0  B9R0.45  ICCOCCOCCI M26870 [0,0,0,0,0,0|4,0,0]=4
1  B9R0.45  NCCCCNCCCN M19710 [0,0,0,0,0,0|3,0,0]=3
2  B9R0.45  NCCCCNCCCN M19880 [0,0,0,0,0,0|3,0,0]=3
3  B9R0.45  NCCNCCNCCN M24342 [0,0,0,0,0,0|4,0,0]=4
4  B9R0.45  [N-]=[N+]=NCCCCCCO M28206 [0,0,0,0,0,0|3,1,0]=4
5  B8R0.4  NCCCCCCCN M21554 [1,0,0,0,0,0|2,0,0]=3
6  B8R0.4  NCCCNCCCN M19708 [1,0,0,0,0,0|3,0,0]=4
7  B10R0.4  CCCCCCCCC(=O)O M19549 [0,1,0,0,0,0|1,1,1]=4
8  B10R0.4  NCCCCCCCC(=O)O M21406 [0,1,0,0,0,0|1,1,1]=4
9  B10R0.71  CCCCCCCCCC=O M21351 [0,1,0,0,0,0|1,1,0]=3
10  B10R0.71  COCCOCCOCCS M26973 [0,1,0,0,0,0|2,1,0]=4
11  B7R0.1  CCCSSCCC M24629 [2,0,0,0,0,0|2,0,0]=4
12  B7R0.1  NCCCNCCS M29602 [2,0,0,0,0,0|2,0,0]=4
13  B9R0.2  CCCCCCCC(=O)O M19558 [1,1,0,0,0,0|0,1,1]=4
14  B11R0.176  O=C(O)CCCCC(S)CCS M27379 [0,2,0,0,0,0|0,1,1]=4
15  B11R0.148  CCCCCCCCCC(=O)O M18432 [0,2,0,0,0,0|1,1,0]=4
16  B11R0.148  CCCCCCCCCC(=O)[O-] M27380 [0,2,0,0,0,0|1,1,0]=4
17  B11R0.148  CCCCCCCCCC(C)=O M21330 [0,2,0,0,0,0|1,1,0]=4
18  B11R0.148  CCCCCCCCCC(C)O M27522 [0,2,0,0,0,0|1,1,0]=4
19  B11R0.3  C=CCCCCCCCCCO M27520 [0,2,0,0,0,0|1,1,0]=4
20  B11R0.3  CCCCCCCCCCCO M20876 [0,2,0,0,0,0|1,1,0]=4
21  B9R1.8  CCCC1CCCCN1 M23697 [1,0,0,1,0,0|1,0,0]=3
22  B11R1.28  NCCCNC1CCCCC1 M28059 [0,1,0,1,0,0|2,0,0]=4