pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.7	Datawarrior	0	-1	O=C(CC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1	O=C(CC(=O)c1ccc([N+](=O)[O-])cc1)[N-]c1ccccc1,O=C([CH-]C(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1	mol15383	O=C(CC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1
8.6999998	OCHEM	0	-1	O=C(CC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1	O=C(CC(=O)c1ccc([N+](=O)[O-])cc1)[N-]c1ccccc1,O=C([CH-]C(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1	mol15383	O=C(CC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1