smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(Nc2ccc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2S(=O)(=O)[O-])cc1 ZINC000004235516 569461103 /nfs/dbraw/zinc/46/11/03/569461103.db2.gz VZWWGAXAVADXQI-UHFFFAOYSA-N -1 0 444.425 4.545 10 5 IJBERM