smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)([N-]c1nccs1)c1cccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])c1 ZINC000436478135 450603324 /nfs/dbraw/zinc/60/33/24/450603324.db2.gz OZLCMEULJWAPOE-UHFFFAOYSA-N -3 3 445.931 3.104 20 0 IGADHL CCN(CC)S(=O)(=O)c1cc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])ccc1C ZINC000573904019 450602715 /nfs/dbraw/zinc/60/27/15/450602715.db2.gz JPOZJVWQSCMIIF-UHFFFAOYSA-N -2 3 432.951 3.185 20 0 IGADHL O=c1[n-]c(-c2cc([N-]S(=O)(=O)c3cccc(Cl)c3[O-])cc(C(F)(F)F)c2)n[nH]1 ZINC000550105537 450602913 /nfs/dbraw/zinc/60/29/13/450602913.db2.gz LILXDUYAVKYVSY-UHFFFAOYSA-N -3 3 434.783 3.356 20 0 IGADHL