smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cc2cccc([O-])c2o1 6094464 171019384 /nfs/dbraw/zinc/01/93/84/171019384.db2.gz OORAPRXPQXVOLQ-UHFFFAOYSA-N -1 0 179.131 2.047 20 5 AEBDRM CC(C)Cc1cc([N+](=O)[O-])ccc1[O-] 59784062 343347537 /nfs/dbraw/zinc/34/75/37/343347537.db2.gz KUXCNLALBPWCNO-UHFFFAOYSA-N -1 0 195.218 2.499 20 5 AEBDRM