pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.5	AttenGpKa training set	1	0	Cc1[nH+]c(N)c([N+](=O)[O-])n1C,Cc1nc([NH3+])c([N+](=O)[O-])n1C	Cc1nc(N)c([N+](=O)[O-])n1C	mol25371	Cc1nc(N)c([N+](=O)[O-])n1C