smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1[O-] ZINC000000608213 570438283 /nfs/dbraw/zinc/43/82/83/570438283.db2.gz JFIOVJDNOJYLKP-UHFFFAOYSA-N -2 3 356.057 5.863 50 0 world FKAAHL CC1(C)C[C@](C)(c2cc(Cl)c([O-])cc2O)Oc2cc([O-])c(Cl)cc21 ZINC000001440846 571104349 /nfs/dbraw/zinc/10/43/49/571104349.db2.gz VSHLILKLIDPGCI-GOSISDBHSA-N -2 3 369.244 5.086 50 0 FKAAHL CC1(C)C[C@@](C)(c2cc(Cl)c([O-])cc2O)Oc2cc([O-])c(Cl)cc21 ZINC000001440847 204007328 /nfs/dbraw/zinc/00/73/28/204007328.db2.gz VSHLILKLIDPGCI-SFHVURJKSA-N -2 3 369.244 5.086 50 0 in-vitro FKAAHL CCCCCCc1cc2cc(-c3nc4ccccc4[n-]3)c(=O)oc2cc1[O-] ZINC000002105787 571277689 /nfs/dbraw/zinc/27/76/89/571277689.db2.gz YOWGEJICJCYWTE-UHFFFAOYSA-N -2 3 362.429 5.165 50 0 FKAAHL CC(C)(C)c1cc(C(C)(C)C)c([O-])c2oc(-c3cc(Cl)ccc3[O-])nc21 ZINC000002945411 204069756 /nfs/dbraw/zinc/06/97/56/204069756.db2.gz MYCUDPHEBOAOTR-UHFFFAOYSA-N -2 3 373.880 6.154 50 0 FKAAHL CCCCCCc1cc2c(cc1[O-])occ(-c1nc3ccccc3[n-]1)c2=O ZINC000011867608 571322134 /nfs/dbraw/zinc/32/21/34/571322134.db2.gz KXSRNGWRFUJMGE-UHFFFAOYSA-N -2 3 362.429 5.165 50 0 FKAAHL