smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1cc(Oc2cccc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)c2)ccc1[N+](=O)[O-] ZINC000084707221 569709531 /nfs/dbraw/zinc/70/95/31/569709531.db2.gz LMKLMODJWFEJMY-UHFFFAOYSA-N -1 1 453.398 4.789 10 5 JJBEMM