pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.7	Baltruschat ChEMBL	0	-1	CO[C@H]1C(=O)N2C(C(=O)c3ccccc3)=C(C)[C@@H](Sc3nc(=O)c(=O)[nH]n3C)S(=O)(=O)[C@H]12	CO[C@H]1C(=O)N2C(C(=O)c3ccccc3)=C(C)[C@@H](Sc3nc(=O)c(=O)[n-]n3C)S(=O)(=O)[C@H]12	mol19520	CO[C@H]1C(=O)N2C(C(=O)c3ccccc3)=C(C)C(Sc3nc(=O)c(=O)[nH]n3C)S(=O)(=O)[C@H]12