0  B6R0.2  CC(=O)CC(=O)[O-] 3483-11-2 [0,0,0,0,0,0|3,0,0]=3
1  B6R0.2  CC(C)=CC(=O)O 541-47-9 [0,0,0,0,0,0|2,0,1]=3
2  B6R0.2  CC(O)CC(=O)O 300-85-6 [0,0,0,0,0,0|3,0,1]=4
3  B6R0.2  CN(C)CC(=O)O 1118-68-9 [0,0,0,0,0,0|3,0,1]=4
4  B6R0.2  C[C@@H](O)CC(=O)O 625-72-9 [0,0,0,0,0,0|3,0,1]=4
5  B6R0.2  O=C(O)CC(=O)O 141-82-2 [0,0,0,0,0,0|4,0,0]=4
6  B5R0.1  CCCC(=O)O 107-92-6 [1,0,0,0,0,0|2,0,1]=4
7  B5R0.1  CNCC(=O)O 107-97-1 [1,0,0,0,0,0|3,0,0]=4
8  B5R0.1  C\C=C\C(=O)O 107-93-7 [1,0,0,0,0,0|2,0,0]=3
9  B7R0.9  CC(=O)OP(=O)([O-])[O-] 94249-01-1 [0,1,0,0,0,0|3,0,0]=4
10  B7R1.2  O=C1C=CC(=O)N1 541-59-3 [0,0,0,1,0,0|2,0,1]=4
11  B5R0.5  CC(=O)C(=O)O 127-17-3 [0,0,0,0,1,0|2,0,0]=3
12  B5R0.5  CC(=O)C(C)=O 431-03-8 [0,0,0,0,1,0|1,0,0]=2
13  B5R0.5  CC(C)C(=O)O 79-31-2 [0,0,0,0,1,0|1,0,2]=4
14  B5R0.5  CC(N)C(=O)O 56-41-7 [0,0,0,0,1,0|2,0,1]=4
15  B5R0.5  C[C@@H](N)C(=O)O 338-69-2 [0,0,0,0,1,0|2,0,1]=4
16  B5R0.5  C[C@@H](O)C(=O)[O-] 920-49-0 [0,0,0,0,1,0|2,0,1]=4
17  B5R0.5  C[C@H](O)C(=O)O 79-33-4 [0,0,0,0,1,0|2,0,1]=4
18  B5R0.5  O=C(O)C(=O)O 6153-56-6 [0,0,0,0,1,0|3,0,0]=4
19  B7R0.6  CC(=O)NCC(=O)O 543-24-8 [0,0,0,0,0,1|3,0,0]=4
20  B4R0.1  C=CC(=O)O 79-10-7 [2,0,0,0,0,0|1,0,0]=3
21  B4R0.1  CCC(=O)O 79-09-4 [2,0,0,0,0,0|1,0,1]=4
22  B4R0.1  O=CC(=O)O 563-96-2 [2,0,0,0,0,0|2,0,0]=4
23  B6R1.2  O=C1CCCC1 120-92-3 [1,0,0,1,0,0|1,0,1]=4
24  B6R1.2  O=C1CCCN1 616-45-5 [1,0,0,1,0,0|1,0,1]=4
25  B8R1.3  CC1=CN=C(C)C=N1 123-32-0 [0,0,0,1,0,1|2,0,0]=4
26  B8R1.4  O=C1CCNC(=O)N1 504-07-4 [0,1,0,1,0,0|2,0,0]=4
27  B8R1.18  CN1CC(=O)N=C1N 60-27-5 [0,1,0,1,0,0|2,0,0]=4
28  B8R1.18  CN1CC(=O)NC1=O 616-04-6 [0,1,0,1,0,0|2,0,0]=4