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(/C(=N\[O-])c2ccccc2)cc1 ZINC000108812172 182927138 /nfs/dbraw/zinc/92/71/38/182927138.db2.gz LNOLJFCCYQZFBQ-YPKPFQOOSA-N -1 1 242.234 2.821 30 30 BFECMM