0  B5R0.1  CCCC(=O)O T3943 [1,0,0,0,0,0|1,0,1]=3
1  B5R0.1  NCCC(=O)O T0627 [1,0,0,0,0,0|2,0,1]=4
2  B5R0.2  NCCCCN T4865 [1,0,0,0,0,0|2,0,0]=3
3  B5R0.3  CCC(C)C=O T5090 [1,0,0,0,0,0|2,0,1]=4
4  B5R0.3  O=CC(O)CO T4918 [1,0,0,0,0,0|2,0,1]=4
5  B5R0.3  OCC(O)CO BBP03456 [1,0,0,0,0,0|2,0,0]=3
6  B5R0.3  OCC(O)CO T4776 [1,0,0,0,0,0|2,0,0]=3
7  B7R0.5  CCC[C@H](N)C(=O)O T4788 [0,1,0,0,0,0|2,0,1]=4
8  B7R0.10  OC[C@H](O)[C@H](O)CO BBP01568 [0,1,0,0,0,0|2,0,0]=3
9  B7R0.10  OC[C@H](O)[C@H](O)CO T0583 [0,1,0,0,0,0|2,0,0]=3
10  B7R1.2  O=C1CCC(O)N1 BBP01947 [0,0,0,1,0,0|2,0,1]=4
11  B4R0.1  CCC(=O)O T4908 [2,0,0,0,0,0|1,0,1]=4
12  B4R0.2  CCCCO T7023 [2,0,0,0,0,0|0,0,0]=2
13  B4R0.2  NCCCN T4782 [2,0,0,0,0,0|2,0,0]=4
14  B6R0.2  CC(O)CC(=O)O T4947 [1,1,0,0,0,0|1,0,1]=4
15  B6R0.4  CCCCC(=O)O T4792 [1,1,0,0,0,0|1,0,1]=4
16  B6R0.4  NCCCC(=O)O T0508 [1,1,0,0,0,0|1,0,1]=4
17  B6R0.6  NCCCCCN T4895 [1,1,0,0,0,0|1,0,0]=3
18  B6R0.6  OCCNCCO T4796 [1,1,0,0,0,0|2,0,0]=4
19  B6R0.6  OCCSCCO T0329 [1,1,0,0,0,0|2,0,0]=4
20  B8R0.3  O=CC[C@H](O)[C@H](O)CO T4818 [0,2,0,0,0,0|1,0,1]=4
21  B8R0.13  C[C@](O)(CO)[C@H](O)CO BBP00161 [0,2,0,0,0,0|2,0,0]=4
22  B6R1.2  O=C1CCCC1 T4800 [1,0,0,1,0,0|0,0,2]=4
23  B8R1.1  O=C1CC[C@H](CO)C1 BBP00686 [0,1,0,1,0,0|0,0,2]=4
24  B8R1.3  OC1COC(O)CO1 T4748 [0,1,0,1,0,0|2,0,0]=4