smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C([O-])=C(C#N)c2nc3ccccc3s2)cc1 ZINC000018030265 1013280435 /nfs/dbraw/zinc/28/04/35/1013280435.db2.gz NKLPOZMSDNOLGP-ZDUSSCGKSA-N -1 1 308.362 3.795 20 30 DHEDMM COCCCOc1cccc(/C=C\C(=O)c2ccc([O-])cc2)c1 ZINC000255056614 1013317853 /nfs/dbraw/zinc/31/78/53/1013317853.db2.gz SVASBHHQIMOJBQ-WDZFZDKYSA-N -1 1 312.365 3.704 20 30 DHEDMM C=CCCC1(CNC(=O)c2c(F)ccc([O-])c2F)CCCC1 ZINC000617417819 1013455124 /nfs/dbraw/zinc/45/51/24/1013455124.db2.gz HUZDSJDNHRYDGF-UHFFFAOYSA-N -1 1 309.356 3.927 20 30 DHEDMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])c1cccc(C#N)c1 ZINC000610366643 1013995760 /nfs/dbraw/zinc/99/57/60/1013995760.db2.gz OBTJNTWMGPYNPE-CYBMUJFWSA-N -1 1 316.360 3.908 20 30 DHEDMM N#Cc1ccc(/C=C\c2ccc([O-])c(Br)c2)nc1 ZINC000255289364 1014074304 /nfs/dbraw/zinc/07/43/04/1014074304.db2.gz VWOBAXXOAXWLBX-RJRFIUFISA-N -1 1 301.143 3.592 20 30 DHEDMM Cc1noc(C(F)F)c1C(=O)[N-]c1sc(C)c(C)c1C#N ZINC000610432115 1014092931 /nfs/dbraw/zinc/09/29/31/1014092931.db2.gz GXJRPHSLOZMNAZ-UHFFFAOYSA-N -1 1 311.313 3.723 20 30 DHEDMM CCc1nc(SCC#Cc2ccccc2Cl)[n-]c(=O)c1C ZINC000580659603 1014271539 /nfs/dbraw/zinc/27/15/39/1014271539.db2.gz KJTKJMSZEUBENX-UHFFFAOYSA-N -1 1 318.829 3.850 20 30 DHEDMM CC(C)Oc1cccc([C@@H](C)NC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000190617390 1014300597 /nfs/dbraw/zinc/30/05/97/1014300597.db2.gz NDEHAGJFQRCQMX-CYBMUJFWSA-N -1 1 324.380 3.542 20 30 DHEDMM Cc1ccc(CN(C(=O)c2ccc(C#N)c([O-])c2)C2CC2)cc1C ZINC000442970574 1014783467 /nfs/dbraw/zinc/78/34/67/1014783467.db2.gz WTHFFIQPHFFZHA-UHFFFAOYSA-N -1 1 320.392 3.686 20 30 DHEDMM N#Cc1ccc(C(=O)N2CCC[C@H]2CCC2CCCC2)cc1[O-] ZINC000443066468 1014796816 /nfs/dbraw/zinc/79/68/16/1014796816.db2.gz FFCMDTQWSXXCIF-KRWDZBQOSA-N -1 1 312.413 3.839 20 30 DHEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000443415834 1014905885 /nfs/dbraw/zinc/90/58/85/1014905885.db2.gz GWVKOTYPJOPFKR-UHFFFAOYSA-N -1 1 323.364 3.884 20 30 DHEDMM C#CCN(Cc1csc(C(=O)[O-])c1)[C@@H]1CCc2ccccc21 ZINC001588471167 983505035 /nfs/dbraw/zinc/50/50/35/983505035.db2.gz CFTYGPUUEQZMLB-MRXNPFEDSA-N -1 1 311.406 3.569 20 30 DHEDMM O=C(/C=C\c1ccc([N+](=O)[O-])cc1Cl)c1ccc([O-])cc1 ZINC000588424775 1015209801 /nfs/dbraw/zinc/20/98/01/1015209801.db2.gz SFVVXLSJEZXSSQ-YWEYNIOJSA-N -1 1 303.701 3.850 20 30 DHEDMM CCC[C@H](NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12)c1nn[n-]n1 ZINC000329192704 1015657797 /nfs/dbraw/zinc/65/77/97/1015657797.db2.gz SDUUISYBMZMENW-FQUUOJAGSA-N -1 1 305.426 3.604 20 30 DHEDMM [O-]c1c(F)cc(CN=Nc2ncc(Cl)cc2Cl)cc1F ZINC000749854190 1015768410 /nfs/dbraw/zinc/76/84/10/1015768410.db2.gz HJISVTZCOVMGLR-UHFFFAOYSA-N -1 1 318.110 3.818 20 30 DHEDMM C=CCC1(C(=O)NCc2cccc(Br)c2[O-])CCC1 ZINC000277396198 1016273473 /nfs/dbraw/zinc/27/34/73/1016273473.db2.gz AZMJYBJAYRUIFK-UHFFFAOYSA-N -1 1 324.218 3.517 20 30 DHEDMM CCOc1cc(/C=C2\CCc3cc([O-])ccc3C2=O)ccc1O ZINC000072079828 1016376855 /nfs/dbraw/zinc/37/68/55/1016376855.db2.gz