pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.4	Datawarrior	0	-1	CC(C)C1=CC2=CC[C@H]3[C@@](C)(CCC[C@]3(C)C(=O)O)[C@@H]2CC1	CC(C)C1=CC2=CC[C@H]3[C@@](C)(CCC[C@]3(C)C(=O)[O-])[C@@H]2CC1	mol15020	CC(C)C1=CC2=CC[C@H]3[C@@](C)(CCC[C@]3(C)C(=O)O)[C@@H]2CC1