0  B9R0.45  C=CCCCCCCCBr      AK161876 [0,0,0,0,0,0|2,0,2]=4
1  B9R0.45  C=CCCCCCCCCl      AK164575 [0,0,0,0,0,0|2,0,2]=4
2  B9R0.45  CCCCCCCCCBr      AK164444 [0,0,0,0,0,0|1,0,3]=4
3  B8R0.4  C=CCCCCCCCl      AK164503 [1,0,0,0,0,0|2,0,1]=4
4  B10R0.1  CCOC(=O)CCCCCBr      AK111109 [0,1,0,0,0,0|2,0,1]=4
5  B10R0.1  O=C(OCC)CCCCCN      AK145590 [0,1,0,0,0,0|2,0,1]=4
6  B10R0.4  O=C(O)CCCCCCCBr      AK-33752 [0,1,0,0,0,0|1,0,2]=4
7  B10R0.4  O=C(O)CCCCCCCN      AK-45259 [0,1,0,0,0,0|1,0,2]=4
8  B10R0.71  C=CCCCCCCCCBr      AK-48406 [0,1,0,0,0,0|1,0,2]=4
9  B7R0.1  C=CCCCCCBr      AK-40908 [2,0,0,0,0,0|1,0,1]=4
10  B7R0.1  C=CCCCCNC      AK142907 [2,0,0,0,0,0|2,0,0]=4
11  B9R0.2  C=CCCCCCC(O)=O      AK164507 [1,1,0,0,0,0|0,0,2]=4
12  B9R0.2  O=C(O)CCCCCCN      AK-47536 [1,1,0,0,0,0|1,0,1]=4
13  B9R0.2  OC(=O)CCCCCCBr      AK-28585 [1,1,0,0,0,0|1,0,1]=4
14  B9R0.2  OCCCCCCC(O)=O      AK-29232 [1,1,0,0,0,0|1,0,1]=4
15  B9R0.5  C(C(OCC)=O)CCCBr      AK-46515 [1,1,0,0,0,0|2,0,0]=4
16  B9R0.5  NCCCCC(=O)OCC      AK-41723 [1,1,0,0,0,0|2,0,0]=4
17  B11R0.42  CCCCCCC[C@H](N)C(O)=O      AK-58077 [0,2,0,0,0,0|0,0,2]=4
18  B11R0.46  CCCCCC(C)CCC(O)=O      AK112837 [0,2,0,0,0,0|0,0,2]=4
19  B11R0.148  OC(=O)CCCCCCCCBr      AK-49777 [0,2,0,0,0,0|0,0,2]=4
20  B11R0.148  OCCCCCCCCC(O)=O      AK-77678 [0,2,0,0,0,0|0,0,2]=4
21  B9R1.5  O=C1N(C)CCCCC1      AK-93035 [1,0,0,1,0,0|1,0,1]=4
22  B9R1.50  O=C1CCCCCCC1      AK-96432 [1,0,0,1,0,0|0,0,1]=3
23  B9R1.50  O=C1NCCCCCC1      AK-84407 [1,0,0,1,0,0|1,0,1]=4
24  B9R1.50  OC1CC\C=C/CCC1      AK-79871 [1,0,0,1,0,0|0,0,1]=3
25  B11R1.199  C(OC(C1C(CCC1)=O)=O)C      AK-47297 [0,1,0,1,0,0|1,0,0]=3
26  B11R1.199  CCOC(=O)C1COCC1=O      AK-82248 [0,1,0,1,0,0|2,0,0]=4
27  B11R1.199  O=C(C1C(OCC1)=O)OCC      AK-72736 [0,1,0,1,0,0|2,0,0]=4
28  B11R1.199  O=C(C1CNCC1=O)OCC      AK100873 [0,1,0,1,0,0|2,0,0]=4
29  B11R1.27  O=C1OC(CCCCC)CC1      AK551064 [0,1,0,1,0,0|0,0,2]=4
30  B11R1.91  O=C(O)CCC1CCCCC1      AK116675 [0,1,0,1,0,0|0,0,2]=4