pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.8	Baltruschat ChEMBL	1	0	CC[C@H](NC(=O)c1cc(F)ccc1[NH2+]S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1	CC[C@H](NC(=O)c1cc(F)ccc1NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1	mol18087	CC[C@H](NC(=O)c1cc(F)ccc1NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1