0  B25R0.7948  CCCCCCCCCCCCCCCCCCCCCCCC(=O)N 1P009SVH [0,0,0,0,0,0|2,0,0]=2
1  B25R0.7948  CCCCCCCCCCCCCCCCCCCCCCCC(=O)O 1P003RQZ [0,0,0,0,0,0|1,0,0]=1
2  B25R0.7948  CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)O 1P00I9JU [0,0,0,0,0,0|1,0,2]=3
3  B24R0.2855  CCCCCCCCCCCCCCCCCCCCCCCCO 1P003BIS [1,0,0,0,0,0|1,0,1]=3
4  B24R0.34120  BrCCCCCCCCCCCCCCCCCCCCCC(=O)O 1P004UM3 [1,0,0,0,0,0|1,0,0]=2
5  B24R0.34120  C=CCCCCCCCCCCCCCCCCCCCCC(=O)O 1P003GQV [1,0,0,0,0,0|0,0,2]=3
6  B24R0.34120  CCCCCCCCCCCCCCCCCCCCCCC(=O)O 1P003VHM [1,0,0,0,0,0|0,0,0]=1
7  B24R0.34120  CCCCCCCCCCCCCCCCCCCCCCC(N)=O 1P01KGGJ [1,0,0,0,0,0|1,0,0]=2
8  B24R0.34120  OCCCCCCCCCCCCCCCCCCCCCC(=O)O 1P00DMHU [1,0,0,0,0,0|0,0,0]=1
9  B26R0.25484  COC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)O 1P01XCTS [0,1,0,0,0,0|2,0,1]=4
10  B26R0.26422  CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC 1P003RR0 [0,1,0,0,0,0|1,0,0]=2
11  B26R0.26422  CCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C 1P0024RU [0,1,0,0,0,0|3,0,0]=4
12  B26R0.26422  CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC 1P003SGK [0,1,0,0,0,0|1,0,2]=4
13  B26R0.26425  CCCCCCCCCCCCCCCCCCCCCCC(C(=O)O)C 1P01IWRL [0,1,0,0,0,0|1,0,0]=2
14  B26R0.26425  CCCCCCCCCCCCCCCCCCCCCCC(C(=O)O)O 1P00DCZZ [0,1,0,0,0,0|1,0,0]=2
15  B26R0.27988  CCCCCCCCCCCCCCCCCCCCCC(CC(=O)O)O 1P01EQ91 [0,1,0,0,0,0|1,0,0]=2
16  B26R0.28341  CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O 1P003U1C [0,1,0,0,0,0|1,0,0]=2
17  B23R0.47  CCCCCCCCCCCCCCCCCCCCCCC=O 1P01RLV9 [2,0,0,0,0,0|0,0,0]=2
18  B23R0.47  CCCCCCCCCCCCCCCCCCCCCCCC 1P003V42 [2,0,0,0,0,0|1,0,1]=4
19  B23R0.47  OCCCCCCCCCCCCCCCCCCCCCCO 1P0037ZH [2,0,0,0,0,0|0,0,0]=2
20  B23R0.36959  CCCCCCCCCCCCCCCCCCCCCC(=O)N 1P003153 [2,0,0,0,0,0|1,0,0]=3
21  B23R0.36959  CCCCCCCCCCCCCCCCCCCCCC(=O)O 1P003QBO [2,0,0,0,0,0|0,0,0]=2
22  B23R0.36959  CCCCCCCCCCCCCCCCCCCCCC(=O)O 1P00BFKM [2,0,0,0,0,0|0,0,0]=2
23  B23R0.36959  CCCCCCCCCCCCCCCCCCCCCC(=O)[O-] 1P002Q7Y [2,0,0,0,0,0|0,0,1]=3
24  B23R0.36959  CCCCCCCCCCCCCCCCCCCCCC(=O)[O-] 1P003UT0 [2,0,0,0,0,0|0,0,1]=3
25  B23R0.36959  CCCCCCCCCCCCCCCCCCCCOC(=O)C 1P003TEX [2,0,0,0,0,0|2,0,0]=4
26  B23R0.36959  CCCCCCCCCC\C=C/CCCCCCCCCC(=O)O 1P0001OJ [2,0,0,0,0,0|0,0,2]=4
27  B23R0.36959  CCCCCCCC\C=C/CCCCCCCCCCCC(=O)O 1P007SKA [2,0,0,0,0,0|0,0,2]=4
28  B23R0.36959  CCCCCCCC\C=C\CCCCCCCCCCCC(=O)O 1P00DEBM [2,0,0,0,0,0|0,0,2]=4
29  B23R0.36959  OCCCCCCCCCCCCCCCCCCCCC(=O)O 1P01XCJJ [2,0,0,0,0,0|0,0,0]=2
30  B25R0.31396  CCCCCCCCCCCCCCCCCCCCCCCCC=C 1P002HB6 [1,1,0,0,0,0|2,0,0]=4
31  B25R0.16324  CCCCCCCCCCCCCCCCCCCC(=O)NCC(=O)O 1P00EC23 [1,1,0,0,0,0|1,0,1]=4
32  B25R0.21963  OC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)O 1P00DEUW [1,1,0,0,0,0|0,0,1]=3
33  B27R0.7629  CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC 1P003SIE [0,2,0,0,0,0|1,0,0]=3
34  B27R0.23235  CCCCCCCCCCCCCCCCCCCCCCC(C(=O)OC)O 1P00BGQ4 [0,2,0,0,0,0|1,0,0]=3
35  B27R0.24480  CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC 1P002PCD [0,2,0,0,0,0|1,0,0]=3
36  B27R0.13425  CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O 1P003RC9 [0,2,0,0,0,0|1,0,0]=3
37  B27R0.17601  OC(=O)CCCCCCCCCCCCCCCCCCCCCCC(=O)O 1P002OTO [0,2,0,0,0,0|0,0,0]=2