0  B22R0.678695  CCCCCCCCCC[N+](C)(C)CCCCCCCCCC MCULE-7743935139 [0,0,0,0,0,0|0,0,0]=0
1  B22R0.678695  CCCCCCCCCC[N+](C)(C)CCCCCCCCCC MCULE-8675285977 [0,0,0,0,0,0|0,0,0]=0
2  B22R0.678695  CCCCCCCCCC[N+](C)(C)CCCCCCCCCC MCULE-9525487385 [0,0,0,0,0,0|0,0,0]=0
3  B21R0.18592  CCCCCCCCCCC(=O)CCCCCCCCCC MCULE-1272860747 [1,0,0,0,0,0|2,0,0]=3
4  B21R0.18592  CCCCCCCCCCC(O)CCCCCCCCCC MCULE-1001180406 [1,0,0,0,0,0|2,0,0]=3
5  B21R0.18592  CCCCCCCCCCN(C)CCCCCCCCCC MCULE-8151829268 [1,0,0,0,0,0|0,0,1]=2
6  B21R0.18592  CCCCCCCCCCS(=O)CCCCCCCCCC MCULE-4177520989 [1,0,0,0,0,0|2,0,0]=3
7  B21R0.32493  CCCCCCCCCC[N+](C)(C)CCOCCOCCCl MCULE-2389812082 [1,0,0,0,0,0|3,0,0]=4
8  B21R0.32493  CCCCCCCCCC[N+](C)(C)CCOCCOCCCl MCULE-6549054637 [1,0,0,0,0,0|3,0,0]=4
9  B20R0.2932  CCCCCCCCCCCCCCCCCCCCBr MCULE-7868045769 [2,0,0,0,0,0|2,0,0]=4
10  B20R0.2932  CCCCCCCCCCCCCCCCCCCCC MCULE-3230962872 [2,0,0,0,0,0|1,0,0]=3
11  B20R0.2932  CCCCCCCCCCCCCCCCCCCCCl MCULE-6684617118 [2,0,0,0,0,0|2,0,0]=4
12  B20R0.2932  CCCCCCCCCCCCCCCCCCCCN MCULE-6786366889 [2,0,0,0,0,0|2,0,0]=4
13  B20R0.2932  CCCCCCCCCCCCCCCCCCCCO MCULE-7922551976 [2,0,0,0,0,0|2,0,0]=4
14  B20R0.2932  CCCCCCCCCCCCCCCCCCCCS MCULE-8563857815 [2,0,0,0,0,0|2,0,0]=4
15  B20R0.2932  CCCCCCCCCCCCCCCCNCCCC MCULE-4030338906 [2,0,0,0,0,0|2,0,0]=4
16  B20R0.2932  CCCCCCCCCCNCCCCCCCCCC MCULE-4175489428 [2,0,0,0,0,0|0,0,1]=3
17  B20R0.2932  CCCCCCCCCCNCCCCCCCCCC MCULE-9414456668 [2,0,0,0,0,0|0,0,1]=3
18  B20R0.2932  CCCCCCCCCCOCCCCCCCCCC MCULE-3236292237 [2,0,0,0,0,0|1,0,0]=3
19  B20R0.2932  CCCCCCCCCCSCCCCCCCCCC MCULE-5643913334 [2,0,0,0,0,0|1,0,0]=3
20  B20R0.2932  [NH2+](CCCC)CCCCCCCCCCCCCCCC MCULE-7372521878 [2,0,0,0,0,0|2,0,0]=4
21  B20R0.28543  CCCCCCCCCC[N+](C)(C)CCCCCCCC MCULE-5395377961 [2,0,0,0,0,0|0,0,0]=2
22  B20R0.28543  CCCCCCCCCC[N+](C)(C)CCCCCCCC MCULE-8777887500 [2,0,0,0,0,0|0,0,0]=2
23  B22R0.714319  CCCCCCCCCCC(CBr)CCCCCCCCCC MCULE-7501225212 [1,1,0,0,0,0|1,0,0]=3
24  B24R0.469244  CCCCCCCCCCC(CO)(CO)CCCCCCCCCC MCULE-3113732891 [0,2,0,0,0,0|1,0,0]=3
25  B24R0.469244  CCCCCCCCCCC(CS)(CS)CCCCCCCCCC MCULE-2114023908 [0,2,0,0,0,0|1,0,0]=3