0  B33R4.738257910  CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC=CC4=C3CC[C@@H]4NCCO)C#N MCULE-1709242398 [0,0,0,0,0,0|0,0,0]=0
1  B33R4.738257910  CC(C)OC1=CC=C(C=C1C#N)C2=NC(=NO2)C3=CC=CC4=C3CCC4NCCO MCULE-8483944947 [0,0,0,0,0,0|0,0,0]=0
2  B33R4.738257910  CC(C)OC1=CC=C(C=C1C#N)C2=NC(=NO2)C3=CC=CC4=C3CC[C@@H]4NCCO MCULE-7115492783 [0,0,0,0,0,0|0,0,0]=0
3  B33R4.738257910  CC(C)OC1=CC=C(C=C1C#N)C2=NC(=NO2)C3=CC=CC4=C3CC[C@@H]4NCCO MCULE-9753243292 [0,0,0,0,0,0|0,0,0]=0
4  B34R4.222462709  CC(C)OC1=CC=C(C=C1C#N)C2=NC(=NO2)C3=CC=CC4=C3CC[C@@H]4NCC(=O)O MCULE-8487395585 [0,1,0,0,0,0|0,0,1]=2
5  B33R4.738257925  CCOC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CCC(C4=CC=C3)NCCO)OCC MCULE-4036566580 [1,1,0,0,0,0|1,0,1]=4
6  B33R4.738257925  CCOC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CCC(C4=CC=C3)NCCO)OCC MCULE-8466825836 [1,1,0,0,0,0|1,0,1]=4
7  B35R4.153275306  CC(C)OC1=CC=C(C=C1C#N)C2=NC(=NO2)C3=CC=CC4=C3CCC4NCCC(=O)O MCULE-2971135536 [0,2,0,0,0,0|0,0,0]=2
8  B35R4.153275306  CC(C)OC1=CC=C(C=C1C#N)C2=NC(=NO2)C3=CC=CC4=C3CCC4NCCC(=O)O MCULE-8557430276 [0,2,0,0,0,0|0,0,0]=2