pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.97	IUPAC digitized pKa	0	-1	CN(C)c1ncc2ncc(O)nc2n1	CN(C)c1ncc2ncc([O-])nc2n1	mol8174	CN(C)c1ncc2ncc(O)nc2n1
2.02	IUPAC digitized pKa	1	0	CN(C)c1ncc2[nH+]cc(O)nc2n1,CN(C)c1ncc2ncc(O)nc2[nH+]1,CN(C)c1ncc2ncc(O)[nH+]c2n1,C[NH+](C)c1ncc2ncc(O)nc2n1,CN(C)c1nc2nc(O)cnc2c[nH+]1	CN(C)c1ncc2ncc(O)nc2n1	mol8174	CN(C)c1ncc2ncc(O)nc2n1