O=C1NN(C2=CC=C(I)C=C2)C(=O)/C1=C\C1=CC=CC=C1	0
O=C1[N-]N(C2=CC=C(I)C=C2)C(=O)/C1=C\C1=CC=CC=C1	-1
COC1=C(OC)C=C2C(=C1)N=CC=C2OC1=CC=C2C(=C1)C=CC=C2C(=O)NC1CC1	0
NC1=C2C(C3=CC=CC=C3)=CN(C3=CC=CC=C3)C2=NC=[NH+]1	1
NC1=C2C(C3=CC=CC=C3)=CN(C3=CC=CC=C3)C2=NC=N1	0
COC1=CC2=C(C=C1OC)C1=C(C2)C(NC2=CC=CC(F)=C2)=NN1	0
NC1=C2C(C3=CC=CC(O)=C3)=CN(C3CCCC3)C2=NC=N1	0
NC1=C2C(C3=CC=CC(O)=C3)=CN(C3CCCC3)C2=NC=[NH+]1	1
NC1=C2C(C3=CC=CC(O)=C3)=CN(C3CCC3)C2=NC=[NH+]1	1
NC1=C2C(C3=CC=CC(O)=C3)=CN(C3CCC3)C2=NC=N1	0
CC1=C(SC(N)=N1)C1=CC=NC(NC2=CC=CC(=C2)N(=O)=O)=N1	0
NC1=NC(N)=C2C(NC3=CC=CC(Cl)=C3)=NNC2=N1	0
COC1=C(OC)C=C2C(=C1)N=CN=C2NC1=CC=CC(Br)=C1	0
CC(C)(C)N1CN(C2=CC=C(Cl)C=C2)C(N)=C2C=NN=C21	0
NC1=CC=CC(NC2=NC=CC(C3=CC=NC=C3)=N2)=C1	0
NC1=C2C(C3=CN=C4NC=CC4=C3)=NN(C3CCCC3)C2=NC=N1	0
C1=NNC=C1C1=CN=C2N=CC(C3=CNN=C3)=CN12	0
CN1C(=O)/C(=C/C2=CC=C(/C=C/C(=O)NCC[NH+](C)C)S2)OC2=CC=CC=C21	1
NC1=NC(NC2=CC=C(S(N)(=O)=O)C=C2)=NN1C(=O)C1=C(F)C=CC=C1F	0
CC1=CC(NC2=NC=C(C(=O)NC3=C(C)C=CC=C3Cl)S2)=NC(C)=N1	0
CC1=CC=C(C(=O)NC2=CC=CC(C(F)(F)F)=C2)C=C1C#CC1=CN=C2C=CC=NN12	0
CC(C)(C)N1N=C(C2=CC=C(Cl)C=C2)C2=C(N)N=CN=C21	0
O=C(NC1=NC=C(C2=CC=C(Cl)C=C2)S1)C1=CC=CS1	0
NC1=NC=NC2=NNC(C3=CC=C(Cl)C=C3)=C21	0
NC1=C2C(C3=CC=C(Cl)C=C3)=N[N-]C2=NC=[NH+]1	0
N#CC1=C(N[C@@H]2C[C@H]2C2=CC=CC=C2)C2=CC(C3=CC=C(C[NH3+])C=C3)=CC=C2N=C1	1
O=C(NC1=NN=C(SCC2=CC=C(F)C=C2)S1)C1=CC=C(F)C=C1	0
FC1=CC=C(C(Cl)CN2N=CC3=C(NCC4=CC=CC=C4F)N=CN=C32)C=C1	0
CCCCNC1=C2C=NN(CC(Cl)C3=CC=C(F)C=C3)C2=NC(SC)=N1	0
O=C(NC1=CNN=C1C1=NC2=CC(CN3CCOCC3)=CC=C2N1)NC1CC1	0
O=C(NC1=CNN=C1C1=NC2=CC=C(CN3CCOCC3)C=C2N1)NC1CC1	0
N#CC1=C(C2=CSC=C2)C(C#N)=C(SCC(=O)C2=CC=CC=C2)N=C1N	0
COC1=CC=C2C(=C1)CC1=C2N=C(NC(=O)C2=CC=CS2)S1	0
