0  B7R0.5  C(CN)C(C(=O)O)N LS40104 [1,0,0,0,0,0|0,0,1]=2
1  B7R0.5  CCC[C@@H](C(=O)O)N LS30304 [1,0,0,0,0,0|1,0,1]=3
2  B7R0.6  C(#CC(=O)O)C(=O)O LS40108 [1,0,0,0,0,0|1,0,2]=4
3  B7R0.6  C(#CC(=O)[O-])C(=O)O LS40685 [1,0,0,0,0,0|1,0,2]=4
4  B7R0.6  C(CC(=O)O)C(=O)O LS40373 [1,0,0,0,0,0|1,0,0]=2
5  B7R0.6  C(CC(=O)[O-])C(=O)[O-] LS40932 [1,0,0,0,0,0|1,0,1]=3
6  B7R0.6  CC(=O)CCC(=O)O LS41171 [1,0,0,0,0,0|1,0,0]=2
7  B9R0.23  CC(C)C[C@@H](C(=O)OC)N LS30189 [0,1,0,0,0,0|2,0,1]=4
8  B9R0.79  C(C(C(=O)[O-])O)(C(=O)[O-])O LS60298 [0,1,0,0,0,0|2,0,1]=4
9  B9R1.35  C1CC(=O)N[C@H]1C(=O)O LS30084 [0,0,0,1,0,0|3,0,0]=4
10  B9R1.35  C1[C@H](CN[C@@H]1C(=O)O)O LS30143 [0,0,0,1,0,0|1,0,2]=4
11  B7R0.16  CC(C(=O)O)C(=O)O LS41650 [0,0,0,0,1,0|2,0,0]=3
12  B9R0.7  C[C@H](CSC(=O)C)C(=O)O LS30262 [0,0,0,0,0,1|2,0,0]=3
13  B6R0.2  C[C@@H](CC(=O)O)N LS30205 [2,0,0,0,0,0|1,0,1]=4
14  B6R0.2  C[C@H](CC(=O)O)N LS30206 [2,0,0,0,0,0|1,0,1]=4
15  B6R0.4  C=CCCC(=O)O LS41473 [2,0,0,0,0,0|1,0,0]=3
16  B6R0.3  C=C[C@@H](C(=O)O)N LS30533 [2,0,0,0,0,0|0,0,1]=3
17  B6R0.3  CC[C@@H](C(=O)O)O LS30082 [2,0,0,0,0,0|1,0,1]=4
18  B8R0.12  CC(C)(CC=C)C(=O)O LS40113 [1,1,0,0,0,0|2,0,0]=4
19  B8R0.9  C(CC(=O)O)C(=O)CN LS41389 [1,1,0,0,0,0|0,0,0]=2
20  B8R0.29  C(CS(=O)(=O)N)C(=O)O LS41699 [1,1,0,0,0,0|1,0,0]=3
21  B10R0.93  C(C(=O)O)(O)SC(C(=O)O)O LS40368 [0,1,0,0,0,1|2,0,0]=4
22  B8R1.4  C1CNC(=O)CC1N LS20121 [1,0,0,1,0,0|1,0,1]=4
23  B8R1.7  C1C=CCC1C(=O)O LS41644 [1,0,0,1,0,0|2,0,0]=4
24  B8R1.7  C1CNCC1C(=O)O LS20048 [1,0,0,1,0,0|1,0,1]=4
25  B8R1.23  C1C(CC1=O)C(=O)O LS00009 [1,0,0,1,0,0|1,0,0]=3
26  B8R1.78  C1CC(C1)(C(=O)O)N LS40291 [1,0,0,1,0,0|1,0,1]=4
27  B8R0.28  C(CC(=O)O)CC(=O)O LS41863 [1,0,0,0,0,1|1,0,0]=3