0  B13R0.54  CCCCCCCCC\C=C\C(=O)O 17485 [0,0,0,0,0,0|2,0,1]=3
1  B13R0.54  CCCCCCCCC\C=C\C(=O)O 17492 [0,0,0,0,0,0|2,0,1]=3
2  B12R0.5  CCCCCCCCCCCCBr 3768 [1,0,0,0,0,0|2,0,1]=4
3  B12R0.5  CCCCCCCCCCCCI 3943 [1,0,0,0,0,0|2,0,1]=4
4  B12R0.234  CCCCCCCCCCB(O)O 26286 [1,0,0,0,0,0|2,0,1]=4
5  B12R0.234  O=C(O)CCCCCCCCCO 25651 [1,0,0,0,0,0|2,0,0]=3
6  B14R0.88  CCCCCCCCCCOS(=O)(=O)[O-] 12538 [0,1,0,0,0,0|2,0,0]=3
7  B14R0.88  CCCCCCCCCCOS(C)(=O)=O 35060 [0,1,0,0,0,0|1,0,0]=2
8  B14R0.337  CCCCCCCCCCCC(=O)OC 35228 [0,1,0,0,0,0|1,0,0]=2
9  B11R0.3  CCCCCCCCCCCBr 3840 [2,0,0,0,0,0|1,0,1]=4
10  B11R0.3  CCCCCCCCCCCO 35937 [2,0,0,0,0,0|0,0,2]=4
11  B11R0.148  CCCCCCCCCC(=O)[O-] 29720 [2,0,0,0,0,0|1,0,0]=3
12  B11R0.148  CCCCCCCCC[C@H](C)O 15557 [2,0,0,0,0,0|0,0,2]=4
13  B13R0.336  CCCCCCCCCCCCCO 35600 [1,1,0,0,0,0|1,0,1]=4
14  B13R0.280  CCCCCCCCCCS(=O)(=O)[O-] 25493 [1,1,0,0,0,0|2,0,0]=4