0  B3R0.2  C(I)(I)I CM10958 [0,0,0,0,0,0|3,0,1]=4
1  B3R0.2  CC(=S)O CM13905 [0,0,0,0,0,0|0,1,0]=1
2  B3R0.2  CS(=O)[O-] CM13899 [0,0,0,0,0,0|1,0,1]=2
3  B2R0.1  C[Mg]Br CM14390 [1,0,0,0,0,0|2,0,0]=3
4  B4R0.1  CC=C(C)Br CM14455 [0,1,0,0,0,0|2,0,0]=3
5  B4R0.1  C[C@@H](CN)N CM14368 [0,1,0,0,0,0|2,0,1]=4
6  B4R0.1  C[C@H](CN)N CM14342 [0,1,0,0,0,0|2,0,1]=4
7  B3R0.1  C=CC=O CM11306 [1,1,0,0,0,0|0,0,1]=3
8  B5R0.1  C(C#N)C(=O)O CM10060 [0,2,0,0,0,0|0,0,0]=2
9  B5R0.1  CC#CC(=O)O CM10024 [0,2,0,0,0,0|0,0,0]=2
10  B5R0.1  CC(CCO)N CM14429 [0,2,0,0,0,0|1,0,1]=4
11  B5R0.4  CC(C)(C)C=O CM10011 [0,2,0,0,0,0|1,0,1]=4
12  B5R0.5  CC(C(=O)O)F CM13749 [0,2,0,0,0,0|0,0,0]=2
13  B5R1.2  C1C(=O)CO1 CM14220 [0,1,0,1,0,0|0,0,0]=2
14  B5R1.2  C1C(CN1)O CM14096 [0,1,0,1,0,0|1,0,1]=4
15  B5R1.2  C1C(CO1)I CM14229 [0,1,0,1,0,0|1,0,1]=4
16  B5R1.2  C1C(CO1)N CM14221 [0,1,0,1,0,0|1,0,1]=4
17  B5R1.2  C1C(CO1)O CM14219 [0,1,0,1,0,0|0,0,2]=4
18  B5R1.2  C1CC(=O)C1 CM14132 [0,1,0,1,0,0|1,0,0]=3