pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.76	AttenGpKa training set	0	-1	O=C1OCC[C@H]2CC[C@@H](C(=O)O)[C@@H]12	O=C1OCC[C@H]2CC[C@@H](C(=O)[O-])[C@@H]12	mol22413	O=C1OCC[C@H]2CC[C@@H](C(=O)O)[C@@H]12