0  B9R1.35  N[C@@H]1CC[C@H](C(=O)O)C1 AL402-1 [0,0,0,0,0,0|2,0,1]=3
1  B9R1.35  N[C@H]1CC[C@@H](C(=O)O)C1 AD403-1 [0,0,0,0,0,0|2,0,1]=3
2  B7R0.5  C#CC[C@@H](N)C(=O)O AD377-1 [1,0,1,0,0,0|0,0,2]=4
3  B7R0.5  C#CC[C@H](N)C(=O)O AL376-1 [1,0,1,0,0,0|0,0,2]=4
4  B7R0.5  C=CC[C@@H](N)C(=O)O AD360-1 [1,0,1,0,0,0|0,0,1]=3
5  B7R0.5  C=CC[C@H](N)C(=O)O AL359-1 [1,0,1,0,0,0|0,0,1]=3
6  B7R0.5  CCC[C@H](Br)C(=O)O RC404-1 [1,0,1,0,0,0|1,0,1]=4
7  B7R0.5  N[C@@H](CCBr)C(=O)O RC109-1 [1,0,1,0,0,0|1,0,0]=3
8  B7R0.5  N[C@H](CCBr)C(=O)O RC110-1 [1,0,1,0,0,0|1,0,0]=3
9  B9R0.7  NC(=O)[C@H](N)CCC(=O)O RC113-1 [0,1,1,0,0,0|1,0,0]=3
10  B9R0.7  O=C(O)CC[C@H](Br)C(=O)O RC405-1 [0,1,1,0,0,0|1,0,0]=3
11  B9R0.7  O=C(O)CC[C@H](Cl)C(=O)O RC403-1 [0,1,1,0,0,0|1,0,0]=3
12  B9R0.7  O=C([O-])CC[C@@H](O)C(=O)[O-] RC402-1 [0,1,1,0,0,0|1,0,1]=4
13  B9R0.47  C=CCSC[C@H](N)C(=O)O RC125-1 [0,1,1,0,0,0|1,0,0]=3
14  B9R0.53  NC(CC(=O)O)CC(=O)O BL802-1 [0,1,1,0,0,0|1,0,0]=3
15  B9R1.41  N[C@@H]1CCC[C@H]1C(=O)O RC247-1 [1,1,0,0,0,0|1,0,1]=4
16  B11R1.44  C=C[C@@H]1CC[C@@H](C(=O)OC)N1 RC269-1 [0,2,0,0,0,0|1,0,1]=4
17  B9R1.112  N[C@@H](CC1CC1)C(=O)O AL574-1 [0,0,1,1,0,0|1,0,1]=4
18  B9R1.112  N[C@H](CC1CC1)C(=O)O AD575-1 [0,0,1,1,0,0|1,0,1]=4
19  B7R1.18  O=C(O)C1CNC1 AL392-1 [1,0,0,0,1,0|1,0,1]=4
20  B9R0.4  CSCC[C@@H](N)CC(=O)O BL842-1 [0,0,1,0,0,1|2,0,0]=4
21  B9R1.13  O=C(O)C[C@@H]1CCCN1 BL712-1 [1,0,0,0,0,1|0,0,1]=3
22  B9R1.13  O=C(O)C[C@H]1CCCN1 BD713-1 [1,0,0,0,0,1|0,0,1]=3