0  B12R0.234  CCCCCCCCCCB(O)O 26286 [0,0,0,0,0,0|1,0,1]=2
1  B12R0.234  O=C(O)CCCCCCCCCO 25651 [0,0,0,0,0,0|1,0,0]=1
2  B11R0.3  BrCCCCCCCCCCBr 3873 [1,0,0,0,0,0|2,0,1]=4
3  B11R0.3  CCCCCCCCCCCBr 3840 [1,0,0,0,0,0|1,0,1]=3
4  B11R0.3  CCCCCCCCCCCO 35937 [1,0,0,0,0,0|0,0,1]=2
5  B11R0.3  ICCCCCCCCCCI 3844 [1,0,0,0,0,0|2,0,1]=4
6  B11R0.3  OCCCCCCCCCCBr 36230 [1,0,0,0,0,0|1,0,1]=3
7  B11R0.148  CCCCCCCCCC(=O)[O-] 29720 [1,0,0,0,0,0|0,0,1]=2
8  B11R0.148  CCCCCCCCC[C@H](C)O 15557 [1,0,0,0,0,0|1,0,1]=3
9  B11R0.148  COCCOCCOCC(=O)O 31987 [1,0,0,0,0,0|3,0,0]=4
10  B13R0.54  CCCCCCCCC\C=C\C(=O)O 17485 [0,1,0,0,0,0|0,0,1]=2
11  B13R0.54  CCCCCCCCC\C=C\C(=O)O 17492 [0,1,0,0,0,0|0,0,1]=2
12  B13R0.280  CCCCCCCCCCS(=O)(=O)[O-] 25493 [0,1,0,0,0,0|1,0,1]=3
13  B13R1.279  OC1CCCCCCCCCCC1 32338 [0,0,0,1,0,0|1,0,1]=3
14  B10R0.71  BrCCCCCCCCCBr 3900 [2,0,0,0,0,0|2,0,0]=4
15  B10R0.71  CCCCCCC#CCCO 13074 [2,0,0,0,0,0|0,0,2]=4
16  B10R0.71  CCCCCCCC#CCO 11035 [2,0,0,0,0,0|0,0,2]=4
17  B10R0.71  CCCCCCCCCCBr 2457 [2,0,0,0,0,0|1,0,0]=3
18  B10R0.71  CCCCCCCCCCI 3942 [2,0,0,0,0,0|1,0,0]=3
19  B10R0.71  CCCCOCCOCCO 12838 [2,0,0,0,0,0|2,0,0]=4
20  B10R0.71  ICCCCCCCCCI 3850 [2,0,0,0,0,0|2,0,0]=4
21  B10R0.71  OCCCCCCCCCBr 23429 [2,0,0,0,0,0|1,0,0]=3
22  B10R0.4  C=CCCCCCCC(=O)O 27146 [2,0,0,0,0,0|0,0,2]=4
23  B10R0.4  CCCCCCCCB(O)O 29487 [2,0,0,0,0,0|1,0,1]=4
24  B10R0.4  NCCCCCCCC(=O)O 13165 [2,0,0,0,0,0|1,0,0]=3
25  B12R0.5  CCCCCCCCCCCCBr 3768 [1,1,0,0,0,0|1,0,1]=4
26  B12R0.5  CCCCCCCCCCCCI 3943 [1,1,0,0,0,0|1,0,1]=4
27  B12R0.5  OCCCCCCCCCCCBr 28139 [1,1,0,0,0,0|0,0,1]=3
28  B12R0.248  OCCCCCCCCC(O)CO 32259 [1,1,0,0,0,0|1,0,1]=4
29  B12R0.4  CCCCCCCC(O)CC(=O)O 35410 [1,1,0,0,0,0|0,0,0]=2
30  B14R0.68  O=C(O)CCCCCCCCCC(=O)O 18095 [0,2,0,0,0,0|0,0,1]=3
31  B14R0.88  CCCCCCCCCCOS(=O)(=O)[O-] 12538 [0,2,0,0,0,0|1,0,1]=4
32  B14R0.88  CCCCCCCCCCOS(C)(=O)=O 35060 [0,2,0,0,0,0|1,0,1]=4
33  B14R0.337  CCCCCCCCCCCC(=O)OC 35228 [0,2,0,0,0,0|0,0,0]=2
34  B14R0.393  CCCCCCCCCCC(=O)OCC 26627 [0,2,0,0,0,0|0,0,0]=2
35  B12R1.18  NCCCN1CCCCCC1=O 36000 [1,0,0,1,0,0|2,0,0]=4
36  B12R1.252  O=C(O)CCCC1CCCCC1 15521 [1,0,0,1,0,0|0,0,0]=2
37  B12R1.255  O=C(O)CCCCC1CCSS1 14559 [1,0,0,1,0,0|2,0,0]=4
38  B12R1.255  O=C(O)CCCCC1CCSS1 6068 [1,0,0,1,0,0|2,0,0]=4