0  B13R0.54  CCCCCCCCCCCC(=O)O DB03017 [0,0,0,0,0,0|0,0,0]=0
1  B13R0.54  CCCCCCCCCCOC(=O)S DB08684 [0,0,0,0,0,0|1,1,0]=2
2  B13R0.54  O=C(O)CCCCCCCCCCS DB08171 [0,0,0,0,0,0|1,0,0]=1
3  B12R0.5  CCCCCCCCCCCCO DB06894 [1,0,0,0,0,0|0,0,1]=2
4  B12R0.5  CCCCCCCCCCOC=O DB07650 [1,0,0,0,0,0|1,0,0]=2
5  B12R0.5  CCCCCCCCCCOCO DB04082 [1,0,0,0,0,0|1,0,1]=3
6  B14R0.88  CCCCCCCCCCC[N+](C)(C)[O-] DB07646 [0,1,0,0,0,0|2,0,1]=4
7  B14R0.391  [C@@H](O)(CCCCCCCCC)CC(=O)O DB07930 [0,1,0,0,0,0|0,0,0]=1
8  B14R0.394  CCCCCCCCCCCCC(=O)O DB02448 [0,1,0,0,0,0|0,0,0]=1
9  B14R0.394  O=C(O)CCCCCCCCCCCBr DB02405 [0,1,0,0,0,0|0,0,0]=1
10  B14R0.394  O=C(O)CCCCCCCCCCCO DB03704 [0,1,0,0,0,0|0,0,0]=1
11  B11R0.3  CCCCCCCCCCC=O DB04093 [2,0,0,0,0,0|0,0,0]=2
12  B11R0.3  OCCCCCCCCNCO DB07897 [2,0,0,0,0,0|2,0,0]=4
13  B11R0.148  CCCCCCCCCC(=O)O DB03600 [2,0,0,0,0,0|0,0,0]=2
14  B11R0.148  CCCCCCCCCC(C)=O DB08688 [2,0,0,0,0,0|1,0,0]=3
15  B13R0.336  OCCCCCCCCCCCCBr DB02619 [1,1,0,0,0,0|0,0,1]=3
16  B13R0.179  O=C(O)CCCCCCCCC(=O)O DB07645 [1,1,0,0,0,0|1,0,1]=4
17  B13R0.280  CCCCCCCCCCP(C)(C)=O DB07641 [1,1,0,0,0,0|2,0,0]=4
18  B13R0.280  CCCCCCCCCCS(=O)(=O)O DB06893 [1,1,0,0,0,0|1,0,0]=3
19  B15R0.252  CCCCCCCCCCCCS(=O)(=O)[O-] DB07681 [0,2,0,0,0,0|1,0,1]=4
20  B15R0.254  CCCCCCCCCCC[P@](=O)(O)OC DB08222 [0,2,0,0,0,0|1,0,0]=3
21  B15R0.84  [C@H](N)(CSCCCCCCCCC)C(=O)O DB07849 [0,2,0,0,0,0|0,0,0]=2
22  B15R0.164  CCCCCCCCCCCCCC(=O)O DB08231 [0,2,0,0,0,0|0,0,0]=2
23  B15R1.253  [C@H]1(N)CCCCCCCCCCNC1=O DB08476 [0,1,0,1,0,0|1,0,0]=3