0  B8R0.23  C=C(Br)C[C@@H](N)C(=O)O AD563-1 [0,1,0,0,0,0|2,0,0]=3
1  B8R0.23  C=C(Br)C[C@H](N)C(=O)O AL562-1 [0,1,0,0,0,0|2,0,0]=3
2  B8R0.23  CC(C)C[C@H](Br)C(=O)O RC406-1 [0,1,0,0,0,0|2,0,1]=4
3  B8R0.23  CC(C)[C@@H](N)CC(=O)O BD823-1 [0,1,0,0,0,0|2,0,1]=4
4  B8R0.23  CC(C)[C@H](N)CC(=O)O BL822-1 [0,1,0,0,0,0|2,0,1]=4
5  B8R0.23  C[C@@H](O)[C@H](N)CC(=O)O BL742-1 [0,1,0,0,0,0|1,0,1]=3
6  B8R0.23  C[C@H](Cl)C[C@H](N)C(=O)O RC228-1 [0,1,0,0,0,0|2,0,1]=4
7  B8R0.23  NC(=O)[C@@H](N)CC(=O)O RC105-1 [0,1,0,0,0,0|1,0,0]=2
8  B8R0.23  N[C@@H](CC(Cl)Cl)C(=O)O RC104-1 [0,1,0,0,0,0|2,0,1]=4
9  B6R0.2  C[C@@H](N)CC(=O)O BD703-1 [0,0,0,0,1,0|2,0,1]=4
10  B6R0.2  C[C@H](Br)CC(=O)O RC400-1 [0,0,0,0,1,0|2,0,1]=4
11  B6R0.2  C[C@H](N)CC(=O)O BL702-1 [0,0,0,0,1,0|2,0,1]=4
12  B7R0.2  NC[C@@H](N)CC(=O)O RC107-1 [1,1,0,0,0,0|1,0,1]=4
13  B7R0.2  NC[C@H](N)CC(=O)O RC108-1 [1,1,0,0,0,0|1,0,1]=4
14  B7R0.2  N[C@@H](CO)CC(=O)O BL792-1 [1,1,0,0,0,0|0,0,1]=3
15  B7R0.2  N[C@H](CO)CC(=O)O BD793-1 [1,1,0,0,0,0|0,0,1]=3
16  B7R0.5  C#CC[C@@H](N)C(=O)O AD377-1 [1,1,0,0,0,0|1,0,1]=4
17  B7R0.5  C#CC[C@H](N)C(=O)O AL376-1 [1,1,0,0,0,0|1,0,1]=4
18  B7R0.5  C=CC[C@@H](N)C(=O)O AD360-1 [1,1,0,0,0,0|1,0,0]=3
19  B7R0.5  C=CC[C@H](N)C(=O)O AL359-1 [1,1,0,0,0,0|1,0,0]=3
20  B7R0.5  CCC[C@H](Br)C(=O)O RC404-1 [1,1,0,0,0,0|1,0,1]=4
21  B7R0.5  N[C@@H](CCBr)C(=O)O RC109-1 [1,1,0,0,0,0|1,0,1]=4
22  B7R0.5  N[C@H](CCBr)C(=O)O RC110-1 [1,1,0,0,0,0|1,0,1]=4
23  B9R0.7  NC(=O)[C@H](N)CCC(=O)O RC113-1 [0,1,0,0,0,1|1,0,0]=3
24  B9R0.7  O=C(O)CC[C@H](Br)C(=O)O RC405-1 [0,1,0,0,0,1|0,0,0]=2
25  B9R0.7  O=C(O)CC[C@H](Cl)C(=O)O RC403-1 [0,1,0,0,0,1|0,0,0]=2
26  B9R0.7  O=C([O-])CC[C@@H](O)C(=O)[O-] RC402-1 [0,1,0,0,0,1|0,0,2]=4
27  B9R0.53  NC(CC(=O)O)CC(=O)O BL802-1 [0,1,0,0,0,1|0,0,0]=2
28  B9R0.79  N[C@@H](C(=O)O)[C@@H](F)C(=O)O RC229-1 [0,2,0,0,0,0|0,0,0]=2
29  B7R1.18  O=C(O)C1CNC1 AL392-1 [1,0,0,1,0,0|2,0,0]=4