0  B6R0.1  C=CC(C)CCO 102710 [0,0,0,0,0,0|2,0,2]=4
1  B5R0.1  CC(F)CCO 9969 [1,0,0,0,0,0|2,0,0]=3
2  B5R0.2  C#CCCCO 102448 [1,0,0,0,0,0|1,0,2]=4
3  B5R0.3  OC(CF)CF 9971 [1,0,0,0,0,0|2,0,0]=3
4  B5R0.3  OCC(Cl)CF 9968 [1,0,0,0,0,0|3,0,0]=4
5  B7R0.2  C\C=C(\C)CC(C)C 103077 [0,1,0,0,0,0|1,0,2]=4
6  B7R0.3  C=CC(C)CCCC 102712 [0,1,0,0,0,0|1,0,2]=4
7  B7R0.3  C=CC(C)CCCO 102711 [0,1,0,0,0,0|1,0,2]=4
8  B7R0.3  C=CCCC(Br)CBr 19930 [0,1,0,0,0,0|2,0,1]=4
9  B7R0.7  CC\C=C(/C)CCC 102642 [0,1,0,0,0,0|1,0,1]=3
10  B7R0.10  OC(CS)C(O)CS 20173 [0,1,0,0,0,0|2,0,0]=3
11  B7R1.3  FC1CCCCC1 102292 [0,0,0,1,0,0|1,0,0]=2
12  B7R1.4  CN1=NCCC1O 20906 [0,0,0,1,0,0|2,0,0]=3
13  B7R1.4  OC1OCCC1F 102621 [0,0,0,1,0,0|2,0,0]=3
14  B4R0.1  CC(F)CO 9967 [2,0,0,0,0,0|2,0,0]=4
15  B4R0.2  C\C=C/CO 102650 [2,0,0,0,0,0|0,0,2]=4
16  B4R0.2  NCCCN 21368 [2,0,0,0,0,0|2,0,0]=4
17  B4R0.2  NCCCN 21721 [2,0,0,0,0,0|2,0,0]=4
18  B4R0.2  NCCCN 21741 [2,0,0,0,0,0|2,0,0]=4
19  B4R0.2  NCCCN 22243 [2,0,0,0,0,0|2,0,0]=4
20  B6R0.3  CC(Br)C(Br)CO 103140 [1,1,0,0,0,0|2,0,0]=4
21  B6R0.4  CC(O)\C=C/CO 103155 [1,1,0,0,0,0|0,0,2]=4
22  B6R0.6  CCC#CCCC 102645 [1,1,0,0,0,0|0,0,1]=3
23  B6R0.6  COCOCCCl 100854 [1,1,0,0,0,0|2,0,0]=4
24  B6R0.6  C\C=C/CCCO 102707 [1,1,0,0,0,0|0,0,2]=4
25  B6R0.6  NCCOCCN 21478 [1,1,0,0,0,0|2,0,0]=4
26  B6R0.8  CCC(F)(F)CC 9977 [1,1,0,0,0,0|1,0,0]=3
27  B8R0.5  C=CCC(O)CC(C)O 19502 [0,2,0,0,0,0|0,0,1]=3
28  B8R0.6  CCCCCC(O)CF 100185 [0,2,0,0,0,0|1,0,0]=3
29  B8R0.12  CC#CC(C)(O)C(C)C 16779 [0,2,0,0,0,0|0,0,2]=4
30  B8R1.1  O=C1CC[C@H](CBr)O1 21988 [0,1,0,1,0,0|1,0,1]=4
31  B8R1.1  [NH3+]C[C@H]1CCC(=O)O1 21998 [0,1,0,1,0,0|1,0,1]=4
32  B8R1.2  ON=C1CCCCC1 19847 [0,1,0,1,0,0|0,0,1]=3
33  B8R1.5  NC1CCCCC1O 19764 [0,1,0,1,0,0|0,0,0]=2
34  B8R1.5  O[C@@H]1CCCC[C@H]1Cl 19437 [0,1,0,1,0,0|0,0,0]=2
35  B8R1.5  O[C@@H]1CCCC[C@H]1O 19322 [0,1,0,1,0,0|0,0,0]=2
36  B8R1.5  O[C@H]1CCCC[C@@H]1O 19323 [0,1,0,1,0,0|0,0,0]=2
37  B8R1.5  O[C@H]1CCCC[C@H]1O 19324 [0,1,0,1,0,0|0,0,0]=2
38  B8R1.7  BrC(Br)C1OCCO1 100935 [0,1,0,1,0,0|2,0,0]=4