0  B9R1.35  C1CC(=O)N[C@H]1C(=O)O LS30084 [0,0,0,0,0,0|0,0,0]=0
1  B9R1.35  C1[C@H](CN[C@@H]1C(=O)O)O LS30143 [0,0,0,0,0,0|2,0,2]=4
2  B8R1.7  C1C=CCC1C(=O)O LS41644 [1,0,0,0,0,0|1,0,1]=3
3  B8R1.7  C1CC(OC1)C(=O)O LS21156 [1,0,0,0,0,0|1,0,1]=3
4  B8R1.7  C1CNCC1C(=O)O LS20048 [1,0,0,0,0,0|2,0,0]=3
5  B8R1.7  C1C[C@@H](OC1)C(=O)O LS30181 [1,0,0,0,0,0|1,0,1]=3
6  B8R1.7  C1C[C@H](OC1)C(=O)O LS30180 [1,0,0,0,0,0|1,0,1]=3
7  B8R1.7  c1cc([nH]c1)C(=O)O LS20064 [1,0,0,0,0,0|0,0,3]=4
8  B8R1.7  c1cnc([nH]1)C(=O)O LS20563 [1,0,0,0,0,0|1,0,2]=4
9  B8R0.8  CSCC[C@@H](C(=O)[O-])N LS41069 [0,0,1,0,0,0|2,0,1]=4
10  B8R0.9  C(CC(=O)O)C(=O)CN LS41389 [0,0,1,0,0,0|2,0,0]=3
11  B8R0.28  C(CC(=O)O)CC(=O)O LS41863 [0,0,1,0,0,0|1,0,0]=2
12  B8R1.23  C1C(CC1=O)C(=O)O LS00009 [0,0,0,0,1,0|1,0,0]=2
13  B10R1.13  C1[C@@H](CC[C@@H](C1)N)C(=O)O LS30306 [0,0,0,0,0,1|2,0,1]=4
14  B10R1.13  CC(=O)N1CCC(=O)CC1 LS41887 [0,0,0,0,0,1|3,0,0]=4
15  B7R0.5  C(CN)C(C(=O)O)N LS40104 [1,0,1,0,0,0|1,0,0]=3
16  B7R0.5  CCC[C@@H](C(=O)O)N LS30304 [1,0,1,0,0,0|0,0,1]=3
17  B7R0.6  C(CC(=O)O)C(=O)O LS40373 [1,0,1,0,0,0|2,0,0]=4
18  B7R0.6  CC(=O)CCC(=O)O LS41171 [1,0,1,0,0,0|1,0,0]=3
19  B7R1.1  C1CCC(C1)C=O LS41696 [2,0,0,0,0,0|1,0,1]=4
20  B7R1.2  C1CC(=O)CC1=O LS41637 [2,0,0,0,0,0|1,0,1]=4
21  B7R1.2  C1[C@@H](CNC1=O)O LS30539 [2,0,0,0,0,0|2,0,0]=4
22  B7R1.2  C1[C@@H](COC1=O)O LS30540 [2,0,0,0,0,0|2,0,0]=4
23  B9R0.7  C[C@H](CSC(=O)C)C(=O)O LS30262 [0,1,1,0,0,0|2,0,0]=4
24  B9R1.6  C1CCNC(C1)C(=O)O LS20780 [0,0,1,1,0,0|1,0,1]=4
25  B9R1.6  C1CCN[C@@H](C1)C(=O)O LS30195 [0,0,1,1,0,0|1,0,1]=4
26  B9R1.6  C1C[C@@H](CC=C1)C(=O)O LS00083 [0,0,1,1,0,0|2,0,0]=4
27  B9R1.69  C1CC(=O)NC(=O)C1N LS20842 [0,0,1,1,0,0|1,0,0]=3
28  B9R1.69  C1CC(=O)NC(=O)C1N LS20843 [0,0,1,1,0,0|1,0,0]=3
29  B7R0.16  CC(C(=O)O)C(=O)O LS41650 [0,0,1,0,1,0|1,0,0]=3
30  B7R1.18  C1C(CN1)C(=O)O LS41152 [1,0,0,0,1,0|1,0,1]=4
31  B7R1.12  C1[C@@H]([C@@H]1F)C(=O)O LS30221 [0,0,0,0,2,0|1,0,1]=4