smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1c2ccccc2c(C)c2ccccc21 ZINC000408918199 533673345 /nfs/dbraw/zinc/67/33/45/533673345.db2.gz HNOWJVLMRWLURB-UHFFFAOYSA-N -2 3 398.466 4.956 40 5 GJBBHL O=c1nc(C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000409333319 231191070 /nfs/dbraw/zinc/19/10/70/231191070.db2.gz JKUOKQCEKZZTNR-DJWKRKHSSA-N -2 3 394.170 4.533 40 5 GJBBHL