pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.4	Baltruschat ChEMBL	1	0	COCC[NH+](CCOC)CC[C@@H]1CNc2cc(S(N)(=O)=O)sc2S1(=O)=O	COCCN(CCOC)CC[C@@H]1CNc2cc(S(N)(=O)=O)sc2S1(=O)=O	mol20356	COCCN(CCOC)CCC1CNc2cc(S(N)(=O)=O)sc2S1(=O)=O