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(NCc1cc(Cl)cc(Cl)c1[O-])c1c([O-])cc(F)cc1F ZINC000807839815 1135581095 /nfs/dbraw/zinc/58/10/95/1135581095.db2.gz RHZWPQJRPXDXRM-UHFFFAOYSA-N -2 0 348.132 3.613 20 10 EHCDRL O=S(=O)([N-]c1cc(F)c([O-])cc1F)c1cc2ccccc2s1 ZINC001185462956 1134091764 /nfs/dbraw/zinc/09/17/64/1134091764.db2.gz RLWPZTLUWKSHPU-UHFFFAOYSA-N -2 0 341.360 3.686 20 10 EHCDRL O=S(=O)(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc(F)cc1 ZINC000130172708 1137834627 /nfs/dbraw/zinc/83/46/27/1137834627.db2.gz YKXLRXKYIOJZDP-UHFFFAOYSA-N -2 0 336.171 3.639 20 10 EHCDRL Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)s1 ZINC000130176134 1137834785 /nfs/dbraw/zinc/83/47/85/1137834785.db2.gz NTZMPNSCOPRXIC-UHFFFAOYSA-N -2 0 338.237 3.870 20 10 EHCDRL COc1ccccc1S(=O)(=O)[N-]c1cc(Cl)c([O-])c(Cl)c1 ZINC000120438246 1137267468 /nfs/dbraw/zinc/26/74/68/1137267468.db2.gz MEDKGGUOICPFTN-UHFFFAOYSA-N -2 0 348.207 3.508 20 10 EHCDRL Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc(O)c(Cl)c3)c2n1 ZINC000776750861 1136632917 /nfs/dbraw/zinc/63/29/17/1136632917.db2.gz LZEOUPFWCOHMQN-UHFFFAOYSA-N -2 0 348.811 3.703 20 10 EHCDRL COc1cc(C(=O)[O-])ccc1NCc1c(O)ccc(Cl)c1F ZINC001599375208 998473993 /nfs/dbraw/zinc/47/39/93/998473993.db2.gz MEXCMVWMHAEZIE-UHFFFAOYSA-N -2 0 325.723 3.504 20 10 EHCDRL Cc1cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)sc1C ZINC000808115031 1135618811 /nfs/dbraw/zinc/61/88/11/1135618811.db2.gz MCYCJJYYXKOMMX-UHFFFAOYSA-N -2 0 335.809 3.664 20 10 EHCDRL Cc1ccc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)cc1C ZINC000170268021 1033066838 /nfs/dbraw/zinc/06/68/38/1033066838.db2.gz CCKJTDYFXSZEIH-UHFFFAOYSA-N -2 0 329.780 3.602 20 10 EHCDRL O=S(=O)([N-]c1cc(Cl)c([O-])cc1F)c1ccc(Cl)s1 ZINC000808115458 1135619470 /nfs/dbraw/zinc/61/94/70/1135619470.db2.gz FAKJUCQFKMJLBH-UHFFFAOYSA-N -2 0 342.200 3.700 20 10 EHCDRL O=S(=O)([N-]c1ccc([O-])c(F)c1F)c1cc2ccccc2s1 ZINC001185454610 1134090582 /nfs/dbraw/zinc/09/05/82/1134090582.db2.gz QCOCHVUIBQFTPZ-UHFFFAOYSA-N -2 0 341.360 3.686 20 10 EHCDRL O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1ccc([O-])c(Cl)c1 ZINC000807838607 1135581863 /nfs/dbraw/zinc/58/18/63/1135581863.db2.gz ZAVSLFSAVUHINO-UHFFFAOYSA-N -2 0 346.597 3.988 20 10 EHCDRL O=S(=O)([N-]c1cc(Cl)c([O-])cc1F)c1cc2ccccc2o1 ZINC000808113483 1135618558 /nfs/dbraw/zinc/61/85/58/1135618558.db2.gz AHASTTIUXSOFNW-UHFFFAOYSA-N -2 0 341.747 3.732 20 10 EHCDRL Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000179445269 1016871721 /nfs/dbraw/zinc/87/17/21/1016871721.db2.gz DBYUHYWGPHABJC-UHFFFAOYSA-N -2 0 332.208 3.808 20 10 EHCDRL O=S(=O)([N-]c1cc(F)c([O-])c(F)c1)c1cc2ccccc2s1 ZINC001185460787 1134092483 /nfs/dbraw/zinc/09/24/83/1134092483.db2.gz WNYYCSFFROKWAG-UHFFFAOYSA-N -2 0 341.360 3.686 20 10 EHCDRL O=C([O-])Cc1cccc(NCc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000819579909 597139575 /nfs/dbraw/zinc/13/95/75/597139575.db2.gz PSBSGGNZCXUSDV-UHFFFAOYSA-N -2 0 326.179 3.938 20 10 EHCDRL O=S(=O)([N-]c1cc(F)c([O-])c(F)c1)c1csc2ccccc21 ZINC001186495536 1134222433 /nfs/dbraw/zinc/22/24/33/1134222433.db2.gz QDFFXMYZOMUSIL-UHFFFAOYSA-N -2 0 341.360 3.686 20 10 EHCDRL Cc1ccc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)c(C)c1 ZINC000170268668 1033067606 /nfs/dbraw/zinc/06/76/06/1033067606.db2.gz GLPRNWXWTCNGIE-UHFFFAOYSA-N -2 0 329.780 3.602 20 10 EHCDRL O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1c([O-])c(O)ccc1F ZINC000789994329 1134356261 /nfs/dbraw/zinc/35/62/61/1134356261.db2.gz CGSXIDXELPGTQI-UHFFFAOYSA-N -2 0 332.114 3.502 20 10 EHCDRL O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1cc(F)c([O-])c(F)c1 ZINC000807841243 1135576502 /nfs/dbraw/zinc/57/65/02/1135576502.db2.gz VRSCFCOKGQRWBU-UHFFFAOYSA-N -2 0 348.132 3.613 20 10 EHCDRL CCc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)s1 ZINC000808113927 1135618936 /nfs/dbraw/zinc/61/89/36/1135618936.db2.gz MNWWTQUAQMWRLO-UHFFFAOYSA-N -2 0 335.809 3.609 20 10 EHCDRL O=S(=O)([N-]c1cc(Cl)c([O-])c(Cl)c1)c1cccc(F)c1 ZINC000130178402 1137834789 /nfs/dbraw/zinc/83/47/89/1137834789.db2.gz KBMIRINAVBSORL-UHFFFAOYSA-N -2 0 336.171 3.639 20 10 EHCDRL O=S(=O)([N-]c1cc(Cl)c([O-])c(Cl)c1)c1ccccc1F ZINC000130178832 1137834780 /nfs/dbraw/zinc/83/47/80/1137834780.db2.gz MCGUQBYYFBKVMC-UHFFFAOYSA-N -2 0 336.171 3.639 20 10 EHCDRL