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-])c1cc(C(=O)[O-])c(-c2ccccc2[N+](=O)[O-])c(C(=O)[O-])c1 ZINC000026505882 202145539 /nfs/dbraw/zinc/14/55/39/202145539.db2.gz AUDKFZWRCDZRDA-UHFFFAOYSA-N -3 0 331.236 2.356 1 5 EEBFRL