0  B11R0.3  BrCCCCCCCCCCBr AMY11211 [0,0,0,0,0,0|2,0,2]=4
1  B11R0.3  C#CCCCCCCCCCO AMY25626 [0,0,0,0,0,0|0,0,4]=4
2  B11R0.3  C=CCCCCCCCCCO AMY5942 [0,0,0,0,0,0|0,0,4]=4
3  B11R0.3  CCCCCCCCCCCO AMY5947 [0,0,0,0,0,0|0,0,2]=2
4  B11R0.3  CCCCCCCCNCCN AM20130031 [0,0,0,0,0,0|2,0,1]=3
5  B11R0.3  ClCCCCCCCCCCCl AMY9370 [0,0,0,0,0,0|2,0,2]=4
6  B11R0.3  NCCCCCCCCCCN AMY25748 [0,0,0,0,0,0|2,0,2]=4
7  B10R0.71  BrCCCCCCCCCBr AM20100162 [1,0,0,0,0,0|2,0,1]=4
8  B10R0.71  C=C\C=C\CCCCCCO AMY32027 [1,0,0,0,0,0|1,0,2]=4
9  B10R0.71  CCCCCCCCCCN AMY21843 [1,0,0,0,0,0|1,0,1]=3
10  B10R0.71  ClCCCCCCCCCCl AM20100798 [1,0,0,0,0,0|2,0,1]=4
11  B10R0.71  OCCCCCCCCCBr AMY4021 [1,0,0,0,0,0|1,0,1]=3
12  B10R0.71  OCCCCCCCCCO AMY22342 [1,0,0,0,0,0|1,0,1]=3
13  B12R0.1  CCOC(=O)CCCCCCCBr AM20090396 [0,1,0,0,0,0|3,0,0]=4
14  B12R0.1  CCOC(=O)CCCCCCCCl AMY8822 [0,1,0,0,0,0|3,0,0]=4
15  B12R0.5  OCCCCCCCCCCCBr AM84536 [0,1,0,0,0,0|0,0,2]=3
16  B12R0.5  OCCCCCCCCCCCS AMY37881 [0,1,0,0,0,0|0,0,2]=3
17  B12R0.234  CCCCCCCCCCB(O)O AMY1131 [0,1,0,0,0,0|1,0,2]=4
18  B12R0.234  CCCCCCCCCCC(=O)O AM85321 [0,1,0,0,0,0|0,0,3]=4
19  B12R0.234  CCCCCCCC\C=C\C(=O)O AMY21934 [0,1,0,0,0,0|0,0,1]=2
20  B12R0.234  O=C(O)\C=C\CCCCCCCO AMY22616 [0,1,0,0,0,0|1,0,1]=3
21  B12R1.8  OC\C=C/CO[C@@H]1CCCCO1 AM807224 [0,0,0,1,0,0|2,0,0]=3
22  B12R1.169  COC[C@H]1CCCCN1CCO AM92371 [0,0,0,1,0,0|2,0,1]=4
23  B12R1.267  CN1CCCC[C@@H]1CNCCO AM91365 [0,0,0,1,0,0|2,0,1]=4
24  B12R1.267  CN1CCCC[C@@H]1COCCO AM92260 [0,0,0,1,0,0|2,0,1]=4
25  B9R0.45  BrCCCCCCCCBr AMY11217 [2,0,0,0,0,0|2,0,0]=4
26  B9R0.45  C=CCCCCCCC=C AM84562 [2,0,0,0,0,0|0,0,2]=4
27  B9R0.45  CCCCCCCCC=O AMY15728 [2,0,0,0,0,0|0,0,1]=3
28  B9R0.45  NCCCOCCCCO AMY21928 [2,0,0,0,0,0|2,0,0]=4
29  B9R0.45  OCCCCCCCCCl AM62618 [2,0,0,0,0,0|1,0,0]=3
30  B11R0.40  CCCCCCCCC(=O)NO AM806756 [1,1,0,0,0,0|1,0,0]=3
31  B11R0.148  CC(C)CCCCCCCC=O AM20120576 [1,1,0,0,0,0|0,0,2]=4
32  B11R0.148  CC(C)CCCCCCCCO AM20120577 [1,1,0,0,0,0|0,0,1]=3
33  B11R0.148  CCCCCCCCOC(=O)Cl AMY4096 [1,1,0,0,0,0|1,0,1]=4
34  B11R0.148  O=C(O)CCCCCCCCBr AM803870 [1,1,0,0,0,0|1,0,1]=4
35  B11R0.148  O=C(O)CCCCCCCCO AM20100011 [1,1,0,0,0,0|1,0,1]=4
36  B13R0.54  CCCCCCCCC\C=C\C(=O)O AMY37907 [0,2,0,0,0,0|0,0,1]=3
37  B13R0.336  CCCCCCCCCCCCCO AMY5938 [0,2,0,0,0,0|0,0,2]=4
38  B13R0.336  OCCCCCCCCCCCCBr AMY6316 [0,2,0,0,0,0|0,0,2]=4