0  B12R0.5  C#CCCCCCCCCCCO D56304 [0,0,0,0,0,0|2,0,1]=3
1  B12R0.5  CCCCCCCCCCCCO D64921 [0,0,0,0,0,0|0,0,2]=2
2  B12R0.5  CCCCCCCCCCN=[N+]=[N-] A1900 [0,0,0,0,0,0|3,0,0]=3
3  B12R0.5  CCOCCCCCCCCCO E64231 [0,0,0,0,0,0|1,0,2]=3
4  B12R0.5  OCCCCCCCCCCCBr B55158 [0,0,0,0,0,0|1,0,2]=3
5  B12R0.5  OCCCCCCCCCCCO U55159 [0,0,0,0,0,0|1,0,2]=3
6  B11R0.3  BrCCCCCCCCCCBr D39629 [1,0,0,0,0,0|2,0,0]=3
7  B11R0.3  C=CCCCCCCCCCBr B55096 [1,0,0,0,0,0|1,0,1]=3
8  B11R0.3  C=CCCCCCCCCCC D56327 [1,0,0,0,0,0|0,0,1]=2
9  B11R0.3  C=CCCCCCCCCCO U55141 [1,0,0,0,0,0|1,0,1]=3
10  B11R0.3  CCCCCCCCCCCO U67607 [1,0,0,0,0,0|0,0,1]=2
11  B11R0.3  ClCCCCCCCCCCCl D39630 [1,0,0,0,0,0|2,0,0]=3
12  B11R0.3  OCCCCCCCCCCBr B53359 [1,0,0,0,0,0|1,0,1]=3
13  B13R0.54  O=C(O)CCCCCCCCCCBr B39661 [0,1,0,0,0,0|1,0,0]=2
14  B13R0.54  O=C(O)CCCCCCCCCCS M31896 [0,1,0,0,0,0|1,0,0]=2
15  B13R0.147  CCCCCCCCCCC(=O)OC M56343 [0,1,0,0,0,0|2,0,1]=4
16  B13R0.336  BrCCCCCCCCCCCCBr D56328 [0,1,0,0,0,0|1,0,1]=3
17  B13R0.336  NCCCCCCCCCCCCO A56354 [0,1,0,0,0,0|0,0,2]=3
18  B13R0.336  OCCCCCCCCCCCCBr B56351 [0,1,0,0,0,0|0,0,2]=3
19  B13R0.336  OCCCCCOCCCCCCCl C62131 [0,1,0,0,0,0|1,0,2]=4
20  B10R0.71  BrCCCCCCCCCBr D50565 [2,0,0,0,0,0|2,0,0]=4
21  B10R0.71  C=CCCCCCCCCBr B53284 [2,0,0,0,0,0|1,0,1]=4
22  B10R0.71  ClCCCCCCCCCCl D50566 [2,0,0,0,0,0|2,0,0]=4
23  B10R0.71  OCCCCCCCCCBr B50608 [2,0,0,0,0,0|1,0,1]=4
24  B12R0.234  CCCCCCCCCCB(O)O D53367 [1,1,0,0,0,0|1,0,1]=4
25  B12R0.234  NCCCCCCCCCC(=O)O A53349 [1,1,0,0,0,0|1,0,0]=3
26  B12R0.234  O=C(O)CCCCCCCCCBr B53316 [1,1,0,0,0,0|1,0,0]=3
27  B14R0.68  O=C(O)CCCCCCCCCC(=O)O N37872 [0,2,0,0,0,0|1,0,1]=4
28  B14R0.340  CCCCCCCCCC[C@H](N)C(=O)O A56350 [0,2,0,0,0,0|0,0,0]=2
29  B14R0.392  CCCCCCCCCCCCCCBr B68491 [0,2,0,0,0,0|1,0,1]=4
30  B14R0.392  CCCCCCCCCCCCN=[N+]=[N-] A1887 [0,2,0,0,0,0|1,0,1]=4
31  B14R0.392  OCCCCCCCCCCCCCO T57290 [0,2,0,0,0,0|0,0,2]=4
32  B14R0.392  [N-]=[N+]=NCCCCCCCCCCC=O A7387 [0,2,0,0,0,0|1,0,0]=3
33  B14R0.392  [N-]=[N+]=NCCCCCCCCCCCO A0657 [0,2,0,0,0,0|2,0,0]=4
34  B12R1.18  NCCCN1CCCCCC1=O A50569 [1,0,0,1,0,0|2,0,0]=4