0  B10R0.4  CCCCCCCCC(=O)O M19549 [0,0,0,0,0,0|1,0,2]=3
1  B10R0.4  NCCCCCCCC(=O)O M21406 [0,0,0,0,0,0|2,0,2]=4
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|1,0,1]=3
4  B9R0.2  CCCCCNCC(N)=O M28420 [1,0,0,0,0,0|2,0,1]=4
5  B9R0.2  CCCCC\C=C\C(=O)O M20010 [1,0,0,0,0,0|1,0,0]=2
6  B11R0.148  CCCCCCCCCC(=O)O M18432 [0,1,0,0,0,0|1,0,2]=4
7  B11R0.148  CCCCCCCCCC(=O)[O-] M27380 [0,1,0,0,0,0|1,0,2]=4
8  B11R0.148  CCCCCCCCCC(C)=O M21330 [0,1,0,0,0,0|0,0,2]=3
9  B11R0.148  CCCCCCCCOC(C)=O M20318 [0,1,0,0,0,0|0,0,2]=3
10  B11R0.148  CCCCCCC\C=C/C(=O)O M29617 [0,1,0,0,0,0|1,0,0]=2
11  B11R0.148  CCCCCCC\C=C\C(=O)O M20740 [0,1,0,0,0,0|1,0,0]=2
12  B11R1.27  CCCCCC1CCC(=O)O1 M23254 [0,0,0,1,0,0|1,0,2]=4
13  B8R0.7  CC(=O)NCCCCN M20805 [2,0,0,0,0,0|2,0,0]=4
14  B8R0.7  CCCCCCC(=O)O M19552 [2,0,0,0,0,0|1,0,0]=3
15  B8R0.7  NCCCCCC(=O)O M15254 [2,0,0,0,0,0|2,0,0]=4
16  B10R0.3  CC(C)=CCCC(C)CCO M17791 [1,1,0,0,0,0|2,0,0]=4
17  B10R0.3  CC(C)=CCC[C@@H](C)CCO M21414 [1,1,0,0,0,0|2,0,0]=4
18  B10R0.6  CCCCCC(O)CC(=O)O M28858 [1,1,0,0,0,0|1,0,1]=4
19  B10R0.74  CCCCCCCC(=O)OC M29391 [1,1,0,0,0,0|0,0,1]=3
20  B10R0.75  CCCCCCC(N)C(=O)O M28713 [1,1,0,0,0,0|1,0,1]=4
21  B10R0.75  CCCCCCC(O)C(=O)O M20871 [1,1,0,0,0,0|1,0,1]=4
22  B10R0.78  CCCCC(C)CCC(=O)O M21362 [1,1,0,0,0,0|1,0,1]=4
23  B10R0.71  CCCCCCCCCC=O M21351 [1,1,0,0,0,0|0,0,2]=4
24  B10R0.71  CCCCC\C=C\C=C\C=O M28723 [1,1,0,0,0,0|0,0,1]=3
25  B10R0.91  CCCCCC(O)\C=C\C=O M22673 [1,1,0,0,0,0|0,0,0]=2
26  B12R0.234  CC(=O)NCCCCNCCCN M27096 [0,2,0,0,0,0|1,0,1]=4
27  B12R0.234  CCCCCCCC\C=C\C(=O)O M27109 [0,2,0,0,0,0|1,0,0]=3
28  B12R0.234  O=C(O)\C=C\CCCCCCCO M18005 [0,2,0,0,0,0|1,0,0]=3
29  B10R1.21  CCCCCC1=CC=CO1 M18491 [1,0,0,1,0,0|0,0,2]=4
30  B12R1.7  CCCCCCC1CCC(=O)O1 M21350 [0,1,0,1,0,0|1,0,1]=4