smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)c1ccc2cc(/C=C\c3cc[n+](CC[N+](C)(C)C)cc3)ccc2c1 ZINC000006661929 717104735 /nfs/dbraw/zinc/10/47/35/717104735.db2.gz MQPIBFMKDALBKZ-UHFFFAOYSA-N 2 0 389.587 4.850 10 5 GJBERP