smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2nc(-c3ccc(-c4cccc([N+](=O)[O-])c4)o3)[nH]c2c1 ZINC000085345414 563912563 /nfs/dbraw/zinc/91/25/63/563912563.db2.gz AUDFHOUNBUDZRW-UHFFFAOYSA-N 0 1 319.320 4.707 40 5 DJBBMN Cc1ccc2nc(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)[nH]c2c1 ZINC000085345400 563912650 /nfs/dbraw/zinc/91/26/50/563912650.db2.gz QJJTVIUSANCSFO-UHFFFAOYSA-N 0 1 319.320 4.707 40 5 DJBBMN Cc1ccc2nc(-c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[nH]c2c1 ZINC000085345424 563912645 /nfs/dbraw/zinc/91/26/45/563912645.db2.gz FMPMTCHAWUYUIT-UHFFFAOYSA-N 0 1 319.320 4.707 40 5 DJBBMN