0  B6R1.2  O=C1CCCO1 DB04699 [1,0,0,0,0,0|0,0,1]=2
1  B8R1.1  [C@@H]1(C=O)CCC(O)=N1 DB03901 [0,1,0,0,0,0|1,0,2]=4
2  B8R1.18  [C@H]1(N)CC(O)=NC1=O DB03487 [0,1,0,0,0,0|1,0,1]=3
3  B6R0.1  CCOC(=O)NC DB02856 [0,0,1,0,0,0|2,0,1]=4
4  B6R0.2  CC(=O)CC(=O)O DB01762 [0,0,1,0,0,0|2,0,0]=3
5  B6R0.2  NC(=O)CC(=O)O DB02649 [0,0,1,0,0,0|3,0,0]=4
6  B6R0.2  O=C(O)CC(=O)O DB02175 [0,0,1,0,0,0|3,0,0]=4
7  B6R0.2  O=C([O-])CC(=O)[O-] DB02201 [0,0,1,0,0,0|3,0,0]=4
8  B6R0.4  CCCCC(=O)O DB02406 [0,0,1,0,0,0|1,0,1]=3
9  B8R1.4  C[C@H]1CC=CC(=O)O1 DB14121 [0,0,0,0,0,1|1,0,2]=4
10  B8R1.4  O=C1C=CNC(=O)N1 DB03419 [0,0,0,0,0,1|1,0,2]=4
11  B8R1.4  O=C1CCNC(=O)N1 DB01849 [0,0,0,0,0,1|1,0,0]=2
12  B5R0.1  CC(=O)CCO DB04094 [1,0,1,0,0,0|1,0,1]=4
13  B5R0.1  CCCC(=O)O DB03568 [1,0,1,0,0,0|0,0,1]=3
14  B5R0.1  CCCC(N)=O DB02121 [1,0,1,0,0,0|1,0,1]=4
15  B5R0.1  C\C=C\C(=O)O DB02074 [1,0,1,0,0,0|1,0,1]=4
16  B5R0.1  NCCC(=O)O DB03107 [1,0,1,0,0,0|1,0,0]=3
17  B5R0.1  NOCC(=O)O DB02079 [1,0,1,0,0,0|2,0,0]=4
18  B5R0.1  O=C(O)CCO DB03688 [1,0,1,0,0,0|0,0,1]=3
19  B5R0.2  CCCCC=O DB01919 [1,0,1,0,0,0|1,0,1]=4
20  B7R0.9  CC(=O)OP(=O)(O)O DB02897 [0,1,1,0,0,0|2,0,0]=4
21  B7R0.16  CC(=O)[C@H](N)C(=O)O DB03915 [0,1,1,0,0,0|2,0,0]=4
22  B7R0.4  O=C(O)CCCCO DB04781 [0,1,1,0,0,0|0,0,2]=4
23  B7R0.4  [NH3+]CCCCC(=O)O DB02068 [0,1,1,0,0,0|1,0,1]=4
24  B7R0.6  CC(=O)CCC(=O)O DB02239 [0,1,1,0,0,0|0,0,0]=2
25  B7R0.6  CC(=O)CCC(=O)[O-] DB13800 [0,1,1,0,0,0|0,0,1]=3
26  B7R0.6  CC(=O)NCC(=O)O DB02713 [0,1,1,0,0,0|1,0,0]=3
27  B7R0.6  CC(C)CCC(=O)O DB03993 [0,1,1,0,0,0|1,0,1]=4
28  B7R0.6  N=C(N)NCC(=O)O DB02751 [0,1,1,0,0,0|2,0,0]=4
29  B7R0.6  O=C(O)\C=C/C(=O)O DB04299 [0,1,1,0,0,0|0,0,2]=4
30  B7R0.6  O=C(O)\C=C\C(=O)O DB01677 [0,1,1,0,0,0|0,0,2]=4
31  B7R1.4  N[C@@H]1CCOC1=O DB02624 [1,1,0,0,0,0|0,0,1]=3
32  B9R1.27  CCN1C(=O)CCC1=O DB01902 [0,2,0,0,0,0|1,0,0]=3
33  B5R0.5  CC(=O)C(N)=O DB03578 [0,0,1,0,1,0|1,0,0]=3
34  B5R0.5  CC(=O)[C@@H](C)O DB04364 [0,0,1,0,1,0|0,0,2]=4
35  B5R0.5  CC(=O)[C@H](C)O DB02788 [0,0,1,0,1,0|0,0,2]=4
36  B5R0.5  CC(=[NH2+])C(=O)[O-] DB04212 [0,0,1,0,1,0|2,0,0]=4
37  B5R0.5  NC(=O)C(=O)O DB03940 [0,0,1,0,1,0|2,0,0]=4
38  B5R0.5  O=C(O)C(=O)O DB03902 [0,0,1,0,1,0|2,0,0]=4