0  B13R0.54  CCCCCCCCC\C=C\C(=O)O 17485 [0,0,0,0,0,0|0,0,2]=2
1  B13R0.54  CCCCCCCCC\C=C\C(=O)O 17492 [0,0,0,0,0,0|0,0,2]=2
2  B12R0.5  CCCCCCCCCCCCBr 3768 [1,0,0,0,0,0|1,0,1]=3
3  B12R0.5  CCCCCCCCCCCCI 3943 [1,0,0,0,0,0|1,0,1]=3
4  B12R0.5  OCCCCCCCCCCCBr 28139 [1,0,0,0,0,0|1,0,1]=3
5  B12R0.234  CCCCCCCCCCB(O)O 26286 [1,0,0,0,0,0|1,0,1]=3
6  B12R0.234  O=C(O)CCCCCCCCCO 25651 [1,0,0,0,0,0|1,0,0]=2
7  B14R0.68  O=C(O)CCCCCCCCCC(=O)O 18095 [0,1,0,0,0,0|1,0,1]=3
8  B14R0.88  CCCCCCCCCCOS(=O)(=O)[O-] 12538 [0,1,0,0,0,0|2,0,1]=4
9  B14R0.88  CCCCCCCCCCOS(C)(=O)=O 35060 [0,1,0,0,0,0|2,0,1]=4
10  B14R0.337  CCCCCCCCCCCC(=O)OC 35228 [0,1,0,0,0,0|0,0,0]=1
11  B11R0.3  BrCCCCCCCCCCBr 3873 [2,0,0,0,0,0|2,0,0]=4
12  B11R0.3  CCCCCCCCCCCBr 3840 [2,0,0,0,0,0|1,0,0]=3
13  B11R0.3  CCCCCCCCCCCO 35937 [2,0,0,0,0,0|0,0,0]=2
14  B11R0.3  ICCCCCCCCCCI 3844 [2,0,0,0,0,0|2,0,0]=4
15  B11R0.3  OCCCCCCCCCCBr 36230 [2,0,0,0,0,0|1,0,0]=3
16  B11R0.148  CCCCCCCCCC(=O)[O-] 29720 [2,0,0,0,0,0|0,0,1]=3
17  B11R0.148  CCCCCCCCC[C@H](C)O 15557 [2,0,0,0,0,0|1,0,1]=4
18  B13R0.336  BrCCCCCCCCCCCCBr 3879 [1,1,0,0,0,0|1,0,1]=4
19  B13R0.336  CCCCCCCCCCCCCO 35600 [1,1,0,0,0,0|0,0,1]=3
20  B13R0.336  OCCCCCCCCCCCCO 45094 [1,1,0,0,0,0|0,0,1]=3
21  B13R0.280  CCCCCCCCCCS(=O)(=O)[O-] 25493 [1,1,0,0,0,0|1,0,1]=4
22  B15R0.252  CCCCCCCCCCCCS(=O)(=O)[O-] 25491 [0,2,0,0,0,0|1,0,1]=4
23  B15R0.222  O=C(O)CCCCCCCCCCC(=O)O 18097 [0,2,0,0,0,0|0,0,1]=3
24  B13R1.279  OC1CCCCCCCCCCC1 32338 [1,0,0,1,0,0|0,0,1]=3