0  B7R0.6  C(C[N+](=O)[O-])C(=O)O 4849 [0,0,0,0,0,0|3,0,1]=4
1  B6R0.4  C(CC(=O)O)CN 0344 [1,0,0,0,0,0|1,0,2]=4
2  B6R0.4  C(\C=C\C(=O)O)N 0181 [1,0,0,0,0,0|1,0,2]=4
3  B6R0.4  C(\C=C\C(=O)O)O 0538 [1,0,0,0,0,0|1,0,2]=4
4  B8R0.9  C(CC(=O)O)C(=O)CN 5514 [0,1,0,0,0,0|1,0,1]=3
5  B8R0.9  COC(=O)\C=C\C(=O)O 4511 [0,1,0,0,0,0|1,0,1]=3
6  B8R0.23  C([C@@H](C(=O)O)N)C(=O)O 0214 [0,1,0,0,0,0|2,0,1]=4
7  B8R0.23  C([C@H](C(=O)O)N)C(=O)O 0213 [0,1,0,0,0,0|2,0,1]=4
8  B8R0.28  C(=C/SC(=N)N)/C(=O)O 0180 [0,0,0,0,0,1|2,0,1]=4
9  B5R0.1  C(CN)C(=O)O 0206 [2,0,0,0,0,0|1,0,1]=4
10  B5R0.1  CCCC(=O)[O-] 3850 [2,0,0,0,0,0|0,0,2]=4
11  B5R0.1  CNCC(=O)O 2975 [2,0,0,0,0,0|1,0,0]=3
12  B7R0.5  CNC[C@@H](C(=O)O)N 2538 [1,1,0,0,0,0|1,0,1]=4
13  B7R0.16  CC(C(=O)O)C(=O)O 4979 [0,1,0,0,1,0|2,0,0]=4
14  B9R0.24  COC(=O)\C=C\C(=O)OC 4512 [0,2,0,0,0,0|1,0,1]=4
15  B5R0.5  C[C@@H](C(=O)O)N 0205 [0,0,0,0,2,0|1,0,1]=4