GTXBRLKVMQXJQW-NTEUORMPSA-N -1 1 310.349 3.709 20 30 DHEDMM C=CCOc1ccc(/C=C2\Cc3cc([O-])ccc3C2=O)cc1OC ZINC000588535014 1017060740 /nfs/dbraw/zinc/06/07/40/1017060740.db2.gz BYNKRMHYQAYUBG-OQLLNIDSSA-N -1 1 322.360 3.788 20 30 DHEDMM N#C[C@@H]1CCCCN1C(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148866740 1032449882 /nfs/dbraw/zinc/44/98/82/1032449882.db2.gz PEZUUMRVAORZQN-HNNXBMFYSA-N -1 1 306.365 3.577 20 30 DHEDMM COc1nc2ccccc2cc1/C=C1/Oc2cc([O-])ccc2C1=O ZINC000764107680 1018162339 /nfs/dbraw/zinc/16/23/39/1018162339.db2.gz QJGWBFSOFJBKNI-RQZCQDPDSA-N -1 1 319.316 3.565 20 30 DHEDMM CC(=NNc1nc2ccccc2s1)c1cccc(C(=O)[O-])c1 ZINC000764639265 1018337383 /nfs/dbraw/zinc/33/73/83/1018337383.db2.gz FIDZAADCZVRZNU-UHFFFAOYSA-N -1 1 311.366 3.831 20 30 DHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C ZINC000070431883 1019678062 /nfs/dbraw/zinc/67/80/62/1019678062.db2.gz JRTVFGCWLYMORP-UHFFFAOYSA-N -1 1 320.801 3.629 20 30 DHEDMM O=C1c2ccc([O-])cc2O/C1=C/c1coc(-c2ccccc2)n1 ZINC000731835668 1020157349 /nfs/dbraw/zinc/15/73/49/1020157349.db2.gz MGXZKBMZCJPXHN-LZYBPNLTSA-N -1 1 305.289 3.663 20 30 DHEDMM COCc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647372496 1020217890 /nfs/dbraw/zinc/21/78/90/1020217890.db2.gz NPPJTAXTJSDGQF-CQSZACIVSA-N -1 1 312.394 3.657 20 30 DHEDMM C=CCOc1ccccc1CNC(=O)c1c([O-])cccc1Cl ZINC000732301710 1020222219 /nfs/dbraw/zinc/22/22/19/1020222219.db2.gz HAJIFLJGENZOJS-UHFFFAOYSA-N -1 1 317.772 3.540 20 30 DHEDMM N#CC(=C([O-])c1ccnc(C2CC2)c1)c1nc(C2CC2)cs1 ZINC000647378983 1020248394 /nfs/dbraw/zinc/24/83/94/1020248394.db2.gz RGMHICRLOBYLPQ-ZDUSSCGKSA-N -1 1 309.394 3.783 20 30 DHEDMM Cc1ccc([C@H]2CCN(C(=O)c3ccc(C#N)c([O-])c3)C2)c(C)c1 ZINC000331021850 1020251288 /nfs/dbraw/zinc/25/12/88/1020251288.db2.gz PYQBMUMWTYZNRE-KRWDZBQOSA-N -1 1 320.392 3.510 20 30 DHEDMM CC(C)(C)c1ncc(/C=C\C(=O)c2cc(O)ccc2[O-])s1 ZINC000255756755 1020354012 /nfs/dbraw/zinc/35/40/12/1020354012.db2.gz SWTCRSXCXIULGK-ALCCZGGFSA-N -1 1 303.383 3.748 20 30 DHEDMM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188359418 1020385327 /nfs/dbraw/zinc/38/53/27/1020385327.db2.gz KMCAARHJKYGLLO-CQSZACIVSA-N -1 1 320.392 3.705 20 30 DHEDMM N#Cc1ccc(SCC(=O)c2ccc([O-])c(O)c2)c(Cl)c1 ZINC000163303048 1020592011 /nfs/dbraw/zinc/59/20/11/1020592011.db2.gz VBCIEBYDQCDYFM-UHFFFAOYSA-N -1 1 319.769 3.598 20 30 DHEDMM O=C(/C=C\c1cc(Cl)ccc1[N+](=O)[O-])c1ccc([O-])cc1 ZINC000739425013 1020909138 /nfs/dbraw/zinc/90/91/38/1020909138.db2.gz ASPILDHIJNBGGR-BAQGIRSFSA-N -1 1 303.701 3.850 20 30 DHEDMM O=C1c2cccc(O)c2CC/C1=C/c1ccc([O-])c(Cl)c1 ZINC000742434921 1021123896 /nfs/dbraw/zinc/12/38/96/1021123896.db2.gz NPVZYMOEBJBXQS-FLIBITNWSA-N -1 1 300.741 3.964 20 30 DHEDMM N#CCc1ccc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)cc1 ZINC000619581191 1021797885 /nfs/dbraw/zinc/79/78/85/1021797885.db2.gz ARFOUNQXIPIPNZ-UHFFFAOYSA-N -1 1 320.270 3.729 20 30 DHEDMM COc1cc(/C=C2/Oc3cc([O-])ccc3C2=O)ccc1SC ZINC000746342472 1022020811 /nfs/dbraw/zinc/02/08/11/1022020811.db2.gz VIFHNAGYLLIURW-OVCLIPMQSA-N -1 1 314.362 3.739 20 30 DHEDMM C#Cc1cccc(N(C)C(=O)c2cc3ccccc3cc2[O-])c1 ZINC000103031873 1022188278 /nfs/dbraw/zinc/18/82/78/1022188278.db2.gz DISLQSAXBLYKKH-UHFFFAOYSA-N -1 1 301.345 3.803 20 30 DHEDMM C#Cc1cccc(N(C)C(=O)c2ccc3ccccc3c2[O-])c1 ZINC000103032434 1022188623 /nfs/dbraw/zinc/18/86/23/1022188623.db2.gz YADJJMURQMQYDF-UHFFFAOYSA-N -1 1 301.345 3.803 20 30 DHEDMM COC[C@H](C)Oc1ccc(/C=C2/Cc3cc([O-])ccc3C2=O)cc1 ZINC000853007155 1022195107 /nfs/dbraw/zinc/19/51/07/1022195107.db2.gz QEKWRCKGWOKDTR-LWLPBDFMSA-N -1 1 324.376 3.628 20 30 DHEDMM Cc1ccnc(CCNc2cc(/C=N/[O-])cc(C(F)(F)F)c2)c1 ZINC001169320728 1022349704 /nfs/dbraw/zinc/34/97/04/1022349704.db2.gz VBQRMGXXWCQLHN-LSHDLFTRSA-N -1 1 323.318 3.872 20 30 DHEDMM N#CC[C@@H](CC(=O)Nc1cc([O-])c(F)cc1F)c1ccccc1 ZINC001625896032 1022498362 /nfs/dbraw/zinc/49/83/62/1022498362.db2.gz DYSVVWUYPHECAF-LBPRGKRZSA-N -1 1 316.307 3.696 20 30 DHEDMM Cc1cc(NC(=O)c2cc([O-])cc(C#N)c2)cc(C(F)(F)F)c1 ZINC000617171508 1022876279 /nfs/dbraw/zinc/87/62/79/1022876279.db2.gz LUTCFGRVFLZWLN-UHFFFAOYSA-N -1 1 320.270 3.843 20 30 DHEDMM CCCC(CCC)=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000769811007 1023218540 /nfs/dbraw/zinc/21/85/40/1023218540.db2.gz XGRIWMMXTFUWBO-UHFFFAOYSA-N -1 1 318.425 3.655 20 30 DHEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C/c2cscc2Cl)c1 ZINC000771861086 1023478333 /nfs/dbraw/zinc/47/83/33/1023478333.db2.gz UYDLOMYHBYQMEP-DUXPYHPUSA-N -1 1 308.742 3.701 20 30 DHEDMM N#Cc1ccc(C(=O)N2CCC(C3CCCCC3)CC2)cc1[O-] ZINC000785529915 1023587771 /nfs/dbraw/zinc/58/77/71/1023587771.db2.gz SDYXWGKHIMZCAS-UHFFFAOYSA-N -1 1 312.413 3.696 20 30 DHEDMM [O-]c1c(C=NOC[C@@H]2CCOC2)cc(Cl)c2ccccc12 ZINC000788034897 1023842472 /nfs/dbraw/zinc/84/24/72/1023842472.db2.gz WDLVYFHYMJUUFM-LLVKDONJSA-N -1 1 305.761 3.586 20 30 DHEDMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2ccco2)cc1 ZINC000128570649 1024192816 /nfs/dbraw/zinc/19/28/16/1024192816.db2.gz PNRBUNSRXYXPKB-HNNXBMFYSA-N -1 1 310.353 3.583 20 30 DHEDMM C[C@H](c1ccc(C([O-])=C(C#N)c2ccncn2)cc1)C(F)(F)F ZINC000453751867 1024587239 /nfs/dbraw/zinc/58/72/39/1024587239.db2.gz PQHSBCYPMKHZRD-ZWNOBZJWSA-N -1 1 319.286 3.632 20 30 DHEDMM C[C@@H](c1ccc(C([O-])=C(C#N)c2ccncn2)cc1)C(F)(F)F ZINC000453751863 1024587862 /nfs/dbraw/zinc/58/78/62/1024587862.db2.gz PQHSBCYPMKHZRD-GXFFZTMASA-N -1 1 319.286 3.632 20 30 DHEDMM N#CCOc1cccc(NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000792736222 1024785795 /nfs/dbraw/zinc/78/57/95/1024785795.db2.gz MIGVLWNSUUZAKT-UHFFFAOYSA-N -1 1 317.732 3.592 20 30 DHEDMM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614296717 1026051178 /nfs/dbraw/zinc/05/11/78/1026051178.db2.gz OUEPVNHDGUWKBG-INIZCTEOSA-N -1 1 324.380 3.609 20 30 DHEDMM Cc1cc2sc(NC(=O)c3cc([O-])cc(C#N)c3)nc2c(C)c1 ZINC000614293709 1026053285 /nfs/dbraw/zinc/05/32/85/1026053285.db2.gz WBMOILVEAUPONQ-UHFFFAOYSA-N -1 1 323.377 3.743 20 30 DHEDMM Cc1cc(=O)[n-]c(NN=C(CCC(C)(C)C)c2cscn2)n1 