pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.35	Datawarrior	0	-1	Nc1cc2ccccc2cc1O	Nc1cc2ccccc2cc1[O-]	mol12823	Nc1cc2ccccc2cc1O
9.3500004	OCHEM	0	-1	Nc1cc2ccccc2cc1O	Nc1cc2ccccc2cc1[O-]	mol12823	Nc1cc2ccccc2cc1O
9.1	AttenGpKa training set	0	-1	Nc1cc2ccccc2cc1O	Nc1cc2ccccc2cc1[O-]	mol12823	Nc1cc2ccccc2cc1O
4.0	AttenGpKa training set	1	0	[NH3+]c1cc2ccccc2cc1O	Nc1cc2ccccc2cc1O	mol12823	Nc1cc2ccccc2cc1O