smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCN1CCCc2cc(C[NH2+]CCC[NH+](CC)CC)ccc21 ZINC000032919776 202241855 /nfs/dbraw/zinc/24/18/55/202241855.db2.gz YWPRAKNWNJNTJD-UHFFFAOYSA-N 2 0 331.548 4.061 50 10 EICARP