smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Cl)cc(/C=C/C=O)c1O 216763673 168759918 /nfs/dbraw/zinc/75/99/18/168759918.db2.gz SWBRYCAOTNQYJB-NSCUHMNNSA-N 0 0 196.633 2.566 40 50 AFGBRN