0  B3R0.1  NCCO 141-43-5 [0,0,0,0,0,0|1,1,0]=2
1  B3R0.1  NCCS 60-23-1 [0,0,0,0,0,0|1,0,0]=1
2  B2R0.1  CNC 506-59-2 [1,0,0,0,0,0|1,0,0]=2
3  B2R0.1  NC=O 75-12-7 [1,0,0,0,0,0|1,1,1]=4
4  B2R0.1  O=C[O-] 540-69-2 [1,0,0,0,0,0|1,1,1]=4
5  B4R0.1  CCC(=O)O 79-09-4 [0,1,0,0,0,0|0,1,1]=3
6  B4R0.1  CNC(=N)N 21770-81-0 [0,1,0,0,0,0|2,0,1]=4
7  B4R0.1  NCC(=O)O 56-40-6 [0,1,0,0,0,0|1,1,1]=4
8  B4R0.2  COCCO 109-86-4 [0,1,0,0,0,0|0,1,0]=2
9  B4R0.2  NCCCN 109-76-2 [0,1,0,0,0,0|1,0,0]=2
10  B1R0.1  CN 593-51-1 [2,0,0,0,0,0|1,0,0]=3
11  B3R0.2  CN(C)C 593-81-7 [1,1,0,0,0,0|1,0,0]=3
12  B5R0.1  CC(C)=CCO 556-82-1 [0,2,0,0,0,0|0,1,1]=4
13  B5R0.1  CCCC(=O)O 107-92-6 [0,2,0,0,0,0|0,1,0]=3
14  B5R0.1  CNCC(=O)O 107-97-1 [0,2,0,0,0,0|0,1,1]=4
15  B5R0.1  NCCC(=O)O 107-95-9 [0,2,0,0,0,0|0,1,1]=4
16  B5R0.1  NCCS(=O)O 300-84-5 [0,2,0,0,0,0|1,0,1]=4
17  B5R0.3  CCC(C)C=O 96-17-3 [0,2,0,0,0,0|0,1,0]=3
18  B5R0.3  O=CC(O)CO 56-82-6 [0,2,0,0,0,0|0,1,1]=4
19  B5R0.3  OCC(O)CO 56-81-5 [0,2,0,0,0,0|0,1,0]=3
20  B5R0.5  CC(C)C(=O)O 79-31-2 [0,2,0,0,0,0|0,1,1]=4
21  B5R0.5  CC(N)C(=O)O 56-41-7 [0,2,0,0,0,0|0,1,1]=4
22  B5R0.5  C[C@@H](N)C(=O)O 338-69-2 [0,2,0,0,0,0|0,1,1]=4
23  B5R0.5  C[C@@H](O)C(=O)[O-] 920-49-0 [0,2,0,0,0,0|0,1,1]=4
24  B5R0.5  C[C@@H](O)[C@@H](C)O 24347-58-8 [0,2,0,0,0,0|0,1,0]=3
25  B5R0.5  C[C@H](O)C(=O)O 79-33-4 [0,2,0,0,0,0|0,1,1]=4
26  B5R0.2  NCCCCN 110-60-1 [0,2,0,0,0,0|1,0,0]=3