smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1c2cccc3c(Oc4ccccc4[N+](=O)[O-])ccc(c23)C(=O)N1c1ccc([N+](=O)[O-])cc1O ZINC000020508225 527126026 /nfs/dbraw/zinc/12/60/26/527126026.db2.gz DOMCCIPBQCVBBW-UHFFFAOYSA-N 0 2 471.381 4.955 10 5 JJBELN