pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.6	Hunt	0	-1	CCC(CC)n1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1NS(=O)(=O)c1ccc(C)cc1	CCC(CC)n1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1[N-]S(=O)(=O)c1ccc(C)cc1	mol1969	CCC(CC)n1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1NS(=O)(=O)c1ccc(C)cc1