0  B4R0.1  CC=C(C)Br CM14455 [0,0,0,0,0,0|2,0,0]=2
1  B4R0.1  C[C@@H](CN)N CM14368 [0,0,0,0,0,0|2,0,2]=4
2  B4R0.1  C[C@H](CN)N CM14342 [0,0,0,0,0,0|2,0,2]=4
3  B3R0.1  C=CC=O CM11306 [1,0,0,0,0,0|0,0,1]=2
4  B3R0.2  CC(=S)O CM13905 [1,0,0,0,0,0|0,1,1]=3
5  B3R0.2  CS(=O)[O-] CM13899 [1,0,0,0,0,0|1,0,1]=3
6  B5R0.1  C(C#N)C(=O)O CM10060 [0,1,0,0,0,0|2,0,1]=4
7  B5R0.1  CC#CC(=O)O CM10024 [0,1,0,0,0,0|2,0,1]=4
8  B5R0.4  CC(C)(C)C=O CM10011 [0,1,0,0,0,0|1,0,1]=3
9  B5R0.5  CC(C(=O)O)F CM13749 [0,1,0,0,0,0|1,0,1]=3
10  B5R1.2  C1C(=O)CO1 CM14220 [0,0,0,1,0,0|0,0,2]=3
11  B5R1.2  C1CC(=O)C1 CM14132 [0,0,0,1,0,0|1,0,1]=3
12  B2R0.1  C[Mg]Br CM14390 [2,0,0,0,0,0|2,0,0]=4
13  B6R0.3  CCC(C(=O)N)N CM11025 [0,2,0,0,0,0|1,0,1]=4
14  B6R0.4  CC(=O)C=COC CM11079 [0,2,0,0,0,0|0,0,1]=3
15  B6R1.2  Cc1cc[nH]n1 CM14373 [0,1,0,1,0,0|2,0,0]=4
16  B6R1.2  c1co[nH]c1=O CM10160 [0,1,0,1,0,0|1,0,1]=4
17  B6R1.11  C1CC1C(=O)Cl CM13883 [0,1,0,1,0,0|1,0,1]=4