0  B8R0.4  CCCCCCCCO DB12452 [0,0,0,0,0,0|0,0,0]=0
1  B8R0.4  COCCOCCOC DB02935 [0,0,0,0,0,0|4,0,0]=4
2  B7R0.1  CCCCCON=O DB01612 [1,0,0,0,0,0|2,0,1]=4
3  B7R0.1  NCCCCCCN DB03260 [1,0,0,0,0,0|2,0,0]=3
4  B7R0.1  OCCCCCCBr DB04637 [1,0,0,0,0,0|1,0,0]=2
5  B7R0.1  OCCCCCCO DB02210 [1,0,0,0,0,0|1,0,0]=2
6  B7R0.1  OCCSSCCO DB02486 [1,0,0,0,0,0|3,0,0]=4
7  B9R0.2  CCCCCCCC(=O)O DB04519 [0,1,0,0,0,0|0,0,1]=2
8  B9R0.5  CCCCC[C@H](C)NC=O DB03061 [0,1,0,0,0,0|1,0,2]=4
9  B9R0.45  CCCCCCCCCO DB03143 [0,1,0,0,0,0|0,0,0]=1
10  B9R0.45  CCCCCCCNC=O DB04105 [0,1,0,0,0,0|0,0,2]=3
11  B9R0.45  CCOCCOCCOC DB03508 [0,1,0,0,0,0|2,0,0]=3
12  B9R0.45  NCCCCCCCCN DB04333 [0,1,0,0,0,0|1,0,0]=2
13  B9R0.45  NCCCCNCCCN DB03566 [0,1,0,0,0,0|2,0,0]=3
14  B9R0.45  NCCNCCNCCN DB06824 [0,1,0,0,0,0|3,0,0]=4
15  B9R0.45  OCCOCCOCCO DB02327 [0,1,0,0,0,0|2,0,0]=3
16  B9R0.46  CCCCCCC(C)NN DB09249 [0,1,0,0,0,0|2,0,0]=3
17  B9R0.46  NCCCSC[C@H](N)CO DB04648 [0,1,0,0,0,0|2,0,0]=3
18  B9R1.8  NCCN1CCOCC1 DB03096 [0,0,0,1,0,0|3,0,0]=4
19  B9R1.8  O=CNC1CCCCC1 DB03559 [0,0,0,1,0,0|1,0,2]=4
20  B6R0.6  NCCCCCN DB03854 [2,0,0,0,0,0|2,0,0]=4
21  B8R0.6  C=C[C@@H](O)CCCCC DB03025 [1,1,0,0,0,0|0,0,2]=4
22  B8R0.7  CCCCCCC(=O)O DB02938 [1,1,0,0,0,0|0,0,1]=3
23  B8R0.7  CCCCCCC(N)=O DB02641 [1,1,0,0,0,0|0,0,2]=4
24  B8R0.7  NCCCCCC(=O)O DB00513 [1,1,0,0,0,0|1,0,1]=4
25  B10R0.75  CNCCCC[C@H](N)C(=O)O DB01714 [0,2,0,0,0,0|1,0,1]=4
26  B10R0.75  [C@H](O)(CCCCCC)C(=O)O DB07907 [0,2,0,0,0,0|0,0,1]=3
27  B10R0.97  CC(O)CCOCCC(C)O DB14079 [0,2,0,0,0,0|1,0,0]=3
28  B10R0.1  [C@@H](C)(CCCCCC)\N=C\O DB02131 [0,2,0,0,0,0|0,0,1]=3
29  B10R0.116  CCCCP(=O)(O)CCCN DB05010 [0,2,0,0,0,0|2,0,0]=4
30  B10R0.71  CCCCCCCCCCS DB07611 [0,2,0,0,0,0|0,1,0]=3
31  B10R0.71  CCOCCOCCOCC DB08357 [0,2,0,0,0,0|2,0,0]=4
32  B8R1.2  [NH3+]CC1CCCCC1 DB02435 [1,0,0,1,0,0|1,0,0]=3
33  B10R1.16  [C@H]1(CCCC)CC[S@](=O)C1 DB02871 [0,1,0,1,0,0|1,0,1]=4
34  B10R1.2  OC[C@H]1CNC[C@@H](O)[C@@H]1O DB04545 [0,1,0,1,0,0|2,0,0]=4
35  B10R1.27  CNC(C)CC1CCCC1 DB08999 [0,1,0,1,0,0|2,0,0]=4