0  B5R0.1  CC(C)=CCO T4747 [0,0,0,0,0,0|0,0,0]=0
1  B5R0.1  CCCC(=O)O T3943 [0,0,0,0,0,0|3,0,1]=4
2  B5R0.1  NCCC(=O)O T0627 [0,0,0,0,0,0|3,0,1]=4
3  B4R0.1  CCC(=O)O T4908 [1,0,0,0,0,0|2,0,1]=4
4  B4R0.1  CNC(=N)N T4904 [1,0,0,0,0,0|3,0,0]=4
5  B4R0.1  NCC(=O)O T2O2728 [1,0,0,0,0,0|3,0,0]=4
6  B4R0.1  O=CC(=O)O T4843 [1,0,0,0,0,0|2,0,1]=4
7  B4R0.2  CCCCO T7023 [1,0,0,0,0,0|0,0,2]=3
8  B6R0.2  CC(C)=CC(=O)O BBP04714 [0,1,0,0,0,0|0,0,1]=2
9  B6R0.2  CC(O)CC(=O)O T4947 [0,1,0,0,0,0|2,0,1]=4
10  B6R0.3  CCC(=O)C(=O)O T5060 [0,1,0,0,0,0|3,0,0]=4
11  B6R0.3  N[C@@H](CO)C(=O)O T2O2730 [0,1,0,0,0,0|2,0,1]=4
12  B6R1.2  O=C1CCCC1 T4800 [0,0,0,1,0,0|2,0,1]=4
13  B3R0.1  NCCO T4910 [2,0,0,0,0,0|1,0,1]=4
14  B3R0.2  CC(N)=O BBP01223 [2,0,0,0,0,0|1,0,1]=4
15  B3R0.2  CN(C)C T4827 [2,0,0,0,0,0|1,0,0]=3
16  B5R0.3  CCC(C)C=O T5090 [1,1,0,0,0,0|0,0,2]=4
17  B5R0.3  OCC(O)CO BBP03456 [1,1,0,0,0,0|1,0,1]=4
18  B5R0.3  OCC(O)CO T4776 [1,1,0,0,0,0|1,0,1]=4
19  B5R0.5  CC(=O)C(=O)O T4804 [1,1,0,0,0,0|1,0,0]=3
20  B5R0.5  CC(=O)C(C)=O T4774 [1,1,0,0,0,0|1,0,0]=3
21  B5R0.5  CC(C)C(=O)O T4769 [1,1,0,0,0,0|0,0,1]=3
22  B5R0.5  C[C@@H](N)C(=O)O T4811 [1,1,0,0,0,0|1,0,1]=4
23  B5R0.5  C[C@@H](O)[C@@H](C)O T4751 [1,1,0,0,0,0|1,0,1]=4
24  B5R0.5  C[C@H](N)C(=O)O TJO2729 [1,1,0,0,0,0|1,0,1]=4
25  B5R0.5  C[C@H](O)C(=O)O T4845 [1,1,0,0,0,0|1,0,1]=4
26  B5R0.5  O=C(O)C(=O)O T2O2680 [1,1,0,0,0,0|2,0,0]=4
27  B5R0.5  O=C(O)C(=O)O T5064 [1,1,0,0,0,0|2,0,0]=4
28  B7R0.6  CC(=O)NCC(=O)O T4822 [0,2,0,0,0,0|2,0,0]=4
29  B7R1.1  COC1=COC=C1 BBP00343 [0,1,0,1,0,0|0,0,2]=4
30  B7R1.2  O=C1CCC(O)N1 BBP01947 [0,1,0,1,0,0|2,0,0]=4