0  B27R3.368466829  CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)N)SC1)C(=O)O CHEBI:3479 [0,0,0,0,0,0|0,0,0]=0
1  B27R3.368466829  CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)N)SC1)C(=O)O CHEBI:53667 [0,0,0,0,0,0|0,0,0]=0
2  B27R3.368466829  CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)N)SC1)C(=O)[O-] CHEBI:53669 [0,0,0,0,0,0|0,0,1]=1
3  B26R3.23654886  CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CCC=CC3)N)SC1)C(=O)O CHEBI:3547 [1,0,0,0,0,0|0,0,2]=3
4  B26R3.23654886  CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)SC1)C(=O)O CHEBI:3534 [1,0,0,0,0,0|0,0,0]=1
5  B26R3.23654886  CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)SC1)C(=O)O CHEBI:3535 [1,0,0,0,0,0|0,0,0]=1
6  B26R3.23654886  CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)SC1)C(=O)[O-] CHEBI:59390 [1,0,0,0,0,0|0,0,1]=2
7  B26R3.23654886  CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)SC1)C(=O)[O-] CHEBI:59392 [1,0,0,0,0,0|0,0,1]=2
8  B26R3.23654886  c1ccc(cc1)[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)Cl)C(=O)O)N CHEBI:3478 [1,0,0,0,0,0|1,0,0]=2
9  B26R3.23654886  c1ccc(cc1)[C@H](C(=O)N[C@H]2[C@H]3CCC(=C(N3C2=O)C(=O)O)Cl)N CHEBI:47544 [1,0,0,0,0,0|2,0,0]=3
10  B26R3.23654886  c1ccc(cc1)[C@H](C(=O)N[C@H]2[C@H]3CCC(=C(N3C2=O)C(=O)[O-])Cl)N CHEBI:281056 [1,0,0,0,0,0|2,0,1]=4
11  B27R3.368466399  CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)N)C(=O)O)C CHEBI:2676 [0,1,0,0,1,0|0,0,2]=4
12  B27R3.368466399  CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)N)C(=O)O)C CHEBI:51254 [0,1,0,0,1,0|0,0,2]=4
13  B29R3.60360606  C\C=C\C1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)N)SC1)C(=O)O CHEBI:3506 [0,2,0,0,0,0|0,0,0]=2