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([O-])c1cc([N+](=O)[O-])c(C(=O)[O-])cc1Oc1cc(Cl)c(Cl)cc1Cl ZINC000008935086 571163653 /nfs/dbraw/zinc/16/36/53/571163653.db2.gz ABHIMKZVRRZYKJ-UHFFFAOYSA-N -2 0 406.561 4.744 50 5 HJBARL COc1cc(-c2cc(C(=O)[O-])c3c(ccc4ccccc43)n2)ccc1O[C@@H](C)C(=O)[O-] ZINC000004507768 558621935 /nfs/dbraw/zinc/62/19/35/558621935.db2.gz KECNSUZBDCJCNS-ZDUSSCGKSA-N -2 0 417.417 4.614 50 5 HJBARL COc1cc(-c2cc(C(=O)[O-])c3c(ccc4ccccc43)n2)ccc1O[C@H](C)C(=O)[O-] ZINC000004507771 558621902 /nfs/dbraw/zinc/62/19/02/558621902.db2.gz KECNSUZBDCJCNS-CYBMUJFWSA-N -2 0 417.417 4.614 50 5 HJBARL