pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.58	IUPAC digitized pKa	0	-1	c1ncc2cn[nH]c2n1	c1ncc2cn[n-]c2n1	mol4920	c1ncc2cn[nH]c2n1
9.54	Datawarrior	0	-1	c1ncc2cn[nH]c2n1	c1ncc2cn[n-]c2n1	mol4920	c1ncc2cn[nH]c2n1
2.8	IUPAC digitized pKa	1	0	c1ncc2c[nH+][nH]c2n1,c1nc2[nH]ncc2c[nH+]1,c1ncc2cn[nH]c2[nH+]1	c1ncc2cn[nH]c2n1	mol4920	c1ncc2cn[nH]c2n1
2.84	Datawarrior	1	0	c1ncc2c[nH+][nH]c2n1,c1nc2[nH]ncc2c[nH+]1,c1ncc2cn[nH]c2[nH+]1	c1ncc2cn[nH]c2n1	mol4920	c1ncc2cn[nH]c2n1
2.8399999	OCHEM	1	0	c1ncc2c[nH+][nH]c2n1,c1nc2[nH]ncc2c[nH+]1,c1ncc2cn[nH]c2[nH+]1	c1ncc2cn[nH]c2n1	mol4920	c1ncc2cn[nH]c2n1
2.83999991416931	QSARToolbox	1	0	c1ncc2c[nH+][nH]c2n1,c1nc2[nH]ncc2c[nH+]1,c1ncc2cn[nH]c2[nH+]1	c1ncc2cn[nH]c2n1	mol4920	c1ncc2cn[nH]c2n1