0  B9R1.6  B(C1CCCCC1)(O)O LS11159 [1,0,0,0,0,0|1,0,1]=3
1  B9R1.6  C1CC(CNC1)C(=O)O LS20781 [1,0,0,0,0,0|1,0,0]=2
2  B9R1.6  C1CCNC(C1)C(=O)O LS20780 [1,0,0,0,0,0|1,0,0]=2
3  B9R1.6  C1CCN[C@@H](C1)C(=O)O LS30195 [1,0,0,0,0,0|1,0,0]=2
4  B9R1.6  C1CNCCC1C(=O)N LS20797 [1,0,0,0,0,0|2,0,0]=3
5  B9R1.6  C1CNCCC1C(=O)O LS20782 [1,0,0,0,0,0|1,0,0]=2
6  B9R1.6  C1C[C@@H](CC=C1)C(=O)O LS00083 [1,0,0,0,0,0|0,0,2]=3
7  B11R1.16  CCOC(=O)C1CCCNC1 LS20466 [0,1,0,0,0,0|1,0,0]=2
8  B11R1.16  CCOC(=O)C1CCNCC1 LS20900 [0,1,0,0,0,0|1,0,0]=2
9  B11R1.16  CCOC(=O)C1CCNCC1 LS20901 [0,1,0,0,0,0|1,0,0]=2
10  B11R1.16  CCOC(=O)[C@@H]1CCCNC1 LS30126 [0,1,0,0,0,0|1,0,0]=2
11  B9R1.11  COC(=O)C1=CCCC1 LS20758 [0,0,0,0,1,0|0,0,2]=3
12  B11R1.40  COC(=O)C[C@@H]1COCCN1 LS30216 [0,0,0,0,0,1|2,0,0]=3
13  B8R0.20  CCC(=O)N(CC)CC LS41679 [1,0,1,0,0,0|2,0,0]=4
14  B8R0.7  B(CCCCCC)(O)O LS11158 [1,0,1,0,0,0|1,0,1]=4
15  B8R0.7  CC(=O)OCCCCBr LS41690 [1,0,1,0,0,0|2,0,0]=4
16  B8R1.2  C1CCC(CC1)C=O LS40273 [2,0,0,0,0,0|0,0,0]=2
17  B8R1.2  C1CCC(CC1)CN LS40038 [2,0,0,0,0,0|1,0,1]=4
18  B8R1.2  C1CCN(CC1)C=O LS20491 [2,0,0,0,0,0|1,0,0]=3
19  B8R1.2  C1CCOC(C1)CO LS20884 [2,0,0,0,0,0|1,0,1]=4
20  B8R1.2  CNC1CCCNC1 LS20138 [2,0,0,0,0,0|2,0,0]=4
21  B8R1.2  CSC1CCNCC1 LS20119 [2,0,0,0,0,0|1,1,0]=4
22  B10R1.13  C1[C@@H](CC[C@@H](C1)N)C(=O)O LS30306 [1,1,0,0,0,0|0,0,0]=2
23  B10R1.13  CC(=O)N1CCC(=O)CC1 LS41887 [1,1,0,0,0,0|1,0,1]=4
24  B10R1.13  CC1CCC(CC1)C(C)C LS41936 [1,1,0,0,0,0|1,0,1]=4
25  B10R1.28  CC(C)(C)C1CCCCC1 LS40653 [1,1,0,0,0,0|1,0,1]=4
26  B10R1.61  CN1CCCCC1C(=O)O LS20275 [1,1,0,0,0,0|1,0,0]=3
27  B10R1.363  C1CCC(CC1)(C(=O)O)N LS41424 [1,1,0,0,0,0|0,0,0]=2
28  B10R1.411  COC(=O)C1(CCCC1)N LS41421 [0,1,0,0,1,0|0,0,0]=2
29  B12R1.16  CCOC(=O)N1CCC(=O)CC1 LS20437 [0,2,0,0,0,0|1,0,1]=4
30  B12R1.16  CCOC(=O)N1CCC(CC1)N LS20680 [0,2,0,0,0,0|1,0,0]=3
31  B12R1.16  CCOC(=O)N1CCC(CC1)O LS20691 [0,2,0,0,0,0|1,0,0]=3
32  B10R1.29  CCCCN1CCCC1=O LS40516 [0,0,1,1,0,0|2,0,0]=4
33  B10R2.62  C1CN2CCC1C(=O)C2 LS20486 [1,0,0,1,0,0|1,0,0]=3
34  B12R2.2918  C1CCC2(CC1)CC(=O)NC2 LS41265 [0,0,0,1,0,1|1,0,0]=3
35  B12R2.2918  C1CNCCC12CC(=O)NC2 LS40403 [0,0,0,1,0,1|2,0,0]=4
36  B8R1.7  B(C1CCCC1)(O)O LS11157 [1,0,0,0,1,0|1,0,1]=4
37  B8R1.7  C1C=CCC1C(=O)O LS41644 [1,0,0,0,1,0|0,0,2]=4
38  B8R1.7  C1CC(OC1)C(=O)O LS21156 [1,0,0,0,1,0|1,0,0]=3
39  B8R1.7  C1CNCC1C(=O)O LS20048 [1,0,0,0,1,0|1,0,0]=3
40  B8R1.7  C1C[C@@H](OC1)C(=O)O LS30181 [1,0,0,0,1,0|1,0,0]=3
41  B8R1.7  C1C[C@H](OC1)C(=O)O LS30180 [1,0,0,0,1,0|1,0,0]=3