pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.02	Datawarrior	0	-1	CC[C@](C)(O)c1cnc(CC(C)C)c(O)[n+]1[O-]	CC[C@](C)(O)c1cnc(CC(C)C)c([O-])[n+]1[O-]	mol15250	CCC(C)(O)c1cnc(CC(C)C)c(O)[n+]1[O-]