pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.28	Baltruschat ChEMBL	1	0	Cc1ccccc1[C@@H]1CCc2c(C(=O)N(C)C)cc3c([nH+]c(C4CC4)n3C)c2O1	Cc1ccccc1[C@@H]1CCc2c(C(=O)N(C)C)cc3c(nc(C4CC4)n3C)c2O1	mol21635	Cc1ccccc1[C@@H]1CCc2c(C(=O)N(C)C)cc3c(nc(C4CC4)n3C)c2O1