smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(S(=O)(=O)[N-]c2ccccc2Oc2ncccc2C#N)cc(C(=O)[O-])c1C ZINC000471125536 989232250 /nfs/dbraw/zinc/23/22/50/989232250.db2.gz SNBRGVPNWZHFLI-UHFFFAOYSA-N -2 0 423.450 3.861 20 30 HHEDRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)c(C#N)c1 ZINC000488340296 999448188 /nfs/dbraw/zinc/44/81/88/999448188.db2.gz ZKNDZEQELLOIRE-UHFFFAOYSA-N -2 0 424.434 3.858 20 30 HHEDRL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c(C(F)(F)F)c1 ZINC000520767882 1009837008 /nfs/dbraw/zinc/83/70/08/1009837008.db2.gz DHQQLZGZJRYIHM-UHFFFAOYSA-N -2 0 404.753 3.729 20 30 HHEDRL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000547874854 1010458845 /nfs/dbraw/zinc/45/88/45/1010458845.db2.gz PGKVVXPIENZZJE-UHFFFAOYSA-N -2 0 402.325 3.524 20 30 HHEDRL Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(SCCC(=O)[O-])c1 ZINC000484496379 996821721 /nfs/dbraw/zinc/82/17/21/996821721.db2.gz IGLWZRDUSMTZFF-UHFFFAOYSA-N -2 0 410.904 3.888 20 30 HHEDRL CCOc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(C(=O)[O-])cc1OCC ZINC000479513856 999453562 /nfs/dbraw/zinc/45/35/62/999453562.db2.gz NNAMLKPTXJUTOE-UHFFFAOYSA-N -2 0 424.862 3.508 20 30 HHEDRL N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)c(Cl)c1 ZINC000502797350 1005221929 /nfs/dbraw/zinc/22/19/29/1005221929.db2.gz CRKBSEJMIPERAY-UHFFFAOYSA-N -2 0 404.753 3.729 20 30 HHEDRL CSc1[n-]c(=O)c(C(=O)Nc2cc(Br)cc(Cl)c2[O-])cc1C#N ZINC000535653563 1007665522 /nfs/dbraw/zinc/66/55/22/1007665522.db2.gz AESTUSHCRUKQIH-UHFFFAOYSA-N -2 0 414.668 3.755 20 30 HHEDRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2cccc(C#N)c2)cc1 ZINC000520926289 1009981293 /nfs/dbraw/zinc/98/12/93/1009981293.db2.gz YTWOGRMKLJCWRO-UHFFFAOYSA-N -2 0 424.434 3.858 20 30 HHEDRL C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000520927193 1009982593 /nfs/dbraw/zinc/98/25/93/1009982593.db2.gz RIXABRHFBZSDRQ-AWEZNQCLSA-N -2 0 404.513 3.899 20 30 HHEDRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cc1 ZINC000541305974 1012011023 /nfs/dbraw/zinc/01/10/23/1012011023.db2.gz DBYBRVIOYYQCAB-NSHDSACASA-N -2 0 412.389 3.956 20 30 HHEDRL CC(C)N1C/C(=C\c2ccc(C(=O)[O-])cc2)C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)C1 ZINC000013343398 962388819 /nfs/dbraw/zinc/38/88/19/962388819.db2.gz LGQCEIFRWOFSJI-WELBJSHPSA-N -2 0 405.450 3.843 20 30 HHEDRL N#Cc1cccc(Oc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3O)cc2)c1 ZINC000436995308 981674301 /nfs/dbraw/zinc/67/43/01/981674301.db2.gz QOFMISNOBYAXLM-UHFFFAOYSA-N -2 0 410.407 3.555 20 30 HHEDRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1Oc1ncccc1C#N ZINC000466340849 991597623 /nfs/dbraw/zinc/59/76/23/991597623.db2.gz XKNMWSUGMCSXGH-UHFFFAOYSA-N -2 0 409.423 3.553 20 30 HHEDRL N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000760361164 1072277311 /nfs/dbraw/zinc/27/73/11/1072277311.db2.gz OEYXCOUSAPMKSP-UHFFFAOYSA-N -2 0 419.217 3.534 20 30 HHEDRL N#Cc1cccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3F)cc2)c1 ZINC000438762702 983054413 /nfs/dbraw/zinc/05/44/13/983054413.db2.gz XJMIAQCOQWZUFV-UHFFFAOYSA-N -2 0 412.398 3.989 20 30 HHEDRL N#Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)ccc1OC(F)(F)F ZINC000442220677 984740143 /nfs/dbraw/zinc/74/01/43/984740143.db2.gz JZYLEAMADPQRBH-UHFFFAOYSA-N -2 0 420.752 3.609 20 30 HHEDRL N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(F)(F)F)c(Cl)c1 ZINC000471967662 990132519 /nfs/dbraw/zinc/13/25/19/990132519.db2.gz RZWVNHHHLDWIBF-UHFFFAOYSA-N -2 0 420.752 3.609 20 30 HHEDRL CCOc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(C(=O)[O-])cc1OCC