smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1C[C@H](C)[N@H+]1Cc1cccc(Cl)c1O ZINC000793228492 586014655 /nfs/dbraw/zinc/01/46/55/586014655.db2.gz MWDDWAUDLNLERX-DTORHVGOSA-N -1 2 225.719 3.028 20 10 BGCDLM