pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.79	IUPAC digitized pKa	0	-1	CC(=O)Nc1ncc2ncc(O)nc2n1	CC(=O)Nc1ncc2ncc([O-])nc2n1	mol8030	CC(=O)Nc1ncc2ncc(O)nc2n1
1.12	IUPAC digitized pKa	1	0	CC(=O)Nc1ncc2ncc(O)nc2[nH+]1,CC(=O)Nc1nc2nc(O)cnc2c[nH+]1,CC(=O)Nc1ncc2[nH+]cc(O)nc2n1	CC(=O)Nc1ncc2ncc(O)nc2n1	mol8030	CC(=O)Nc1ncc2ncc(O)nc2n1