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)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CCC[C@@]2(C)CCO[P@@](=O)([O-])O ZINC000028336184 207340281 /nfs/dbraw/zinc/34/02/81/207340281.db2.gz JTUAZBDUOANPSM-CRSSMBPESA-N -1 2 388.529 6.171 1 0 GKAFLM CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CCC[C@@]2(C)CCO[P@](=O)([O-])O ZINC000028336184 207340284 /nfs/dbraw/zinc/34/02/84/207340284.db2.gz JTUAZBDUOANPSM-CRSSMBPESA-N -1 2 388.529 6.171 1 0 GKAFLM O=[P@]([O-])(O)C(F)(F)c1cccc(-c2cccc(C3CCCCCC3)c2O)c1 ZINC000096285008 211332009 /nfs/dbraw/zinc/33/20/09/211332009.db2.gz KTKQESOFGNESNN-UHFFFAOYSA-N -1 2 396.370 5.724 1 0 GKAFLM O=[P@@]([O-])(O)C(F)(F)c1cccc(-c2cccc(C3CCCCCC3)c2O)c1 ZINC000096285008 211332012 /nfs/dbraw/zinc/33/20/12/211332012.db2.gz KTKQESOFGNESNN-UHFFFAOYSA-N -1 2 396.370 5.724 1 0 GKAFLM O=[P@@]([O-])(O)C(F)(F)c1ccc(-c2cccc(Cc3ccc(F)cc3)c2)cc1 ZINC000096284990 208302300 /nfs/dbraw/zinc/30/23/00/208302300.db2.gz UGWFBSFOAIETOT-UHFFFAOYSA-N -1 2 392.313 5.311 1 0 GKAFLM O=[P@]([O-])(O)C(F)(F)c1ccc(-c2cccc(Cc3ccc(F)cc3)c2)cc1 ZINC000096284990 208302308 /nfs/dbraw/zinc/30/23/08/208302308.db2.gz UGWFBSFOAIETOT-UHFFFAOYSA-N -1 2 392.313 5.311 1 0 GKAFLM O=[P@]([O-])(O)C(F)(F)c1cccc(-c2cccc(C3CCCCC3)c2O)c1 ZINC000096284979 208302327 /nfs/dbraw/zinc/30/23/27/208302327.db2.gz JUSLBFDSFUTQKT-UHFFFAOYSA-N -1 2 382.343 5.334 1 0 GKAFLM O=[P@@]([O-])(O)C(F)(F)c1cccc(-c2cccc(C3CCCCC3)c2O)c1 ZINC000096284979 208302331 /nfs/dbraw/zinc/30/23/31/208302331.db2.gz JUSLBFDSFUTQKT-UHFFFAOYSA-N -1 2 382.343 5.334 1 0 GKAFLM