smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(C[NH+]2CCC([N@H+](CCc3ccccc3)Cc3ccccc3)CC2)cc1 ZINC000004745628 557063512 /nfs/dbraw/zinc/06/35/12/557063512.db2.gz LLPPXVOBZICTHH-UHFFFAOYSA-N 2 2 429.564 5.304 50 5 IKBALP O=[N+]([O-])c1ccc(C[NH+]2CCC([N@@H+](CCc3ccccc3)Cc3ccccc3)CC2)cc1 ZINC000004745628 557063515 /nfs/dbraw/zinc/06/35/15/557063515.db2.gz LLPPXVOBZICTHH-UHFFFAOYSA-N 2 2 429.564 5.304 50 5 IKBALP