smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc2ccc3ccccc3c2cc1CN(C)C ZINC000001248494 178297384 /nfs/dbraw/zinc/29/73/84/178297384.db2.gz SHHGHUVUBNVWJE-UHFFFAOYSA-N 0 3 249.357 4.363 50 5 BIBAHN