0  B10R0.4  CCCCCCCCC(=O)O M19549 [0,0,0,0,0,0|2,0,0]=2
1  B10R0.4  NCCCCCCCC(=O)O M21406 [0,0,0,0,0,0|3,0,0]=3
2  B9R0.2  CC(=O)NCCCCCN M19992 [1,0,0,0,0,0|2,0,0]=3
3  B9R0.2  CCCCCCCC(=O)O M19558 [1,0,0,0,0,0|1,0,0]=2
4  B9R0.2  CCCCCNCC(N)=O M28420 [1,0,0,0,0,0|2,0,0]=3
5  B9R0.2  CCCCC\C=C\C(=O)O M20010 [1,0,0,0,0,0|1,0,2]=4
6  B11R0.30  CC(=O)NCCCCCC(=O)O M15077 [0,1,0,0,0,0|2,0,1]=4
7  B11R0.148  CCCCCCCCCC(=O)O M18432 [0,1,0,0,0,0|2,0,0]=3
8  B11R0.148  CCCCCCCCCC(=O)[O-] M27380 [0,1,0,0,0,0|2,0,0]=3
9  B11R0.148  CCCCCCCCCC(C)=O M21330 [0,1,0,0,0,0|1,0,0]=2
10  B11R0.148  CCCCCCCCCC(C)O M27522 [0,1,0,0,0,0|1,0,2]=4
11  B11R0.148  CCCCCCCCOC(C)=O M20318 [0,1,0,0,0,0|0,0,0]=1
12  B11R0.148  CCCCCCC\C=C/C(=O)O M29617 [0,1,0,0,0,0|2,0,0]=3
13  B11R0.148  CCCCCCC\C=C\C(=O)O M20740 [0,1,0,0,0,0|2,0,0]=3
14  B11R0.176  O=C(O)CCCCC(S)CCS M27379 [0,1,0,0,0,0|3,0,0]=4
15  B11R1.27  CCCCCC1CCC(=O)O1 M23254 [0,0,0,1,0,0|2,0,0]=3
16  B11R1.91  N=C(N)NCC1CCCCC1 M28423 [0,0,0,1,0,0|3,0,0]=4
17  B8R0.7  CC(=O)NCCCCN M20805 [2,0,0,0,0,0|2,0,0]=4
18  B8R0.7  CCCCCCC(=O)O M19552 [2,0,0,0,0,0|1,0,0]=3
19  B8R0.7  NCCCCCC(=O)O M15254 [2,0,0,0,0,0|2,0,0]=4
20  B10R0.6  CCCCCC(O)CC(=O)O M28858 [1,1,0,0,0,0|1,0,0]=3
21  B10R0.74  CCCCCCCC(=O)OC M29391 [1,1,0,0,0,0|0,0,0]=2
22  B10R0.75  CCCCCCC(N)C(=O)O M28713 [1,1,0,0,0,0|1,0,0]=3
23  B10R0.75  CCCCCCC(O)C(=O)O M20871 [1,1,0,0,0,0|1,0,0]=3
24  B10R0.78  CCCCC(C)CCC(=O)O M21362 [1,1,0,0,0,0|1,0,0]=3
25  B10R0.71  CCCCCCCCCC=O M21351 [1,1,0,0,0,0|1,0,0]=3
26  B10R0.91  CCCCCC(O)\C=C\C=O M22673 [1,1,0,0,0,0|1,0,1]=4
27  B12R0.4  CCCCCCCC(O)CC(=O)O M20794 [0,2,0,0,0,0|2,0,0]=4
28  B12R0.251  CCCCCCCC[C@H](O)C(=O)O M27943 [0,2,0,0,0,0|2,0,0]=4
29  B12R0.234  C=CCCCCCCCCC(=O)O M10437 [0,2,0,0,0,0|2,0,0]=4
30  B12R0.234  C=CCCCCCCCCC(=O)O M15023 [0,2,0,0,0,0|2,0,0]=4
31  B12R0.234  CC(=O)NCCCCNCCCN M27096 [0,2,0,0,0,0|1,0,0]=3
32  B12R0.234  CCCCCCCCCCC(=O)O M20011 [0,2,0,0,0,0|2,0,0]=4
33  B12R0.234  CCCCCCCC\C=C\C(=O)O M27109 [0,2,0,0,0,0|2,0,0]=4
34  B12R0.234  O=C(O)CCCCCCCCCO M18111 [0,2,0,0,0,0|2,0,0]=4
35  B12R0.234  O=C(O)\C=C\CCCCCCCO M18005 [0,2,0,0,0,0|2,0,0]=4
36  B12R1.7  CCCCCCC1CCC(=O)O1 M21350 [0,1,0,1,0,0|0,0,0]=2
37  B12R1.28  CCCCCC1CCCC(=O)O1 M28334 [0,1,0,1,0,0|2,0,0]=4