pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.98	Hunt	1	0	CCOC(=O)c1cc([NH3+])cc([N+](=O)[O-])c1	CCOC(=O)c1cc(N)cc([N+](=O)[O-])c1	mol1676	CCOC(=O)c1cc(N)cc([N+](=O)[O-])c1