pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.64	IUPAC digitized pKa	0	-1	CNc1ncc2ncc(O)nc2n1	CNc1ncc2ncc([O-])nc2n1	mol8205	CNc1ncc2ncc(O)nc2n1
7.59	AttenGpKa training set	0	-1	CNc1ncc2ncc(O)nc2n1	CNc1ncc2ncc([O-])nc2n1	mol8205	CNc1ncc2ncc(O)nc2n1
2.08	AttenGpKa training set	1	0	C[NH2+]c1ncc2ncc(O)nc2n1,CNc1ncc2ncc(O)[nH+]c2n1,CNc1ncc2[nH+]cc(O)nc2n1,CNc1nc2nc(O)cnc2c[nH+]1,CNc1ncc2ncc(O)nc2[nH+]1	CNc1ncc2ncc(O)nc2n1	mol8205	CNc1ncc2ncc(O)nc2n1