0  B16R0.303  C#CCCCCCCCCCCCCCCC T72187 [0,0,0,0,0,0|1,0,1]=2
1  B16R0.303  C=CCCCCCCCCCCCCCCBr A51198 [0,0,0,0,0,0|1,0,2]=3
2  B16R0.303  CCCCCCCCCCCCCCCC#N D80676 [0,0,0,0,0,0|1,0,1]=2
3  B16R0.303  CCCCCCCCCCCCCCCC=O RB3019 [0,0,0,0,0,0|0,0,2]=2
4  B16R0.303  CCCCCC\C=C/CCCCCCCCO S11592 [0,0,0,0,0,0|0,0,2]=2
5  B16R0.303  CCCC\C=C/CCCCCCCCCC=O T72592 [0,0,0,0,0,0|0,0,4]=4
6  B16R0.303  OCCCCCCCCCCCCCCCBr 67109 [0,0,0,0,0,0|1,0,0]=1
7  B16R0.303  OCCCCCCCCCCCCCCCO 11975 [0,0,0,0,0,0|1,0,0]=1
8  B16R0.303  OCCOCCOCCOCCCCCCCl AT19194 [0,0,0,0,0,0|4,0,0]=4
9  B15R0.70  C=CCCCCCCCCCCCCCO D97263 [1,0,0,0,0,0|0,0,2]=3
10  B15R0.70  NCCCCCCCCCCCCCCN AC8480 [1,0,0,0,0,0|2,0,0]=3
11  B17R0.43  CC(C)CCCCCCCCCCCCCCO W17886 [0,1,0,0,0,0|0,0,0]=1
12  B17R0.43  CCCCCCCCCCCCCCCN(C)C A11009 [0,1,0,0,0,0|2,0,0]=3
13  B17R0.43  NCCCCCCCCCCCCCCC(=O)O AC4715 [0,1,0,0,0,0|1,0,1]=3
14  B17R0.43  O=C(O)CCCCCCCCCCCCCCBr C75652 [0,1,0,0,0,0|1,0,1]=3
15  B17R0.104  CCCCCCCCS(=O)CCCCCCCC T70520 [0,1,0,0,0,0|2,0,0]=3
16  B17R0.117  BrCCCCCCCCCCCCCCCCBr 29512 [0,1,0,0,0,0|1,0,0]=2
17  B17R0.117  CCCCCCCCCCCCCCCCCN T70904 [0,1,0,0,0,0|1,0,0]=2
18  B17R0.117  CCCCCCCCCCCCCCOCCO A12270 [0,1,0,0,0,0|0,0,0]=1
19  B17R0.117  OCCCCCCCCCCCCCCCCBr 66902 [0,1,0,0,0,0|0,0,0]=1
20  B17R0.12412  CCCCCCCCCCC(=O)CCCCCC D93031 [0,1,0,0,0,0|1,0,1]=3
21  B14R0.392  CCCCCCCCCCCCNCC D97267 [2,0,0,0,0,0|1,0,0]=3
22  B16R0.221  CCCCCCCCCCCCC[C@@H](O)CC 73820 [1,1,0,0,0,0|0,0,0]=2
23  B16R0.221  CCCCCCCCCCCCOC(=O)CC A10989 [1,1,0,0,0,0|1,0,1]=4
24  B16R0.274  CCCCCCCCCCCCCCC(N)=O D93297 [1,1,0,0,0,0|0,0,2]=4
25  B16R0.274  O=C(O)CCCCCCCCCCCCCO S10578 [1,1,0,0,0,0|1,0,1]=4
26  B18R0.94  CCCCCCCCC(=O)CCCCCCC(=O)O D94349 [0,2,0,0,0,0|0,0,2]=4
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|0,0,1]=3
29  B18R0.176  O=C(O)CCCCCCCCCCCCCCCO F13220 [0,2,0,0,0,0|0,0,1]=3
30  B18R0.11013  CCCCCCCCN(C=O)CCCCCCCC A11065 [0,2,0,0,0,0|2,0,0]=4
31  B18R0.221  C=CCCCCCCCCCCCCCCCCC T71983 [0,2,0,0,0,0|1,0,0]=3
32  B18R0.221  CCCCCCCC\C=C/CCCCCCCC=O A11374 [0,2,0,0,0,0|0,0,2]=4
33  B18R0.3155  CCCCCCCCCCCCCC(=O)NCCO A10816 [0,2,0,0,0,0|0,0,1]=3
34  B18R0.3155  CCCCCCCCCCCCCC(=O)OCCC A11004 [0,2,0,0,0,0|1,0,1]=4
35  B18R0.3155  CCCCCCCCCCCCCC(=O)OCCCl A12590 [0,2,0,0,0,0|1,0,1]=4
36  B18R1.1108  CCCCCCCCCCC[C@H]1CCCC(=O)O1 D93244 [0,1,0,1,0,0|0,0,1]=3