0
Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1ccc(Cl)cc1	0
CC(C)C(=O)c1c(C(C)C)nn2ccccc12	0
O=C(CSc1nc2cccnc2[nH]1)NCc1ccc2c(c1)OCO2	0
CCC(=O)C1(c2cccc(O)c2)CC[NH+](C)CC1	1
CC(C)[N+]1(C)CC[C@H](O)N1C=O	1
CC[NH+](CC)CC(=O)Nc1cc(C)nn1-c1ccccc1	1
Oc1ccc(-c2nnco2)cc1	0
O=C1C[C@H](N2CCCc3ccccc32)C(=O)N1c1ccccc1	0
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1	0
O=C(NCc1ccccc1)c1ccccc1[N+](=O)[O-]	0
CCC(=O)Nc1sc(Cc2ccccc2)c(C)c1C(N)=O	0
C[n+]1cccc2cc([N+](=O)[O-])ccc21	1
CC(C)CC[n+]1ccc(C(N)=O)cc1	1
O=C(Nn1cnnc1)c1ccccc1	0
CN(C)C(=O)c1ccc[n+](Cc2ccc(Cl)c(Cl)c2)c1	1
Nc1ccccc1-c1n[nH]c(=O)[n-]c1=O	-1
CCC[N@H+]1CCC[C@@H]2c3cc(O)ccc3OC[C@H]21	1
Nc1nc2c(ncn2[C@@H]2C=C[C@H](CO)C2)c(=O)[nH]1	0
CC(=O)Oc1cccc2sc(-c3ccc(C)cc3)nc12	0
CCn1c(C)[n+](-c2ccccc2)c2ccc(S(=O)(=O)N(C)C)cc21	1
CCn1c(C)[n+](CC)c2cc(C(=O)N(C)C)ccc21	1
Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1	0
CC(C)(C)c1cc2c(c(C(C)(C)C)c1O)CC(=O)O2	0
OCn1cnc2ccccc21	0
Cc1c[nH]nc1-c1cccs1	0
Cc1sc2c(c1C)C([O-])=CS(=O)(=O)N2C	-1
FC(F)(F)c1cccc(N2CC[NH2+]CC2)c1	1
O[C@@H](C[NH2+]Cc1ccc2c(c1)OCO2)COc1ccccc1	1
C[C@]12CCC(=O)[C@@]1(C)CCC2=O	0
NC(=[NH2+])c1ccoc1	1
O=c1c(-[n+]2ccccc2)cc2[nH]c3ccccc3c2n1-c1ccccc1	1
CC(C)Oc1ccc(Cc2ccc(NC3=[NH+]CCN3)cc2)cc1	1
[NH3+]C1CCC(OC(=O)CNC(=O)OCc2ccccc2)CC1	1
C#C[C@@](O)(/C=C/Cl)CC	0
C[C@@H]1CC(=O)Nc2ccccc2N1C(N)=O	0
CCC(=O)Oc1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1	0
O=S(=O)(CC[NH2+]C1CCCCC1)c1ccc(Cl)cc1	1
Cc1cc[n+](CCO)c2ccccc12	1
CCC1=C([O-])c2ccccc2S1(=O)=O	-1
Cn1cccc1C[NH2+]C[C@@H]1CCCO1	1
O=c1[nH]cc(-c2cncs2)c(=O)[nH]1	0
C=C(C)C[NH2+]C[C@@H]1OCCc2ccccc21	1
C=CCN(C(=O)c1ccc2nc(C)c(C)nc2c1)c1ccccc1	0
CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(CCC(=O)N2CCOCC2)cc1	2
C[n+]1cccc(C(=O)NC[C@@H]2CCCO2)c1	1
CC(=O)Nc1ccc(S(=O)(=O)NN)cc1	0
COC[C@@H]([NH3+])[C@@H](O)c1ccccc1	1
Cc1nnc2c(N3CC[NH+](C)CC3)nc3ccccc3n12	1
Cc1ccc(S(=O)(=O)[N+]2=CN(C)C(C)(C)C2)cc1	1
C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2ccc(Br)o2)C1C(=O)OCC	1
Nc1nc(N)n(-c2ccccc2)n1	0
COC(=O)CSC1=C(C#N)[C@@H](c2cccc(F)c2)CC(=O)N1	0
CC[NH+](CC)C[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21	1
Nc1ccc(C(F)(F)F)cc1N	0
COC(=O)[n+]1ccc(N2CCOCC2)cc1	1
O=C(Cc1cccc2ccccc12)NN1C(=O)c2ccccc2C1=O	0
O=C1C=CC(=O)N1c1ccccc1Cl	0
Cc1c(C#N)sc(C(N)=O)c1C	0
CCS(=O)(=O)N1CC[NH2+]CC1	1
CC(C)[NH2+]C[C@@H](O)COc1c(F)cc(Br)cc1F	1
O=C(NCC(=O)N1CCC([NH+]2CCCCC2)CC1)C1CCCCC1	1
Cn1ncc(C23CC[NH+](CC2)C3)n1	1
C[N@H+]1CCCN(Cc2cccc([N+](=O)[O-])c2)CC1	1
[NH3+]C1CN(C(=O)[C@H]2CNC(=O)C2)C1	1
O[C@@]1(c2ccc(F)cc2)CC[NH2+]C1	1
CC[C@@]1(C)Cc2c(c([NH+]3CCOCC3)[nH]c(=S)c2C#N)CO1	1
O=C(Cc1ccccc1)Nc1c2c([nH+]c3c1CCC3)CCCC2	1
CCC[NH+]1CCC(N2CCN(c3ccc(C(C)=O)cc3)CC2)CC1	1
CC[NH+](CC)c1ccc(-n2cc3c(=O)n(C)c(=O)n(C)c3c2)cc1	1
C[C@@H]1CCc2c(sc(NC(=O)C3CC3)c2C#N)C1	0
Cc1csc(Cl)c1NC1=[NH+]CCN1	1
CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(C)cc1	0
CN(C)c1nc(N)nc(CN(C)S(=O)(=O)c2ccccc2)n1	0
C=CCn1c(N2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C	0
C[C@@H]([C@@H](O)c1ccccc1)[N@@H+](C)CC(=O)N1CCOCC1	1
COC(=O)CC1(C[NH+](C)C)CCCCC1	1
O=C(N[C@H]1CCc2nc[nH]c2C1)c1ccccc1Oc1ccccc1	0
c1ccc2nc(N3CC[NH2+]CC3)ccc2c1	1
Nc1nc[nH+]c(N2CCCCC2)c1N	1
O=c1sc2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	0
CN(C)/C=[NH+]/Cc1ccccc1OC(F)(F)F	1
Cc1ccc(-c2nn[nH]n2)cc1Cl	0
Cc1cc([N+](=O)[O-])nn1CC(=O)N(C)Cc1ccccc1	0
COc1ccccc1N1C(=O)c2ccc(NC(C)=O)cc2C1=O	0
CCOC(=O)N1CC[NH+](CC2=CC[C@H]3C[C@@H]2C3(C)C)CC1	1
Cc1ccc(-c2nc([N+](=O)[O-])n[nH]2)cc1	0
C(=C1\C[NH+]2CCC1CC2)\c1ccccn1	1
COc1ccc(CCc2nc(C)cc(C[NH+](C)C)c2O)cc1OC	1
O=C(Nc1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2)C(F)(F)F	0
CCCn1c(C)cc(C)c(C#N)c1=O	0
O=C(N[C@@H](Oc1ccccc1)C(Cl)(Cl)Cl)c1ccco1	0
O=C(Nc1ccc(Cl)cn1)C1CC1	0
Cc1ccc2nc(N3CC[NH2+]CC3)c(C#N)cc2c1	1
O=C(OCC[NH+]1CCCCC1)c1ccccc1F	1
C=C(F)c1c[nH]c(=O)[nH]c1=O	0
CC1=[N+](C)c2cc(C(F)(F)F)ccc2C1(C)C	1
Cc1[nH]c2c(F)cccc2c1CC[NH3+]	1
CCN(CC)c1ccc(/C=[NH+]/NC(=S)Nc2ccc(C)cc2)cc1	1
O=C1NC(=O)[C@H]2c3ccccc3C[C@@H]12	0
NC(=O)OC[C@@H](O)c1ccccc1	0
CC(C)(C)[C@@H](O)/C=C/c1ccc2c(c1)OCO2	0
[NH3+]C[C@H]1COc2ccccc2O1	1
C1CCN2C[C@@H]3C[C@@H](C[N@H+]4CCCC[C@H]34)[C@H]2C1	1
CC1=CCN(CCNC(N)=[NH2+])CC1	1
Cc1cc(=O)[nH]nc1Cl	0
O=C1CCNc2ccc(-c3ccccc3)cc21	0
O=[N+]([O-])Nc1ccccn1	0
c1ccc(-c2nnc(-c3ccccn3)o2)nc1	0
Nc1ccc(Cc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1	0
CC(C)=C1C(=O)[N-]N(c2ccccc2)C1=O	-1
CCCC(=O)Nc1c2c(nc3ccccc13)CCCC2	0
C[C@@H]1C[C@H](OC(=O)c2ccccc2)CC(C)(C)[NH2+]1	1
NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1	1
C[NH+](C)CCCn1c(=O)c2ccccc2c2ccccc21	1
CCOC(=O)c1n[n-]c(-c2ccccn2)n1	-1
CCOc1ccc(NC(=O)C[C@@H](C)O)cc1	0
Nc1c2c([nH+]c3ccn(Cc4ccccc4)c(=O)c13)CCC2	1
COc1cc(C[C@@H](C)[NH3+])c(OC)cc1Br	1
FC(F)(F)C1=Nc2ccccc2N(c2ccc(Cl)c(Cl)c2)C1	0
CC(=O)N1CCc2[nH]c3ccc(C)cc3c2C1	0
N=c1n(CC[NH+]2CCCC2)c2ccccc2n1C[C@@H](O)c1ccco1	1
COc1ccc(C(=O)c2c(NC(C)=O)sc3c2CC[NH2+]C3)cc1	1
O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1ccccc1	0
CC(=O)Oc1c2c(c[n+](C)c1C)CO[C@@H](C)OC2	1
CC[NH+]1CCN(c2nnc(-c3ccc(C)c(C)c3)c3ccccc23)CC1	1
CC(=O)c1cc(C2CCCCC2)ccc1OC[C@@H](O)C[NH2+]C(C)(C)C	1
Cn1nnc(NC(=O)c2ccccc2F)n1	0
Fc1ccc(-c2[nH]cc(C3=C[C@@H]4CCC[N@H+]4CC3)c2-c2ccncc2)cc1	1
c1ccc(-c2nn(-c3ccccc3)[n+](-c3ccccc3)n2)cc1	1
Cc1cc(S(N)(=O)=O)c(C)cc1Cl	0
CC(=O)c1cc2c(cc1N)OCO2	0
O=C(NCc1ccco1)c1cc(=O)[nH]c2ccc(Br)cc12	0
Nc1ccc2nc(SCC(=O)NC3CC3)sc2c1	0
CC1(C)Cc2c(sc3[nH]c(=O)n(-c4ccccc4)c(=O)c23)CO1	0
CCOC(=O)c1ccc(C)[n+](C)c1	1
C[NH+](C)CC[C@@H](O)c1ccccc1	1
COc1ccc(CC(=O)N2c3ccccc3Sc3ccccc32)cc1	0
C=CCC(O)(CC=C)[C@@H]([NH3+])Cc1ccccc1	1
CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CC(C)C	0
Nc1cc(Cl)c(Cl)cc1N	0
[NH3+][C@@H](CO)CC1CCCCC1	1
CCOC(=O)C1CC[NH+](CCC(=O)c2ccc(OCC)cc2)CC1	1
COc1cc(OC)nc(C2CC[NH2+]CC2)n1	1
Cc1[nH]c2ccccc2c1[C@@H](C[N+](=O)[O-])c1ccc(N(C)C)cc1	0
CC(=O)ON=C1CC(C)(C)[NH2+]C(C)(C)C1	1
NC1=[NH+]NC2=C(c3cccc(Cl)c3)NNN12	1
