pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.85	OCHEM	0	-1	N=C(c1ccccc1)c1ccc(O)cc1,[NH2+]=C(c1ccccc1)c1ccc([O-])cc1	N=C(c1ccccc1)c1ccc([O-])cc1	mol3468	N=C(c1ccccc1)c1ccc(O)cc1
6.45	IUPAC digitized pKa	1	0	[NH2+]=C(c1ccccc1)c1ccc(O)cc1	N=C(c1ccccc1)c1ccc(O)cc1,[NH2+]=C(c1ccccc1)c1ccc([O-])cc1	mol3468	N=C(c1ccccc1)c1ccc(O)cc1
6.4499998	OCHEM	1	0	[NH2+]=C(c1ccccc1)c1ccc(O)cc1	N=C(c1ccccc1)c1ccc(O)cc1,[NH2+]=C(c1ccccc1)c1ccc([O-])cc1	mol3468	N=C(c1ccccc1)c1ccc(O)cc1