pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.74	Baltruschat ChEMBL	0	-1	Cc1ccccc1CC(=O)c1ccc([O-])c(C[NH+](C)C)c1O,Cc1ccccc1CC(=O)c1ccc(O)c(CN(C)C)c1O,Cc1ccccc1CC(=O)c1ccc(O)c(C[NH+](C)C)c1[O-]	Cc1ccccc1CC(=O)c1ccc(O)c(CN(C)C)c1[O-],Cc1ccccc1CC(=O)c1ccc([O-])c(CN(C)C)c1O	mol16663	Cc1ccccc1CC(=O)c1ccc(O)c(CN(C)C)c1O