0  B7R0.6  CC(=O)CCC(=O)[O-] DB13800 [0,0,0,0,0,0|0,0,1]=1
1  B7R0.6  O=C(O)CCC(=O)O DB00139 [0,0,0,0,0,0|1,0,0]=1
2  B6R0.4  NCCCC(=O)O DB02530 [1,0,0,0,0,0|1,0,1]=3
3  B6R0.4  O=C([O-])CCCO DB01440 [1,0,0,0,0,0|1,0,1]=3
4  B6R0.4  O=C([O-])CCCO DB09072 [1,0,0,0,0,0|1,0,1]=3
5  B8R0.9  C=CC(N)CCC(=O)O DB01080 [0,1,0,0,0,0|1,0,2]=4
6  B8R0.9  NCC(=O)CCC(=O)O DB00855 [0,1,0,0,0,0|0,0,0]=1
7  B8R0.23  CC(C)C[C@H](N)C(=O)O DB00149 [0,1,0,0,0,0|1,0,1]=3
8  B8R0.23  CN(CC(=O)O)C(=N)N DB00148 [0,1,0,0,0,0|3,0,0]=4
9  B8R0.23  NC(=O)C[C@H](N)C(=O)O DB00174 [0,1,0,0,0,0|1,0,0]=2
10  B8R0.23  N[C@@H](CC(=O)O)C(=O)O DB00128 [0,1,0,0,0,0|1,0,0]=2
11  B7R0.16  CC(C)[C@H](N)C(=O)O DB00161 [0,1,0,0,1,0|1,0,1]=4
12  B7R0.16  C[C@@H](O)[C@H](N)C(=O)O DB00156 [0,1,0,0,1,0|0,0,2]=4
13  B9R0.7  NC(=O)CC[C@H](N)C(=O)O DB00130 [0,1,0,0,0,1|1,0,0]=3
14  B9R0.7  N[C@@H](CCC(=O)O)C(=O)O DB00142 [0,1,0,0,0,1|1,0,0]=3
15  B9R0.24  C(C(=O)OC)=CC(=O)OC DB08908 [0,2,0,0,0,0|0,0,2]=4
16  B9R0.24  COC(=O)CCC(=O)CN DB00992 [0,2,0,0,0,0|0,0,0]=2
17  B9R0.39  CC(=O)N[C@@H](CS)C(=O)O DB06151 [0,2,0,0,0,0|1,0,0]=3
18  B9R0.39  O=C(O)CC(S[Au])C(=O)[O-] DB09276 [0,2,0,0,0,0|1,0,0]=3
19  B9R0.79  O=C(O)[C@H](O)[C@@H](O)C(=O)O DB09459 [0,2,0,0,0,0|1,0,0]=3
20  B9R0.79  O=C(O)[C@H](S)[C@H](S)C(=O)O DB00566 [0,2,0,0,0,0|1,0,0]=3
21  B9R0.79  O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-] DB13707 [0,2,0,0,0,0|1,0,1]=4
22  B9R1.35  O=C(O)[C@@H]1C[C@@H](O)CN1 DB08847 [0,0,0,1,0,1|0,0,2]=4
23  B9R1.35  O=C1CC[C@@H](C(=O)O)N1 DB03088 [0,0,0,1,0,1|1,0,0]=3
24  B9R1.152  N[C@]1(C(=O)O)C[C@@H]([18F])C1 DB13146 [0,1,0,1,0,0|1,0,1]=4
25  B5R0.5  CC(=O)C(=O)O DB00119 [0,0,0,0,2,0|0,0,0]=2
26  B5R0.5  CC(O)C(=O)O DB04398 [0,0,0,0,2,0|0,0,2]=4
27  B5R0.5  C[C@H](N)C(=O)O DB00160 [0,0,0,0,2,0|1,0,1]=4