0  B7R0.2  NC[C@@H](N)CC(=O)O RC107-1 [0,0,0,0,0,0|2,0,0]=2
1  B7R0.2  NC[C@H](N)CC(=O)O RC108-1 [0,0,0,0,0,0|2,0,0]=2
2  B7R0.2  N[C@@H](CO)CC(=O)O BL792-1 [0,0,0,0,0,0|2,0,0]=2
3  B7R0.2  N[C@H](CO)CC(=O)O BD793-1 [0,0,0,0,0,0|2,0,0]=2
4  B6R0.1  OCC[C@H](O)CBr RC600-1 [1,0,0,0,0,0|2,0,1]=4
5  B6R0.2  C[C@@H](N)CC(=O)O BD703-1 [1,0,0,0,0,0|1,0,0]=2
6  B6R0.2  C[C@H](Br)CC(=O)O RC400-1 [1,0,0,0,0,0|1,0,0]=2
7  B6R0.2  C[C@H](N)CC(=O)O BL702-1 [1,0,0,0,0,0|1,0,0]=2
8  B8R0.5  C#CC[C@@H](N)CC(=O)O HD1025-1 [0,1,0,0,0,0|1,0,1]=3
9  B8R0.5  C#CC[C@H](N)CC(=O)O HL1020-1 [0,1,0,0,0,0|1,0,1]=3
10  B8R0.5  C=CC[C@@H](N)CC(=O)O HD935-1 [0,1,0,0,0,0|1,0,1]=3
11  B8R0.5  C=CC[C@H](N)CC(=O)O HL930-1 [0,1,0,0,0,0|1,0,1]=3
12  B8R0.23  CC(C)[C@@H](N)CC(=O)O BD823-1 [0,1,0,0,0,0|1,0,0]=2
13  B8R0.23  CC(C)[C@H](N)CC(=O)O BL822-1 [0,1,0,0,0,0|1,0,0]=2
14  B8R0.23  C[C@@H](O)[C@H](N)CC(=O)O BL742-1 [0,1,0,0,0,0|1,0,0]=2
15  B8R0.23  NC(=O)[C@@H](N)CC(=O)O RC105-1 [0,1,0,0,0,0|2,0,1]=4
16  B8R0.24  CC[C@H](C)OS(C)(=O)=O RC601-1 [0,1,0,0,0,0|2,0,1]=4
17  B6R0.3  C=C[C@@H](N)C(=O)O AD641-1 [0,0,0,0,1,0|1,0,2]=4
18  B6R0.3  C[C@@H](CN)C(=O)O AD1201-1 [0,0,0,0,1,0|1,0,0]=2
19  B6R0.3  C[C@H](CN)C(=O)O AL1200-1 [0,0,0,0,1,0|1,0,0]=2
20  B7R0.16  C[C@@H](N)[C@@H](N)C(=O)O RC219-1 [1,1,0,0,0,0|1,0,0]=3
21  B7R0.16  C[C@H](N)[C@@H](N)C(=O)O RC221-1 [1,1,0,0,0,0|1,0,0]=3
22  B7R0.16  C[C@H](N)[C@H](N)C(=O)O RC220-1 [1,1,0,0,0,0|1,0,0]=3
23  B7R0.13  CC[C@@](C)(N)C(=O)O AD598-1 [0,1,0,0,1,0|0,0,0]=2
24  B7R0.13  CC[C@](C)(N)C(=O)O AL597-1 [0,1,0,0,1,0|0,0,0]=2
25  B7R0.13  C[C@@](O)(CBr)C(=O)O RC401-1 [0,1,0,0,1,0|1,0,0]=3
26  B7R0.15  NC[C@@H](CO)C(=O)O AL1240-1 [0,1,0,0,1,0|1,0,0]=3
27  B7R0.15  NC[C@H](CO)C(=O)O AD1241-1 [0,1,0,0,1,0|1,0,0]=3
28  B9R0.23  CC[C@@H](C)[C@H](N)CC(=O)O BL812-1 [0,1,0,0,0,1|0,0,0]=2
29  B9R0.4  CSCC[C@@H](N)CC(=O)O BL842-1 [0,2,0,0,0,0|1,0,0]=3
30  B9R0.53  CC(C)C[C@@H](N)CC(=O)O BD723-1 [0,2,0,0,0,0|1,0,0]=3
31  B9R0.53  CC(C)C[C@H](N)CC(=O)O BL722-1 [0,2,0,0,0,0|1,0,0]=3
32  B9R0.53  NC(CC(=O)O)CC(=O)O BL802-1 [0,2,0,0,0,0|1,0,1]=4
33  B7R1.18  O=C(O)C1CNC1 AL392-1 [1,0,0,1,0,0|1,0,0]=3
34  B9R1.35  N[C@@H]1CC[C@H](C(=O)O)C1 AL402-1 [0,0,0,1,0,1|1,0,0]=3
35  B9R1.35  N[C@H]1CC[C@@H](C(=O)O)C1 AD403-1 [0,0,0,1,0,1|1,0,0]=3
36  B9R1.41  N[C@@H]1CCC[C@H]1C(=O)O RC247-1 [0,1,0,1,0,0|1,0,0]=3
37  B9R1.13  O=C(O)C[C@@H]1CCCN1 BL712-1 [0,1,0,1,0,0|0,0,0]=2
38  B9R1.13  O=C(O)C[C@H]1CCCN1 BD713-1 [0,1,0,1,0,0|0,0,0]=2