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-])c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000408940308 231133904 /nfs/dbraw/zinc/13/39/04/231133904.db2.gz UVTOROKUYXZVDP-NTEUORMPSA-N -2 2 380.312 1.749 40 10 GDCBLL