pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.59999990463257	QSARToolbox	0	-1	O=C1CC[C@@H](C(=O)O)N1	O=C1CC[C@@H](C(=O)[O-])N1	mol33770	O=C1CC[C@@H](C(=O)O)N1
3.23000001907349	QSARToolbox	0	-1	O=C1CC[C@@H](C(=O)O)N1	O=C1CC[C@@H](C(=O)[O-])N1	mol33770	O=C1CC[C@@H](C(=O)O)N1
3.3199999332428	QSARToolbox	0	-1	O=C1CC[C@@H](C(=O)O)N1	O=C1CC[C@@H](C(=O)[O-])N1	mol33770	O=C1CC[C@@H](C(=O)O)N1
3.75999999046326	QSARToolbox	0	-1	O=C1CC[C@@H](C(=O)O)N1	O=C1CC[C@@H](C(=O)[O-])N1	mol33770	O=C1CC[C@@H](C(=O)O)N1