0  B41R5.4623618478  C12CC(CCC1(C3CCC4(C(CCC4C3C(C2)O)C(C)CCC(=O)NC5=NN=C(S5)CC(C)C)C)C)O MCULE-4904171437 [0,0,0,0,0,0|0,0,0]=0
1  B41R5.4623618478  [C@H]12C[C@@H]([C@@H]3[C@@H]([C@]1(CC[C@H](C2)O)C)CC[C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)/N=C\5/NN=C(S5)CC(C)C)C)O MCULE-5658279894 [0,0,0,0,0,0|0,0,2]=2
2  B40R5.669435518  C12CC(CCC1(C3CCC4(C(CCC4C3C(C2)O)C(C)CCC(=O)/N=C\5/NN=C(S5)COC)C)C)O MCULE-2115819672 [1,0,0,0,0,0|1,0,2]=4
3  B40R5.669435518  COCC1=NN/C(=N/C(=O)CC[C@@H](C)C2CCC3[C@@]2(CCC4C3[C@H](CC5[C@@]4(CC[C@H](C5)O)C)O)C)/S1 MCULE-2416529994 [1,0,0,0,0,0|1,0,2]=4
4  B40R5.669435518  [C@H]12C[C@@H]([C@@H]3[C@@H]([C@]1(CC[C@H](C2)O)C)CC[C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)NC5=NN=C(S5)COC)C)O MCULE-2253250128 [1,0,0,0,0,0|1,0,0]=2
5  B42R5.4348927938  [C@@H]12C[C@@H](CC[C@@]1([C@H]3C[C@@H]([C@]4([C@H]([C@@H]3[C@@H](C2)O)CC[C@@H]4[C@H](C)CCC(=O)NC5=NN=C(S5)CC(C)C)C)O)C)O MCULE-8116176648 [0,1,0,0,0,0|0,0,0]=1
6  B40R5.4561286864  C12CC(CCC1(C3CCC4(C(CCC4C3C(C2)O)C(C)CCC(=O)NC5=NN=C(S5)C(C)C)C)C)O MCULE-8628147407 [0,0,0,0,1,0|0,0,0]=1
7  B40R5.4561286864  CC(C)C1=NN/C(=N/C(=O)CC[C@@H](C)C2CCC3[C@@]2(CCC4C3[C@H](CC5[C@@]4(CC[C@H](C5)O)C)O)C)/S1 MCULE-2072456157 [0,0,0,0,1,0|0,0,2]=3
8  B40R5.4561286864  [C@H]12C[C@@H]([C@@H]3[C@@H]([C@]1(CC[C@H](C2)O)C)CC[C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)NC5=NN=C(S5)C(C)C)C)O MCULE-4370015252 [0,0,0,0,1,0|0,0,0]=1
9  B41R5.2354962348  [C@@H]12C[C@@H](CC[C@@]1([C@H]3C[C@@H]([C@]4([C@H]([C@@H]3[C@@H](C2)O)CC[C@@H]4[C@H](C)CCC(=O)NC5=NN=C(S5)COC)C)O)C)O MCULE-4863884173 [1,1,0,0,0,0|1,0,0]=3
10  B41R6.1226662170  C12CC(CCC1(C3CCC4(C(CCC4C3C(C2)O)C(C)CCC(=O)NC5=NN=C(S5)C6CC6)C)C)O MCULE-8705835061 [1,0,0,1,0,0|0,0,0]=2
11  B41R6.1226662170  [C@H]12C[C@@H]([C@@H]3[C@@H]([C@]1(CC[C@H](C2)O)C)CC[C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)NC5=NN=C(S5)C6CC6)C)O MCULE-3661246708 [1,0,0,1,0,0|0,0,0]=2