ZINC000807941206 1026155530 /nfs/dbraw/zinc/15/55/30/1026155530.db2.gz SXAFNXBPEBHEAX-UHFFFAOYSA-N -1 1 319.434 3.590 20 30 DHEDMM [O-]c1ccc(CN=Nc2nccnc2C2CCC2)cc1Cl ZINC000807994221 1026171570 /nfs/dbraw/zinc/17/15/70/1026171570.db2.gz NCEMHPLMHYZORR-UHFFFAOYSA-N -1 1 302.765 3.549 20 30 DHEDMM Cc1ccc(-c2n[nH]cc2C=CC(=O)c2ccc([O-])cc2)cc1 ZINC000810192867 1026703275 /nfs/dbraw/zinc/70/32/75/1026703275.db2.gz BDUWWOMVQNDGSQ-DHZHZOJOSA-N -1 1 304.349 3.987 20 30 DHEDMM CC(=NNC[C@@H]1CCSC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000811660694 1027054136 /nfs/dbraw/zinc/05/41/36/1027054136.db2.gz SPXBPBPSKKLDQG-VIFPVBQESA-N -1 1 319.257 3.766 20 30 DHEDMM CC(C)(C)c1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)nc1 ZINC000422117330 1027110302 /nfs/dbraw/zinc/11/03/02/1027110302.db2.gz GCECAEWSKONRBF-CYBMUJFWSA-N -1 1 318.380 3.745 20 30 DHEDMM [O-]c1cccc(C=NNc2nc3cc(F)c(F)cc3[nH]2)c1Cl ZINC000814795077 1028209817 /nfs/dbraw/zinc/20/98/17/1028209817.db2.gz QGEUUJYDLWESSB-UHFFFAOYSA-N -1 1 322.702 3.646 20 30 DHEDMM C#CCCCC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000816591098 1028938425 /nfs/dbraw/zinc/93/84/25/1028938425.db2.gz VAERUVOXRZSHOT-UHFFFAOYSA-N -1 1 316.582 3.550 20 30 DHEDMM Cc1cc(C(=O)[N-]c2sc3c(c2C#N)[C@H](C)C[C@@H](C)C3)on1 ZINC000411019449 1029002318 /nfs/dbraw/zinc/00/23/18/1029002318.db2.gz UVQQXYZPUBTIFJ-RKDXNWHRSA-N -1 1 315.398 3.854 20 30 DHEDMM Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc(C)c1F ZINC000190930661 1029216230 /nfs/dbraw/zinc/21/62/30/1029216230.db2.gz YTHOZIWDVRSEOO-AWEZNQCLSA-N -1 1 319.339 3.876 20 30 DHEDMM C=CCOc1cccc([N-]S(=O)(=O)c2cccc(CC)c2)c1 ZINC000530956155 1030099231 /nfs/dbraw/zinc/09/92/31/1030099231.db2.gz XZJVIKPPERJEQQ-UHFFFAOYSA-N -1 1 317.410 3.615 20 30 DHEDMM CO[C@@H]1Cc2ccc(N[C@H](C)c3cccc(C#N)c3[O-])cc2C1 ZINC000866336750 1030237314 /nfs/dbraw/zinc/23/73/14/1030237314.db2.gz HGGLREFANLOTKM-SJKOYZFVSA-N -1 1 308.381 3.551 20 30 DHEDMM CO[C@H]1Cc2ccc(N[C@@H](C)c3cccc(C#N)c3[O-])cc2C1 ZINC000866336749 1030237442 /nfs/dbraw/zinc/23/74/42/1030237442.db2.gz HGGLREFANLOTKM-SJCJKPOMSA-N -1 1 308.381 3.551 20 30 DHEDMM N#Cc1ccc(C(=O)/C=C\c2c(F)ccc([O-])c2F)c(F)c1 ZINC000794946547 1030431888 /nfs/dbraw/zinc/43/18/88/1030431888.db2.gz WCZDKXIDPWJEPX-HYXAFXHYSA-N -1 1 303.239 3.577 20 30 DHEDMM CC[C@@H](Nc1ccc2c(c1)C[C@@H](OC)C2)c1cccc(C#N)c1[O-] ZINC000926167203 1030640037 /nfs/dbraw/zinc/64/00/37/1030640037.db2.gz RXTJUQMKIUWCER-PKOBYXMFSA-N -1 1 322.408 3.941 20 30 DHEDMM CC[C@H](Nc1ccc2c(c1)C[C@H](OC)C2)c1cccc(C#N)c1[O-] ZINC000926167202 1030640931 /nfs/dbraw/zinc/64/09/31/1030640931.db2.gz RXTJUQMKIUWCER-MJGOQNOKSA-N -1 1 322.408 3.941 20 30 DHEDMM COC(=O)c1csc(C(=O)/C=C/c2ccc([O-])c(Cl)c2)c1 ZINC000794724397 1034417986 /nfs/dbraw/zinc/41/79/86/1034417986.db2.gz QIDJMLFJIGWHLQ-HWKANZROSA-N -1 1 322.769 3.790 20 30 DHEDMM C[C@H](CN(C)C(=O)c1cc([O-])cc(C#N)c1)C1CCCCC1 ZINC000600475372 1034936523 /nfs/dbraw/zinc/93/65/23/1034936523.db2.gz