0  B19R0.182  CCCCCCCCCCCCC\C=C\C(=O)OCC RT0269 [0,0,0,0,0,0|0,0,2]=2
1  B18R0.171  CCCCCCCCCCCCCCCC(=O)NN JZ2075 [1,0,0,0,0,0|2,0,0]=3
2  B18R0.171  CCCCCC\C=C/CCCCCCCC(=O)OC XJ1600 [1,0,0,0,0,0|0,0,2]=3
3  B18R0.171  CCCCCC\C=C\CCCCCCCC(=O)OC LQ3375 [1,0,0,0,0,0|0,0,2]=3
4  B18R0.221  CCCCCCCCCCCCCCCCCCBr HL1421 [1,0,0,0,0,0|2,0,1]=4
5  B18R0.221  CCCCCCCCCCCCCCCCCCCl HL2525 [1,0,0,0,0,0|2,0,1]=4
6  B18R0.221  CCCCCCCCCCCCCCCCCCN HL2016 [1,0,0,0,0,0|2,0,1]=4
7  B18R0.221  CCCCCCCCCCCCCCCCCCO HL1423 [1,0,0,0,0,0|2,0,1]=4
8  B18R0.221  CCCCCCCCCCCCCCCCCCO LL1160 [1,0,0,0,0,0|2,0,1]=4
9  B18R0.221  CCCCCCCCCNCCCCCCCCC RT1459 [1,0,0,0,0,0|2,0,1]=4
10  B18R0.221  CCCCCCCCCSCCCCCCCCC LQ1540 [1,0,0,0,0,0|2,0,1]=4
11  B20R0.2931  CCCCCCCCCCCCCCCC(=O)NC(C)C HL3798 [0,1,0,0,0,0|1,0,0]=2
12  B17R0.117  CCCCCCCCCCCCCCCCCBr RT13895 [2,0,0,0,0,0|1,0,1]=4
13  B17R0.117  CCCCCCCCCCCCCCCCCC LQ1079 [2,0,0,0,0,0|0,0,1]=3
14  B17R0.195  CCCCCCCCCCCCCOC(=O)CN RT18268 [2,0,0,0,0,0|2,0,0]=4
15  B17R0.250  CCCCCCCCCCCCCC(=O)CCC LQ5286 [2,0,0,0,0,0|1,0,0]=3
16  B17R0.43  CCCCCCCCCCCCCCCC(=O)O LQ0011 [2,0,0,0,0,0|0,0,0]=2
17  B17R0.43  CCCCCCCCCCCCCCCC(=O)[O-] LL0752 [2,0,0,0,0,0|0,0,1]=3
18  B17R0.43  CCCCCCCCCCCCCCCC(C)=O RT1300 [2,0,0,0,0,0|0,0,0]=2
19  B17R0.43  CCCCCCCCCCCCCCCC(O)=S RT14028 [2,0,0,0,0,0|0,1,0]=3
20  B17R0.43  CCCCCCCCCCCCCCOC(C)=O JZ4069 [2,0,0,0,0,0|1,0,0]=3
21  B17R0.43  CCCCCC\C=C/CCCCCCCC(=O)O XJ0716 [2,0,0,0,0,0|0,0,2]=4
22  B17R0.43  O=C(O)CCCCCCCCCCCCCCO LQ2698 [2,0,0,0,0,0|1,0,0]=3
23  B19R0.25  CCOC(=O)CCCCCCCCCCC(=O)OCC RT0234 [1,1,0,0,0,0|1,0,1]=4
24  B19R0.3096  CCCCCCCCCCCCCC(O)CC(=O)OC RT13902 [1,1,0,0,0,0|0,0,0]=2
25  B19R0.36  CCCCCCCCCCCCCCCCCCCC HL1424 [1,1,0,0,0,0|1,0,1]=4
26  B19R0.36  CCCCCCCCCCCCCCCCCCNC RT1439 [1,1,0,0,0,0|1,0,1]=4
27  B21R0.2907  C=COC(=O)CCCCCCCCCCCCCCCCC XJ0403 [0,2,0,0,0,0|0,0,2]=4
28  B21R0.2907  CCCCCCCCCCCCCCCCCC(=O)NCO HL2512 [0,2,0,0,0,0|2,0,0]=4
29  B21R0.2907  CCCCCCCC\C=C/CCCCCCCC(=O)OCC XJ0402 [0,2,0,0,0,0|0,0,0]=2