0  B18R0.176  CCCCCCCCCCCCCCCCC(=O)O M19611 [0,0,0,0,0,0|1,0,0]=1
1  B18R0.176  CCCCCCCCCCCCCCSCC(=O)O M28915 [0,0,0,0,0,0|2,0,0]=2
2  B18R0.176  CCCCCC\C=C/CCCCCCCCC(=O)O M21249 [0,0,0,0,0,0|1,0,2]=3
3  B17R0.43  C#CCCCCCCCCCCCCCC(=O)O M25028 [1,0,0,0,0,0|0,0,2]=3
4  B17R0.43  CCCCCCCCCCCCCCCC(=O)O M15079 [1,0,0,0,0,0|0,0,0]=1
5  B17R0.43  CCCCCCCCCCCCCCCC(=O)[O-] M21839 [1,0,0,0,0,0|0,0,1]=2
6  B17R0.43  CCCCCCCCCCCCCCOC(C)=O M28332 [1,0,0,0,0,0|2,0,0]=3
7  B17R0.43  CCCCCC\C=C/CCCCCCCC(=O)O M19746 [1,0,0,0,0,0|0,0,2]=3
8  B17R0.43  CCCCCC\C=C\CCCCCCCC(=O)O M27101 [1,0,0,0,0,0|0,0,2]=3
9  B17R0.117  CCCCCCCCCCCCCCCCCC M21297 [1,0,0,0,0,0|2,0,1]=4
10  B17R0.117  CCCCCCCCCCCCCCCCCO M28151 [1,0,0,0,0,0|1,0,1]=3
11  B19R0.148  CCCCCCCCCCCCCCCCC(=O)OC M29398 [0,1,0,0,0,0|1,0,0]=2
12  B19R0.149  C#CCCCCCCCCCCCCCCCC(=O)O M22565 [0,1,0,0,0,0|1,0,0]=2
13  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)O M17715 [0,1,0,0,0,0|1,0,0]=2
14  B19R0.149  CCCCCCCCCCC\C=C/CCCCC(=O)O M19741 [0,1,0,0,0,0|1,0,1]=3
15  B19R0.149  CCCCCCCC\C=C\CCCCCCCC(=O)O M17830 [0,1,0,0,0,0|1,0,1]=3
16  B19R0.149  CCCCCCCC\C=C\CCCCCCCC(=O)O M19742 [0,1,0,0,0,0|1,0,1]=3
17  B19R0.149  CCCCCC\C=C\CCCCCCCCCC(=O)O M24708 [0,1,0,0,0,0|1,0,1]=3
18  B19R0.443  O=C(O)CCCCCCCCCCCCCCC(=O)O M20041 [0,1,0,0,0,0|0,0,1]=2
19  B16R0.274  CCCCCCCCCCCCCCC(=O)O M21385 [2,0,0,0,0,0|0,0,0]=2
20  B16R0.303  CCCCCCCCCCCCCCCC=O M26567 [2,0,0,0,0,0|0,0,0]=2
21  B16R0.303  CCCCCCCCCCCCCCCCO M18479 [2,0,0,0,0,0|0,0,1]=3
22  B18R0.171  CCCCCCCCCCCCCCCC(=O)OC M17824 [1,1,0,0,0,0|0,0,0]=2
23  B18R0.171  CCCCCCCCC\C=C/CCCCC(=O)O[Na] M26431 [1,1,0,0,0,0|0,0,2]=4
24  B18R0.171  CCCCCC\C=C/CCCCCCCC(=O)OC M21476 [1,1,0,0,0,0|0,0,2]=4
25  B18R0.174  CCCCCCCCCCCCCCC(Br)C(=O)O M28032 [1,1,0,0,0,0|0,0,0]=2
26  B18R0.3137  CCCCCC(O)CCCCCCCCCC(=O)O M27990 [1,1,0,0,0,0|0,0,0]=2
27  B18R0.221  CCCCCCCCCCCCCCCCCC=O M27098 [1,1,0,0,0,0|1,0,0]=3
28  B18R0.221  CCCCCCCCCCCCCCCCCCO M20014 [1,1,0,0,0,0|1,0,1]=4
29  B20R0.31917  O=C(O)CCCCCCC[C@@H](O)[C@@H](O)CCCCCCO M18753 [0,2,0,0,0,0|0,0,0]=2
30  B20R0.3034  CCCCCCCCCCCCCCCCCC(=O)OC M17827 [0,2,0,0,0,0|1,0,0]=3
31  B20R0.3034  CCCCCCCC\C=C\CCCCCCCC(=O)OC M17828 [0,2,0,0,0,0|1,0,1]=4
32  B20R0.3037  CCCCCCCC\C=C/CCCCCCC(O)C(=O)O M26756 [0,2,0,0,0,0|1,0,1]=4
33  B20R0.90  CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)O M21328 [0,2,0,0,0,0|1,0,1]=4
34  B20R0.31940  CCCCCCCCCCCCCCCCCCC(=O)O M21397 [0,2,0,0,0,0|1,0,0]=3
35  B20R0.31940  CCCCCCCC\C=C/CCCCCCCCC(=O)O M21426 [0,2,0,0,0,0|1,0,0]=3