smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-c2[nH]nc3c2[C@H](c2cccs2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1 ZINC000008024963 557770199 /nfs/dbraw/zinc/77/01/99/557770199.db2.gz PNEXNZXBYMKFHQ-NRFANRHFSA-N -1 2 415.474 4.895 40 0 HJABLM Cc1ccc(-c2n[nH]c3c2[C@H](c2cccs2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1 ZINC000008024963 557770206 /nfs/dbraw/zinc/77/02/06/557770206.db2.gz PNEXNZXBYMKFHQ-NRFANRHFSA-N -1 2 415.474 4.895 40 0 HJABLM Cc1ccc(-c2[nH]nc3c2[C@@H](c2cccs2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1 ZINC000008024956 557770343 /nfs/dbraw/zinc/77/03/43/557770343.db2.gz PNEXNZXBYMKFHQ-OAQYLSRUSA-N -1 2 415.474 4.895 40 0 HJABLM Cc1ccc(-c2n[nH]c3c2[C@@H](c2cccs2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1 ZINC000008024956 557770346 /nfs/dbraw/zinc/77/03/46/557770346.db2.gz PNEXNZXBYMKFHQ-OAQYLSRUSA-N -1 2 415.474 4.895 40 0 HJABLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 ZINC000223369816 568546650 /nfs/dbraw/zinc/54/66/50/568546650.db2.gz XIYKYLBFDXMTFP-UHFFFAOYSA-N -1 2 421.833 4.770 40 0 HJABLM