smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCN1CCc2cccc3c2[C@H]1Cc1ccc(OS(=O)(=O)C(F)(F)F)c(OC)c1-3 ZINC000036187806 563091862 /nfs/dbraw/zinc/09/18/62/563091862.db2.gz VFZQJEHONJLING-MRXNPFEDSA-N 0 3 441.471 4.456 1 70 IIIFHN