smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1[nH]cnc1=NC(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1[O-] ZINC000762571345 1077863331 /nfs/dbraw/zinc/86/33/31/1077863331.db2.gz WRROQSXWUKQLLG-UHFFFAOYSA-N -2 0 418.391 0.904 20 10 HCCDRL