IOUFVBRUHJTPQH-CYBMUJFWSA-N -1 1 300.402 3.552 20 30 DHEDMM N#CC(=C([O-])c1ccccc1[N+](=O)[O-])c1ccc2ccccc2n1 ZINC000042654298 1035273365 /nfs/dbraw/zinc/27/33/65/1035273365.db2.gz NPIOKDRURPYRSS-CQSZACIVSA-N -1 1 317.304 3.633 20 30 DHEDMM N#CCCCOc1cccc(NCc2cc(F)cc(F)c2[O-])c1 ZINC001177395546 1035368581 /nfs/dbraw/zinc/36/85/81/1035368581.db2.gz LEQAADQBIUIAET-UHFFFAOYSA-N -1 1 318.323 3.965 20 30 DHEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccc2ccccc21 ZINC000442900441 1035707780 /nfs/dbraw/zinc/70/77/80/1035707780.db2.gz MTRLOPUKSJZJLK-CYBMUJFWSA-N -1 1 316.360 3.908 20 30 DHEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)ccc1C#N ZINC000386408463 1036016829 /nfs/dbraw/zinc/01/68/29/1036016829.db2.gz JERBUNNBIIIDCN-UHFFFAOYSA-N -1 1 322.336 3.605 20 30 DHEDMM C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(NCCCCC#N)cc1 ZINC001168437183 1036244375 /nfs/dbraw/zinc/24/43/75/1036244375.db2.gz ZOSYOVBRHOIRPQ-NSHDSACASA-N -1 1 313.323 3.532 20 30 DHEDMM COc1ccc(C(C)(C)C)cc1C(=O)Nc1ccc(C#N)cc1[O-] ZINC001195465131 1036262045 /nfs/dbraw/zinc/26/20/45/1036262045.db2.gz DRLPOIDRDIRFNT-UHFFFAOYSA-N -1 1 324.380 3.822 20 30 DHEDMM C=CCC1(C(=O)Nc2cccc([O-])c2Br)CCC1 ZINC000908709022 1036488644 /nfs/dbraw/zinc/48/86/44/1036488644.db2.gz FYQDNWPXHBWGTH-UHFFFAOYSA-N -1 1 310.191 3.840 20 30 DHEDMM N#Cc1ccc(NC(=S)Nc2ccc(Cl)cc2)c([O-])c1 ZINC001197335966 1036760713 /nfs/dbraw/zinc/76/07/13/1036760713.db2.gz BBFIMDOGNZELAI-UHFFFAOYSA-N -1 1 303.774 3.726 20 30 DHEDMM C[C@H](OCc1ccccc1)C(=O)N([O-])Cc1ccccc1Cl ZINC001184283307 1036801503 /nfs/dbraw/zinc/80/15/03/1036801503.db2.gz GAKDIYVRCHSVOH-ZDUSSCGKSA-N -1 1 319.788 3.663 20 30 DHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2C)ccc1Cl ZINC001185485231 1037158179 /nfs/dbraw/zinc/15/81/79/1037158179.db2.gz PZMZAAFACLJCSH-UHFFFAOYSA-N -1 1 320.801 3.629 20 30 DHEDMM O=C1c2ccc([O-])cc2O/C1=C\c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000763175090 1037382409 /nfs/dbraw/zinc/38/24/09/1037382409.db2.gz MASHTQKLLLFNKD-NSIKDUERSA-N -1 1 317.684 3.570 20 30 DHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1C#N ZINC001201288336 1037586388 /nfs/dbraw/zinc/58/63/88/1037586388.db2.gz YKYVMGLOQWAIML-UHFFFAOYSA-N -1 1 314.410 3.791 20 30 DHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3ccccc3c2)cc1C#N ZINC001201316872 1037605899 /nfs/dbraw/zinc/60/58/99/1037605899.db2.gz GBGLWLDCQZBYBW-UHFFFAOYSA-N -1 1 322.389 3.821 20 30 DHEDMM CCCCCCCCS(=O)(=O)[N-]c1cn(C(C)C)cn1 ZINC001188000967 1037777272 /nfs/dbraw/zinc/77/72/72/1037777272.db2.gz AWKOUSGMGSQBNF-UHFFFAOYSA-N -1 1 301.456 3.566 20 30 DHEDMM CCc1sc(C([O-])=C(C#N)c2nc3ccccc3n2C)cc1C ZINC000123450156 1037812933 /nfs/dbraw/zinc/81/29/33/1037812933.db2.gz XCJHAQSROMZNSG-GFCCVEGCSA-N -1 1 323.421 3.996 20 30 DHEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(Cl)c3C)nc1-2 ZINC000491034885 1037892868 /nfs/dbraw/zinc/89/28/68/1037892868.db2.gz LBGQPMQKIOBECY-LBPRGKRZSA-N -1 1 324.771 3.718 20 30 DHEDMM COc1ccc([O-])c(C(=O)/C=C/c2ccc(O[C@H](C)C#N)cc2)c1 