smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+](CC(=O)[O-])Cc1c([O-])cccc1Cl ZINC000133835056 591861548 /nfs/dbraw/zinc/86/15/48/591861548.db2.gz JPOAUXKMSFXROM-UHFFFAOYSA-N -2 1 229.663 1.562 20 10 BDCDML O=C([O-])CC(=O)NCc1cccc(Cl)c1[O-] ZINC001601887856 978861025 /nfs/dbraw/zinc/86/10/25/978861025.db2.gz AWTQJEFMLDICOU-UHFFFAOYSA-N -2 1 243.646 1.137 20 10 BDCDML