smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(OCCCc2c([O-])nc(Nc3ccc4c(c3)CCC4)[n-]c2=O)ccc1[N+](=O)[O-] ZINC000028570192 563070661 /nfs/dbraw/zinc/07/06/61/563070661.db2.gz UTZJPPYHOXWXNS-UHFFFAOYSA-N -2 3 452.467 3.636 1 5 JHBFHL CCCN(Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1ncc([N+](=O)[O-])cc1C(=O)[O-] ZINC000013832838 563000064 /nfs/dbraw/zinc/00/00/64/563000064.db2.gz FCTBRBKIZSSSQO-UHFFFAOYSA-N -2 3 459.466 3.952 1 5 JHBFHL CCCN(Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1ncc([N+](=O)[O-])cc1C(=O)[O-] ZINC000013832838 563000065 /nfs/dbraw/zinc/00/00/65/563000065.db2.gz FCTBRBKIZSSSQO-UHFFFAOYSA-N -2 3 459.466 3.952 1 5 JHBFHL