pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.59999990463257	QSARToolbox	1	0	O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)C[NH2+]1	O=C([O-])[C@@H]1Cc2c([nH]c3ccccc23)C[NH2+]1	mol35994	O=C(O)C1Cc2c([nH]c3ccccc23)CN1