0  B13R0.336  CCCCCCCCCC\C=C\C=O 793 [0,1,0,0,0,0|0,0,3]=4
1  B12R0.234  CCCCCCCCCOC(=O)C 771 [1,1,0,0,0,0|1,0,1]=4
2  B14R2.11638  C1CC[N+]2(C(C1)CCCC2CO)[O-] 1316 [0,0,0,2,0,0|2,0,0]=4