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SMILES | QM Vs MM | Structure |
|---|---|---|
COc1cccnc1-n1cccn1 |  |   |
CC(=O)Nc1cccs1 |  |   |
CN(C)c1ccccc1-c1ccccn1 |  |   |
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SMILES | QM Vs MM | Structure |
|---|---|---|
COc1cccnc1-n1cccn1 | | |
CC(=O)Nc1cccs1 | | |
CN(C)c1ccccc1-c1ccccn1 | | |