Cc1ccc2c(c1)c1c3n2CCN=C3CCC1	0
NC1=[NH+]NC2=C(c3ccc(F)cc3)NNN12	1
CC1(C)[C@H]2CC[C@H](O)[C@@H]1C2	0
Cc1ccc(C[n+]2cccc(C(N)=O)c2)cc1	1
CC(C)[C@@H]1OCC[N+]1(C)C	1
O=C(Oc1ccc(/C=N/c2ccc(F)cc2)cc1)c1cccs1	0
CCc1ccc(Oc2coc3cc(OC(=O)OC)ccc3c2=O)cc1	0
[NH3+]Cc1ccc(N2CCOCC2)cc1	1
C[NH+]1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1	1
N#Cc1c(N)sc2c1CCCC2	0
CCOc1ccccc1NC(=O)c1ccco1	0
CN(C)c1ccc(C[N@@H+](C)C[C@@H](O)c2ccccc2)cc1	1
O=C(c1ccc(F)cc1)N1CC[NH+](C2CCCC2)CC1	1
C[N+](C)(C)c1ccc(C=O)cc1	1
CCOc1cc(/C=N/NC(=O)Cn2cnc3ccccc32)ccc1O	0
CNC(=O)c1cccc(NC(=S)NC)c1	0
C[C@@]1(c2cccc(OCc3ccc(Cl)cc3)c2)NC(=O)NC1=O	0
O=C(c1ccc(F)cc1)[C@@H]1O[C@@]12C(=O)Nc1ccccc12	0
O=C(Cc1ccccc1)Nc1ccc(Br)c(Cl)c1	0
CC1CC[NH+](CN2C(=O)CCC2=O)CC1	1
Cc1n(C)c2ccccc2[n+]1CC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C	1
Cc1cc(=O)oc2c1ccc1occ([O-])c12	-1
COc1ccc(Cc2cnc(N)nc2N)c(OC)c1	0
NC(=O)c1cccnc1OCC(F)(F)F	0
NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1	1
O=C1CCCN(c2ccccc2)N1	0
COc1cc(C[NH2+]Cc2cccnc2)ccc1OCC(N)=O	1
C[N+](=O)Cc1ccc(C(F)(F)F)cc1	1
O=C(Nn1cnc2ccccc2c1=O)c1ccc(Cl)cc1Cl	0
COc1cc(NCc2cc(Cl)cc(Cl)c2OC)ccc1NC(=O)C(C)C	0
CCc1ccc(NC(=O)[C@@H]2CC(=O)N=C(N)S2)cc1	0
OCC[N+]12CCC(CC1)[C@@H](C(O)(c1ccccc1)c1ccccc1)C2	1
COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)C2(CC[NH+](C)CC2)N1	1
C1=C(c2ccsc2)C2CC[NH+]1CC2	1
C1=C(c2cccs2)C2CC[NH+]1CC2	1
C1=C(c2ccoc2)C2CC[NH+]1CC2	1
O=C1CNC(=O)N1c1ccccc1	0
C[NH+](C)CCNC(=O)c1ccc(/C=N/O)nc1	1
O=C(C1CCCCC1)N1CC(=O)N(CCc2ccccc2)[C@@H](O)C1	0
Cc1ccccc1/C=C/C(N)=O	0
COc1cc2c(C)nc3c(c(C)nn3Cc3ccccc3)c2cc1OC	0
CS(=O)(=O)Nc1ccc(F)c([C@@H](O)C[NH3+])c1	1
Cc1sc(=[N+]2CCCCC2)sc1C	1
COc1cccc(Nc2nc(-c3ccc(Cl)cc3)cs2)c1	0
Cc1ccc2[nH]c3c(c2c1)CCN(C)C3	0
CCOC(=O)c1ccc(N2NC(=O)/C(=C\c3ccccc3)C2=O)cc1	0
NC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1	1
O=C(/C=C/c1ccco1)Nc1cccnc1Cl	0
Nc1cccc2[nH+]c[nH]c12	1
FC(F)(F)c1cnc(N2CC[NH2+]CC2)c(Cl)c1	1
O=C(c1ccco1)N1CC[NH2+]CC1	1
O=C1NC(=O)C(=Cc2ccsc2)N1	0
COC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1	0
O=C1C(=Cc2ccc([N+](=O)[O-])o2)C(=O)c2ccccc21	0
Nc1ccc(C(F)(F)F)cc1	0
Nc1nc(N)c2c([nH+]1)CCC2	1
C[C@@H](Sc1nc(N)cc(N)[nH+]1)C(=O)Nc1ccccc1	1
CN(Cc1ccc([N+](=O)[O-])s1)C1CC[NH+](C)CC1	1
Cn1ccc(=O)n(Cc2ccoc2)c1=O	0
CC(C)(CO)c1cc(C(F)(F)F)n[nH]1	0
Clc1cccc2c1CN(C1=[NH+]CCN1)C2	1
Cc1ccc2nsnc2c1NC(=O)Cc1ccccc1	0
Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1	0
CCn1c(=O)sc2cccc(Cl)c21	0
Cc1nc2cc(Br)cnc2nc1C	0
CCOC(=O)c1cc(C[NH3+])c(C)o1	1
[NH3+]Cc1ccc(-n2cccc2)cc1	1
Cn1c(=O)cc(C[NH3+])[nH]c1=O	1
N#CC(=NNc1cccc(C(F)(F)F)c1)C(=N)N1CCCCC1	0
COc1ccc(S(N)(=O)=O)cc1OC	0
CC(C)[C@H]([NH3+])C(=O)N1CCN(C(=O)C[C@@H](C)CC(C)(C)C)[C@H](C)C1	1
N#Cc1cccnc1N1CC[NH2+]CC1	1
COc1ccc2ncn(CCNC(C)=O)c2c1	0
CCN(CC)c1ccc(C=[NH+]NC(N)=N[N+](=O)[O-])cc1	1
Cc1ccc(CCS(=O)(=O)c2ccc(C(C)C)cc2)c[n+]1C	1
CNC1(C#N)CC[NH+](Cc2ccccc2)CC1	1
OCC[NH+](CCO)C1CCC(c2ccccc2)CC1	1
CNC(=O)Nc1ccc(F)c(C)c1	0
Cc1n(C)c2ccccc2[n+]1C	1
CCc1n(C)c2ccccc2[n+]1C	1
Cc1nc2cnccc2n1CCCl	0
Cc1ccc(-c2cc(=O)[nH][nH]2)c(C)c1	0
CC1=C(CC[N@H+]2CCC[C@@H](C(N)=O)C2)C(C)(C)CCC1	1
C(=N/n1cnnc1)\c1ccc(OCc2cccc3ccccc23)cc1	0
O=[N+]([O-])c1ccccc1C[NH+]1CCCC1	1
c1csc(-c2nn[nH]n2)c1	0
Cc1cc(C)nc(SCC(=O)c2ccc(Br)cc2)n1	0
COc1cc2nc(=S)n(CC[NH+](C)C)c(N)c2cc1OC	1
COc1ccc(-c2nc3cc(C)ccc3o2)cc1NC(=O)c1ccco1	0
Cc1ccsc1C[NH2+]C[C@@H](C)O	1
Cc1cc(-c2cc(=O)[nH][nH]2)c(C)s1	0
Clc1cc2nc[nH]c2cc1Cl	0
Cc1cc(C)c(/C=N\O)[nH]1	0
C[N@H+]1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](O)c1ccccc1)C2	1
Cc1nc(Oc2ccc3ccccc3c2)c2c3c(sc2n1)CCCC3	0
Cc1ccc(S(=O)(=O)Nc2ccc(Oc3cccnc3)nc2)cc1	0
C[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1	1
COc1ccc(OC)c2c(N3CCOCC3)cc(C(F)(F)F)nc12	0
CC(=O)Nc1ccc(S(=O)(=O)COC(C)=O)cc1	0
COc1ccc2ccccc2c1/C=C(\C#N)C(N)=S	0
CCc1ccc2c(c1)N(C[C@H](C)C[NH+](C)C)c1ccccc1S2	1
C[C@@H]1C[C@H](OC(=O)[C@H](O)c2ccccc2)CC(C)(C)[N@H+]1C	1
O=C1[C@@H](N2CCCCC2)CCN1c1ccccc1	0
CCOC(=O)CSc1nc2ccccc2c(=O)n1CC1CCCC1	0
C[NH+](C)CCn1cnc2ncccc2c1=O	1
Cc1c(C[N@@H+](C)CCc2ccccc2)c(=O)n(-c2ccccc2)n1C	1
Cc1cc(C)c([N+](=O)[O-])c(C)c1C=O	0
Cn1ccc(N2C(=O)c3ccccc3C2=O)n1	0
C=CC[NH+](CC=C)Cc1c[nH]c2ccccc12	1
Nc1cccc2cccnc12	0
CC1=CC(=O)N(c2ccn(C)n2)C1=O	0
COc1cc(C2N(c3ccccc3)CCN2c2ccccc2)ccc1O	0
C[C@@]([NH3+])(Cc1cccc(O)c1)C(=O)[O-]	0
c1ccc2c(c1)CSc1ccccc1[C@@H]2CNC1=[NH+]CCN1	1
CNS(=O)(=O)c1cnccc1N1CC[NH+](C(C)C)CC1	1
O=C(Nc1ccccn1)c1cccc(N2C(=O)CCC2=O)c1	0
CC(C)(C)C(=O)C[n+]1cn(N)cn1	1
CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H]([NH+]2CCCCC2)[C@@H]1O	1
Clc1ccc(OCc2nc(-c3ccccn3)no2)c(Cl)c1	0
C[NH+](C)CCNc1ncnc2ccccc12	1
O=c1cc(-c2ccc3c(c2)OCCO3)oc2ccc([N+](=O)[O-])cc12	0
CCc1cc2c(=O)n(Cc3cccc(Br)c3)cnc2s1	0
CC(C)[C@@](O)(C#CC[NH+]1CCCCCC1)c1ccccc1	1
c1ccc2c(c1)nc1n2CC[NH2+]C1	1
NC(=O)N1CCN(C(=O)C[NH3+])CC1	1
O=C1c2ccccc2C(=O)N1[C@H]1CCC[N@H+]2CCCC[C@@H]12	1
O=C(NC[n+]1ccccc1)c1ccccc1	1
C[NH+](C)C[C@@H]1Oc2ccccc2O[C@@]1(O)c1ccccc1	1
O[C@@H](C[NH2+]C1CCCCC1)c1ccccc1	1
CO[C@@H](C(=O)NCc1ccc(Cl)cc1Cl)c1ccccc1	0
Cc1cc(N)c2c([nH+]1)N(C)CC2	1
OC1CCN(Cc2c(Cl)cccc2Cl)CC1	0
CC(/C=C/c1ccccc1)=N/O	0
Nc1ccccc1C(=O)N1CCCC1	0
Cc1nnc2c(C)c3[nH][nH]c(C)c3cc12	0
CCn1c([C@@H](O)c2cc(OC)c(OC)c(OC)c2)nc2ccccc21	0
O=C(c1cccnc1)N1NC(C(F)(F)F)=C[C@@]1(O)c1ccncc1	0
C[C@@H]1CN(C2CC[NH2+]CC2)C[C@@H](C)O1	1
COc1ccc(C[C@@H](C)[NH3+])cc1	1
NC(=O)SCC(=O)Nc1ccc(Cl)cc1Cl	0
C[N@H+]1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](O)C=C[C@H]3[C@H]1C5	1
CC(C)CC[N@H+]1CCC[C@@H](C(N)=O)C1	1
Cc1nc2ccccn2c1C(=O)NC1CCCCC1	0
NC(=[NH2+])c1csc2ccccc12	1
Cc1[nH]c(C=O)c(C)c1C	0
Cc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1	0
CCc1cc(CNc2cc(CC)c(C)[nH]c2=O)c(OC)nc1C	0
CC(=O)Nc1ccc(-c2cn3nc(-c4ccc(C)cc4)sc3n2)cc1	0
COc1ccc(-c2ccc[nH]2)cc1	0
NC(=O)Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1	0
Cc1nn2c3ccccc3n(C)c2c1C(=O)OCC[NH+](C)C	1
Cc1cc(N(C)C)ccc1C[C@H](C)[NH3+]	1
Cc1cc(C[NH3+])c(C(F)(F)F)o1	1
NC(=O)c1cc2ccccc2oc1=O	0
