pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.6	AttenGpKa training set	0	-1	CNc1ncc(C(=O)O)nc1N(C)C=O	CNc1ncc(C(=O)[O-])nc1N(C)C=O	mol25812	CNc1ncc(C(=O)O)nc1N(C)C=O