pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.21	IUPAC digitized pKa	0	-1	Oc1ccc2ncncc2c1	[O-]c1ccc2ncncc2c1	mol1429	Oc1ccc2ncncc2c1
8.19	Datawarrior	0	-1	Oc1ccc2ncncc2c1	[O-]c1ccc2ncncc2c1	mol1429	Oc1ccc2ncncc2c1
8.1899996	OCHEM	0	-1	Oc1ccc2ncncc2c1	[O-]c1ccc2ncncc2c1	mol1429	Oc1ccc2ncncc2c1
8.1899995803833	QSARToolbox	0	-1	Oc1ccc2ncncc2c1	[O-]c1ccc2ncncc2c1	mol1429	Oc1ccc2ncncc2c1
8.21000003814697	QSARToolbox	0	-1	Oc1ccc2ncncc2c1	[O-]c1ccc2ncncc2c1	mol1429	Oc1ccc2ncncc2c1
3.1	IUPAC digitized pKa	1	0	Oc1ccc2[nH+]cncc2c1,Oc1ccc2nc[nH+]cc2c1	Oc1ccc2ncncc2c1	mol1429	Oc1ccc2ncncc2c1
3.12	Datawarrior	1	0	Oc1ccc2[nH+]cncc2c1,Oc1ccc2nc[nH+]cc2c1	Oc1ccc2ncncc2c1	mol1429	Oc1ccc2ncncc2c1
3.1199999	OCHEM	1	0	Oc1ccc2[nH+]cncc2c1,Oc1ccc2nc[nH+]cc2c1	Oc1ccc2ncncc2c1	mol1429	Oc1ccc2ncncc2c1
3.11999988555908	QSARToolbox	1	0	Oc1ccc2[nH+]cncc2c1,Oc1ccc2nc[nH+]cc2c1	Oc1ccc2ncncc2c1	mol1429	Oc1ccc2ncncc2c1
3.09999990463257	QSARToolbox	1	0	Oc1ccc2[nH+]cncc2c1,Oc1ccc2nc[nH+]cc2c1	Oc1ccc2ncncc2c1	mol1429	Oc1ccc2ncncc2c1