smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Oc2cc([O-])cc([N+](=O)[O-])c2)ccc1Cl ZINC000012846491 567116675 /nfs/dbraw/zinc/11/66/75/567116675.db2.gz ZGEFUHNNKULSBX-UHFFFAOYSA-N -1 1 279.679 4.055 50 5 CIBAMM