pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.4	Baltruschat ChEMBL	1	0	C[C@@]12COCC[C@H]1Oc1ccc(-c3cccnc3F)cc1[C@@]21COC(N)=[NH+]1,C[C@@]12COCC[C@H]1Oc1ccc(-c3ccc[nH+]c3F)cc1[C@@]21COC(N)=N1	C[C@@]12COCC[C@H]1Oc1ccc(-c3cccnc3F)cc1[C@@]21COC(N)=N1	mol21544	C[C@@]12COCC[C@H]1Oc1ccc(-c3cccnc3F)cc1[C@@]21COC(N)=N1