smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCc1cc2ccc3cccc4ccc(c1)c2c34 ZINC000100494216 169568755 /nfs/dbraw/zinc/56/87/55/169568755.db2.gz MAVZISTZUIWKIS-UHFFFAOYSA-N 0 0 244.337 5.537 2 5 BKBFRN