smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc2cc3oc(C)cc(O)c-3c(=O)c2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 ZINC000033753283 563084705 /nfs/dbraw/zinc/08/47/05/563084705.db2.gz CDMUGCVTTUOCFT-IAAKTDFRSA-N 0 1 434.397 0.148 1 5 ICBFMN CC(C)CN1CCN(C(=O)COC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000061944476 563151061 /nfs/dbraw/zinc/15/10/61/563151061.db2.gz UQEANGJNYLXOQG-UHFFFAOYSA-N 0 1 427.479 0.955 3 5 ICBFMN