0  B6R0.5  C[N+](C)(C)CCO HMDB0000097 [1,1,0,0,0,0|1,0,0]=3
1  B8R0.2  CC[C@H](C)[C@H](N)C(O)=O HMDB0000172 [0,2,0,0,0,0|0,0,1]=3