0  B9R0.7  NC(=O)[C@H](N)CCC(=O)O RC113-1 [0,1,0,0,0,0|1,0,0]=2
1  B9R0.7  O=C(O)CC[C@H](Br)C(=O)O RC405-1 [0,1,0,0,0,0|2,0,0]=3
2  B9R0.7  O=C(O)CC[C@H](Cl)C(=O)O RC403-1 [0,1,0,0,0,0|2,0,0]=3
3  B9R0.7  O=C([O-])CC[C@@H](O)C(=O)[O-] RC402-1 [0,1,0,0,0,0|2,0,1]=4
4  B9R0.23  CC[C@@H](C)[C@H](N)CC(=O)O BL812-1 [0,1,0,0,0,0|1,0,2]=4
5  B9R1.35  N[C@@H]1C=C[C@H](C(=O)O)C1 AL398-1 [0,0,0,1,0,0|0,0,0]=1
6  B9R1.35  N[C@@H]1CC[C@H](C(=O)O)C1 AL402-1 [0,0,0,1,0,0|0,0,2]=3
7  B9R1.35  N[C@H]1C=C[C@@H](C(=O)O)C1 AD399-1 [0,0,0,1,0,0|0,0,0]=1
8  B9R1.35  N[C@H]1CC[C@@H](C(=O)O)C1 AD403-1 [0,0,0,1,0,0|0,0,2]=3
9  B7R0.2  NC[C@@H](N)CC(=O)O RC107-1 [0,0,0,0,1,0|1,0,1]=3
10  B7R0.2  NC[C@H](N)CC(=O)O RC108-1 [0,0,0,0,1,0|1,0,1]=3
11  B7R0.2  N[C@@H](CO)CC(=O)O BL792-1 [0,0,0,0,1,0|1,0,1]=3
12  B7R0.2  N[C@H](CO)CC(=O)O BD793-1 [0,0,0,0,1,0|1,0,1]=3
13  B8R0.5  C#CC[C@@H](N)CC(=O)O HD1025-1 [1,1,0,0,0,0|0,0,2]=4
14  B8R0.5  C#CC[C@H](N)CC(=O)O HL1020-1 [1,1,0,0,0,0|0,0,2]=4
15  B8R0.5  C=CC[C@@H](N)CC(=O)O HD935-1 [1,1,0,0,0,0|0,0,0]=2
16  B8R0.5  C=CC[C@H](N)CC(=O)O HL930-1 [1,1,0,0,0,0|0,0,0]=2
17  B8R0.23  C=C(Br)C[C@@H](N)C(=O)O AD563-1 [1,1,0,0,0,0|1,0,1]=4
18  B8R0.23  C=C(Br)C[C@H](N)C(=O)O AL562-1 [1,1,0,0,0,0|1,0,1]=4
19  B8R0.23  CC(C)C[C@H](Br)C(=O)O RC406-1 [1,1,0,0,0,0|1,0,1]=4
20  B8R0.23  CC(C)[C@@H](N)CC(=O)O BD823-1 [1,1,0,0,0,0|1,0,1]=4
21  B8R0.23  CC(C)[C@H](N)CC(=O)O BL822-1 [1,1,0,0,0,0|1,0,1]=4
22  B8R0.23  C[C@@H](O)[C@H](N)CC(=O)O BL742-1 [1,1,0,0,0,0|1,0,1]=4
23  B8R0.23  C[C@H](Cl)C[C@H](N)C(=O)O RC228-1 [1,1,0,0,0,0|1,0,1]=4
24  B8R0.23  NC(=O)[C@@H](N)CC(=O)O RC105-1 [1,1,0,0,0,0|1,0,1]=4
25  B8R0.23  N[C@@H](CC(Cl)Cl)C(=O)O RC104-1 [1,1,0,0,0,0|2,0,0]=4
26  B10R0.13  C[C@@H](CC(=O)O)[C@@H](N)C(=O)O RC237-1 [0,2,0,0,0,0|1,0,0]=3
27  B10R0.13  C[C@@H](CC(=O)O)[C@H](N)C(=O)O RC233-1 [0,2,0,0,0,0|1,0,0]=3
28  B10R0.13  C[C@H](CC(=O)O)[C@@H](N)C(=O)O RC222-1 [0,2,0,0,0,0|1,0,0]=3
29  B10R0.13  C[C@H](CC(=O)O)[C@H](N)C(=O)O RC223-1 [0,2,0,0,0,0|1,0,0]=3
30  B10R0.13  N[C@@H](C(=O)O)[C@H](O)CC(=O)O RC218-1 [0,2,0,0,0,0|1,0,0]=3
31  B10R0.93  N[C@@H](C[C@H](N)C(=O)O)C(=O)O RC226-1 [0,2,0,0,0,0|1,0,0]=3
32  B10R0.93  N[C@H](C[C@@H](N)C(=O)O)C(=O)O RC224-1 [0,2,0,0,0,0|1,0,0]=3
33  B10R0.93  N[C@H](C[C@H](O)C(=O)O)C(=O)O RC234-1 [0,2,0,0,0,0|1,0,0]=3
34  B10R0.96  NC(=O)CC[C@H](N)CC(=O)O BL862-1 [0,2,0,0,0,0|1,0,1]=4
35  B10R0.96  N[C@@H](CCC(=O)O)CC(=O)O BL752-1 [0,2,0,0,0,0|0,0,1]=3
36  B10R0.96  N[C@H](CCC(=O)O)CC(=O)O BD753-1 [0,2,0,0,0,0|0,0,1]=3
37  B6R0.2  C[C@@H](N)CC(=O)O BD703-1 [1,0,0,0,1,0|0,0,1]=3
38  B6R0.2  C[C@H](Br)CC(=O)O RC400-1 [1,0,0,0,1,0|1,0,1]=4
39  B6R0.2  C[C@H](N)CC(=O)O BL702-1 [1,0,0,0,1,0|0,0,1]=3
40  B6R0.3  C=C[C@@H](N)C(=O)O AD641-1 [0,0,0,0,2,0|0,0,0]=2