pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.03	IUPAC digitized pKa	0	-1	COc1ccc(C[C@H]([NH3+])C(=O)[O-])c(F)c1	COc1ccc(C[C@H](N)C(=O)[O-])c(F)c1	mol5435	COc1ccc(C[C@H](N)C(=O)O)c(F)c1
2.12	IUPAC digitized pKa	1	0	COc1ccc(C[C@H]([NH3+])C(=O)O)c(F)c1	COc1ccc(C[C@H]([NH3+])C(=O)[O-])c(F)c1	mol5435	COc1ccc(C[C@H](N)C(=O)O)c(F)c1