0  B9R0.39  CC(=O)N[C@@H](CS)C(=O)[O-] 0074AP [0,0,0,0,0,0|0,0,1]=1
1  B9R0.39  CN[C@H](CC(=O)O)C(=O)O 2589AH [0,0,0,0,0,0|4,0,0]=4
2  B8R0.23  CC(CC(=O)Cl)C(=O)Cl E091 [1,0,0,0,0,0|3,0,0]=4
3  B10R0.53  CCC(C)N[C@H](CS)C(=O)O Q358 [0,1,0,0,0,0|1,0,1]=3
4  B10R0.119  CCC(C)(CC(=O)O)C(=O)O 9593AB [0,1,0,0,0,0|3,0,0]=4
5  B10R0.162  CC(O)C(NC(N)=O)C(=O)O 2488AD [0,1,0,0,0,0|1,1,0]=3
6  B10R1.64  CC(=O)NC1CCSC1=O R109 [0,0,0,1,0,0|1,1,0]=3
7  B10R1.113  O=C1CCN[C@H](C(=O)O)C1 9958AB [0,0,0,1,0,0|3,0,0]=4
8  B10R1.361  O=C(O)[C@H]1CC[C@H]1C(=O)O 7241AA [0,0,0,1,0,0|3,0,0]=4
9  B8R0.18  CC(C)[C@@H](CN)C(=O)O 0446AB [0,0,0,0,1,0|2,0,1]=4
10  B7R0.15  CC[C@H](CO)C(=O)O 1257AC [2,0,0,0,0,0|0,1,1]=4
11  B7R0.6  O=C(O)CCC(=O)O 9603AL [2,0,0,0,0,0|2,0,0]=4
12  B7R0.6  O=C([O-])CCC(=O)O 7180AF [2,0,0,0,0,0|2,0,0]=4
13  B7R0.6  O=C([O-])CCC(=O)O V1664 [2,0,0,0,0,0|2,0,0]=4
14  B9R0.11  C[C@@](N)(CC(=O)O)C(=O)O 0587AP [1,1,0,0,0,0|2,0,0]=4
15  B9R0.11  C[C@](N)(CC(=O)O)C(=O)O 0584AP [1,1,0,0,0,0|2,0,0]=4
16  B9R0.11  C[C@](O)(CC(=O)O)C(=O)O 9397AB [1,1,0,0,0,0|2,0,0]=4
17  B9R0.79  CC(C(=O)O)[C@@H](N)C(=O)O 5973AB [1,1,0,0,0,0|2,0,0]=4
18  B9R0.79  O=C(O)C(S)C(S)C(=O)O 9660AJ [1,1,0,0,0,0|2,0,0]=4
19  B11R0.108  C[C@H](O)[C@@H](NC(=O)CN)C(=O)O 7995AL [0,2,0,0,0,0|0,1,0]=3
20  B9R1.6  O=C(O)C1CCCCN1 3297AL [1,0,0,1,0,0|1,0,1]=4
21  B9R1.6  O=C(O)C1CCCCN1 6644AH [1,0,0,1,0,0|1,0,1]=4
22  B9R1.6  O=C(O)C1CNCCN1 V5196 [1,0,0,1,0,0|1,0,1]=4
23  B9R1.6  O=C(O)[C@H]1COCCN1 Z8033 [1,0,0,1,0,0|0,1,1]=4
24  B9R1.35  O=C(O)[C@@H]1CSC(=S)N1 4596AF [1,0,0,1,0,0|0,1,0]=3
25  B9R1.41  C[C@H]1CCN[C@@H]1C(=O)O 7397AJ [1,0,0,1,0,0|1,0,1]=4
26  B9R1.161  O=C(O)[C@H]1C[C@H]1C(=O)O 0769AC [1,0,0,1,0,0|2,0,0]=4
27  B11R1.178  CC(=O)N1CCCC1C(=O)O 4658AH [0,1,0,1,0,0|1,0,0]=3
28  B7R0.16  O=C(O)C(Cl)C(=O)O 8949AB [1,0,0,0,1,0|2,0,0]=4
29  B9R0.7  CC(CCC(=O)O)C(=O)O 0280AP [1,0,0,0,0,1|2,0,0]=4