pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-1.66	AttenGpKa training set	1	0	Cc1cc([N+](=O)[O-])c([NH+](C)C)c([N+](=O)[O-])c1	Cc1cc([N+](=O)[O-])c(N(C)C)c([N+](=O)[O-])c1	mol6073	Cc1cc([N+](=O)[O-])c(N(C)C)c([N+](=O)[O-])c1
