0  B8R0.4  CCOCCOCCO D08904 [0,0,0,0,0,0|2,0,1]=3
1  B9R0.2  CCCCCCCC(=O)O D05220 [0,1,0,0,0,0|0,0,3]=4
2  B6R0.6  OCCNCCO D02337 [2,0,0,0,0,0|2,0,0]=4