0  B7R0.6  CC(=O)CCC(=O)O M20243 [0,0,0,0,0,0|4,0,0]=4
1  B7R0.6  CC(=O)NCC(=O)O M19625 [0,0,0,0,0,0|3,0,1]=4
2  B7R0.6  N=C(N)NCC(=O)O M18468 [0,0,0,0,0,0|3,0,1]=4
3  B7R0.6  NC(=O)\C=C/C(=O)O M19628 [0,0,0,0,0,0|3,0,0]=3
4  B7R0.6  O=C(O)CCC(=O)O M10390 [0,0,0,0,0,0|4,0,0]=4
5  B7R0.6  O=C(O)\C=C/C(=O)O M19545 [0,0,0,0,0,0|4,0,0]=4
6  B7R0.6  O=C(O)\C=C\C(=O)O M17809 [0,0,0,0,0,0|4,0,0]=4
7  B7R0.6  O=C(O)\C=C\C(=O)O M18226 [0,0,0,0,0,0|4,0,0]=4
8  B7R0.6  O=C([O-])CCC(=O)[O-] M21558 [0,0,0,0,0,0|4,0,0]=4
9  B7R0.6  O=C([O-])\C=C\C(=O)[O-] M11711 [0,0,0,0,0,0|4,0,0]=4
10  B6R0.4  O=CNCC(=O)O M19686 [1,0,0,0,0,0|2,0,1]=4
11  B8R0.9  NCC(=O)CCC(=O)O M14958 [0,1,0,0,0,0|3,0,0]=4
12  B8R0.9  NCC(=O)NCC(=O)O M20028 [0,1,0,0,0,0|2,0,1]=4
13  B8R0.23  NC(=O)CC(N)C(=O)O M19019 [0,1,0,0,0,0|3,0,0]=4
14  B8R0.23  NC(=O)C[C@@H](N)C(=O)O M29293 [0,1,0,0,0,0|3,0,0]=4
15  B8R0.23  NC(=O)C[C@H](N)C(=O)O M21607 [0,1,0,0,0,0|3,0,0]=4
16  B6R0.2  CC(=O)CC(=O)[O-] M19764 [0,0,0,0,1,0|3,0,0]=4
17  B6R0.2  CC(=O)CC(=O)[O-] M24625 [0,0,0,0,1,0|3,0,0]=4
18  B6R0.2  O=C(O)CC(=O)O M20038 [0,0,0,0,1,0|3,0,0]=4
19  B8R0.28  NC(=O)NCCC(=O)O M19721 [0,0,0,0,0,1|2,0,1]=4
20  B9R0.24  CNC(=O)CNC(=O)CN M24924 [0,2,0,0,0,0|1,0,1]=4
21  B7R1.2  O=C1C=CC(=O)N1 M19624 [1,0,0,1,0,0|2,0,0]=4
22  B7R1.3  NC1=NC=CN=N1 M22968 [1,0,0,1,0,0|2,0,0]=4
23  B9R1.69  NC1=C(F)C=NC(=O)N1 M13149 [0,1,0,1,0,0|2,0,0]=4
24  B5R0.5  C=C(C)C(N)=O M29491 [0,0,0,0,2,0|2,0,0]=4
25  B5R0.5  CC(=O)C(=O)O M19559 [0,0,0,0,2,0|2,0,0]=4
26  B5R0.5  CC(=O)C(=O)[O-] M14821 [0,0,0,0,2,0|2,0,0]=4
27  B5R0.5  CC(=O)C(=O)[O-] M20910 [0,0,0,0,2,0|2,0,0]=4
28  B5R0.5  CC(=O)C(C)=O M19605 [0,0,0,0,2,0|2,0,0]=4
29  B5R0.5  NC(=O)C(=O)[O-] M22595 [0,0,0,0,2,0|1,0,0]=3
30  B5R0.5  O=C(O)C(=O)O M18023 [0,0,0,0,2,0|2,0,0]=4
31  B5R0.5  O=C(O)C(=O)O M19862 [0,0,0,0,2,0|2,0,0]=4