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-])c1c2oc3cc([O-])ccc3c2nc2ccccc21 ZINC000004369183 567938148 /nfs/dbraw/zinc/93/81/48/567938148.db2.gz LGWDQMQGODEEQS-UHFFFAOYSA-N -2 3 279.251 3.538 50 5 CHBAHL