pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.7	IUPAC digitized pKa	0	-1	COC(=O)Cc1nc2ccccc2[nH]1	COC(=O)Cc1nc2ccccc2[n-]1	mol4522	COC(=O)Cc1nc2ccccc2[nH]1
4.6	IUPAC digitized pKa	1	0	COC(=O)Cc1[nH]c2ccccc2[nH+]1	COC(=O)Cc1nc2ccccc2[nH]1	mol4522	COC(=O)Cc1nc2ccccc2[nH]1