smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1[n-]n2c(nc(CNNc3ccc(S(=O)(=O)[O-])cc3)cc2=O)c1[N+](=O)[O-] ZINC000028352223 207341536 /nfs/dbraw/zinc/34/15/36/207341536.db2.gz XOOXWDYZHZCIMB-UHFFFAOYSA-N -2 0 395.357 0.289 1 5 GCBFRL O=C([O-])C[C@@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1cccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC000029405510 207362645 /nfs/dbraw/zinc/36/26/45/207362645.db2.gz VPAAVSOEUZBKJK-ZCFIWIBFSA-N -2 0 394.218 0.963 1 5 GCBFRL