smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)([N-]c1ccc([O-])c2ccccc12)c1cc(Cl)ccc1Cl ZINC000005090912 570583268 /nfs/dbraw/zinc/58/32/68/570583268.db2.gz XFLGFIUELHVBGS-UHFFFAOYSA-N -2 3 368.241 4.653 10 10 FJCEHL