pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.8	Datawarrior	1	0	CNC(=O)c1cc[nH+]cc1	CNC(=O)c1ccncc1	mol12989	CNC(=O)c1ccncc1
3.79999995231628	QSARToolbox	1	0	CNC(=O)c1cc[nH+]cc1	CNC(=O)c1ccncc1	mol12989	CNC(=O)c1ccncc1