smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH+]cn(CCC[NH+]2CCCCC2)c1C ZINC000161097615 323009489 /nfs/dbraw/zinc/00/94/89/323009489.db2.gz CXFJFFSWADFLAN-UHFFFAOYSA-N 2 2 221.348 2.376 50 70 BEIALP