pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.55	IUPAC digitized pKa	0	-1	Oc1ccc2nnccc2c1	[O-]c1ccc2nnccc2c1	mol1415	Oc1ccc2nnccc2c1
7.52	Datawarrior	0	-1	Oc1ccc2nnccc2c1	[O-]c1ccc2nnccc2c1	mol1415	Oc1ccc2nnccc2c1
3.63	IUPAC digitized pKa	1	0	Oc1ccc2[nH+]nccc2c1,Oc1ccc2n[nH+]ccc2c1	Oc1ccc2nnccc2c1	mol1415	Oc1ccc2nnccc2c1
3.65	Datawarrior	1	0	Oc1ccc2[nH+]nccc2c1,Oc1ccc2n[nH+]ccc2c1	Oc1ccc2nnccc2c1	mol1415	Oc1ccc2nnccc2c1
3.6500001	OCHEM	1	0	Oc1ccc2[nH+]nccc2c1,Oc1ccc2n[nH+]ccc2c1	Oc1ccc2nnccc2c1	mol1415	Oc1ccc2nnccc2c1
3.65000009536743	QSARToolbox	1	0	Oc1ccc2[nH+]nccc2c1,Oc1ccc2n[nH+]ccc2c1	Oc1ccc2nnccc2c1	mol1415	Oc1ccc2nnccc2c1