pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.54	AttenGpKa training set	0	-1	Cn1cnc(O)c2ncc(=O)nc1-2	Cn1cnc([O-])c2ncc(=O)nc1-2	mol26228	Cn1cnc(O)c2ncc(=O)nc1-2