0  B8R0.2  CC[C@H](C)[C@H](N)C(=O)O T0063 [0,0,0,0,0,0|0,0,0]=0
1  B7R0.5  CCC[C@H](N)C(=O)O T4788 [1,0,0,0,0,0|0,0,0]=1
2  B7R0.5  NC(CCS)C(=O)O T4863 [1,0,0,0,0,0|1,0,0]=2
3  B7R0.5  N[C@@H](CCO)C(=O)O T4757 [1,0,0,0,0,0|1,0,0]=2
4  B7R0.16  CC(C)[C@H](N)C(=O)O T2O2776 [1,0,0,0,0,0|0,0,0]=1
5  B7R0.16  C[C@@H](O)[C@H](N)C(=O)O T2O2777 [1,0,0,0,0,0|1,0,0]=2
6  B9R0.79  C[C@H](O)[C@H](C)[C@H](N)C(=O)O T2P2919 [0,1,0,0,0,0|0,0,0]=1
7  B9R1.3  O=C1NCCC(O)C1Cl BBP02836 [0,0,0,1,0,0|3,0,0]=4
8  B6R0.2  CC(C)=CC(=O)O BBP04714 [2,0,0,0,0,0|0,0,2]=4
9  B6R0.2  CC(C)CC(N)=O T0361 [2,0,0,0,0,0|1,0,0]=3
10  B6R0.2  CC(O)CC(=O)O T4947 [2,0,0,0,0,0|1,0,0]=3
11  B6R0.4  CCCCC(=O)O T4792 [2,0,0,0,0,0|0,0,0]=2
12  B6R0.4  NCCCC(=O)O T0508 [2,0,0,0,0,0|1,0,0]=3
13  B6R0.3  CC(CN)C(=O)O T4887 [2,0,0,0,0,0|2,0,0]=4
14  B6R0.3  CCC(=O)C(=O)O T5060 [2,0,0,0,0,0|1,0,1]=4
15  B6R0.3  CCC(O)C(=O)[O-] T4738 [2,0,0,0,0,0|1,0,1]=4
16  B6R0.3  NCC(N)C(=O)O T4755 [2,0,0,0,0,0|1,0,0]=3
17  B6R0.3  N[C@@H](CO)C(=O)O T2O2730 [2,0,0,0,0,0|1,0,0]=3
18  B6R0.3  N[C@@H](CS)C(=O)O T2O2721 [2,0,0,0,0,0|1,0,0]=3
19  B8R0.5  CCOC(=O)CC(=O)O T4773 [1,1,0,0,0,0|1,0,1]=4
20  B8R0.8  CCCC[C@H](N)C(=O)O T4765 [1,1,0,0,0,0|0,0,0]=2
21  B8R0.8  CSCCC(N)C(=O)O TJO2742 [1,1,0,0,0,0|0,0,0]=2
22  B8R0.8  CSCC[C@H](N)C(=O)O T4844 [1,1,0,0,0,0|0,0,0]=2
23  B8R0.8  C[Se]CCC(N)C(=O)O T1658 [1,1,0,0,0,0|0,0,0]=2
24  B8R0.8  NCCC[C@@H](N)C(=O)O T0551 [1,1,0,0,0,0|0,0,0]=2
25  B8R0.8  NCCC[C@H](N)C(=O)O T0737 [1,1,0,0,0,0|0,0,0]=2
26  B8R0.8  NCCC[C@H](N)C(=O)O T2O2701 [1,1,0,0,0,0|0,0,0]=2
27  B8R0.27  CC(C)(S)[C@@H](N)C(=O)O T0983 [1,1,0,0,0,0|0,0,0]=2
28  B8R1.1  O=C1CC[C@H](CO)C1 BBP00686 [1,0,0,1,0,0|2,0,0]=4
29  B8R1.7  O=C(O)[C@@H]1CCCN1 BBP00795 [1,0,0,1,0,0|0,0,0]=2
30  B8R1.7  O=C(O)[C@@H]1CCCN1 T2O2683 [1,0,0,1,0,0|0,0,0]=2
31  B10R1.128  C[N+]1(C)CCC[C@H]1C(=O)O BBP03936 [0,1,0,1,0,0|2,0,0]=4
32  B10R1.128  C[N+]1(C)CCC[C@H]1C(=O)O T3251 [0,1,0,1,0,0|2,0,0]=4
33  B10R0.82  NCC(O)CCC(N)C(=O)O T4937 [0,0,0,0,0,2|2,0,0]=4