0  B19R0.149  CCCCCCCC\C=C/CCCCCCCC(=O)O F20743 [0,0,0,0,0,0|0,0,0]=0
1  B19R0.149  CCCCCCCC\C=C/CCCCCCCC(=O)[O-] F20737 [0,0,0,0,0,0|0,0,1]=1
2  B19R0.149  CCCCC\C=C/C\C=C/CCCCCCCC(=O)Cl T72900 [0,0,0,0,0,0|1,0,2]=3
3  B19R0.149  O=C(O)CCCCCCCCCCCCCCCCBr A10388 [0,0,0,0,0,0|1,0,2]=3
4  B19R0.149  O=C(O)CCCCCCCCCCCCCCCCI A10390 [0,0,0,0,0,0|1,0,2]=3
5  B18R0.176  C=CCCCCCCCCCCCCCCC(=O)O A10392 [1,0,0,0,0,0|0,0,3]=4
6  B18R0.221  CCCCCCCC\C=C\CCCCCCCCO T72539 [1,0,0,0,0,0|0,0,1]=2
7  B20R0.90  [2H][C@@H](CCCCCC)CCCCCCCCCCC(=O)O D98985 [0,1,0,0,0,0|0,0,2]=3
8  B20R0.3034  CCCCC\C=C\C\C=C\CCCCCCCC(=O)OC T72179 [0,1,0,0,0,0|0,0,2]=3
9  B20R0.3034  COC(=O)CCCCCCCCCCCCCCCCBr A10389 [0,1,0,0,0,0|1,0,2]=4
10  B20R0.26099  O=C(O)CCCCCCCCCCCCCC[C@H](Cl)CCl A10394 [0,1,0,0,0,0|1,0,2]=4
11  B17R0.43  CCCCCCCCCCCCCC[13CH2]C(=O)O D98230 [2,0,0,0,0,0|0,0,0]=2
12  B17R0.43  CCCCCCCCCCCCCC[13CH2][13C](=O)O D98229 [2,0,0,0,0,0|0,0,0]=2
13  B19R0.148  COC(=O)CCCCCCCCCCCCCCCBr A10391 [1,1,0,0,0,0|1,0,1]=4
14  B19R0.148  COC(=O)CCCCCCCCCCCCCCCO D85272 [1,1,0,0,0,0|1,0,1]=4
15  B19R0.36  CCCCCCCCCCCCCCCCCCC=O H11226 [1,1,0,0,0,0|0,0,2]=4
16  B21R0.9111  CCCCCCCCC(Br)C(Br)CCCCCCCC(=O)O A10756 [0,2,0,0,0,0|0,0,2]=4
17  B21R0.21192  CCCCCC[C@H](O)C\C=C/CCCCCCCC(=O)OC A11348 [0,2,0,0,0,0|0,0,0]=2
18  B21R0.37123  [2H]C([2H])(CCCCCCCCCCCCCCCC)C(=O)O D98946 [0,2,0,0,0,0|0,0,2]=4
19  B21R0.81  CCCCCCCCCCCCCCCCCCC[13C](=O)O D99297 [0,2,0,0,0,0|0,0,2]=4
20  B21R0.9014  O=C(O)CCCCCCC\C=C\CCCCCCCC(=O)O C15815 [0,2,0,0,0,0|0,0,1]=3