pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.55	Datawarrior	1	0	COc1ccc([N+](=O)[O-])c2ccc[nH+]c12	COc1ccc([N+](=O)[O-])c2cccnc12	mol15743	COc1ccc([N+](=O)[O-])c2cccnc12
3.54999995231628	QSARToolbox	1	0	COc1ccc([N+](=O)[O-])c2ccc[nH+]c12	COc1ccc([N+](=O)[O-])c2cccnc12	mol15743	COc1ccc([N+](=O)[O-])c2cccnc12