CC1=CC2=C(NC(=O)[C@H](CC3CC3)C2)C(=O)N1CC(=O)NCC1=CC=C(N)N=C1C	0
ClC1=CC=CC(CC2=NC3=C(NCCC4CCCC[NH2+]4)N=CC=C3O2)=C1	1
NC(=[NH2+])C1=CC=C(CNC(=O)[C@@H]2CCN2C(=O)[C@@H](NCC(=O)[O-])C2CCCCC2)C=C1	0
NC(=[NH2+])C1=CC=C(CNC(=O)[C@@H]2CCN2C(=O)[C@@H]([NH2+]CC(=O)[O-])C2CCCCC2)C=C1	1
CCOC(=O)C1(C2=CC=C3C(C)=CC(OC4=CC=C(C(N)=[NH2+])C=C4)=NC3=C2)CCCC1	1
CC1=CC=C(N2C(=O)N(C3=CC=C(C)C=C3)C2=O)C=C1	0
CCN(C1=NC2=CC=CC=C2C(=O)O1)S(=O)(=O)C1=CC=C(Cl)C=C1	0
CN(C)C(=O)C1=CC=CC(OC2=CC(C(=O)[O-])=CC(OC3=CC(C(N)=[NH2+])=CC=C3[O-])=N2)=C1	-1
CC1=C(F)C(OC2=CC=CC(C(N)=[NH2+])=C2)=CC(OC2=CC=CC(C(N)=[NH2+])=C2)=C1F	2
CCOC(=O)C1(C2=CC=C3C(=C2)N=C(CC2=CC=C(C(N)=[NH2+])C=C2)C(=O)N3C)CC1	1
CC1=C(F)C(N(C)C2=CC=CC(C(N)=[NH2+])=C2)=NC(OC2=CC=CC(C(N)=[NH2+])=C2)=C1F	2
NC(=[NH2+])C1=CC=C(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)CC2CCCCC2)C=C1	1
NC(=[NH2+])C1=CC=C(/C=C2\CCCCC/C(=C/C3=CC=C(C(N)=[NH2+])C=C3)C2=O)C=C1	2
CCC1=NC2=CC=C(OC3CCN(C(C)=[NH2+])CC3)C=C2N1C/C=C/C1=CC=CC(N)=C1	1
CC(C)=CC(=O)C[C@H]1C(=O)O[C@H]2C[C@]3(C)C4=CCC5[C@](C)(CC[C@@H](OC(C)=O)[C@@]5(C)C(=O)[O-])C4CC[C@@]3(C)[C@H]12	-1
NC(=[NH2+])C1=CC=CC(CNC2=CC=C3C=CN(C4=CC=CC(C(N)=[NH2+])=C4)C3=C2)=C1	2
NC(=[NH2+])NC1=CC=C(C(=O)OC2=CC=C3C=C(C(N)=[NH2+])C=CC3=C2)C=C1	2
NC(=[NH2+])NCCCC(NC(=O)C1CCCC1)C(=O)C1=NC2=CC=CC=C2S1	1
NC(=[NH2+])C1=CC=CC(OCC(=O)NC2=CC=C(C(=O)N3CC=CC3)C=C2)=C1	1
NC(=[NH2+])C1=CC=C2NC(C3=CC=CC(Br)=C3[O-])=CC2=C1	0
NC(=[NH2+])C1=CC=C2NC(C3=CC=CC(Br)=C3O)=CC2=C1	1
COC(=O)CC1(C(=O)NC2=CC=CC(C(N)=[NH2+])=C2)CC(C2=CC=CC(C(N)=[NH2+])=C2)=NO1	2
CC(=O)N1C[C@H](O)C[C@H]1C(=O)NC(CCCNC(N)=[NH2+])C(=O)C1=NC=CS1	1
NC(=[NH2+])NCC1=CC=C(C2CC/C(=C/I)OC2=O)C=C1	1
NC(=[NH2+])N1CCC[C@H](NC(=O)CN2CCCC[C@@]([NH3+])(CC3=CC=CC=C3)C2=O)C1O	2
CC(=[NH2+])N1CCC(CC1)OC1=CC=C(NC\C(C)=C\C2=CC=CC(=C2)C(N)=[NH2+])C=C1N(=O)=O	2
NC(=[NH2+])N1CCCCC1	1
NC(=[NH2+])C1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)C3=CC=CC=C3)C2=O)C1O	1
C[NH2+][C@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C=O	2
CC(=[NH2+])N1CCC(CC1)OC1=CC=C2N(CC3=CC=C4C=CC(=CC4=C3)C(N)=[NH2+])C(C)=NC2=C1N(=O)=O	2
CCOC(=O)C(C)(C)C1=CC=C2C(=C1)N=C(CC1=CC=C(C(N)=[NH2+])C=C1)C(=O)N2C	1
