0  B5R0.2  C#CCCCO 102448 [0,0,0,0,0,0|1,0,2]=3
1  B4R0.2  C\C=C/CO 102650 [1,0,0,0,0,0|0,0,2]=3
2  B4R0.2  NCCCN 21368 [1,0,0,0,0,0|2,0,0]=3
3  B4R0.2  NCCCN 21721 [1,0,0,0,0,0|2,0,0]=3
4  B4R0.2  NCCCN 21741 [1,0,0,0,0,0|2,0,0]=3
5  B4R0.2  NCCCN 22243 [1,0,0,0,0,0|2,0,0]=3
6  B4R0.2  OC\C=C/I 103154 [1,0,0,0,0,0|1,0,2]=4
7  B4R0.2  OC\C=C\I 103137 [1,0,0,0,0,0|1,0,2]=4
8  B6R0.1  C=CC(C)CCO 102710 [0,1,0,0,0,0|1,0,2]=4
9  B6R0.1  CO\C=C(/F)CO 100818 [0,1,0,0,0,0|2,0,1]=4
10  B6R0.4  CC(O)\C=C/CO 103155 [0,1,0,0,0,0|1,0,1]=3
11  B6R0.6  CCC#CCCC 102645 [0,1,0,0,0,0|2,0,0]=3
12  B6R0.6  COCOCCCl 100854 [0,1,0,0,0,0|1,1,0]=3
13  B6R0.6  C\C=C/CCCO 102707 [0,1,0,0,0,0|1,0,1]=3
14  B6R0.6  NCCOCCN 21478 [0,1,0,0,0,0|1,1,0]=3
15  B6R1.2  OC1=NNCC1 20904 [0,0,0,1,0,0|2,0,1]=4
16  B3R0.1  CNNC 16369 [2,0,0,0,0,0|2,0,0]=4
17  B3R0.1  NCCN 21369 [2,0,0,0,0,0|2,0,0]=4
18  B3R0.1  NCCN 21544 [2,0,0,0,0,0|2,0,0]=4
19  B3R0.1  NCCS 21729 [2,0,0,0,0,0|1,0,0]=3
20  B3R0.1  OCCF 9966 [2,0,0,0,0,0|1,0,0]=3
21  B5R0.1  CC(F)CCO 9969 [1,1,0,0,0,0|0,0,0]=2
22  B5R0.1  C\C(Br)=C/CO 103149 [1,1,0,0,0,0|0,0,2]=4
23  B5R0.1  C\C(I)=C\CO 103135 [1,1,0,0,0,0|0,0,2]=4
24  B5R0.3  C\C=C(/F)CO 100834 [1,1,0,0,0,0|0,0,2]=4
25  B5R0.3  OC(CF)CF 9971 [1,1,0,0,0,0|2,0,0]=4
26  B5R0.3  OCC(Cl)CF 9968 [1,1,0,0,0,0|1,0,0]=3
27  B7R0.3  C=CC(C)CCCC 102712 [0,2,0,0,0,0|2,0,0]=4
28  B7R0.3  C=CC(C)CCCO 102711 [0,2,0,0,0,0|1,0,0]=3
29  B7R0.7  CC\C=C(/C)CCC 102642 [0,2,0,0,0,0|2,0,0]=4
30  B7R0.4  C=C(F)CCCCO 102348 [0,2,0,0,0,0|1,0,1]=4
31  B7R0.1  CCC#CC=CCO 19500 [0,2,0,0,0,0|1,0,1]=4
32  B7R0.1  CCCCC\C=C\I 102635 [0,2,0,0,0,0|2,0,0]=4
33  B7R0.1  C\C=C/CCCCC 102713 [0,2,0,0,0,0|2,0,0]=4
34  B7R0.1  C\C=C/CCCCO 102708 [0,2,0,0,0,0|1,0,0]=3
35  B7R1.3  FC1CCCCC1 102292 [0,1,0,1,0,0|2,0,0]=4
36  B7R1.4  CN1=NCCC1O 20906 [0,1,0,1,0,0|2,0,0]=4
37  B7R1.4  OC1OCCC1F 102621 [0,1,0,1,0,0|1,1,0]=4