pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.25	AttenGpKa training set	0	-1	O=[N+]([O-])c1ncc[nH]1	O=[N+]([O-])c1ncc[n-]1	mol6695	O=[N+]([O-])c1ncc[nH]1
-0.81	Organic Oxygen Acids and Nitrogen Bases	1	0	O=[N+]([O-])c1[nH]cc[nH+]1	O=[N+]([O-])c1ncc[nH]1	mol6695	O=[N+]([O-])c1ncc[nH]1
0.81	Baltruschat ChEMBL	1	0	O=[N+]([O-])c1[nH]cc[nH+]1	O=[N+]([O-])c1ncc[nH]1	mol6695	O=[N+]([O-])c1ncc[nH]1
-0.66	AttenGpKa training set	1	0	O=[N+]([O-])c1[nH]cc[nH+]1	O=[N+]([O-])c1ncc[nH]1	mol6695	O=[N+]([O-])c1ncc[nH]1