pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.95	Baltruschat ChEMBL	0	-1	COCCN(CCOC)Cc1cc2cc(S(N)(=O)=O)oc2s1	COCCN(CCOC)Cc1cc2cc(S([NH-])(=O)=O)oc2s1	mol18066	COCCN(CCOC)Cc1cc2cc(S(N)(=O)=O)oc2s1
5.57	Baltruschat ChEMBL	1	0	COCC[NH+](CCOC)Cc1cc2cc(S(N)(=O)=O)oc2s1	COCCN(CCOC)Cc1cc2cc(S(N)(=O)=O)oc2s1	mol18066	COCCN(CCOC)Cc1cc2cc(S(N)(=O)=O)oc2s1