smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(/C=N/NC(=O)C[N+](C)(C)C)ccc1OCc1nc2ccccc2nc1C ZINC000016265374 717112256 /nfs/dbraw/zinc/11/22/56/717112256.db2.gz JEWDGJJBJYVVIY-ZMOGYAJESA-O 1 0 422.509 2.682 40 50 HFGBRO