0  B8R0.4  C(CCCF)CCCF LS40668 [0,0,0,0,0,0|3,0,1]=4
1  B8R0.4  C(CCCO)CCCF LS40660 [0,0,0,0,0,0|2,0,2]=4
2  B8R0.4  C(CCCO)CCCO LS40221 [0,0,0,0,0,0|2,0,2]=4
3  B7R0.1  C#CCCCCCO LS40112 [1,0,0,0,0,0|2,0,1]=4
4  B7R0.1  C(CCCF)CCF LS40667 [1,0,0,0,0,0|2,0,1]=4
5  B7R0.1  C(CCCF)CCO LS40659 [1,0,0,0,0,0|1,0,2]=4
6  B7R0.1  C(CCCO)CCN LS40173 [1,0,0,0,0,0|1,0,2]=4
7  B7R0.1  C(CCCS)CCO LS40174 [1,0,0,0,0,0|1,0,2]=4
8  B7R0.1  C=CCCCCCCl LS40295 [1,0,0,0,0,0|2,0,0]=3
9  B9R0.2  C(CCCBr)CCC(=O)O LS40309 [0,1,0,0,0,0|2,0,0]=3
10  B9R0.2  CCCCCCOC(=O)Cl LS41130 [0,1,0,0,0,0|0,0,0]=1
11  B9R0.45  C(CCCCF)CCCF LS40669 [0,1,0,0,0,0|2,0,1]=4
12  B9R0.45  C(CCCCF)CCCO LS40661 [0,1,0,0,0,0|1,0,2]=4
13  B9R1.12  CCOCC1CCCO1 LS41243 [0,0,0,1,0,0|2,0,1]=4
14  B9R1.33  CCCN1CCCC1=O LS40501 [0,0,0,1,0,0|2,0,0]=3
15  B6R0.6  C(CCF)CCF LS40666 [2,0,0,0,0,0|2,0,0]=4
16  B6R0.6  C(CCO)CCF LS40658 [2,0,0,0,0,0|1,0,0]=3
17  B6R0.6  C=CCCCCO LS40909 [2,0,0,0,0,0|0,0,2]=4
18  B6R0.6  COCCCCCl LS00136 [2,0,0,0,0,0|1,0,1]=4
19  B8R0.7  B(CCCCCC)(O)O LS11158 [1,1,0,0,0,0|1,0,1]=4
20  B8R0.7  CC(=O)OCCCCBr LS41690 [1,1,0,0,0,0|1,0,0]=3
21  B10R0.4  C(CCCC(=O)O)CCCBr LS41646 [0,2,0,0,0,0|1,0,0]=3
22  B8R1.2  C1CCC(CC1)C=O LS40273 [1,0,0,1,0,0|0,0,0]=2
23  B8R1.2  C1CCC(CC1)CN LS40038 [1,0,0,1,0,0|1,0,1]=4
24  B8R1.2  C1CCN(CC1)C=O LS20491 [1,0,0,1,0,0|1,0,0]=3
25  B8R1.2  CC[C@@H]1COCCN1 LS30017 [1,0,0,1,0,0|1,0,1]=4
26  B8R1.2  CC[C@H]1COCCN1 LS30018 [1,0,0,1,0,0|1,0,1]=4
27  B10R1.61  CN1CCCCC1C(=O)O LS20275 [0,1,0,1,0,0|2,0,0]=4
28  B10R1.29  CCCCN1CCCC1=O LS40516 [0,1,0,1,0,0|1,0,0]=3
29  B10R1.17  CCCCN1CCOCC1 LS20030 [0,1,0,1,0,0|1,0,1]=4
30  B10R2.62  C1CN2CCC1C(=O)C2 LS20486 [0,0,0,2,0,0|2,0,0]=4