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)CN(C[P@@](=O)([O-])O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000013910750 581093757 /nfs/dbraw/zinc/09/37/57/581093757.db2.gz IQHFJQXJLKTGJO-KRWDZBQOSA-N -2 0 408.391 2.638 1 0 HFAFRL O=C([O-])Cc1cccc2c1Cc1c-2[nH]c(=O)c2nc(-c3ccc(C(=O)[O-])cc3)cn12 ZINC000001486912 581102104 /nfs/dbraw/zinc/10/21/04/581102104.db2.gz XXVDZWXTCVZDLM-UHFFFAOYSA-N -2 0 401.378 2.586 1 0 HFAFRL CCN1C(C)=C(C(=O)NC(C)C)[C@H](c2ccccc2Cl)C(C(=O)[O-])=C1C(=O)[O-] ZINC000013553488 581098256 /nfs/dbraw/zinc/09/82/56/581098256.db2.gz OAVAPCQUXMEVTP-HNNXBMFYSA-N -2 0 406.866 2.981 1 0 HFAFRL CCN1C(C)=C(C(=O)NC(C)C)[C@@H](c2ccccc2Cl)C(C(=O)[O-])=C1C(=O)[O-] ZINC000013553487 581098238 /nfs/dbraw/zinc/09/82/38/581098238.db2.gz OAVAPCQUXMEVTP-OAHLLOKOSA-N -2 0 406.866 2.981 1 0 HFAFRL