pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.56	Datawarrior	1	0	NNC(=O)c1ccc([NH3+])cc1,Nc1ccc(C(=O)N[NH3+])cc1	NNC(=O)c1ccc(N)cc1	mol5265	NNC(=O)c1ccc(N)cc1
3.5599999	OCHEM	1	0	NNC(=O)c1ccc([NH3+])cc1,Nc1ccc(C(=O)N[NH3+])cc1	NNC(=O)c1ccc(N)cc1	mol5265	NNC(=O)c1ccc(N)cc1
2.05	Datawarrior	2	1	[NH3+]NC(=O)c1ccc([NH3+])cc1	NNC(=O)c1ccc([NH3+])cc1,Nc1ccc(C(=O)N[NH3+])cc1	mol5265	NNC(=O)c1ccc(N)cc1
2.04999995231628	QSARToolbox	2	1	[NH3+]NC(=O)c1ccc([NH3+])cc1	NNC(=O)c1ccc([NH3+])cc1,Nc1ccc(C(=O)N[NH3+])cc1	mol5265	NNC(=O)c1ccc(N)cc1