pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.5	IUPAC digitized pKa	1	0	COc1cnc2[nH+]c(N)n(C)c(=O)c2n1,COc1c[nH+]c2nc(N)n(C)c(=O)c2n1,COc1cnc2nc([NH3+])n(C)c(=O)c2n1,COc1cnc2nc(N)n(C)c(=O)c2[nH+]1	COc1cnc2nc(N)n(C)c(=O)c2n1	mol8062	COc1cnc2nc(N)n(C)c(=O)c2n1