0  B15R0.164  B(CCCCCCCCCCCCC)(O)O B0S [0,0,0,0,0,0|1,0,1]=2
1  B15R0.164  CCCCCCCCCCCCCC(=O)O MYR [0,0,0,0,0,0|0,0,0]=0
2  B15R0.164  CCCC\C=C/CCCCCCCC(=O)O MYZ [0,0,0,0,0,0|0,0,2]=2
3  B14R0.392  CCCCCCCCCCCCCCC MYS [1,0,0,0,0,0|1,0,1]=3
4  B14R0.394  C(CCCCCC(=O)O)CCCCCBr BRC [1,0,0,0,0,0|1,0,0]=2
5  B14R0.394  C(CCCCCC(=O)O)CCCCCN DOA [1,0,0,0,0,0|1,0,0]=2
6  B14R0.394  C(CCCCCC(=O)O)CCCCCO 12H [1,0,0,0,0,0|1,0,0]=2
7  B14R0.394  CCCCCCCCCCCCC(=O)O TDA [1,0,0,0,0,0|0,0,0]=1
8  B16R0.274  CCCCCCCCCCCCCCC(=O)O F15 [0,1,0,0,0,0|0,0,0]=1
9  B16R0.302  CCCCCCCCCCCC(=O)CC(=O)O Z6X [0,1,0,0,0,0|0,0,1]=2
10  B16R0.302  CCCCCCCCCCC[C@H](CC(=O)O)O FTT [0,1,0,0,0,0|0,0,0]=1
11  B16R0.1188  CCCCCCCCCCCCOS(=O)(=O)O SDS [0,1,0,0,0,0|2,0,0]=3
12  B16R0.3288  C(CCCCCOC(=O)S)CCCCC(=O)O VZZ [0,1,0,0,0,0|2,0,1]=4
13  B13R0.336  C(CCCCCCBr)CCCCCO BDD [2,0,0,0,0,0|1,0,0]=3
14  B13R0.336  C(CCCCCCN)CCCCCN 297 [2,0,0,0,0,0|2,0,0]=4
15  B13R0.336  CCCCCCCCCCCCC=S 3LX [2,0,0,0,0,0|0,1,0]=3
16  B13R0.336  CCCCCCCCCCCCCC C14 [2,0,0,0,0,0|0,0,1]=3
17  B13R0.54  C(CCCCCS)CCCCC(=O)O MDX [2,0,0,0,0,0|1,0,0]=3
18  B13R0.54  CCCCCCCCCCCC(=O)O DAO [2,0,0,0,0,0|0,0,0]=2
19  B13R0.54  CCCCCCCCCCCC(=O)O LAU [2,0,0,0,0,0|0,0,0]=2
20  B13R0.54  CCCCCCCCCCOC(=O)S UDT [2,0,0,0,0,0|1,1,0]=4
21  B13R0.54  CCCCCCCCC\C=C\C(=O)O 3X1 [2,0,0,0,0,0|0,0,2]=4
22  B15R0.70  CCCCCCCCCCCCCCCC R16 [1,1,0,0,0,0|1,0,1]=4
23  B15R0.366  CCCCCCCCCCC[C@H](CC=O)O BFC [1,1,0,0,0,0|0,0,0]=2
24  B15R0.84  CCCCCCCCCSC[C@@H](C(=O)O)N GT9 [1,1,0,0,0,0|1,0,0]=3
25  B15R0.222  CC(C)CCCCCCC\C=C/CC(=O)O LNG [1,1,0,0,0,0|0,0,2]=4
26  B15R0.252  CCCCCCCCCCCCS(=O)(=O)[O-] DSC [1,1,0,0,0,0|1,0,1]=4
27  B17R0.186  CC[C@@H](C)CCCCCCCC[C@H](CC(=O)O)N AFC [0,2,0,0,0,0|0,0,0]=2
28  B17R0.43  CCCCCC/C=C\CCCCCCCC(=O)O PAM [0,2,0,0,0,0|0,0,0]=2
29  B17R0.43  CCCCCCCCCCCCCCCC(=O)O FAT [0,2,0,0,0,0|0,0,0]=2
30  B17R0.43  CCCCCCCCCCCCCCCC(=O)O PLM [0,2,0,0,0,0|0,0,0]=2
31  B17R0.116  CCCCCCCCCCCCC(=O)CC(=O)O LIM [0,2,0,0,0,0|0,0,0]=2
32  B17R0.197  C(CCCCCCOP(=O)(O)O)CCCCCO K12 [0,2,0,0,0,0|2,0,0]=4
33  B15R1.253  C1CCCCCNC(=O)[C@H](CCCC1)N RIN [1,0,0,1,0,0|2,0,0]=4
34  B15R1.11891  CCCCCCCCC[C@H]1C[C@@H]1C(=O)O Y39 [1,0,0,1,0,0|0,0,0]=2