0  B10R0.3  CCOC(=O)CCCC(C)=C      AK103346 [0,0,0,0,0,0|2,0,2]=4
1  B9R0.5  C(C(OCC)=O)CCCBr      AK-46515 [1,0,0,0,0,0|3,0,0]=4
2  B9R0.5  NCCCCC(=O)OCC      AK-41723 [1,0,0,0,0,0|3,0,0]=4
3  B9R0.5  O=C(OCCCC)CC#N      AK109261 [1,0,0,0,0,0|1,0,1]=3
4  B9R0.48  CC(CCC(OCC)=O)=O      AK109266 [0,0,0,0,1,0|2,0,1]=4
5  B8R0.6  C(Cl)C(=O)NCCCC      AK-59895 [2,0,0,0,0,0|2,0,0]=4
6  B8R0.7  CC(O)CCCCCC      AK113715 [2,0,0,0,0,0|1,0,1]=4
7  B8R0.7  C[C@@H](O)CCCCCC      AK115983 [2,0,0,0,0,0|1,0,1]=4
8  B8R0.1  CCOC(=O)CCCI      AK102411 [2,0,0,0,0,0|2,0,0]=4
9  B8R0.1  CCOC(=O)CCCN      AK-47111 [2,0,0,0,0,0|2,0,0]=4
10  B8R0.1  O=C(OCC)CCCBr      AK-41609 [2,0,0,0,0,0|2,0,0]=4
11  B10R0.1  CCOC(=O)CCCCCBr      AK111109 [1,1,0,0,0,0|2,0,0]=4
12  B10R0.1  O=C(OCC)CCCCCN      AK145590 [1,1,0,0,0,0|2,0,0]=4
13  B10R0.19  O=C(C(=O)OCC)CCCC      AK-46512 [1,1,0,0,0,0|2,0,0]=4
14  B10R0.26  C(=O)(CC(=O)C(C)C)OCC      AK-73120 [0,1,0,0,1,0|1,0,1]=4
15  B10R0.32  CC(C)CC(N)C(OCC)=O      AK153054 [0,1,0,0,1,0|1,0,0]=3
16  B10R0.32  [C@H](N)(CC(C)C)C(=O)OCC      AK-49643 [0,1,0,0,1,0|1,0,0]=3
17  B12R0.3  CC(C)CC(CC(CC(C)C)=O)=O      AK141831 [0,2,0,0,0,0|1,0,1]=4
18  B10R1.13  CN(C)C1CCC(=O)CC1      AK-44354 [1,0,0,1,0,0|2,0,0]=4
19  B10R1.138  [C@H]1(OC1)COC(=O)CCC      AK-73004 [1,0,0,1,0,0|1,0,0]=3
20  B10R1.140  O=C(C1CC(O)C1)OCC      AK-51687 [0,0,0,1,1,0|2,0,0]=4
21  B10R1.140  O=C([C@H]1C[C@@H](N)C1)OCC      AK132734 [0,0,0,1,1,0|2,0,0]=4
22  B12R1.17  O=C([C@@H]1NCC[C@@H](C)C1)OCC      AK-36285 [0,0,0,1,0,1|2,0,0]=4
23  B12R1.310  CCOC(=O)CCCNC1CC1      AK-82221 [0,0,0,1,0,1|2,0,0]=4
24  B8R0.5  C(=O)(NC(C)C)CCC      AK-95275 [0,0,0,0,2,0|1,0,0]=3
25  B8R0.5  C(C(OCC)=O)C(C)O      AK-73006 [0,0,0,0,2,0|2,0,0]=4
26  B8R0.5  CCOC(=O)OC(C)Cl      AK109787 [0,0,0,0,2,0|2,0,0]=4
27  B8R0.5  O[C@@H](CC(=O)OCC)C      AK-44441 [0,0,0,0,2,0|2,0,0]=4