smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCCCC[N@H+](c1ccccc1C)C(C)C ZINC000217226660 350044771 /nfs/dbraw/zinc/04/47/71/350044771.db2.gz FTKYHBDORWXBEB-UHFFFAOYSA-N 1 2 249.398 4.027 20 70 BIIDLO COCCCCC[N@@H+](c1ccccc1C)C(C)C ZINC000217226660 350044768 /nfs/dbraw/zinc/04/47/68/350044768.db2.gz FTKYHBDORWXBEB-UHFFFAOYSA-N 1 2 249.398 4.027 20 70 BIIDLO