pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.55	IUPAC digitized pKa	1	0	Cc1[nH+]c2ccccc2n1C	Cc1nc2ccccc2n1C	mol4503	Cc1nc2ccccc2n1C
6.5500002	OCHEM	1	0	Cc1[nH+]c2ccccc2n1C	Cc1nc2ccccc2n1C	mol4503	Cc1nc2ccccc2n1C
6.19	AttenGpKa training set	1	0	Cc1[nH+]c2ccccc2n1C	Cc1nc2ccccc2n1C	mol4503	Cc1nc2ccccc2n1C