pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.68	AttenGpKa training set	0	-1	CC[C@H](C)OC(=O)[C@@H](O)[C@@H](O)C(=O)O	CC[C@H](C)OC(=O)[C@@H](O)[C@@H](O)C(=O)[O-]	mol22606	CCC(C)OC(=O)[C@@H](O)[C@@H](O)C(=O)O