0  B8R0.4  C(CNCCCO)CO BC220973 [0,0,0,0,0,0|2,0,2]=4
1  B7R0.1  C(CCCCl)CCO BC209640 [1,0,0,0,0,0|1,0,1]=3
2  B7R0.1  C(CN)CNCCO BC219712 [1,0,0,0,0,0|2,0,1]=4
3  B7R0.1  CCCCOCCO BC675581 [1,0,0,0,0,0|1,0,1]=3
4  B9R0.5  CCOC(=O)CCCCN BC256319 [0,1,0,0,0,0|2,0,0]=3
5  B9R0.45  C(CCCCCl)CCCO BC219789 [0,1,0,0,0,0|0,0,2]=3
6  B9R0.45  C(CCCCO)CCCO BC200248 [0,1,0,0,0,0|0,0,2]=3
7  B9R1.8  C1CC(CNC1)CCO BC223505 [0,0,0,1,0,0|1,0,1]=3
8  B9R1.8  C1CCC(=CC1)CCN BC209653 [0,0,0,1,0,0|2,0,1]=4
9  B9R1.8  C1CCN(CC1)CCO BC219310 [0,0,0,1,0,0|1,0,2]=4
10  B9R1.8  C1CCNC(C1)CCO BC219291 [0,0,0,1,0,0|1,0,2]=4
11  B9R1.8  C1CN(CCN1)CCO BC202684 [0,0,0,1,0,0|2,0,1]=4
12  B9R1.8  C1CNC(CN1)CCO BC223429 [0,0,0,1,0,0|2,0,1]=4
13  B9R1.8  C1CNCCC1CCO BC204609 [0,0,0,1,0,0|1,0,1]=3
14  B9R1.8  C1COCCC1CCN BC684470 [0,0,0,1,0,0|2,0,1]=4
15  B9R1.8  C1COCCN1CCO BC219710 [0,0,0,1,0,0|2,0,1]=4
16  B9R1.12  C1CCN(C1)CCCO BC211356 [0,0,0,1,0,0|1,0,2]=4
17  B9R1.14  CCN1CCC[C@H]1CN BC215696 [0,0,0,1,0,0|2,0,1]=4
18  B9R1.15  CN1CCCCC1CO BC678877 [0,0,0,1,0,0|1,0,2]=4
19  B9R1.83  CCCCOCC1CO1 BC202676 [0,0,0,1,0,0|1,0,2]=4
20  B6R0.6  C(CCO)CCCl BC220627 [2,0,0,0,0,0|1,0,0]=3
21  B6R0.6  CCCCCCS BC231905 [2,0,0,0,0,0|0,1,0]=3
22  B6R0.6  CCCNCCC BC219597 [2,0,0,0,0,0|1,0,1]=4
23  B6R0.6  CCC\C=C\C=O BC231929 [2,0,0,0,0,0|1,0,1]=4
24  B8R0.1  CCOC(=O)CCCN BC200163 [1,1,0,0,0,0|2,0,0]=4
25  B8R0.1  CCOCC(=O)OCC BC224632 [1,1,0,0,0,0|2,0,0]=4
26  B10R0.71  CCCCCCCC#CCO BC226906 [0,2,0,0,0,0|0,0,2]=4
27  B8R1.2  C1CC(CNC1)CO BC202762 [1,0,0,1,0,0|1,0,1]=4
28  B8R1.2  C1CNCCC1CBr BC654630 [1,0,0,1,0,0|2,0,0]=4
29  B8R1.2  C1COCCC1CN BC684473 [1,0,0,1,0,0|2,0,0]=4
30  B8R1.2  C1COCCC1CO BC650897 [1,0,0,1,0,0|1,0,0]=3
31  B8R1.5  CC1CCCCC1O BC219008 [1,0,0,1,0,0|0,0,1]=3
32  B8R1.5  C[C@@H]1CCCC[C@H]1N BC219611 [1,0,0,1,0,0|1,0,1]=4
33  B8R1.8  C1CCN(C1)CCO BC214742 [1,0,0,1,0,0|1,0,1]=4
34  B8R1.8  C1CNCC1CCO BC683601 [1,0,0,1,0,0|1,0,0]=3
35  B8R1.11  C[C@H]1CNC[C@@H]1CO BC244806 [1,0,0,1,0,0|1,0,1]=4
36  B8R1.36  CCCNCC1CC1 BC205617 [1,0,0,1,0,0|1,0,1]=4
37  B8R1.49  C1\C=C/CC\C=C/C1 BC213286 [1,0,0,1,0,0|0,0,2]=4
38  B8R1.49  C1\C=C/CC\C=C/C1 BC213308 [1,0,0,1,0,0|0,0,2]=4
39  B8R1.49  C1\C=C/CC\C=C/C1 BC213309 [1,0,0,1,0,0|0,0,2]=4
40  B8R1.49  C1\C=C/CC\C=C/C1 BC213317 [1,0,0,1,0,0|0,0,2]=4
41  B10R1.10  C1CN(CC(=O)N1)CCO BC222501 [0,1,0,1,0,0|2,0,0]=4
42  B10R1.135  CCOC(=O)C1CC1CO BC205201 [0,1,0,1,0,0|1,0,0]=3
43  B10R1.17  C1CCOC(C1)OCCBr BC221723 [0,1,0,1,0,0|1,0,1]=4
44  B10R1.17  C1COCCN1CCCO BC211357 [0,1,0,1,0,0|1,0,1]=4