0  B3R0.1  C=CC=C HMDB0041792 [0,0,0,0,0,0|2,0,2]=4
1  B3R0.1  C=CC=O HMDB0041822 [0,0,0,0,0,0|1,0,3]=4
2  B2R0.1  OC=O HMDB0000142 [1,0,0,0,0,0|1,0,1]=3
3  B1R0.1  CO HMDB0001875 [2,0,0,0,0,0|0,0,0]=2