pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.77	Datawarrior	1	0	O[n+]1ccccc1	[O-][n+]1ccccc1	mol16039	O[n+]1ccccc1
0.76999998	OCHEM	1	0	O[n+]1ccccc1	[O-][n+]1ccccc1	mol16039	O[n+]1ccccc1
0.675	AttenGpKa training set	1	0	O[n+]1ccccc1	[O-][n+]1ccccc1	mol16039	O[n+]1ccccc1