0  B12R0.234  CC#CCCCCCCCC(=O)O 102853 [0,0,0,0,0,0|0,0,2]=2
1  B12R0.234  N#CCCCCCCCCC(=O)O 102134 [0,0,0,0,0,0|1,0,1]=2
2  B11R0.3  C\C=C\CCCCCCCCO 102450 [1,0,0,0,0,0|0,0,3]=4
3  B11R0.148  C=CCCCCCCCC(=O)O 102318 [1,0,0,0,0,0|0,0,2]=3
4  B11R0.148  CCCCCCC\C=C\C(=O)O 16791 [1,0,0,0,0,0|0,0,2]=3
5  B13R0.54  C=CCCCCCCCCOC(C)=O 102451 [0,1,0,0,0,0|1,0,2]=4
6  B13R0.54  N#CCCCCCCCCCC(=O)O 102145 [0,1,0,0,0,0|0,0,1]=2
7  B13R0.147  CC#CCCCCCCCC(=O)OC 102445 [0,1,0,0,0,0|0,0,2]=3
8  B13R0.147  C\C=C\CCCCCCCC(=O)OC 102442 [0,1,0,0,0,0|0,0,2]=3
9  B13R0.202  O=C(O)CCCCCCCC(F)CBr 102124 [0,1,0,0,0,0|1,0,0]=2
10  B13R1.1107  O=C(O)CN1CCNCCNCC1 21699 [0,0,0,1,0,0|3,0,0]=4
11  B10R0.71  CCCCCCCC#CCO 19498 [2,0,0,0,0,0|0,0,2]=4
12  B10R0.71  CCCCCC\C=C\CCO 102648 [2,0,0,0,0,0|0,0,2]=4
13  B10R0.71  N#CCCCCCCCCO 102452 [2,0,0,0,0,0|1,0,1]=4
14  B12R0.268  C=C(F)CCCCCCCC(=O)O 102328 [1,1,0,0,0,0|0,0,2]=4
15  B14R0.68  C=C(F)CCCCCCCCCC(=O)O 102327 [0,2,0,0,0,0|0,0,1]=3
16  B14R0.337  CCCCCCCCCCCC(=O)OC 20752 [0,2,0,0,0,0|0,0,0]=2
17  B14R0.344  CCCCCCCCC(O)C#CC(=O)O 839 [0,2,0,0,0,0|0,0,1]=3
18  B14R0.394  C\C=C\CCCCCCCCOC(C)=O 102446 [0,2,0,0,0,0|1,0,1]=4
19  B14R0.394  N#CCCCCCCCCCCC(=O)O 102143 [0,2,0,0,0,0|0,0,0]=2
20  B14R1.814  [C@H]1(CC(=O)O)CCCC[C@@H]1CC(=O)O 18370 [0,1,0,1,0,0|1,0,1]=4