0  B12R0.239  CCCCCC(O)CC(=O)OCC MC114559 [0,0,0,0,0,0|0,0,0]=0
1  B11R0.4  CCCCCCCC(=O)OCC CS14101 [1,0,0,0,0,0|0,0,0]=1
2  B11R0.4  CCOC(=O)CCCCCCN CS14103 [1,0,0,0,0,0|1,0,0]=2
3  B13R0.89  CCOC(=O)CC(O)CC(=O)OCC MC42017 [0,1,0,0,0,0|1,0,1]=3
4  B13R1.20  CCOC(=O)CN1CCCC(O)C1 MC106219 [0,0,0,1,0,0|3,0,0]=4
5  B13R1.463  CCOC(=O)C1CCCCCC1=O MC429046 [0,0,0,1,0,0|0,0,2]=3
6  B13R1.2570  CCOC(=O)CC1(O)CCCCC1 CS12696 [0,0,0,1,0,0|0,0,0]=1
7  B11R0.155  CCOC(=O)C(N)CCCCN MC437850 [0,0,0,0,1,0|2,0,0]=3
8  B10R0.74  CCCCCCCC(=O)NO CS11097 [2,0,0,0,0,0|2,0,0]=4
9  B10R0.74  COC(=O)CCCCCCN CS14288 [2,0,0,0,0,0|1,0,0]=3
10  B10R0.2  CCOC(=O)CC(O)CC#N CS19605 [2,0,0,0,0,0|1,0,1]=4
11  B10R0.2  CCOC(=O)CC(O)CC#N MC20928 [2,0,0,0,0,0|1,0,1]=4
12  B10R0.6  CCCCCC(C)CC(=O)O MC112327 [2,0,0,0,0,0|1,0,0]=3
13  B12R0.1  CCOC(=O)CCCCCCCBr CS14864 [1,1,0,0,0,0|0,0,0]=2
14  B12R1.32  CCOC(=O)CC1CCCCC1 MC116206 [1,0,0,1,0,0|0,0,0]=2
15  B12R1.32  CCOC(=O)CC1CCNCC1 CS18641 [1,0,0,1,0,0|1,0,0]=3
16  B12R1.32  CCOC(=O)CC1CNCCN1 MC429670 [1,0,0,1,0,0|2,0,0]=4
17  B12R1.32  CCOC(=O)CN1CCNCC1 MC41684 [1,0,0,1,0,0|2,0,0]=4
18  B12R1.308  CCOC(=O)C1CCCCC1=O CS13797 [1,0,0,1,0,0|1,0,1]=4
19  B12R1.308  CCOC(=O)C1CCCCC1N MC106368 [1,0,0,1,0,0|1,0,0]=3
20  B12R1.308  CCOC(=O)C1CCCCC1O CS11393 [1,0,0,1,0,0|1,0,0]=3
21  B12R1.308  CCOC(=O)C1CCCCN1C CS18952 [1,0,0,1,0,0|1,0,0]=3
22  B12R1.308  CCOC(=O)C1CCCNC1C MC425240 [1,0,0,1,0,0|1,0,0]=3
23  B12R1.318  CCOC(=O)CC1CCCC1=O CS21730 [1,0,0,1,0,0|1,0,1]=4
24  B12R1.519  CCOC(=O)CC(=O)C1CCC1 MC442507 [1,0,0,1,0,0|0,0,2]=4
25  B12R1.35  CCOC#CC(O)C1CCCC1 MC115714 [1,0,0,1,0,0|0,0,2]=4
26  B12R1.17  CCOC(=O)C1CC(C)CCN1 CS15846 [0,0,0,1,1,0|2,0,0]=4
27  B12R1.17  CCOC(=O)C1CCCC(N)C1 CS16766 [0,0,0,1,1,0|2,0,0]=4
28  B12R1.1595  CCOC(=O)C1(C)CCCNC1 MC106607 [0,0,0,1,1,0|2,0,0]=4
29  B12R1.1595  CCOC(=O)C1(C)CCCNC1 MC441005 [0,0,0,1,1,0|2,0,0]=4
30  B12R1.1595  CCOC(=O)C1(C)CCNCC1 CS11366 [0,0,0,1,1,0|2,0,0]=4
31  B12R1.1595  CCOC(=O)C1(F)CCNCC1 MC31202 [0,0,0,1,1,0|2,0,0]=4
32  B14R2.9899  CCOC(=O)C1C2CCC(C2)C1N MC104373 [0,0,0,2,0,0|1,0,0]=3
33  B10R0.19  CCCCC(=O)C(=O)OCC CS11379 [1,0,0,0,1,0|0,0,2]=4
34  B10R0.19  CCOC(=O)C(N)CCSC MC437953 [1,0,0,0,1,0|2,0,0]=4
35  B10R0.19  CCOC(=O)C(N)CCSC MC437954 [1,0,0,0,1,0|2,0,0]=4
36  B10R0.19  CCOC(=O)C(N)CCSC MC439231 [1,0,0,0,1,0|2,0,0]=4
37  B10R0.83  COC(=O)C(N)CCCCN MC437851 [1,0,0,0,1,0|2,0,0]=4