pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.8	Baltruschat ChEMBL	-1	-2	O=C([O-])CCCCc1cc(=O)oc2c(CN3CCOCC3)c(O)ccc12,O=C([O-])CCCCc1cc(=O)oc2c(C[NH+]3CCOCC3)c([O-])ccc12	O=C([O-])CCCCc1cc(=O)oc2c(CN3CCOCC3)c([O-])ccc12	mol21566	O=C(O)CCCCc1cc(=O)oc2c(CN3CCOCC3)c(O)ccc12