0  B8R0.21  CC(C)(S)CCOC=O      AK297149 [0,0,0,0,0,0|0,0,0]=0
1  B9R0.56  CC(=O)SCC[N+](C)(C)C      AK-47972 [0,1,0,0,0,0|2,1,0]=4
2  B9R0.56  C[N+](C)(C)CCOC(C)=O      AK307467 [0,1,0,0,0,0|2,0,0]=3
3  B9R1.66  O=C1CC(C)(C)CCC1      AK-77355 [0,0,0,1,0,0|2,0,0]=3
4  B9R1.66  O=C1CC(C)(C)NCC1      AK158739 [0,0,0,1,0,0|3,0,0]=4
5  B9R1.66  O=C1CC(C)(C)OCC1      AK-25320 [0,0,0,1,0,0|3,0,0]=4
6  B9R1.133  O=C[C@H]1OC(C)(C)OC1      AK142723 [0,0,0,1,0,0|2,1,0]=4
7  B6R0.6  ClCCCCC=O      AK110863 [2,0,0,0,0,0|2,0,0]=4
8  B6R0.6  O=CCCCCO      AK-40206 [2,0,0,0,0,0|1,1,0]=4
9  B6R0.5  CC(C)(N)CCO      AK146046 [2,0,0,0,0,0|1,0,0]=3
10  B8R0.28  O=C(O)CCCN(C)C      AK-50053 [1,1,0,0,0,0|2,0,0]=4
11  B8R0.29  CC(C)(C)OCC(O)=O      AK-57788 [1,1,0,0,0,0|2,0,0]=4
12  B8R0.29  O=C(O)CNC(C)(C)C      AK-75739 [1,1,0,0,0,0|2,0,0]=4
13  B8R1.4  CN1CCOC(=O)C1      AK-33826 [1,0,0,1,0,0|1,0,0]=3
14  B8R1.4  NC1CCNC(C1)=O      AK-26117 [1,0,0,1,0,0|2,0,0]=4
15  B8R1.4  O=C1CC(C)NCC1      AK-45778 [1,0,0,1,0,0|2,0,0]=4
16  B8R1.4  O=C1NCCC(O)C1      AK-27778 [1,0,0,1,0,0|1,1,0]=4
17  B8R1.4  O=C1NCCN(C)C1      AK-77137 [1,0,0,1,0,0|2,0,0]=4
18  B8R1.4  O=C1NCC[C@H](O)C1      AK-86160 [1,0,0,1,0,0|1,1,0]=4
19  B8R1.51  CC1(C)CCC(=O)N1      AK-90081 [1,0,0,1,0,0|1,0,0]=3
20  B8R1.51  O=C1NCC(C)(C)C1      AK118621 [1,0,0,1,0,0|2,0,0]=4
21  B8R1.51  O=C1OC(C)(C)CC1      AK-44637 [1,0,0,1,0,0|0,1,0]=3
22  B10R1.329  O=C1CC(C)(C)CC(C)C1      AK122426 [0,1,0,1,0,0|2,0,0]=4
23  B10R1.350  O=C(O)CCCC1(C)CC1      AK137230 [0,1,0,1,0,0|2,0,0]=4
24  B10R2.534  O=C1CCCC2(N1)CC2      AK205259 [0,0,0,2,0,0|2,0,0]=4