smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@H+]1CCCCC[C@@H]1CC(=O)c1ccccc1 ZINC000217463298 388374161 /nfs/dbraw/zinc/37/41/61/388374161.db2.gz ABKOAMNWNSUKMM-OAHLLOKOSA-N 1 1 245.366 3.524 40 70 BHIBMO CC[N@H+]1CCCCC[C@H]1CC(=O)c1ccccc1 ZINC000217463372 188008186 /nfs/dbraw/zinc/00/81/86/188008186.db2.gz ABKOAMNWNSUKMM-HNNXBMFYSA-N 1 1 245.366 3.524 40 70 BHIBMO