pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.2	Baltruschat ChEMBL	1	0	NC1=N[C@](c2cc[nH+]cc2)(c2cccc(-c3cncnc3)c2)c2cccc(F)c21,NC1=[NH+][C@](c2ccncc2)(c2cccc(-c3cncnc3)c2)c2cccc(F)c21,NC1=N[C@](c2ccncc2)(c2cccc(-c3cnc[nH+]c3)c2)c2cccc(F)c21	NC1=N[C@](c2ccncc2)(c2cccc(-c3cncnc3)c2)c2cccc(F)c21	mol19688	NC1=N[C@](c2ccncc2)(c2cccc(-c3cncnc3)c2)c2cccc(F)c21