0  B8R0.4  CCCCCCCCCl BBL011474 [0,0,0,0,0,0|1,0,2]=3
1  B8R0.4  CCCCCCCCI BBL027322 [0,0,0,0,0,0|1,0,2]=3
2  B8R0.4  CCCCNCCCC BBL002913 [0,0,0,0,0,0|2,0,2]=4
3  B7R0.1  C=CCCCCCC BBL027759 [1,0,0,0,0,0|1,0,2]=4
4  B7R0.1  CCCCCCCI BBL027321 [1,0,0,0,0,0|1,0,1]=3
5  B7R0.1  NCCCCCCN BBL027705 [1,0,0,0,0,0|2,0,1]=4
6  B9R0.45  CCCCCCCCCBr BBL010944 [0,1,0,0,0,0|1,0,2]=4
7  B9R0.45  CCCCCCCCCI BBL011365 [0,1,0,0,0,0|1,0,2]=4
8  B9R0.45  CCCCCCCCCN BBL027706 [0,1,0,0,0,0|1,0,2]=4
9  B9R0.45  NCCCCCCCCN BBL037236 [0,1,0,0,0,0|1,0,2]=4
10  B9R0.46  CCCCCCC(=O)OC BBL011469 [0,1,0,0,0,0|2,0,1]=4
11  B9R1.8  CCCC1CCCCN1 BBL022356 [0,0,0,1,0,0|1,0,2]=4
12  B9R1.8  CCOC1CCC=CO1 BBL027595 [0,0,0,1,0,0|3,0,0]=4
13  B9R1.8  OCCC1CCCCN1 BBL027554 [0,0,0,1,0,0|1,0,2]=4
14  B9R1.12  CCCNC1CCCC1 BBL022960 [0,0,0,1,0,0|2,0,1]=4
15  B9R1.12  OCCCN1C=CC=N1 BBL001816 [0,0,0,1,0,0|2,0,1]=4
16  B9R1.14  CCN1CCCC1CN BBL004461 [0,0,0,1,0,0|2,0,1]=4
17  B9R1.15  CN1CCCCC1CO BBL027589 [0,0,0,1,0,0|1,0,2]=4
18  B9R1.83  CCCCCCC1CO1 BBL027501 [0,0,0,1,0,0|0,0,2]=3
19  B9R1.83  CCCCOCC1CO1 BBL010943 [0,0,0,1,0,0|1,0,2]=4
20  B9R1.89  BrCC1OCCCCO1 BBL028617 [0,0,0,1,0,0|2,0,1]=4
21  B6R0.6  BrCCCCCBr BBL012205 [2,0,0,0,0,0|2,0,0]=4
22  B6R0.6  CCCCCCBr BBL012217 [2,0,0,0,0,0|1,0,0]=3
23  B6R0.6  CCCCCCI BBL011465 [2,0,0,0,0,0|1,0,0]=3
24  B6R0.6  CCCCCCN BBL011106 [2,0,0,0,0,0|1,0,0]=3
25  B6R0.6  CCCCOC=O BBL012218 [2,0,0,0,0,0|2,0,0]=4
26  B6R0.6  CCCNCCC BBL027756 [2,0,0,0,0,0|1,0,1]=4
27  B6R0.6  CCOCCCN BBL027700 [2,0,0,0,0,0|2,0,0]=4
28  B6R0.6  NCCCCCN BBL027704 [2,0,0,0,0,0|2,0,0]=4
29  B6R0.6  NCCNCCO BBL027690 [2,0,0,0,0,0|2,0,0]=4
30  B6R0.6  NCCOCCO BBL011501 [2,0,0,0,0,0|2,0,0]=4
31  B6R0.6  NCCSCCO BBL028287 [2,0,0,0,0,0|2,0,0]=4
32  B8R0.1  CCOC(=O)CCCCl BBL011514 [1,1,0,0,0,0|2,0,0]=4
33  B8R0.6  CCCCCC(=O)CC BBL011431 [1,1,0,0,0,0|0,0,1]=3
34  B8R0.7  CC(C)CNCCCO BBL030005 [1,1,0,0,0,0|1,0,1]=4
35  B8R0.7  CCCCCCC(C)=O BBL011429 [1,1,0,0,0,0|1,0,1]=4
36  B10R0.3  CC(C)=CCCC(C)CCO BBL009826 [0,2,0,0,0,0|0,0,2]=4
37  B10R0.4  CCCCCCCCC(=O)O BBL027459 [0,2,0,0,0,0|0,0,2]=4
38  B8R1.2  BrCC1CCCCO1 BBL027774 [1,0,0,1,0,0|1,0,1]=4
39  B8R1.2  CCC1CCCCN1 BBL100012 [1,0,0,1,0,0|1,0,1]=4
40  B8R1.2  ClCC1CCCCO1 BBL027598 [1,0,0,1,0,0|1,0,1]=4
41  B8R1.5  OC1CCCCC1O BBL027442 [1,0,0,1,0,0|1,0,1]=4
42  B8R1.8  OCCN1CCCC1 BBL027420 [1,0,0,1,0,0|1,0,1]=4
43  B8R1.22  O=C1CCCCCO1 BBL011394 [1,0,0,1,0,0|1,0,1]=4
44  B10R1.16  CC1=NN(CCCO)C=C1 BBL040241 [0,1,0,1,0,0|1,0,1]=4
45  B10R1.25  CC1CCC(CO)C(C)C1 BBL036309 [0,1,0,1,0,0|0,0,2]=4
46  B10R1.29  CC1=CC=NN1CCCO BBL040240 [0,1,0,1,0,0|1,0,1]=4
47  B10R1.377  OCCC1(O)CCCCC1 BBL028981 [0,1,0,1,0,0|0,0,2]=4