0  B17R1.11267  CC1CCCCCCCCCCCCC(=O)C1 HR131292 [0,0,0,0,0,0|0,0,0]=0
1  B16R1.8816  O=C1CCCCCCCCCCCCCC1 HR135024 [1,0,0,0,0,0|0,0,0]=1
2  B16R0.194  CCCCCCC(=O)OC(=O)CCCCCC HR101534 [0,0,1,0,0,0|2,0,1]=4
3  B16R0.274  CCCCCCCCCCCCCCC(=O)O HR142276 [0,0,1,0,0,0|1,0,0]=2
4  B16R0.274  CCCCCCCCCCCCCCN(C)C HR124664 [0,0,1,0,0,0|2,0,0]=3
5  B16R0.302  CCCCCCCCCCCC(=O)OC(C)C HR137868 [0,0,1,0,0,0|1,0,0]=2
6  B16R0.1182  CCCCCCCCCCC(O)CC(=O)OC LEXF01901 [0,0,1,0,0,0|2,0,0]=3
7  B15R0.70  C=CCCCCCCCCCCCCCC HR133468 [1,0,1,0,0,0|0,0,1]=3
8  B15R0.70  CCCCCCCCCCCCCCCBr HR140226 [1,0,1,0,0,0|1,0,1]=4
9  B15R0.70  CCCCCCCCCCCCCCCC HR127826 [1,0,1,0,0,0|0,0,1]=3
10  B15R0.70  CCCCCCCCCCCCCCCO HR140325 [1,0,1,0,0,0|0,0,2]=4
11  B15R0.81  CCCCCCCCCCCCC(O)CO HR113071 [1,0,1,0,0,0|1,0,1]=4
12  B15R0.366  CCCCCCCCCCCC(=O)OCC HR128383 [1,0,1,0,0,0|1,0,0]=3
13  B15R0.164  CCCCCCCCCCCCCC(=O)O HR122478 [1,0,1,0,0,0|1,0,0]=3
14  B15R0.164  CCCCCCCCCCCCCC(=O)[O-] HR120147 [1,0,1,0,0,0|1,0,0]=3
15  B15R0.164  CCCCCCCCCCCCCC(=O)[O-] HR120467 [1,0,1,0,0,0|1,0,0]=3
16  B15R0.164  CCCCCCCCCCCCCC(C)=O HR117964 [1,0,1,0,0,0|0,0,0]=2
17  B15R0.164  CCCCCCCCCCCCCC(C)C HR101890 [1,0,1,0,0,0|0,0,1]=3
18  B15R0.164  CCCCCCCCCCCCOC(=O)Cl HR124177 [1,0,1,0,0,0|2,0,0]=4
19  B15R0.164  CCCCCCCCCCCOCC(=O)O HR148875 [1,0,1,0,0,0|2,0,0]=4
20  B15R0.133  CCCCCCCC(=O)OCCCCCC HR110541 [1,0,1,0,0,0|1,0,0]=3
21  B17R0.250  CCCCCCCCCCCCCC(=O)OCC HR131261 [0,1,1,0,0,0|1,0,0]=3
22  B17R0.43  CC(C)CCCCCCCCCCOCCCN HR101425 [0,1,1,0,0,0|1,0,1]=4
23  B17R0.43  CCCCCCCCCCCCCCCC(=O)O HR123420 [0,1,1,0,0,0|1,0,0]=3
24  B17R0.43  CCCCCCCCCCCCCCCC(=O)[O-] HR142269 [0,1,1,0,0,0|1,0,0]=3
25  B17R0.43  CCCCCCCCCCCCCCCC(C)C HR101499 [0,1,1,0,0,0|1,0,1]=4
26  B17R0.43  CCCCCCCCCCCCCCCC(O)=S HR126353 [0,1,1,0,0,0|1,0,1]=4
27  B17R0.43  CCCCCCCCCCCCCCOC(=O)Cl HR132503 [0,1,1,0,0,0|1,0,0]=3
28  B17R0.43  CCCCCC\C=C\CCCCCCCC(=O)O HR115715 [0,1,1,0,0,0|1,0,1]=4
29  B17R0.195  C=CC(=O)OCCCCCCCCCCCCC HR107532 [0,1,1,0,0,0|1,0,1]=4
30  B17R0.195  CCCCCCCCCCCCCCC(=O)OC HR144511 [0,1,1,0,0,0|0,0,0]=2
31  B17R0.195  CCCCCCCCCCCCCCC(O)CO HR120321 [0,1,1,0,0,0|0,0,2]=4
32  B17R0.197  CCCCCCCCCCCCCC[N+](C)(C)C HR120210 [0,1,1,0,0,0|2,0,0]=4
33  B17R0.197  CCCCCCCCCCCCCC[N+](C)(C)C HR120531 [0,1,1,0,0,0|2,0,0]=4
34  B17R0.197  CCCCCCCCCCCCCC[N+](C)(C)C HR128667 [0,1,1,0,0,0|2,0,0]=4
35  B17R0.1713  CC(=O)CCCCCCCCCCCCC(C)=O HR132442 [0,1,1,0,0,0|0,0,1]=3
36  B17R0.1713  CC(C)CCCCCCCCCCCCC(=O)O HR127756 [0,1,1,0,0,0|0,0,0]=2
37  B17R0.13601  CCCCCCCCCCCC(=O)CC(=O)OC HR143835 [0,1,1,0,0,0|1,0,1]=4
38  B17R1.11298  O=C1CCCCCCCCCCCCCCO1 HR128198 [0,0,1,1,0,0|1,0,0]=3
39  B17R1.29093  CCCCCCCCCCCCCCC1CO1 HR101540 [0,0,1,1,0,0|0,0,2]=4
40  B15R0.84  CCCCCCCCCCCC(=O)N(C)C HR127752 [0,0,1,0,1,0|1,0,0]=3
41  B17R0.12415  CCCCCCCCCCC(=O)OCC(O)CO HR111495 [0,0,1,0,0,1|2,0,0]=4