0  B9R0.45  NCCCCNCCCN 124-20-9 [0,0,0,0,0,0|3,0,0]=3
1  B8R0.4  NCCCNCCCN 56-18-8 [1,0,0,0,0,0|2,0,0]=3
2  B9R0.2  CC(=O)NCCCCCN 32343-73-0 [1,1,0,0,0,0|1,0,1]=4