pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.0	Baltruschat ChEMBL	1	0	CC[C@H](NC(=O)c1ccccc1[NH2+]S(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1	CC[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1	mol18088	CC[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1