Mercurial > repos > bgruening > enumerate_charges

directory /test-data/ @ 3:36360fa103d6 draft

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file CID_3037.sdf 4945 -rw-r--r--
file CID_3037.tab 541 -rw-r--r--
file ligand.sdf 19989 -rw-r--r--
file ligand.tab 497 -rw-r--r--
file mols.smi 85 -rw-r--r--
file rdkit_descriptors_result1.csv 3848 -rw-r--r--
file rdkit_descriptors_result1.tab 3330 -rw-r--r--
file sucos_cluster.sdf 50162 -rw-r--r--