pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.99	IUPAC digitized pKa	1	0	Cn1ccc2cc(=[OH+])ccc-2c1	Cn1ccc2cc(=O)ccc-2c1	mol4329	Cn1ccc2cc(=O)ccc-2c1
5.94	AttenGpKa training set	1	0	Cn1ccc2cc(=[OH+])ccc-2c1	Cn1ccc2cc(=O)ccc-2c1	mol4329	Cn1ccc2cc(=O)ccc-2c1