smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)[C@@H](CCc1cc(N)ccc1OS(=O)(=O)C(F)(F)F)c1ccccc1 ZINC000071296198 563161717 /nfs/dbraw/zinc/16/17/17/563161717.db2.gz BXMFTYSYMLJTLV-INIZCTEOSA-N 0 0 431.432 3.777 1 70 IHIFRN