0  B13R0.54  C=CCCCCCCCCOC(C)=O 6986AL [0,0,0,0,0,0|2,0,2]=4
1  B13R0.54  CCCCCCCCCCOC(=O)Cl 7569AL [0,0,0,0,0,0|2,0,0]=2
2  B12R0.5  CCCCCCCCCCCCN 6054AF [1,0,0,0,0,0|1,0,1]=3
3  B12R0.5  CCCCCCSCCCCCC 7731AL [1,0,0,0,0,0|2,0,1]=4
4  B12R0.234  CCCCCCCCCOC(=O)Cl 7370AL [1,0,0,0,0,0|2,0,0]=3
5  B12R0.234  CCCCCCCC\C=C\C(=O)O 5804AL [1,0,0,0,0,0|0,0,2]=3
6  B12R0.234  CCCCCCC\C=C\CC(C)=O W1227 [1,0,0,0,0,0|1,0,2]=4
7  B14R0.88  CCCCCCCCCCCP(=O)(O)O 9392AL [0,1,0,0,0,0|1,0,0]=2
8  B14R0.337  CCCCCCCCCCNC(=O)CBr 1298AQ [0,1,0,0,0,0|2,0,0]=3
9  B14R0.340  CCCCCCCCCCC(N)C(=O)O 4364AB [0,1,0,0,0,0|0,0,0]=1
10  B14R0.391  CCCCCCCCOC(=O)CC(C)=O 5269AD [0,1,0,0,0,0|2,0,1]=4
11  B14R0.394  CCCCCCCCCCCCC(C)=O 5800AL [0,1,0,0,0,0|1,0,0]=2
12  B14R0.394  CCCCCCCCCCCCC(C)I 7958AJ [0,1,0,0,0,0|2,0,1]=4
13  B14R0.394  CCCCCCCCCCCCC(C)O 5799AL [0,1,0,0,0,0|1,0,1]=3
14  B14R0.394  NCCOCCOCCOCCC(=O)O 0433AP [0,1,0,0,0,0|3,0,0]=4
15  B14R0.394  O=C(O)CCCCCCCCCCCS 0620AQ [0,1,0,0,0,0|0,0,0]=1
16  B14R1.4728  CCCCCCCCC1CC1C(=O)O 5031AD [0,0,0,1,0,0|0,0,0]=1
17  B11R0.3  C=CCOCCCCCCCC 7032AL [2,0,0,0,0,0|1,0,1]=4
18  B11R0.3  CCCCCCCNCCCN 7233AE [2,0,0,0,0,0|2,0,0]=4
19  B11R0.3  SCCCCCCCCCCS 4345AL [2,0,0,0,0,0|1,1,0]=4
20  B11R0.148  CCCCCCCCCC(N)=O 7564AL [2,0,0,0,0,0|1,0,0]=3
21  B11R0.148  CCCCCCCCOC(=O)Cl 7369AL [2,0,0,0,0,0|2,0,0]=4
22  B11R0.148  CCCCCCC\C=C/C(=O)O Z1707 [2,0,0,0,0,0|0,0,2]=4
23  B11R0.148  CCCCCC\C=C\CC(=O)O 6032AL [2,0,0,0,0,0|0,0,2]=4
24  B13R0.336  CCCCCCCCCCCCCCl V1938 [1,1,0,0,0,0|1,0,1]=4
25  B13R0.336  CCCCCCCCCNCCC#N 3041AF [1,1,0,0,0,0|1,0,1]=4
26  B13R0.280  CCCCCCCCCCP(=O)(O)O 0617AC [1,1,0,0,0,0|1,0,0]=3
27  B15R0.164  C#CCCCCCCCCCCCC(=O)O 1200AH [0,2,0,0,0,0|0,0,0]=2
28  B15R0.164  COCCOCCOCCOCCC(=O)O 0492AP [0,2,0,0,0,0|2,0,0]=4
29  B15R0.222  O=C(Cl)CCCCCCCCCCC(=O)Cl 7817AL [0,2,0,0,0,0|1,0,1]=4
30  B13R1.28  CCCCCCCC1CCCCC1 8573AL [1,0,0,1,0,0|1,0,1]=4
31  B13R1.279  O=C1CCCCCCCCCCO1 1381AQ [1,0,0,1,0,0|1,0,0]=3
32  B13R1.2883  C1CCCCCCNCCCCC1 9341AD [1,0,0,1,0,0|1,0,1]=4
33  B13R1.1988  O=C(O)CCCN1CCCCCC1 9226AE [1,0,0,1,0,0|1,0,0]=3
34  B15R1.16777  O=C(O)CCC(=O)NC1CCCCCC1 5357AE [0,1,0,1,0,0|1,0,1]=4
35  B15R2.1428  CCCCC1OC(=O)C2=CCCCC21 V0337 [0,0,0,2,0,0|0,0,2]=4