smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc([O-])c(F)c2)co1 ZINC000160313568 436870575 /nfs/dbraw/zinc/87/05/75/436870575.db2.gz KHBWNDCQAAGOAT-UHFFFAOYSA-N -2 3 328.321 0.962 20 70 ECIDHL