ZINC000156687491 1038182661 /nfs/dbraw/zinc/18/26/61/1038182661.db2.gz VRHZTAZVLQOQNG-OMDQHUAHSA-N -1 1 323.348 3.588 20 30 DHEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)ccc1C#N ZINC001190499814 1038328120 /nfs/dbraw/zinc/32/81/20/1038328120.db2.gz JVAMMHBDGPTVAI-UHFFFAOYSA-N -1 1 312.394 3.545 20 30 DHEDMM N#CCCCCCC(=O)Nc1nc(-c2cc3ccccc3o2)n[nH]1 ZINC000588714295 1038329425 /nfs/dbraw/zinc/32/94/25/1038329425.db2.gz GZNGPMDAWMSJDK-UHFFFAOYSA-N -1 1 323.356 3.630 20 30 DHEDMM C=CCC1(S(=O)(=O)Nc2c(Cl)ccc([O-])c2Cl)CC1 ZINC001190806679 1038386294 /nfs/dbraw/zinc/38/62/94/1038386294.db2.gz NGQBNXAPIVZRRR-UHFFFAOYSA-N -1 1 322.213 3.549 20 30 DHEDMM C=CCC1(S(=O)(=O)[N-]c2ccccc2-c2nccs2)CC1 ZINC001190815266 1038390055 /nfs/dbraw/zinc/39/00/55/1038390055.db2.gz IGDPOBSJAMZNQK-UHFFFAOYSA-N -1 1 320.439 3.661 20 30 DHEDMM CCCCCCCCNC(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC001191069728 1038430324 /nfs/dbraw/zinc/43/03/24/1038430324.db2.gz QGZVRDCSKMCBKS-UHFFFAOYSA-N -1 1 322.405 3.661 20 30 DHEDMM CC(C)(C)CN(Cc1ccccc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589178036 1038439023 /nfs/dbraw/zinc/43/90/23/1038439023.db2.gz RCDHVPBVSUSOGQ-UHFFFAOYSA-N -1 1 322.408 3.952 20 30 DHEDMM CC[C@@H](c1ccccc1)N(CC)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589173132 1038439671 /nfs/dbraw/zinc/43/96/71/1038439671.db2.gz FTRFNMSXERYITD-SFHVURJKSA-N -1 1 308.381 3.877 20 30 DHEDMM CCN(C(=O)c1cc([O-])cc(C#N)c1)[C@@H](C)c1ccc(F)cc1 ZINC000589181815 1038444918 /nfs/dbraw/zinc/44/49/18/1038444918.db2.gz CIMRPZFBMRSJKC-LBPRGKRZSA-N -1 1 312.344 3.626 20 30 DHEDMM CCCCCCCCN1CCN(C(=O)c2ccccc2O)CC1 ZINC001191789772 1038547936 /nfs/dbraw/zinc/54/79/36/1038547936.db2.gz MVLBUDWPXMAJNX-UHFFFAOYSA-N -1 1 318.461 3.511 20 30 DHEDMM N#Cc1ccc(NC(=O)c2ccncc2-c2ccccc2)c([O-])c1 ZINC001191899488 1038563966 /nfs/dbraw/zinc/56/39/66/1038563966.db2.gz DDIJNQLHPYPTQD-UHFFFAOYSA-N -1 1 315.332 3.578 20 30 DHEDMM N#Cc1cccc([O-])c1NC(=O)Nc1ccc(OC(F)F)cc1 ZINC001192182748 1038604605 /nfs/dbraw/zinc/60/46/05/1038604605.db2.gz XSGNFKUJXHMYCH-UHFFFAOYSA-N -1 1 319.267 3.509 20 30 DHEDMM CCCCN(C(=O)c1cc([O-])cc(C#N)c1)C1CCCCC1 ZINC000590532169 1038665174 /nfs/dbraw/zinc/66/51/74/1038665174.db2.gz MIBYQBSDDPHQCQ-UHFFFAOYSA-N -1 1 300.402 3.839 20 30 DHEDMM N#Cc1cc(-c2cccc(C3(C#N)CCOCC3)c2)ccc1[O-] ZINC000593950920 1039656038 /nfs/dbraw/zinc/65/60/38/1039656038.db2.gz CHFKHYWGBPHRHF-UHFFFAOYSA-N -1 1 304.349 3.503 20 30 DHEDMM N#CC1(Cc2nc(-c3ccc([O-])c(F)c3)no2)CCCCC1 ZINC000596594542 1040506254 /nfs/dbraw/zinc/50/62/54/1040506254.db2.gz YZEBNHHXOZNYLV-UHFFFAOYSA-N -1 1 301.321 3.598 20 30 DHEDMM CCOc1cc(-c2noc([C@H](C)CC#N)n2)cc(Cl)c1[O-] ZINC000596595201 1040506777 /nfs/dbraw/zinc/50/67/77/1040506777.db2.gz PAQPPTRUZUDZGX-MRVPVSSYSA-N -1 1 307.737 3.511 20 30 DHEDMM COc1cc(/C=C2\CCc3cc([O-])ccc3C2=O)cc(OC)c1 ZINC000060340086 1040576203 /nfs/dbraw/zinc/57/62/03/1040576203.db2.gz UGXAIBVNDKPPGM-VGOFMYFVSA-N -1 1 310.349 3.622 20 