smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(CN=Nc2n[n-]c(SCC(=O)Nc3ccc(Cl)cc3F)n2)c([N+](=O)[O-])cc1[O-] ZINC000020227999 555718431 /nfs/dbraw/zinc/71/84/31/555718431.db2.gz BXPSLIVRWINAEO-QPSGOUHRSA-N -2 3 495.880 3.396 10 30 JGEEHL COc1cc(CN=Nc2n[n-]c(SCC(=O)Nc3cccc(Cl)c3)n2)c([N+](=O)[O-])cc1[O-] ZINC000020228003 555718647 /nfs/dbraw/zinc/71/86/47/555718647.db2.gz KJWDSJRTRDAYJH-DNTJNYDQSA-N -2 3 477.890 3.257 10 30 JGEEHL