0  B10R1.17  CNCCC1=CC=CC=N1 HMDB0015644 [0,0,0,0,0,0|2,0,0]=2
1  B10R1.17  NNCCC1=CC=CC=C1 HMDB0014918 [0,0,0,0,0,0|2,0,0]=2
2  B9R1.8  NCCC1=CC=CC=C1 HMDB0012275 [1,0,0,0,0,0|1,0,0]=2
3  B11R1.40  CN[C@@H](C)CC1=CC=CC=C1 HMDB0015517 [0,1,0,0,0,0|1,0,0]=2
4  B11R1.91  O=C(O)CCC1=CC=CC=C1 HMDB0000764 [0,1,0,0,0,0|2,0,0]=3
5  B11R2.4  N[C@@H]1CC1C2=CC=CC=C2 HMDB0014890 [0,0,0,1,0,0|2,0,0]=3
6  B8R1.2  COC1=CC=CC=C1 HMDB0033895 [2,0,0,0,0,0|0,0,0]=2
7  B8R1.2  NCC1=CC=CC=C1 HMDB0033871 [2,0,0,0,0,0|1,0,0]=3
8  B10R1.1  NCCC1=CC=C(O)C=C1 HMDB0000306 [1,1,0,0,0,0|1,0,0]=3
9  B10R1.1  OCCC1=CC=C(O)C=C1 HMDB0004284 [1,1,0,0,0,0|0,0,0]=2
10  B10R1.10  NCCC1=CC(O)=CC=C1 HMDB0004989 [1,1,0,0,0,0|1,0,0]=3
11  B10R1.18  CC(N)CC1=CC=CC=C1 HMDB0014328 [1,1,0,0,0,0|0,0,0]=2
12  B10R1.18  C[C@H](N)CC1=CC=CC=C1 HMDB0015516 [1,1,0,0,0,0|0,0,0]=2
13  B10R1.18  O=C(O)CC1=CC=CC=C1 HMDB0000209 [1,1,0,0,0,0|0,0,1]=3
14  B10R1.18  O=C(O)CC1=CC=CC=N1 HMDB0060722 [1,1,0,0,0,0|1,0,1]=4
15  B10R1.21  CCCCCC1=CC=CO1 HMDB0013824 [0,1,0,0,1,0|2,0,0]=4
16  B12R1.16  CNCC(O)C1=CC=C(O)C=C1 HMDB0004826 [0,2,0,0,0,0|1,0,0]=3
17  B12R1.21  O=C(O)CCC1=CC=C(O)C=C1 HMDB0002199 [0,2,0,0,0,0|2,0,0]=4
18  B12R1.49  CNC(C)CC1=CC=C(O)C=C1 HMDB0060767 [0,2,0,0,0,0|1,0,0]=3
19  B12R1.17  CNC[C@H](O)C1=CC(O)=CC=C1 HMDB0002182 [0,2,0,0,0,0|1,0,0]=3
20  B12R1.34  CN[C@@H](C)[C@H](O)C1=CC=CC=C1 HMDB0015451 [0,2,0,0,0,0|1,0,0]=3
21  B12R1.226  O=C(O)CCC1=CC=CC(O)=C1 HMDB0000375 [0,2,0,0,0,0|2,0,0]=4
22  B12R1.32  C#CCN(C)CC1=CC=CC=C1 HMDB0015563 [0,2,0,0,0,0|1,0,1]=4
23  B12R1.43  N[C@@H](CC1=CC=CC=C1)C(=O)O HMDB0000159 [0,2,0,0,0,0|2,0,0]=4
24  B12R1.43  O=C(O)C(O)CC1=CC=CC=C1 HMDB0000779 [0,2,0,0,0,0|2,0,0]=4
25  B12R1.194  CNC(C)(C)CC1=CC=CC=C1 HMDB0015452 [0,2,0,0,0,0|1,0,0]=3
26  B10R2.7  C1=CC=C2C(=C1)OCC2 HMDB0013815 [1,0,0,1,0,0|0,0,0]=2
27  B12R2.2  C1=CN=CC(C2CCCN2)=C1 HMDB0001126 [0,1,0,1,0,0|2,0,0]=4