ZINC000502797373 1005222094 /nfs/dbraw/zinc/22/20/94/1005222094.db2.gz CZVVXOKFBZXXFS-UHFFFAOYSA-N -2 0 424.862 3.508 20 30 HHEDRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1)C(=O)[O-] ZINC000544629735 1010253023 /nfs/dbraw/zinc/25/30/23/1010253023.db2.gz GSMDTUQWLPSCJT-NSHDSACASA-N -2 0 412.389 3.641 20 30 HHEDRL N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])c(C(F)(F)F)c1 ZINC000541006226 1011639899 /nfs/dbraw/zinc/63/98/99/1011639899.db2.gz GTXCYLLFRCIUSP-UHFFFAOYSA-N -2 0 412.389 3.785 20 30 HHEDRL N#Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc(CCCC(=O)[O-])cc1 ZINC000436474002 981392627 /nfs/dbraw/zinc/39/26/27/981392627.db2.gz BFZDEUUBPFZWDT-UHFFFAOYSA-N -2 0 423.288 3.529 20 30 HHEDRL N#Cc1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2[O-])ccc1F ZINC000436722024 981531138 /nfs/dbraw/zinc/53/11/38/981531138.db2.gz MQZPXTCPTHDVSI-UHFFFAOYSA-N -2 0 417.443 3.518 20 30 HHEDRL N#Cc1ccc(C(=O)[O-])nc1/C=C/c1ccc(/C=C/c2nc(C(=O)[O-])ccc2C#N)cc1 ZINC000509692756 1004033757 /nfs/dbraw/zinc/03/37/57/1004033757.db2.gz VJJILJHNADYFKC-NXZHAISVSA-N -2 0 422.400 3.957 20 30 HHEDRL Cc1ccc(C#N)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-] ZINC000436541113 981430253 /nfs/dbraw/zinc/43/02/53/981430253.db2.gz SQNPUVSLTUXFCP-UHFFFAOYSA-N -2 0 413.480 3.687 20 30 HHEDRL Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(SCCC(=O)[O-])c1 ZINC000484495884 996820953 /nfs/dbraw/zinc/82/09/53/996820953.db2.gz GZLJJNFEGSNPTA-UHFFFAOYSA-N -2 0 410.904 3.888 20 30 HHEDRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C#Cc1ccccc1 ZINC000476416719 996879640 /nfs/dbraw/zinc/87/96/40/996879640.db2.gz HUAHBLURUBUESY-UHFFFAOYSA-N -2 0 421.474 3.523 20 30 HHEDRL Cc1cc(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000493978165 1000249241 /nfs/dbraw/zinc/24/92/41/1000249241.db2.gz RBNQHNRCVRZRNZ-UHFFFAOYSA-N -2 0 413.393 3.661 20 30 HHEDRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cc1)C(=O)[O-] ZINC000543661104 1009270566 /nfs/dbraw/zinc/27/05/66/1009270566.db2.gz DTVBZGSBEPOYKI-LLVKDONJSA-N -2 0 412.389 3.641 20 30 HHEDRL N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Oc2ccccc2)c(F)c1 ZINC000523529781 1012057516 /nfs/dbraw/zinc/05/75/16/1012057516.db2.gz LHBUKUXAEONUGB-UHFFFAOYSA-N -2 0 412.398 3.989 20 30 HHEDRL O=C1/C(=C/c2ccc([N+](=O)[O-])c([O-])c2)CSC/C1=C\c1ccc([N+](=O)[O-])c([O-])c1 ZINC000220961139 970099401 /nfs/dbraw/zinc/09/94/01/970099401.db2.gz JBCYGRRSVAXXTE-ACFHMISVSA-N -2 0 414.395 3.697 20 30 HHEDRL O=C([O-])c1cc([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)cc(C(F)(F)F)c1 ZINC000430978033 977923850 /nfs/dbraw/zinc/92/38/50/977923850.db2.gz YRQSGFBSLXEIDS-UHFFFAOYSA-N -2 0 417.258 3.761 20 30 HHEDRL Cc1ccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c(SCCC(=O)[O-])c1 ZINC000484507668 996836512 /nfs/dbraw/zinc/83/65/12/996836512.db2.gz ZSWJBMUUNBVCQB-UHFFFAOYSA-N -2 0 412.439 3.513 20 30 HHEDRL N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC000547866055 1010457367 /nfs/dbraw/zinc/45/73/67/1010457367.db2.gz PXXSACLGBHOZBL-UHFFFAOYSA-N -2 0 404.753 3.729 20 30 HHEDRL N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Oc2ccccc2)s1 ZINC000435497502 980903651 /nfs/dbraw/zinc/90/36/51/980903651.db2.gz PUUYQTZESJHZBW-UHFFFAOYSA-N -2 0 400.437 3.911 20 30 HHEDRL N#Cc1ccc(Oc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3O)c2)cc1 ZINC000436998194 981676075 /nfs/dbraw/zinc/67/60/75/981676075.db2.gz YDDLTENEDOIDPW-UHFFFAOYSA-N -2 0 410.407 3.555 20 30 HHEDRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C#N)ccc1OC(F)F ZINC000476380830 996822205 /nfs/dbraw/zinc/82/22/05/996822205.db2.gz RRVNDMMQWSCFOP-UHFFFAOYSA-N -2 0 416.789 3.621 20 30 HHEDRL CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl ZINC000485251999 997640169 /nfs/dbraw/zinc/64/01/69/997640169.db2.gz IQVLHMMPSRPXMA-UHFFFAOYSA-N -2 0 423.878 3.541 20 30 HHEDRL N#Cc1ccc(C(=O)[O-])nc1/C=C/c1cccc(/C=C\c2nc(C(=O)[O-])ccc2C#N)c1 ZINC000505479575 1000804619 /nfs/dbraw/zinc/80/46/19/1000804619.db2.gz JQVMFDFCDYMSBG-MVTUOISNSA-N -2 0 422.400 3.957 20 30 HHEDRL Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c(SCCC(=O)[O-])c1 ZINC000460443449 982234672 /nfs/dbraw/zinc/23/46/72/982234672.db2.gz BEVYFHIEAYODDG-UHFFFAOYSA-N -2 0 410.904 3.888 20 30 HHEDRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000520615539 1009691157 /nfs/dbraw/zinc/69/11/57/1009691157.db2.gz BYLHICLOBPWJMU-UHFFFAOYSA-N -2 0 424.434 3.858 20 30 HHEDRL COc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)c(Cl)cc1C(=O)[O-] ZINC000435141787 980674516 /nfs/dbraw/zinc/67/45/16/980674516.db2.gz BPPSGMMFVNPKBW-UHFFFAOYSA-N -2 0 424.862 3.506 20 30 HHEDRL CSc1[n-]c(=O)c(C(=O)Nc2cc(Cl)cc(Br)c2[O-])cc1C#N ZINC000483129390 995992836 /nfs/dbraw/zinc/99/28/36/995992836.db2.gz SIAJPOWAQWDEPV-UHFFFAOYSA-N -2 0 414.668 3.755 20 30 HHEDRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000484976020 997343179 /nfs/dbraw/zinc/34/31/79/997343179.db2.gz UKKKRYQBHGUYKB-UHFFFAOYSA-N -2 0 412.389 3.740 20 30 HHEDRL N#Cc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000438795619 983075937 /nfs/dbraw/zinc/07/59/37/983075937.db2.gz YUVPGNAYYSHFIE-UHFFFAOYSA-N -2 0 412.398 3.989 20 30 HHEDRL N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(F)(F)F)c1 ZINC000479527262 999461885 /nfs/dbraw/zinc/46/18/85/999461885.db2.gz HJLINBPHLHUMED-UHFFFAOYSA-N -2 0 420.752 3.609 20 30 HHEDRL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C#Cc2ccccc2)c1 ZINC000512970898 1004737891 /nfs/dbraw/zinc/73/78/91/1004737891.db2.gz XEZNSNXJGVWKAK-UHFFFAOYSA-N -2 0 421.474 3.523 20 30 HHEDRL CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000511267717 1005099064 /nfs/dbraw/zinc/09/90/64/1005099064.db2.gz ABMOONSBOIZWKC-UHFFFAOYSA-N -2 0 402.472 3.968 20 30 HHEDRL N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000547868937 1010457311 /nfs/dbraw/zinc/45/73/11/1010457311.db2.gz ADZLGBDPHOFBTM-UHFFFAOYSA-N -2 0 404.753 3.729 20 30 HHEDRL Cc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000468108637 985769935 /nfs/dbraw/zinc/76/99/35/985769935.db2.gz FONDEWRVLXVOBG-UHFFFAOYSA-N -2 0 413.393 3.661 20 30 HHEDRL COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Oc1ccccc1 ZINC000463530069 986506822 /nfs/dbraw/zinc/50/68/22/986506822.db2.gz ASKUFFFHZVTULD-UHFFFAOYSA-N -2 0 424.434 3.858 20 30 HHEDRL N#Cc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)ccc1Oc1ccccc1 ZINC000488380845 999466735 /nfs/dbraw/zinc/46/67/35/999466735.db2.gz ALPAYBWFZVUESB-UHFFFAOYSA-N -2 0 400.437 3.911 20 30 HHEDRL CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2 ZINC000511273150 1005102241 /nfs/dbraw/zinc/10/22/41/1005102241.db2.gz TYHHXNBJQHQISJ-UHFFFAOYSA-N -2 0 414.483 3.723 20 30 HHEDRL C[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1)C(=O)[O-] ZINC000544629732 1010253151 /nfs/dbraw/zinc/25/31/51/1010253151.db2.gz GSMDTUQWLPSCJT-LLVKDONJSA-N -2 0 412.389 3.641 20 30 HHEDRL Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)c(SCCC(=O)[O-])c1 ZINC000548205530 1010560676 /nfs/dbraw/zinc/56/06/76/1010560676.db2.gz CAPHIJYTYOEKIR-UHFFFAOYSA-N -2 0 410.904 3.888 20 30 HHEDRL CCCN1C/C(=C/c2ccc(C(=O)[O-])cc2)C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)C1 