pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.96	OCHEM	1	0	CCOC(=O)c1cc(C(=O)OCC)c(C)[nH+]c1C	CCOC(=O)c1cc(C(=O)OCC)c(C)nc1C	mol6440	CCOC(=O)c1cc(C(=O)OCC)c(C)nc1C
2.96000003814697	QSARToolbox	1	0	CCOC(=O)c1cc(C(=O)OCC)c(C)[nH+]c1C	CCOC(=O)c1cc(C(=O)OCC)c(C)nc1C	mol6440	CCOC(=O)c1cc(C(=O)OCC)c(C)nc1C