COC(=O)Cn1c(C)cc(C=O)c1C	0
Cc1cc(C[NH3+])c(C)o1	1
C=CCn1ccc(=O)c(O)c1C	0
O=C(NO)C12CCC(CC1)C2	0
CC1(C)C=C(c2ccc(O)c(O)c2)CC(C)(C)[NH2+]1	1
CCCn1oc2c(c1=O)CC[NH2+]CC2	1
COc1cc(-c2[nH+]c3ccccn3c2N)ccc1O	1
Oc1cc2c(c(Cl)c1O)CC[NH2+]C[C@H]2c1ccccc1	1
Cc1ccc(C)c(N2C(=O)C=CC2=O)c1	0
OCC[NH+](CCO)Cc1ccc(Cl)cc1	1
Cc1ccc2[nH]c3c(c2c1)CCc1nonc1-3	0
Nc1nc(-c2ccccc2)nc(-n2cccc2)n1	0
O=c1[nH]c2nc(-c3ccccc3)cn2[nH]c1=O	0
CCOC(=O)c1ccc(N(C[C@@H](C)O)C[C@@H](C)O)cc1	0
CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)N1CCOCC1	0
CN1C[C@H](CC[NH+](C)C)Oc2ncccc2C1=S	1
Cc1ccc(N2C(=O)[C@@H]([NH+]3CCCCC3)[C@@H](C)C2=O)cc1	1
COc1c2n(c3ccc(F)cc13)CC[NH2+]C2	1
Fc1cccc2c1O[C@@H]1C[NH2+]C[C@H]1O2	1
Cc1ccc(NC(=O)CC[NH+]2CCCC2)cc1	1
Cc1cccc(Cc2cnc(NC(=O)/C=C/c3ccccc3C)s2)c1	0
CN(Cc1ccccc1)C(=O)[C@@H]1CCCc2nc[nH]c21	0
Cc1sc2[nH]c(=O)n(-c3ccccc3)c(=O)c2c1C	0
O=C(Cc1ccccc1)NCc1ccco1	0
NC(=O)Cn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O	0
N#Cc1cc(Cl)ccc1N	0
C[NH+]1CCN(c2ncnc3ccc(Br)cc23)CC1	1
O=C1CCCN1C[C@@H](O)CS(=O)(=O)c1ccc(Cl)cc1	0
C(=Nc1ccc2n[nH]cc2c1)c1ccc2c(c1)OCO2	0
Cc1ccc2c3c([nH]c2c1)CC[N@H+](C)C3	1
N#Cc1sc(N)c(C#N)c1N	0
CC(C)(C)C(=S)NN	0
O=c1[nH]c(=O)c2ncc(-c3ccccc3)nc2[nH]1	0
CC(=O)c1sc(N)nc1C	0
Cn1nc(C(=O)NCC23CCC[NH+]2CCC3)c2ccccc21	1
C[N@H+]1[C@H]2CC[C@@H]1CC(OC(=O)CCN1CCOCC1)C2	1
O[C@]12CCC[C@H](CC1)C2	0
COc1cc2[nH]c(C)[nH+]c2cc1OC	1
COc1ccc(S(=O)(=O)Nc2ccc3c(c2)COC3=O)cc1OC	0
COc1ccc(-c2noc(COc3ccc(Cl)cc3C)n2)cc1	0
NC(=O)c1c(NC(=O)[C@H]2C[C@H]2c2ccccc2)sc2c1CCCC2	0
COc1cccc(C(=O)NC2=NCCS2)c1	0
COc1cc(C(=O)Nc2ccc(C(N)=O)cc2)c([N+](=O)[O-])cc1OC	0
COc1ccc2sc(C)[n+](C)c2c1	1
Cc1noc(COc2ccccc2OC[C@H](O)C[NH2+]C(C)(C)C)n1	1
Cc1ccc(S(=O)(=O)CC(=O)NC2CC2)cc1	0
Fc1cnc(N2CCOCC2)nc1NCc1ccccc1	0
CC1=NN(C)C(=O)CC1	0
CSc1cccc(NC(=O)CCSc2ccc(Cl)cc2)c1	0
C[NH+](C)C[C@@H]1CSCC[C@@]1(O)c1ccccc1	1
FC(F)(F)c1cccc(N2CC[NH+](CCc3nnc4n3C[C@@H]3CCC[C@H]43)CC2)c1	1
O=C(CC(=O)Nc1ccc(F)cc1)Nc1ccc(F)cc1	0
COc1ccc(CNC(=O)N2CCOCC2)cc1	0
CC(=O)N(C)c1cccnc1	0
C[N@H+]1CCC[C@H]1CCSc1ccncc1	1
c1ccc2nocc2c1	0
Cc1ccc(NC(=S)N(CC[NH+](C)C)Cc2cccs2)cc1C	1
COc1ccc(CC(=O)N2CCCC2)cc1	0
C[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccccc2)CC1	2
[NH2+]=C1N[C@@]2(CCc3cccc(Cl)c3C2)CO1	1
C1=[NH+]C[C@@]2(CCc3ccccc3C2)N1	1
Brc1cncc(N2CC[NH+]3CCC2CC3)c1	1
C[C@@H](C(=O)Nc1ccccc1C#N)N1C(=O)c2ccccc2C1=O	0
NC(=O)c1cccc(C(F)(F)F)n1	0
Oc1ccc(Cl)cc1C1=CC(C(F)(F)C(F)F)=NCCN1	0
O[C@@H](CN(c1ccccc1)c1ccccc1)C[NH+]1CCCCC1	1
C=CCc1c(N)nc(C)[nH+]c1C	1
CCc1nnc(NC(=O)CSc2nc(C)cc(C)c2C#N)s1	0
c1ccc2cc(-c3csc4ncnc(N5CCOCC5)c34)ccc2c1	0
S=C(NC1CC1)N1CCC[N@@H+](Cc2cccc3ccccc23)CC1	1
[NH3+]C[C@@H](O)COCc1ccco1	1
CCOC(=O)/C=C/[n+]1cccc(C)c1	1
CC[n+]1ccc(C)c(CCOC(C)=O)c1	1
Cc1ccc(NN)cc1C	0
[NH3+]Cc1csc(-c2ccccc2)n1	1
O=C(N/N=C/c1ccco1)C1CCN(Cc2ccc(Cl)cc2)CC1	0
C=CCN(C1=[NH+]CCN1)c1c(Cl)cccc1Cl	1
C[C@H]([NH3+])CN1CCc2ccc(Br)cc21	1
Cc1nc2scc(C)n2c1CO	0
CC[NH+](CC)CC(=O)Nc1scc2c1c(=O)oc1ccccc12	1
Nc1cccc(O)c1	0
COc1cccc(CC[NH3+])c1	1
FC(F)(F)c1ccc2nccnc2c1	0
COc1cc(N)cc(C(F)(F)F)c1	0
COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cccc(OC)c1O	0
CC(=O)O/N=C/c1n[nH]cc1Br	0
COc1ccc(C(=O)OC[C@@H]2CCC[N+]3(C)CCCC[C@@H]23)c(OC)c1	1
CCOc1ccccc1C[NH+]1CCC(C(=O)N2CCCC2)CC1	1
CC(=O)Nc1c(F)cccc1F	0
CCn1c(C)nc2cc(O)ccc21	0
N#Cc1c(NC(=O)Cc2cccc3ccccc23)sc2c1CCCC2	0
Cc1ccc(S(=O)(=O)Nc2ncccn2)cc1	0
Nc1cccnc1Cl	0
Cc1[nH]nc2c1[C@@H](c1ccc3ccccc3c1)C(C#N)=C(N)O2	0
Oc1ccc(F)cc1	0
Cc1nn(C[C@@H](C)[NH3+])c2cc(O)ccc12	1
CSc1nc(C)cc(SC(N)=[NH2+])n1	1
Cc1ccc(/C=C2/N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)o1	0
O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc([N+](=O)[O-])cc1	0
Nc1nnc(SCC(=O)c2cccc3ccccc23)s1	0
C[C@@H]([NH3+])Cc1cn(C)c2ccc3c(c12)CCCO3	1
Cc1[nH]c2ccc(F)cc2c1CC[NH3+]	1
O=C(NC1CCCCC1)c1ccco1	0
COc1cc([C@@H]2C(C(N)=O)=C(C)N=C3N=CNN32)cc(OC)c1OC	0
COC(=O)c1cnn(C(=O)Nc2c(C)cccc2C)c1C(OC)OC	0
COc1ccc([C@@H]2[NH2+]CCS2)cc1	1
OC[C@H]1CCC[N@H+]2CCCC[C@@H]12	1
COc1ccc(/C=C/Cc2cc3c(cc2O)OCO3)cc1	0
CN(c1ncnc2sc3c(c12)CCCC3)C1CC[NH+](C)CC1	1
CCC[N@@H+](CCO)Cc1ccc([N+](=O)[O-])cc1	1
CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(F)cc1	0
COc1ccc(C[NH2+]Cc2ccccc2)cc1OC	1
CC(C)(C)NC(=O)C1CC1	0
C[NH+]1CCC(NCc2ccncc2)CC1	1
CNC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1	0
COC(=O)c1cc(C[N+](C)(C)C[C@@H](O)CO)c(Cl)cc1Cl	1
COc1ccc(Cl)c2c1CCC[C@@H]2N(C)C	0
Cc1cn2c(nc3c2c(=O)[nH]c(=O)n3C)[nH]1	0
NNc1[nH+]cnc2ccc(Cl)cc12	1
O=C(Cc1cccs1)Nc1ccccc1F	0
O=C1CCCN=C(Nc2cccc(F)c2)S1	0
O=C1OCc2ccccc21	0
C1C[NH+](C2C3CC4CC(C3)CC2C4)CCO1	1
Cc1cccc[n+]1CC#N	1
[NH2+]=c1ccn(Cc2ccccc2)cc1	1
CCOC(=O)C(C#N)=NNc1ccc2[nH]c(C)[nH+]c2c1	1
CCOC(=O)c1c(C)[nH]c2cc(Br)c(OC(C)=O)cc12	0
COc1cc([C@@H]2NC(=O)N(C)C3=C2C(=O)CCC3)ccc1O	0
C[n+]1ccc(-c2ccccc2)nc1	1
CC(=O)Nc1cccc(-c2cc(-c3ccc(Cl)cc3Cl)no2)c1	0
CNC(=S)n1nc(-c2ccc(Cl)cc2)nc1N	0
Nc1c(F)cc(F)cc1F	0
C[C@@H](O)/C=C/c1cccc[n+]1C	1
O=c1[nH]c2cc(Cl)c[n+]([O-])c2[nH]c1=O	0
COC(=O)c1cc(-c2ccccc2OC)on1	0
CC(=O)C1=C(N)C(=O)N(C2CCCCC2)C1	0
COc1ccc(O)c(C=Nc2nnc[nH]2)c1	0
COC(=O)[C@@H]1C[NH2+][C@@H]2C(=O)NC[C@@H]2C1	1
Cn1c(=O)[nH]c(=O)c2nc(N3CCCCCC3)[nH]c21	0
C[n+]1cccc(C(N)=O)c1	1
CN1CCN(Cc2ccc([N+](=O)[O-])s2)CC1	0
CC(=O)O/N=C(/C)c1ccccc1	0
COc1ccc(/C=N/NC(N)=S)cc1O	0
NNc1[nH+]cc(Cl)cc1Cl	1
[NH3+][C@@H](Cc1ccccc1)c1ccc2c(c1)OCCO2	1
CC[NH+](CC)CCn1cnc2c([nH]c3cc(OC)c(OC)cc32)c1=O	1
CN(C(=O)Cc1cccs1)C1(C(=O)NC2CCCC2)CCCCC1	0
C[C@]12CC3([NH3+])CC(O)(C1)C[C@@](C)(C3)C2	1
O[C@@H](C[n+]1ccccc1)c1ccccc1	1
CCc1ccc2scc(CCNC(C)=O)c2c1	0
O=C(COc1ccc(/C=C2/NC(=O)NC2=O)cc1)Nc1ccccc1	0
CC1=C[C@H](C)[C@H](COC(=O)C[NH+]2CCCC2)[C@@H](C)C1	1
COc1cc(C(=O)[O-])nc(-c2cscn2)c1OC	-1
COc1ccccc1NC(=O)c1c(N)sc2c1CC[N@@H+](C)C2	1
Cc1nnc(C(=O)c2ccccc2)o1	0
CCCc1ccc2c(N)c(C(=O)c3ccc(Cl)cc3)sc2n1	0
NOCC1CC([NH3+])C1	1
CCN(CC)C(=O)[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1	1
CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccncc1	1
COc1ccc2nc3n(c2c1)SCc1c(C)c(OC)c(C)c[n+]1-3	1
