pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.0	IUPAC digitized pKa	0	-1	Cc1nc(=O)[nH]c2nccnc12	Cc1nc(=O)[n-]c2nccnc12	mol10099	Cc1nc(=O)[nH]c2nccnc12
8.2	AttenGpKa training set	0	-1	Cc1nc(=O)[nH]c2nccnc12	Cc1nc(=O)[n-]c2nccnc12	mol10099	Cc1nc(=O)[nH]c2nccnc12