smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCCc1cc(=O)[n-]c(CCOC)n1 ZINC000217786466 174265585 /nfs/dbraw/zinc/26/55/85/174265585.db2.gz PSWBDJVJRFBEJJ-UHFFFAOYSA-N -1 3 226.276 0.950 40 70 BCIBHM