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-])c1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)F)c2)cc1 ZINC000768890057 978740540 /nfs/dbraw/zinc/74/05/40/978740540.db2.gz FUXIKRJILVGXML-UHFFFAOYSA-N -2 1 359.356 1.844 20 70 FDIDML O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1 ZINC000771831591 978743796 /nfs/dbraw/zinc/74/37/96/978743796.db2.gz NVJIKRNJHTZRQU-UHFFFAOYSA-N -2 1 359.356 1.844 20 70 FDIDML O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)F)c2)c1 ZINC000768887868 978739923 /nfs/dbraw/zinc/73/99/23/978739923.db2.gz XCZJERPYIPVSGN-UHFFFAOYSA-N -2 1 359.356 1.844 20 70 FDIDML CS(=O)(=O)c1nnc(NC(=O)c2cc(-c3ccc(F)cc3)on2)[n-]1 ZINC000160319140 524856657 /nfs/dbraw/zinc/85/66/57/524856657.db2.gz KNCGUKPXUBMTOP-UHFFFAOYSA-N -2 1 351.319 1.255 20 70 FDIDML O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)F)c2)cc1 ZINC000780365096 978790525 /nfs/dbraw/zinc/79/05/25/978790525.db2.gz HJZIDMQFENHRCZ-UHFFFAOYSA-N -2 1 359.356 1.844 20 70 FDIDML O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)F)c2)c1 ZINC000780393598 978790504 /nfs/dbraw/zinc/79/05/04/978790504.db2.gz HIHJLTJWXSMPCW-UHFFFAOYSA-N -2 1 373.383 1.773 20 70 FDIDML O=C([O-])c1cccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)F)c2)c1 ZINC000780365544 955341651 /nfs/dbraw/zinc/34/16/51/955341651.db2.gz MSLNIHKQKDSNFA-UHFFFAOYSA-N -2 1 359.356 1.844 20 70 FDIDML O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)F)c2)cc1 ZINC000768885960 978739874 /nfs/dbraw/zinc/73/98/74/978739874.db2.gz FERZHPINAFUUHJ-UHFFFAOYSA-N -2 1 373.383 1.773 20 70 FDIDML