0  B11R0.3  OCCCCCCCCCCO BCP04147 [0,0,0,0,0,0|1,0,3]=4
1  B10R0.71  BrCCCCCCCCCO BCP12992 [1,0,0,0,0,0|1,0,2]=4
2  B9R0.45  SCCCCCCCCS BCP08455 [2,0,0,0,0,0|1,1,0]=4
3  B13R0.336  C=CCNCCCCCCCCCC BCP08897 [0,2,0,0,0,0|1,0,1]=4