smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1Cc2cc(S(=O)(=O)[N-]c3cc([O-])cc(F)c3)c(Cl)cc2N1 ZINC000161292749 326994700 /nfs/dbraw/zinc/99/47/00/326994700.db2.gz QZJAYFBZAYZMMX-UHFFFAOYSA-N -2 3 356.762 2.480 20 70 FEIDHL Cc1ccc(-c2nc([N-]C(=O)c3cc(S(C)(=O)=O)cs3)n[n-]2)o1 ZINC000160339602 546032071 /nfs/dbraw/zinc/03/20/71/546032071.db2.gz POHOIWAHPVUIIE-UHFFFAOYSA-N -2 3 352.397 2.090 20 70 FEIDHL O=C(NCCC[N-]S(=O)(=O)c1cc2ccccc2o1)c1cccc([O-])c1 ZINC000160741311 546067891 /nfs/dbraw/zinc/06/78/91/546067891.db2.gz PLYBCFWVRFJVCF-UHFFFAOYSA-N -2 3 374.418 2.237 20 70 FEIDHL O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1 ZINC000161292421 326994690 /nfs/dbraw/zinc/99/46/90/326994690.db2.gz JYMRZZGAKLXJCO-UHFFFAOYSA-N -2 3 350.371 2.459 20 70 FEIDHL