0  B4R0.1  CC(S)CS BBC/795 [0,1,0,0,0,0|0,0,0]=1
1  B4R0.1  CSC(=N)N BBC/264 [0,1,0,0,0,0|2,0,1]=4
2  B4R0.1  C\C(N)=N/O BBC/503 [0,1,0,0,0,0|1,1,1]=4
3  B4R0.1  NCC(=O)[O-] BBC/598 [0,1,0,0,0,0|1,1,1]=4
4  B4R0.1  O=C(O)CO BBC/181 [0,1,0,0,0,0|1,1,1]=4
5  B3R0.2  CC(=O)[O-] BBC/813 [1,1,0,0,0,0|0,1,1]=4
6  B5R0.1  CC(=O)NCO BBC/282 [0,2,0,0,0,0|0,1,1]=4
7  B5R0.1  O=C(O)CCBr BBC/178 [0,2,0,0,0,0|0,1,1]=4
8  B5R0.3  CNC(=O)CBr BBC/195 [0,2,0,0,0,0|1,0,1]=4
9  B5R0.2  CC\C=C\CC BBC/270 [0,2,0,0,0,0|1,0,0]=3
10  B5R0.2  CNCCOC BBB/960 [0,2,0,0,0,0|0,1,0]=3
11  B5R1.2  OC1CNC1 BBC/642 [0,1,0,1,0,0|0,1,0]=3