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-])Cc1cn(-c2cc3nc(C(=O)[O-])c(=O)[nH]c3cc2[N+](=O)[O-])c[nH+]1 ZINC000013553639 220073237 /nfs/dbraw/zinc/07/32/37/220073237.db2.gz DTSNQETVKJSQEE-UHFFFAOYSA-N -1 2 359.254 0.755 1 5 FCBFLM