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-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000262300982 304144346 /nfs/dbraw/zinc/14/43/46/304144346.db2.gz QEWLLDMIDJXNSY-NDMJEZRESA-N -2 0 334.328 2.158 20 5 EEBDRL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC000362281226 465627535 /nfs/dbraw/zinc/62/75/35/465627535.db2.gz BKPRDIGOVJURLU-UHFFFAOYSA-N -2 0 342.354 2.464 20 5 EEBDRL O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001610749566 1352268694 /nfs/dbraw/zinc/26/86/94/1352268694.db2.gz FAAWDYOUDDFNAL-HNNXBMFYSA-N -2 0 342.307 2.125 20 5 EEBDRL Cc1oc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cc1C(=O)[O-] ZINC001608057307 1351615959 /nfs/dbraw/zinc/61/59/59/1351615959.db2.gz UZKRAPRSGFSVTM-UHFFFAOYSA-N -2 0 344.276 2.134 20 5 EEBDRL C[C@@](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])(C(=O)[O-])c1ccccc1 ZINC001589063434 955733875 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