0  B18R0.176  NCCCCCCCCCCCCCCCC(=O)O DY531705 [0,0,0,0,0,0|1,0,0]=1
1  B17R0.43  CCCCCCCCCCCCCCOC(C)=O NO16523 [1,0,0,0,0,0|2,0,0]=3
2  B17R0.43  CCCCCCCC\C=C\CCCCCC(=O)O DY543657 [1,0,0,0,0,0|0,0,2]=3
3  B17R0.117  CCCCCCCCCCCCCCCCCO NO20705 [1,0,0,0,0,0|1,0,1]=3
4  B19R0.148  CCCCCCCCCCCCCCCCC(=O)OC DY531513 [0,1,0,0,0,0|1,0,0]=2
5  B19R0.149  C#CCCCCCCCCCCCCCCCC(=O)O DY457300 [0,1,0,0,0,0|1,0,0]=2
6  B19R0.149  C=CCCCCCCCCCCCCCCCC(=O)O DY797247 [0,1,0,0,0,0|1,0,0]=2
7  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)[O-] DY822888 [0,1,0,0,0,0|1,0,1]=3
8  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)[O-] DY822899 [0,1,0,0,0,0|1,0,1]=3
9  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)[O-] DY822976 [0,1,0,0,0,0|1,0,1]=3
10  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)[O-] NO11167 [0,1,0,0,0,0|1,0,1]=3
11  B19R0.149  CCCCCCCCSCCCCCCCCC(=O)O DY504255 [0,1,0,0,0,0|1,0,0]=2
12  B19R0.149  CCCCCCCC\C=C\CCCCCCCC(=O)O DY20980 [0,1,0,0,0,0|1,0,1]=3
13  B19R0.443  O=C(O)CCCCCCCCCCCCCCC(=O)O NO13038 [0,1,0,0,0,0|0,0,1]=2
14  B19R0.2958  C#CCCC[C@@H](O)CCCCCCCCCCC(=O)O DY525267 [0,1,0,0,0,0|1,0,1]=3
15  B16R0.303  CCCCCCCCCCCCCCCCBr DY460638 [2,0,0,0,0,0|1,0,1]=4
16  B16R0.303  CCCCCCCCCCCCCCN=C=O DY742645 [2,0,0,0,0,0|1,0,1]=4
17  B18R0.174  CCCCCCCCCCCCCCC(Br)C(=O)O DY534183 [1,1,0,0,0,0|0,0,0]=2
18  B18R0.174  CCCCCCCCCCCCCCC(N)C(=O)O DY700164 [1,1,0,0,0,0|0,0,0]=2
19  B18R0.974  O=C(O)CCCCCCCCCCCCCC(=O)O NO13724 [1,1,0,0,0,0|0,0,1]=3
20  B18R0.221  OCCCCCCCCCCCCCCCCCO DY822764 [1,1,0,0,0,0|0,0,1]=3
21  B20R0.3034  CCCCCCCCCCCCCCCCNC(=O)CBr NO14034 [0,2,0,0,0,0|2,0,0]=4
22  B20R0.3034  CCCCCCCCCCCCCCCCOC(=O)CC DY740569 [0,2,0,0,0,0|2,0,0]=4
23  B20R0.3037  CCCCCCCCCCCCCCCCC(Br)C(=O)O DY788547 [0,2,0,0,0,0|1,0,0]=3
24  B20R0.90  CCCCCC[C@@H](O)C\C=C\CCCCCCCC(=O)O NO11935 [0,2,0,0,0,0|1,0,1]=4
25  B20R0.32509  CCCCCCCCCCCCCCCCOP(=O)([O-])O NO10925 [0,2,0,0,0,0|2,0,0]=4
26  B18R1.13791  O=C1CCCCCCCCCCCCCCCO1 DY770109 [1,0,0,1,0,0|0,0,0]=2
27  B18R1.13791  O=C1CCCCCCCCCOCCCCCO1 DY822575 [1,0,0,1,0,0|1,0,0]=3
28  B20R1.250  CCCCCCCCCCCCCC1CCCC(=O)O1 DY777520 [0,1,0,1,0,0|1,0,0]=3