pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.0	Datawarrior	0	-1	Cc1cccc(CCCCCCCC(=O)[O-])[nH+]1,Cc1cccc(CCCCCCCC(=O)O)n1	Cc1cccc(CCCCCCCC(=O)[O-])n1	mol15258	Cc1cccc(CCCCCCCC(=O)O)n1
4.6	Datawarrior	1	0	Cc1cccc(CCCCCCCC(=O)O)[nH+]1	Cc1cccc(CCCCCCCC(=O)[O-])[nH+]1,Cc1cccc(CCCCCCCC(=O)O)n1	mol15258	Cc1cccc(CCCCCCCC(=O)O)n1
4.5999999	OCHEM	1	0	Cc1cccc(CCCCCCCC(=O)O)[nH+]1	Cc1cccc(CCCCCCCC(=O)[O-])[nH+]1,Cc1cccc(CCCCCCCC(=O)O)n1	mol15258	Cc1cccc(CCCCCCCC(=O)O)n1