smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+][C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OCCOCCOCC=S ZINC000584658203 374827858 /nfs/dbraw/zinc/82/78/58/374827858.db2.gz QGXUGYUJOCWVKV-ZIQFBCGOSA-N 1 0 325.383 -2.198 10 10 EACERO