pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.4	Datawarrior	0	-1	C[C@@H]1[NH2+][C@H](CCCCCCCC(=O)[O-])CC[C@@H]1O	C[C@@H]1N[C@H](CCCCCCCC(=O)[O-])CC[C@@H]1O	mol14878	C[C@@H]1N[C@H](CCCCCCCC(=O)O)CC[C@@H]1O
4.6	Datawarrior	1	0	C[C@@H]1[NH2+][C@H](CCCCCCCC(=O)O)CC[C@@H]1O	C[C@@H]1[NH2+][C@H](CCCCCCCC(=O)[O-])CC[C@@H]1O	mol14878	C[C@@H]1N[C@H](CCCCCCCC(=O)O)CC[C@@H]1O