0  B11R0.3  C=CCCCCCCCCCO M27520 [0,0,0,0,0,0|0,0,0]=0
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|1,0,0]=2
3  B12R0.5  CCCCCCCCCCCCC M29326 [0,1,0,0,0,0|1,0,2]=4
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|0,0,1]=2
6  B12R0.234  C=CCCCCCCCCC(=O)O M15023 [0,1,0,0,0,0|0,0,1]=2
7  B12R0.234  CCCCCCCCCCC(=O)O M20011 [0,1,0,0,0,0|2,0,0]=3
8  B12R0.234  O=C(O)CCCCCCCCCO M18111 [0,1,0,0,0,0|1,0,0]=2
9  B12R0.234  O=C(O)\C=C\CCCCCCCO M18005 [0,1,0,0,0,0|1,0,2]=4
10  B11R0.148  CCCCCCCCCC(=O)O M18432 [1,1,0,0,0,0|1,0,0]=3
11  B11R0.148  CCCCCCCCCC(=O)[O-] M27380 [1,1,0,0,0,0|1,0,0]=3
12  B11R0.148  CCCCCCCCCC(C)=O M21330 [1,1,0,0,0,0|0,0,1]=3
13  B11R0.148  CCCCCCCCCC(C)O M27522 [1,1,0,0,0,0|0,0,1]=3
14  B11R0.148  CCCCCCCCOC(C)=O M20318 [1,1,0,0,0,0|1,0,1]=4
15  B13R0.54  CCCCCCCCCCCC(=O)O M18014 [0,2,0,0,0,0|0,0,2]=4
16  B13R0.54  CCCCCCCCCCCC(C)=O M28719 [0,2,0,0,0,0|1,0,1]=4
17  B13R0.54  NCCCCCCCCCCC(=O)O M26872 [0,2,0,0,0,0|1,0,1]=4
18  B13R0.147  C=CCCCCCCCCC(=O)OC M23314 [0,2,0,0,0,0|0,0,1]=3
19  B13R0.147  CCCCCCCCCCC(=O)OC M28722 [0,2,0,0,0,0|1,0,1]=4
20  B13R0.336  C=CCNCCCCCCCCCC M28036 [0,2,0,0,0,0|1,0,0]=3
21  B13R0.179  O=C(O)CCCCCCCCC(=O)O M17820 [0,2,0,0,0,0|1,0,1]=4
22  B13R1.27  CCCCCCCC1CCC(=O)O1 M23259 [0,1,0,1,0,0|2,0,0]=4