smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCO[P@](=O)([O-])[C@@H](N[C@@H](CO)C(=O)[O-])c1ccccc1O ZINC000073198521 191291786 /nfs/dbraw/zinc/29/17/86/191291786.db2.gz RCEVIMUPIOPADY-GXSJLCMTSA-N -2 0 319.250 0.648 1 10 DCCFRL C[C@@H]1O[C@@H](CC(=O)[O-])C[C@@H]2C(=O)c3cccc(O)c3C(=O)[C@]12O ZINC000005752305 560202854 /nfs/dbraw/zinc/20/28/54/560202854.db2.gz IRFITFGOKXSNHV-GRJBMBSXSA-N -2 0 320.297 0.771 1 10 in-vitro DCCFRL CCO[P@](=O)([O-])[C@H](N[C@@H](CO)C(=O)[O-])c1ccccc1O ZINC000073198520 191290949 /nfs/dbraw/zinc/29/09/49/191290949.db2.gz RCEVIMUPIOPADY-ONGXEEELSA-N -2 0 319.250 0.648 1 10 DCCFRL C[C@@H]1O[C@@H](CC(=O)[O-])C[C@H]2C(=O)c3cccc(O)c3C(=O)[C@@]21O ZINC000005752304 560202890 /nfs/dbraw/zinc/20/28/90/560202890.db2.gz IRFITFGOKXSNHV-DWOGJIGDSA-N -2 0 320.297 0.771 1 10 in-vitro DCCFRL