[NH3+]C(CO)(CO)COCc1ccccc1	1
Nc1cccc(Nc2ccccc2)c1	0
O=C1CC[C@H]2C(=O)N3C(=O)CC[C@H]3C(=O)N12	0
O=C1C[C@H]([NH+]2CCC(C3CC[NH+]([C@H]4CC(=O)NC4=O)CC3)CC2)C(=O)N1	2
O=c1[nH]cc(-n2c(=O)c3ccccc3c3ccccc3c2=O)c(=O)[nH]1	0
Cc1nc(-c2n[nH]c(C)n2)n[nH]1	0
Cc1ccc(C(=O)CSc2nc(-c3cccnc3)ccc2C#N)cc1	0
CC(C)CNS(=O)(=O)c1ccccc1	0
O=S(=O)(c1ccccc1)N(Cc1ccccc1)c1ccccn1	0
CC[NH+]1CCN(c2oc(COc3ccccc3)nc2C#N)CC1	1
CN1CCC[NH+]=C1/C=C/c1cccs1	1
NC(=[NH2+])NN=Cc1ccc(O)cc1	1
Cc1sc2ccccc2[n+]1C	1
Cc1[nH+]c2cc(N)ccc2n1CCO	1
O=C(C1c2ccccc2Oc2ccccc21)N1CCOCC1	0
Cc1nc(N2CC[NH+](C)CC2)c2cnn(CCc3ccccc3)c2n1	1
C#CCN(C)C(=O)C1c2ccccc2Oc2ccccc21	0
Nc1cccc(C2=N[C@@H]3C=CC=C[C@@H]3[NH+]=C2)c1	1
Cc1ccc(C(=O)N2CCCC2)cc1	0
S=c1[nH]ccn1Cc1ccco1	0
Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(F)cc1	0
O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1ccc(O)cc1)C31CC1	0
COc1cccc(C[NH+]2CCSCC2)c1	1
CC[n+]1ccnc(Cl)c1	1
Nc1ccc(Cl)cc1NC(=O)Nc1cccc(C(F)(F)F)c1	0
CCC[N@@H+](CCO)Cc1ccc(N(C)C)cc1	1
Fc1cccc2c1CN([NH+]=C1NCCN1)C2	1
Cc1ccccc1C(=O)Nc1nc2ccc(Br)cc2s1	0
O[C@@H]1CC[NH2+][C@H]2CCCC[C@H]21	1
CC[NH+](CC)C[C@@H](O)COc1cc(C(F)(F)F)ccn1	1
CNC(=O)Nc1ccc(F)cc1Cl	0
CCC[C@@H](C)C(=O)Nc1cc(C)ccn1	0
O=C1[N-]C(=S)NC1=Cc1cc2c(cc1[N+](=O)[O-])OCO2	-1
Cc1ccc(OCc2nn3c(=O)c(C)nnc3s2)cc1	0
C[NH2+][C@@H](C)C(=O)c1ccccc1	1
CNC(=O)Oc1cccc2c1OC(C)(C)C2	0
O=C(Nc1cc2cc([N+](=O)[O-])ccc2oc1=O)c1c(F)cccc1F	0
Cc1cccn2cc[nH+]c12	1
CCCc1ncc(C[n+]2ccccc2C)c(N)n1	1
Nc1cccc(-n2ccccc2=O)c1	0
Nc1nc2ccc(C(=O)N3CCOCC3)cc2s1	0
COC(=O)/C(C#N)=C/c1cccn1C	0
Nc1cc(F)c(F)c(F)c1F	0
C=C(C)CS(=O)(=O)c1ccccc1	0
COc1cccc([C@@]2(O)CCCC[C@@H]2C[NH+](C)C)c1	1
COc1cc(/C=C2\CCCC2=O)ccc1OCc1ccccc1	0
Oc1ccc(C[C@@H]2[NH2+]CCc3cc(O)c(O)cc32)cc1	1
COc1ccc(C[C@H](C)[NH2+]C[C@@H](O)c2ccc(O)c(NC=O)c2)cc1	1
CC(C)=CCS(=O)(=O)c1ccccc1	0
c1cncc(OC[C@H]2CC[NH2+]2)c1	1
CCOC(=O)NC(C)(C)Cc1ccc(Cl)cc1	0
CC1=NN(C(=O)CSc2ccccn2)[C@@](C)(O)C1	0
CC1(C)NC(=[NH2+])NC(=N)N1OCc1ccc(Cl)c(Cl)c1	1
C[NH+](C)CCCn1c(=O)n(-c2ccccc2)c2cc(Cl)ccc21	1
O=S(=O)(c1cc(Cl)ccc1Cl)n1cnc2ccccc21	0
O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1c1ccccc1O	0
CN(/N=C/c1cccn1C)C1=[NH+]CCN1	1
Fc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2OC3)cc1	1
[NH3+][C@@H](Cc1c[nH]c2cc(Cl)cc(Cl)c12)C(=O)[O-]	0
O=C(c1ccccc1)c1cccnc1C(=O)[O-]	-1
C=C1[NH+]2CCC(CC2)[C@@]1(O)c1ccccc1	1
CCN(CC)C(=O)[C@@H]1CCC[NH2+]C1	1
O=C1C=C(Cl)C(=O)C(Cl)=C1	0
Brc1csc(Cc2c[nH]cn2)c1	0
OC1CC[NH+](C[C@@H]2CC=CCC2)CC1	1
C[C@H](C(=O)[O-])c1ccc(/C=C2\CCCCC2=O)cc1	-1
Cc1csc(Cc2c[nH]cn2)c1C	0
c1ccc(-c2nnc(OCC[NH+]3CCCCC3)c3ccccc23)cc1	1
O[C@@H](COc1ccccc1Br)Cn1cnc2ccccc21	0
C[NH+]1CCN(c2nc(-c3ccco3)cc(C(F)(F)F)n2)CC1	1
COc1cc(NC(=O)CC[NH+]2CCCCC2)cc(OC)c1	1
CC1(C)C(c2ccccc2)[N+](=O)[C@@H](c2cccnc2)N1O	1
c1cnc2cc(NC3=[NH+]CCN3)ccc2n1	1
N=C(NNS(=O)(=O)c1ccccc1C(F)(F)F)c1ccccn1	0
COC(=O)C1[C@@H](c2c[nH]c3ccccc23)[C@@H](C(=O)OC)O[N+]1=O	1
N#CCc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1	0
Nc1nc2c(Cl)c(Cl)ccc2s1	0
N#CCc1ccc(NC(=O)COc2ccccc2Cl)cc1	0
CC(C)(C)[NH2+]C[C@H](O)c1cc(Br)no1	1
Cc1cc(=O)oc2cc(N)ccc12	0
OCc1ccccc1C[NH2+]C1CCCCC1	1
CCOC(=O)CSc1nnc(-c2cc(Cl)nc(Cl)c2)n1C	0
O=C(Nc1ccccc1O)c1ccccc1	0
C=CC[n+]1c(C)n(CC)c2cc(C(=O)OCC)ccc21	1
CN1C(=O)COc2c(C(=O)N[C@H]3CN4CCC3CC4)cc(Cl)cc21	0
CCSC(=O)c1cccc(C(=O)SCC)c1	0
COc1cc(C)c(OC)c(C)c1CC1=[NH+]CCN1	1
Cc1ccc2cc([N+](=O)[O-])ccc2n1	0
Cc1ccc2occ(CN3CCC([NH+]4CCCCC4)CC3)c(=O)c2c1	1
CN(C)C(=O)Cc1c(-c2ccccc2)[nH]c2ccccc12	0
C[N@H+]1CCC2=C(C1)c1nsnc1SC2	1
Cc1cc(C)c(C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)c1	0
Cc1nnc2c(=O)[nH]c3cc(Cl)c(Cl)cc3n12	0
[NH3+][C@H](C(=O)[O-])c1ccc(C=O)c(O)c1	0
COc1cc2c(cc1OC)[C@@]1(C)N(CC2)C(=O)OC1(C)C	0
O=C1c2ccccc2C(=O)N1CCSC(=S)N1CCCCCC1	0
O=C(NC(c1ccccc1)c1ccccc1)c1ccco1	0
Cc1cccc(OC[C@@H](O)C[NH+]2CCC(C)CC2)c1	1
O=C(CSc1nnc2n1CCCCC2)Nc1ccc(F)cc1	0
Cc1ccc(/C=C2\NC(=S)N(c3ccccc3)C2=O)cc1	0
O=C(NC1(O)C(=O)c2ccccc2C1=O)c1ccc(C(F)(F)F)cc1	0
[NH3+]CC(=O)Nc1ccc(C(F)(F)F)cc1	1
O=C1Cc2c(ccc3c(CCC4CC[NH+](Cc5ccccc5)CC4)noc23)N1	1
O[C@@H]1C[N+]2(Cc3ccccc3)CCC1CC2	1
CCN(CC)C(=O)N1CCOCC1	0
O=C(N1CCOCC1)N1CCc2ccccc21	0
CC1CCN(C(=O)c2ccccc2)CC1	0
CCn1c(N)[nH+]c2ccccc21	1
O=C1N=NC(c2ccccc2)CN1	0
COc1ccc(-c2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1	0
O=C(NCc1ccccc1)[C@@H]1CC[C@@H](C(=O)NCc2ccccc2)[NH2+]1	1
CC(=O)c1sccc1NC(=O)CSCc1ccc(Cl)cc1	0
COC(=O)/C=C/C(F)(F)F	0
CC(=O)COc1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1	0
CC1CCN(C(=O)[C@@H](C)Oc2ccccc2)CC1	0
CC1(C)C=C(N2CCCCC2=O)c2ccc(C(F)(F)F)cc21	0
C[C@@H]1CCc2c(sc(NC(=O)CSc3nccn3C)c2C#N)C1	0
NC(=[NH2+])c1ccc(C(F)(F)F)cc1	1
Cc1cc(C=O)oc1C	0
CCOC(=O)c1oc2ccccc2c1C[NH+]1CCC(C(N)=O)CC1	1
COc1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC	0
S=c1[nH]ccn1Cc1ccsc1	0
[NH3+]Cc1ccc(F)c(F)c1	1
[NH3+]Cc1c(F)cccc1F	1
[NH3+]Cc1cc(F)ccc1F	1
O=C([O-])c1ccc(=O)[nH]n1	-1
O=C(CN(C(=O)C1CC1)C1CC1)N(Cc1ccco1)C[C@@H]1CCCO1	0
CC(C)(C)NC(N=N)NCC1CC1	0
Cc1cc(-c2ccccc2)o[n+]1C	1
CO[C@H]1C[C@H](C)N=C(SC)N1C	0
COc1ccc(-c2cc(C#N)nc(N3CC[NH2+]CC3)n2)cc1	1
COc1cc2c(cc1OC)C(=O)[C@@H](Cc1cc[n+](Cc3ccccc3)cc1)C2	1
C[C@@H](C1CC[NH+](Cc2ccnn2C)CC1)[NH+]1CCOCC1	2
CN(C)c1nccc(N(CC[NH+](C)C)Cc2ccccc2)c1C#N	1
O=C(COCC(=O)c1ccccc1)Sc1nc2ccccc2o1	0
O=[N+]([O-])c1cc2c(cc1CC1CC1)OCCO2	0
COc1ccc(C(=O)OC2C[C@@H]3CC[C@H](C2)[NH2+]3)cc1OC	1
CC(=O)N1CCC([N@H+]2C[C@@H]3C[C@H](C2)c2ccc(NC(=O)C[NH+](C)C)c(=O)n2C3)CC1	2
N#Cc1ccccc1N	0
COC(=O)c1sc2ccc(OC)cc2c1Br	0
C[C@@H]1CN(C2=[NH+]CCN2)C[C@@H](C)O1	1
O=C(/C=C/c1ccc(F)cc1)Nc1ccccn1	0
O=C(Nc1ccccn1)c1ccc(NC(=O)C(F)(F)F)cc1	0
CC(=O)c1cccc(N)c1	0
C[NH+](C)CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21	1
Cc1ccc(S(=O)(=O)N(CCC(N)=O)Cc2ccccc2)cc1	0
CC(C)(Cl)C[N+](C)(C)C	1
NC(=S)c1ccc(C2OCCO2)cc1	0
O=C(NC(=S)NN=c1[nH]cccc1-n1cccc1)c1ccccc1	0
COc1cc(S(=O)(=O)NCc2cccnc2)ccc1F	0
NNc1cc(-c2ccccc2)nc[nH+]1	1
CC(=O)Oc1ccc(-c2nc3cc(Cl)ccc3c(=O)o2)cc1	0
CCc1[nH]c(=S)c(C#N)c(-c2ccccc2)c1C(=O)OC	0
