0  B19R0.149  C#CCCCCCCCCCCCCCCCC(=O)O DY457300 [0,0,0,0,0,0|0,0,2]=2
1  B19R0.149  C=CCCCCCCCCCCCCCCCC(=O)O DY797247 [0,0,0,0,0,0|0,0,2]=2
2  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)[O-] DY822888 [0,0,0,0,0,0|0,0,1]=1
3  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)[O-] DY822899 [0,0,0,0,0,0|0,0,1]=1
4  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)[O-] DY822976 [0,0,0,0,0,0|0,0,1]=1
5  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)[O-] NO11167 [0,0,0,0,0,0|0,0,1]=1
6  B19R0.149  CCCCCCCCSCCCCCCCCC(=O)O DY504255 [0,0,0,0,0,0|1,0,0]=1
7  B19R0.149  CCCCCCCC\C=C\CCCCCCCC(=O)O DY20980 [0,0,0,0,0,0|0,0,2]=2
8  B19R0.149  CCCC\C=C\CCCCCCCCCCOC(C)=O DY822565 [0,0,0,0,0,0|2,0,2]=4
9  B18R0.176  NCCCCCCCCCCCCCCCC(=O)O DY531705 [1,0,0,0,0,0|1,0,0]=2
10  B18R0.221  CCCCCCCCCCCCCCCCCCS DY546549 [1,0,0,0,0,0|0,1,1]=3
11  B18R0.221  CCCCCCCCCCCCCCNCCCN DY795459 [1,0,0,0,0,0|2,0,1]=4
12  B18R0.221  OCCCCCCCCCCCCCCCCCO DY822764 [1,0,0,0,0,0|1,0,1]=3
13  B20R0.90  CCCCCC[C@@H](O)C\C=C\CCCCCCCC(=O)O NO11935 [0,1,0,0,0,0|0,0,2]=3
14  B20R0.3034  CCCCCCCCCCCCCCCCNC(=O)CBr NO14034 [0,1,0,0,0,0|2,0,0]=3
15  B20R0.3034  CCCCCCCCCCCCCCCCOC(=O)CC DY740569 [0,1,0,0,0,0|2,0,0]=3
16  B20R0.3037  CCCCCCCCCCCCCCCCC(Br)C(=O)O DY788547 [0,1,0,0,0,0|0,0,0]=1
17  B20R0.32509  CCCCCCCCCCCCCCCCOP(=O)([O-])O NO10925 [0,1,0,0,0,0|2,0,0]=3
18  B20R1.250  CCCCCCCCCCCCCC1CCCC(=O)O1 DY777520 [0,0,0,1,0,0|0,0,0]=1
19  B17R0.43  CCCCCCCCCCCCCCOC(C)=O NO16523 [2,0,0,0,0,0|2,0,0]=4
20  B17R0.43  CCCCCCCC\C=C\CCCCCC(=O)O DY543657 [2,0,0,0,0,0|0,0,2]=4
21  B17R0.117  CCCCCCCCCCCCCCCCCO NO20705 [2,0,0,0,0,0|0,0,0]=2
22  B19R0.148  CCCCCCCCCCCCCCCCC(=O)OC DY531513 [1,1,0,0,0,0|0,0,0]=2
23  B19R0.443  O=C(O)CCCCCCCCCCCCCCC(=O)O NO13038 [1,1,0,0,0,0|1,0,1]=4
24  B19R0.2958  C#CCCC[C@@H](O)CCCCCCCCCCC(=O)O DY525267 [1,1,0,0,0,0|0,0,2]=4
25  B21R0.21192  CCCCCCC(O)CCCCCCCCCCC(=O)OC DY822449 [0,2,0,0,0,0|0,0,0]=2
26  B21R0.2907  CCCCCCCC\C=C\CCCCCCCC(=O)OCC DY506676 [0,2,0,0,0,0|0,0,2]=4
27  B21R0.24664  COC(=O)CCCCCCCCCCCCCCC(=O)OC DY822762 [0,2,0,0,0,0|1,0,1]=4
28  B21R0.36766  CCCCCCCCCCCCCCCCOC[C@@H](O)CO DY437728 [0,2,0,0,0,0|0,0,2]=4
29  B21R0.81  CCCCCCCC\C=C\CCCCCCCCCC(=O)O DY545475 [0,2,0,0,0,0|0,0,0]=2
30  B21R1.988145  CCCCCCC1CC1CCCCCCCCCC(=O)O DY557073 [0,1,0,1,0,0|0,0,0]=2
31  B21R1.24880  O=C1CCCCCCCCCCCCCCCCC(=O)O1 DY822421 [0,1,0,1,0,0|0,0,1]=3