smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=NNC(=O)c1ccc(Cl)cc1[O-])c1cccc(N)c1 ZINC000254593777 427222742 /nfs/dbraw/zinc/22/27/42/427222742.db2.gz UHFLRFPWPIYNFA-UHFFFAOYSA-N -1 0 303.749 2.782 10 50 DFGERM