smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)N[N-]C(=O)c1ccccn1 ZINC000793348943 978802833 /nfs/dbraw/zinc/80/28/33/978802833.db2.gz HQHMHJKMMJARQO-UHFFFAOYSA-N -2 2 353.331 0.851 20 50 FCGDLL O=C(NNC(=O)c1ccc(Cl)cc1O)c1ccc(-c2nn[nH]n2)nc1 ZINC000738137711 945248183 /nfs/dbraw/zinc/24/81/83/945248183.db2.gz YMFPFMFBISTRRI-UHFFFAOYSA-N -2 2 359.733 0.696 20 50 FCGDLL