pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.52	AttenGpKa training set	0	-1	CCOC(=O)[C@@H]([C@@H](C)O)[N+](=O)[O-]	CCOC(=O)[C-]([C@@H](C)O)[N+](=O)[O-]	mol27440	CCOC(=O)C(C(C)O)[N+](=O)[O-]