smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CC(=O)N/N=C(/C[C@H]1OC(=O)c2ccccc21)c1ccccc1O ZINC000005832276 717102639 /nfs/dbraw/zinc/10/26/39/717102639.db2.gz WBSJTVLPYRKLAX-LJQANCHMSA-O 1 0 382.440 2.221 40 50 GEGBRO C[N+](C)(C)CC(=O)N/N=C(/C[C@@H]1OC(=O)c2ccccc21)c1ccccc1O ZINC000005832281 717102681 /nfs/dbraw/zinc/10/26/81/717102681.db2.gz WBSJTVLPYRKLAX-IBGZPJMESA-O 1 0 382.440 2.221 40 50 GEGBRO