30 DHEDMM CCc1c(-c2cccc(C(F)(F)F)c2)[n-]n([C@@H](C)CC#N)c1=O ZINC000601934485 1040829711 /nfs/dbraw/zinc/82/97/11/1040829711.db2.gz BIVGXHFUCCKDJO-GXFFZTMASA-N -1 1 323.318 3.580 20 30 DHEDMM CCCCc1cc(=O)n(-c2ccc(C#N)c(C(F)(F)F)c2)[n-]1 ZINC000601938653 1040838108 /nfs/dbraw/zinc/83/81/08/1040838108.db2.gz HUCATPBUXRYJRZ-UHFFFAOYSA-N -1 1 309.291 3.860 20 30 DHEDMM CC(C)(C)C1CCC(C#N)(NC(=O)c2ccc([O-])cc2F)CC1 ZINC000183910228 335049089 /nfs/dbraw/zinc/04/90/89/335049089.db2.gz SPYQSVXYAYAIOS-UHFFFAOYSA-N -1 1 318.392 3.760 20 30 DHEDMM N#CCc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cc1 ZINC000180360197 333027848 /nfs/dbraw/zinc/02/78/48/333027848.db2.gz BXKBRZPOYFVNKV-UHFFFAOYSA-N -1 1 320.270 3.729 20 30 DHEDMM Cc1ccc(C#N)cc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000390653941 333311797 /nfs/dbraw/zinc/31/17/97/333311797.db2.gz KHILYWSHIVEHRL-UHFFFAOYSA-N -1 1 302.333 3.978 20 30 DHEDMM N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1cccc(C(=O)[O-])c1 ZINC000414634300 334048766 /nfs/dbraw/zinc/04/87/66/334048766.db2.gz BKXJDNJVLBYSKY-MOPGFXCFSA-N -1 1 320.392 3.657 20 30 DHEDMM Cc1c(=O)[n-]c(S[C@@H]2CC[C@H](C#N)C2)nc1-c1ccccc1 ZINC000278667452 334099388 /nfs/dbraw/zinc/09/93/88/334099388.db2.gz XPODNSDIIPEATG-GXTWGEPZSA-N -1 1 311.410 3.942 20 30 DHEDMM C[N@@H+](CCCCC(C)(C)C#N)Cc1nc(=O)c2sccc2[n-]1 ZINC000278934523 334103948 /nfs/dbraw/zinc/10/39/48/334103948.db2.gz XQBGHKQOAIHHDM-UHFFFAOYSA-N -1 1 318.446 3.549 20 30 DHEDMM CCc1ccc(C(C)(C)CNC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000443296965 338448482 /nfs/dbraw/zinc/44/84/82/338448482.db2.gz QWMXNOYZTMEPFI-UHFFFAOYSA-N -1 1 322.408 3.534 20 30 DHEDMM CC(C)[C@@H](c1ccccc1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188395558 334704706 /nfs/dbraw/zinc/70/47/06/334704706.db2.gz FVRIERKACCRQTJ-SFHVURJKSA-N -1 1 308.381 3.733 20 30 DHEDMM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188568280 334863445 /nfs/dbraw/zinc/86/34/45/334863445.db2.gz IGICFXFBQKDSPI-PXAZEXFGSA-N -1 1 324.355 3.626 20 30 DHEDMM C[C@@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)[C@H]1c1cccc(F)c1 ZINC000188607106 334870030 /nfs/dbraw/zinc/87/00/30/334870030.db2.gz FIAVKYDNYQDRRO-KZULUSFZSA-N -1 1 324.355 3.626 20 30 DHEDMM C[C@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)[C@@H]1c1cccc(F)c1 ZINC000188607086 334870064 /nfs/dbraw/zinc/87/00/64/334870064.db2.gz FIAVKYDNYQDRRO-SGTLLEGYSA-N -1 1 324.355 3.626 20 30 DHEDMM CC(=O)c1ccc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)s1 ZINC000345372354 335325721 /nfs/dbraw/zinc/32/57/21/335325721.db2.gz KJJTZMMIIZOSNA-LLVKDONJSA-N -1 1 323.377 3.626 20 30 DHEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(C)c(Cl)c3)nc1-2 ZINC000429597131 338085757 /nfs/dbraw/zinc/08/57/57/338085757.db2.gz JMNUZDKNVUAQEZ-LBPRGKRZSA-N -1 1 324.771 3.718 20 30 DHEDMM CCc1cc(=O)[n-]c(SCc2ccc(C#N)cc2Cl)n1 ZINC000436211846 338262141 /nfs/dbraw/zinc/26/21/41/338262141.db2.gz SKMKAQIVAFSSFF-UHFFFAOYSA-N -1 1 305.790 3.562 