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(c1ccccc1)c1cc(C(=O)c2ccccc2)c(O)cc1[O-] ZINC000002507941 563305306 /nfs/dbraw/zinc/30/53/06/563305306.db2.gz GOZHNJTXLALKRL-UHFFFAOYSA-N -1 2 318.328 3.560 40 0 DHABLM O=C([O-])Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000003750791 181044766 /nfs/dbraw/zinc/04/47/66/181044766.db2.gz GQZFEKUVFZTZHM-UHFFFAOYSA-N -1 2 321.170 3.655 40 0 DHABLM O=C(C=C([O-])c1ccccc1Cl)C=C(O)c1ccccc1 ZINC000100478329 563550963 /nfs/dbraw/zinc/55/09/63/563550963.db2.gz NECJZFQJCVKVEE-UHFFFAOYSA-N -1 2 300.741 3.755 40 0 DHABLM O=C(C=C([O-])c1ccccc1)C=C(O)c1ccccc1Cl ZINC000100478329 563550966 /nfs/dbraw/zinc/55/09/66/563550966.db2.gz NECJZFQJCVKVEE-UHFFFAOYSA-N -1 2 300.741 3.755 40 0 DHABLM O=S(c1cc(Cl)ccc1[O-])c1cc(Cl)ccc1O ZINC000001608799 563287489 /nfs/dbraw/zinc/28/74/89/563287489.db2.gz RTKDHPNYIPCHSF-UHFFFAOYSA-N -1 2 303.166 3.571 40 0 DHABLM O=C(C=C([O-])c1cccc(Cl)c1)C=C(O)c1ccccc1 ZINC000100478301 563550952 /nfs/dbraw/zinc/55/09/52/563550952.db2.gz WTFVUWNHNQDAHY-UHFFFAOYSA-N -1 2 300.741 3.755 40 0 DHABLM O=C(C=C([O-])c1ccccc1)C=C(O)c1cccc(Cl)c1 ZINC000100478301 563550956 /nfs/dbraw/zinc/55/09/56/563550956.db2.gz WTFVUWNHNQDAHY-UHFFFAOYSA-N -1 2 300.741 3.755 40 0 DHABLM