smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1N1CCN(c2ccc(F)cc2)CC1 ZINC000032961909 556579790 /nfs/dbraw/zinc/57/97/90/556579790.db2.gz NDMMEIVROXIHOR-UHFFFAOYSA-N -2 1 469.538 3.960 10 0 JHAEML