pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.99	IUPAC digitized pKa	1	0	COC(=O)c1cc(C(=O)OC)c(C(=O)OC)[nH+]c1C(=O)OC	COC(=O)c1cc(C(=O)OC)c(C(=O)OC)nc1C(=O)OC	mol6580	COC(=O)c1cc(C(=O)OC)c(C(=O)OC)nc1C(=O)OC
1.99000000953674	QSARToolbox	1	0	COC(=O)c1cc(C(=O)OC)c(C(=O)OC)[nH+]c1C(=O)OC	COC(=O)c1cc(C(=O)OC)c(C(=O)OC)nc1C(=O)OC	mol6580	COC(=O)c1cc(C(=O)OC)c(C(=O)OC)nc1C(=O)OC