0  B5R0.3  CCC(C)C=O T5090 [0,0,0,0,0,0|2,0,1]=3
1  B5R0.3  O=CC(O)CO T4918 [0,0,0,0,0,0|2,0,2]=4
2  B4R0.1  CCC(=O)O T4908 [1,0,0,0,0,0|1,0,0]=2
3  B4R0.1  CNC(=N)N T4904 [1,0,0,0,0,0|3,0,0]=4
4  B4R0.1  NCC(=O)O T2O2728 [1,0,0,0,0,0|2,0,0]=3
5  B4R0.1  O=CC(=O)O T4843 [1,0,0,0,0,0|2,0,0]=3
6  B4R0.2  CCCCO T7023 [1,0,0,0,0,0|1,0,2]=4
7  B6R0.3  CCC(=O)C(=O)O T5060 [0,1,0,0,0,0|1,0,0]=2
8  B6R0.3  CCC(O)C(=O)[O-] T4738 [0,1,0,0,0,0|1,0,2]=4
9  B6R0.3  C\C=C(\C)C(=O)O T3328 [0,1,0,0,0,0|2,0,1]=4
10  B6R1.2  O=C1CCCC1 T4800 [0,0,0,1,0,0|0,0,2]=3
11  B3R0.2  CC(N)=O BBP01223 [2,0,0,0,0,0|1,0,0]=3
12  B3R0.2  NC(N)=O T0738 [2,0,0,0,0,0|2,0,0]=4
13  B3R0.2  O=C([O-])[O-] T3249 [2,0,0,0,0,0|2,0,0]=4
14  B5R0.1  CC(C)=CCO T4747 [1,1,0,0,0,0|1,0,1]=4
15  B5R0.1  CCCC(=O)O T3943 [1,1,0,0,0,0|1,0,0]=3
16  B5R0.1  NCCC(=O)O T0627 [1,1,0,0,0,0|1,0,0]=3
17  B5R0.5  CC(=O)C(=O)O T4804 [1,1,0,0,0,0|1,0,0]=3
18  B5R0.5  CC(=O)C(C)=O T4774 [1,1,0,0,0,0|0,0,1]=3
19  B5R0.5  CC(C)C(=O)O T4769 [1,1,0,0,0,0|1,0,0]=3
20  B5R0.5  C[C@@H](N)C(=O)O T4811 [1,1,0,0,0,0|1,0,0]=3
21  B5R0.5  C[C@H](N)C(=O)O TJO2729 [1,1,0,0,0,0|1,0,0]=3
22  B5R0.5  C[C@H](O)C(=O)O T4845 [1,1,0,0,0,0|1,0,0]=3
23  B5R0.5  O=C(O)C(=O)O T2O2680 [1,1,0,0,0,0|2,0,0]=4
24  B5R0.5  O=C(O)C(=O)O T5064 [1,1,0,0,0,0|2,0,0]=4
25  B7R0.2  COC(=O)CC(C)=O T4851 [0,2,0,0,0,0|1,0,1]=4
26  B7R1.1  COC1=COC=C1 BBP00343 [0,1,0,1,0,0|1,0,1]=4
27  B7R1.2  O=C1CCC(O)N1 BBP01947 [0,1,0,1,0,0|1,0,1]=4
28  B7R1.3  O=C1C=CCCN1 BBP02874 [0,1,0,1,0,0|0,0,0]=2
29  B7R1.4  N[C@@H]1CONC1=O T1589 [0,1,0,1,0,0|2,0,0]=4
30  B7R1.4  N[C@H]1CONC1=O T0710 [0,1,0,1,0,0|2,0,0]=4