CC1(C)C2CCC1(CS(=O)(=O)N=C(N)N)C(=O)C2	0
NC(=[NH2+])C1=CC=C2C=CC=C(N)C2=C1	1
COC1=CC=CC(C2=CSC(C3=C(SC)SC(C(N)=[NH2+])=C3)=N2)=C1	1
NC(=[NH2+])C1=CC=C(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)[NH2+]CC([O-])=O)C=N1	1
NC(=[NH2+])C1=CC=C(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC([O-])=O)C=N1	0
CC1CCCC(C)[NH+]1CCCCN1C(=O)C(OC2=CC=CC=C12)C1=CC=CC(=C1)C(N)=[NH2+]	2
CCOC(=O)C1=CC2=CC=C(OC3CCN(C(C)=[NH2+])CC3)C=C2N1CC1=CC=C2C=CC(C(N)=[NH2+])=CC2=C1	2
NC(=[NH2+])C1=COC(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)[NH2+]CC([O-])=O)=C1	1
CSC1=C(C2=NC(C3=CC=C4OCOC4=C3)=CS2)C=C(C(N)=[NH2+])S1	1
COC(=O)CC(CCC1=CC=C(NC(N)=[NH2+])C=C1)C1=CC=CC(C(N)=[NH2+])=C1	2
CC1=CN(C2=CC=CC(OC3=CC(C(=O)[O-])=CC(OC4=CC(C(N)=[NH2+])=CC=C4[O-])=N3)=C2)C=N1	-1
C[NH2+][C@H](CC1=CC=CC=C1)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCC(C(N)=[NH2+])C1O	2
NC(=[NH2+])C1=CC=C(/C=C2\CC/C(=C\C3=CC=C(C(N)=[NH2+])C=C3)C2=O)C=C1	2
CC1=CC2=C(NC(=O)[C@H](CC3CC3)C2)C(=O)N1CC(=O)NCC1=CC=C(N)[NH+]=C1C	1
O=C1O[C@H]2CCC[C@@H]2[C@@H]1SC1=CC=CC=C1	0
CC1CCC(C)[NH+]1CCCCCN1C(=O)C(C2=CC=CC(C(N)=[NH2+])=C2)OC2=CC=CC=C21	2
O=C1N(CC2=CC=CC=C2)C(=O)N1CC1=CC=CC=C1	0
CC(C)CCN(CC1=CC=C2C=CC(=CC2=C1)C(N)=[NH2+])C(=O)C1=CC=C2C=CC=CC2=C1	1
CCC1C[NH2+]CC2=CC=C(NC(=O)C3=CC=C4C=C(C(N)=[NH2+])C=CC4=C3)C=C21	2
NC(=[NH2+])C1=CC=C2NC(CC3=NC4=CC=C(C(N)=[NH2+])C=C4N3)=NC2=C1	2
NC(=[NH2+])C1=CC=C2NC(CC3=NC4=CC(C(N)=[NH2+])=CC=C4N3)=NC2=C1	2
NC(=[NH2+])C1=CC=C2C=C(OC(=O)C3=CC=C(NC4=NCCN4)C=C3)C=CC2=C1	1
COC1=CC=C2C=CC(C(N)=[NH2+])=CC2=C1C1CCOC1	1
NC(=[NH2+])C1=CC=CC(OC2=NC=CC(OC3=CC=CC(C(N)=[NH2+])=N3)=N2)=C1	2
O=C1O[C@H]2CCC[C@@H]2[C@@H]1CC1=CC=CC=C1	0
C/C(=C1\CC(=O)N(C2=CC=C(C(C)(C)C)C=C2)C1=O)C1=CC=CC(C(N)=[NH2+])=C1	1
NC(=[NH2+])C1=CC=C2N=C(CC3=NC4=CC=C(C(N)=[NH2+])C=C4N3)NC2=C1	2
NC(=[NH2+])C1=CC=CC(OC2=CN=CC(OC3=CC=CC(C(N)=[NH2+])=N3)=N2)=C1	2
CC(=[NH2+])N1CCC(CC1)OC1=CC=C(NCC2=CC=C3C=CC(=CC3=C2)C(N)=[NH2+])C=C1N(=O)=O	2
NC(=[NH2+])C1=CC=C(N2CCCCN(C3=CC=CC(C(N)=[NH2+])=C3)C2=O)C=C1	2
COC1=CC(=CC=C1OCC1=CC=CC=C1)C(NC1=CC=C(C=C1)C(N)=[NH2+])C([O-])=O	0
CC(C)(CNC(=O)C1=CC=CC=C1)C(=O)OC(=O)C(C)(C)CNC(=O)C1=CC=CC=C1	0