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-])CCCCn1c(=O)c2sccc2nc1SCc1ccc([N+](=O)[O-])cc1 ZINC000020645860 568638886 /nfs/dbraw/zinc/63/88/86/568638886.db2.gz GNSWGEITJULGCJ-UHFFFAOYSA-N -1 0 419.484 3.913 10 5 HHBERM O=C([O-])c1ccc(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)cc1O ZINC000003146426 568858217 /nfs/dbraw/zinc/85/82/17/568858217.db2.gz XQBMUZWTIJZZOW-UHFFFAOYSA-N -1 0 420.333 3.592 10 5 HHBERM