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-])CN(CC(=O)[O-])c1ccc(/C=C/C(=O)c2ccccc2O)cc1 ZINC000003898707 204114001 /nfs/dbraw/zinc/11/40/01/204114001.db2.gz FHJYGHYYXFWQKI-JXMROGBWSA-N -2 1 355.346 2.264 40 30 FEEBML CC(=NNc1nc([O-])c(CC(=O)[O-])s1)c1ccc(Br)cc1 ZINC000006014527 207126353 /nfs/dbraw/zinc/12/63/53/207126353.db2.gz BTWUVWNJCQXANQ-QOZZSIDGSA-N -2 1 370.228 2.235 40 30 FEEBML