pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.89	IUPAC digitized pKa	0	-1	Oc1nc2cncnc2nc1O	[O-]c1nc2ncncc2nc1O,[O-]c1nc2cncnc2nc1O	mol4795	Oc1nc2cncnc2nc1O
6.86999988555908	QSARToolbox	0	-1	Oc1nc2cncnc2nc1O	[O-]c1nc2ncncc2nc1O,[O-]c1nc2cncnc2nc1O	mol4795	Oc1nc2cncnc2nc1O
6.87	AttenGpKa training set	0	-1	Oc1nc2cncnc2nc1O	[O-]c1nc2ncncc2nc1O,[O-]c1nc2cncnc2nc1O	mol4795	Oc1nc2cncnc2nc1O
0.9	AttenGpKa training set	1	0	Oc1nc2cnc[nH+]c2nc1O,Oc1nc2c[nH+]cnc2nc1O,Oc1nc2ncncc2[nH+]c1O	Oc1nc2cncnc2nc1O	mol4795	Oc1nc2cncnc2nc1O
10.0	IUPAC digitized pKa	-1	-2	[O-]c1nc2ncncc2nc1O,[O-]c1nc2cncnc2nc1O	[O-]c1nc2cncnc2nc1[O-]	mol4795	Oc1nc2cncnc2nc1O