0  B9R0.45  NCCCCNCCCN T4893 [0,0,0,0,0,0|3,0,0]=3
1  B9R0.45  NCCCCNCCCN T5080 [0,0,0,0,0,0|3,0,0]=3
2  B9R0.45  OCCOCCOCCS T20973 [0,0,0,0,0,0|4,0,0]=4
3  B8R0.4  CCCCCCCCO T10024 [1,0,0,0,0,0|3,0,0]=4
4  B8R0.4  NCCCCCCCN T7998 [1,0,0,0,0,0|1,0,0]=2
5  B7R0.1  NCCCNCCS TQ0133 [2,0,0,0,0,0|1,0,0]=3
6  B9R0.2  CC(=O)NCCCCCN T5222 [1,1,0,0,0,0|1,0,1]=4