0  B5R0.5  CC(O)C(O)=O DB04398 [0,0,0,0,0,0|0,0,0]=0
1  B5R0.5  CC(O)C([O-])=O DB06768 [0,0,0,0,0,0|0,0,1]=1
2  B5R0.5  C[C@H](N)C(O)=O DB00160 [0,0,0,0,0,0|1,0,0]=1
3  B4R0.1  CC(=O)NO DB00551 [1,0,0,0,0,0|2,0,0]=3
4  B4R0.1  NC(=O)NO DB01005 [1,0,0,0,0,0|2,0,0]=3
5  B4R0.1  NCC(O)=O DB00145 [1,0,0,0,0,0|1,0,0]=2
6  B6R0.3  N[C@@H](CO)C(O)=O DB00133 [0,1,0,0,0,0|1,0,0]=2
7  B6R0.7  OC(=O)P(O)(O)=O DB00529 [0,1,0,0,0,0|2,0,0]=3
8  B3R0.2  CC(C)O DB02325 [2,0,0,0,0,0|0,0,1]=3
9  B3R0.2  CC([O-])=O DB00258 [2,0,0,0,0,0|0,0,1]=3
10  B3R0.2  CC([O-])=O DB03166 [2,0,0,0,0,0|0,0,1]=3
11  B3R0.2  CC([O-])=O DB09395 [2,0,0,0,0,0|0,0,1]=3
12  B3R0.2  CS(C)=O DB01093 [2,0,0,0,0,0|2,0,0]=4
13  B3R0.2  N[13C](O)=N DB09510 [2,0,0,0,0,0|2,0,0]=4
14  B3R0.2  N[14C](N)=O DB09513 [2,0,0,0,0,0|2,0,0]=4
15  B3R0.2  OC([O-])=O DB01390 [2,0,0,0,0,0|0,0,1]=3
16  B3R0.2  [O-]C([O-])=O DB06724 [2,0,0,0,0,0|0,0,2]=4
17  B3R0.2  [O-]C([O-])=O DB06792 [2,0,0,0,0,0|0,0,2]=4
18  B5R0.3  OCC(O)CO DB09462 [1,1,0,0,0,0|0,0,1]=3
19  B5R0.3  OCC(S)CS DB06782 [1,1,0,0,0,0|0,1,1]=4
20  B7R0.16  CC(C)[C@H](N)C(O)=O DB00161 [0,1,0,0,0,1|1,0,0]=3
21  B7R0.16  C[C@@H](O)[C@H](N)C(O)=O DB00156 [0,1,0,0,0,1|0,0,0]=2
22  B5R1.3  ClCC1CO1 DB00658 [1,0,0,1,0,0|1,0,1]=4
23  B7R1.4  N[C@@H]1CONC1=O DB00260 [0,1,0,1,0,0|1,0,0]=3