0  B9R0.2  CC(=O)OCCOCCCl 6974AA [0,0,0,0,0,0|2,0,1]=3
1  B9R0.2  CCCCCCCC(N)=O 7980AF [0,0,0,0,0,0|2,0,2]=4
2  B9R0.2  CCCCCCC[13C](=O)O 8956AJ [0,0,0,0,0,0|2,0,2]=4
3  B9R0.2  CCCCCCOC(C)=O 7968AF [0,0,0,0,0,0|0,0,2]=2
4  B8R0.4  CCCCCCON=O 8053AL [1,0,0,0,0,0|1,0,2]=4
5  B8R0.4  CCCC\C=C/CCO 7442AL [1,0,0,0,0,0|2,0,1]=4
6  B8R0.7  C=CCCCOC(C)=O 6663AL [1,0,0,0,0,0|0,0,3]=4
7  B8R0.7  CC(=O)NCCCCN 8335AL [1,0,0,0,0,0|2,0,1]=4
8  B8R0.7  CC(=O)OCCCCBr 7492AF [1,0,0,0,0,0|1,0,1]=3
9  B8R0.7  CCCCCCC(=O)[O-] 7832AL [1,0,0,0,0,0|1,0,2]=4
10  B8R0.7  CCCC\C=C\C(C)=O 6146AL [1,0,0,0,0,0|0,0,2]=3
11  B10R0.3  CCCC(=O)CCCC(=O)O 1674AE [0,1,0,0,0,0|2,0,1]=4
12  B10R0.4  CCCCCCCOC(=O)Cl 3970AB [0,1,0,0,0,0|1,0,2]=4
13  B10R0.4  CCCCCC\C=C\C(C)=O 2414AL [0,1,0,0,0,0|1,0,2]=4
14  B10R0.22  CCCCCCOS(C)(=O)=O 8051AL [0,1,0,0,0,0|1,0,2]=4
15  B10R1.18  CC(=O)NC1CCCNC1 8592AB [0,0,0,1,0,0|2,0,1]=4
16  B10R1.78  O=C1CCCCCCCC1 3914AB [0,0,0,1,0,0|1,0,2]=4
17  B7R0.1  CCCCCCOC 8052AL [2,0,0,0,0,0|0,0,2]=4
18  B7R0.1  CCCCCOC=O 7518AF [2,0,0,0,0,0|0,0,1]=3
19  B7R0.1  CCC\C=C/CCC 7451AL [2,0,0,0,0,0|0,0,1]=3
20  B7R0.4  CC(=O)CCCCCl D718 [2,0,0,0,0,0|1,0,1]=4
21  B7R0.4  CCCCSC(C)=O 3195AL [2,0,0,0,0,0|0,1,0]=3
22  B7R0.4  CCCOCC(=O)O 5344AE [2,0,0,0,0,0|2,0,0]=4
23  B9R0.1  CCC(C)CCOC(C)=O 6119AL [1,1,0,0,0,0|0,0,1]=3
24  B9R0.1  CCC(C)OCCC(C)=O 6681AL [1,1,0,0,0,0|1,0,1]=4
25  B9R0.48  CCOC(=O)\C=C\C(C)=O 1161AL [1,1,0,0,0,0|1,0,1]=4
26  B9R0.55  CC(=O)CCOCC(C)C 6549AL [1,1,0,0,0,0|1,0,1]=4
27  B11R0.1  CCOC(=O)CC(C)OC(C)=O 7790AL [0,2,0,0,0,0|1,0,1]=4
28  B11R0.42  CC\C=C/CCOC(=O)C(C)O 7436AL [0,2,0,0,0,0|0,0,2]=4
29  B11R0.148  CCCCC\C=C\CCC(=O)O 6469AL [0,2,0,0,0,0|2,0,0]=4
30  B11R0.4  CCCCCCOC(=O)CC#N 8925AJ [0,2,0,0,0,0|0,0,2]=4
31  B9R1.2  CCC1CCCC(=O)C1 7677AD [1,0,0,1,0,0|0,0,2]=4
32  B9R1.6  CC(=O)C1=CCCCC1 7650AJ [1,0,0,1,0,0|0,0,2]=4
33  B9R1.6  O=C(O)[C@H]1CC=CCC1 O030 [1,0,0,1,0,0|2,0,0]=4
34  B11R1.91  CC(=O)OCC1CCCCC1 7517AL [0,1,0,1,0,0|0,0,2]=4
35  B11R1.40  O=C(CCl)OC1CCCCC1 Y9855 [0,1,0,1,0,0|0,0,2]=4