pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.32	AttenGpKa training set	0	-1	COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)OCCN1CCOCC1)C(=O)OC2,COc1c(C)c2c(c([O-])c1C/C=C(\C)CCC(=O)OCC[NH+]1CCOCC1)C(=O)OC2	COc1c(C)c2c(c([O-])c1C/C=C(\C)CCC(=O)OCCN1CCOCC1)C(=O)OC2	mol30050	COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)OCCN1CCOCC1)C(=O)OC2