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-])CN(CC(=O)[O-])Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O ZINC000003861001 209457022 /nfs/dbraw/zinc/45/70/22/209457022.db2.gz PWIGYBONXWGOQE-UHFFFAOYSA-N -2 2 385.328 0.844 50 10 biogenic,in-vitro GCCALL