COC(=O)[C@@H]1C[NH2+]CCN1c1ccccc1	1
C[N+](=O)Cc1ccccc1OCc1ccccc1	1
NC(=[NH2+])COc1ccccc1	1
CC(C)(C)c1ccc(OCC(N)=[NH2+])cc1	1
Cc1cc(C)[n+]2ccsc2n1	1
NC(=[NH2+])COc1ccccc1Cl	1
C[n+]1ccnc(N)c1	1
CCOC(=O)c1c(C)oc2cc(C[NH+](C)C)c(O)cc12	1
O=c1[nH]sc2cc(Cl)ccc12	0
CCNc1nc(NC(C)C)nc(Oc2ccc(C(=O)OC)cc2)n1	0
CCc1ccc(C(=O)C=CSc2nc3ccc(C)cc3[nH]2)cc1	0
COc1ccc(C[NH2+][C@@H](C)[C@@H]2COc3ccccc3O2)c(OC)c1	1
[NH3+][C@@H]1CCCc2c1[nH]c1ccc([N+](=O)[O-])cc21	1
Cc1cc(Cl)nc(Cl)c1C(N)=O	0
CC1(C)NC(=O)N(c2ccccc2)N1	0
OCc1c(Cl)c(Cl)c(-c2ccc(O)cc2)c(Cl)c1Cl	0
NNc1cnc2ccccc2[nH+]1	1
COc1cccc(-c2c(C(N)=O)nnc3cc(-c4ccccc4)nn23)c1	0
COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccc(Cl)cc1	0
Cc1cc(C)n(-c2cc(C)[nH+]c(N)n2)n1	1
COc1ccc(-c2ncnn2-c2ccc(Br)cc2F)cc1	0
CC1(C)[C@H]2CC=C(C[N@H+]3CCC[C@@H]3CO)[C@@H]1C2	1
COc1ccc([C@@]2(O)CN3CCCSC3=[N+]2c2ccc(Br)cc2)cc1	1
[NH3+]CCCO[C@@H]1CO[C@@H]2[C@H]1OC[C@H]2OCCC[NH3+]	2
CC(C)C[NH+]1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1	1
c1ccc2cc3c(NCCN4CCOCC4)cc[nH+]c3cc2c1	1
O=S(=O)(Cc1cccc[n+]1Cc1ccccc1)c1ccccc1	1
O[C@@H]1CCC[N@H+]([C@@H]2CCc3ccccc3C2)C1	1
O=C(Nc1ccccc1)C(=S)N1CCOCC1	0
O=C(Nc1ccc2c(c1)OCO2)c1cncc(Br)c1	0
COC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O	0
CN(C)C(=O)[n+]1ccc2ccccc2c1	1
COc1ccc(OC)c(/C=C/C(=O)NC[C@@H]2CCCO2)c1	0
Cn1nc(-c2ccccc2)cc1N	0
C[NH+](C)CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1	1
OC[C@@H](O)COc1ccc(Cl)cc1	0
CN1C(=O)CCS(=O)(=O)[C@H]1c1ccc(Cl)cc1	0
CC(=O)NC1(O)C(=O)c2ccccc2C1=O	0
C[C@@H]1O[C@@]2(CS1)C[NH+]1CCC2CC1	1
CC(C)[NH2+][C@@H](C)Cc1ccc(O)cn1	1
CC[N@H+]1[C@H]2CC[C@@H]1CC(O)C2	1
Cc1cccc(C)c1NC(=O)[C@@H]1CCCC[N@@H+]1C	1
COc1ccc(CCC(=O)Nc2ccc3c(c2)OCO3)cc1	0
Cc1ccc2[nH]c(-c3cc[n+](C)cc3)cc2c1	1
CCC1CCC([N@H+]2CCC[C@@H](C(N)=O)C2)CC1	1
O=C1CCC(c2ccccc2)=NN1	0
CC[C@@]1(O)C[C@H](C)[N@@H+](C)C[C@@H]1C	1
CC(=O)Nc1sc2c(c1C#N)CCC2	0
CC(=O)c1ccc(NC(=O)c2c(C)cc(=O)oc2C)cc1	0
Cc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCCC1	0
CCOC(=O)c1sc2ncnc(N3CC[NH+](CC)CC3)c2c1C	1
OC[C@H]1C[C@@H]1c1c[nH]cn1	0
CCC(CC)C(=O)Nc1c2c(nn1-c1ccc(C)cc1C)CSC2	0
C=CC[N+]1(CN2C(=O)c3ccccc3C2=O)CCCCC1	1
O=C1N[C@@H]2CCCCCC[C@@H]12	0
O=CN1CCc2scc[n+]2-c2ccccc21	1
C[C@@]12[NH2+]CCN1C(=O)OC21CCCCC1	1
C=CCn1c([C@H](C)Oc2ccccc2-c2ccccc2)n[nH]c1=S	0
[NH2+]=C1Cc2ccccc2CN1c1cccc([N+](=O)[O-])c1	1
O=C1NC(=O)[C@@H](c2cccc3ccccc23)N1	0
C[C@@H]([NH3+])C(=O)N1CCC(O)CC1	1
Cc1cccc2c1CCC[C@H]2c1c[nH]cn1	0
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cn1	0
O=C1NCCN1C(=O)Nc1ccc(O)c(O)c1	0
Cc1cc(C)nc(SCC(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)n1	0
Cc1cc(C)n(C(=O)c2ccc(NC(=O)C3CC3)cc2)n1	0
NNc1c(F)c(F)cc(F)c1F	0
O=CN1CCc2ccccc21	0
Cc1ccc(SCC(=O)Nc2ccccc2C#N)cc1	0
Cc1cc(=O)n(-c2cccc([N+](=O)[O-])c2)[n-]1	-1
c1ccc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)nc1	0
Nc1cnc2ccccc2c1	0
COC[C@@H]1CCCN1C(=O)c1ccccc1OC	0
Cc1ccc(NC(=O)[C@@H]2C=C(O)NC(Nc3cccc(C)c3)=[NH+]2)cc1	1
OC1CC[NH+](Cc2ccc(F)cc2)CC1	1
COc1ccc([C@@](C#N)(CC[NH+](C)C)C[NH+](C)C)cc1	2
[NH3+]C1[C@H]2CC3C[C@@H]1CC(O)(C3)C2	1
O=C1CCCN1[C@@H]1CCCc2ccccc21	0
C[NH+]1CCC(OC(=O)c2cccc(Br)c2)CC1	1
Cc1ccc(OC[C@@H](O)C[NH3+])cc1	1
NC(=[NH2+])c1cccc(C(F)(F)F)c1	1
CC(C)C(=O)Nc1nc2ccccc2s1	0
CS(=O)(=O)NCc1ccc(C(=O)NCc2ccccc2)cc1	0
Cc1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1	0
S=C(NCc1ccco1)Nc1nccs1	0
CC(=O)N1CC(=O)N/C(=C/c2ccco2)C1=O	0
c1ccc(C[NH+]2CCSCC2)nc1	1
CCOC(=O)C1CC[NH+](C(C)(C)C=O)CC1	1
Cc1ccccc1Cn1c(N)[nH+]c2ccccc21	1
CCc1cc(N)nc(N)[nH+]1	1
NC(=O)C1CC[NH+]([C@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2=O)CC1	1
CC[NH+](CC)CC#CC1(OC(C)=O)CCCCC1	1
CNC(=O)OCc1nc(SC)n(C)c1COC(=O)NC	0
C[NH+]1CCN(c2nc(-c3ccccc3)nc(-n3ccnc3)n2)CC1	1
COc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1	0
CN(C)c1ccc(/C=[NH+]/N2CCN(c3ccccc3)CC2)cc1	1
OC1(/C=C/C[NH+]2CCCCC2)CCCCC1	1
NN=c1nc[nH]c2sccc12	0
Cn1c(Cl)c[n+](C)c1[C@@H](O)c1ccccc1	1
Cn1ccc(C(F)(F)F)n1	0
O=C1CSc2ccc(C(=O)[O-])cc2N1	-1
N#CC(=NNc1ccc(F)cc1)C(=N)N1CCOCC1	0
COc1ccc(OC)c([C@@H](O)CNC(=O)C[NH3+])c1	1
CSC1=[NH+]C(C)(C)C[C@@](C)(c2ccc(O)cc2O)N1	1
C[C@@H]1CCc2c(cnc3scn[n+]23)C1	1
CC[NH+](CC)Cc1ccccn1	1
CN(C)C(=O)Oc1ccc(C[NH+](C)C)cc1Cl	1
C[N+]1=C2C=C(N)C(=O)c3[nH]cc(c32)CC1	1
Cc1nc2sc(C(N)=O)c(N)c2c(C)c1C	0
C[C@@H](Cc1c[nH]c2ccc(Cl)cc12)/[NH+]=C/c1ccc(N(C)C)cc1	1
NNC(=[NH2+])Cc1ccccc1	1
c1cncc([C@@H]2CCC[NH2+]2)c1	1
COc1cccc(OC2=C(Cl)C(=O)N(c3ccc(C)cc3)C2=O)c1	0
CC[C@@H](C)Cn1c(=O)n(C)c(=O)c2nc(C)[nH]c21	0
CC1(C)CC(NC(=O)c2ccn[nH]2)CC(C)(C)[NH2+]1	1
O[C@H]1C[C@@H]2CCCN3CCc4c(n1c1ccccc41)[C@@H]23	0
CC(C)(C)[NH2+]CC(=O)Nc1nccs1	1
NC(=O)c1cccc(/N=C/c2ccc[nH]2)c1	0
N#Cc1ccc2c(c1)N(CCC[NH+]1CCC(O)CC1)c1ccccc1S2	1
N[n+]1cnn(Cc2ccccc2)c1	1
Cc1ccc(NC[C@@H](O)CNC(N)=[NH2+])c(C)c1	1
N#CC1(c2ccccc2)CC[NH2+]CC1	1
Clc1ccc(C2=CC[NH2+]CC2)cc1	1
O=C1CCC(c2cccs2)=NN1	0
N#CCc1cccc(Cl)c1	0
Cc1ccc(-c2ocnc2C(N)=O)cc1	0
C[C@@H]1C[N@@H+](C2CCCCC2)CCC1=O	1
CCNC(=S)N1CC[NH+](CC)CC1	1
Cn1c(N)[n+](CC(=O)c2ccccc2)c2ccccc21	1
CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccoc2)C1	1
C[NH+]1CCN(c2nccs2)CC1	1
O[C@@]1(c2ccccc2)CN2CCCSC2=[N+]1c1ccc(F)cc1	1
N=NC(N)NCc1ccccc1	0
Cc1cnccc1-c1sc(=O)[nH]c1C	0
Cc1ccn2ncc(C(=O)NC3C[C@@H]4CC[C@H](C3)[N@H+]4C)c2c1	1
CS(=O)(=O)c1cccs1	0
C1=C(c2ccccn2)C2CCN1CC2	0
Cc1n[nH]c(C)c1C[NH3+]	1
CC1=C(c2ccccc2)C(=O)NC1	0
Cc1cc2occ(C=O)c(=O)c2cc1Cl	0
Cc1ncc([N+](=O)[O-])n1C	0
O=C(Nc1cccc(C(F)(F)F)c1)c1cnccn1	0
Oc1cccc(/C=N/N2CCOCC2)c1O	0
O=C1CCS/C(=N\N=C\c2ccc(F)cc2)N1	0
Cc1cccc(CC(=O)Nc2c3c(nn2C(C)(C)C)C[S@@](=O)C3)c1	0
Cc1[nH]nc2oc(=O)c(Cl)c(C)c12	0
N=NC(N)N1CCCCC1	0
COc1ccc(-[n+]2c(-c3ccc(Cl)cc3)cn3c2S[C@@H](C)C3)cc1	1
c1ccc2sc(N3CC[NH2+]CC3)nc2c1	1
CC(=O)N1CC[n+]2cc(-c3ccccc3)sc21	1
COc1cc2c(c(OC)c1OC)-c1ccc(N)c(=O)cc1[C@@H]([NH3+])CC2	1
CC(C)CCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C	0
NC(=O)C1(C(=O)[O-])CC1	-1
O=C(c1ccc2nonc2c1)N1CCCCC1	0
CCOC(=O)c1ccc(SC)c(C)c1O	0
C[NH+](C)Cc1ccc(O)c(CCc2ccccc2)n1	1
