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-])c1ccccc1-c1ccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000058138657 568889995 /nfs/dbraw/zinc/88/99/95/568889995.db2.gz QOCIOEOMMXCGMK-UHFFFAOYSA-N 2 1 423.538 4.445 50 5 HIBAMP