pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.40000009536743	QSARToolbox	0	-1	C[C@]12CC(=O)N[C@@]1(CCC(=O)O)C(=O)NC2=O	C[C@]12CC(=O)N[C@@]1(CCC(=O)[O-])C(=O)NC2=O	mol35120	C[C@]12CC(=O)N[C@@]1(CCC(=O)O)C(=O)NC2=O