0  B31R3.64939624  C1(C(=O)N(C2=CC=CC=C2SC1C3=CC=C(C=C3)OC)CCN(C)C)OC(=O)C MCULE-6224711619 [0,0,0,0,0,0|0,0,0]=0
1  B31R3.64939624  COC1=CC=C(C=C1)C2SC3=C(C=CC=C3)N(C(=O)C2OC(=O)C)CC[NH+](C)C MCULE-3669072150 [0,0,0,0,0,0|0,0,1]=1
2  B31R3.64939624  COC1=CC=C(C=C1)[C@@H]2SC3=CC=CC=C3N(C(=O)[C@@H]2OC(=O)C)CCN(C)C MCULE-2542382442 [0,0,0,0,0,0|0,0,0]=0
3  B31R3.64939624  COC1=CC=C(C=C1)[C@@H]2SC3=CC=CC=C3N(C(=O)[C@@H]2OC(=O)C)CCN(C)C MCULE-4619243453 [0,0,0,0,0,0|0,0,0]=0
4  B31R3.64939624  [C@@H]1(C(=O)N(C2=C(C=CC=C2)S[C@H]1C3=CC=C(C=C3)OC)CCN(C)C)OC(=O)C MCULE-9931403933 [0,0,0,0,0,0|0,0,0]=0
5  B31R3.64939624  [C@@H]1(C(=O)N(C2=C(C=CC=C2)S[C@H]1C3=CC=C(C=C3)OC)CC[NH+](C)C)OC(=O)C MCULE-4757300773 [0,0,0,0,0,0|0,0,1]=1
6  B30R3.741128481  CNCCN1C(=O)C(C(SC2=C1C=CC=C2)C3=CC=C(C=C3)OC)OC(=O)C MCULE-7062999414 [1,0,0,0,0,0|0,0,0]=1
7  B30R3.741128481  CNCCN1C(=O)C(C(SC2=C1C=CC=C2)C3=CC=C(C=C3)OC)OC(=O)C MCULE-9246336841 [1,0,0,0,0,0|0,0,0]=1
8  B30R3.741128481  CNCCN1C(=O)[C@@H]([C@@H](SC2=C1C=CC=C2)C3=CC=C(C=C3)OC)OC(=O)C MCULE-2588645110 [1,0,0,0,0,0|0,0,0]=1
9  B30R3.741128481  CNCCN1C(=O)[C@@H]([C@@H](SC2=C1C=CC=C2)C3=CC=C(C=C3)OC)OC(=O)C MCULE-9820812430 [1,0,0,0,0,0|0,0,0]=1
10  B31R3.6127789045  CC(=O)OC1C(=O)N(C2=CC=C(C=C2SC1C3=CC=C(C=C3)C)C)CCN(C)C MCULE-2413567824 [1,1,0,0,0,0|0,0,0]=2
11  B31R3.6127789045  CC(=O)OC1C(=O)N(C2=CC=C(C=C2SC1C3=CC=C(C=C3)C)C)CCN(C)C MCULE-9931392642 [1,1,0,0,0,0|0,0,0]=2