0  B8R0.9  C=CC(N)CCC(=O)O D00535 [0,0,0,0,0,0|0,0,0]=0
1  B8R0.9  NCC(=O)CCC(=O)O D02908 [0,0,0,0,0,0|2,0,2]=4
2  B8R0.9  NCC(=O)CCC(=O)O D07567 [0,0,0,0,0,0|2,0,2]=4
3  B9R0.7  NC(=O)CC[C@H](N)C(=O)O D00015 [0,1,0,0,0,0|2,0,0]=3
4  B9R0.7  NC(CCC(=O)O)C(=O)O D04341 [0,1,0,0,0,0|1,0,0]=2
5  B9R0.7  N[C@@H](CCC(=O)O)C(=O)O D00007 [0,1,0,0,0,0|1,0,0]=2
6  B9R0.7  N[C@@H](CCC(=O)O)C(=O)O D04480 [0,1,0,0,0,0|1,0,0]=2
7  B9R0.7  N[C@@H](CCC(=O)O)C(=O)O D07539 [0,1,0,0,0,0|1,0,0]=2
8  B9R0.7  N[C@@H](CCC(=O)[O-])C(=O)O D02280 [0,1,0,0,0,0|1,0,1]=3
9  B7R0.2  NCC(O)CC(=O)O D00174 [0,0,0,0,1,0|2,0,1]=4
10  B6R0.4  NCCCC(=O)O D00058 [2,0,0,0,0,0|0,0,0]=2
11  B6R0.4  O=C([O-])CCCO D05866 [2,0,0,0,0,0|1,0,1]=4
12  B6R0.6  O=CCCCC=O D01120 [2,0,0,0,0,0|1,0,0]=3
13  B8R0.7  NCCCCCC(=O)O D00160 [1,1,0,0,0,0|0,0,2]=4
14  B8R0.23  CC(C)C[C@H](N)C(=O)O D00030 [1,1,0,0,0,0|1,0,1]=4
15  B8R0.23  NC(=O)C[C@H](N)C(=O)O D09738 [1,1,0,0,0,0|1,0,1]=4
16  B10R0.98  NC(CSCC(=O)O)C(=O)O D06393 [0,1,0,0,0,1|1,0,0]=3
17  B10R0.98  N[C@@H](CSCC(=O)O)C(=O)O D00175 [0,1,0,0,0,1|1,0,0]=3
18  B10R0.98  N[C@@H](CSCC(=O)[O-])C(=O)O D07618 [0,1,0,0,0,1|1,0,1]=4
19  B8R1.7  O=C(O)[C@@H]1CCCN1 D00035 [1,0,0,1,0,0|1,0,1]=4
20  B6R0.3  N[C@@H](CO)C(=O)O D00016 [0,0,0,0,2,0|1,0,1]=4
21  B6R0.3  N[C@@H](CS)C(=O)O D00026 [0,0,0,0,2,0|1,0,1]=4
22  B6R0.3  N[C@@H](CS)C(=O)O D02326 [0,0,0,0,2,0|1,0,1]=4