pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.01	Datawarrior	1	0	O[n+]1ccc2ccccc2c1	[O-][n+]1ccc2ccccc2c1	mol4345	[O-][n+]1ccc2ccccc2c1
1.00999999046326	QSARToolbox	1	0	O[n+]1ccc2ccccc2c1	[O-][n+]1ccc2ccccc2c1	mol4345	[O-][n+]1ccc2ccccc2c1