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-])CCc1ccccc1/N=N/c1ccc(C(=O)[O-])cc1 ZINC000095561035 185009493 /nfs/dbraw/zinc/00/94/93/185009493.db2.gz KIPMSWHHCNILAT-ISLYRVAYSA-N -2 0 298.298 3.817 1 10 CHCFRL