smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000035686068 527648080 /nfs/dbraw/zinc/64/80/80/527648080.db2.gz DKKCCNCPIMYVHP-OAHLLOKOSA-N -1 0 423.834 2.704 10 5 HFBERM COC(=O)CC(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)=C([O-])c1ccccc1 ZINC000105923187 560877940 /nfs/dbraw/zinc/87/79/40/560877940.db2.gz OZTJSURCAFGKAP-CYBMUJFWSA-N -1 0 418.789 2.818 10 5 HFBERM COC(=O)CC(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)=C([O-])c1ccccc1 ZINC000105923183 560877987 /nfs/dbraw/zinc/87/79/87/560877987.db2.gz OZTJSURCAFGKAP-ZDUSSCGKSA-N -1 0 418.789 2.818 10 5 HFBERM