0  B6R0.6  CCCCCC=O YMDB01759 [0,0,0,0,0,0|2,0,2]=4
1  B6R0.6  CCCCCCO YMDB01473 [0,0,0,0,0,0|2,0,0]=2
2  B6R0.6  CCC\C=C\CO YMDB01676 [0,0,0,0,0,0|2,0,1]=3
3  B6R0.6  CCOCCCO YMDB01423 [0,0,0,0,0,0|3,0,0]=3
4  B6R0.6  CC\C=C/CCO YMDB01420 [0,0,0,0,0,0|2,0,1]=3
5  B6R0.6  CC\C=C\CCO YMDB01421 [0,0,0,0,0,0|2,0,1]=3
6  B6R0.6  NCCCCCN YMDB02303 [0,0,0,0,0,0|3,0,0]=3
7  B5R0.2  CCCCCO YMDB01470 [1,0,0,0,0,0|1,0,0]=2
8  B5R0.2  CCSSCC YMDB01671 [1,0,0,0,0,0|3,0,0]=4
9  B5R0.2  CSCCCO YMDB01427 [1,0,0,0,0,0|2,0,0]=3
10  B5R0.2  NCCCC=O YMDB00587 [1,0,0,0,0,0|1,0,2]=4
11  B5R0.2  NCCCCN YMDB00132 [1,0,0,0,0,0|2,0,0]=3
12  B7R0.1  CCCCCCC=O YMDB01704 [0,1,0,0,0,0|2,0,1]=4
13  B7R0.1  CCCCCCCO YMDB01475 [0,1,0,0,0,0|2,0,0]=3
14  B7R0.1  OCCCCCCO YMDB01709 [0,1,0,0,0,0|1,0,0]=2
15  B7R0.4  CC(C)CCCCO YMDB01409 [0,1,0,0,0,0|2,0,0]=3
16  B7R0.4  CCCCCC(=O)O YMDB01424 [0,1,0,0,0,0|2,0,1]=4
17  B7R0.4  CCCCCC(C)O YMDB01343 [0,1,0,0,0,0|2,0,0]=3
18  B7R0.7  CCCC(S)CCO YMDB01417 [0,1,0,0,0,0|2,0,0]=3
19  B7R1.1  OCC1CCCC1 YMDB01361 [0,0,0,1,0,0|2,0,0]=3
20  B7R1.3  OC1CCCCC1 YMDB01398 [0,0,0,1,0,0|2,0,0]=3
21  B4R0.2  CCCCO YMDB01386 [2,0,0,0,0,0|0,0,0]=2
22  B4R0.2  CCSCC YMDB01672 [2,0,0,0,0,0|1,0,0]=3
23  B4R0.2  CSCCO YMDB01590 [2,0,0,0,0,0|1,0,0]=3
24  B4R0.2  NCCCN YMDB00042 [2,0,0,0,0,0|2,0,0]=4
25  B4R0.2  OCCCO YMDB02312 [2,0,0,0,0,0|0,0,0]=2
26  B6R0.1  CCC(C)CCO YMDB01428 [1,1,0,0,0,0|1,0,0]=3
27  B6R0.4  CC(C)CCCO YMDB01348 [1,1,0,0,0,0|1,0,0]=3
28  B6R0.4  CCCCC(=O)O YMDB01484 [1,1,0,0,0,0|1,0,1]=4
29  B6R0.4  CCCCC(C)O YMDB01793 [1,1,0,0,0,0|1,0,0]=3
30  B6R0.4  NCCCC(=O)O YMDB00335 [1,1,0,0,0,0|1,0,1]=4
31  B8R0.4  CCCCCCCCO YMDB00808 [0,2,0,0,0,0|2,0,0]=4
32  B8R0.6  C=CC(O)CCCCC YMDB01352 [0,2,0,0,0,0|2,0,0]=4
33  B8R0.7  CC(C)CCCCCO YMDB01717 [0,2,0,0,0,0|2,0,0]=4
34  B8R0.7  CCCCCCC(=O)O YMDB01705 [0,2,0,0,0,0|2,0,0]=4
35  B8R0.11  CCCCC(CC)CO YMDB01330 [0,2,0,0,0,0|2,0,0]=4
36  B6R1.1  C1CCNCC1 YMDB01338 [1,0,0,1,0,0|1,0,0]=3
37  B6R1.2  O=C1CCCO1 YMDB01418 [1,0,0,1,0,0|0,0,2]=4
38  B8R1.7  O=C(O)[C@@H]1CCCN1 YMDB00378 [0,1,0,1,0,0|1,0,1]=4
39  B8R1.7  O=C(O)[C@H]1CCCN1 YMDB00903 [0,1,0,1,0,0|1,0,1]=4