0  B4R0.1  C=CC(=O)O 79-10-7 [0,0,0,0,0,0|2,0,0]=2
1  B4R0.1  CCC(=O)O 79-09-4 [0,0,0,0,0,0|2,0,1]=3
2  B4R0.1  CNC(=N)N 21770-81-0 [0,0,0,0,0,0|4,0,0]=4
3  B4R0.1  NCC(=O)O 56-40-6 [0,0,0,0,0,0|2,0,1]=3
4  B4R0.1  O=CC(=O)O 563-96-2 [0,0,0,0,0,0|1,0,0]=1
5  B3R0.2  CN(C)C 593-81-7 [1,0,0,0,0,0|2,0,1]=4
6  B3R0.2  N=C(N)N 50-01-1 [1,0,0,0,0,0|3,0,0]=4
7  B3R0.2  NC(N)=O 57-13-6 [1,0,0,0,0,0|2,0,0]=3
8  B3R0.2  NC(N)=S 62-56-6 [1,0,0,0,0,0|2,1,0]=4
9  B3R0.2  O=C([O-])[O-] 471-34-1 [1,0,0,0,0,0|1,0,1]=3
10  B5R0.1  CC(C)=CCO 556-82-1 [0,1,0,0,0,0|1,0,1]=3
11  B5R0.1  CCCC(=O)O 107-92-6 [0,1,0,0,0,0|2,0,1]=4
12  B5R0.1  CNCC(=O)O 107-97-1 [0,1,0,0,0,0|2,0,1]=4
13  B5R0.1  C\C=C\C(=O)O 107-93-7 [0,1,0,0,0,0|2,0,0]=3
14  B5R0.1  NCCC(=O)O 107-95-9 [0,1,0,0,0,0|2,0,1]=4
15  B5R0.3  CCC(C)C=O 96-17-3 [0,1,0,0,0,0|1,0,1]=3
16  B5R0.3  O=CC(O)CO 56-82-6 [0,1,0,0,0,0|0,0,2]=3
17  B5R0.5  CC(=O)C(=O)O 127-17-3 [0,1,0,0,0,0|0,0,0]=1
18  B5R0.5  CC(=O)C(C)=O 431-03-8 [0,1,0,0,0,0|0,0,0]=1
19  B5R0.5  CC(C)C(=O)O 79-31-2 [0,1,0,0,0,0|1,0,1]=3
20  B5R0.5  CC(N)C(=O)O 56-41-7 [0,1,0,0,0,0|1,0,1]=3
21  B5R0.5  C[C@@H](N)C(=O)O 338-69-2 [0,1,0,0,0,0|1,0,1]=3
22  B5R0.5  C[C@@H](O)C(=O)[O-] 920-49-0 [0,1,0,0,0,0|0,0,2]=3
23  B5R0.5  C[C@H](O)C(=O)O 79-33-4 [0,1,0,0,0,0|0,0,2]=3
24  B5R0.5  O=C(O)C(=O)O 6153-56-6 [0,1,0,0,0,0|1,0,0]=2
25  B2R0.1  CNC 506-59-2 [2,0,0,0,0,0|1,0,1]=4
26  B2R0.1  NC=O 75-12-7 [2,0,0,0,0,0|1,0,0]=3
27  B2R0.1  O=C[O-] 540-69-2 [2,0,0,0,0,0|0,0,1]=3
28  B6R0.2  CC(=O)CC(=O)[O-] 3483-11-2 [0,2,0,0,0,0|0,0,0]=2
29  B6R0.2  CC(C)=CC(=O)O 541-47-9 [0,2,0,0,0,0|1,0,0]=3
30  B6R0.2  CC(O)CC(=O)O 300-85-6 [0,2,0,0,0,0|0,0,2]=4
31  B6R0.2  CN(C)CC(=O)O 1118-68-9 [0,2,0,0,0,0|2,0,0]=4
32  B6R0.2  C[C@@H](O)CC(=O)O 625-72-9 [0,2,0,0,0,0|0,0,2]=4
33  B6R0.2  O=C(O)CC(=O)O 141-82-2 [0,2,0,0,0,0|1,0,0]=3
34  B6R0.3  CC(CN)C(=O)O 144-90-1 [0,2,0,0,0,0|1,0,1]=4
35  B6R0.3  CCC(=O)C(=O)O 600-18-0 [0,2,0,0,0,0|0,0,0]=2
36  B6R0.3  CCC(O)C(=O)[O-] 5094-24-6 [0,2,0,0,0,0|0,0,2]=4
37  B6R0.3  CC[C@H](N)C(=O)O 1492-24-6 [0,2,0,0,0,0|1,0,1]=4
38  B6R0.3  NC(CO)C(=O)O 56-45-1 [0,2,0,0,0,0|1,0,1]=4
39  B6R0.3  NC(CS)C(=O)O 52-90-4 [0,2,0,0,0,0|1,0,1]=4
40  B6R0.3  NCC(N)C(=O)O 54897-59-5 [0,2,0,0,0,0|1,0,1]=4
41  B6R0.4  O=CNCC(=O)O 2491-15-8 [0,2,0,0,0,0|1,0,0]=3
42  B6R0.7  CC(C)(N)C(=O)O 62-57-7 [0,2,0,0,0,0|1,0,1]=4
43  B6R0.7  CC(C)(O)C(=O)O 594-61-6 [0,2,0,0,0,0|0,0,2]=4
44  B6R1.2  O=C1CCCC1 120-92-3 [0,1,0,1,0,0|1,0,1]=4
45  B6R1.2  O=C1CCCN1 616-45-5 [0,1,0,1,0,0|1,0,1]=4