0  B4R0.1  CC(O)CO DB01839 [1,0,0,0,0,0|1,0,1]=3
1  B6R0.5  C[N+](C)(C)CCO DB00122 [0,1,0,0,0,0|1,0,2]=4
2  B6R0.5  C[N+](C)([11CH3])CCO DB09563 [0,1,0,0,0,0|1,0,2]=4
3  B3R0.1  NCCS DB00847 [2,0,0,0,0,0|1,1,0]=4
4  B3R0.2  CC(C)O DB02325 [2,0,0,0,0,0|0,0,1]=3
5  B3R0.2  CC(O)=O DB03166 [2,0,0,0,0,0|1,0,1]=4
6  B3R0.2  CC([O-])=O DB00258 [2,0,0,0,0,0|1,0,1]=4
7  B3R0.2  CC([O-])=O DB09395 [2,0,0,0,0,0|1,0,1]=4
8  B3R0.2  CS(C)=O DB01093 [2,0,0,0,0,0|1,0,0]=3
9  B5R0.3  OCC(O)CO DB09462 [1,1,0,0,0,0|1,0,1]=4
10  B5R0.3  OCC(S)CS DB06782 [1,1,0,0,0,0|1,0,1]=4
11  B5R0.5  CC(=O)C(O)=O DB00119 [1,1,0,0,0,0|1,0,1]=4
12  B5R0.5  CC(O)C(O)=O DB04398 [1,1,0,0,0,0|1,0,0]=3
13  B5R0.5  CC(O)C([O-])=O DB06768 [1,1,0,0,0,0|1,0,0]=3
14  B5R0.5  C[C@H](N)C(O)=O DB00160 [1,1,0,0,0,0|1,0,0]=3
15  B7R0.11  COC(C)(C)C[N+]#[C-] DB09161 [0,2,0,0,0,0|2,0,0]=4
16  B7R0.9  C[N+](C)(C)CC([O-])=O DB06756 [0,2,0,0,0,0|1,0,0]=3
17  B7R0.16  CC(C)[C@H](N)C(O)=O DB00161 [0,2,0,0,0,0|0,0,0]=2
18  B7R0.16  C[C@@H](O)[C@H](N)C(O)=O DB00156 [0,2,0,0,0,0|1,0,0]=3
19  B5R1.3  ClCC1CO1 DB00658 [1,0,0,1,0,0|2,0,0]=4