0  B7R0.6  CC(=O)CCC(=O)O LS41171 [0,0,0,0,0,0|1,0,3]=4
1  B6R0.2  B(CC(C)C)(O)O LS40457 [0,0,0,0,1,0|1,0,2]=4
2  B6R0.2  C[C@@H](CC(=O)O)N LS30205 [0,0,0,0,1,0|1,0,1]=3
3  B6R0.2  C[C@H](CC(=O)O)N LS30206 [0,0,0,0,1,0|1,0,1]=3
4  B8R0.28  CN(C)C\C=C\C(=O)O LS41142 [0,0,0,0,0,1|1,0,0]=2
5  B5R0.1  C(CO)C(=O)O LS40008 [2,0,0,0,0,0|1,0,1]=4
6  B5R0.1  CC#CC(=O)O LS40078 [2,0,0,0,0,0|0,0,2]=4
7  B7R0.2  COC(=O)CC(=O)O LS41603 [1,1,0,0,0,0|1,0,1]=4
8  B7R0.4  CCC\C=C\C(=O)C LS41924 [1,1,0,0,0,0|1,0,0]=3
9  B7R0.4  CCO\C=C\C(=O)O LS40208 [1,1,0,0,0,0|0,0,0]=2
10  B7R0.5  CCC[C@@H](C(=O)O)N LS30304 [1,1,0,0,0,0|0,0,2]=4
11  B9R0.23  CC(C)C[C@@H](C(=O)OC)N LS30189 [0,2,0,0,0,0|0,0,2]=4
12  B7R1.2  C[C@@H]1COC(=O)O1 LS30247 [1,0,0,1,0,0|1,0,1]=4
13  B7R1.2  C[C@H]1COC(=O)O1 LS30246 [1,0,0,1,0,0|1,0,1]=4
14  B7R1.3  C1COC(=O)CO1 LS40469 [1,0,0,1,0,0|1,0,1]=4
15  B9R1.35  Cc1ccc(s1)C(=O)O LS20662 [0,0,0,1,0,1|1,0,1]=4
16  B9R1.35  Cc1ncc(s1)C(=O)O LS21069 [0,0,0,1,0,1|1,0,1]=4
17  B9R1.138  CC1(CNC(=O)C1O)C LS40982 [0,1,0,1,0,0|1,0,1]=4
18  B5R0.5  B(C(C)C)(O)O LS11150 [0,0,0,0,2,0|1,0,1]=4
19  B5R0.5  CC(=O)C(=O)O LS41153 [0,0,0,0,2,0|1,0,1]=4
20  B5R0.5  CC(C(=O)O)Br LS40410 [0,0,0,0,2,0|1,0,0]=3
21  B5R0.5  C[C@@H](C(=O)O)Br LS30293 [0,0,0,0,2,0|1,0,0]=3
22  B5R0.5  C[C@@H](C(=O)O)Cl LS30117 [0,0,0,0,2,0|1,0,0]=3