0  B3R0.2  CB(O)O BB55-7799 [0,0,0,0,0,0|2,0,1]=3
1  B4R0.1  CC(=O)NN BB01-6190 [0,1,0,0,0,0|3,0,0]=4
2  B4R0.1  CC(O)C#N BB58-1312 [0,1,0,0,0,0|3,0,0]=4
3  B4R0.1  CCS(=O)[O-] BB58-0194 [0,1,0,0,0,0|2,0,0]=3
4  B4R0.1  COC(=S)[S-] BB57-1615 [0,1,0,0,0,0|1,2,0]=4
5  B4R0.1  NC(=O)CO BB58-4485 [0,1,0,0,0,0|2,0,0]=3
6  B4R0.1  NC(=O)NO BB58-1684 [0,1,0,0,0,0|2,0,0]=3
7  B4R0.1  O=[N+]([O-])CBr BB57-6706 [0,1,0,0,0,0|1,0,0]=2
8  B4R0.3  NS(N)(=O)=O BB53-1266 [0,1,0,0,0,0|2,0,1]=4
9  B5R0.3  C#CC(=O)OC BB53-1265 [0,2,0,0,0,0|2,0,0]=4
10  B5R0.3  COC(=O)CN BB17-0807 [0,2,0,0,0,0|2,0,0]=4
11  B5R0.3  COC(=O)NN BB17-2415 [0,2,0,0,0,0|2,0,0]=4
12  B5R0.4  O=S(=O)([O-])CI BB58-4626 [0,2,0,0,0,0|1,0,1]=4