0  B14R0.337  CCCCCCCCCCCC(=O)CC 6163AL [0,0,0,0,0,0|1,0,0]=1
1  B14R0.337  CCCCCCCCCCCC(=O)NC 8601AL [0,0,0,0,0,0|1,0,0]=1
2  B14R0.337  COC(=O)CCCCCCCCCCBr 8216AL [0,0,0,0,0,0|1,0,0]=1
3  B13R0.54  CCCCCCCCCCCC(C)N 3732AD [1,0,0,0,0,0|1,0,1]=3
4  B13R0.54  CCCCCCCCCCCC(C)O 5802AL [1,0,0,0,0,0|0,0,2]=3
5  B13R0.54  CCCCCCCCCCCC(N)=O 6046AF [1,0,0,0,0,0|1,0,0]=2
6  B13R0.54  CCCCCCCCC\C=C\C(=O)O 6027AF [1,0,0,0,0,0|0,0,2]=3
7  B13R0.147  CCCCCCCCC#CC(=O)OC 5807AL [1,0,0,0,0,0|0,0,2]=3
8  B13R0.147  COC(=O)CCCCCCCCC=O 8237AL [1,0,0,0,0,0|1,0,1]=3
9  B13R0.336  CCCCCCCCCCCCC#N 9273AL [1,0,0,0,0,0|2,0,1]=4
10  B13R0.336  CCCCCCCCCCCCC=O 9272AL [1,0,0,0,0,0|2,0,1]=4
11  B13R0.336  CCCCCCCCCCCCNC 7567AH [1,0,0,0,0,0|1,0,1]=3
12  B15R0.253  CCCCCCCCCCCC(OC)OC 8142AL [0,1,0,0,0,0|0,0,2]=3
13  B15R0.366  CCOC(=O)CCCCCCCCCCBr 7843AL [0,1,0,0,0,0|1,0,0]=2
14  B12R0.5  C=CCCCCCCCCCCC 4969AL [2,0,0,0,0,0|0,0,1]=3
15  B12R0.234  CCCCCCCCCCC(C)O 5599AL [2,0,0,0,0,0|0,0,2]=4
16  B12R0.234  CCCCCCCCCOC(C)=O 5905AF [2,0,0,0,0,0|1,0,0]=3
17  B12R0.234  CCCCCCCCOCC(=O)O 9714AB [2,0,0,0,0,0|1,0,0]=3
18  B12R0.248  COC(=O)CCCCCCCCO Y1474 [2,0,0,0,0,0|1,0,0]=3
19  B14R0.68  CC(C)CCCCCCC\C=C\C(=O)O 1160AH [1,1,0,0,0,0|0,0,2]=4
20  B14R0.88  CCCCCCCCCCCS(=O)(=O)[O-] 8969AL [1,1,0,0,0,0|1,0,1]=4
21  B14R0.394  CCCCCCCCCCCCB(O)O X0697 [1,1,0,0,0,0|1,0,1]=4
22  B14R0.394  CCCCCCCCCCCCS(C)=O 1375AQ [1,1,0,0,0,0|1,0,0]=3
23  B14R0.394  CCCCCCCCCC\C=C\C(=O)O 5803AL [1,1,0,0,0,0|0,0,1]=3
24  B14R0.394  O=C(O)CCCCCCCCCCCO W6586 [1,1,0,0,0,0|0,0,0]=2
25  B14R0.393  CCCCCCCCC#CC(=O)OCC 5806AL [1,1,0,0,0,0|0,0,2]=4
26  B14R0.145  CCCCCCCC(O)CCCCCC 6895AL [1,1,0,0,0,0|1,0,1]=4
27  B14R0.392  CCCCCCCCCCCCCCC V0208 [1,1,0,0,0,0|1,0,1]=4
28  B14R0.392  CCCCCCCCCCCCCCF 8905AE [1,1,0,0,0,0|1,0,1]=4
29  B14R0.392  CCCCCCCCCCCCCCS 7741AJ [1,1,0,0,0,0|1,0,1]=4
30  B16R0.61  CCCCCCCCCCCCC(=O)OCC 7897AL [0,2,0,0,0,0|0,0,0]=2
31  B16R0.221  C=CC(=O)NCCCCCCCCCCCC 8537AL [0,2,0,0,0,0|1,0,1]=4
32  B16R0.221  CCCCCCCCCCCCCC(=O)CC 6056AL [0,2,0,0,0,0|1,0,0]=3
33  B16R0.302  CCCCCCCCCCCC(=O)OC(C)C Z3809 [0,2,0,0,0,0|0,0,0]=2
34  B16R0.661  CCCCCCCCCCCC(=O)OCCCl 5573AL [0,2,0,0,0,0|0,0,0]=2
35  B14R1.4408  O=C1CCCCCCCCCCCO1 1382AQ [1,0,0,1,0,0|0,0,0]=2
36  B14R1.247  O=C1CCCCCCCCCCC1Cl 5570AL [1,0,0,1,0,0|2,0,0]=4
37  B14R1.62  CCCCCCCC1CCC\C1=N/O Y7744 [1,0,0,1,0,0|2,0,0]=4