pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.1	AttenGpKa training set	1	0	Cc1cn(-c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)[nH+]c1C	Cc1cn(-c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)nc1C	mol25587	Cc1cn(-c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)nc1C