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)/[N+](O)=N/O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O ZINC000040836670 213393492 /nfs/dbraw/zinc/39/34/92/213393492.db2.gz RERCMIZLUUDBIZ-YQSYQUFJSA-N 1 0 336.345 -1.919 1 10 EACFRO