smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)c(O)c1 ZINC000436731137 338284523 /nfs/dbraw/zinc/28/45/23/338284523.db2.gz NXAJCPILDFQTIU-UHFFFAOYSA-N -1 0 311.425 5.200 20 0 DKADRM CC(C)c1cccc(C(C)C)c1NC(=O)c1c([O-])cccc1F ZINC000436958675 338295871 /nfs/dbraw/zinc/29/58/71/338295871.db2.gz ISSFEWCIYOJUIE-UHFFFAOYSA-N -1 0 315.388 5.030 20 0 DKADRM CC(C)(C)CCC(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000496846512 340014393 /nfs/dbraw/zinc/01/43/93/340014393.db2.gz OLBANEHFYHXRQT-UHFFFAOYSA-N -1 0 324.635 5.117 20 0 DKADRM Cc1sc2nc(-c3ccccc3C(=O)[O-])cc(C3CC3)c2c1C ZINC000542456857 341008101 /nfs/dbraw/zinc/00/81/01/341008101.db2.gz WEDABSQDJQVHOA-UHFFFAOYSA-N -1 0 323.417 5.156 20 0 DKADRM