O=C(NC1=CC=CC(NC2=NC=CC(C3=CC=CN=C3)=N2)=C1)C1=CC=CN=C1	0
O=C(NC1=CC=CC(NC2=NC=CC(C3=CC=CN=C3)=N2)=C1)C1=CC=NC=C1	0
CC1=CC=C(NC(=O)C2=CC=CC(=C2)C(F)(F)F)C=C1C(=O)NC1=CN=CN=C1	0
C[NH+]1CCN(C2=CC=C3NC(C4=C(N)C5=C(F)C=CC=C5NC4=O)=NC3=C2)CC1	1
C[NH+]1CCN(C2=CC=C3N=C(C4=C(N)C5=C(F)C=CC=C5NC4=O)NC3=C2)CC1	1
CN1CCN(C2=CC=C3NC(C4=C(N)C5=C(F)C=CC=C5NC4=O)=NC3=C2)CC1	0
OC1=CC=CC(=C1)C1=NNC2=NC=NC(NC3=CC=CC(Cl)=C3)=C12	0
CN(C)C1=NC(N2CCOCC2)=C2C=NN(CC(Cl)C3=CC=CC=C3)C2=N1	0
NC1=C2C(NC3=CC=CC(Cl)=C3)=NNC2=NC=N1	0
NC1=NC=NC2=NNC(NC3=CC=CC(Cl)=C3)=C21	0
OC1=CC=CC(=C1)C1=C2C(=NN1)N=CN=C2NC1=CC=CC(Cl)=C1	0
COC1=CC=C(CC2=CN=C(NC(=O)C3=CC=CS3)S2)C=C1	0
OC1=CC=C(NC2=NNC3=NC=NC(NC4=CC=CC(Cl)=C4)=C23)C=C1	0
OC1=CC=C(NC2=C3C(=NN2)N=CN=C3NC2=CC=CC(Cl)=C2)C=C1	0
O=C([O-])C1=C(NC2=CC=C(I)C=C2F)C(F)=C(F)C(/C=N/NC(=O)C2=CC=C(CO)O2)=C1	-1
CC1=CC=C(C(=O)NC2=CC(C(F)(F)F)=CC=N2)C=C1/C=C/N1C=NC2=CN=CN=C21	0
COC1=C(OC)C=C2C(=C1)N=CC=C2OC1=CC=C2C(=C1)C=CC=C2C(N)=O	0
CP(C)(=O)C1=CC=C(NC2=C3N=CN(/C=C/C4=C5C=CNC5=CC=C4)C3=NC=N2)C=C1	0
FC(F)C(F)(F)OC1=CC=CC(NC2=NC=CC(C3=CNC4=CC=CC=C34)=N2)=C1	0
CC[NH+](CC)CCNC(=O)C1=C(C)NC(/C=C2\C(=O)NC3=CC=C(F)C=C32)=C1C	1
O=C([O-])C1=CC=C(NC2=NC=C3CN=C(C4=C(F)C=CC=C4F)C4=CC(Cl)=CC=C4C3=N2)C=C1	-1
O=C(NC1=NN=C(COC2=CC=CC=C2)S1)C1=CC=CS1	0
NC1=C2C(C3=CC=C(Cl)C=C3)=NNC2=NC=N1	0
O=C(NC1=NN=C(CC2=CC=CC=C2)S1)C1=CC=CS1	0
C1=CC=C2C(=C1)NN=C2C1=NC2=CC(N3CCC([NH+]4CCCCC4)CC3)=CC=C2N1	1
C1=CC=C2C(=C1)NN=C2C1=NC2=CC=C(N3CCC([NH+]4CCCCC4)CC3)C=C2N1	1
CC1=CC(NC2=NC(C=CC3=CC=CC=C3)=NC(N3CC[NH+](C)CC3)=C2)=NN1	1
CC1=CC(NC2=NC(C=CC3=CC=CC=C3)=NC(N3CCN(C)CC3)=C2)=NN1	0
[NH3+]CC1=CC=C(C=C1)C1=CN2C(C=N1)=NC=C2C1=CNN=C1	1
CCCCCC(=O)NC1=CC=CC(NC2=NC=CC(=N2)C2=CC=CN=C2)=C1	0