0  B6R1.2  O=C1CCCC1 120-92-3 [1,0,0,0,0,0|1,0,0]=2
1  B6R1.2  O=C1CCCN1 616-45-5 [1,0,0,0,0,0|1,0,0]=2
2  B6R0.2  CC(C)=CC(=O)O 541-47-9 [0,0,1,0,0,0|2,0,1]=4
3  B6R0.2  CC(O)CC(=O)O 300-85-6 [0,0,1,0,0,0|3,0,0]=4
4  B6R0.2  CN(C)CC(=O)O 1118-68-9 [0,0,1,0,0,0|3,0,0]=4
5  B6R0.2  C[C@@H](O)CC(=O)O 625-72-9 [0,0,1,0,0,0|3,0,0]=4
6  B6R0.4  CCCCC(=O)O 109-52-4 [0,0,1,0,0,0|0,0,0]=1
7  B6R0.4  CSCCC(=O)O 646-01-5 [0,0,1,0,0,0|1,0,0]=2
8  B6R0.4  NCCCC(=O)O 56-12-2 [0,0,1,0,0,0|1,0,0]=2
9  B6R0.4  O=CNCC(=O)O 2491-15-8 [0,0,1,0,0,0|2,0,1]=4
10  B8R1.4  O=C1CCNC(=O)N1 504-07-4 [0,0,0,0,0,1|2,0,1]=4
11  B5R0.1  CCCC(=O)O 107-92-6 [1,0,1,0,0,0|0,0,0]=2
12  B5R0.1  CNCC(=O)O 107-97-1 [1,0,1,0,0,0|1,0,0]=3
13  B5R0.1  C\C=C\C(=O)O 107-93-7 [1,0,1,0,0,0|0,0,2]=4
14  B5R0.1  NCCC(=O)O 107-95-9 [1,0,1,0,0,0|1,0,0]=3
15  B5R0.1  NCCS(=O)O 300-84-5 [1,0,1,0,0,0|2,0,0]=4
16  B5R0.3  CCC(C)C=O 96-17-3 [1,0,1,0,0,0|0,0,0]=2
17  B5R0.3  O=CC(O)CO 56-82-6 [1,0,1,0,0,0|2,0,0]=4
18  B7R0.9  CC(C)(O)CC(=O)O 625-08-1 [0,1,1,0,0,0|2,0,0]=4
19  B7R0.16  CC(C)C(=O)C(=O)O 759-05-7 [0,1,1,0,0,0|2,0,0]=4
20  B7R0.16  CC(C)C(N)C(=O)O 72-18-4 [0,1,1,0,0,0|2,0,0]=4
21  B7R0.16  CC(C)C(O)C(=O)O 4026-18-0 [0,1,1,0,0,0|2,0,0]=4
22  B7R0.4  CCCCCC(=O)O 142-62-1 [0,1,1,0,0,0|0,0,0]=2
23  B7R0.4  NCCCCC(=O)O 660-88-8 [0,1,1,0,0,0|0,0,0]=2
24  B7R0.6  CC(=O)NCC(=O)O 543-24-8 [0,1,1,0,0,0|1,0,1]=4
25  B7R0.6  CC(C)CCC(=O)O 646-07-1 [0,1,1,0,0,0|0,0,0]=2
26  B7R0.6  O=C(O)CCC(=O)O 110-15-6 [0,1,1,0,0,0|1,0,1]=4
27  B7R0.8  NCCCS(=O)(=O)O 3687-18-1 [0,1,1,0,0,0|2,0,0]=4
28  B9R1.69  CC1CNC(=O)NC1=O 696-04-8 [0,1,0,0,0,1|2,0,0]=4
29  B9R1.66  CC1(O)CCOC(=O)C1 674-26-0 [0,1,0,0,0,1|1,0,0]=3
30  B9R1.22  OC[C@@H]1O[C@H](O)C[C@H]1O 533-67-5 [0,2,0,0,0,0|0,0,2]=4
31  B9R1.35  O=C1CCC(C(=O)O)N1 4042-36-8 [0,2,0,0,0,0|1,0,1]=4
32  B9R1.35  O=C1CC[C@@H](C(=O)O)N1 98-79-3 [0,2,0,0,0,0|1,0,1]=4
33  B9R1.138  C[C@H]1C(=O)OCC1(C)C 599-04-2 [0,2,0,0,0,0|2,0,0]=4
34  B7R1.3  O=C1CCCCO1 542-28-9 [0,0,1,1,0,0|0,0,0]=2
35  B5R0.5  CC(=O)C(C)=O 431-03-8 [0,0,1,0,1,0|1,0,1]=4
36  B5R0.5  CC(C)C(=O)O 79-31-2 [0,0,1,0,1,0|1,0,0]=3
37  B5R0.5  CC(N)C(=O)O 56-41-7 [0,0,1,0,1,0|2,0,0]=4
38  B5R0.5  C[C@@H](N)C(=O)O 338-69-2 [0,0,1,0,1,0|2,0,0]=4
39  B5R0.5  C[C@@H](O)C(=O)[O-] 920-49-0 [0,0,1,0,1,0|2,0,0]=4
40  B5R0.5  C[C@H](O)C(=O)O 79-33-4 [0,0,1,0,1,0|2,0,0]=4