0  B26R3.23654886  CC1=C(N2C(SC1)C(NC(=O)C(N)c3ccccc3)C2=O)C(O)=O Amb17917637 [0,0,0,0,0,0|1,0,0]=1
1  B26R3.23654886  CC=1CSC2[C@@H](NC(=O)[C@@H](N)c3ccccc3)C(=O)N2C1C(O)=O Amb19131171 [0,0,0,0,0,0|1,0,0]=1
2  B26R3.23654886  CC=1CSC2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2C1C(O)=O Amb22350067 [0,0,0,0,0,0|1,0,0]=1
3  B26R3.23654886  CC=1CS[C@@H]2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(O)=O Amb22264871 [0,0,0,0,0,0|1,0,0]=1
4  B26R3.23654886  CC=1CS[C@@H]2[C@H](NC(=O)[C@@H](N)c3ccccc3)C(=O)N2C1C(O)=O Amb22353915 [0,0,0,0,0,0|1,0,0]=1
5  B26R3.23654886  CC=1CS[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2C1C(O)=O Amb22735249 [0,0,0,0,0,0|1,0,0]=1
6  B26R3.23654886  N[C@@H](c1ccccc1)C(=O)N[C@@H]2[C@@H]3CCC(Cl)=C(C(O)=O)N3C2=O Amb22801509 [0,0,0,0,0,0|1,0,0]=1
7  B26R3.23654886  N[C@@H](c1ccccc1)C(=O)N[C@@H]2[C@@H]3SCC(Cl)=C(C(O)=O)N3C2=O Amb19131142 [0,0,0,0,0,0|0,0,0]=0
8  B26R3.23654886  N[C@@H](c1ccccc1)C(=O)N[C@@H]2[C@@H]3SCC(Cl)=C(C(O)=O)N3C2=O Amb24273752 [0,0,0,0,0,0|0,0,0]=0
9  B26R3.23654886  N[C@H](c1ccccc1)C(=O)N[C@H]2C(=O)N3[C@H]2SCC(=C3C(=O)O)Cl Amb10072136 [0,0,0,0,0,0|0,0,0]=0
10  B26R3.23654886  O=C(C(C1=CCC=CC1)N)NC2C(=O)N3[C@@H]2SCC(=C3C(=O)O)C Amb16232115 [0,0,0,0,0,0|1,0,2]=3
11  B26R3.23654886  [NH3+]C(c1ccccc1)C(=O)NC2C(=O)N3C2SCC(=C3C(=O)O)Cl Amb10845647 [0,0,0,0,0,0|0,0,1]=1
12  B25R3.18492161  O=C(Cc1ccccc1)NC2C(=O)N3C2SCC(=C3C(=O)O)C Amb1865594 [1,0,0,0,0,0|1,0,0]=2
13  B27R3.75019564  COC=1CSC2C(NC(=O)C(N)C3C=CCC=C3)C(=O)N2C1C(O)=O Amb22731957 [0,1,0,0,0,0|1,0,2]=4
14  B27R3.368466829  O=C([C@@H](c1ccc(cc1)O)N)N[C@@H]2C(=O)N3[C@@H]2SCC(=C3C(=O)O)C Amb15691512 [0,1,0,0,0,0|1,0,0]=2
15  B27R3.383569922  CC1=C(N2C(SC1)[C@@H](NC(=O)[C@@H](N)c3ccccc3)C2=O)C(=O)O[Na] Amb17772976 [0,1,0,0,0,0|1,0,0]=2
16  B26R3.67364232  C=CC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)Cc3ccccc3 Amb1869287 [1,1,0,0,0,0|1,0,0]=3
17  B26R3.53554023  O=C1NC(C(=O)NC1C2SCC(=C(N2)C(=O)O)C)c3ccccc3 Amb17610715 [0,0,1,1,0,0|1,0,0]=3
18  B26R3.23654896  O=C(NC1C(=O)N2C1SCC(=C2C(=O)O)Cl)COc3ccccc3 Amb1865593 [1,0,0,0,0,1|0,0,0]=2