0  B11R0.3  C=CCCCCCCCCCO M27520 [0,0,0,0,0,0|2,0,0]=2
1  B11R0.3  CCCCCCCCCCCO M20876 [0,0,0,0,0,0|0,0,2]=2
2  B10R0.71  CCCCCCCCCC=O M21351 [1,0,0,0,0,0|0,0,0]=1
3  B12R0.5  CCCCCCCCCCCCC M29326 [0,1,0,0,0,0|1,0,1]=3
4  B12R0.5  CCCCCCCCCCCCO M28730 [0,1,0,0,0,0|0,0,2]=3
5  B12R0.234  C=CCCCCCCCCC(=O)O M10437 [0,1,0,0,0,0|0,0,2]=3
6  B12R0.234  C=CCCCCCCCCC(=O)O M15023 [0,1,0,0,0,0|0,0,2]=3
7  B12R0.234  CC(=O)NCCCCNCCCN M27096 [0,1,0,0,0,0|3,0,0]=4
8  B12R0.234  CCCCCCCCCCC(=O)O M20011 [0,1,0,0,0,0|0,0,0]=1
9  B12R0.234  CCCCCCCC\C=C\C(=O)O M27109 [0,1,0,0,0,0|0,0,2]=3
10  B12R0.234  O=C(O)CCCCCCCCCO M18111 [0,1,0,0,0,0|1,0,0]=2
11  B12R0.234  O=C(O)\C=C\CCCCCCCO M18005 [0,1,0,0,0,0|1,0,2]=4
12  B11R0.148  CCCCCCCCCC(=O)O M18432 [1,1,0,0,0,0|0,0,0]=2
13  B11R0.148  CCCCCCCCCC(=O)[O-] M27380 [1,1,0,0,0,0|0,0,0]=2
14  B11R0.148  CCCCCCCCCC(C)=O M21330 [1,1,0,0,0,0|0,0,0]=2
15  B11R0.148  CCCCCCCCCC(C)O M27522 [1,1,0,0,0,0|0,0,1]=3
16  B11R0.148  CCCCCCCCOC(C)=O M20318 [1,1,0,0,0,0|1,0,0]=3
17  B11R0.148  CCCCCCC\C=C/C(=O)O M29617 [1,1,0,0,0,0|0,0,2]=4
18  B11R0.148  CCCCCCC\C=C\C(=O)O M20740 [1,1,0,0,0,0|0,0,2]=4
19  B13R0.54  CCCCCCCCCCCC(=O)O M18014 [0,2,0,0,0,0|0,0,0]=2
20  B13R0.54  CCCCCCCCCCCC(C)=O M28719 [0,2,0,0,0,0|0,0,0]=2
21  B13R0.54  CCCCCC\C=C/CCCC(=O)O M21240 [0,2,0,0,0,0|0,0,1]=3
22  B13R0.54  NCCCCCCCCCCC(=O)O M26872 [0,2,0,0,0,0|0,0,0]=2
23  B13R0.147  C=CCCCCCCCCC(=O)OC M23314 [0,2,0,0,0,0|0,0,2]=4
24  B13R0.147  CCCCCCCCCCC(=O)OC M28722 [0,2,0,0,0,0|0,0,0]=2
25  B13R0.336  C=CCNCCCCCCCCCC M28036 [0,2,0,0,0,0|1,0,0]=3
26  B13R0.179  O=C(O)CCCCCCCCC(=O)O M17820 [0,2,0,0,0,0|1,0,1]=4
27  B11R1.28  NCCCNC1CCCCC1 M28059 [1,0,0,1,0,0|2,0,0]=4
28  B13R1.27  CCCCCCCC1CCC(=O)O1 M23259 [0,1,0,1,0,0|0,0,0]=2