0  B2R0.1  CC=O HMDB0000990 [0,0,0,0,0,0|3,0,0]=3
1  B2R0.1  CSC HMDB0002303 [0,0,0,0,0,0|3,0,0]=3
2  B2R0.1  O=C=O HMDB0001967 [0,0,0,0,0,0|3,0,0]=3
3  B2R0.1  OC=O HMDB0000142 [0,0,0,0,0,0|3,0,0]=3
4  B1R0.1  C=O HMDB0001426 [1,0,0,0,0,0|2,0,0]=3
5  B1R0.1  CO HMDB0001875 [1,0,0,0,0,0|2,0,0]=3
6  B1R0.1  NN HMDB0012973 [1,0,0,0,0,0|2,0,0]=3
7  B1R0.1  NO HMDB0003338 [1,0,0,0,0,0|2,0,0]=3
8  B3R0.1  C(=O)CCl HMDB0013860 [0,1,0,0,0,0|2,0,0]=3
9  B3R0.1  C=CC=O HMDB0041822 [0,1,0,0,0,0|3,0,0]=4
10  B3R0.1  NCCN HMDB0031225 [0,1,0,0,0,0|3,0,0]=4
11  B3R0.2  CC(O)=O HMDB0000042 [0,1,0,0,0,0|3,0,0]=4
12  B0R0.1  C HMDB0002714 [2,0,0,0,0,0|0,0,0]=2
13  B0R0.1  [Br-] HMDB0002500 [2,0,0,0,0,0|0,0,0]=2
14  B0R0.1  [F-] HMDB0000662 [2,0,0,0,0,0|0,0,0]=2