pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.44	AttenGpKa training set	0	-1	O=C(O)[C@H]1CC[C@@H](C(=O)O)CC1	O=C([O-])[C@H]1CC[C@@H](C(=O)O)CC1	mol22558	O=C(O)[C@H]1CC[C@@H](C(=O)O)CC1
5.79	AttenGpKa training set	0	-1	O=C(O)[C@H]1CC[C@@H](C(=O)O)CC1	O=C([O-])[C@H]1CC[C@@H](C(=O)O)CC1	mol22558	O=C(O)[C@H]1CC[C@@H](C(=O)O)CC1