0  B19R0.182  CCCCCCCCCCCCCCCC(=O)OCC A15694 [0,0,0,0,0,0|0,0,0]=0
1  B18R0.171  CCCCCCCCCCCCCCCC(=O)NN L13013 [1,0,0,0,0,0|2,0,0]=3
2  B18R0.171  CCCCCCCCCCCCCCCC(=O)OC L05509 [1,0,0,0,0,0|0,0,0]=1
3  B18R0.221  CCCCCCCCCCCCCCCCCCBr A15588 [1,0,0,0,0,0|2,0,1]=4
4  B18R0.221  CCCCCCCCCCCCCCCCCCC L05701 [1,0,0,0,0,0|1,0,1]=3
5  B18R0.221  CCCCCCCCCCCCCCCCCCCl B24900 [1,0,0,0,0,0|2,0,1]=4
6  B18R0.221  CCCCCCCCCCCCCCCCCCN 41378 [1,0,0,0,0,0|2,0,1]=4
7  B18R0.221  CCCCCCCCCCCCCCCCCCN L15458 [1,0,0,0,0,0|2,0,1]=4
8  B18R0.221  CCCCCCCCCCCCCCCCCCO A12020 [1,0,0,0,0,0|2,0,1]=4
9  B18R0.221  CCCCCCCCCCCCCCCCCCS L04123 [1,0,0,0,0,0|2,0,1]=4
10  B18R0.221  CCCCCCCCCCCCCCCCCC[Zn+] H58822 [1,0,0,0,0,0|2,0,1]=4
11  B18R0.221  CCCCCCCCCSCCCCCCCCC L10638 [1,0,0,0,0,0|2,0,1]=4
12  B20R0.2931  CCCCCCCCCCCCCCCC(=O)OC(C)C L04276 [0,1,0,0,0,0|0,0,0]=1
13  B17R0.117  CCCCCCCCCCCCCCCCCC 31954 [2,0,0,0,0,0|0,0,1]=3
14  B17R0.117  CCCCCCCCCCCCCCCCCC 44301 [2,0,0,0,0,0|0,0,1]=3
15  B17R0.117  CCCCCCCCCCCCCCCCCC 44512 [2,0,0,0,0,0|0,0,1]=3
16  B17R0.117  CCCCCCCCCCCCCCCCCO L20404 [2,0,0,0,0,0|1,0,1]=4
17  B17R0.195  CCCCCCCCCCCCCCC(=O)CBr H27872 [2,0,0,0,0,0|1,0,0]=3
18  B17R0.250  CCCCCCCCCCCCCC(=O)CCC B24932 [2,0,0,0,0,0|1,0,0]=3
19  B17R0.250  CCCCCCCCCCCCCC(=O)OCC A11646 [2,0,0,0,0,0|0,0,0]=2
20  B17R0.43  C(CCCCCCCO)CCCCCCC(=O)O B21670 [2,0,0,0,0,0|1,0,0]=3
21  B17R0.43  CCCCCCCCCCCCCCCC(=O)Cl A13812 [2,0,0,0,0,0|1,0,0]=3
22  B17R0.43  CCCCCCCCCCCCCCCC(=O)O B20322 [2,0,0,0,0,0|0,0,0]=2
23  B19R0.36  CCCCCCCCCCCCCCCCCCCC A13853 [1,1,0,0,0,0|1,0,1]=4
24  B21R0.2907  CCCCCCCCCCCCCCCCCC(=O)OCC A16807 [0,2,0,0,0,0|0,0,0]=2
25  B21R0.2907  CCCCCCCC\C=C/CCCCCCCC(=O)OCC A15601 [0,2,0,0,0,0|0,0,0]=2