pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.77	Datawarrior	1	0	COc1ccc(C[NH3+])c([N+](=O)[O-])c1	COc1ccc(CN)c([N+](=O)[O-])c1	mol13900	COc1ccc(CN)c([N+](=O)[O-])c1
8.7700005	OCHEM	1	0	COc1ccc(C[NH3+])c([N+](=O)[O-])c1	COc1ccc(CN)c([N+](=O)[O-])c1	mol13900	COc1ccc(CN)c([N+](=O)[O-])c1
8.77000045776367	QSARToolbox	1	0	COc1ccc(C[NH3+])c([N+](=O)[O-])c1	COc1ccc(CN)c([N+](=O)[O-])c1	mol13900	COc1ccc(CN)c([N+](=O)[O-])c1