0  B6R0.6  C#CCOCCN BIPG1722 [0,0,0,0,0,0|2,0,1]=3
1  B5R0.2  NCCCCN BIB6265 [1,0,0,0,0,0|0,0,0]=1
2  B5R0.2  NCCCCN BIP0733 [1,0,0,0,0,0|0,0,0]=1