smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 ZINC000218401589 570333427 /nfs/dbraw/zinc/33/34/27/570333427.db2.gz BIOWWQLEMFXWRI-UHFFFAOYSA-N -1 3 394.452 3.541 40 70 GHIBHM Cc1cc(C(=O)Nc2ccc(OC3CCCC3)cc2)ccc1[N-]S(C)(=O)=O ZINC000218595872 570337341 /nfs/dbraw/zinc/33/73/41/570337341.db2.gz PLJUYVJYNPHNMG-UHFFFAOYSA-N -1 3 388.489 3.940 40 70 GHIBHM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000218217659 570327913 /nfs/dbraw/zinc/32/79/13/570327913.db2.gz GGTPACFSNQFYRF-UHFFFAOYSA-N -1 3 393.770 3.946 40 70 GHIBHM