smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)Oc1cccc(CNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC000218409866 568479963 /nfs/dbraw/zinc/47/99/63/568479963.db2.gz BKYGJEBESBSBQC-UHFFFAOYSA-N -1 0 424.522 4.205 40 70 HIIBRM COc1ccc(CN(C)C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000218413188 568480016 /nfs/dbraw/zinc/48/00/16/568480016.db2.gz CVYWDAVYMBCRJC-UHFFFAOYSA-N -1 0 424.522 4.077 40 70 HIIBRM