0  B6R0.4  CCNCC(C)C AIFCHEM-94537422162 [0,0,0,0,0,0|2,0,2]=4
1  B8R0.9  CC(C)CNC(=O)CO AIFCHEM-94532683064 [0,2,0,0,0,0|1,0,1]=4