pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.82	AttenGpKa training set	1	0	CCOC(=O)C[C@H](C(=O)OCC)n1c[nH+]c(C)c1C	CCOC(=O)C[C@H](C(=O)OCC)n1cnc(C)c1C	mol25591	CCOC(=O)CC(C(=O)OCC)n1cnc(C)c1C