0  B9R0.7  C[C@H](CC[N+](=O)[O-])C(=O)O CS-0458456 [0,0,0,0,0,0|2,0,1]=3
1  B9R0.7  N[C@@H](CCC(=O)O)C(F)F CS-0907200 [0,0,0,0,0,0|2,0,1]=3
2  B8R0.8  C#CCCC(N)C(=O)O CS-0433729 [1,0,0,0,0,0|1,0,1]=3
3  B8R0.8  C#CCC[C@H](N)C(=O)O CS-0116067 [1,0,0,0,0,0|1,0,1]=3
4  B10R0.82  NC[C@H](O)CC[C@H](N)C(=O)O CS-0617435 [0,1,0,0,0,0|1,0,1]=3
5  B10R0.82  N[C@@H](CCC(=O)NO)C(=O)O CS-0142494 [0,1,0,0,0,0|0,0,0]=1
6  B10R0.92  CP(=O)(O)CCC(=O)C(=O)O CS-0498918 [0,1,0,0,0,0|2,0,1]=4
7  B10R0.92  N[C@@H](CCS(=O)(=O)O)C(=O)O CS-0173310 [0,1,0,0,0,0|1,0,0]=2
8  B10R1.13  O=C(O)[C@H]1CC[C@H](O)CN1 CS-0137643 [0,0,0,1,0,0|1,0,1]=3
9  B8R0.23  NC(CC(F)F)C(=O)O CS-0440461 [0,0,0,0,1,0|2,0,1]=4
10  B10R0.96  O=C(O)CCC(=O)CC(=O)O CS-0823444 [0,0,0,0,0,1|1,0,1]=3
11  B10R0.98  NC(=O)CCC[C@H](N)C(=O)O CS-0644028 [0,0,0,0,0,1|1,0,0]=2
12  B7R0.6  CC(O)CCC(=O)O CS-0278525 [2,0,0,0,0,0|1,0,0]=3
13  B7R0.6  C[C@@H](N)CCC(=O)O CS-0528624 [2,0,0,0,0,0|0,0,1]=3
14  B9R0.6  CCC[C@H](O)[C@@H](N)C(=O)O CS-0668161 [1,1,0,0,0,0|1,0,1]=4
15  B9R0.47  NC(CCCCO)C(=O)O CS-0044547 [1,1,0,0,0,0|0,0,1]=3
16  B9R0.57  NC(CS(=O)(=O)O)C(=O)O CS-0696026 [0,1,0,0,1,0|1,0,0]=3
17  B9R0.79  CC(=O)C(O)C(O)C(=O)O CS-0643187 [0,1,0,0,1,0|2,0,0]=4
18  B9R0.79  N[C@H](C(=O)O)[C@H](O)C(=O)O CS-0020448 [0,1,0,0,1,0|0,0,0]=2
19  B11R0.308  C[C@@H](OP(=O)(O)O)[C@H](N)C(=O)O CS-0059358 [0,2,0,0,0,0|2,0,0]=4
20  B11R0.169  NC(CC(F)(F)C(=O)O)C(=O)O CS-0089396 [0,2,0,0,0,0|0,0,0]=2
21  B11R0.290  COC(=O)C(N)CCS(C)(=O)=O CS-1175566 [0,2,0,0,0,0|1,0,1]=4
22  B11R0.141  [N-]=[N+]=CC(=O)CC[C@H](N)C(=O)O CS-0028442 [0,2,0,0,0,0|1,0,0]=3
23  B11R0.146  CCCC(CCC(=O)O)C(=O)O CS-0644105 [0,2,0,0,0,0|1,0,0]=3
24  B11R1.644  CC1(C)C[C@@H](C(=O)O)NC1=O CS-0442727 [0,1,0,1,0,0|2,0,0]=4
25  B7R0.16  O=C(O)C(Br)C(=O)O CS-0654424 [0,0,0,0,2,0|1,0,0]=3