pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.06	Hunt	1	0	NC(=O)c1cnc(N)[nH+]c1,NC(=O)c1cnc([NH3+])nc1	NC(=O)c1cnc(N)nc1	mol1610	NC(=O)c1cnc(N)nc1
1.8	OCHEM	1	0	NC(=O)c1cnc(N)[nH+]c1,NC(=O)c1cnc([NH3+])nc1	NC(=O)c1cnc(N)nc1	mol1610	NC(=O)c1cnc(N)nc1
2.59999990463257	QSARToolbox	1	0	NC(=O)c1cnc(N)[nH+]c1,NC(=O)c1cnc([NH3+])nc1	NC(=O)c1cnc(N)nc1	mol1610	NC(=O)c1cnc(N)nc1