0  B16R0.274  CCCCCCCCCCCCCCC(N)=O D93297 [0,0,0,0,0,0|1,0,0]=1
1  B16R0.274  O=C(O)CCCCCCCCCCCCCO S10578 [0,0,0,0,0,0|1,0,0]=1
2  B15R0.70  C=CCCCCCCCCCCCCCO D97263 [1,0,0,0,0,0|2,0,0]=3
3  B15R0.70  NCCCCCCCCCCCCCCN AC8480 [1,0,0,0,0,0|2,0,1]=4
4  B15R0.164  C#CCCCCCCCCCCCC(=O)O W15678 [1,0,0,0,0,0|0,0,2]=3
5  B15R0.164  CCCCCCCCCCCCCC(=O)[O-] 42117 [1,0,0,0,0,0|0,0,1]=2
6  B17R0.43  CC(C)CCCCCCCCCCCCCCO W17886 [0,1,0,0,0,0|2,0,1]=4
7  B17R0.43  CCCCCCCCCCCCCCCN(C)C A11009 [0,1,0,0,0,0|3,0,0]=4
8  B17R0.43  CCCCCC\C=C/CCCCCCCC(N)=O D93056 [0,1,0,0,0,0|1,0,1]=3
9  B17R0.43  NCCCCCCCCCCCCCCC(=O)O AC4715 [0,1,0,0,0,0|0,0,0]=1
10  B17R0.43  O=C(O)CCCCCCCCCCCCCCBr C75652 [0,1,0,0,0,0|0,0,0]=1
11  B17R0.197  CCCCCCCCCCCCCCC(C)(C)O D93210 [0,1,0,0,0,0|1,0,1]=3
12  B17R0.197  CCCCCCCCCCCCCCP(=O)(O)O T72493 [0,1,0,0,0,0|1,0,0]=2
13  B17R0.256  CCOC(=O)CCCCCCCCCCC(=O)O T71188 [0,1,0,0,0,0|1,0,1]=3
14  B14R0.392  CCCCCCCCCCCCNCC D97267 [2,0,0,0,0,0|1,0,1]=4
15  B14R0.394  CCCCCCCCCCCCC(C)=O T72124 [2,0,0,0,0,0|1,0,0]=3
16  B16R0.221  CCCCCCCCCCCCC[C@@H](O)CC 73820 [1,1,0,0,0,0|1,0,1]=4
17  B16R0.303  C#CCCCCCCCCCCCCCCC T72187 [1,1,0,0,0,0|1,0,1]=4
18  B16R0.303  C=CCCCCCCCCCCCCCCBr A51198 [1,1,0,0,0,0|1,0,0]=3
19  B16R0.303  CCCCCCCCCCCCCCCC#N D80676 [1,1,0,0,0,0|1,0,1]=4
20  B16R0.303  CCCCCCCCCCCCCCCC=O RB3019 [1,1,0,0,0,0|0,0,0]=2
21  B16R0.303  CCCCCC\C=C/CCCCCCCCO S11592 [1,1,0,0,0,0|0,0,2]=4
22  B16R0.303  CCCC\C=C/CCCCCCCCCC=O T72592 [1,1,0,0,0,0|0,0,1]=3
23  B16R0.303  OCCCCCCCCCCCCCCCBr 67109 [1,1,0,0,0,0|0,0,1]=3
24  B16R0.303  OCCCCCCCCCCCCCCCO 11975 [1,1,0,0,0,0|0,0,1]=3
25  B18R0.94  CCCCCCCCC(=O)CCCCCCC(=O)O D94349 [0,2,0,0,0,0|0,0,0]=2
26  B18R0.171  CCCCCC\C=C/CCCCCCCC(=O)OC C14187 [0,2,0,0,0,0|0,0,1]=3
27  B18R0.176  CCCCCCCCCCCCCCCCC(=O)[O-] S10579 [0,2,0,0,0,0|0,0,1]=3
28  B18R0.176  CCCCCCCCCCCCCCCCC(N)=O D81341 [0,2,0,0,0,0|1,0,0]=3
29  B18R0.176  O=C(O)CCCCCCCCCCCCCCCO F13220 [0,2,0,0,0,0|0,0,0]=2
30  B18R0.3148  O=C(O)CCCCCCCCCC[C@H](O)CC(=O)O D93262 [0,2,0,0,0,0|1,0,1]=4
31  B18R0.15765  COC(=O)CCCCCCCCCCCC(=O)OC 20028 [0,2,0,0,0,0|1,0,1]=4
32  B18R1.1108  CCCCCCCCCCC[C@H]1CCCC(=O)O1 D93244 [0,1,0,1,0,0|0,0,0]=2