0  B8R0.7  B(CCCCCC)(O)O LS11158 [1,0,0,0,0,0|1,0,1]=3
1  B8R0.7  CC(=O)OCCCCBr LS41690 [1,0,0,0,0,0|3,0,0]=4
2  B8R0.8  CSCC[C@@H](C(=O)[O-])N LS41069 [1,0,0,0,0,0|2,0,1]=4
3  B10R1.363  C1CCC(CC1)(C(=O)O)N LS41424 [0,0,0,1,0,0|1,0,0]=2
4  B7R0.1  C(CCCF)CCO LS40659 [2,0,0,0,0,0|1,0,1]=4
5  B7R0.1  C(CCCO)CCN LS40173 [2,0,0,0,0,0|1,0,1]=4
6  B7R0.1  C(CCCS)CCO LS40174 [2,0,0,0,0,0|1,0,1]=4
7  B7R0.1  C=CCCCCCCl LS40295 [2,0,0,0,0,0|2,0,0]=4
8  B7R0.4  B(CCCCC)(O)O LS11156 [2,0,0,0,0,0|1,0,1]=4
9  B7R0.4  C(CCCl)CC(=O)Cl LS40493 [2,0,0,0,0,0|2,0,0]=4
10  B7R0.4  CCCCCC(=O)Cl LS40461 [2,0,0,0,0,0|1,0,0]=3
11  B7R0.5  C(CN)C(C(=O)O)N LS40104 [2,0,0,0,0,0|2,0,0]=4
12  B7R0.5  CCC[C@@H](C(=O)O)N LS30304 [2,0,0,0,0,0|1,0,0]=3
13  B9R0.2  C(CCCBr)CCC(=O)O LS40309 [1,1,0,0,0,0|0,0,0]=2
14  B9R0.2  CCCCCCOC(=O)Cl LS41130 [1,1,0,0,0,0|1,0,0]=3
15  B9R0.7  C[C@H](CSC(=O)C)C(=O)O LS30262 [1,1,0,0,0,0|1,0,1]=4
16  B9R1.6  B(C1CCCCC1)(O)O LS11159 [1,0,0,1,0,0|1,0,1]=4
17  B9R1.6  C1CC(CNC1)C(=O)O LS20781 [1,0,0,1,0,0|1,0,0]=3
18  B9R1.6  C1CCNC(C1)C(=O)O LS20780 [1,0,0,1,0,0|1,0,0]=3
19  B9R1.6  C1CCN[C@@H](C1)C(=O)O LS30195 [1,0,0,1,0,0|1,0,0]=3
20  B9R1.6  C1CNCCC1C(=O)N LS20797 [1,0,0,1,0,0|2,0,0]=4
21  B9R1.6  C1CNCCC1C(=O)O LS20782 [1,0,0,1,0,0|1,0,0]=3
22  B9R1.6  C1C[C@@H](CC=C1)C(=O)O LS00083 [1,0,0,1,0,0|0,0,2]=4
23  B9R1.35  C1[C@H](CN[C@@H]1C(=O)O)O LS30143 [1,0,0,1,0,0|2,0,0]=4