0  B5R0.2  C(CC#N)CBr AS05812 [0,0,0,0,0,0|2,0,1]=3
1  B5R0.2  C(CCBr)CBr AS03526 [0,0,0,0,0,0|2,0,0]=2
2  B5R0.2  C(CCI)CI AS02133 [0,0,0,0,0,0|2,0,0]=2
3  B5R0.2  CCCCCI AS02280 [0,0,0,0,0,0|1,0,0]=1
4  B4R0.2  C#CCCO AS06900 [1,0,0,0,0,0|0,0,2]=3
5  B4R0.2  C(CI)CI AS02145 [1,0,0,0,0,0|2,0,0]=3
6  B4R0.2  CCCCBr AS03109 [1,0,0,0,0,0|1,0,0]=2
7  B4R0.2  CCCCI AS02224 [1,0,0,0,0,0|1,0,0]=2
8  B4R0.2  CCN=C=O AS04390 [1,0,0,0,0,0|1,0,2]=4
9  B4R0.2  CNCC#C AS02457 [1,0,0,0,0,0|1,0,2]=4
10  B4R0.2  COCC#N AS05866 [1,0,0,0,0,0|2,0,1]=4
11  B6R0.4  C(CC(=O)O)CBr AS03111 [0,1,0,0,0,0|1,0,1]=3
12  B6R0.6  C(CCBr)CCBr AS03580 [0,1,0,0,0,0|1,0,0]=2
13  B6R0.6  C(CCI)CCI AS02144 [0,1,0,0,0,0|1,0,0]=2
14  B6R0.6  CCCCCCBr AS03338 [0,1,0,0,0,0|1,0,0]=2
15  B6R0.6  CCCCCCI AS02232 [0,1,0,0,0,0|1,0,0]=2
16  B6R0.6  CCCCCOC AS01005 [0,1,0,0,0,0|0,0,0]=1
17  B6R1.3  C1CC1CC#N AS06097 [0,0,0,1,0,0|1,0,1]=3
18  B6R1.3  C1CC1CCO AS06009 [0,0,0,1,0,0|0,0,0]=1
19  B3R0.1  CCCI AS02290 [2,0,0,0,0,0|1,0,0]=3
20  B5R0.1  CC(C)CCBr AS03680 [1,1,0,0,0,0|1,0,0]=3
21  B5R0.1  CC(C)CCI AS02269 [1,1,0,0,0,0|1,0,0]=3
22  B5R0.1  CC(CCBr)Br AS03525 [1,1,0,0,0,0|1,0,0]=3
23  B7R0.3  CCCCC(CBr)Br AS03557 [0,2,0,0,0,0|1,0,0]=3
24  B7R0.4  C(CCBr)CC(=O)O AS03476 [0,2,0,0,0,0|0,0,1]=3
25  B7R0.1  C(CCCBr)CCBr AS03558 [0,2,0,0,0,0|1,0,0]=3
26  B7R0.1  C(CCCI)CCI AS02139 [0,2,0,0,0,0|1,0,0]=3
27  B7R0.1  CCCCCCCBr AS03337 [0,2,0,0,0,0|1,0,0]=3
28  B7R0.1  CCCCCCCI AS02231 [0,2,0,0,0,0|1,0,0]=3
29  B7R0.1  CCCCCCOC AS00996 [0,2,0,0,0,0|0,0,0]=2
30  B7R0.1  CCCCCOCC AS02569 [0,2,0,0,0,0|0,0,0]=2
31  B5R1.3  C1CC1CBr AS05964 [1,0,0,1,0,0|1,0,0]=3
32  B7R1.1  C1CCC(C1)C#N AS05826 [0,1,0,1,0,0|1,0,0]=3
33  B7R1.22  C1CC1C(=O)CBr AS05252 [0,1,0,1,0,0|1,0,1]=4
34  B7R1.14  C1COS(=O)(=O)C1 AS01254 [0,1,0,1,0,0|2,0,0]=4
35  B7R1.20  C1CC1CC(=O)O AS06096 [0,1,0,1,0,0|0,0,1]=3