0  B13R0.147  CCCCCCCCCCC(=O)OC SBB060594 [0,0,0,0,0,0|0,0,2]=2
1  B13R0.147  COC(=O)CCCCCCCCC=O SBB061580 [0,0,0,0,0,0|1,0,0]=1
2  B12R0.5  C=CCCCCCCCCCCC SBB009033 [1,0,0,0,0,0|1,0,1]=3
3  B12R0.5  CCCCCCCCCCCC=O SBB059874 [1,0,0,0,0,0|2,0,1]=4
4  B12R0.234  C#CCCCCCCCCC(=O)O SBB008483 [1,0,0,0,0,0|0,0,2]=3
5  B12R0.234  C=CCCCCCCCCC(=O)Cl SBB009003 [1,0,0,0,0,0|1,0,0]=2
6  B12R0.234  C=CCCCCCCCCC(=O)O SBB009049 [1,0,0,0,0,0|0,0,0]=1
7  B12R0.234  CCCCCCCCCCC(=O)Cl SBB060536 [1,0,0,0,0,0|1,0,2]=4
8  B12R0.234  CCCCCCCCCCC(=O)O SBB058709 [1,0,0,0,0,0|0,0,2]=3
9  B12R0.234  CCCCCCCCCOC(C)=O SBB060586 [1,0,0,0,0,0|1,0,2]=4
10  B12R0.248  CCCCCCCCCC(=O)NN SBB030321 [1,0,0,0,0,0|2,0,1]=4
11  B12R0.248  CCCCCCCCCC(=O)OC SBB060318 [1,0,0,0,0,0|0,0,1]=2
12  B12R0.248  CCCCCCCCOC(=O)CC SBB060314 [1,0,0,0,0,0|2,0,1]=4
13  B14R0.197  COC(=O)CCCCCCCC(=O)OC SBB060332 [0,1,0,0,0,0|1,0,2]=4
14  B14R0.337  CCCCCCCCCCCC(=O)OC SBB058684 [0,1,0,0,0,0|0,0,2]=3
15  B14R0.337  CCCCCCCCCCOC(=O)CC SBB056766 [0,1,0,0,0,0|1,0,2]=4
16  B14R0.337  COC(=O)CCCCCCCCCCCl SBB072738 [0,1,0,0,0,0|0,0,2]=3
17  B14R1.4408  O=C1CCCCCCCCCCCN1 SBB080680 [0,0,0,1,0,0|1,0,2]=4
18  B11R0.3  C=CCCCCCCCCCBr SBB059242 [2,0,0,0,0,0|1,0,1]=4
19  B11R0.3  C=CCCCCCCCCCC SBB059886 [2,0,0,0,0,0|0,0,1]=3
20  B11R0.3  C=CCCCCCCCCCO SBB009050 [2,0,0,0,0,0|0,0,1]=3
21  B11R0.3  CCCCCCCCCCC=O SBB059873 [2,0,0,0,0,0|0,0,2]=4
22  B11R0.148  CCCCCCCCCC(=O)Cl SBB060015 [2,0,0,0,0,0|1,0,1]=4
23  B11R0.148  CCCCCCCCCC(=O)O SBB060022 [2,0,0,0,0,0|0,0,1]=3
24  B11R0.148  CCCCCCCCCC(C)=O SBB060389 [2,0,0,0,0,0|0,0,1]=3
25  B11R0.148  CCCCCCCCCC(N)=O SBB061052 [2,0,0,0,0,0|1,0,1]=4
26  B11R0.148  CCCCCCCCOC(C)=O SBB060585 [2,0,0,0,0,0|1,0,1]=4
27  B11R0.148  CCCCSCCCCC(=O)O SBB019267 [2,0,0,0,0,0|1,0,1]=4
28  B11R0.40  CCCCCCC#CC(=O)OC SBB088197 [2,0,0,0,0,0|0,0,2]=4
29  B11R0.40  CCCCCCCCC(=O)NN SBB030320 [2,0,0,0,0,0|2,0,0]=4
30  B11R0.40  CCCCCCCCC(=O)OC SBB060593 [2,0,0,0,0,0|0,0,0]=2
31  B11R0.40  CCCCCCCOC(=O)CC SBB060313 [2,0,0,0,0,0|2,0,0]=4
32  B13R0.336  C=CCCCCCCCCCCCC SBB008940 [1,1,0,0,0,0|1,0,1]=4
33  B13R0.336  C=CCSCCCCCCCCCC SBB061595 [1,1,0,0,0,0|1,0,1]=4
34  B13R0.179  NC(=O)CCCCCCCCC(N)=O SBB060753 [1,1,0,0,0,0|2,0,0]=4
35  B13R0.179  O=C(Cl)CCCCCCCCC(=O)Cl SBB060018 [1,1,0,0,0,0|2,0,0]=4
36  B13R0.179  O=C(O)CCCCCCCCC(=O)O SBB060280 [1,1,0,0,0,0|1,0,0]=3
37  B15R0.111  CCOC(=O)CCCCCCCCC(=O)O SBB069512 [0,2,0,0,0,0|1,0,0]=3
38  B15R0.172  COC(=O)CCCCCCCCC(=O)OC SBB060773 [0,2,0,0,0,0|0,0,1]=3
39  B15R0.366  CCCCCCCCCCCC(=O)OCC SBB061073 [0,2,0,0,0,0|0,0,2]=4
40  B13R1.528  COC(=O)CCN1CCCCC1C SBB046521 [1,0,0,1,0,0|1,0,1]=4
41  B13R1.1711  COC(=O)CCN1CCCCCC1 SBB046517 [1,0,0,1,0,0|1,0,1]=4
42  B15R1.832  CCCCC1CC1CCCC(=O)OCC SBB020289 [0,1,0,1,0,0|0,0,2]=4