pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.16	Datawarrior	1	0	CC(=O)n1ccc[nH+]1	CC(=O)n1cccn1	mol12385	CC(=O)n1cccn1
3.1600001	OCHEM	1	0	CC(=O)n1ccc[nH+]1	CC(=O)n1cccn1	mol12385	CC(=O)n1cccn1
3.16000008583069	QSARToolbox	1	0	CC(=O)n1ccc[nH+]1	CC(=O)n1cccn1	mol12385	CC(=O)n1cccn1
2.94	AttenGpKa training set	1	0	CC(=O)n1ccc[nH+]1	CC(=O)n1cccn1	mol12385	CC(=O)n1cccn1