pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.1	IUPAC digitized pKa	0	-1	NC(=O)NN=C[C@H]1N=CN=C2N=CN=C21	NC(=O)[N-]N=C[C@H]1N=CN=C2N=CN=C21	mol4909	NC(=O)NN=CC1N=CN=C2N=CN=C21
2.1	IUPAC digitized pKa	3	2	NC(=O)N[NH+]=C[C@H]1N=CN=C2[NH+]=C[NH+]=C21,NC(=O)N[NH+]=C[C@H]1N=C[NH+]=C2[NH+]=CN=C21,NC(=O)NN=C[C@H]1[NH+]=C[NH+]=C2[NH+]=CN=C21,NC(=O)N[NH+]=C[C@H]1[NH+]=C[NH+]=C2N=CN=C21,NC(=O)NN=C[C@H]1N=C[NH+]=C2[NH+]=C[NH+]=C21,NC(=O)N[NH+]=C[C@H]1[NH+]=CN=C2[NH+]=CN=C21,NC(=O)N[NH+]=C[C@H]1[NH+]=CN=C2N=C[NH+]=C21	NC(=O)N[NH+]=C[C@H]1N=CN=C2N=C[NH+]=C21,NC(=O)NN=C[C@H]1[NH+]=CN=C2[NH+]=CN=C21,NC(=O)N[NH+]=C[C@H]1N=CN=C2[NH+]=CN=C21,NC(=O)NN=C[C@H]1[NH+]=CN=C2N=C[NH+]=C21,NC(=O)NN=C[C@H]1N=CN=C2[NH+]=C[NH+]=C21,NC(=O)N[NH+]=C[C@H]1[NH+]=CN=C2N=CN=C21,NC(=O)NN=C[C@H]1[NH+]=C[NH+]=C2N=CN=C21	mol4909	NC(=O)NN=CC1N=CN=C2N=CN=C21