pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.61	Datawarrior	1	0	O=C(Cc1ccccc1)c1cc[n+](Cc2cccc([N+](=O)[O-])c2)cc1	O=C([CH-]c1ccccc1)c1cc[n+](Cc2cccc([N+](=O)[O-])c2)cc1	mol15338	O=C([CH-]c1ccccc1)c1cc[n+](Cc2cccc([N+](=O)[O-])c2)cc1
8.6800003	OCHEM	1	0	O=C(Cc1ccccc1)c1cc[n+](Cc2cccc([N+](=O)[O-])c2)cc1	O=C([CH-]c1ccccc1)c1cc[n+](Cc2cccc([N+](=O)[O-])c2)cc1	mol15338	O=C([CH-]c1ccccc1)c1cc[n+](Cc2cccc([N+](=O)[O-])c2)cc1