smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)c1C ZINC000514300715 1059191029 /nfs/dbraw/zinc/19/10/29/1059191029.db2.gz RFNCAASTPGWCIK-UHFFFAOYSA-N -2 0 552.549 2.764 20 0 KFADRL