pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.6599998474121	QSARToolbox	0	-1	O=C(Nc1ccccc1)c1ccccc1	O=C([N-]c1ccccc1)c1ccccc1	mol3326	O=C(Nc1ccccc1)c1ccccc1
13.7	AttenGpKa training set	0	-1	O=C(Nc1ccccc1)c1ccccc1	O=C([N-]c1ccccc1)c1ccccc1	mol3326	O=C(Nc1ccccc1)c1ccccc1
1.26	IUPAC digitized pKa	1	0	[OH+]=C(Nc1ccccc1)c1ccccc1	O=C(Nc1ccccc1)c1ccccc1	mol3326	O=C(Nc1ccccc1)c1ccccc1
1.3	AttenGpKa training set	1	0	[OH+]=C(Nc1ccccc1)c1ccccc1	O=C(Nc1ccccc1)c1ccccc1	mol3326	O=C(Nc1ccccc1)c1ccccc1