pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.6	IUPAC digitized pKa	1	0	Cc1cn(-c2ccc([N+](=O)[O-])cc2)c(C)[nH+]1	Cc1cn(-c2ccc([N+](=O)[O-])cc2)c(C)n1	mol6666	Cc1cn(-c2ccc([N+](=O)[O-])cc2)c(C)n1
6.0	AttenGpKa training set	1	0	Cc1cn(-c2ccc([N+](=O)[O-])cc2)c(C)[nH+]1	Cc1cn(-c2ccc([N+](=O)[O-])cc2)c(C)n1	mol6666	Cc1cn(-c2ccc([N+](=O)[O-])cc2)c(C)n1