smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(NN=Cc2ccc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])cc1 ZINC000301054774 527367005 /nfs/dbraw/zinc/36/70/05/527367005.db2.gz JUALIKZKOPFCOP-UHFFFAOYSA-N -2 0 401.378 1.534 10 30 HDEERL