0  B7R0.4  CN(C)CCCC#N      AK-59094 [0,0,0,0,0,0|3,0,1]=4
1  B6R0.4  CC(C)NCCCl      AK110294 [1,0,0,0,0,0|2,0,1]=4
2  B6R0.4  CC(C)OCCBr      AK110255 [1,0,0,0,0,0|2,0,1]=4
3  B6R0.4  CN(C)CCCBr      AK-35747 [1,0,0,0,0,0|2,0,1]=4
4  B6R0.4  CN(C)CCCCl      AK-25287 [1,0,0,0,0,0|2,0,1]=4
5  B6R0.4  CN(C)CCCCl      AK113440 [1,0,0,0,0,0|2,0,1]=4
6  B6R0.4  CN(CCNC)C      AK-64867 [1,0,0,0,0,0|1,0,2]=4
7  B8R0.21  CC(C)(S)CCOC=O      AK297149 [0,1,0,0,0,0|1,1,1]=4
8  B8R1.72  CC1(C)CCNCC1      AK116331 [0,0,0,1,0,0|1,0,2]=4
9  B5R0.1  CC(N)CCO      AK-81869 [2,0,0,0,0,0|1,1,0]=4
10  B5R0.1  CN(CCBr)C      AK-35597 [2,0,0,0,0,0|2,0,0]=4
11  B5R0.1  C[C@@H](N)CCC      AK608015 [2,0,0,0,0,0|1,0,1]=4
12  B5R0.1  C[C@@H](N)CCO      AK-41725 [2,0,0,0,0,0|1,1,0]=4
13  B5R0.1  C[C@@H](O)CCO      AK-86774 [2,0,0,0,0,0|1,1,0]=4
14  B5R0.1  C[C@H](N)CCC      AK171191 [2,0,0,0,0,0|1,0,1]=4
15  B5R0.1  C[C@H](N)CCO      AK-41726 [2,0,0,0,0,0|1,1,0]=4
16  B5R0.1  NOCC(C)C      AK-83418 [2,0,0,0,0,0|1,0,1]=4
17  B5R0.2  NOCCCC      AK-85835 [2,0,0,0,0,0|2,0,0]=4
18  B7R0.2  N[C@@H](CC(C)C)CO      AK-47555 [1,1,0,0,0,0|0,1,1]=4
19  B7R0.2  N[C@H](CC(C)C)CO      AK-43973 [1,1,0,0,0,0|0,1,1]=4
20  B7R1.3  C[C@@H]1CNCCC1      AK141528 [1,0,0,1,0,0|1,0,1]=4
21  B7R1.3  C[C@H]1CNCCC1      AK-93998 [1,0,0,1,0,0|1,0,1]=4
22  B7R1.14  CC1(C)NCCC1      AK-76555 [1,0,0,1,0,0|1,0,1]=4