smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1c([O-])c(CC=C(C)C)cc2c([O-])c3c(=O)ccc(O)c-3oc21 ZINC000014763077 563764077 /nfs/dbraw/zinc/76/40/77/563764077.db2.gz XOFZQNNUVXEIJS-UHFFFAOYSA-N -2 3 342.347 3.580 40 5 endogenous,in-man EHBBHL O=C([O-])c1cc(OCc2cccc3ccccc32)cc([N+](=O)[O-])c1[O-] ZINC000216754252 241208455 /nfs/dbraw/zinc/20/84/55/241208455.db2.gz USZRLEWWQJARRJ-UHFFFAOYSA-N -2 3 339.303 3.731 40 5 EHBBHL O=C([O-])c1cc(OCc2ccc3ccccc3c2)cc([N+](=O)[O-])c1[O-] ZINC000216932782 241225105 /nfs/dbraw/zinc/22/51/05/241225105.db2.gz IOCGGSMHSFMJTD-UHFFFAOYSA-N -2 3 339.303 3.731 40 5 EHBBHL