pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.53999996185303	QSARToolbox	0	-1	CC[NH+](CC)c1ccccc1S(=O)(=O)[O-]	CCN(CC)c1ccccc1S(=O)(=O)[O-]	mol34107	CCN(CC)c1ccccc1S(=O)(=O)O
4.36999988555908	QSARToolbox	0	-1	CC[NH+](CC)c1ccccc1S(=O)(=O)[O-]	CCN(CC)c1ccccc1S(=O)(=O)[O-]	mol34107	CCN(CC)c1ccccc1S(=O)(=O)O
4.21999979019165	QSARToolbox	0	-1	CC[NH+](CC)c1ccccc1S(=O)(=O)[O-]	CCN(CC)c1ccccc1S(=O)(=O)[O-]	mol34107	CCN(CC)c1ccccc1S(=O)(=O)O