smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1C ZINC000006556318 181354014 /nfs/dbraw/zinc/35/40/14/181354014.db2.gz HLMSNQZZJAMDED-UHFFFAOYSA-N 0 2 316.342 2.814 3 5 DFBFLN