0  B2R0.1  C(I)I 9405 [0,0,0,0,0,0|2,0,1]=3
1  B2R0.1  CCI 10444 [0,0,0,0,0,0|2,0,1]=3
2  B2R0.1  CON 6780 [0,0,0,0,0,0|3,0,0]=3
3  B1R0.1  F[Ag] 6131 [1,0,0,0,0,0|2,0,0]=3
4  B3R0.1  C#CCCl 10536 [0,1,0,0,0,0|2,0,1]=4
5  B3R0.1  C#CCN 9972 [0,1,0,0,0,0|2,0,1]=4
6  B3R0.1  C(C#N)Br 6017 [0,1,0,0,0,0|2,0,1]=4
7  B3R0.1  C(CI)F 10671 [0,1,0,0,0,0|2,0,1]=4
8  B3R0.1  C(CO)O 5930 [0,1,0,0,0,0|0,0,3]=4
9  B3R0.1  CNOC 5044 [0,1,0,0,0,0|2,0,1]=4
10  B3R0.2  C(=N)(N)N G0028 [0,1,0,0,0,0|2,0,1]=4
11  B3R0.2  C(=N)(N)N G0029 [0,1,0,0,0,0|2,0,1]=4
12  B3R0.2  C(=O)(O)O 5809 [0,1,0,0,0,0|0,0,2]=3
13  B3R0.2  C(=O)([O-])[O-] 8816 [0,1,0,0,0,0|0,0,2]=3
14  B3R0.2  CC(Cl)Cl 6701 [0,1,0,0,0,0|2,0,1]=4
15  B3R0.2  CS(=O)O 5013 [0,1,0,0,0,0|1,0,1]=3
16  B4R0.1  C(=O)(N)NN 5932 [0,2,0,0,0,0|1,0,1]=4
17  B4R0.1  C(=O)(N)NO 10448 [0,2,0,0,0,0|0,0,2]=4
18  B4R0.1  C(C(=O)N)Br 9173 [0,2,0,0,0,0|1,0,1]=4
19  B4R0.1  C(C(=O)N)Cl 6815 [0,2,0,0,0,0|1,0,1]=4
20  B4R0.1  C(C(=O)N)N 5258 [0,2,0,0,0,0|1,0,1]=4
21  B4R0.1  C(C(=O)O)Cl 8290 [0,2,0,0,0,0|0,0,2]=4
22  B4R0.1  C(C(=O)O)O G0026 [0,2,0,0,0,0|0,0,2]=4
23  B4R0.1  CCC(=O)N 8889 [0,2,0,0,0,0|1,0,1]=4
24  B4R0.1  CCS(=O)[O-] 8969 [0,2,0,0,0,0|1,0,1]=4
25  B4R0.3  NS(=O)(=O)N 9906 [0,2,0,0,0,0|1,0,0]=3