smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([N-]c2ncnc(Nc3ccc(C(=O)[O-])cc3)c2[N+](=O)[O-])nc1 ZINC000040660646 205076127 /nfs/dbraw/zinc/07/61/27/205076127.db2.gz NJVWLVAYVIJVBJ-UHFFFAOYSA-N -2 1 366.337 3.274 10 5 FGBEML