pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.5	IUPAC digitized pKa	0	-1	Nc1ncc2ncc(O)nc2n1	Nc1ncc2ncc([O-])nc2n1	mol4730	Nc1ncc2ncc(O)nc2n1
1.5	IUPAC digitized pKa	1	0	Nc1ncc2ncc(O)[nH+]c2n1,Nc1ncc2ncc(O)nc2[nH+]1,Nc1ncc2[nH+]cc(O)nc2n1,Nc1nc2nc(O)cnc2c[nH+]1,[NH3+]c1ncc2ncc(O)nc2n1	Nc1ncc2ncc(O)nc2n1	mol4730	Nc1ncc2ncc(O)nc2n1