0  B15R0.164  C#CCCCCCCCCCCCC(=O)O W15678 [0,0,0,0,0,0|0,0,2]=2
1  B15R0.164  CCCCCCCCCCCCCC(=O)[O-] 42117 [0,0,0,0,0,0|0,0,1]=1
2  B15R0.164  CCC\C=C/CCCCCCCOC(C)=O D87855 [0,0,0,0,0,0|2,0,2]=4
3  B15R0.164  COCCOCCOCCOCCC(=O)O H10072 [0,0,0,0,0,0|4,0,0]=4
4  B14R0.392  CCCCCCCCCCCCNCC D97267 [1,0,0,0,0,0|2,0,1]=4
5  B14R0.394  CCCCCCCCCCCCC(C)=O T72124 [1,0,0,0,0,0|1,0,0]=2
6  B16R0.177  NCCCCCC(=O)NCCCCCC(=O)O H11905 [0,1,0,0,0,0|2,0,1]=4
7  B16R0.221  CCCCCCCCCCCCC[C@@H](O)CC 73820 [0,1,0,0,0,0|1,0,1]=3
8  B16R0.221  CCCCCCCCCCCCOC(=O)CC A10989 [0,1,0,0,0,0|2,0,0]=3
9  B16R0.274  CCCCCCCCCCCCCCC(N)=O D93297 [0,1,0,0,0,0|1,0,0]=2
10  B16R0.274  O=C(O)CCCCCCCCCCCCCO S10578 [0,1,0,0,0,0|0,0,0]=1
11  B13R0.336  C#CCCCCCCCCCCCO D92924 [2,0,0,0,0,0|0,0,2]=4
12  B13R0.54  C=CCCCCCCCCCC(=O)O I12075 [2,0,0,0,0,0|0,0,2]=4
13  B13R0.54  O=C(O)CCCCCCCCCCCl D86287 [2,0,0,0,0,0|1,0,0]=3
14  B15R0.70  C=CCCCCCCCCCCCCCO D97263 [1,1,0,0,0,0|1,0,0]=3
15  B15R0.70  NCCCCCCCCCCCCCCN AC8480 [1,1,0,0,0,0|1,0,1]=4
16  B15R0.2002  CCCCCCCCCC[C@@H](C)CCCC D93033 [1,1,0,0,0,0|1,0,1]=4
17  B17R0.256  CCOC(=O)CCCCCCCCCCC(=O)O T71188 [0,2,0,0,0,0|0,0,1]=3
18  B17R0.13601  CCCCCCCCCCCC(=O)CC(=O)OC H11047 [0,2,0,0,0,0|0,0,1]=3
19  B17R0.43  CCCCCC\C=C/CCCCCCCC(N)=O D93056 [0,2,0,0,0,0|1,0,0]=3
20  B17R0.43  NCCCCCCCCCCCCCCC(=O)O AC4715 [0,2,0,0,0,0|0,0,0]=2
21  B17R0.43  O=C(O)CCCCCCCCCCCCCCBr C75652 [0,2,0,0,0,0|0,0,0]=2
22  B17R0.197  CCCCCCCCCCCCCCC(C)(C)O D93210 [0,2,0,0,0,0|1,0,1]=4
23  B17R0.197  CCCCCCCCCCCCCCP(=O)(O)O T72493 [0,2,0,0,0,0|1,0,0]=3
24  B17R1.11  CCCCCCCCCCC1CCC(=O)CC1 W17272 [0,1,0,1,0,0|1,0,0]=3