0  B16R0.274  CCCCCCCCCCCCCCC(=O)O M21385 [0,0,0,0,0,0|0,0,0]=0
1  B15R0.70  CCCCCCCCCCCCCCCO M29405 [1,0,0,0,0,0|0,0,1]=2
2  B15R0.164  C#CCCCCCCCCCCCC(=O)O M26602 [1,0,0,0,0,0|0,0,2]=3
3  B15R0.164  CCCCCCCCCCCCCC(=O)O M18773 [1,0,0,0,0,0|0,0,0]=1
4  B15R0.164  CCCCCCCCCCCCCC(=O)[O-] M17286 [1,0,0,0,0,0|0,0,1]=2
5  B15R0.164  CCCCCCCCCCCCCC(C)=O M29545 [1,0,0,0,0,0|1,0,0]=2
6  B15R0.164  CCCC\C=C/CCCCCCCC(=O)O M28356 [1,0,0,0,0,0|0,0,2]=3
7  B17R0.43  C#CCCCCCCCCCCCCCC(=O)O M25028 [0,1,0,0,0,0|0,0,1]=2
8  B17R0.43  CCCCCCCCCCCCCCCC(=O)O M15079 [0,1,0,0,0,0|0,0,0]=1
9  B17R0.43  CCCCCCCCCCCCCCCC(=O)[O-] M21839 [0,1,0,0,0,0|0,0,1]=2
10  B17R0.43  CCCCCCCCCCCCCCOC(C)=O M28332 [0,1,0,0,0,0|1,0,0]=2
11  B17R0.43  CCCCCC\C=C/CCCCCCCC(=O)O M19746 [0,1,0,0,0,0|0,0,1]=2
12  B17R0.43  CCCCCC\C=C\CCCCCCCC(=O)O M27101 [0,1,0,0,0,0|0,0,1]=2
13  B17R0.195  CCCCCCCCCCCCCCC(=O)OC M29410 [0,1,0,0,0,0|0,0,0]=1
14  B17R0.197  CCCCCCCCCCCCCCP(=O)(O)O M20962 [0,1,0,0,0,0|1,0,0]=2
15  B17R0.197  CCCCCCCCCCCCCC[N+](C)(C)C M27656 [0,1,0,0,0,0|3,0,0]=4
16  B17R0.1713  O=C(O)CCCCCCCCCCCCC(=O)O M20294 [0,1,0,0,0,0|1,0,1]=3
17  B17R1.11267  CC1CCCCCCCCCCCCC(=O)C1 M17534 [0,0,0,1,0,0|1,0,0]=2
18  B17R1.11298  O=C1CCCCCCCCCCCCCCO1 M28606 [0,0,0,1,0,0|0,0,0]=1
19  B14R0.392  CCCCCCCCCCCCCCC M24631 [2,0,0,0,0,0|0,0,1]=3
20  B14R0.392  CCCCCCCCCCCCCCO M29413 [2,0,0,0,0,0|0,0,0]=2
21  B14R0.394  CCCCCCCCCCCCC(=O)O M20012 [2,0,0,0,0,0|0,0,0]=2
22  B14R0.394  O=C(O)CCCCCCCCCCCO M19613 [2,0,0,0,0,0|1,0,0]=3
23  B16R0.303  CCCCCCCCCCCCCCCC=O M26567 [1,1,0,0,0,0|0,0,0]=2
24  B16R0.303  CCCCCCCCCCCCCCCCO M18479 [1,1,0,0,0,0|0,0,1]=3
25  B16R0.3288  O=C(O)CCCCCCCCCCCC(=O)O M20059 [1,1,0,0,0,0|1,0,1]=4
26  B18R0.171  CCCCCCCCCCCCCCCC(=O)OC M17824 [0,2,0,0,0,0|0,0,0]=2
27  B18R0.171  CCCCCCCCC\C=C/CCCCC(=O)O[Na] M26431 [0,2,0,0,0,0|0,0,1]=3
28  B18R0.171  CCCCCC\C=C/CCCCCCCC(=O)OC M21476 [0,2,0,0,0,0|0,0,1]=3
29  B18R0.174  CCCCCCCCCCCCCCC(Br)C(=O)O M28032 [0,2,0,0,0,0|0,0,0]=2
30  B18R0.176  CCCCCCCCCCCCCCCCC(=O)O M19611 [0,2,0,0,0,0|0,0,0]=2
31  B18R0.176  CCCCCCCCCCCCCCSCC(=O)O M28915 [0,2,0,0,0,0|0,0,0]=2
32  B18R0.176  CCCCCC\C=C/CCCCCCCCC(=O)O M21249 [0,2,0,0,0,0|0,0,0]=2
33  B18R0.182  CCCCCCCCCCCCCCOS(=O)(=O)[O-] M28806 [0,2,0,0,0,0|1,0,1]=4
34  B18R0.3137  CCCCCC(O)CCCCCCCCCC(=O)O M27990 [0,2,0,0,0,0|0,0,0]=2
35  B16R1.8816  O=C1CCCCCCCCCCCCCC1 M21281 [1,0,0,1,0,0|0,0,0]=2