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-])c1ccc2c(Cl)ccc([O-])c2n1 ZINC000148336711 342790683 /nfs/dbraw/zinc/79/06/83/342790683.db2.gz RTGPGEKBENMYPC-UHFFFAOYSA-N -2 3 223.615 2.292 10 0 BEAEHL Cc1c([O-])c(Br)ccc1C(=O)[O-] ZINC000060193117 342943434 /nfs/dbraw/zinc/94/34/34/342943434.db2.gz ZNXBWRATNRIIRR-UHFFFAOYSA-N -2 3 231.045 2.161 10 0 BEAEHL O=C([O-])/C=C/c1ccc(Br)c([O-])c1 ZINC000306806874 351058539 /nfs/dbraw/zinc/05/85/39/351058539.db2.gz LCQWCASSXVDSTJ-DUXPYHPUSA-N -2 3 243.056 2.253 10 0 BEAEHL O=c1[n-]c(-c2ncccc2[O-])nc2ccccc21 ZINC000001849178 188274104 /nfs/dbraw/zinc/27/41/04/188274104.db2.gz DFLPHUUSUILRHI-UHFFFAOYSA-N -2 3 239.234 2.103 10 0 BEAEHL O=C([O-])Cc1c([O-])cccc1C(F)(F)F ZINC000215753860 371627285 /nfs/dbraw/zinc/62/72/85/371627285.db2.gz ORIWKXZIAFGDAQ-UHFFFAOYSA-N -2 3 220.146 2.038 10 0 BEAEHL O=C([O-])/C=C\c1cc(Br)ccc1[O-] ZINC000011801693 182415306 /nfs/dbraw/zinc/41/53/06/182415306.db2.gz UMKKBQOEMLWVAQ-RJRFIUFISA-N -2 3 243.056 2.253 10 0 BEAEHL CCCS(=O)(=O)[N-]c1cc(Cl)ccc1[O-] ZINC000034939303 169334123 /nfs/dbraw/zinc/33/41/23/169334123.db2.gz SEDPKIBYLVPGRO-UHFFFAOYSA-N -2 3 249.719 2.197 10 0 BEAEHL O=C([O-])Cc1cc(C(F)F)cc(F)c1[O-] ZINC000575666497 387317184 /nfs/dbraw/zinc/31/71/84/387317184.db2.gz DYUAWKQZWWWGMU-UHFFFAOYSA-N -2 3 220.146 2.096 10 0 BEAEHL Cc1cc([O-])c(C(F)F)cc1C(=O)[O-] ZINC000575668849 387321992 /nfs/dbraw/zinc/32/19/92/387321992.db2.gz ORXIIIXXYREDMZ-UHFFFAOYSA-N -2 3 202.156 2.336 10 0 BEAEHL O=C([O-])Cc1c([O-])cc(F)cc1C(F)F ZINC000575669146 387332791 /nfs/dbraw/zinc/33/27/91/387332791.db2.gz XAOTXGBFAANAII-UHFFFAOYSA-N -2 3 220.146 2.096 10 0 BEAEHL O=Cc1ccc([O-])c(CC(F)(F)F)c1[O-] ZINC000222229890 490156094 /nfs/dbraw/zinc/15/60/94/490156094.db2.gz KGRMDTVTPDOTHP-UHFFFAOYSA-N -2 3 220.146 2.015 10 0 BEAEHL O=C([O-])/C=C/c1c([O-])cccc1Br ZINC000306949316 353046772 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