smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@H](O)[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)[O-] ZINC000033832845 182723384 /nfs/dbraw/zinc/72/33/84/182723384.db2.gz SWGKAHCIOQPKFW-ADAMHKFESA-N -2 0 312.230 -0.447 1 10 in-vitro DBCFRL