smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C(=O)c1ccc(O)c(C(F)(F)F)c1O ZINC000076914461 388671499 /nfs/dbraw/zinc/67/14/99/388671499.db2.gz NYFNJYJWOHQAMU-UHFFFAOYSA-N -2 2 248.200 2.955 50 0 BFAALL