pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.8	IUPAC digitized pKa	1	0	COC(=O)c1ccc2[nH+]cccc2c1	COC(=O)c1ccc2ncccc2c1	mol4448	COC(=O)c1ccc2ncccc2c1
3.79999995231628	QSARToolbox	1	0	COC(=O)c1ccc2[nH+]cccc2c1	COC(=O)c1ccc2ncccc2c1	mol4448	COC(=O)c1ccc2ncccc2c1