smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1ccc(S(=O)(=O)Nc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1 ZINC000006088990 374262892 /nfs/dbraw/zinc/26/28/92/374262892.db2.gz RGVXXIIKYGWSMH-UHFFFAOYSA-N -2 0 327.278 -1.795 50 30 EAEARL