smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCC(=O)N1 ZINC000150350663 571461947 /nfs/dbraw/zinc/46/19/47/571461947.db2.gz HBRSBSZURRWMML-ZIUUJSQJSA-N -1 2 759.777 -1.965 40 0 KAABLM