0  B8R0.1  C#CCCC(=O)CCO LN02210609 [1,0,0,0,0,0|1,0,2]=4
1  B8R0.1  CCOC(=O)CCCI LN00197663 [1,0,0,0,0,0|2,0,0]=3
2  B8R0.1  CCOC(=O)CCNC AC020893 [1,0,0,0,0,0|2,0,0]=3
3  B8R0.3  CCCC(Br)C(=O)OC AC020863 [1,0,0,0,0,0|2,0,0]=3
4  B8R0.3  CCC[C@@H](N)C(=O)OC AC020453 [1,0,0,0,0,0|2,0,0]=3
5  B8R0.3  CCOC(=O)[C@@H](N)CO AC511631 [1,0,0,0,0,0|3,0,0]=4
6  B8R0.3  COC(=O)C(Br)CCBr AC130072 [1,0,0,0,0,0|3,0,0]=4
7  B10R1.11  CCOC(=O)C1CCNC1 AC182738 [0,0,0,1,0,0|3,0,0]=4
8  B10R1.401  CCOC(=O)C1(N)CCC1 AC050357 [0,0,0,1,0,0|2,0,0]=3
9  B10R0.2  CCOC(=O)C[C@H](O)CC#N AC180987 [0,0,0,0,0,1|2,0,1]=4
10  B7R0.3  COC(=O)CCCBr AC511051 [2,0,0,0,0,0|2,0,0]=4
11  B7R0.3  COC(=O)CCCN AC510644 [2,0,0,0,0,0|2,0,0]=4
12  B7R0.7  CCCC(O)COC AC010185 [2,0,0,0,0,0|1,0,0]=3
13  B7R0.7  CCOC(=O)CCBr AC510407 [2,0,0,0,0,0|2,0,0]=4
14  B7R0.7  CCOC(=O)CCI AC180478 [2,0,0,0,0,0|2,0,0]=4
15  B7R0.7  COCC(=O)COC AC512018 [2,0,0,0,0,0|2,0,0]=4
16  B7R0.7  ClCCC(=O)CCCl AC270026 [2,0,0,0,0,0|2,0,0]=4
17  B7R0.5  CCC[C@H](N)C(O)=O AC180580 [2,0,0,0,0,0|2,0,0]=4
18  B7R0.5  NCC[C@H](O)C(O)=O AC181087 [2,0,0,0,0,0|2,0,0]=4
19  B7R0.10  COC(=O)[C@@H](O)CO AC070074 [2,0,0,0,0,0|2,0,0]=4
20  B9R0.5  CCOC(=O)CCCCBr AC511147 [1,1,0,0,0,0|1,0,0]=3
21  B9R0.5  CCOC(=O)COCCCl AC512070 [1,1,0,0,0,0|2,0,0]=4
22  B9R0.34  CCOC(=O)CC(=O)CC AC511712 [1,1,0,0,0,0|1,0,1]=4
23  B9R0.48  CCOC(=O)CCC(C)=O AC510825 [1,1,0,0,0,0|1,0,1]=4
24  B11R0.186  CCOC(=O)[C@@H](N)CC(C)(C)F AC050389 [0,2,0,0,0,0|2,0,0]=4
25  B11R0.61  CCOC(OCC)C(=O)OCC AC160489 [0,2,0,0,0,0|2,0,0]=4
26  B9R1.48  O=C1CCCCC(=O)C1 AC181368 [1,0,0,1,0,0|1,0,1]=4
27  B9R1.49  CN1CCCC(=O)CC1 AC182168 [1,0,0,1,0,0|1,0,0]=3
28  B9R1.49  CN1CCNC(=O)CC1 AC182365 [1,0,0,1,0,0|2,0,0]=4
29  B9R1.50  O=C1CCCCCCC1 AC510797 [1,0,0,1,0,0|0,0,0]=2
30  B9R1.73  CCOC(=O)C1CCC1 AC180015 [1,0,0,1,0,0|1,0,0]=3
31  B9R1.75  CCOC(=O)CC1CC1 AC050573 [1,0,0,1,0,0|1,0,0]=3
32  B9R1.5  CC1CCNCCC1=O LN00001918 [1,0,0,1,0,0|2,0,0]=4
33  B9R1.5  NC1CCCCNC1=O AC021266 [1,0,0,1,0,0|2,0,0]=4
34  B9R1.5  NC1CCCCNC1=O AC180582 [1,0,0,1,0,0|2,0,0]=4
35  B9R1.5  N[C@@H]1CCCCNC1=O AC180246 [1,0,0,1,0,0|2,0,0]=4
36  B9R1.5  N[C@H]1CCCCNC1=O AC180583 [1,0,0,1,0,0|2,0,0]=4
37  B9R1.11  COC(=O)C1CCCN1 AC511091 [1,0,0,1,0,0|2,0,0]=4
38  B9R1.11  COC(=O)[C@H]1CCCN1 AC021038 [1,0,0,1,0,0|2,0,0]=4
39  B11R1.16  CCOC(=O)C1CCCNC1 AC180120 [0,1,0,1,0,0|2,0,0]=4
40  B11R1.16  CCOC(=O)C1CCNCC1 AC500176 [0,1,0,1,0,0|2,0,0]=4
41  B11R1.16  CCOC(=O)C1CNCCO1 AC170090 [0,1,0,1,0,0|1,0,0]=3
42  B11R1.16  CCOC(=O)[C@H]1CCCNC1 AC181541 [0,1,0,1,0,0|2,0,0]=4
43  B11R1.86  CC(C)CN1CCCCC1=O AC210022 [0,1,0,1,0,0|2,0,0]=4