pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.66	Datawarrior	0	-1	CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)O	CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)[O-]	mol15124	CC(C)(C)OC(=O)NC(CCC(N)=O)C(=O)O
3.6600001	OCHEM	0	-1	CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)O	CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)[O-]	mol15124	CC(C)(C)OC(=O)NC(CCC(N)=O)C(=O)O