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-])c1c2cccc([O-])c2cc2c3ccccc3ccc21 ZINC000006118436 170177472 /nfs/dbraw/zinc/17/74/72/170177472.db2.gz JJSLHWGBQRWXCX-UHFFFAOYSA-N -1 3 289.290 4.760 10 5 CJBEHM