pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.5	Datawarrior	0	-1	N[C@H]1CC(=O)N(CCCC[C@H]([NH3+])C(=O)[O-])C1=O	N[C@@H](CCCCN1C(=O)C[C@H](N)C1=O)C(=O)[O-]	mol15266	N[C@@H](CCCCN1C(=O)C[C@H](N)C1=O)C(=O)O
6.0	Datawarrior	1	0	[NH3+][C@@H](CCCCN1C(=O)C[C@H]([NH3+])C1=O)C(=O)[O-]	N[C@H]1CC(=O)N(CCCC[C@H]([NH3+])C(=O)[O-])C1=O	mol15266	N[C@@H](CCCCN1C(=O)C[C@H](N)C1=O)C(=O)O
2.5	Datawarrior	2	1	[NH3+][C@@H](CCCCN1C(=O)C[C@H]([NH3+])C1=O)C(=O)O	[NH3+][C@@H](CCCCN1C(=O)C[C@H]([NH3+])C1=O)C(=O)[O-]	mol15266	N[C@@H](CCCCN1C(=O)C[C@H](N)C1=O)C(=O)O