pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.94999980926514	QSARToolbox	1	0	CC(=O)O[C@@H](C[NH3+])COc1cccc2ccccc12	CC(=O)O[C@@H](CN)COc1cccc2ccccc12	mol34736	CC(=O)OC(CN)COc1cccc2ccccc12