0  B4R0.1  CC=C(C)Br CM14455 [1,0,0,0,0,0|1,0,0]=2
1  B6R0.3  CCC(C(=O)N)N CM11025 [0,1,0,0,0,0|1,0,2]=4
2  B6R1.2  Cc1cc[nH]n1 CM14373 [0,0,0,1,0,0|2,0,1]=4
3  B6R1.2  Cn1cnnc1 CM10040 [0,0,0,1,0,0|3,0,0]=4
4  B6R1.2  c1c(cn[nH]1)Br CM10025 [0,0,0,1,0,0|3,0,0]=4
5  B3R0.1  C=CC=O CM11306 [2,0,0,0,0,0|0,0,0]=2
6  B3R0.2  CC(=S)O CM13905 [2,0,0,0,0,0|1,0,1]=4
7  B3R0.2  CS(=O)[O-] CM13899 [2,0,0,0,0,0|2,0,0]=4
8  B5R0.1  CC#CC(=O)O CM10024 [1,1,0,0,0,0|1,0,1]=4
9  B5R0.4  CC(C)(C)C=O CM10011 [1,1,0,0,0,0|0,0,1]=3
10  B5R0.5  CC(C(=O)O)F CM13749 [1,1,0,0,0,0|1,0,1]=4
11  B5R0.2  C(C=CCCl)Cl CM14478 [1,1,0,0,0,0|1,0,1]=4
12  B5R0.2  C(C=CCCl)Cl CM14479 [1,1,0,0,0,0|1,0,1]=4
13  B5R0.2  C(C=CCCl)O CM14462 [1,1,0,0,0,0|0,0,2]=4
14  B5R1.2  C1C(=O)CO1 CM14220 [1,0,0,1,0,0|1,0,1]=4
15  B5R1.2  C1CC(=O)C1 CM14132 [1,0,0,1,0,0|0,0,1]=3
16  B5R1.1  C1C=CCN1 CM14480 [1,0,0,1,0,0|1,0,1]=4
17  B7R1.1  c1c(nc[nH]1)C=O CM14068 [0,1,0,1,0,0|1,0,1]=4
18  B7R1.1  c1cc([nH]c1)C=O CM13861 [0,1,0,1,0,0|0,0,2]=4
19  B7R1.2  Cc1cc(on1)C CM14486 [0,1,0,1,0,0|1,0,1]=4
20  B7R1.2  Cc1ncc(s1)I CM10702 [0,1,0,1,0,0|2,0,0]=4
21  B7R1.2  Cn1cc(cn1)Br CM14274 [0,1,0,1,0,0|2,0,0]=4
22  B7R1.4  Cc1cscc1Br CM10703 [0,1,0,1,0,0|0,1,1]=4
23  B7R1.18  C1CC(C1)C(=O)O CM11089 [0,1,0,1,0,0|0,0,2]=4