pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.7	AttenGpKa training set	0	-1	CC[C@H](CC(=O)O)c1ccc([C@H](C)CC)cc1	CC[C@H](CC(=O)[O-])c1ccc([C@H](C)CC)cc1	mol23562	CCC(C)c1ccc(C(CC)CC(=O)O)cc1