0  B31R4.1052372292  [C@@H]1(N2C(=O)C3=C(C2SC1(C)C)C=CC(=C3OC)OC)C(=O)NC4CCCCC4 MCULE-6360739714 [0,0,0,0,0,0|0,0,0]=0
1  B30R4.878346896  [C@@H]1(N2C(=O)C3=C(C2SC1(C)C)C=CC(=C3OC)OC)C(=O)NC4CCCC4 MCULE-4781358465 [0,0,0,0,1,0|0,0,0]=1
2  B32R4.952563244  COC1=C(C2=C(C=C1)C3SC(C(N3C2=O)C(=O)NCC4CCOCC4)(C)C)OC MCULE-6433813771 [0,0,0,0,0,1|1,0,0]=2
3  B29R3.20273913087  [C@@H]1(N2C(=O)C3=C(C2SC1(C)C)C=CC(=C3OC)OC)C(=O)NCCCOC MCULE-2226677533 [1,0,1,0,0,0|1,0,0]=3
4  B29R4.101898149  [C@H]1(CSC2N1C(=O)C3=C2C=CC(=C3OC)OC)C(=O)NC4CCCCC4 MCULE-7320583815 [2,0,0,0,0,0|0,0,0]=2
5  B31R3.1801827790  [C@@H]1(N2C(=O)C3=C(C2SC1(C)C)C=CC(=C3OC)OC)C(=O)NCCCOC(C)C MCULE-9793771441 [0,1,1,0,0,0|1,0,0]=3
6  B31R4.1052373799  [C@@H]1(N2C(=O)C3=C(C2SC1(C)C)C=CC(=C3OC)OC)C(=O)NCC4CCCO4 MCULE-6243926747 [0,0,1,1,0,0|1,0,0]=3
7  B33R4.945127031  COC1=C(C2=C(C=C1)C3SC(C(N3C2=O)C(=O)NCCN4CCOCC4)(C)C)OC MCULE-6814761572 [0,0,0,0,0,2|2,0,0]=4
8  B33R4.945127031  [C@@H]1(N2C(=O)C3=C(C2SC1(C)C)C=CC(=C3OC)OC)C(=O)NCCC4=CCCCC4 MCULE-5825983473 [0,0,0,0,0,2|0,0,2]=4