0  B7R0.4  C\C=C\C=C\C(=O)O D05892 [0,0,0,0,0,0|0,0,2]=2
1  B7R0.4  C\C=C\C=C\C(=O)[O-] D02411 [0,0,0,0,0,0|0,0,3]=3
2  B7R0.4  [*]C(=O)OCCOC D02748 [0,0,0,0,0,0|3,0,1]=4
3  B6R0.4  NCCCC(=O)O D00058 [1,0,0,0,0,0|1,0,1]=3
4  B6R0.4  O=C([O-])CCCO D05866 [1,0,0,0,0,0|1,0,2]=4
5  B8R0.6  [*]CCOCC(=O)O[*] D05552 [0,1,0,0,0,0|2,0,1]=4
6  B8R0.7  NCCCCCC(=O)O D00160 [0,1,0,0,0,0|0,0,2]=3
7  B8R0.8  CSCCC(N)C(=O)O D04983 [0,1,0,0,0,0|1,0,2]=4
8  B8R0.8  CSCC[C@H](N)C(=O)O D00019 [0,1,0,0,0,0|1,0,2]=4
9  B8R0.8  CSCC[C@H](N)[11C](=O)O D04984 [0,1,0,0,0,0|1,0,2]=4
10  B8R0.8  C[75Se]CC[C@H](N)C(=O)O D05816 [0,1,0,0,0,0|1,0,2]=4
11  B8R0.8  NCCC[C@H](N)C(=O)O D08302 [0,1,0,0,0,0|1,0,2]=4
12  B8R0.8  NCCC[C@H](N)C(=O)O D08303 [0,1,0,0,0,0|1,0,2]=4
13  B8R1.4  CC1=CC(O)=CC=C1 D04951 [0,0,0,1,0,0|1,0,2]=4
14  B8R1.7  O=C(O)C1=CC=CS1 D08568 [0,0,0,1,0,0|1,0,2]=4
15  B8R1.7  O=C(O)C1CSCN1 D08601 [0,0,0,1,0,0|2,0,1]=4
16  B8R1.7  O=C(O)[C@@H]1CCCN1 D00035 [0,0,0,1,0,0|1,0,1]=3
17  B8R1.22  O=C1CCCCCO1 D05540 [0,0,0,1,0,0|0,0,2]=3
18  B5R0.1  CCCC(=O)[O-] D08998 [2,0,0,0,0,0|0,0,1]=3
19  B5R0.1  CCOC(C)=O D02319 [2,0,0,0,0,0|2,0,0]=4
20  B5R0.1  NCCC(=O)O D07561 [2,0,0,0,0,0|1,0,0]=3
21  B7R0.2  NCC(O)CC(=O)O D00174 [1,1,0,0,0,0|1,0,1]=4
22  B7R0.6  O=C(O)\C=C\C(=O)O D02308 [1,1,0,0,0,0|1,0,1]=4
23  B7R0.6  O=C([O-])\C=C\C(=O)O D09832 [1,1,0,0,0,0|1,0,1]=4
24  B9R0.24  COC(=O)\C=C\C(=O)OC D03846 [0,2,0,0,0,0|1,0,1]=4
25  B9R0.47  NCCCCC(N)C(=O)O D06469 [0,2,0,0,0,0|0,0,2]=4
26  B9R0.47  NCCCC[C@H](N)C(=O)O D02278 [0,2,0,0,0,0|0,0,2]=4
27  B9R0.47  NCCCC[C@H](N)C(=O)O D02279 [0,2,0,0,0,0|0,0,2]=4
28  B9R0.47  NCCCC[C@H](N)C(=O)O D02304 [0,2,0,0,0,0|0,0,2]=4
29  B9R0.2  CCCCCCCC(=O)O D05220 [0,2,0,0,0,0|0,0,2]=4
30  B7R1.2  CC1COC(=O)O1 D05633 [1,0,0,1,0,0|1,0,0]=3