0  B7R0.16  CC(C)C(=O)C(=O)O 759-05-7 [0,0,0,0,0,0|0,0,0]=0
1  B7R0.16  CC(C)C(N)C(=O)O 72-18-4 [0,0,0,0,0,0|1,0,1]=2
2  B7R0.16  CC(C)C(O)C(=O)O 4026-18-0 [0,0,0,0,0,0|0,0,2]=2
3  B7R0.16  CC(O)C(N)C(=O)O 72-19-5 [0,0,0,0,0,0|2,0,1]=3
4  B7R0.16  C[C@H](O)[C@H](N)C(=O)O 28954-12-3 [0,0,0,0,0,0|2,0,1]=3
5  B6R0.2  CC(C)=CC(=O)O 541-47-9 [1,0,0,0,0,0|0,0,1]=2
6  B6R0.2  CC(O)CC(=O)O 300-85-6 [1,0,0,0,0,0|1,0,1]=3
7  B6R0.2  CN(C)CC(=O)O 1118-68-9 [1,0,0,0,0,0|1,0,1]=3
8  B6R0.2  C[C@@H](O)CC(=O)O 625-72-9 [1,0,0,0,0,0|1,0,1]=3
9  B6R0.3  CC(CN)C(=O)O 144-90-1 [1,0,0,0,0,0|2,0,1]=4
10  B6R0.3  CCC(=O)C(=O)O 600-18-0 [1,0,0,0,0,0|0,0,0]=1
11  B6R0.3  CCC(O)C(=O)[O-] 5094-24-6 [1,0,0,0,0,0|0,0,3]=4
12  B6R0.3  CC[C@H](N)C(=O)O 1492-24-6 [1,0,0,0,0,0|1,0,1]=3
13  B6R0.3  NC(CO)C(=O)O 56-45-1 [1,0,0,0,0,0|2,0,1]=4
14  B6R0.3  NC(CS)C(=O)O 52-90-4 [1,0,0,0,0,0|2,0,1]=4
15  B6R0.3  NCC(N)C(=O)O 54897-59-5 [1,0,0,0,0,0|2,0,1]=4
16  B8R0.2  CC[C@@H](C)[C@H](N)C(=O)O 1509-34-8 [0,1,0,0,0,0|1,0,1]=3
17  B8R0.2  CC[C@H](C)[C@H](N)C(=O)O 73-32-5 [0,1,0,0,0,0|1,0,1]=3
18  B8R0.23  CC(C)CC(=O)C(=O)O 816-66-0 [0,0,0,0,0,1|0,0,0]=1
19  B8R0.23  CC(C)CC(N)C(=O)O 328-39-2 [0,0,0,0,0,1|1,0,1]=3
20  B8R0.23  CC(C)C[C@H](O)C(=O)O 13748-90-8 [0,0,0,0,0,1|0,0,2]=3
21  B8R0.23  O=C(O)CC(=O)C(=O)O 328-42-7 [0,0,0,0,0,1|2,0,1]=4
22  B5R0.1  CC(C)=CCO 556-82-1 [2,0,0,0,0,0|0,0,2]=4
23  B5R0.1  CCCC(=O)O 107-92-6 [2,0,0,0,0,0|0,0,1]=3
24  B5R0.1  CNCC(=O)O 107-97-1 [2,0,0,0,0,0|1,0,1]=4
25  B5R0.1  C\C=C\C(=O)O 107-93-7 [2,0,0,0,0,0|0,0,1]=3
26  B5R0.1  NCCC(=O)O 107-95-9 [2,0,0,0,0,0|1,0,1]=4
27  B5R0.3  CCC(C)C=O 96-17-3 [2,0,0,0,0,0|1,0,1]=4
28  B5R0.5  CC(=O)C(=O)O 127-17-3 [2,0,0,0,0,0|0,0,0]=2
29  B5R0.5  CC(=O)C(C)=O 431-03-8 [2,0,0,0,0,0|1,0,0]=3
30  B5R0.5  CC(C)C(=O)O 79-31-2 [2,0,0,0,0,0|0,0,0]=2
31  B5R0.5  CC(N)C(=O)O 56-41-7 [2,0,0,0,0,0|1,0,0]=3
32  B5R0.5  C[C@@H](N)C(=O)O 338-69-2 [2,0,0,0,0,0|1,0,0]=3
33  B5R0.5  C[C@@H](O)C(=O)[O-] 920-49-0 [2,0,0,0,0,0|1,0,1]=4
34  B5R0.5  C[C@H](O)C(=O)O 79-33-4 [2,0,0,0,0,0|1,0,0]=3
35  B5R0.5  O=C(O)C(=O)O 6153-56-6 [2,0,0,0,0,0|1,0,0]=3
36  B7R0.9  CC(C)(O)CC(=O)O 625-08-1 [1,1,0,0,0,0|0,0,1]=3
37  B7R0.5  CCC[C@H](N)C(=O)O 6600-40-4 [1,1,0,0,0,0|1,0,1]=4
38  B7R0.5  NC(CCS)C(=O)O 454-29-5 [1,1,0,0,0,0|1,0,1]=4
39  B7R0.5  N[C@@H](CCO)C(=O)O 672-15-1 [1,1,0,0,0,0|1,0,1]=4
40  B7R1.19  NC1(C(=O)O)CC1 22059-21-8 [1,0,0,1,0,0|1,0,1]=4
41  B9R1.69  CC1CNC(=O)NC1=O 696-04-8 [0,0,0,1,0,1|1,0,0]=3
42  B9R1.138  C[C@H]1C(=O)OCC1(C)C 599-04-2 [0,1,0,1,0,0|1,0,1]=4
43  B7R0.6  CC(C)CCC(=O)O 646-07-1 [1,0,0,0,0,1|0,0,1]=3