smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Br)c([O-])c(C=NNC(=O)[O-])c1 ZINC000833897337 605886318 /nfs/dbraw/zinc/88/63/18/605886318.db2.gz IMQKWFXJMNSZQC-UHFFFAOYSA-N -2 1 273.086 2.065 20 50 CEGDML Cc1nc(C(=O)[N-]NC(=O)[O-])c(-c2ccccc2)s1 ZINC000833912268 605487142 /nfs/dbraw/zinc/48/71/42/605487142.db2.gz FIFRFTYJNYQNHR-UHFFFAOYSA-N -2 1 277.305 2.031 20 50 CEGDML Cc1cc(Br)c([O-])c(C=NN(C)C(=O)[O-])c1 ZINC000833897366 605887847 /nfs/dbraw/zinc/88/78/47/605887847.db2.gz JANSBCNTEQUNLC-UHFFFAOYSA-N -2 1 287.113 2.407 20 50 CEGDML