pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.4	Baltruschat ChEMBL	2	1	O=C(C[NH+]1CCOCC1)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)C[NH+]3CCOCC3)cc1C2=O	O=C(CN1CCOCC1)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)C[NH+]3CCOCC3)cc1C2=O	mol16433	O=C(CN1CCOCC1)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CN3CCOCC3)cc1C2=O