pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.72	IUPAC digitized pKa	0	-1	Oc1ccnnc1	[O-]c1ccnnc1	mol1335	Oc1ccnnc1
8.68	Datawarrior	0	-1	Oc1ccnnc1	[O-]c1ccnnc1	mol1335	Oc1ccnnc1
8.6800003	OCHEM	0	-1	Oc1ccnnc1	[O-]c1ccnnc1	mol1335	Oc1ccnnc1
8.68000030517578	QSARToolbox	0	-1	Oc1ccnnc1	[O-]c1ccnnc1	mol1335	Oc1ccnnc1
8.72000026702881	QSARToolbox	0	-1	Oc1ccnnc1	[O-]c1ccnnc1	mol1335	Oc1ccnnc1
1.07	Datawarrior	1	0	Oc1ccn[nH+]c1,Oc1cc[nH+]nc1	Oc1ccnnc1	mol1335	Oc1ccnnc1
1.0700001	OCHEM	1	0	Oc1ccn[nH+]c1,Oc1cc[nH+]nc1	Oc1ccnnc1	mol1335	Oc1ccnnc1
1.70000004768372	QSARToolbox	1	0	Oc1ccn[nH+]c1,Oc1cc[nH+]nc1	Oc1ccnnc1	mol1335	Oc1ccnnc1