pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.98	Baltruschat ChEMBL	1	0	CC[C@@H](C[C@H]1COC(N)=[NH+]1)c1ccccc1	CC[C@@H](C[C@H]1COC(N)=N1)c1ccccc1	mol16155	CC[C@@H](C[C@H]1COC(N)=N1)c1ccccc1