0  B14R1.1004  C1C[C@H](N(C1)C(=O)[C@H](CO)N)C(=O)O CHEBI:74820 [0,0,0,0,0,0|1,1,0]=2
1  B14R1.1004  C1C[C@H](N(C1)C(=O)[C@H](CS)N)C(=O)O CHEBI:73461 [0,0,0,0,0,0|1,0,0]=1
2  B14R1.1004  C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O CHEBI:3380 [0,0,0,0,0,0|0,0,0]=0
3  B13R1.350  C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N CHEBI:73393 [1,0,0,0,0,0|1,0,0]=2
4  B15R1.8872  CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N CHEBI:73701 [0,1,0,0,0,0|2,0,0]=3
5  B15R1.8872  C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)O)N)O CHEBI:73662 [0,1,0,0,0,0|1,1,0]=3
6  B12R0.42  CC(C(=O)CCCCCC(=O)O)N CHEBI:15830 [1,0,1,0,0,0|2,0,0]=4
7  B12R0.84  C([C@@H](C(=O)N[C@@H](CS)C(=O)O)N)S CHEBI:131608 [1,0,1,0,0,0|2,0,0]=4
8  B12R0.84  C([C@@H](C(=O)O)NC(=O)[C@H](CS)N)O CHEBI:73462 [1,0,1,0,0,0|2,0,0]=4
9  B12R1.368  C1C[C@H](N(C1)C(=O)CN)C(=O)O CHEBI:70744 [2,0,0,0,0,0|1,0,0]=3
10  B12R1.368  C1C[C@H](N(C1)C(=O)C[NH3+])C(=O)[O-] CHEBI:73779 [2,0,0,0,0,0|1,0,1]=4
11  B12R1.368  CCC(=O)N1CCCC1C(=O)O CHEBI:86343 [2,0,0,0,0,0|0,0,0]=2
12  B14R0.636  CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CO)N CHEBI:74815 [0,1,1,0,0,0|1,1,0]=4
13  B14R0.2324  CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CO)N CHEBI:90326 [0,1,1,0,0,0|1,1,0]=4
14  B14R0.2466  CSCC[C@@H](C(=O)O)NC(=O)[C@H](CO)N CHEBI:74817 [0,1,1,0,0,0|1,1,0]=4
15  B14R1.615  CCOC(=O)N1CC(CC1C(=O)O)O CHEBI:67257 [1,1,0,0,0,0|2,0,0]=4
16  B14R1.615  COCC(=O)N1CC(CC1C(=O)O)O CHEBI:67259 [1,1,0,0,0,0|2,0,0]=4
17  B16R1.5434  CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N CHEBI:74076 [0,1,0,0,0,1|1,0,0]=3
18  B16R1.7519  CSCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N CHEBI:73612 [0,2,0,0,0,0|1,0,0]=3
19  B16R1.12346  C1C[C@H](N(C1)C(=O)[C@H](CC(=O)N)N)C(=O)O CHEBI:73425 [0,2,0,0,0,0|1,1,0]=4
20  B16R1.12346  CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N CHEBI:73580 [0,2,0,0,0,0|2,0,0]=4
21  B16R2.508  C1C[C@H](NC1)C(=O)N2CCC[C@H]2C(=O)O CHEBI:73646 [0,1,0,1,0,0|1,0,0]=3