pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.3199999332428	QSARToolbox	1	0	O=C(O)[C@H]1C[NH2+]CC[C@H]1S	O=C([O-])[C@H]1C[NH2+]CC[C@H]1S	mol36349	O=C(O)[C@H]1CNCC[C@H]1S