pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.17	IUPAC digitized pKa	0	-1	Cc1cncnc1O	Cc1cncnc1[O-]	mol1620	Cc1cncnc1O
8.87	OCHEM	0	-1	Cc1cncnc1O	Cc1cncnc1[O-]	mol1620	Cc1cncnc1O
9.17000007629395	QSARToolbox	0	-1	Cc1cncnc1O	Cc1cncnc1[O-]	mol1620	Cc1cncnc1O
2.29	IUPAC digitized pKa	1	0	Cc1c[nH+]cnc1O,Cc1cnc[nH+]c1O	Cc1cncnc1O	mol1620	Cc1cncnc1O
2.28999996185303	QSARToolbox	1	0	Cc1c[nH+]cnc1O,Cc1cnc[nH+]c1O	Cc1cncnc1O	mol1620	Cc1cncnc1O