0  B12R0.5  CCCCCCCCCCCCBr 3768 [0,0,0,0,0,0|1,0,0]=1
1  B12R0.5  CCCCCCCCCCCCI 3943 [0,0,0,0,0,0|1,0,0]=1
2  B12R0.5  OCCCCCCCCCCCBr 28139 [0,0,0,0,0,0|1,0,0]=1
3  B12R0.5  OCCOCCOCCOCCO 21600 [0,0,0,0,0,0|4,0,0]=4
4  B12R0.5  OCCOCCOCCOCCO 32294 [0,0,0,0,0,0|4,0,0]=4
5  B11R0.3  BrCCCCCCCCCCBr 3873 [1,0,0,0,0,0|2,0,0]=3
6  B11R0.3  CCCCCCCCCCCBr 3840 [1,0,0,0,0,0|1,0,0]=2
7  B11R0.3  CCCCCCCCCCCO 35937 [1,0,0,0,0,0|0,0,0]=1
8  B11R0.3  ICCCCCCCCCCI 3844 [1,0,0,0,0,0|2,0,0]=3
9  B11R0.3  OCCCCCCCCCCBr 36230 [1,0,0,0,0,0|1,0,0]=2
10  B13R0.54  CCCCCCCCC\C=C\C(=O)O 17485 [0,1,0,0,0,0|0,0,3]=4
11  B13R0.54  CCCCCCCCC\C=C\C(=O)O 17492 [0,1,0,0,0,0|0,0,3]=4
12  B13R0.336  BrCCCCCCCCCCCCBr 3879 [0,1,0,0,0,0|1,0,0]=2
13  B13R0.336  CCCCCCCCCCCCCO 35600 [0,1,0,0,0,0|0,0,0]=1
14  B13R0.336  OCCCCCCCCCCCCO 45094 [0,1,0,0,0,0|0,0,0]=1
15  B13R1.279  OC1CCCCCCCCCCC1 32338 [0,0,0,1,0,0|0,0,0]=1
16  B10R0.71  BrCCCCCCCCCBr 3900 [2,0,0,0,0,0|2,0,0]=4
17  B10R0.71  CCCCCCC#CCCO 13074 [2,0,0,0,0,0|0,0,2]=4
18  B10R0.71  CCCCCCCC#CCO 11035 [2,0,0,0,0,0|0,0,2]=4
19  B10R0.71  CCCCCCCCCCBr 2457 [2,0,0,0,0,0|1,0,0]=3
20  B10R0.71  CCCCCCCCCCI 3942 [2,0,0,0,0,0|1,0,0]=3
21  B10R0.71  CCCCOCCOCCO 12838 [2,0,0,0,0,0|2,0,0]=4
22  B10R0.71  ICCCCCCCCCI 3850 [2,0,0,0,0,0|2,0,0]=4
23  B10R0.71  OCCCCCCCCCBr 23429 [2,0,0,0,0,0|1,0,0]=3
24  B12R0.234  CCCCCCCCCCB(O)O 26286 [1,1,0,0,0,0|1,0,0]=3
25  B12R0.234  O=C(O)CCCCCCCCCO 25651 [1,1,0,0,0,0|1,0,1]=4
26  B12R0.248  COC(=O)CCCCCCCCO 18968 [1,1,0,0,0,0|1,0,1]=4
27  B12R0.248  OCCCCCCCCC(O)CO 32259 [1,1,0,0,0,0|1,0,0]=3
28  B14R0.393  CCCCCCCCCCC(=O)OCC 26627 [0,2,0,0,0,0|1,0,1]=4
29  B14R0.337  CCCCCCCCCCCC(=O)OC 35228 [0,2,0,0,0,0|0,0,1]=3
30  B14R0.392  CCCCCCCCCCCCCCO 27404 [0,2,0,0,0,0|0,0,0]=2
31  B14R0.392  CCCCOCCOCCOCCCC 23848 [0,2,0,0,0,0|2,0,0]=4
32  B14R1.40  CCCCCCCCCC1OCCO1 31816 [0,1,0,1,0,0|0,0,0]=2