smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH2+][C@](C)(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO ZINC000026647765 207317693 /nfs/dbraw/zinc/31/76/93/207317693.db2.gz IYMQHQXCXLDREF-GOSISDBHSA-N -1 2 378.450 2.126 10 30 GEEELM