pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.08	Datawarrior	1	0	NC(=O)Cc1cc[nH+]cc1	NC(=O)Cc1ccncc1	mol12990	NC(=O)Cc1ccncc1
5.0799999	OCHEM	1	0	NC(=O)Cc1cc[nH+]cc1	NC(=O)Cc1ccncc1	mol12990	NC(=O)Cc1ccncc1
5.07999992370606	QSARToolbox	1	0	NC(=O)Cc1cc[nH+]cc1	NC(=O)Cc1ccncc1	mol12990	NC(=O)Cc1ccncc1