0  B7R0.1  C#CCCCCCC DY740767 [0,0,0,0,0,0|2,0,2]=4
1  B7R0.1  C=CCCCCCBr NO19607 [0,0,0,0,0,0|3,0,0]=3
2  B7R0.1  CCCOCCCN DY740653 [0,0,0,0,0,0|2,1,1]=4
3  B7R0.1  N#CCCSCCO DY791895 [0,0,0,0,0,0|3,0,1]=4
4  B7R0.1  NCCSSCCN DY557499 [0,0,0,0,0,0|2,0,1]=3
5  B7R0.1  NCCSSCCN NO11190 [0,0,0,0,0,0|2,0,1]=3
6  B6R0.6  C#CCCCC=C DY565911 [1,0,0,0,0,0|1,0,2]=4
7  B6R0.6  C=CCCCCCl DY427568 [1,0,0,0,0,0|2,0,0]=3
8  B6R0.6  C=CCCCCO NO10397 [1,0,0,0,0,0|2,0,0]=3
9  B6R0.6  C=CCCC[Zn]Br DY121349 [1,0,0,0,0,0|3,0,0]=4
10  B6R0.6  C=CCNCC=C DY563475 [1,0,0,0,0,0|1,0,2]=4
11  B6R0.6  CCCCSCC DY740893 [1,0,0,0,0,0|1,0,1]=3
12  B6R0.6  CCCOCCO DY740785 [1,0,0,0,0,0|1,1,1]=4
13  B6R0.6  O=CCCCCBr DY510224 [1,0,0,0,0,0|3,0,0]=4
14  B8R0.4  C=CCCCCCCO DY740623 [0,1,0,0,0,0|2,0,0]=3
15  B8R0.4  C=COCCOCCO DY799065 [0,1,0,0,0,0|2,1,0]=4
16  B8R0.7  CCCCCCC(=O)O DY822462 [0,1,0,0,0,0|3,0,0]=4
17  B8R1.2  O=CC1CCCCC1 DY20143 [0,0,0,1,0,0|3,0,0]=4
18  B8R1.2  O=CC1CCCOC1 DY442323 [0,0,0,1,0,0|2,1,0]=4
19  B8R1.2  O=CC1CCCSC1 DY563535 [0,0,0,1,0,0|2,0,0]=3
20  B8R1.2  O=C[C@@H]1CCCOC1 DY585694 [0,0,0,1,0,0|2,1,0]=4
21  B8R1.2  O=C[C@H]1CCCOC1 DY585690 [0,0,0,1,0,0|2,1,0]=4
22  B8R1.8  OCCC1=CC=CS1 NO14939 [0,0,0,1,0,0|2,0,1]=4
23  B8R1.10  C=CCOC1COC1 DY566835 [0,0,0,1,0,0|2,1,0]=4
24  B8R1.22  O=C1CCCCCC1 DY461238 [0,0,0,1,0,0|3,0,0]=4
25  B8R1.22  O=C1CCCNCC1 NO19096 [0,0,0,1,0,0|3,0,0]=4
26  B8R1.49  C1=CCCC=CCC1 DY720654 [0,0,0,1,0,0|2,0,1]=4
27  B8R1.49  C1=CCCC=CCC1 NO14877 [0,0,0,1,0,0|2,0,1]=4
28  B5R0.2  C=CCCCBr DY460284 [2,0,0,0,0,0|1,0,0]=3
29  B5R0.2  C=CCC[Zn]Br DY121337 [2,0,0,0,0,0|2,0,0]=4
30  B5R0.2  CCCCCBr NO20657 [2,0,0,0,0,0|1,0,1]=4
31  B5R0.2  CCCC[Mg]Cl DY567561 [2,0,0,0,0,0|2,0,0]=4
32  B5R0.2  CSCCCO DY557199 [2,0,0,0,0,0|2,0,0]=4
33  B7R0.4  CCCCCC(=O)Cl DY822275 [1,1,0,0,0,0|2,0,0]=4
34  B7R0.4  CCCOCC(=O)O DY425744 [1,1,0,0,0,0|1,1,0]=4
35  B7R0.4  CCCSCC(N)=O DY742801 [1,1,0,0,0,0|1,0,0]=3
36  B7R1.1  O=CC1CCCC1 DY21048 [1,0,0,1,0,0|2,0,0]=4
37  B7R1.1  O=C[C@@H]1CCCN1 DY626191 [1,0,0,1,0,0|2,0,0]=4
38  B7R1.3  CC1C=CCCO1 DY560079 [1,0,0,1,0,0|1,1,0]=4
39  B7R1.3  NC1C=CCCC1 DY608404 [1,0,0,1,0,0|2,0,0]=4
40  B7R1.3  O=C1CCCNC1 DY557319 [1,0,0,1,0,0|2,0,0]=4
41  B7R1.3  O=C1CCCNC1 NO17767 [1,0,0,1,0,0|2,0,0]=4
42  B7R1.3  O=C1CCSCC1 NO18797 [1,0,0,1,0,0|2,0,0]=4
43  B7R1.3  OC1C=CCNC1 DY552951 [1,0,0,1,0,0|2,0,0]=4
44  B7R1.5  C=C1CC1CCO DY790953 [1,0,0,1,0,0|2,0,0]=4
45  B7R1.6  C=CCC1CNC1 DY586612 [1,0,0,1,0,0|2,0,0]=4
46  B9R1.12  C=CCNC1CCCC1 DY585789 [0,1,0,1,0,0|2,0,0]=4
47  B9R2.49  C1=CC2CCC1NO2 DY685403 [0,0,0,2,0,0|1,1,0]=4