pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.7	Baltruschat ChEMBL	0	-1	CC1(C)O[C@@H]2[C@@H](CO[C@@]3(CNS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1	CC1(C)O[C@@H]2[C@@H](CO[C@@]3(CNS([NH-])(=O)=O)OC(C)(C)O[C@@H]23)O1,CC1(C)O[C@@H]2[C@@H](CO[C@@]3(C[N-]S(N)(=O)=O)OC(C)(C)O[C@@H]23)O1	mol18923	CC1(C)O[C@@H]2[C@@H](CO[C@@]3(CNS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1