0  B13R0.54  CCCCCCCCCCCC(=O)O D10714 [0,0,1,0,0,0|0,0,0]=1
1  B12R0.234  C=CCCCCCCCCC(=O)O D02159 [1,0,1,0,0,0|0,0,2]=4
2  B12R0.248  CCCCCCCCCC(=O)NO D01443 [1,0,1,0,0,0|2,0,0]=4