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](OC(=O)c1cc(O)c([O-])c(O)c1)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-] ZINC000095913756 565183933 /nfs/dbraw/zinc/18/39/33/565183933.db2.gz KJWXZHRHCSMFSY-XFWSIPNHSA-N -3 3 362.243 -2.419 1 10 biogenic,in-vitro FACFHL