0  B9R1.13  C1CCC(C1)CC(=O)O 0PA [0,0,0,1,0,0|3,0,0]=4
1  B7R0.15  CN[C@@H](C(=O)O)SC MSA [0,0,0,0,1,0|2,1,0]=4
2  B6R0.2  CC(=O)CC(=O)C P2D [2,0,0,0,0,0|0,0,2]=4
3  B6R0.2  CC(=O)CC(=O)O AAE [2,0,0,0,0,0|0,0,2]=4
4  B6R0.2  CC(=O)CC(=O)O LIN [2,0,0,0,0,0|0,0,2]=4
5  B6R0.2  CC(C)CC(=O)O IVA [2,0,0,0,0,0|1,0,0]=3
6  B6R0.2  CC(C)C[C@@H](C)N 2LU [2,0,0,0,0,0|1,0,1]=4
7  B6R0.2  CN(C)CC(=O)O DMG [2,0,0,0,0,0|2,0,0]=4
8  B6R0.2  CS(C)CC(=O)O 313 [2,0,0,0,0,0|2,0,0]=4
9  B6R0.2  C[C@@H](CC(=O)O)N B3A [2,0,0,0,0,0|2,0,0]=4
10  B6R0.2  C[C@@H](CC(=O)O)O 3HL [2,0,0,0,0,0|1,0,0]=3
11  B6R0.2  C[C@H](CC(=O)O)O 3HR [2,0,0,0,0,0|1,0,0]=3
12  B6R0.4  CCCCC(=O)O LEA [2,0,0,0,0,0|2,0,0]=4
13  B6R0.4  CCCCC(=O)O PEI [2,0,0,0,0,0|2,0,0]=4
14  B6R0.4  CCCOC(=O)C 4PA [2,0,0,0,0,0|2,0,0]=4
15  B8R0.2  CC([C@H](C(=O)O)N)OC XDT [1,1,0,0,0,0|1,0,0]=3
16  B8R0.2  CC([C@H](C(=O)O)N)SC 1ME [1,1,0,0,0,0|1,1,0]=4
17  B8R0.2  CC[C@@H](C)[C@@H](C(=O)O)N IIL [1,1,0,0,0,0|2,0,0]=4
18  B8R0.2  CC[C@@H](C)[C@H](C(=O)O)N DIL [1,1,0,0,0,0|2,0,0]=4
19  B8R0.2  CC[C@H](C)[C@@H](C(=O)O)N ILE [1,1,0,0,0,0|2,0,0]=4
20  B8R0.2  CC[C@H](C)[C@@H](C(=O)O)N ILE_LFOH [1,1,0,0,0,0|2,0,0]=4
21  B8R0.2  CC[C@H](C)[C@@H](C(=O)O)O OIL [1,1,0,0,0,0|2,0,0]=4
22  B8R0.2  CC[C@H](C)[C@@H](C(=O)O)[NH-] ILE_LEO2H [1,1,0,0,0,0|2,0,0]=4
23  B8R0.2  CC[C@H](C)[C@@H](C(=O)[O-])[NH-] ILE_LEO2 [1,1,0,0,0,0|2,0,0]=4
24  B8R0.2  CC[C@H](C)[C@@H](C(=O)[O-])[NH3+] ILE_LFZW [1,1,0,0,0,0|2,0,0]=4
25  B8R0.2  CC[C@H](C)[C@H](C(=O)O)N 28J [1,1,0,0,0,0|2,0,0]=4
26  B8R0.2  CC[C@H]([C@@H](C(=O)O)N)O VAH [1,1,0,0,0,0|2,0,0]=4
27  B8R0.2  C[C@H]([C@@H](C(=O)O)N)OC OLT [1,1,0,0,0,0|1,0,0]=3
28  B8R0.5  CCOC(=O)CC(=O)C EAC [1,1,0,0,0,0|0,0,2]=4
29  B8R1.7  C1C[C@H](OC1)C(=O)O TFB [0,0,0,1,1,0|2,0,0]=4
30  B6R0.3  CC(=O)[C@H](CO)O DE2 [1,0,0,0,1,0|2,0,0]=4
31  B6R0.3  CC[C@H](C)C(=O)O SMB [1,0,0,0,1,0|2,0,0]=4
32  B6R0.3  C[C@@H](C(=O)N)NC ZZJ [1,0,0,0,1,0|2,0,0]=4
33  B6R0.3  C[C@@H](C(=O)O)NC MAA [1,0,0,0,1,0|2,0,0]=4
34  B6R0.3  C[C@H](C(=O)O)NC 33X [1,0,0,0,1,0|2,0,0]=4
35  B8R0.9  CC(=O)OC[C@@H](CO)O JIM [1,0,0,0,0,1|2,0,0]=4
36  B8R0.9  COC(CCC(=O)O)O HMB [1,0,0,0,0,1|1,0,0]=3