smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1cc([O-])nc(C[C@H]2CCOC2)[n-]1 160812325 344178428 /nfs/dbraw/zinc/17/84/28/344178428.db2.gz RUJHCWCJOVYSRO-ZCFIWIBFSA-N -2 3 196.206 0.055 10 70 ACIEHL O=c1cc([O-])nc(C[C@@H]2CCOC2)[n-]1 160812199 344178545 /nfs/dbraw/zinc/17/85/45/344178545.db2.gz RUJHCWCJOVYSRO-LURJTMIESA-N -2 3 196.206 0.055 10 70 ACIEHL