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-])C(=O)C=C(O)c1ccc2ccc3c(F)cccc3c2c1 ZINC000096937948 185392875 /nfs/dbraw/zinc/39/28/75/185392875.db2.gz MSMBZQAJRFIEAP-UHFFFAOYSA-N -1 2 310.280 3.359 1 5 DGBFLM O=C([O-])C(=O)C=C(O)c1ccc2c(ccc3c(F)cccc32)c1 ZINC000096937901 185393049 /nfs/dbraw/zinc/39/30/49/185393049.db2.gz LXEIIJISDVAKJV-UHFFFAOYSA-N -1 2 310.280 3.359 1 5 DGBFLM O=C([O-])C(=O)C=C(O)c1ccc2ccc3ccccc3c2c1F ZINC000096937902 185392910 /nfs/dbraw/zinc/39/29/10/185392910.db2.gz AVOBDIZHTDYPFM-UHFFFAOYSA-N -1 2 310.280 3.359 1 5 DGBFLM