pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.6800000667572	QSARToolbox	2	1	C1=NC=[NH+][C@H]2[NH+]=C(c3ccccc3)N=C12,C1=NC=[NH+][C@H]2N=C(c3ccccc3)[NH+]=C12,C1=[NH+]C=[NH+][C@H]2N=C(c3ccccc3)N=C12,C1=N[C@H]2[NH+]=C(c3ccccc3)N=C2C=[NH+]1	C1=NC=N[C@H]2[NH+]=C(c3ccccc3)N=C12,C1=N[C@H]2N=C(c3ccccc3)N=C2C=[NH+]1,C1=NC=[NH+][C@H]2N=C(c3ccccc3)N=C12,C1=NC=N[C@H]2N=C(c3ccccc3)[NH+]=C12	mol38010	C1=NC=NC2N=C(c3ccccc3)N=C12