pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.22	AttenGpKa training set	1	0	CO[C@@H]1C=C[C@@]23c4cc5c(cc4C[NH+](C[C@H]2O)[C@H]3C1)OCO5	CO[C@@H]1C=C[C@@]23c4cc5c(cc4CN(C[C@H]2O)[C@H]3C1)OCO5	mol29805	CO[C@@H]1C=CC23c4cc5c(cc4C[N@@](C[C@H]2O)C3C1)OCO5