0  B4R0.1  CC(=O)NO DB00551 [0,0,0,0,0,0|2,0,2]=4
1  B4R0.1  CC(O)CO DB01839 [0,0,0,0,0,0|1,0,2]=3
2  B3R0.1  NCCS DB00847 [1,0,0,0,0,0|1,1,1]=4
3  B3R0.2  CC(C)O DB02325 [1,0,0,0,0,0|0,0,1]=2
4  B3R0.2  CC(O)=O DB03166 [1,0,0,0,0,0|1,0,1]=3
5  B3R0.2  CC([O-])=O DB00258 [1,0,0,0,0,0|1,0,1]=3
6  B3R0.2  CC([O-])=O DB09395 [1,0,0,0,0,0|1,0,1]=3
7  B3R0.2  CS(C)=O DB01093 [1,0,0,0,0,0|1,0,0]=2
8  B3R0.2  N[14C](N)=O DB09513 [1,0,0,0,0,0|2,0,1]=4
9  B3R0.2  OC([O-])=O DB01390 [1,0,0,0,0,0|2,0,1]=4
10  B3R0.2  OC([O-])=O DB11098 [1,0,0,0,0,0|2,0,1]=4
11  B3R0.2  [O-]C([O-])=O DB06724 [1,0,0,0,0,0|2,0,1]=4
12  B3R0.2  [O-]C([O-])=O DB06792 [1,0,0,0,0,0|2,0,1]=4
13  B3R0.2  [O-]C([O-])=O DB09481 [1,0,0,0,0,0|2,0,1]=4
14  B3R0.2  [O-][N+]([O-])=O DB05260 [1,0,0,0,0,0|3,0,0]=4
15  B3R0.2  [O-][N+]([O-])=O DB11090 [1,0,0,0,0,0|3,0,0]=4
16  B5R0.3  OCC(O)CO DB09462 [0,1,0,0,0,0|1,0,2]=4
17  B5R0.3  OCC(S)CS DB06782 [0,1,0,0,0,0|1,0,2]=4
18  B5R0.5  CC(=O)C(O)=O DB00119 [0,1,0,0,0,0|1,0,1]=3
19  B5R0.5  CC(O)C(O)=O DB04398 [0,1,0,0,0,0|1,0,0]=2
20  B5R0.5  CC(O)C([O-])=O DB06768 [0,1,0,0,0,0|1,0,0]=2
21  B5R0.5  C[C@H](N)C(O)=O DB00160 [0,1,0,0,0,0|1,0,0]=2
22  B5R1.3  ClCC1CO1 DB00658 [0,0,0,1,0,0|2,0,1]=4
23  B2R0.1  CCO DB00898 [2,0,0,0,0,0|0,0,1]=3
24  B2R0.1  O=C=O DB09157 [2,0,0,0,0,0|1,0,1]=4
25  B2R0.1  O=[Ti]=O DB09536 [2,0,0,0,0,0|2,0,0]=4
26  B2R0.1  [O-]N=O DB09112 [2,0,0,0,0,0|2,0,0]=4
27  B6R0.3  N[C@@H](CO)C(O)=O DB00133 [0,2,0,0,0,0|1,0,0]=3
28  B6R0.3  N[C@@H](CS)C(O)=O DB00151 [0,2,0,0,0,0|1,0,0]=3