pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.5	QSARToolbox	-2	-3	C[C@H]1[C@@H](NCC(=O)[O-])[C@@H](C)[C@@H]([NH2+]CC(=O)[O-])[C@@H](C)[C@H]1NCC(=O)[O-]	C[C@H]1[C@@H](NCC(=O)[O-])[C@@H](C)[C@@H](NCC(=O)[O-])[C@@H](C)[C@H]1NCC(=O)[O-]	mol35109	C[C@H]1[C@@H](NCC(=O)O)[C@@H](C)[C@@H](NCC(=O)O)[C@@H](C)[C@H]1NCC(=O)O