0  B39R4.4177968334  CCN1CCN(C(=O)C1=O)C(=O)NC(C(=O)NC2C(=O)N3C2SC(C3C(=O)O)(C)C)C4=CC=CC=C4 MCULE-6569523931 [0,0,0,0,0,0|0,0,0]=0
1  B39R4.4177968334  CCN1CCN(C(=O)C1=O)C(=O)NC(C(=O)NC2C(=O)N3C2SC(C3C(=O)[O-])(C)C)C4=CC=CC=C4 MCULE-9248832215 [0,0,0,0,0,0|0,0,1]=1
2  B39R4.4177968334  CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H]2SC([C@@H]3C(=O)O)(C)C)C4=CC=CC=C4 MCULE-3955405122 [0,0,0,0,0,0|0,0,0]=0
3  B39R4.4177968334  CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H]2SC([C@@H]3C(=O)[O-])(C)C)C4=CC=CC=C4 MCULE-6770793725 [0,0,0,0,0,0|0,0,1]=1
4  B39R4.4177968334  [C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)[O-])(C)C)NC(=O)C(NC(=O)N3CCN(C(=O)C3=O)CC)C4=CC=CC=C4 MCULE-3670864633 [0,0,0,0,0,0|0,0,1]=1
5  B39R4.4177968334  [C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)[O-])(C)C)NC(=O)C(NC(=O)N3CCN(C(=O)C3=O)CC)C4=CC=CC=C4 MCULE-3710227644 [0,0,0,0,0,0|0,0,1]=1
6  B39R4.4177968334  [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N3CCN(C(=O)C3=O)CC)C4=CC=CC=C4)C(=O)O)(C)C MCULE-7535205921 [0,0,0,0,0,0|0,0,0]=0
7  B39R4.4177968334  [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N3CCN(C(=O)C3=O)CC)C4=CC=CC=C4)C(=O)[O-])(C)C MCULE-8677559988 [0,0,0,0,0,0|0,0,1]=1
8  B39R3.2095078616  CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@H](C(=O)O)[C@@H]2N[C@H](C(S2)(C)C)C(=O)O)C3=CC=CC=C3 MCULE-2721132362 [0,1,1,0,0,0|0,0,0]=2
9  B37R4.3693359324  [C@H]1(C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)NC(=O)C(NN3CCN(C(=O)C3=O)CC)C4=CC=CC=C4 MCULE-7934078120 [1,0,0,0,1,0|0,0,0]=2