0  B7R0.6  C(=C/C(=O)O)/C(=O)N 5513 [0,0,0,0,0,0|2,0,1]=3
1  B7R0.6  C(CC(=O)O)C(=O)O 5823 [0,0,0,0,0,0|2,0,1]=3
2  B7R0.6  CC(=O)CCC(=O)O 6824 [0,0,0,0,0,0|1,0,1]=2
3  B6R0.4  C(CC(=O)O)CN 6222 [1,0,0,0,0,0|1,0,2]=4
4  B6R0.4  C=CCCC(=O)O 5031 [1,0,0,0,0,0|0,0,2]=3
5  B6R0.4  CCCCC(=O)C 9447 [1,0,0,0,0,0|1,0,2]=4
6  B8R0.9  COC(=O)CCC(=O)O 5776 [0,1,0,0,0,0|1,0,1]=3
7  B8R0.23  C([C@@H](C(=O)O)N)C(=O)O 5088 [0,1,0,0,0,0|2,0,1]=4
8  B8R0.23  C=C(CC(=O)O)C(=O)O 5233 [0,1,0,0,0,0|2,0,0]=3
9  B8R0.23  CC(C)CC(C(=O)O)N 5503 [0,1,0,0,0,0|0,0,2]=3
10  B8R0.23  CC(C)C[C@@H](C(=O)O)N 10688 [0,1,0,0,0,0|0,0,2]=3
11  B8R1.3  CC1=CNC(=O)C=C1 9951 [0,0,0,1,0,0|1,0,2]=4
12  B8R1.3  CN1CCC(=O)CC1 6766 [0,0,0,1,0,0|2,0,1]=4
13  B8R1.3  CN1CCC(=O)CC1 M0015 [0,0,0,1,0,0|2,0,1]=4
14  B8R1.23  C1C(CC1=O)C(=O)O 6732 [0,0,0,1,0,0|1,0,1]=3
15  B6R0.2  B(CC(C)C)(O)O 8277 [0,0,0,0,1,0|1,0,2]=4
16  B6R0.2  CC(=CC(=O)O)C 9276 [0,0,0,0,1,0|0,0,0]=1
17  B6R0.2  CN(C)CC(=O)O 5083 [0,0,0,0,1,0|1,0,0]=2
18  B7R0.9  CC(C)(CC(=O)O)N 6592 [0,1,0,0,1,0|0,0,1]=3
19  B7R0.16  CN(C)C(=O)C(=O)O 8405 [0,1,0,0,1,0|1,0,0]=3
20  B7R0.16  C[C@H]([C@@H](C(=O)O)N)O 6845 [0,1,0,0,1,0|1,0,1]=4
21  B9R0.53  C(C(=O)CC(=O)O)C(=O)O 6733 [0,1,0,0,0,1|2,0,0]=4
22  B7R1.2  C1CC(=O)CC1=O 5093 [1,0,0,1,0,0|1,0,1]=4
23  B7R1.14  C1C=CCS1(=O)=O 9178 [1,0,0,1,0,0|1,0,1]=4
24  B7R1.18  C1C(CN1)C(=O)O 10615 [1,0,0,1,0,0|1,0,1]=4
25  B7R1.18  C1CC(C1)C(=O)O 8209 [1,0,0,1,0,0|0,0,2]=4
26  B7R1.20  C1CC1CC(=O)O 6163 [1,0,0,1,0,0|0,0,2]=4
27  B9R1.35  CC1=CC=C(S1)C(=O)O 6693 [0,0,0,1,0,1|1,0,1]=4
28  B9R1.82  COC(=O)C1CC(=O)C1 8653 [0,1,0,1,0,0|1,0,1]=4
29  B5R0.5  C[C@@H](C(=O)O)N 5042 [0,0,0,0,2,0|1,0,1]=4
30  B5R0.5  C[C@@H](C(=O)O)N 5087 [0,0,0,0,2,0|1,0,1]=4
31  B9R0.55  CC(=O)NCCCC(=O)O 9971 [0,0,0,0,0,2|1,0,1]=4