0  B12R0.234  C=CCCCCCCCCC(=O)O MC41958 [0,0,0,0,0,0|0,0,2]=2
1  B12R0.234  O=C(O)\C=C\CCCCCCCO CS13683 [0,0,0,0,0,0|1,0,2]=3
2  B11R0.3  CCCCCCCCNCCN MC106937 [1,0,0,0,0,0|2,0,1]=4
3  B11R0.3  CCCCCCCCOCCO MC437001 [1,0,0,0,0,0|1,0,1]=3
4  B11R0.3  CCCCCOCCOCCO MC436946 [1,0,0,0,0,0|2,0,1]=4
5  B11R0.3  O=CCCCCCCCCCBr MC114611 [1,0,0,0,0,0|1,0,0]=2
6  B11R0.148  CCCCCCC\C=C\C(=O)O MC424008 [1,0,0,0,0,0|0,0,2]=3
7  B11R0.148  COCCOCCOCC(=O)O MC10459 [1,0,0,0,0,0|3,0,0]=4
8  B11R0.148  O=C(O)CCCCCCCCBr CS21300 [1,0,0,0,0,0|1,0,0]=2
9  B13R0.54  O=C(O)CCCCCCCCCCBr MC41865 [0,1,0,0,0,0|0,0,0]=1
10  B13R0.147  CCCCCCC\C=C\CC(=O)CC MC114620 [0,1,0,0,0,0|1,0,2]=4
11  B13R0.280  CCCCCCCCCCS(=O)(=O)[O-] MC445023 [0,1,0,0,0,0|1,0,1]=3
12  B13R1.279  NC1CCCCCCCCCCC1 MC428212 [0,0,0,1,0,0|2,0,1]=4
13  B10R0.71  BrCCCCCCCCCBr CS20559 [2,0,0,0,0,0|2,0,0]=4
14  B10R0.71  C=CCCCCCCCCBr CS20576 [2,0,0,0,0,0|1,0,1]=4
15  B10R0.71  ClCCCCCCCCCCl CS20560 [2,0,0,0,0,0|2,0,0]=4
16  B10R0.4  CCCCCCCCB(O)O MC31112 [2,0,0,0,0,0|1,0,1]=4
17  B12R0.1  CCCCCCCCS(=O)CCO MC437764 [1,1,0,0,0,0|1,0,1]=4
18  B12R0.5  OCCCCCCCCCCCBr MC10312 [1,1,0,0,0,0|0,0,1]=3
19  B12R0.5  OCCCCCCCCCCCO CS15877 [1,1,0,0,0,0|0,0,1]=3
20  B12R0.119  CCCCCCCCCS(=O)(=O)[O-] MC445022 [1,1,0,0,0,0|1,0,1]=4
21  B12R0.184  COC(=O)CCCCCCC(=O)O CS11965 [1,1,0,0,0,0|1,0,1]=4
22  B12R0.251  CCCCCCCCC(N)C(=O)O MC428037 [1,1,0,0,0,0|0,0,0]=2
23  B14R0.68  O=C(O)CCCCCCCCCC(=O)O CS20561 [0,2,0,0,0,0|0,0,1]=3
24  B14R0.337  COC(=O)CCCCCCCCCCBr MC41867 [0,2,0,0,0,0|0,0,0]=2
25  B14R0.394  CCCCCCCCCC\C=C\C(=O)O MC428035 [0,2,0,0,0,0|0,0,0]=2
26  B12R1.255  O=C(O)CCCCC1CCSS1 CS11282 [1,0,0,1,0,0|2,0,0]=4
27  B14R2.54  O=C(O)C1CCCCC12CCNC2 MC104615 [0,0,0,2,0,0|1,0,0]=3