pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.49	AttenGpKa training set	0	-1	CCC/C(=C\c1ccc([NH+](C)C)cc1)C(=O)[O-],CCC/C(=C\c1ccc(N(C)C)cc1)C(=O)O	CCC/C(=C\c1ccc(N(C)C)cc1)C(=O)[O-]	mol23560	CCC/C(=C\c1ccc(N(C)C)cc1)C(=O)O