pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.33	Datawarrior	0	-1	O=C(O)[C@]12CC[C@](O)(CC1)CC2	O=C([O-])[C@]12CC[C@](O)(CC1)CC2	mol12750	O=C(O)C12CCC(O)(CC1)CC2
6.3299999	OCHEM	0	-1	O=C(O)[C@]12CC[C@](O)(CC1)CC2	O=C([O-])[C@]12CC[C@](O)(CC1)CC2	mol12750	O=C(O)C12CCC(O)(CC1)CC2
6.32999992370606	QSARToolbox	0	-1	O=C(O)[C@]12CC[C@](O)(CC1)CC2	O=C([O-])[C@]12CC[C@](O)(CC1)CC2	mol12750	O=C(O)C12CCC(O)(CC1)CC2