pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.4	Datawarrior	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	mol15163	C[C@@]12CC(=O)N[C@]1(CCC(=O)O)C(=O)NC2=O
8.1	Datawarrior	-1	-2	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)[N-]C2=O,C[C@@]12CC(=O)[N-][C@]1(CCC(=O)[O-])C(=O)NC2=O	mol15163	C[C@@]12CC(=O)N[C@]1(CCC(=O)O)C(=O)NC2=O