smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(CCc1ccc(OCc2cccc(C(=O)[O-])c2)cc1)=NNC(=O)C[N+](C)(C)C ZINC000814694323 717191097 /nfs/dbraw/zinc/19/10/97/717191097.db2.gz FOYJBNKCWXGSTP-UHFFFAOYSA-O 0 0 412.510 3.095 20 50 HGGDRN