c1cnc2nc[nH]c2c1    mol4685    0_1
c1c[nH+]c2nc[nH]c2c1    mol4685    1_1
c1cnc2[nH+]c[nH]c2c1    mol4685    1_2
c1cnc2nc[n-]c2c1    mol4685    -1_1