pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.18	AttenGpKa training set	1	0	COc1ccc(OC)c([C@H](O)[C@H](C)[NH3+])c1	COc1ccc(OC)c([C@H](O)[C@H](C)N)c1	mol24312	COc1ccc(OC)c(C(O)C(C)N)c1