0  B8R0.5  C#CC[C@@H](N)CC(=O)O HD1025-1 [0,1,0,0,0,0|1,0,2]=4
1  B8R0.5  C#CC[C@H](N)CC(=O)O HL1020-1 [0,1,0,0,0,0|1,0,2]=4
2  B8R0.5  C=CC[C@@H](N)CC(=O)O HD935-1 [0,1,0,0,0,0|1,0,2]=4
3  B8R0.5  C=CC[C@H](N)CC(=O)O HL930-1 [0,1,0,0,0,0|1,0,2]=4
4  B7R0.2  NC[C@@H](N)CC(=O)O RC107-1 [1,1,0,0,0,0|2,0,0]=4
5  B7R0.2  NC[C@H](N)CC(=O)O RC108-1 [1,1,0,0,0,0|2,0,0]=4
6  B7R0.2  N[C@@H](CO)CC(=O)O BL792-1 [1,1,0,0,0,0|2,0,0]=4
7  B7R0.2  N[C@H](CO)CC(=O)O BD793-1 [1,1,0,0,0,0|2,0,0]=4
8  B7R0.5  CCC[C@H](Br)C(=O)O RC404-1 [1,1,0,0,0,0|1,0,0]=3
9  B7R0.5  N[C@@H](CCBr)C(=O)O RC109-1 [1,1,0,0,0,0|2,0,0]=4
10  B7R0.5  N[C@H](CCBr)C(=O)O RC110-1 [1,1,0,0,0,0|2,0,0]=4
11  B9R0.4  CSCC[C@@H](N)CC(=O)O BL842-1 [0,2,0,0,0,0|1,0,0]=3
12  B9R0.23  CC[C@@H](C)[C@H](N)CC(=O)O BL812-1 [0,2,0,0,0,0|1,0,0]=3
13  B9R0.53  CC(C)C[C@@H](N)CC(=O)O BD723-1 [0,2,0,0,0,0|1,0,0]=3
14  B9R0.53  CC(C)C[C@H](N)CC(=O)O BL722-1 [0,2,0,0,0,0|1,0,0]=3
15  B9R0.2  NCCCCCCC(=O)O AL518-1 [0,2,0,0,0,0|1,0,0]=3
16  B7R1.18  O=C(O)C1CNC1 AL392-1 [1,0,0,1,0,0|2,0,0]=4
17  B7R1.1  ClC[C@@H]1CCNC1 RC777-1 [1,0,0,1,0,0|2,0,0]=4
18  B7R1.1  ClC[C@H]1CCNC1 RC776-1 [1,0,0,1,0,0|2,0,0]=4
19  B7R1.4  N[C@@H]1CCSC1=O RC751-1 [1,0,0,1,0,0|2,0,0]=4
20  B9R1.13  O=C(O)C[C@@H]1CCCN1 BL712-1 [0,1,0,1,0,0|1,0,0]=3
21  B9R1.13  O=C(O)C[C@H]1CCCN1 BD713-1 [0,1,0,1,0,0|1,0,0]=3
22  B9R1.41  N[C@@H]1CCC[C@H]1C(=O)O RC247-1 [0,1,0,1,0,0|1,0,0]=3
23  B9R1.3  CN1CCC[C@H](N)C1=O RC315-1 [0,1,0,1,0,0|2,0,0]=4
24  B9R1.6  O=C(O)[C@@H]1CCCNC1 RC213-1 [0,1,0,1,0,0|1,0,0]=3
25  B9R1.35  N[C@@H]1CC[C@H](C(=O)O)C1 AL402-1 [0,1,0,1,0,0|1,0,0]=3
26  B9R1.35  N[C@H]1CC[C@@H](C(=O)O)C1 AD403-1 [0,1,0,1,0,0|1,0,0]=3
27  B9R1.112  N[C@@H](CC1CC1)C(=O)O AL574-1 [0,1,0,1,0,0|1,0,0]=3
28  B9R1.112  N[C@H](CC1CC1)C(=O)O AD575-1 [0,1,0,1,0,0|1,0,0]=3