0  B7R1.3  CC1SCCSS1 YMDB01497 [0,0,0,0,0,0|3,0,0]=3
1  B7R1.3  OC1CCCCC1 YMDB01398 [0,0,0,0,0,0|2,0,0]=2
2  B6R1.1  C1CCNCC1 YMDB01338 [1,0,0,0,0,0|0,0,0]=1
3  B6R0.1  CCC(C)CCO YMDB01428 [0,0,1,0,0,0|2,0,0]=3
4  B6R0.1  CCCC(=O)OC YMDB01743 [0,0,1,0,0,0|2,0,1]=4
5  B6R0.1  CCOC(=O)CC YMDB01331 [0,0,1,0,0,0|2,0,1]=4
6  B6R0.4  CC(C)CCCO YMDB01348 [0,0,1,0,0,0|2,0,0]=3
7  B6R0.4  CCCCC(=O)O YMDB01484 [0,0,1,0,0,0|2,0,1]=4
8  B6R0.4  CCCCC(C)O YMDB01793 [0,0,1,0,0,0|1,0,0]=2
9  B6R0.4  CCCOC(C)=O YMDB01390 [0,0,1,0,0,0|2,0,1]=4
10  B6R0.6  CCCCCC=O YMDB01759 [0,0,1,0,0,0|1,0,1]=3
11  B6R0.6  CCCCCCO YMDB01473 [0,0,1,0,0,0|1,0,0]=2
12  B6R0.6  CCC\C=C\CO YMDB01676 [0,0,1,0,0,0|1,0,2]=4
13  B6R0.6  CCOCCCO YMDB01423 [0,0,1,0,0,0|2,0,0]=3
14  B6R0.6  CC\C=C/CCO YMDB01420 [0,0,1,0,0,0|1,0,2]=4
15  B6R0.6  CC\C=C\CCO YMDB01421 [0,0,1,0,0,0|1,0,2]=4
16  B6R0.6  NCCCCCN YMDB02303 [0,0,1,0,0,0|1,0,0]=2
17  B6R1.2  O=C1CCCO1 YMDB01418 [0,0,0,0,1,0|2,0,1]=4
18  B5R0.1  CC(C)CC=O YMDB00499 [1,0,1,0,0,0|1,0,1]=4
19  B5R0.1  CC(C)CCO YMDB00570 [1,0,1,0,0,0|1,0,0]=3
20  B5R0.2  CCCCCO YMDB01470 [1,0,1,0,0,0|1,0,0]=3
21  B5R0.2  CCSSCC YMDB01671 [1,0,1,0,0,0|2,0,0]=4
22  B5R0.2  CSCCCO YMDB01427 [1,0,1,0,0,0|2,0,0]=4
23  B5R0.2  NCCCC=O YMDB00587 [1,0,1,0,0,0|1,0,1]=4
24  B5R0.2  NCCCCN YMDB00132 [1,0,1,0,0,0|1,0,0]=3
25  B5R0.3  CCC(C)C=O YMDB00485 [1,0,1,0,0,0|1,0,1]=4
26  B5R0.3  CCC(C)CO YMDB00567 [1,0,1,0,0,0|1,0,0]=3
27  B5R0.3  CCC(O)CO YMDB02307 [1,0,1,0,0,0|2,0,0]=4
28  B7R0.7  CCCC(S)CCO YMDB01417 [0,1,1,0,0,0|2,0,0]=4
29  B7R0.7  CCOC(C)OCC YMDB01369 [0,1,1,0,0,0|1,0,0]=3
30  B7R0.10  CCC(=O)C(O)CC YMDB00804 [0,1,1,0,0,0|2,0,0]=4
31  B7R0.4  CC(C)CCCCO YMDB01409 [0,1,1,0,0,0|1,0,0]=3
32  B7R0.4  CCCCCC(C)=O YMDB01337 [0,1,1,0,0,0|1,0,1]=4
33  B7R0.4  CCCCCC(C)O YMDB01343 [0,1,1,0,0,0|1,0,0]=3
34  B7R0.1  CCCCCCC=O YMDB01704 [0,1,1,0,0,0|1,0,0]=3
35  B7R0.1  CCCCCCCO YMDB01475 [0,1,1,0,0,0|1,0,0]=3
36  B7R0.1  OCCCCCCO YMDB01709 [0,1,1,0,0,0|1,0,0]=3
37  B7R1.1  OCC1CCCC1 YMDB01361 [0,1,0,0,1,0|0,0,0]=2
38  B7R1.4  CC1SCCC1=O YMDB01467 [0,1,0,0,1,0|1,0,1]=4
39  B9R1.6  O=C(O)C1CCCCN1 YMDB01675 [0,2,0,0,0,0|0,0,1]=3
40  B5R1.1  C1CSCN1 YMDB01400 [1,0,0,0,1,0|1,0,0]=3