pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.6	Baltruschat ChEMBL	1	0	CNC(=O)c1cc2c([nH+]c(C)n2C)c2c1CC[C@@H](c1ccc(Cl)cc1C)O2	CNC(=O)c1cc2c(nc(C)n2C)c2c1CC[C@@H](c1ccc(Cl)cc1C)O2	mol21629	CNC(=O)c1cc2c(nc(C)n2C)c2c1CC[C@@H](c1ccc(Cl)cc1C)O2