0  B13R0.54  O=C(O)CCCCCCCCCCBr B39661 [0,0,0,0,0,0|1,0,0]=1
1  B13R0.54  O=C(O)CCCCCCCCCCS M31896 [0,0,0,0,0,0|1,0,0]=1
2  B12R0.5  C#CCCCCCCCCCCO D56304 [1,0,0,0,0,0|0,0,3]=4
3  B12R0.5  CCCCCCCCCCCCO D64921 [1,0,0,0,0,0|0,0,1]=2
4  B12R0.5  CCCCCCCCCCN=[N+]=[N-] A1900 [1,0,0,0,0,0|3,0,0]=4
5  B12R0.5  CCOCCCCCCCCCO E64231 [1,0,0,0,0,0|1,0,1]=3
6  B12R0.5  OCCCCCCCCCCCBr B55158 [1,0,0,0,0,0|1,0,1]=3
7  B12R0.5  OCCCCCCCCCCCO U55159 [1,0,0,0,0,0|1,0,1]=3
8  B12R0.234  CCCCCCCCCCB(O)O D53367 [1,0,0,0,0,0|1,0,1]=3
9  B12R0.234  COCCOCCOCCC(=O)O M47163 [1,0,0,0,0,0|3,0,0]=4
10  B12R0.234  NCCCCCCCCCC(=O)O A53349 [1,0,0,0,0,0|1,0,0]=2
11  B12R0.234  O=C(O)CCCCCCCCCBr B53316 [1,0,0,0,0,0|1,0,0]=2
12  B14R0.68  O=C(O)CCCCCCCCCC(=O)O N37872 [0,1,0,0,0,0|1,0,1]=3
13  B14R0.340  CCCCCCCCCC[C@H](N)C(=O)O A56350 [0,1,0,0,0,0|0,0,0]=1
14  B14R0.394  NCCOCCOCCOCCC(=O)O A50604 [0,1,0,0,0,0|3,0,0]=4
15  B14R0.394  O=C(O)CCOCCOCCOCCBr B50564 [0,1,0,0,0,0|3,0,0]=4
16  B11R0.3  BrCCCCCCCCCCBr D39629 [2,0,0,0,0,0|2,0,0]=4
17  B11R0.3  C=CCCCCCCCCCBr B55096 [2,0,0,0,0,0|1,0,1]=4
18  B11R0.3  C=CCCCCCCCCCC D56327 [2,0,0,0,0,0|0,0,1]=3
19  B11R0.3  C=CCCCCCCCCCO U55141 [2,0,0,0,0,0|0,0,2]=4
20  B11R0.3  CCCCCCCCCCCO U67607 [2,0,0,0,0,0|0,0,0]=2
21  B11R0.3  ClCCCCCCCCCCCl D39630 [2,0,0,0,0,0|2,0,0]=4
22  B11R0.3  OCCCCCCCCCCBr B53359 [2,0,0,0,0,0|1,0,0]=3
23  B11R0.148  NCCCCCCCCC(=O)O A50593 [2,0,0,0,0,0|1,0,0]=3
24  B11R0.148  O=C(O)CCCCCCCCBr B38107 [2,0,0,0,0,0|1,0,0]=3
25  B11R0.148  O=C(O)CCCCCCCCO H68316 [2,0,0,0,0,0|1,0,0]=3
26  B13R0.336  BrCCCCCCCCCCCCBr D56328 [1,1,0,0,0,0|1,0,1]=4
27  B13R0.336  NCCCCCCCCCCCCO A56354 [1,1,0,0,0,0|0,0,1]=3
28  B13R0.336  OCCCCCCCCCCCCBr B56351 [1,1,0,0,0,0|0,0,1]=3
29  B13R0.336  OCCCCCOCCCCCCCl C62131 [1,1,0,0,0,0|1,0,1]=4
30  B13R0.179  O=C(O)CCCCCCCCC(=O)O A53217 [1,1,0,0,0,0|1,0,1]=4
31  B15R0.252  CCCCCCCCCCCCS(=O)(=O)[O-] S39686 [0,2,0,0,0,0|1,0,1]=4
32  B15R0.164  COCCOCCOCCOCCC(=O)O T53341 [0,2,0,0,0,0|2,0,0]=4
33  B15R0.164  [N-]=[N+]=NCCCCCCCCCCC(=O)O A9114 [0,2,0,0,0,0|1,0,0]=3
34  B13R1.6  CCCCCC[C@H]1CCCC(=O)O1 H55090 [1,0,0,1,0,0|0,0,0]=2