ZINC000206663292 970008857 /nfs/dbraw/zinc/00/88/57/970008857.db2.gz FBBLCCKIXJNEQU-FDYZEBBJSA-N -2 0 405.450 3.845 20 30 HHEDRL Cc1ncc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Oc2ccccc2)cc1C#N ZINC000427197216 974971751 /nfs/dbraw/zinc/97/17/51/974971751.db2.gz PCJBWJYVZVOZAN-UHFFFAOYSA-N -2 0 409.423 3.553 20 30 HHEDRL Cc1cc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000469190160 986914815 /nfs/dbraw/zinc/91/48/15/986914815.db2.gz HGIGHJPODQBJLJ-UHFFFAOYSA-N -2 0 413.393 3.661 20 30 HHEDRL O=C([O-])c1ccc([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1C(F)(F)F ZINC000507934979 1002468912 /nfs/dbraw/zinc/46/89/12/1002468912.db2.gz LZYPAFXKUUKHTK-UHFFFAOYSA-N -2 0 417.258 3.761 20 30 HHEDRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2Oc2ncccc2C#N)c1C ZINC000515633952 1006569538 /nfs/dbraw/zinc/56/95/38/1006569538.db2.gz MGIBQSIEWGYXGK-UHFFFAOYSA-N -2 0 423.450 3.861 20 30 HHEDRL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)c(C(F)(F)F)c1 ZINC000533950711 1008227831 /nfs/dbraw/zinc/22/78/31/1008227831.db2.gz NKNBUBKADKGPEQ-UHFFFAOYSA-N -2 0 412.389 3.785 20 30 HHEDRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C#Cc2cccs2)c1 ZINC000022959481 963743607 /nfs/dbraw/zinc/74/36/07/963743607.db2.gz GLQVRTDBNFBUDK-UHFFFAOYSA-N -2 0 413.476 3.656 20 30 HHEDRL CCCc1c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cnn1-c1cccc(C#N)c1 ZINC000438841050 983109093 /nfs/dbraw/zinc/10/90/93/983109093.db2.gz OKSSIYKPIMNLAA-UHFFFAOYSA-N -2 0 424.482 3.504 20 30 HHEDRL COc1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)c(Cl)cc1C(=O)[O-] ZINC000485294535 997698760 /nfs/dbraw/zinc/69/87/60/997698760.db2.gz YLBQVLYUWZSNDF-UHFFFAOYSA-N -2 0 424.862 3.506 20 30 HHEDRL N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c(C(F)(F)F)c1 ZINC000548521517 1010656133 /nfs/dbraw/zinc/65/61/33/1010656133.db2.gz ODVUOJNMKHOQRF-UHFFFAOYSA-N -2 0 404.753 3.729 20 30 HHEDRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000410029533 973507529 /nfs/dbraw/zinc/50/75/29/973507529.db2.gz MCHLHGHYZWODPK-UHFFFAOYSA-N -2 0 416.402 3.798 20 30 HHEDRL N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000479482438 999437128 /nfs/dbraw/zinc/43/71/28/999437128.db2.gz SWSKOEFDJUOHLV-UHFFFAOYSA-N -2 0 404.753 3.729 20 30 HHEDRL N#C[C@@H](c1ccccc1)c1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1Cl ZINC000509645437 1004002895 /nfs/dbraw/zinc/00/28/95/1004002895.db2.gz AILSZIVRZRYJBJ-INIZCTEOSA-N -2 0 415.858 3.823 20 30 HHEDRL Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(F)F)c(C)c1CC(=O)[O-] ZINC000554636293 1013996005 /nfs/dbraw/zinc/99/60/05/1013996005.db2.gz APDWRTPDUYAHOD-UHFFFAOYSA-N -2 0 424.425 3.513 20 30 HHEDRL N#Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])ccc1Oc1ccccc1 ZINC000436725931 981533275 /nfs/dbraw/zinc/53/32/75/981533275.db2.gz WIFCOACAWJIFLK-UHFFFAOYSA-N -2 0 410.407 3.555 20 30 HHEDRL CCCc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cnn1-c1cccc(C#N)c1 ZINC000438844125 983111232 /nfs/dbraw/zinc/11/12/32/983111232.db2.gz XOBAYGOJTVHSMU-UHFFFAOYSA-N -2 0 424.482 3.504 20 30 HHEDRL N#Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1Oc1ccccc1 ZINC000488326590 999441544 /nfs/dbraw/zinc/44/15/44/999441544.db2.gz GOLPIQXVVIQHMD-UHFFFAOYSA-N -2 0 400.437 3.911 20 30 HHEDRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ncccc2C#N)c(C)c1C(=O)[O-] ZINC000512724553 1004519721 /nfs/dbraw/zinc/51/97/21/1004519721.db2.gz FIFSCNSSCGYNTP-UHFFFAOYSA-N -2 0 423.450 3.861 20 30 HHEDRL N#Cc1cccnc1Oc1ccccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000511120837 1005029168 /nfs/dbraw/zinc/02/91/68/1005029168.db2.gz DUHIWJKSKOUODG-UHFFFAOYSA-N -2 0 423.450 3.564 20 30 HHEDRL CCn1cc(S(=O)(=O)[N-]c2cccc(Oc3ccc(C#N)cc3)c2)cc1C(=O)[O-] ZINC000504280619 1005588505 /nfs/dbraw/zinc/58/85/05/1005588505.db2.gz REEUFJPGHGUBHS-UHFFFAOYSA-N -2 0 411.439 3.671 20 30 HHEDRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cc1)C(=O)[O-] ZINC000543661503 1009270130 /nfs/dbraw/zinc/27/01/30/1009270130.db2.gz DTVBZGSBEPOYKI-NSHDSACASA-N -2 0 412.389 3.641 20 30 HHEDRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000520627713 1009704204 /nfs/dbraw/zinc/70/42/04/1009704204.db2.gz UNEXMUSEYPWZLW-UHFFFAOYSA-N -2 0 424.434 3.858 20 30 HHEDRL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000544096709 1009706721 /nfs/dbraw/zinc/70/67/21/1009706721.db2.gz PLMVTRGNVBISAM-NSHDSACASA-N -2 0 412.389 3.956 20 30 HHEDRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cc1 ZINC000541305973 1012011055 /nfs/dbraw/zinc/01/10/55/1012011055.db2.gz DBYBRVIOYYQCAB-LLVKDONJSA-N -2 0 412.389 3.956 20 30 HHEDRL CCCN1C/C(=C\c2ccc(C(=O)[O-])cc2)C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)C1 ZINC000206663336 970008958 /nfs/dbraw/zinc/00/89/58/970008958.db2.gz FBBLCCKIXJNEQU-ZIOPAAQOSA-N -2 0 405.450 3.845 20 30 HHEDRL N#Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(F)(F)F)ccc1Cl ZINC000471984580 990151050 /nfs/dbraw/zinc/15/10/50/990151050.db2.gz HNYRNGZSTUOTAS-UHFFFAOYSA-N -2 0 420.752 3.609 20 30 HHEDRL N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)(F)F)c1 ZINC000488286438 999424267 /nfs/dbraw/zinc/42/42/67/999424267.db2.gz AIVOZOWPAFOIHY-UHFFFAOYSA-N -2 0 420.752 3.609 20 30 HHEDRL Cc1cc(S(=O)(=O)[N-]c2ccccc2Oc2ncccc2C#N)ccc1C(=O)[O-] ZINC000506721223 1001504787 /nfs/dbraw/zinc/50/47/87/1001504787.db2.gz XNVGAJHPGRUOKE-UHFFFAOYSA-N -2 0 409.423 3.553 20 30 HHEDRL N#Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3O)cc2)cc1 ZINC000436993881 981673554 /nfs/dbraw/zinc/67/35/54/981673554.db2.gz IIOKKUQZBKBPMK-UHFFFAOYSA-N -2 0 410.407 3.555 20 30 HHEDRL CCc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ncccc2C#N)cc1C(=O)[O-] ZINC000441318932 984179823 /nfs/dbraw/zinc/17/98/23/984179823.db2.gz SMVRQWVJTAJPSO-UHFFFAOYSA-N -2 0 423.450 3.807 20 30 HHEDRL Cc1cc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000468748244 986461425 /nfs/dbraw/zinc/46/14/25/986461425.db2.gz OKRZQEAXIHNKNB-UHFFFAOYSA-N -2 0 413.393 3.661 20 30 HHEDRL Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)c(C)c1CC(=O)[O-] ZINC000543864066 1009430756 /nfs/dbraw/zinc/43/07/56/1009430756.db2.gz VEBAJISXDFUQIB-UHFFFAOYSA-N -2 0 416.499 3.699 20 30 HHEDRL Cc1c(C#N)cccc1NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-] ZINC000436604766 981470361 /nfs/dbraw/zinc/47/03/61/981470361.db2.gz OLQCPYGLAJTNII-UHFFFAOYSA-N -2 0 413.480 3.687 20 30 HHEDRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000467760409 993004404 /nfs/dbraw/zinc/00/44/04/993004404.db2.gz SPDJOUHJIFXOPS-UHFFFAOYSA-N -2 0 416.386 3.890 20 30 HHEDRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1SC[C@@H](C)C#N ZINC000518646560 1008378136 /nfs/dbraw/zinc/37/81/36/1008378136.db2.gz ULZUJUOXNHYHDM-NSHDSACASA-N -2 0 408.476 3.885 20 30 HHEDRL C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000520927194 1009982710 /nfs/dbraw/zinc/98/27/10/1009982710.db2.gz RIXABRHFBZSDRQ-CQSZACIVSA-N -2 0 404.513 3.899 20 30 HHEDRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(F)F)cc1C(=O)[O-] ZINC000479239551 999340152 /nfs/dbraw/zinc/34/01/52/999340152.db2.gz LFOQCWIFQCNTRV-UHFFFAOYSA-N -2 0 416.789 3.621 20 30 HHEDRL N#C[C@H](c1ccccc1)c1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1Cl