pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.51	IUPAC digitized pKa	1	0	Cc1cn(-c2ccc([N+](=O)[O-])cc2)[nH+]c1C	Cc1cn(-c2ccc([N+](=O)[O-])cc2)nc1C	mol6886	Cc1cn(-c2ccc([N+](=O)[O-])cc2)nc1C
0.5	AttenGpKa training set	1	0	Cc1cn(-c2ccc([N+](=O)[O-])cc2)[nH+]c1C	Cc1cn(-c2ccc([N+](=O)[O-])cc2)nc1C	mol6886	Cc1cn(-c2ccc([N+](=O)[O-])cc2)nc1C