smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCN1CCC([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000045187306 205092356 /nfs/dbraw/zinc/09/23/56/205092356.db2.gz KENIXQIUAWECQM-UHFFFAOYSA-N 2 3 387.612 4.296 1 0 GIAFHP