0  B6R1.2  CC1=CNN=C1 HMDB0015344 [0,0,0,0,0,0|0,0,0]=0
1  B5R1.1  N1C=CN=C1 HMDB0001525 [1,0,0,0,0,0|2,0,0]=3
2  B7R1.1  OCC1=CNN=C1 HMDB0060768 [0,1,0,0,0,0|0,0,0]=1
3  B7R1.4  CN1C=CNC1=S HMDB0014901 [0,1,0,0,0,0|2,0,0]=3
4  B4R0.1  CC(=O)NO HMDB0014691 [1,0,1,0,0,0|2,0,0]=4
5  B4R0.1  CC(O)=NN HMDB0060428 [1,0,1,0,0,0|1,0,0]=3
6  B4R0.2  C/C=C\C=O HMDB0034233 [1,0,1,0,0,0|2,0,0]=4
7  B8R1.2  OCC1=CC=CC=C1 HMDB0003119 [0,1,0,0,0,1|2,0,0]=4
8  B8R1.5  OC1=CNC=CC1=N HMDB0060741 [0,1,0,0,0,1|2,0,0]=4
9  B8R1.7  OC(=O)C1=CNN=C1 HMDB0060760 [0,2,0,0,0,0|0,0,1]=3
10  B8R1.8  NCCC1=CC=NN1 HMDB0014417 [0,2,0,0,0,0|2,0,0]=4
11  B8R1.8  NCCC1=CN=CN1 HMDB0014805 [0,2,0,0,0,0|2,0,0]=4