pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
14.58	Baltruschat ChEMBL	-2	-3	CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc([O-])c3[n-]c(=O)ccc13)C2	CCc1cc2c(cc1CC)CC(NC[C@H]([O-])c1ccc([O-])c3[n-]c(=O)ccc13)C2	mol20877	CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2