smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([C@@H](OCC(=O)NO)P(=O)([O-])[O-])cc1 ZINC000095552558 185008751 /nfs/dbraw/zinc/00/87/51/185008751.db2.gz MHACMGKSNPRZGQ-JTQLQIEISA-N -2 1 275.197 0.693 1 30 CCEFML CN(O)C(=O)CO[C@@H](c1ccc(F)cc1)P(=O)([O-])[O-] ZINC000095552879 185008300 /nfs/dbraw/zinc/00/83/00/185008300.db2.gz SWCPEEGLVGKZLQ-SNVBAGLBSA-N -2 1 293.187 0.866 1 30 CCEFML O=C(CO[C@H](c1ccc(F)cc1F)P(=O)([O-])[O-])NO ZINC000095555072 185008152 /nfs/dbraw/zinc/00/81/52/185008152.db2.gz WNCSNVYRBSIXFR-VIFPVBQESA-N -2 1 297.150 0.663 1 30 CCEFML O=C(CO[C@@H](c1ccc(F)cc1F)P(=O)([O-])[O-])NO ZINC000095555073 185008209 /nfs/dbraw/zinc/00/82/09/185008209.db2.gz WNCSNVYRBSIXFR-SECBINFHSA-N -2 1 297.150 0.663 1 30 CCEFML Cc1ccc([C@H](OCC(=O)NO)P(=O)([O-])[O-])cc1 ZINC000095552559 185008673 /nfs/dbraw/zinc/00/86/73/185008673.db2.gz MHACMGKSNPRZGQ-SNVBAGLBSA-N -2 1 275.197 0.693 1 30 CCEFML CN(O)C(=O)CO[C@H](c1ccc(F)cc1)P(=O)([O-])[O-] ZINC000095552880 185008498 /nfs/dbraw/zinc/00/84/98/185008498.db2.gz SWCPEEGLVGKZLQ-JTQLQIEISA-N -2 1 293.187 0.866 1 30 CCEFML CN(O)C(=O)CO[C@H](c1ccccc1)P(=O)([O-])[O-] ZINC000095554015 185008413 /nfs/dbraw/zinc/00/84/13/185008413.db2.gz JAIZGFIPNLDIAR-JTQLQIEISA-N -2 1 275.197 0.727 1 30 CCEFML O=P([O-])([O-])C(=Nc1cccnc1)[P@@](=O)([O-])O ZINC000040577164 174342114 /nfs/dbraw/zinc/34/21/14/174342114.db2.gz XXXSLRNRAZCBDE-UHFFFAOYSA-N -3 1 266.086 0.425 1 30 CCEFML CN(O)C(=O)CO[C@@H](c1ccccc1)P(=O)([O-])[O-] ZINC000095554014 185008023 /nfs/dbraw/zinc/00/80/23/185008023.db2.gz JAIZGFIPNLDIAR-SNVBAGLBSA-N -2 1 275.197 0.727 1 30 CCEFML