pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.6000003814697	QSARToolbox	-1	-2	CCN/C(=C/C(=O)c1cccc(S(=O)(=O)[O-])c1)SCCO	CC[N-]/C(=C/C(=O)c1cccc(S(=O)(=O)[O-])c1)SCCO	mol35829	CCN/C(=C/C(=O)c1cccc(S(=O)(=O)O)c1)SCCO