c1cnc2c(c1)ccc1c3c(cnc12)CCC3    mol15131    0_1
c1c[nH+]c2c(c1)ccc1c3c(cnc12)CCC3    mol15131    1_1
c1cnc2c(c1)ccc1c3c(c[nH+]c12)CCC3    mol15131    1_2