0  B21R2.4372945  CC1CC(CC(C1)(C)C)OC(=O)C(=O)C2=CC=CC=C2 MCULE-4524808586 [0,0,0,0,0,0|0,0,2]=2
1  B21R2.4372945  CC1CC(CC(C1)(C)C)OC(=O)C(O)C2=CC=CC=C2 MCULE-9363564061 [0,0,0,0,0,0|0,0,0]=0
2  B20R2.493233  CC1CC(CC(C1)(C)C)OC(=O)NC2=CC=CC=C2 MCULE-7228468124 [1,0,0,0,0,0|1,0,0]=2
3  B22R2.4531127  CC1CC(CC(N1C)(C)C)OC(=O)C(O)C2=CC=CC=C2 MCULE-3349024069 [0,1,0,0,0,0|1,0,0]=2
4  B22R2.4531127  CC1CC(CC(N1C)(C)C)OC(=O)C(O)C2=CC=CC=C2 MCULE-3969074478 [0,1,0,0,0,0|1,0,0]=2
5  B22R3.48201698  CC1CC(CC2(C1)NC(=O)N(N2)C3=CC=CC=C3)(C)C MCULE-5433561196 [0,0,0,1,0,0|3,0,0]=4
6  B21R2.795730  CC1CC(CC(C1)(C)C)NC(=O)CC2=CC=C(C=C2)Br MCULE-6642043100 [1,1,0,0,0,0|1,0,0]=3
7  B21R2.795730  CC1CC(CC(C1)(C)C)NC(=O)NC2=CC=C(C=C2)Br MCULE-6206622618 [1,1,0,0,0,0|2,0,0]=4
8  B21R2.20001218  CC1(CC(CC(N1)(C)C)NC(=O)CC2=CC=CC=C2)C MCULE-4578911693 [1,1,0,0,0,0|2,0,0]=4
9  B21R2.20001218  CC1(CC(CC(N1)(C)C)NC(=O)CC2=CC=CC=C2)C MCULE-4986084277 [1,1,0,0,0,0|2,0,0]=4
10  B19R2.867513  CC1CC(CC(C1)(C)C)NC(=O)C2=CC=CN=C2 MCULE-3363794143 [1,0,0,0,1,0|2,0,0]=4
11  B19R2.867513  CC1CC(CC(N1)(C)C)OC(=O)C2=CC=CC=C2 MCULE-5610174073 [1,0,0,0,1,0|1,0,0]=3
12  B19R2.867513  CC1CC(CC([NH2+]1)(C)C)OC(=O)C2=CC=CC=C2 MCULE-5136459831 [1,0,0,0,1,0|1,0,0]=3
13  B19R2.867513  C[C@@H]1C[C@H](CC(C1)(C)C)OC(=O)C2=CC=CN=C2 MCULE-1446440590 [1,0,0,0,1,0|1,0,0]=3