0  B4R0.1  CC(=O)NO DB00551 [1,0,0,0,0,0|1,0,2]=4
1  B4R0.1  CC(O)CO DB01839 [1,0,0,0,0,0|0,0,0]=1
2  B4R0.1  NCC(O)=O DB00145 [1,0,0,0,0,0|2,0,1]=4
3  B4R0.1  OCC(O)=O DB03085 [1,0,0,0,0,0|1,0,1]=3
4  B6R0.3  N[C@@H](CO)C(O)=O DB00133 [0,1,0,0,0,0|1,0,1]=3
5  B6R0.3  N[C@@H](CS)C(O)=O DB00151 [0,1,0,0,0,0|1,1,1]=4
6  B6R0.4  OCCCC([O-])=O DB09072 [0,1,0,0,0,0|1,0,2]=4
7  B6R0.5  C[N+](C)(C)CCO DB00122 [0,1,0,0,0,0|2,0,0]=3
8  B6R0.5  C[N+](C)([11CH3])CCO DB09563 [0,1,0,0,0,0|2,0,0]=3
9  B6R0.5  NCCS(O)(=O)=O DB01956 [0,1,0,0,0,0|3,0,0]=4
10  B6R0.5  OS(=O)(=O)CCS DB09110 [0,1,0,0,0,0|2,1,0]=4
11  B3R0.1  NCCS DB00847 [2,0,0,0,0,0|1,1,0]=4
12  B3R0.2  CC(C)O DB02325 [2,0,0,0,0,0|0,0,0]=2
13  B3R0.2  CC(O)=O DB03166 [2,0,0,0,0,0|0,0,2]=4
14  B3R0.2  CS(C)=O DB01093 [2,0,0,0,0,0|1,0,1]=4
15  B3R0.2  OB(O)O DB11326 [2,0,0,0,0,0|2,0,0]=4
16  B5R0.3  OCC(O)CO DB09462 [1,1,0,0,0,0|0,0,0]=2
17  B5R0.3  OCC(S)CS DB06782 [1,1,0,0,0,0|0,1,0]=3
18  B5R0.5  CC(O)C(O)=O DB04398 [1,1,0,0,0,0|0,0,1]=3
19  B5R0.5  CC(O)C([O-])=O DB06768 [1,1,0,0,0,0|0,0,2]=4
20  B5R0.5  C[C@H](N)C(O)=O DB00160 [1,1,0,0,0,0|1,0,1]=4
21  B7R0.11  COC(C)(C)C[N+]#[C-] DB09161 [0,2,0,0,0,0|2,0,0]=4
22  B7R0.16  CC(C)[C@H](N)C(O)=O DB00161 [0,2,0,0,0,0|1,0,1]=4
23  B7R0.16  C[C@@H](O)[C@H](N)C(O)=O DB00156 [0,2,0,0,0,0|0,0,1]=3
24  B5R1.3  ClCC1CO1 DB00658 [1,0,0,1,0,0|1,0,0]=3