pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.7	AttenGpKa training set	0	-1	CC[C@@](CC(=O)OC)(C(=O)O)c1ccc([N+](=O)[O-])cc1	CC[C@@](CC(=O)OC)(C(=O)[O-])c1ccc([N+](=O)[O-])cc1	mol22652	CCC(CC(=O)OC)(C(=O)O)c1ccc([N+](=O)[O-])cc1