0  B4R0.1  CC(=C)C=C HMDB0032344 [0,0,0,0,0,0|3,0,0]=3
1  B4R0.1  CC(=O)CS HMDB0030025 [0,0,0,0,0,0|3,0,1]=4
2  B4R0.1  CC(=O)OO HMDB0031608 [0,0,0,0,0,0|4,0,0]=4
3  B4R0.1  CC(C)C=O HMDB0031243 [0,0,0,0,0,0|3,0,1]=4
4  B4R0.1  CC(Cl)CO HMDB0031335 [0,0,0,0,0,0|2,0,2]=4
5  B4R0.1  CCC(O)=O HMDB0000237 [0,0,0,0,0,0|3,0,1]=4
6  B4R0.1  CNC(S)=S HMDB0039221 [0,0,0,0,0,0|4,0,0]=4
7  B4R0.1  COC(C)=O HMDB0031523 [0,0,0,0,0,0|4,0,0]=4
8  B4R0.1  CSC(C)=O HMDB0031189 [0,0,0,0,0,0|4,0,0]=4
9  B4R0.1  ClC=C(Cl)Cl HMDB0029593 [0,0,0,0,0,0|0,0,0]=0
10  B4R0.1  NC(=O)C=C HMDB0032161 [0,0,0,0,0,0|3,0,0]=3
11  B4R0.1  OC(=O)C=C HMDB0031647 [0,0,0,0,0,0|3,0,0]=3
12  B4R0.1  OC(=O)CCl HMDB0031331 [0,0,0,0,0,0|2,0,1]=3
13  B3R0.1  C/C=C/S HMDB0040345 [1,0,0,0,0,0|2,0,0]=3
14  B3R0.1  COCCl HMDB0031332 [1,0,0,0,0,0|2,0,1]=4
15  B3R0.1  ClCCCl HMDB0029571 [1,0,0,0,0,0|0,0,2]=3
16  B3R0.1  OCC=C HMDB0031652 [1,0,0,0,0,0|2,0,1]=4
17  B3R0.1  SCC=C HMDB0031635 [1,0,0,0,0,0|2,0,1]=4
18  B3R0.2  CC(N)=O HMDB0031645 [1,0,0,0,0,0|2,0,1]=4
19  B3R0.2  CC(S)=O HMDB0031188 [1,0,0,0,0,0|2,0,1]=4
20  B3R0.2  ClC(Cl)=C HMDB0032554 [1,0,0,0,0,0|0,0,0]=1
21  B3R0.2  ClC(Cl)Cl HMDB0029596 [1,0,0,0,0,0|0,0,1]=2
22  B3R0.2  ClN(Cl)Cl HMDB0034827 [1,0,0,0,0,0|1,0,0]=2
23  B3R0.2  NC(N)=S HMDB0034155 [1,0,0,0,0,0|3,0,0]=4
24  B3R0.2  [O-]C([O-])=O HMDB0031453 [1,0,0,0,0,0|3,0,0]=4
25  B5R0.1  C/C=C/C(O)=O HMDB0010720 [0,1,0,0,0,0|3,0,0]=4
26  B5R0.1  C/C=C\C(O)=O HMDB0034439 [0,1,0,0,0,0|3,0,0]=4
27  B5R0.1  CC(=O)CC=C HMDB0031606 [0,1,0,0,0,0|3,0,0]=4
28  B5R0.1  CC(=O)OC=C HMDB0031209 [0,1,0,0,0,0|3,0,0]=4
29  B5R0.1  CC(C)=CC=O HMDB0012157 [0,1,0,0,0,0|3,0,0]=4
30  B5R0.1  CC(C)=CCO HMDB0030124 [0,1,0,0,0,0|3,0,0]=4
31  B5R0.1  CC(C)=CCS HMDB0031529 [0,1,0,0,0,0|3,0,0]=4
32  B5R0.3  C/C=C(/C)C=O HMDB0031512 [0,1,0,0,0,0|3,0,0]=4
33  B5R0.3  C/C=C(\C)CO HMDB0034465 [0,1,0,0,0,0|3,0,0]=4
34  B5R0.3  CC/C(C)=C/S HMDB0040347 [0,1,0,0,0,0|3,0,0]=4
35  B5R0.3  CCC(=O)C=C HMDB0031607 [0,1,0,0,0,0|3,0,0]=4
36  B5R0.3  COC(=O)C=C HMDB0033977 [0,1,0,0,0,0|3,0,0]=4
37  B5R0.5  CC(=C)C(C)=O HMDB0031530 [0,1,0,0,0,0|3,0,0]=4
38  B2R0.1  ClCCl HMDB0031548 [2,0,0,0,0,0|0,0,1]=3
39  B2R0.1  ClN=O HMDB0034825 [2,0,0,0,0,0|2,0,0]=4
40  B4R0.2  C/C=C/SO HMDB0031636 [1,1,0,0,0,0|2,0,0]=4
41  B4R0.2  C/C=C\C=O HMDB0034233 [1,1,0,0,0,0|2,0,0]=4
42  B4R0.2  C/C=C\CO HMDB0033858 [1,1,0,0,0,0|2,0,0]=4
43  B4R0.2  C=CSC=C HMDB0033922 [1,1,0,0,0,0|2,0,0]=4
44  B4R0.3  ClC(Cl)(Cl)Cl HMDB0031330 [1,1,0,0,0,0|0,0,1]=3
45  B4R0.3  ClP(Cl)(Cl)=O HMDB0034789 [1,1,0,0,0,0|1,0,0]=3
46  B4R0.3  FC(F)(Cl)Cl HMDB0029570 [1,1,0,0,0,0|0,1,1]=4