0  B12R1.7  CCCCCCC1CCC(=O)O1 M21350 [0,0,0,0,0,0|0,0,0]=0
1  B11R1.27  CCCCCC1CCC(=O)O1 M23254 [1,0,0,0,0,0|0,0,0]=1
2  B13R1.27  CCCCCCCC1CCC(=O)O1 M23259 [0,1,0,0,0,0|0,0,0]=1
3  B11R0.148  CCCCCCCCCC(=O)O M18432 [0,0,1,0,0,0|0,0,0]=1
4  B11R0.148  CCCCCCCCCC(=O)[O-] M27380 [0,0,1,0,0,0|0,0,1]=2
5  B11R0.148  CCCCCCCCCC(C)=O M21330 [0,0,1,0,0,0|1,0,0]=2
6  B11R0.148  CCCCCCCCCC(C)O M27522 [0,0,1,0,0,0|1,0,1]=3
7  B11R0.148  CCCCCCCCOC(C)=O M20318 [0,0,1,0,0,0|2,0,0]=3
8  B11R0.148  CCCCCCC\C=C/C(=O)O M29617 [0,0,1,0,0,0|0,0,2]=3
9  B11R0.148  CCCCCCC\C=C\C(=O)O M20740 [0,0,1,0,0,0|0,0,2]=3
10  B10R0.4  CCCCCCCCC(=O)O M19549 [1,0,1,0,0,0|0,0,0]=2
11  B10R0.4  NCCCCCCCC(=O)O M21406 [1,0,1,0,0,0|1,0,0]=3
12  B10R0.71  CCCCCCCCCC=O M21351 [1,0,1,0,0,0|0,0,0]=2
13  B10R0.74  CCCCCCCC(=O)OC M29391 [1,0,1,0,0,0|1,0,0]=3
14  B10R0.91  CCCCCC(O)\C=C\C=O M22673 [1,0,1,0,0,0|0,0,2]=4
15  B12R0.234  C=CCCCCCCCCC(=O)O M10437 [0,1,1,0,0,0|0,0,1]=3
16  B12R0.234  C=CCCCCCCCCC(=O)O M15023 [0,1,1,0,0,0|0,0,1]=3
17  B12R0.234  CCCCCCCCCCC(=O)O M20011 [0,1,1,0,0,0|0,0,0]=2
18  B12R0.234  CCCCCCCC\C=C\C(=O)O M27109 [0,1,1,0,0,0|0,0,1]=3
19  B12R0.234  O=C(O)CCCCCCCCCO M18111 [0,1,1,0,0,0|0,0,0]=2
20  B12R0.234  O=C(O)\C=C\CCCCCCCO M18005 [0,1,1,0,0,0|0,0,2]=4
21  B12R0.268  O=C(O)CCCCCCCC(=O)O M10969 [0,1,1,0,0,0|1,0,1]=4
22  B12R0.277  CCOC(=O)CCCCCC(=O)O M26986 [0,1,1,0,0,0|1,0,1]=4
23  B12R1.28  CCCCCC1CCCC(=O)O1 M28334 [0,0,1,1,0,0|0,0,0]=2
24  B10R0.75  CCCCCCC(N)C(=O)O M28713 [0,0,1,0,1,0|2,0,0]=4
25  B10R0.75  CCCCCCC(O)C(=O)O M20871 [0,0,1,0,1,0|2,0,0]=4