smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)S(=O)(=O)c1ccc(OC)c([N-]S(=O)(=O)c2cccc(Cl)c2[O-])c1 ZINC000550105741 450603286 /nfs/dbraw/zinc/60/32/86/450603286.db2.gz ACZAFPIKANYZQM-UHFFFAOYSA-N -2 0 448.950 2.886 20 0 IFADRL COCCOc1cc(NS(=O)(=O)c2cccc(Cl)c2[O-])c(C(=O)[O-])cc1OC ZINC000670372484 450602589 /nfs/dbraw/zinc/60/25/89/450602589.db2.gz CJLCRTUVYNEUKN-UHFFFAOYSA-N -2 0 431.850 2.578 20 0 IFADRL COc1ccccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000002645953 562929166 /nfs/dbraw/zinc/92/91/66/562929166.db2.gz KFPVXJLWBOHVGL-UHFFFAOYSA-N -2 0 425.513 2.753 20 0 IFADRL