pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.8	IUPAC digitized pKa	0	-1	O=S(=O)([O-])CC[NH2+]c1ccccc1,O=S(=O)(O)CCNc1ccccc1	O=S(=O)([O-])CCNc1ccccc1	mol5312	O=S(=O)(O)CCNc1ccccc1
3.79999995231628	QSARToolbox	0	-1	O=S(=O)([O-])CC[NH2+]c1ccccc1,O=S(=O)(O)CCNc1ccccc1	O=S(=O)([O-])CCNc1ccccc1	mol5312	O=S(=O)(O)CCNc1ccccc1
3.80999994277954	QSARToolbox	0	-1	O=S(=O)([O-])CC[NH2+]c1ccccc1,O=S(=O)(O)CCNc1ccccc1	O=S(=O)([O-])CCNc1ccccc1	mol5312	O=S(=O)(O)CCNc1ccccc1