0  B8R0.7  B(CCCCCC)(O)O LS11158 [0,0,0,0,0,0|1,0,3]=4
1  B8R0.7  CC(=O)OCCCCBr LS41690 [0,0,0,0,0,0|3,0,1]=4
2  B7R0.4  B(CCCCC)(O)O LS11156 [1,0,0,0,0,0|1,0,2]=4
3  B7R0.4  C(CCCl)CC(=O)Cl LS40493 [1,0,0,0,0,0|2,0,1]=4
4  B7R0.4  CCCCCC(=O)Cl LS40461 [1,0,0,0,0,0|1,0,1]=3
5  B7R0.4  CCC\C=C\C(=O)C LS41924 [1,0,0,0,0,0|1,0,0]=2
6  B7R0.4  CCO\C=C\C(=O)O LS40208 [1,0,0,0,0,0|1,0,0]=2
7  B9R0.2  C(CCCBr)CCC(=O)O LS40309 [0,1,0,0,0,0|0,0,2]=3
8  B9R0.2  CCCCCCOC(=O)Cl LS41130 [0,1,0,0,0,0|1,0,2]=4
9  B9R1.6  B(C1=CCCCC1)(O)O LS00044 [0,0,0,1,0,0|1,0,1]=3
10  B9R1.6  C1CC(CNC1)C(=O)O LS20781 [0,0,0,1,0,0|1,0,2]=4
11  B9R1.6  C1CCNC(C1)C(=O)O LS20780 [0,0,0,1,0,0|1,0,1]=3
12  B9R1.6  C1CCN[C@@H](C1)C(=O)O LS30195 [0,0,0,1,0,0|1,0,1]=3
13  B9R1.6  C1CNCCC1C(=O)O LS20782 [0,0,0,1,0,0|1,0,2]=4
14  B9R1.41  Cc1c(con1)C(=O)O LS20143 [0,0,0,1,0,0|2,0,1]=4
15  B9R1.41  Cn1c(ccn1)C(=O)O LS20083 [0,0,0,1,0,0|2,0,1]=4
16  B6R0.6  C=CCCCCO LS40909 [2,0,0,0,0,0|1,0,1]=4
17  B6R0.4  B(CCCC)(O)O LS11153 [2,0,0,0,0,0|1,0,1]=4
18  B6R0.4  C(CC(=O)Cl)CCl LS40415 [2,0,0,0,0,0|2,0,0]=4
19  B6R0.4  C=CCCC(=O)O LS41473 [2,0,0,0,0,0|0,0,2]=4
20  B8R0.28  CN(C)C\C=C\C(=O)O LS41142 [1,1,0,0,0,0|1,0,0]=3
21  B10R0.4  C(CCCC(=O)O)CCCBr LS41646 [0,2,0,0,0,0|0,0,2]=4
22  B8R1.2  C1CCC(CC1)C=O LS40273 [1,0,0,1,0,0|0,0,2]=4
23  B8R1.2  C1CCN(CC1)C=O LS20491 [1,0,0,1,0,0|1,0,1]=4
24  B8R1.1  C1=CC(=O)O[C@@H]1CO LS30091 [1,0,0,1,0,0|1,0,0]=3
25  B8R1.1  C1[C@@H](OC(=O)N1)CCl LS30235 [1,0,0,1,0,0|2,0,0]=4
26  B8R1.1  C1[C@H](OC(=O)N1)CCl LS30234 [1,0,0,1,0,0|2,0,0]=4
27  B8R1.7  C1CC(OC1)C(=O)O LS21156 [1,0,0,1,0,0|1,0,1]=4
28  B8R1.7  C1CNCC1C(=O)O LS20048 [1,0,0,1,0,0|1,0,1]=4
29  B8R1.7  C1C[C@@H](OC1)C(=O)O LS30181 [1,0,0,1,0,0|1,0,1]=4
30  B8R1.7  C1C[C@H](OC1)C(=O)O LS30180 [1,0,0,1,0,0|1,0,1]=4
31  B10R1.13  C1[C@@H](CC[C@@H](C1)N)C(=O)O LS30306 [0,1,0,1,0,0|0,0,2]=4
32  B10R1.61  CN1CCCCC1C(=O)O LS20275 [0,1,0,1,0,0|0,0,2]=4
33  B10R1.363  C1CCC(CC1)(C(=O)O)N LS41424 [0,1,0,1,0,0|0,0,2]=4