ZINC000509645438 1004002971 /nfs/dbraw/zinc/00/29/71/1004002971.db2.gz AILSZIVRZRYJBJ-MRXNPFEDSA-N -2 0 415.858 3.823 20 30 HHEDRL C=CCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)c1 ZINC000476384514 996826782 /nfs/dbraw/zinc/82/67/82/996826782.db2.gz BOZUAGWQUXIGNA-UHFFFAOYSA-N -2 0 412.261 3.513 20 30 HHEDRL CCCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cnn1-c1cccc(C#N)c1 ZINC000507979690 1002508248 /nfs/dbraw/zinc/50/82/48/1002508248.db2.gz OCIDJLMMSGGMJY-UHFFFAOYSA-N -2 0 424.482 3.504 20 30 HHEDRL N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccc(CCCC(=O)[O-])cc1 ZINC000534686233 1006667387 /nfs/dbraw/zinc/66/73/87/1006667387.db2.gz FSFNTZQZRBKCAX-UHFFFAOYSA-N -2 0 412.389 3.785 20 30 HHEDRL N#Cc1ccccc1Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000409871256 973337789 /nfs/dbraw/zinc/33/77/89/973337789.db2.gz RBWJDGHJAXFYRX-UHFFFAOYSA-N -2 0 400.437 3.911 20 30 HHEDRL Cc1cc(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000469238001 986958375 /nfs/dbraw/zinc/95/83/75/986958375.db2.gz VAOCKPHPBRARNW-UHFFFAOYSA-N -2 0 413.393 3.661 20 30 HHEDRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)cc1C(=O)[O-] ZINC000479274710 999359635 /nfs/dbraw/zinc/35/96/35/999359635.db2.gz AVRCARJBBNODJQ-UHFFFAOYSA-N -2 0 408.863 3.806 20 30 HHEDRL N#Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)cc2)cc1 ZINC000519994739 1009146222 /nfs/dbraw/zinc/14/62/22/1009146222.db2.gz PNNVBWFNVMHQLX-UHFFFAOYSA-N -2 0 400.437 3.911 20 30 HHEDRL CCCN1C/C(=C\c2ccc(C(=O)[O-])cc2)C(=O)/C(=C\c2ccc(C(=O)[O-])cc2)C1 ZINC000013343412 962387911 /nfs/dbraw/zinc/38/79/11/962387911.db2.gz FBBLCCKIXJNEQU-AYRZQKSOSA-N -2 0 405.450 3.845 20 30 HHEDRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000484576004 996909159 /nfs/dbraw/zinc/90/91/59/996909159.db2.gz UIXZVVFUQCJELQ-UHFFFAOYSA-N -2 0 416.402 3.798 20 30 HHEDRL C=C(C)COc1cccc([N-]S(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)c1 ZINC000485276539 997670922 /nfs/dbraw/zinc/67/09/22/997670922.db2.gz OTBNGBNYSHHUBY-UHFFFAOYSA-N -2 0 411.863 3.803 20 30 HHEDRL N#Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC(F)(F)F)ccc1Cl ZINC000486110690 998557929 /nfs/dbraw/zinc/55/79/29/998557929.db2.gz OGZUQIBFZXXCTE-UHFFFAOYSA-N -2 0 420.752 3.609 20 30 HHEDRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000544096697 1009706662 /nfs/dbraw/zinc/70/66/62/1009706662.db2.gz PLMVTRGNVBISAM-LLVKDONJSA-N -2 0 412.389 3.956 20 30 HHEDRL O=C1/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)CSC/C1=C/c1ccc([O-])c([N+](=O)[O-])c1 ZINC000207008803 970010877 /nfs/dbraw/zinc/01/08/77/970010877.db2.gz TTWMGXMXQVKVGM-GFIWHYBVSA-N -2 0 414.395 3.697 20 30 HHEDRL N#Cc1ccc(Oc2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3F)c2)cc1 ZINC000438757980 983049581 /nfs/dbraw/zinc/04/95/81/983049581.db2.gz NEMHHPYNRQGPIA-UHFFFAOYSA-N -2 0 412.398 3.989 20 30 HHEDRL CCCc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cnn1-c1cccc(C#N)c1 ZINC000438818905 983092621 /nfs/dbraw/zinc/09/26/21/983092621.db2.gz MONKNNUTCKYEKU-UHFFFAOYSA-N -2 0 424.482 3.504 20 30 HHEDRL N#Cc1cc(F)c(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c(F)c1 ZINC000466267804 991512410 /nfs/dbraw/zinc/51/24/10/991512410.db2.gz DRGNTIHJUCEITD-UHFFFAOYSA-N -2 0 407.181 3.642 20 30 HHEDRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cc1 ZINC000484983408 997346588 /nfs/dbraw/zinc/34/65/88/997346588.db2.gz BTVMFXDHDYFNSK-UHFFFAOYSA-N -2 0 412.389 3.740 20 30 HHEDRL N#Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)(F)F)ccc1Cl ZINC000488285945 999424186 /nfs/dbraw/zinc/42/41/86/999424186.db2.gz ZWFXOBQJYCWDJC-UHFFFAOYSA-N -2 0 420.752 3.609 20 30 HHEDRL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)(F)F)cc1Cl ZINC000488322966 999439738 /nfs/dbraw/zinc/43/97/38/999439738.db2.gz PVNNUVUJKQCHFB-UHFFFAOYSA-N -2 0 420.752 3.609 20 30 HHEDRL N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1 ZINC000479525018 999460648 /nfs/dbraw/zinc/46/06/48/999460648.db2.gz IZRMAURTCYPFBJ-UHFFFAOYSA-N -2 0 404.753 3.729 20 30 HHEDRL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c(Cl)c1 ZINC000504024018 1005534794 /nfs/dbraw/zinc/53/47/94/1005534794.db2.gz ISKLBDQZDNXPHD-UHFFFAOYSA-N -2 0 404.753 3.729 20 30 HHEDRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cc(C#N)ccc1OC(C)C ZINC000479396004 1072809774 /nfs/dbraw/zinc/80/97/74/1072809774.db2.gz VZPGVHIWQQADOL-UHFFFAOYSA-N -2 0 408.863 3.806 20 30 HHEDRL N#CCCSc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000433503838 979342236 /nfs/dbraw/zinc/34/22/36/979342236.db2.gz XJXXMIORTBOHNC-UHFFFAOYSA-N -2 0 418.496 3.541 20 30 HHEDRL CC(=Cc1cccc(OCc2ccccc2C(=O)[O-])c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435339044 980795131 /nfs/dbraw/zinc/79/51/31/980795131.db2.gz NIPZHVAXYANNKD-GXDHUFHOSA-N -2 0 401.422 3.788 20 30 HHEDRL COc1cc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)c(Cl)cc1C(=O)[O-] ZINC000485269162 997663214 /nfs/dbraw/zinc/66/32/14/997663214.db2.gz IXFAZCPDADENHY-UHFFFAOYSA-N -2 0 424.862 3.530 20 30 HHEDRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1Oc1ncccc1C#N ZINC000477403442 998089091 /nfs/dbraw/zinc/08/90/91/998089091.db2.gz WAGUCLGDUNAWDU-UHFFFAOYSA-N -2 0 409.423 3.553 20 30 HHEDRL CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)cc1 ZINC000326686523 972746978 /nfs/dbraw/zinc/74/69/78/972746978.db2.gz RLFVZKYFEUSQDO-UHFFFAOYSA-N -2 0 423.288 3.749 20 30 HHEDRL N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(OC3CCCCC3)cc2C(=O)[O-])o1 ZINC000489455000 999770839 /nfs/dbraw/zinc/77/08/39/999770839.db2.gz WZEHSAFFAARCEB-UHFFFAOYSA-N -2 0 408.407 3.501 20 30 HHEDRL N#Cc1ccc(C(=O)[O-])nc1/C=C/c1ccc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cc1 ZINC000509692758 1004033627 /nfs/dbraw/zinc/03/36/27/1004033627.db2.gz VJJILJHNADYFKC-VTBWALSUSA-N -2 0 422.400 3.957 20 30 HHEDRL N#Cc1ccc(Oc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)c2)cc1 ZINC000521527351 1010440456 /nfs/dbraw/zinc/44/04/56/1010440456.db2.gz PRGHBUWWRLXOMQ-UHFFFAOYSA-N -2 0 400.437 3.911 20 30 HHEDRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2C#N)cc1 ZINC000409870779 973337078 /nfs/dbraw/zinc/33/70/78/973337078.db2.gz CTFWSHSTMWMSQU-UHFFFAOYSA-N -2 0 424.434 3.858 20 30 HHEDRL N#Cc1ccccc1Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1 ZINC000436998931 981676869 /nfs/dbraw/zinc/67/68/69/981676869.db2.gz ZWQCYPHMBPOQEG-UHFFFAOYSA-N -2 0 410.407 3.555 20 30 HHEDRL N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(F)(F)F)cc1Cl ZINC000471987229 990153649 /nfs/dbraw/zinc/15/36/49/990153649.db2.gz WZLGVBVWXVYYHA-UHFFFAOYSA-N -2 0 420.752 3.609 20 30 HHEDRL N#Cc1cccc(Oc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)cc2)c1 ZINC000521329110 1010309705 /nfs/dbraw/zinc/30/97/05/1010309705.db2.gz QRAQZJZDLOTKEU-UHFFFAOYSA-N -2 0 400.437 3.911 20 30 HHEDRL Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1F ZINC000547932251 1010472821 /nfs/dbraw/zinc/47/28/21/1010472821.db2.gz AFYINZQJMUKPPR-UHFFFAOYSA-N -2 0 402.325 3.524 20 30 HHEDRL N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000548228286 1010566546 /nfs/dbraw/zinc/56/65/46/1010566546.db2.gz BBIFAQTYKDVDCD-UHFFFAOYSA-N -2 