pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.2	Datawarrior	0	-1	CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-]	CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-]	mol14787	CCCCCCCCCCCCCCCC(=O)NC(Cc1c[nH]cn1)C(=O)O
6.1999998	OCHEM	0	-1	CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-]	CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-]	mol14787	CCCCCCCCCCCCCCCC(=O)NC(Cc1c[nH]cn1)C(=O)O