C1CC[NH+](C[C@@H]2COC3(CCCC3)O2)C1	1
NC(=[NH2+])c1cccc(N)c1	1
COc1ccc(OC)c(CC[NH3+])c1	1
N#Cc1cn(CC(=O)NC2CCCCCC2)c2ccccc12	0
N#CCc1ccccc1N	0
N#Cc1cn(CC(=O)NCc2ccccc2)c2ccccc12	0
O=C1CCCc2[nH]ccc21	0
Cn1c(=O)oc2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)ccc21	0
C[N+](C)(C)c1cnc(=O)[nH]c1	1
Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cn1	0
CC(=O)NN1CC[NH+](C)CC1	1
O=C([O-])C1=NCCSC1	-1
Cc1cc(C)c(O)c(N)c1	0
CCCN1CCC([N@@H+](CCO)Cc2ccccc2)CC1	1
Cn1ncc2c(N3CC[NH+](C)CC3)ncnc21	1
Cc1c(O)c(=O)ccn1C	0
CN(C)C1=CCC(=O)O1	0
COC1CCC(OC)CC1	0
CC(=O)c1ccc[nH]1	0
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccccn1	0
COCc1cc(C)c(C#N)c(=S)[nH]1	0
COC(=O)c1ccc(CN(C)c2cc(OC)c(OC)c(OC)c2)cc1	0
C[C@@H](c1ccccc1)n1c[nH+]c2cc(N)ccc21	1
CC(C)(C)c1cc(-c2c[nH+]c3n2CCCCC3)cc(C(C)(C)C)c1O	1
Cc1cccnc1NC(=O)c1cccc(Cl)c1	0
CN(C)C(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1	0
O=C1CS[C@@H](c2ccccc2F)N1	0
C[N+](C)(C)Cc1c(O)cccc1[N+](=O)[O-]	1
NS(=O)(=O)c1ccc(CNC(=O)COc2ccccc2)cc1	0
CC(C)(O)C1CC[N+](C)(C)CC1	1
O=C1C(Cl)=C(Nc2cc(Cl)ccc2O)C(=O)N1c1ccccc1	0
c1ccc2c(c1)ccn2Nc1cc[nH+]cc1	1
CC(=O)c1nc2ccccc2[nH]1	0
Cc1ccc(C=O)s1	0
CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2cc(C)cc(C)c2[nH]c1=O	0
Cc1cc([C@@H]([NH3+])C(=O)[O-])c(C)s1	0
Nc1ccc(Cl)nc1	0
COc1cc(/C=C/c2cc(C)no2)cc(OC)c1O	0
Nc1noc([C@H]2C[NH+]3CCC2CC3)n1	1
O=C(NCc1ccco1)c1ccccc1C(=O)c1ncc[nH]1	0
CCN(C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)c1ccccc1	0
O=C(Cc1ccccc1)SC1=NCCS1	0
CC(C)(O)c1cn2ccccc2n1	0
COc1ccc(CC(=O)Sc2nc3ccccc3o2)cc1	0
C[NH+]1CCN(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1	1
CC(=O)/C=C/[C@@]1(O)C(C)=CC(=O)CC1(C)C	0
O=C([O-])c1cn(-c2ccccc2)nn1	-1
CCC[C@@]1(c2cccc(O)c2)CC[N@@H+](C)C[C@H]1C	1
NNc1[nH+]nc(Cc2ccncc2)c2ccccc12	1
[NH3+]Cc1cccnc1	1
Clc1ccccc1-c1nc(-c2ccncc2)no1	0
C[NH+](C)CCC(=O)c1ccccc1	1
C1Cc2n[nH]c(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)c2C1	2
c1ccc(Nc2nc(N3CCCCC3)nc(N3CC[NH2+]CC3)n2)cc1	1
O=C(Nc1ccccn1)N1CCOCC1	0
O=C(Nc1cccnc1)c1ccc(Oc2cc(Cl)cc(Cl)c2)o1	0
COc1ccc(C)c(N)c1	0
C[NH+]1CCN(C(=O)N2CCOCC2)CC1	1
O=C1c2ccccc2[C@@](O)(c2ccccc2)N1CCOc1ccccc1	0
C[C@@H]1CN(S(C)(=O)=O)C[C@@H](C)O1	0
C[NH+]1CCN(C(=O)Cn2ccc3ccccc3c2=O)CC1	1
CC(=O)CSc1n(C)c(C)c(C)[n+]1C	1
C[NH+](C)CCNC(=O)c1ccc2c(c1)NC(=O)c1ccccc1S2	1
Cc1ccc(S(=O)(=O)NCCn2cnc([N+](=O)[O-])n2)cc1	0
CCOC(=O)[C@@H](C#N)[C@@]1(Cc2ccccc2)C[C@H](C)[N@@H+](C)C[C@@H]1C	1
C=CCN1C(=S)NC(C)(C)C=C1C	0
O=C1NC2(CCCCC2)Nc2ccccc21	0
Cc1ccccc1N1C(=O)C=CC1=O	0
Cc1cccc2c(CC[NH3+])c[nH]c12	1
c1cc2c(cc1CN1CCC([NH+]3CCCCC3)CC1)OCO2	1
CCNc1nc(OC)cc(OC)n1	0
C[NH+](C)CCC[C@@H]1C(=O)[C@H](c2ccccc2)N(c2ccccc2)C1=O	1
C[C@@H](CS(=O)(=O)c1ccccc1)[NH+]1CCCCC1	1
CC[C@@H](C)OC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC)c(O)c1	0
C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1	1
O=C(Nc1cccnc1)N1CCc2cc3[nH]ccc3cc21	0
C[NH+]1CCN(/N=C/c2nc(-c3ccccc3)n3ccccc23)CC1	1
COc1ccc(Cc2c(Cl)nc(SC)[nH+]c2NN)cc1	1
Clc1ccc(-c2nnc(SCc3ccccc3)o2)c(Cl)c1	0
c1ccc2scnc2c1	0
O=C(NC1CCCCC1)c1ccccc1	0
COc1ccc(NC(=O)NC(N)=O)cc1	0
CC(=O)c1cc(C[NH+](C)C)c2ccccn12	1
O=c1ccc2ccc(O)cc2o1	0
O=S1(=O)c2cccc3cccc(c23)N1CCC[NH+]1CCN(c2ccc(F)cc2)CC1	1
Cc1ccc(Cl)cc1N1CC[NH2+]CC1	1
C[N+]12CCCC[C@@H]1[C@H](OC(=O)C1(c3ccccc3)CCCC1)CCC2	1
O=C(Nc1ccccn1)c1ccco1	0
Cc1sc2[nH]c(=O)[nH]c(=O)c2c1C	0
COc1cc(C[N@H+]2CCC[C@@H](O)C2)cc2c1OCO2	1
O=C(NC(=S)Nc1ccccc1)c1sc2ccccc2c1Cl	0
CCOC(=O)c1sc2ncnc(Nc3cccc(Cl)c3)c2c1C	0
COc1ccc2c(c1)c(-c1ccccc1)nc(=O)n2CC1CC1	0
COC(=O)/C=C/c1ccccc1OC[C@H](O)C[NH2+]C(C)C	1
C=C(C)C1=NC(C)(C)C[C@@H](C)O1	0
O=c1c(C[C@@H]2CCCO2)c(O)n2n1-c1ccccc1-c1ccccc1-2	0
c1ccc(OC2CSC2)cc1	0
COC(=O)[C@@H](C#N)C1CC(C)(C)[NH2+]C(C)(C)C1	1
O=C([O-])C[C@@H](O)c1nc2ccccc2[nH]1	-1
Cc1cc(-n2nn[n-]c2=S)ccc1F	-1
C[N@H+]1[C@H]2CC[C@@H]1CC(NS(=O)(=O)c1ccc(F)cc1)C2	1
COC(=O)c1ccc(C#Cc2ccccc2)o1	0
Cc1ccc(Nc2nc(=NN)nc(Nc3ccc(C)c(C)c3)[nH]2)cc1C	0
COC(=O)C1=C(O)CC[NH2+]C1	1
CCOC(=O)c1c(N)cc2[nH]c(=S)[nH]c(=O)c2c1-c1ccccc1	0
N#Cc1nc[nH]c1C#N	0
O=c1[nH]c(-c2ccco2)cn2ccnc12	0
NC(=O)CSc1ccc(C(F)(F)F)cn1	0
CC1=N/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C(=O)O1	0
CN(C)c1cc[n+](C(=O)N2CCOCC2)cc1	1
COC(=O)c1ccc2[nH]cnc2c1	0
CNc1ccc(C#N)cc1N	0
C[NH+]1CCN(c2nc(N)c(C#N)c(CC#N)c2C#N)CC1	1
O=[N+]([O-])c1ccc(F)c(Cl)c1F	0
CC[C@@H](Sc1nc(C)cc(C)n1)C(=O)Nc1nnc(C)s1	0
OC1CC[NH+](Cc2ccccc2F)CC1	1
Cc1n[nH]c(=O)c2noc(C)c12	0
O=C1NCc2c1cc1ccc3c(c1c2-c1ccc2c(c1)OCO2)OCO3	0
COCc1cc(C)[nH+]c(NN)c1C#N	1
CC(C)C(=O)NC(=S)N1CCOCC1	0
Cc1nc2ccc(F)cc2c(=O)n1N	0
NC(=[NH2+])c1ccc(O)cc1	1
C=CCN(CC=C)C(=O)COc1ccccc1	0
CCCN(CCC)C(=O)N1CCNC1=O	0
O=C1C[C@@H](C(=O)c2ccccc2)CO1	0
CC(=O)Oc1ccccc1C(=O)Nc1ccccc1C	0
C[n+]1ccc(C#N)c2ccccc21	1
O[C@@]1(c2ccc(Cl)cc2)CN2CCCCCC2=[N+]1c1ccccc1	1
Cc1csc2c(=O)n(CC[NH+]3CCSCC3)c(=O)[nH]c12	1
[NH3+]CCc1cccc2c1ccn2S(=O)(=O)c1ccccc1	1
NC(=[NH2+])c1nc2ccccc2[nH]1	1
O=[N+]1CN(O)CC1c1cccs1	1
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ncccn1	0
Nc1ccccc1Cl	0
COC(=O)N=c1[nH]cc(C[NH+]2CCCC2)s1	1
COc1ccc2[nH]c(C)cc2c1	0
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)Cc2ccccc2)C1	0
CCOC(=O)c1c(C2CC2)csc1N	0
CCOc1cc(C[NH+]2CCSCC2)ccc1O	1
NNc1[nH+]cnc2ccsc12	1
O=C(C[C@@H](CO)[NH2+]Cc1ccccc1)NCc1ccccc1	1
O=C(Cc1ccc(Cl)cc1)Nc1ccccn1	0
O=c1c2ncn(CC[NH+]3CCCCC3)c2ncn1CN1CCCCC1	1
N#CC1=C(N)Oc2c(ccc3cccnc23)[C@@H]1c1ccccc1	0
Cc1ccc(-[n+]2noc(=O)[n-]2)cc1	0
CN(C)[PH+](N(C)C)N(C)C	1
C[C@@H]([C@@H](O)c1ccccc1)[N+](C)(C)Cc1ccccc1	1
O=C1NC(=S)NC1=Cc1ccc(OCc2ccc(Cl)cc2)cc1	0
NNc1[nH+]cnc2c1cnn2Cc1ccccc1	1
COc1ccnc(N2CCN(C(=O)c3sccc3F)CC2)n1	0
COc1cc(-c2nc3ccccc3[nH]2)c([N+](=O)[O-])cc1OC	0
C[C@@H]1CCC[N@H+](C2CCNCC2)C1	1
O=C(CCC1CCCC1)N1CC[NH2+]CC1	1
N#Cc1nccnc1N1CCc2ccccc2CC1	0
COC(=O)c1cc(=O)n2c(-c3ccccc3)csc2n1	0
COC(=O)c1cc(N2CC[NH2+]CC2)nc2ccccc12	1
COC(=O)c1ccc(CON=c2c(C)nc3ccccc3nc2C)cc1	0
c1ccc2c(c1)ccn2Cc1ccncc1	0
c1ccc2c(c1)OC[C@@H](CSc1nc3ccccc3[nH]1)O2	0
O=C1C=CC(F)=C/C1=C1/C=CNN1	0
Cc1ccc(C[N+](C)=O)cc1	1