0 404.753 3.729 20 30 HHEDRL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)c1 ZINC000436688596 981513267 /nfs/dbraw/zinc/51/32/67/981513267.db2.gz LWBGMLCBUWWHIZ-GFCCVEGCSA-N -2 0 406.485 3.594 20 30 HHEDRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OCc2cccc(C#N)c2)c1 ZINC000467754973 993000203 /nfs/dbraw/zinc/00/02/03/993000203.db2.gz QMKZOTYTCHGASA-UHFFFAOYSA-N -2 0 412.423 3.538 20 30 HHEDRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCc2cccc(C#N)c2)cc1 ZINC000467755085 993000465 /nfs/dbraw/zinc/00/04/65/993000465.db2.gz QOYZADUKOYBEHI-UHFFFAOYSA-N -2 0 412.423 3.538 20 30 HHEDRL C=CCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC(F)(F)F)c1 ZINC000486093615 998540928 /nfs/dbraw/zinc/54/09/28/998540928.db2.gz UJCQKABNXJPBBG-UHFFFAOYSA-N -2 0 417.361 3.649 20 30 HHEDRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cc(C#N)ccc1OC(F)F ZINC000479331662 999389200 /nfs/dbraw/zinc/38/92/00/999389200.db2.gz AKZUYGOAWYEMHC-UHFFFAOYSA-N -2 0 416.789 3.621 20 30 HHEDRL N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000547871178 1010458269 /nfs/dbraw/zinc/45/82/69/1010458269.db2.gz IBDFLSRXJRPVGW-UHFFFAOYSA-N -2 0 404.753 3.729 20 30 HHEDRL O=C1/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)CSC/C1=C\c1ccc([O-])c([N+](=O)[O-])c1 ZINC000207008762 970010844 /nfs/dbraw/zinc/01/08/44/970010844.db2.gz TTWMGXMXQVKVGM-FUJGBLOQSA-N -2 0 414.395 3.697 20 30 HHEDRL Cc1cc(Oc2ccc(C#N)cc2)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000433493487 979336082 /nfs/dbraw/zinc/33/60/82/979336082.db2.gz ZYIWPTMSCZURRF-UHFFFAOYSA-N -2 0 424.434 3.864 20 30 HHEDRL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)(F)F)c(Cl)c1 ZINC000488280177 999421999 /nfs/dbraw/zinc/42/19/99/999421999.db2.gz QCOFYTVWLZQCKG-UHFFFAOYSA-N -2 0 420.752 3.609 20 30 HHEDRL N#Cc1ccc(C(=O)[O-])nc1/C=C\c1ccc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cc1 ZINC000509692757 1004033527 /nfs/dbraw/zinc/03/35/27/1004033527.db2.gz VJJILJHNADYFKC-OZDSWYPASA-N -2 0 422.400 3.957 20 30 HHEDRL N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000760361249 1072278779 /nfs/dbraw/zinc/27/87/79/1072278779.db2.gz PKTTWLGDKWTGCN-UHFFFAOYSA-N -2 0 419.217 3.534 20 30 HHEDRL O=C([O-])c1ccccc1[N-][NH+]=Cc1ccc(C=NNc2ccccc2C(=O)[O-])cc1 ZINC000254798666 970580652 /nfs/dbraw/zinc/58/06/52/970580652.db2.gz XGCZSTRPELYXMO-UHFFFAOYSA-N -2 0 402.410 3.975 20 30 HHEDRL CC(=Cc1cccc(OCc2ccccc2C(=O)[O-])c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435339045 980795222 /nfs/dbraw/zinc/79/52/22/980795222.db2.gz NIPZHVAXYANNKD-UVTDQMKNSA-N -2 0 401.422 3.788 20 30 HHEDRL N#Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3F)cc2)cc1 ZINC000438790931 983072635 /nfs/dbraw/zinc/07/26/35/983072635.db2.gz AQDPIDYVIQGMCI-UHFFFAOYSA-N -2 0 412.398 3.989 20 30 HHEDRL CCCc1c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cnn1-c1cccc(C#N)c1 ZINC000438835465 983105282 /nfs/dbraw/zinc/10/52/82/983105282.db2.gz KTWMPGGJCIVERV-UHFFFAOYSA-N -2 0 424.482 3.504 20 30 HHEDRL COc1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)c(Cl)cc1C(=O)[O-] ZINC000485275627 997669888 /nfs/dbraw/zinc/66/98/88/997669888.db2.gz NMSHARDAROGOMM-UHFFFAOYSA-N -2 0 408.863 3.649 20 30 HHEDRL N#Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1C(F)(F)F ZINC000489752540 999831245 /nfs/dbraw/zinc/83/12/45/999831245.db2.gz KGUYAWYCGHAHRZ-UHFFFAOYSA-N -2 0 404.753 3.729 20 30 HHEDRL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1SC[C@H](C)C#N ZINC000518646559 1008378040 /nfs/dbraw/zinc/37/80/40/1008378040.db2.gz ULZUJUOXNHYHDM-LLVKDONJSA-N -2 0 408.476 3.885 20 30 HHEDRL