pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.2	Baltruschat ChEMBL	2	1	CC1=N[C@@](c2cccc(-c3ccc[nH+]c3)c2)(C2CCCCC2)[NH+]=C1N,CC1=[NH+][C@@](c2cccc(-c3cccnc3)c2)(C2CCCCC2)[NH+]=C1N	CC1=[NH+][C@@](c2cccc(-c3cccnc3)c2)(C2CCCCC2)N=C1N,CC1=N[C@@](c2cccc(-c3cccnc3)c2)(C2CCCCC2)[NH+]=C1N,CC1=N[C@@](c2cccc(-c3ccc[nH+]c3)c2)(C2CCCCC2)N=C1N	mol17085	CC1=NC(c2cccc(-c3cccnc3)c2)(C2CCCCC2)N=C1N