smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000217457722 569880097 /nfs/dbraw/zinc/88/00/97/569880097.db2.gz QJKHZNZHQXABJA-MWKCUULMSA-N 0 0 466.487 -0.053 40 70 JBIBRN