smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c2cc([O-])c(Cl)cc2sc1C(=O)[O-] ZINC000039391876 343389677 /nfs/dbraw/zinc/38/96/77/343389677.db2.gz PNENIOFRXDEHMH-UHFFFAOYSA-N -2 1 242.683 3.267 10 0 BGAEML O=C([O-])c1cccc(-c2ccc([O-])c(Cl)c2)c1 ZINC000065343247 182575105 /nfs/dbraw/zinc/57/51/05/182575105.db2.gz WTVDADSXEHLTGP-UHFFFAOYSA-N -2 1 248.665 3.411 10 0 BGAEML O=C([O-])c1ccc(-c2cccc([O-])c2Cl)cc1 ZINC000095935395 384415136 /nfs/dbraw/zinc/41/51/36/384415136.db2.gz TVDRPQCXBDJYMW-UHFFFAOYSA-N -2 1 248.665 3.411 10 0 BGAEML O=C([O-])c1ccccc1-c1ccc([O-])c(Cl)c1 ZINC000536952207 387164964 /nfs/dbraw/zinc/16/49/64/387164964.db2.gz BHAABOWDKLZQKY-UHFFFAOYSA-N -2 1 248.665 3.411 10 0 BGAEML