0  B11R0.3  CCCCCCCCNCCN MC106937 [0,0,0,0,0,0|2,0,0]=2
1  B11R0.3  CCCCCCCCOCCO MC437001 [0,0,0,0,0,0|1,0,0]=1
2  B11R0.3  CCCCCOCCOCCO MC436946 [0,0,0,0,0,0|2,0,0]=2
3  B11R0.3  O=CCCCCCCCCCBr MC114611 [0,0,0,0,0,0|1,0,2]=3
4  B10R0.71  BrCCCCCCCCCBr CS20559 [1,0,0,0,0,0|2,0,0]=3
5  B10R0.71  C=CCCCCCCCCBr CS20576 [1,0,0,0,0,0|1,0,2]=4
6  B10R0.71  ClCCCCCCCCCCl CS20560 [1,0,0,0,0,0|2,0,0]=3
7  B10R0.71  ClCCCCOCCCCCl MC21038 [1,0,0,0,0,0|3,0,0]=4
8  B12R0.1  CCCCCCCCS(=O)CCO MC437764 [0,1,0,0,0,0|1,0,0]=2
9  B12R0.1  CCOC(=O)CCCCCCCBr CS14864 [0,1,0,0,0,0|2,0,1]=4
10  B12R0.5  NCCOCCOCCOCCO CS20595 [0,1,0,0,0,0|3,0,0]=4
11  B12R0.5  OCCCCCCCCCCCBr MC10312 [0,1,0,0,0,0|0,0,0]=1
12  B12R0.5  OCCCCCCCCCCCO CS15877 [0,1,0,0,0,0|0,0,0]=1
13  B12R0.234  C=CCCCCCCCCC(=O)O MC41958 [0,1,0,0,0,0|0,0,3]=4
14  B12R1.8  OCCOCCN1CCNCC1 CS10589 [0,0,0,1,0,0|3,0,0]=4
15  B9R0.45  C#CCCCCCCCO MC424005 [2,0,0,0,0,0|0,0,2]=4
16  B9R0.45  CCCCCCCCNC CS15827 [2,0,0,0,0,0|1,0,0]=3
17  B9R0.45  ClCCCCCCCCCl CS20556 [2,0,0,0,0,0|2,0,0]=4
18  B9R0.45  OCCCCCCCCBr CS14609 [2,0,0,0,0,0|1,0,0]=3
19  B9R0.45  OCCCCCCCCO CS20567 [2,0,0,0,0,0|1,0,0]=3
20  B11R0.4  CCCCCCCC(=O)OCC CS14101 [1,1,0,0,0,0|1,0,1]=4
21  B11R0.148  O=C(O)CCCCCCCCBr CS21300 [1,1,0,0,0,0|1,0,1]=4
22  B13R0.54  O=C(O)CCCCCCCCCCBr MC41865 [0,2,0,0,0,0|0,0,1]=3
23  B13R0.336  COCCOCCOCCOCCO CS21327 [0,2,0,0,0,0|2,0,0]=4
24  B13R0.1129  CCCCCCS(=O)(=O)CCCCN MC116559 [0,2,0,0,0,0|2,0,0]=4
25  B13R0.280  CCCCCCCCCCS(=O)(=O)[O-] MC445023 [0,2,0,0,0,0|1,0,1]=4
26  B11R1.4  OCCCCOC1CCCO1 MC106866 [1,0,0,1,0,0|2,0,0]=4
27  B13R1.279  NC1CCCCCCCCCCC1 MC428212 [0,1,0,1,0,0|1,0,0]=3
28  B13R2.57  OCC1CCC2CNCCN2C1 MC104519 [0,0,0,2,0,0|2,0,0]=4