0  B9R0.39  NCC(CC(=O)O)C(=O)O 6923408 [0,0,0,0,0,0|3,0,0]=3
1  B8R0.23  CC(=O)CC(N)C(=O)O 4060175 [1,0,0,0,0,0|2,0,0]=3
2  B8R0.23  NC(=O)C[C@H](N)C(=O)O 22430423 [1,0,0,0,0,0|3,0,0]=4
3  B8R0.23  NC(=O)C[C@H](N)C(=O)O 4800348 [1,0,0,0,0,0|3,0,0]=4
4  B8R0.23  NC(CC(=O)O)C(=O)O 2826934 [1,0,0,0,0,0|3,0,0]=4
5  B8R0.23  O=C(O)CC(O)C(=O)O 2826980 [1,0,0,0,0,0|2,1,0]=4
6  B8R0.23  O=C(O)CC(S)C(=O)O 2829071 [1,0,0,0,0,0|2,0,0]=3
7  B10R0.119  CC(CN)(CC(=O)O)C(=O)O 6923409 [0,1,0,0,0,0|3,0,0]=4
8  B7R0.15  CCC(CC)C(=O)O 2825993 [2,0,0,0,0,0|1,0,1]=4
9  B7R0.2  CC(=O)NC(C)CO 1272770 [2,0,0,0,0,0|0,0,1]=3
10  B7R0.6  CC(=O)CCC(=O)O 2825979 [2,0,0,0,0,0|1,0,0]=3
11  B7R0.6  CC(=O)CCC(C)=O 2825897 [2,0,0,0,0,0|2,0,0]=4
12  B7R0.6  CC(=O)CNC(C)=O 3354373 [2,0,0,0,0,0|1,0,0]=3
13  B7R0.6  CC(=O)NCC(=O)O 1045424 [2,0,0,0,0,0|0,0,0]=2
14  B7R0.6  O=C(O)CCC(=O)O 2826054 [2,0,0,0,0,0|2,0,0]=4
15  B9R0.42  CCC(=O)CC(N)C(=O)O 5810825 [1,1,0,0,0,0|2,0,0]=4
16  B9R0.42  CCC(=O)N[C@@H](C)C(=O)O 2653449 [1,1,0,0,0,0|0,0,0]=2
17  B9R0.42  COC(=O)CC(N)C(=O)O 4787246 [1,1,0,0,0,0|2,0,0]=4
18  B9R0.79  CC(C(=O)O)C(O)C(=O)O 3355078 [1,1,0,0,0,0|2,0,0]=4
19  B9R1.161  O=C(O)[C@H]1C[C@@H]1C(=O)O 6923387 [1,0,0,1,0,0|2,0,0]=4
20  B11R1.178  CC(=O)N1CCCC1C(=O)O 1045869 [0,1,0,1,0,0|1,0,0]=3
21  B7R0.16  CC(=O)C(Cl)C(C)=O 2827033 [1,0,0,0,1,0|2,0,0]=4