0  B13R0.336  CCCCCCCCCCCCCO C14509 [0,0,0,0,0,0|0,0,2]=2
1  B12R0.5  CCCCCCCCCCCC=O C02278 [1,0,0,0,0,0|0,0,0]=1
2  B12R0.5  CCCCCCCCCCCCC C13834 [1,0,0,0,0,0|0,0,1]=2
3  B12R0.5  CCCCCCCCCCCCO C02277 [1,0,0,0,0,0|0,0,1]=2
4  B14R0.337  [*]SC(=O)CCCCCCCCCCC C05223 [0,1,0,0,0,0|2,0,1]=4
5  B14R0.392  CCCCCCCCCCCCCCC C08388 [0,1,0,0,0,0|1,0,1]=3
6  B14R0.394  CCCCCCCCCCCCC(=O)O C17076 [0,1,0,0,0,0|0,0,0]=1
7  B14R0.394  O=C(O)CCCCCCCCCCCO C08317 [0,1,0,0,0,0|1,0,0]=2
8  B11R0.3  CCCCCCCCCCCC C08374 [2,0,0,0,0,0|0,0,0]=2
9  B11R0.3  CCCCCCCCSCCO C18863 [2,0,0,0,0,0|1,0,1]=4
10  B13R0.2  CCCCCCCCCC(=O)CC=O C16947 [1,1,0,0,0,0|0,0,1]=3
11  B13R0.54  CCCCCCCCCCCC(=O)O C02679 [1,1,0,0,0,0|0,0,0]=2
12  B13R0.54  CCCCCCCCCCCC(N)=O C13831 [1,1,0,0,0,0|0,0,0]=2
13  B13R0.54  CCCCCCCCC\C=C/C(=O)O C21202 [1,1,0,0,0,0|0,0,2]=4
14  B13R0.54  NCCCCCCCCCCC(=O)O C19325 [1,1,0,0,0,0|1,0,0]=3
15  B15R0.84  CCCCCCCCCCC[C@H](N)C(=O)O C13795 [0,2,0,0,0,0|0,0,0]=2
16  B15R0.70  CCCCCCCCCCCCCCC=O C01948 [0,2,0,0,0,0|0,0,0]=2
17  B15R0.164  CCCCCCCCCCCCCC(=O)O C06424 [0,2,0,0,0,0|0,0,0]=2
18  B15R0.164  CCCCCCCCCCCCNC(=N)N C18723 [0,2,0,0,0,0|1,0,0]=3
19  B15R0.164  CCCC\C=C/CCCCCCCC(=O)O C08322 [0,2,0,0,0,0|0,0,1]=3
20  B15R0.222  O=C(O)CCCCCCCCCCC(=O)O C02678 [0,2,0,0,0,0|1,0,1]=4
21  B15R0.252  CCCCCCCCCCCC[N+](C)(C)C C20389 [0,2,0,0,0,0|2,0,0]=4
22  B13R1.279  O=C1CCCCCCCCCCO1 C13823 [1,0,0,1,0,0|1,0,0]=3