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-])c1ccc([O-])c(/C=N/N2CCN(/N=C/c3cc([N+](=O)[O-])ccc3O)CC2)c1 ZINC000001700760 557281732 /nfs/dbraw/zinc/28/17/32/557281732.db2.gz CNNJROHGOFQMMF-AYKLPDECSA-N -1 2 414.378 1.900 40 30 HDEBLM O=[N+]([O-])c1ccc([O-])c(/C=N\N2CCN(/N=C\c3cc([N+](=O)[O-])ccc3O)CC2)c1 ZINC000004990756 557622105 /nfs/dbraw/zinc/62/21/05/557622105.db2.gz CNNJROHGOFQMMF-YZLQMOBTSA-N -1 2 414.378 1.900 40 30 HDEBLM