pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.48	AttenGpKa training set	0	-1	COC(=O)[C@@H]([C@H](C)O)[N+](=O)[O-]	COC(=O)[C-]([C@H](C)O)[N+](=O)[O-]	mol27873	COC(=O)[C@@H]([C@H](C)O)[N+](=O)[O-]