pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.11	Baltruschat ChEMBL	1	0	COc1ccc([C@@](CC(F)(F)C[NH3+])(c2ccccc2)c2ccc(C)cc2)cc1	COc1ccc([C@@](CC(F)(F)CN)(c2ccccc2)c2ccc(C)cc2)cc1	mol19726	COc1ccc(C(CC(F)(F)CN)(c2ccccc2)c2ccc(C)cc2)cc1