C[C@@H](c1ccccc1)N1C(=O)OC(C)(C)[C@@]1(C)O	0
C1=C([NH+]2CCOCC2)CCC1	1
Cc1nc(NC(=O)C[NH2+]CC2CC2)sc1C	1
COC(=O)c1ccc(NC(=S)NC(=O)N2CCOCC2)cc1	0
Cc1nc2n(c(=O)c1CC[NH+]1CCC(c3noc4cc(F)ccc34)CC1)CCCC2	1
O=C(CN1N=C(c2ccccc2)CCC1=O)NCC[NH+]1CCCC1	1
CN1C(=O)[C@@H](CC[NH3+])c2ccccc21	1
C[NH+](C)C[C@@H](O)[C@H](c1ccccc1)c1cccc(Cl)c1	1
C[NH+]1CCN(C(=O)Nc2ccccc2)CC1	1
CC(=O)O[C@@H]1C[NH+]2CCC1CC2	1
CC[NH+](CC)CCn1c(=N)n(CCO)c2ccccc21	1
O/N=C(/c1ccccn1)C1CCCCC1	0
Clc1ccc(-c2noc(C3CC[NH2+]CC3)n2)cc1	1
CC1=C(C(=O)OC(C)(C)C)[C@H](c2cccc(F)c2)C(C#N)=C(N)O1	0
c1ccc2c(c1)nnn2OC(N1CCCC1)=[N+]1CCCC1	1
Cc1cc(/C=C/c2cccs2)cc(C)c1O	0
Nc1ccccc1N	0
CCc1nnc(NC(=O)[C@@H](CC)Oc2ccccc2)s1	0
O=C(N[C@@H]1C[NH+]2CCC1CC2)c1cccc(Cl)c1	1
C[C@H]1CC(=O)NN=C1c1ccc(N)c(N)c1	0
Cc1cccc(NC(=O)CSc2nnc(C(F)(F)F)n2C)c1C	0
Nc1cc2ccccc2c[nH+]1	1
CCc1ccc(OC(=O)c2ccccc2Br)cc1	0
COc1ccc(Cl)cc1NC(=O)N1CCN(c2ncccn2)CC1	0
Cc1cc(=O)oc2cc(OCC(=O)NC3=NC(=O)CS3)ccc12	0
CCCc1nc(-c2ccccn2)c(-c2ccccc2C)s1	0
CCc1c(C)nc(N)nc1Cl	0
OC[C@H](Cc1ccccc1)Nc1ncnc2c1cnn2-c1ccccc1	0
CC1(C)CC(=NO)CC(C)(C)[NH2+]1	1
C[N+](C)(C)[C@@H]1[C@@H](O)O[C@H]2[C@@H](O)CO[C@H]21	1
Cc1cccc(OCC(=O)Nc2ccc(Br)cn2)c1C	0
O=C1c2ccccc2C(=O)N1c1nncs1	0
Cc1cc(C)c(S(=O)(=O)NCc2ccncc2)c(C)c1	0
CO/N=C1\COC2(CC[NH+](C)CC2)C1	1
Cc1[nH+]ccn1CCCN1C(=O)OC(C)(C)[C@@]1(C)O	1
Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1	0
CC(C)[C@@](C)(O)C#CC[NH+]1CCCCC1	1
Cc1cc(/C=C/c2ccc(OC[C@@H](O)C[NH2+]C(C)C)cc2)on1	1
CC12CNCC(C)(C[NH2+]C1)C2=O	1
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2)[C@H]2C[NH2+]CC=C12	1
C[C@H](C[NH2+]C1CCCCC1)OC(=O)c1ccccc1	1
O=C1NC[C@@]2(C[NH+]3CCC2CC3)O1	1
O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(F)cc1	0
O=C(CN1CC(=O)[O+]=N1)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1	2
CC(=O)Nc1c(C(=O)N2CCCCCC2)cnn1-c1ccccc1	0
COC(=O)c1nc2ccccn2c1F	0
S=c1[nH]nc(Cn2nnc(-c3ccccc3)n2)n1-c1ccccc1	0
C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@H]12	-1
COc1cccc(OC)c1C[NH3+]	1
CC(C)(C)c1ccc(C2=N/C(=C/c3ccco3)C(=O)O2)cc1	0
CC[NH+](CC)CCc1ccncc1	1
c1ccc(C[NH+]2CCN(c3ncnc4ccccc34)CC2)cc1	1
Cc1nc(C2=CCC[NH2+]C2)co1	1
COc1ccc(C(N2CC[NH2+]CC2)N2CC[NH2+]CC2)cc1	2
CC[n+]1ccnc2ccccc21	1
C[n+]1ccc(N)c2ccccc21	1
CCOC(=O)[C@@]1(CC)C[C@@H](CSc2nc3ccccc3[nH]2)OC1=O	0
CN(C)c1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1	0
O=C1CCSc2ccc3ccccc3c21	0
O=C1NNC(=S)Nc2ccccc21	0
O=C(NCC[NH+]1CCCC1)[C@@H]1CC(=O)N(C2CCCCC2)C1	1
COc1ccccc1N1C(=O)C(Cl)=C(Nc2ccccc2O)C1=O	0
NC(=O)CC[NH2+]C12CC3CC(CC(C3)C1)C2	1
CC1(C)CC(=O)C=C(Nc2ccc(S(N)(=O)=O)cc2)C1	0
C=C(C)n1nc[n+](C(C)(C)C)n1	1
O=C(N1CCOCC1)[n+]1ccc(/C=C/c2ccc(Cl)cc2)cc1	1
CC(=O)Oc1cc(C(C)C)c(OCC[NH+](C)C)cc1C	1
C=CC[N+]1(C)C[C@H](C)C(=O)C[C@H]1C	1
O=C1CCC[C@@H](c2cccnc2)N1	0
C[NH+](C)CCNc1ncnc2c1cnn2-c1ccccc1	1
CC[NH+]1CCC2(CC1)C[C@@H]1C[C@H]3C=C[C@]1(CN2C(C)=O)O3	1
COc1cc(C(=O)OCC[NH+](C)C)cc(OC)c1OC	1
COc1ccc(C(=S)NN)cc1	0
Nc1ccc(Cl)nc1Cl	0
Cc1cc(C)[nH+]c(NN)n1	1
Cc1ccccc1C(=O)O/N=C(\c1ccccc1)c1ccccn1	0
COc1ccccc1C(=O)c1cc2c(cc1Br)OCCO2	0
COc1ccc(-c2nnc3ccc(C(F)(F)F)cn23)c(OC)c1	0
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)C1	0
CC(C)(CO)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1	0
O=[N+]([O-])c1ccc([C@@H](O)CN2CC[NH+](Cc3ccccc3)CC2)cc1	1
Nc1nnnn1CC(=O)OCc1cccc(Br)c1	0
CS(=O)(=O)Nc1cc2c(cc1Sc1cccs1)C(=O)CC2	0
Cn1c([N+](=O)[O-])cnc1CSc1ccccn1	0
CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1cccc(CO)n1	0
O=C1NCCNC2=C1CN(Cc1ccccc1)C2=O	0
COc1ccc(NCC(C#N)C(=O)NCc2ccc(Cl)cc2)cc1	0
COC(=O)Nc1ccc(F)cc1	0
N#Cc1cccnc1Cl	0
CSC1=N/C(=C/c2ccco2)C(=O)N1	0
CCCc1cc(=O)oc2n[nH]c(C)c12	0
CCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1	1
CC(C)(C)[C@H](C[NH+]1CCCC1)OC(=O)c1ccccc1	1
COCc1cc(C)nc2sc3c(nnn4c5ccccc5nc34)c12	0
CN1CCN(c2nc(C(C)(C)C)cs2)CC1	0
C[NH+](C)CCn1nc(Cc2ccccc2)c2ccccc2c1=O	1
c1ccc(CN[n+]2cnn(Cc3ccccc3)c2)cc1	1
Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C)C2)c(C)c1	1
CC(=O)Nc1ccc2c(C)ccnc2c1	0
COc1ccc(Nc2nc(N)nc(C[N@@H+](C)C3CCCCC3)n2)cc1	1
C=C(C)C[N@H+](CC)Cc1ccc([N+](=O)[O-])s1	1
Cc1nc2c(cc1-c1ccncc1)CC(=O)N2	0
CC[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1	1
COc1ccc([C@@H]2CC(c3cccs3)=NN2C(N)=S)cc1OC	0
COc1cc2[nH+]c(N)nc(N)c2cc1OC	1
O=c1c2ccccc2ncn1CC[n+]1ccccc1	1
Cc1nn(-c2ccccc2)c2c1ccc[n+]2C	1
[NH3+][C@@H](CC(=O)c1ccccc1)C(=O)[O-]	0
CC[C@H](C)N1C(=O)N[C@H]2NC(=O)N[C@H]21	0
Cc1cc(Br)ccc1O	0
C[C@@H]([NH3+])Cc1[nH]nc2ccc(O)cc12	1
CCOC(=O)C(=C1CC(=O)N(c2ccccc2)C1=O)C(C)[NH3+]	1
O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](C[C@@H]2CO2)C1	1
CN(C)c1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1	0
Cc1cc(C(=O)NCC[NH+]2CCCCC2)no1	1
O=C([O-])/C=C/C(=O)N1CCOCC1	-1
Cn1c(=O)[nH]c(=O)c2c1ncn2CC[NH+]1CCCCC1	1
NNc1[nH+]nc(Cl)c2c1CCCC2	1
c1ccc2c(c1)CCO[C@@H]2C[NH2+]C[C@@H]1COc2ccccc2O1	1
COC(=O)c1ccc(NN)cc1	0
Cc1[nH+]c2ccccc2c(N)c1CO	1
Cc1[nH+]c2ccccc2c(N)c1[C@@H](C)O	1
COc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1Cl	0
CC[C@@H](CO)[NH2+]C[C@@H](O)Cn1c(C)c(C)c2ccccc21	1
CC[C@@H](C)NS(=O)(=O)c1ccc(NC(C)=O)cc1	0
c1ccc(CC2=[NH+]CCN2)cc1	1
COc1ccc(/N=C/c2ccc(O)c(OC)c2)cc1	0
O=C1C[C@@H]([NH2+]Cc2ccccn2)C(=O)N1c1ccc(F)cc1	1
C[N+](C)(C)C/C=C1/COCO1	1
CC(=O)NCc1ccccc1	0
[NH3+]Cc1csc(-c2cccs2)n1	1
OC1(Cc2ccccc2)CC[NH2+]CC1	1
Nc1c2c([nH+]c3cc(F)ccc13)CCCC2	1
NC(=S)Nc1nsc(-c2ccccc2)n1	0
CC1(C)CC(NC(=O)c2cc3ccccc3oc2=O)CC(C)(C)[NH2+]1	1
CC1=[NH+]CCc2c1[nH]c1cc(O)ccc21	1
Cc1ccc2c(c1)c1c(n2C[C@@H](O)Cn2cc[nH+]c2C)C(=O)CCC1	1
CN1CCC([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1	1
COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CCCO3)c2c1	0
CCCC(=O)NOCc1cccc2ccc(OC)cc12	0
C[N+]1(CCC[N+]2(C)Cc3ccccc3C2)CCOCC1	2
Cc1ccc(-c2csc3ncnc(N4CC[NH+](C)CC4)c23)cc1	1
CC(C)[NH2+]C[C@@H](O)c1ccccc1Cl	1
CC1CCC([N@H+]2CCC[C@@H]2CO)CC1	1
Cc1c(C(C)C)c(N2CCOCC2)n2c(nc3ccccc32)c1C#N	0
CC1CC[NH+](CC(=O)Nc2sc3c(c2C(N)=O)CCC3)CC1	1
O=C(CSC1=[NH+]CCN1)Nc1cccc(C(F)(F)F)c1	1
