smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c2ccccc2oc1-c1nc(=O)c2c(C)c(C(=O)[O-])sc2[n-]1 ZINC000012821508 564074601 /nfs/dbraw/zinc/07/46/01/564074601.db2.gz KMSATEWCIBPYBD-UHFFFAOYSA-N -2 3 340.360 3.713 10 0 EHAEHL CC1(C)CCc2c([O-])cc3occ(-c4ccc([O-])cc4)c(=O)c3c2O1 ZINC000096023777 563977902 /nfs/dbraw/zinc/97/79/02/563977902.db2.gz DXGNQQLBHOTANA-UHFFFAOYSA-N -2 3 338.359 3.975 10 0 biogenic EHAEHL O=C([O-])c1cccc(Nc2c3c(nc4ccc(C(=O)[O-])cc42)CCC3)c1 ZINC000004226664 210146442 /nfs/dbraw/zinc/14/64/42/210146442.db2.gz KJZFHFVHUBDUIB-UHFFFAOYSA-N -2 3 348.358 3.864 10 0 EHAEHL O=C([O-])c1ccc(Nc2c3c(nc4ccc(C(=O)[O-])cc42)CCC3)cc1 ZINC000004226665 210146582 /nfs/dbraw/zinc/14/65/82/210146582.db2.gz NRKSKMMVZZJPQJ-UHFFFAOYSA-N -2 3 348.358 3.864 10 0 EHAEHL