smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(NC(=O)C[N+]2(C)CCCCC2)cc1NC(=O)C[N+]1(C)CCCCC1 ZINC000033882459 717123117 /nfs/dbraw/zinc/12/31/17/717123117.db2.gz SDRRFSUAKIWESJ-UHFFFAOYSA-P 2 0 402.583 3.133 10 30 HGEERP