pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.96	Datawarrior	1	0	C[n+]1cccc(O)c1	C[n+]1cccc([O-])c1	mol12417	C[n+]1cccc(O)c1
4.96000003814697	QSARToolbox	1	0	C[n+]1cccc(O)c1	C[n+]1cccc([O-])c1	mol12417	C[n+]1cccc(O)c1