0  B6R1.2  O=C1CCCC1 T4800 [0,0,0,0,0,0|0,0,0]=0
1  B7R1.2  O=C1CCC(O)N1 BBP01947 [0,1,0,0,0,0|1,0,0]=2
2  B7R1.4  N[C@@H]1CONC1=O T1589 [0,1,0,0,0,0|2,0,0]=3
3  B7R1.4  N[C@H]1CONC1=O T0710 [0,1,0,0,0,0|2,0,0]=3
4  B5R0.1  CC(C)=CCO T4747 [0,0,1,0,0,0|2,0,1]=4
5  B5R0.1  CCCC(=O)O T3943 [0,0,1,0,0,0|1,0,0]=2
6  B5R0.1  NCCC(=O)O T0627 [0,0,1,0,0,0|2,0,0]=3
7  B5R0.2  NCCCCN T4865 [0,0,1,0,0,0|2,0,1]=4
8  B7R1.3  O=C1C=CCCN1 BBP02874 [0,0,0,0,0,1|0,0,2]=3
9  B4R0.1  CCC(=O)O T4908 [1,0,1,0,0,0|1,0,0]=3
10  B4R0.1  NCC(=O)O T2O2728 [1,0,1,0,0,0|2,0,0]=4
11  B4R0.2  CCCCO T7023 [1,0,1,0,0,0|0,0,1]=3
12  B4R0.2  NCCCN T4782 [1,0,1,0,0,0|2,0,0]=4
13  B6R0.2  CC(C)CC(N)=O T0361 [0,1,1,0,0,0|1,0,0]=3
14  B6R0.2  CC(O)CC(=O)O T4947 [0,1,1,0,0,0|1,0,0]=3
15  B6R0.3  CC(CN)C(=O)O T4887 [0,1,1,0,0,0|2,0,0]=4
16  B6R0.3  CCC(=O)C(=O)O T5060 [0,1,1,0,0,0|1,0,1]=4
17  B6R0.3  CCC(O)C(=O)[O-] T4738 [0,1,1,0,0,0|1,0,0]=3
18  B6R0.3  NCC(N)C(=O)O T4755 [0,1,1,0,0,0|2,0,0]=4
19  B6R0.3  N[C@@H](CO)C(=O)O T2O2730 [0,1,1,0,0,0|2,0,0]=4
20  B6R0.3  N[C@@H](CS)C(=O)O T2O2721 [0,1,1,0,0,0|2,0,0]=4
21  B6R0.4  CCCCC(=O)O T4792 [0,1,1,0,0,0|1,0,0]=3
22  B6R0.4  NCCCC(=O)O T0508 [0,1,1,0,0,0|1,0,0]=3
23  B6R0.6  NCCCCCN T4895 [0,1,1,0,0,0|1,0,1]=4
24  B8R1.4  O=C1CCNC(=O)N1 T4886 [0,1,0,0,0,1|1,0,1]=4
25  B8R1.1  COC1CCC(=O)N1 BBP00214 [0,2,0,0,0,0|1,0,0]=3
26  B8R1.1  O=C1CC[C@H](CO)C1 BBP00686 [0,2,0,0,0,0|0,0,0]=2
27  B8R1.7  O=C(O)[C@@H]1CCCN1 BBP00795 [0,2,0,0,0,0|1,0,1]=4
28  B8R1.7  O=C(O)[C@@H]1CCCN1 T2O2683 [0,2,0,0,0,0|1,0,1]=4