pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.4	Baltruschat ChEMBL	2	1	C[C@]1(c2cccc(-c3cccnc3)c2)[NH+]=C(N)C(c2ccccc2)=[NH+]1,C[C@]1(c2cccc(-c3ccc[nH+]c3)c2)N=C(N)C(c2ccccc2)=[NH+]1,C[C@@]1(c2cccc(-c3ccc[nH+]c3)c2)N=C(c2ccccc2)C(N)=[NH+]1	C[C@@]1(c2cccc(-c3cccnc3)c2)N=C(c2ccccc2)C(N)=[NH+]1,C[C@]1(c2cccc(-c3ccc[nH+]c3)c2)N=C(N)C(c2ccccc2)=N1,C[C@]1(c2cccc(-c3cccnc3)c2)N=C(N)C(c2ccccc2)=[NH+]1	mol17097	CC1(c2cccc(-c3cccnc3)c2)N=C(N)C(c2ccccc2)=N1