0  B9R0.7  C=C(C)C(=O)NCC(=O)O A12316 [0,0,0,0,0,0|1,0,3]=4
1  B9R0.7  CC(C)C(=O)NCC(=O)O F20066 [0,0,0,0,0,0|1,0,2]=3
2  B9R0.7  C[C@H](Cl)C(=O)NCC(=O)O AC6938 [0,0,0,0,0,0|1,0,2]=3
3  B9R0.7  C[C@H](N)C(=O)NCC(=O)O A12756 [0,0,0,0,0,0|1,0,2]=3
4  B9R0.7  C[C@H](S)C(=O)NCC(=O)O C73708 [0,0,0,0,0,0|0,0,2]=2
5  B8R0.9  CCC(C)=CCC(=O)O C75612 [1,0,0,0,0,0|2,0,0]=3
6  B8R0.9  O=C(O)CCC(=O)CBr P19462 [1,0,0,0,0,0|2,0,1]=4
7  B8R0.28  CC(C)=CCCC(=O)O F16793 [1,0,0,0,0,0|2,0,1]=4
8  B8R0.28  CC(C)CNCC(=O)O W10796 [1,0,0,0,0,0|1,0,2]=4
9  B10R0.93  C[C@H](NC(=O)[C@@H](C)N)C(=O)O D79194 [0,1,0,0,0,0|1,0,2]=4
10  B10R1.83  CC1(C)C(=O)C[C@@H]1C(=O)O 38974 [0,0,0,1,0,0|2,0,1]=4
11  B10R1.211  O=C(O)CNC(=O)C1CC1 F20136 [0,0,0,1,0,0|1,0,2]=4
12  B8R0.23  CC(C)N(C)CC(=O)O 71944 [0,0,0,0,1,0|3,0,0]=4
13  B8R0.23  CC(C)[C@@H](N)CC(=O)O 29560 [0,0,0,0,1,0|2,0,1]=4
14  B8R0.23  CC(C)[C@@H](N)CC(=O)O 62353 [0,0,0,0,1,0|2,0,1]=4
15  B7R0.4  CCCOCC(=O)O AC1647 [2,0,0,0,0,0|1,0,1]=4
16  B7R0.6  CC(C)=CCC(=O)O 24307 [2,0,0,0,0,0|2,0,0]=4
17  B7R0.6  O=C(O)CCC(=O)O D85169 [2,0,0,0,0,0|1,1,0]=4
18  B9R0.48  CCNC(=S)NCC(=O)O W19340 [1,1,0,0,0,0|0,1,1]=4
19  B9R0.48  CCOC(=O)NCC(=O)O D76651 [1,1,0,0,0,0|0,0,2]=4
20  B9R0.79  CC(C)C(O)C(N)C(=O)O 25811 [0,1,0,0,1,0|1,0,1]=4
21  B9R0.79  CC(C)[C@@H](O)[C@H](N)C(=O)O 62256 [0,1,0,0,1,0|1,0,1]=4
22  B9R1.35  CC(C)C1=NNC(=O)O1 AT18783 [1,0,0,1,0,0|2,0,0]=4
23  B9R1.38  CC1(C)OC(=O)C=C1O W17107 [0,0,0,1,1,0|1,0,1]=4
24  B7R0.2  CC[C@H](C)CC(=O)O 63986 [1,0,0,0,1,0|1,0,1]=4
25  B7R0.2  CC[C@H](N)CC(=O)O 51922 [1,0,0,0,1,0|1,0,1]=4
26  B7R0.2  CC[C@H](N)CC(=O)O 52000 [1,0,0,0,1,0|1,0,1]=4
27  B7R0.2  CC[C@H](O)CC(=O)O C14017 [1,0,0,0,1,0|0,0,1]=3