0  B11R0.148  CCCCCCC\C=C\C(=O)O MC424008 [0,0,0,0,0,0|2,0,1]=3
1  B11R0.148  O=C(O)CCCCCCCCBr CS21300 [0,0,0,0,0,0|3,0,0]=3
2  B10R0.4  CCCCCCCCB(O)O MC31112 [1,0,0,0,0,0|2,0,1]=4
3  B10R0.4  CCCCCCCCC(C)C CS21688 [1,0,0,0,0,0|1,0,1]=3
4  B10R0.71  C=CCCCCCCCCBr CS20576 [1,0,0,0,0,0|2,0,1]=4
5  B10R0.71  C=COOOCCCCCC MC437734 [1,0,0,0,0,0|2,0,1]=4
6  B12R0.119  CCCCCCCCCS(=O)(=O)[O-] MC445022 [0,1,0,0,0,0|3,0,0]=4
7  B12R0.234  C=CCCCCCCCCC(=O)O MC41958 [0,1,0,0,0,0|2,0,1]=4
8  B12R0.234  O=C(O)\C=C\CCCCCCCO CS13683 [0,1,0,0,0,0|2,0,1]=4
9  B12R0.251  CCCCCCCCC(N)C(=O)O MC428037 [0,1,0,0,0,0|2,0,0]=3
10  B12R1.75  COC1CCCNC1CC(C)=O MC445565 [0,0,0,1,0,0|3,0,0]=4
11  B9R0.2  CCCCCCCC(=O)Cl MC40496 [2,0,0,0,0,0|1,0,0]=3
12  B9R0.2  CCCCCCOC(=O)Cl CS11449 [2,0,0,0,0,0|1,0,0]=3
13  B9R0.2  CCCSCCCC(=O)O MC112372 [2,0,0,0,0,0|2,0,0]=4
14  B9R0.2  NCCCCCCC(=O)O CS10138 [2,0,0,0,0,0|2,0,0]=4
15  B9R0.2  O=C(O)CCCCCCO CS10820 [2,0,0,0,0,0|2,0,0]=4
16  B9R0.45  CCCCCCCCNC CS15827 [2,0,0,0,0,0|1,0,0]=3
17  B11R0.2  CCCCCCC(C)CC(=O)O MC112332 [1,1,0,0,0,0|1,0,0]=3
18  B11R0.159  CCCCCCCCS(=O)(=O)Cl MC32081 [1,1,0,0,0,0|2,0,0]=4
19  B11R0.159  CCCCCCCCS(=O)(=O)F MC32082 [1,1,0,0,0,0|2,0,0]=4
20  B11R0.159  CCCCCCCCS(=O)(=O)O MC32083 [1,1,0,0,0,0|2,0,0]=4
21  B11R0.159  CCCCCCCCS(=O)(=O)[O-] MC32084 [1,1,0,0,0,0|2,0,0]=4
22  B11R0.159  CCCCCCCCS(=O)(=O)[O-] MC445028 [1,1,0,0,0,0|2,0,0]=4
23  B11R0.159  CCCCCCCCS(N)(=O)=O MC32085 [1,1,0,0,0,0|2,0,0]=4
24  B11R0.3  C=COOOCCCCCCC MC437723 [1,1,0,0,0,0|1,0,1]=4
25  B11R0.3  CCCCCCCCNCCN MC106937 [1,1,0,0,0,0|1,0,1]=4
26  B11R0.3  CCCCCCCCOCCO MC437001 [1,1,0,0,0,0|0,0,1]=3
27  B11R0.3  CCCCCOCCOCCO MC436946 [1,1,0,0,0,0|1,0,1]=4
28  B11R0.3  O=CCCCCCCCCCBr MC114611 [1,1,0,0,0,0|1,0,0]=3
29  B11R0.4  CCCCCCCC(=O)OCC CS14101 [1,1,0,0,0,0|0,0,2]=4
30  B13R0.54  O=C(O)CCCCCCCCCCBr MC41865 [0,2,0,0,0,0|2,0,0]=4
31  B13R0.147  CCCCCCC\C=C\CC(=O)CC MC114620 [0,2,0,0,0,0|1,0,1]=4
32  B13R2.13  O=C1CCCN(C2CCCC2)C1 CS17027 [0,0,0,2,0,0|2,0,0]=4
33  B13R2.11128  O=C1NC2(CCCNC2)CCO1 MC102345 [0,0,0,2,0,0|2,0,0]=4
34  B13R2.11128  O=C1NC2(CCNCC2)CCO1 MC102346 [0,0,0,2,0,0|2,0,0]=4