[NH3+]CCc1n[nH]c(CO)n1	1
Cn1cc(OC[C@H](O)C[NH2+]C(C)(C)C)c2ccccc2c1=O	1
Nc1nc(C2CC2)cs1	0
CC1(C)C(C(=O)NCC(N)=O)C1(C)C	0
O=C1C[NH+]2CCC1CC2	1
COc1ccccc1OCC(=O)N1CCNC1=O	0
CNC(=S)N1CCCCC1	0
Cc1cccc(C[NH+]2CCC(O)CC2)c1	1
O=C1NCCN1C(=O)C(c1ccccc1)c1ccccc1	0
COc1ccccc1/C=N/N1C(=O)c2cccc3cccc(c23)C1=O	0
CC1(C)CC(=O)[C@@H]([C@@H](O)c2ccccc2)C(C)(C)[NH2+]1	1
[NH3+][C@@H](Cc1cc(Br)c([O-])c(Br)c1)C(=O)[O-]	-1
C[C@@]1(c2ccccc2)O[C@@H]1C#N	0
CC1(C(=O)Nc2ccc(F)cc2)CC1	0
C[C@@H]([NH3+])C(=O)c1ccco1	1
COc1cc(OC)cc([N+]2(C)CCOCC2)c1	1
COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cccc(F)c1	0
C[C@H]1C/C(=N/OC(=O)c2ccc(Br)cc2)[C@H](C)C[N@H+]1C	1
Cc1cc2ncn(S(=O)(=O)c3ccccc3[N+](=O)[O-])c2cc1C	0
COc1cc(NC(=S)NCc2ccc3c(c2)OCO3)cc(OC)c1	0
Cc1nc2ccccc2n1S(C)(=O)=O	0
O=C([O-])c1cc[n+]([O-])cc1	-1
CCOc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1	0
CC(C)CCNC(=O)c1ccccc1Cl	0
CC1(C)NC(=S)N(c2ccccc2)N1	0
CCOC(=O)c1ccc(NC(=S)NCC[NH+]2CCC(C)CC2)cc1	1
O=C(C[NH+]1CCCCC1)N[C@@H]1CCc2cc3c(cc21)CCC3	1
O=C1OCc2c1[nH]c(=O)[nH]c2=O	0
CC(=O)N1CC[NH+](CCOc2ccc(CC[NH3+])cc2)CC1	2
O=C(c1ccccc1)N1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1	1
Cc1cc(Nc2ccc(F)cc2F)nc(N)[nH+]1	1
Cc1cc(Nc2ccc(F)c(Cl)c2)nc(N)[nH+]1	1
NC(=O)c1c(N)cccc1F	0
Cc1[nH]c(C)c2c(=O)n(C)ncc12	0
COc1ccc(OCc2nc(C#N)c(N[C@@H](C)c3ccccc3)o2)cc1	0
COc1ccc(S(=O)(=O)n2ccnc2C)cc1	0
Cc1ccc([C@@H](O)c2nccn2C)o1	0
Cc1nc(NC(=O)c2ccccc2Br)sc1C	0
CCc1ccc(C(C)=O)s1	0
COc1cscc1C(N)=O	0
CN(C)C(=O)Cn1c(-c2ccc(C(F)(F)F)cc2)nc2cccnc21	0
CNC(=O)Cn1c(-c2ccc(Cl)cc2)nc2cccnc21	0
COc1ccc(CC(=O)NN2CCN(c3ccccc3)CC2)cc1	0
NC(=O)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1	1
CCOC(=O)C1=C(OC)C(=O)N(C2CCCCC2)C1	0
Cc1cc(NCc2ccco2)ncn1	0
Cc1ccc(OC[C@@H](O)C[NH+]2CCC(C(N)=O)CC2)c([N+](=O)[O-])c1	1
CC1CCC([NH+]2CCN(C(=O)c3cccc(F)c3)CC2)CC1	1
Cc1nc(-c2cccc([N+](=O)[O-])c2)no1	0
Fc1cccc(CN2CCNC2=S)c1	0
CCC1=C[C@@](O)(C(F)(F)F)N(C(=O)c2cccc(C)c2)N1	0
COc1cc(C(=O)NN2CC[NH+](C)CC2)cc(OC)c1OC	1
COC(=O)c1ccc(NC(=O)c2ccc(N)cc2)cc1	0
Cn1c(-[n+]2ccccc2)c(C=O)n(-c2ccccc2)c1=O	1
O=C(OC1CC[NH+](CCO)CC1)C(c1ccccc1)c1ccccc1	1
N#Cc1ccc(C=O)cc1	0
CN(C)c1ccc(C(=S)N2CC[NH2+]CC2)cc1	1
C[n+]1ccccc1COc1ccc(/C=N/O)cc1	1
CN1C(=O)CC[C@@]1(O)c1ccccc1	0
c1cc(C2=[NH+]CCN2)co1	1
CCC(=O)c1c(N2CCOCC2)[nH+]c(C)c2c1CCC2	1
C[NH+](C)Cc1nc(-c2c(Cl)cccc2Cl)no1	1
Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1	0
CCOC(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C)C1	1
Cc1ccnc(N2CC[NH+](CCc3c(C)n4c5c(cccc35)CCC4)CC2)c1	1
C[NH+](C)Cc1cc(CCNC(=O)c2ccc(Cl)cc2)ccc1O	1
CC1CC[NH+](CCC(=O)Nc2nccs2)CC1	1
Cc1ncc2c(c1O)CN(c1ccccc1)C2	0
Cc1ccc(C)c(N(CC(=O)NCc2ccncc2)S(C)(=O)=O)c1	0
[NH3+][C@@H](CO)C1CCCCC1	1
COc1c(Sc2ccc([N+](=O)[O-])cc2)c(C)nn1-c1ccccc1	0
CC[C@@H](C(=O)O[C@@H]1C[NH+]2CCC1CC2)c1ccccc1	1
Nc1noc(Cc2ccc3[nH]cc(CC[NH3+])c3c2)n1	1
[NH3+]Cc1ccncc1	1
O[C@@](c1ccccc1)(c1cccs1)[C@@H]1C[NH+]2CCC1CC2	1
C/C(=C/CC[NH+]1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1	1
[NH2+]=C(NC(=S)Nc1ccccc1)N1CCOCC1	1
C[NH+]1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1	1
CCOC(=O)c1ccccc1NC(=O)c1cncc(Br)c1	0
C[S@@](=O)c1ccccc1Cl	0
CCOC(=O)Cn1nnnc1-c1ccco1	0
CCNC(=O)n1cc(Cl)cn1	0
[NH3+]Cc1cc(F)cc(F)c1	1
COC(=O)[C@@H](C(=O)NC[C@@H]1CCCO1)C1CCCC1	0
O=C1NCCC[C@H]1[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1	1
CSc1[nH]c(=O)nnc1C	0
COc1ccc(Cl)cc1NN	0
COc1cc(CNc2[nH+]c3ccccc3n2C)cc(OC)c1OC	1
NC(=O)C1c2ccccc2C=Cc2ccccc21	0
c1ccc(C2CC2)c(OCC2=[NH+]CCN2)c1	1
Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2	1
Cc1cc(N)n2nc(C)cc2n1	0
CC(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1	0
CC[C@@H](C#CC[NH+]1CCCCC1)OC(C)=O	1
CCC(=O)NCCc1cccc2ccccc12	0
CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1	0
O=C(NCC1CC[NH2+]CC1)Nc1nc2ccccc2s1	1
CC1(C)CC([NH3+])CC(C)(C)N1O	1
Cc1cc2occ(C#N)c(=O)c2cc1Cl	0
C[C@@H](O)C(Cl)(Cl)Cl	0
O=S1c2ccccc2Oc2ccccc21	0
CC(C)[NH2+]C[C@@H](O)c1ccc(O)c2ncccc12	1
O=C(Nc1ccc(Cl)cn1)c1cccs1	0
COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccs1	0
O[C@@]1(c2ccccc2)CN(Cc2ccccc2)c2cccc[n+]21	1
CC(=O)n1[nH]c(=O)n(-c2ccccc2)c1=O	0
CC[N+](C)(C)c1cccc(O)c1	1
CCn1cc(C(N)=O)c(=O)c2ccc(-c3ccncc3)cc21	0
CCn1cc2[nH]c(N3CC[NH2+]CC3)ncc-2c1=O	1
CC[N+](C)(C)Cc1cccc(OC)c1	1
CCOc1c(N2CCOCC2)cnn(C)c1=O	0
C[NH2+][C@@]1(C)[C@H](C(C)C)CC[C@]1(C)O	1
COc1ccc(C[NH2+]C[C@@H](O)CSc2ccc(OC)cc2)cc1	1
Cc1cc[n+](CCON2C(=O)c3ccccc3C2=O)cc1	1
Cn1c(N)c(C(=O)C[NH2+]C2CCCCC2)c(=O)n(C)c1=O	1
Cn1ccnc1[C@@H](O)c1cccs1	0
COc1ccc(NC2=CC(=O)C[C@@H](c3ccc(C)cc3)C2)c(OC)c1	0
CC12CCCC(C(N)=O)(CCC1)C2	0
CC[C@@H](c1cccc(O)c1)[C@@H](C)C[NH+](C)C	1
Nc1[nH+]c2ccccc2n1CCOc1ccc([N+](=O)[O-])cc1	1
COCc1cc(C)nc(N2CC[NH+](Cc3ccccc3)CC2)c1C#N	1
CC(C)n1c(=O)[n+](C)c(-c2ccccc2)c2cc3c(cc21)OCO3	1
C[C@@H]1C[NH+]=C(NCc2ccccn2)S1	1
CC1(C)COC(C2CC[NH2+]CC2)OC1	1
[NH3+]Cc1cc(Cl)cc(Cl)c1	1
CCN1CCC[C@@H]1CNS(=O)(=O)c1cc(Cl)c(N)cc1OC	0
Cc1ccccc1OC[C@@H](O)C[NH+]1C(C)(C)CCC1(C)C	1
C[n+]1cccc(N)c1	1
C[n+]1c(SCC(=O)[O-])sc2ccccc21	0
CC(C)Sc1nnc(N)s1	0
COC(=O)c1c[n+](C)ccc1SC	1
CCOC(=O)c1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1	1
Cc1ccc(O)c([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)c1	0
CC(C)(O)[C@@]1(O)C[C@@H](c2ccccc2)NO1	0
CC[NH+](CC)CCSc1nnc2c3ccccc3n(C)c2n1	1
O=C(Cn1cncc1-c1ccc([N+](=O)[O-])cc1)Nc1ccccc1F	0
Clc1ccc(OCc2ccccc2Cl)c(CNc2nc[nH]n2)c1	0
NC(=O)c1ccc(OC2CSC2)cc1	0
COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1OC	0
Cc1cc2c(c(C)c1O)CCC(C)(C)[N+](=O)C2	1
C[C@H]([NH3+])Cn1ccc2ccc3cnccc3c21	1
CC1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1	1
[NH3+]CC(=O)N1CCC(O)CC1	1
O=C(CC[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(F)cc1	1
O=C1N(Cc2ccc(F)cc2Cl)c2ccccc2C12OCCCO2	0
N=c1ccccn1Cc1ccccn1	0
Nc1ccc(OC[C@@H](O)C[n+]2ccccc2)cc1	1
C=CCN1CCC(=O)Nc2ccccc21	0
COC[C@@H](C)NS(=O)(=O)c1ccccc1	0
Cc1cc(NC(=O)c2cccs2)no1	0
CC(=O)[C@H]1C[N@@H+](C)CC[C@@]1(C)O	1
C[NH+]1CCN(c2c3c(c(C#N)c4nc5ccccc5n24)CCC3)CC1	1