0  B5R0.1  CCCC(=O)O T3943 [1,0,0,0,0,0|1,0,0]=2
1  B5R0.1  NCCC(=O)O T0627 [1,0,0,0,0,0|2,0,0]=3
2  B7R0.2  COC(=O)CC(C)=O T4851 [0,1,0,0,0,0|1,0,0]=2
3  B7R1.3  O=C1C=CCCN1 BBP02874 [0,0,0,1,0,0|2,0,1]=4
4  B4R0.1  CCC(=O)O T4908 [2,0,0,0,0,0|0,0,0]=2
5  B4R0.1  NCC(=O)O T2O2728 [2,0,0,0,0,0|1,0,0]=3
6  B4R0.1  O=CC(=O)O T4843 [2,0,0,0,0,0|0,1,1]=4
7  B4R0.2  CCCCO T7023 [2,0,0,0,0,0|1,0,1]=4
8  B6R0.2  CC(C)=CC(=O)O BBP04714 [1,1,0,0,0,0|1,0,1]=4
9  B6R0.2  CC(C)CC(N)=O T0361 [1,1,0,0,0,0|2,0,0]=4
10  B6R0.2  CC(O)CC(=O)O T4947 [1,1,0,0,0,0|1,0,0]=3
11  B6R0.3  CC(CN)C(=O)O T4887 [1,1,0,0,0,0|2,0,0]=4
12  B6R0.3  CCC(=O)C(=O)O T5060 [1,1,0,0,0,0|1,0,1]=4
13  B6R0.3  CCC(O)C(=O)[O-] T4738 [1,1,0,0,0,0|1,0,1]=4
14  B6R0.3  C\C=C(\C)C(=O)O T3328 [1,1,0,0,0,0|1,0,1]=4
15  B6R0.3  NCC(N)C(=O)O T4755 [1,1,0,0,0,0|2,0,0]=4
16  B6R0.3  N[C@@H](CO)C(=O)O T2O2730 [1,1,0,0,0,0|2,0,0]=4
17  B6R0.3  N[C@@H](CS)C(=O)O T2O2721 [1,1,0,0,0,0|2,0,0]=4
18  B6R0.4  CCCCC(=O)O T4792 [1,1,0,0,0,0|1,0,0]=3
19  B6R0.4  NCCCC(=O)O T0508 [1,1,0,0,0,0|1,0,0]=3
20  B8R0.5  CCOC(=O)CC(=O)O T4773 [0,2,0,0,0,0|2,0,0]=4
21  B8R0.9  COC(=O)CCC(C)=O BBP00556 [0,2,0,0,0,0|1,0,0]=3
22  B6R1.2  O=C1CCCC1 T4800 [1,0,0,1,0,0|1,0,0]=3
23  B8R1.1  COC1CCC(=O)N1 BBP00214 [0,1,0,1,0,0|1,1,0]=4
24  B8R1.1  O=C1CC[C@H](CO)C1 BBP00686 [0,1,0,1,0,0|2,0,0]=4