pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.51	IUPAC digitized pKa	0	-1	c1c[nH]nn1	c1c[n-]nn1	mol4285	c1c[nH]nn1
9.26	Baltruschat ChEMBL	0	-1	c1c[nH]nn1	c1c[n-]nn1	mol4285	c1c[nH]nn1
8.78999996185303	QSARToolbox	0	-1	c1c[nH]nn1	c1c[n-]nn1	mol4285	c1c[nH]nn1
9.23	AttenGpKa training set	0	-1	c1c[nH]nn1	c1c[n-]nn1	mol4285	c1c[nH]nn1
9.396666667	AttenGpKa training set	0	-1	c1c[nH]nn1	c1c[n-]nn1	mol4285	c1c[nH]nn1
1.17	IUPAC digitized pKa	1	0	c1c[nH][nH+]n1,c1c[nH+]n[nH]1	c1c[nH]nn1	mol4285	c1c[nH]nn1
1.31	AttenGpKa training set	1	0	c1c[nH][nH+]n1,c1c[nH+]n[nH]1	c1c[nH]nn1	mol4285	c1c[nH]nn1