smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc([N+](=O)[O-])cc(/C=N/c2ccc([N+](=O)[O-])cc2O)c1[O-] ZINC000102417399 219202011 /nfs/dbraw/zinc/20/20/11/219202011.db2.gz KCJQLWXIALSOEL-VIZOYTHASA-N -1 2 333.256 2.673 50 30 EFEALM