20 30 DHEDMM C=CCN(CCc1ccccc1)C(=O)c1ccc(Cl)cc1[O-] ZINC000436718222 338284091 /nfs/dbraw/zinc/28/40/91/338284091.db2.gz JKSIIDUSDSSCHR-UHFFFAOYSA-N -1 1 315.800 3.917 20 30 DHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(C3CCC3)c2)c1 ZINC000461333520 339062020 /nfs/dbraw/zinc/06/20/20/339062020.db2.gz SIXKKGSNMVJBPU-UHFFFAOYSA-N -1 1 312.394 3.627 20 30 DHEDMM CC(C)(C)c1ccc(NC(=O)c2sccc2C#N)c([O-])c1 ZINC000506253568 340190152 /nfs/dbraw/zinc/19/01/52/340190152.db2.gz LKSUXEBDALAIHZ-UHFFFAOYSA-N -1 1 300.383 3.875 20 30 DHEDMM C=CCCC[C@H](C)NC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000545845810 341143138 /nfs/dbraw/zinc/14/31/38/341143138.db2.gz GOUGHLRUKLJYPK-NSHDSACASA-N -1 1 311.809 3.919 20 30 DHEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c(C)c1 ZINC000077687725 341228890 /nfs/dbraw/zinc/22/88/90/341228890.db2.gz MYOQFOYSXCVRRJ-UHFFFAOYSA-N -1 1 320.801 3.629 20 30 DHEDMM C=CCCCCCNC(=O)c1ccc(Br)c([O-])c1 ZINC000565209156 341520122 /nfs/dbraw/zinc/52/01/22/341520122.db2.gz ROGLKIRXNCDQHH-UHFFFAOYSA-N -1 1 312.207 3.631 20 30 DHEDMM C=CCN(Cc1cccs1)Cc1ccc(F)cc1C(=O)[O-] ZINC000736108612 600082866 /nfs/dbraw/zinc/08/28/66/600082866.db2.gz JMIAAQOMSPOJCP-UHFFFAOYSA-N -1 1 305.374 3.774 20 30 DHEDMM C[C@]1(NCc2cccc(C(=O)[O-])c2C#N)CCCc2ccccc21 ZINC000833573965 604615456 /nfs/dbraw/zinc/61/54/56/604615456.db2.gz ZLXQEGAYMSLCEK-FQEVSTJZSA-N -1 1 320.392 3.598 20 30 DHEDMM CC(C)(C(=O)[O-])[C@H]1CCCN(CC#Cc2ccccc2Cl)C1 ZINC000833416847 604950768 /nfs/dbraw/zinc/95/07/68/604950768.db2.gz GYKGNBAWOZPDIV-HNNXBMFYSA-N -1 1 319.832 3.514 20 30 DHEDMM CC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccc(O)cc1 ZINC000833386668 605156163 /nfs/dbraw/zinc/15/61/63/605156163.db2.gz QPBLMRVNCSCOKC-UHFFFAOYSA-N -1 1 304.733 3.580 20 30 DHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cc2ccccc2o1 ZINC000822922553 606388102 /nfs/dbraw/zinc/38/81/02/606388102.db2.gz HIMSQWXCGMXRGM-FNORWQNLSA-N -1 1 322.349 3.571 20 30 DHEDMM CC(C)c1nnc([N-]C(=O)c2coc(C3CCCC3)n2)s1 ZINC000328829358 1013800229 /nfs/dbraw/zinc/80/02/29/1013800229.db2.gz ULSCUVOCMGMNGN-UHFFFAOYSA-N -1 1 306.391 3.943 20 30 DHEDMM CC[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(Cl)c1 ZINC000442861081 1014749528 /nfs/dbraw/zinc/74/95/28/1014749528.db2.gz ZPSLDBSBVOABBM-HNNXBMFYSA-N -1 1 314.772 3.798 20 30 DHEDMM C#C[C@@H](NCc1ccc(-c2ccccc2C(=O)[O-])o1)C(C)(C)C ZINC001588378071 983361074 /nfs/dbraw/zinc/36/10/74/983361074.db2.gz UFELCWUOSVHGQZ-QGZVFWFLSA-N -1 1 311.381 3.782 20 30 DHEDMM CCN(Cc1ccccc1C)Cc1cccc(C(=O)[O-])c1C#N ZINC001596371702 983871889 /nfs/dbraw/zinc/87/18/89/983871889.db2.gz IBPJBNKWEUYQIY-UHFFFAOYSA-N -1 1 308.381 3.587 20 30 DHEDMM O=C(/C=C\c1cc(Cl)ccc1[N+](=O)[O-])c1cc(O)ccc1[O-] ZINC000255322579 1014999205 /nfs/dbraw/zinc/99/92/05/1014999205.db2.gz QVEUQODTAKWTNG-KTAJNNJTSA-N -1 1 319.700 3.556 20 30 DHEDMM CC(C)CCN(CCC#N)C(=O)c1cc2ccccc2cc1[O-] ZINC000094107557 1015020561 /nfs/dbraw/zinc/02/05/61/1015020561.db2.gz SLKQZWOQTNFTOG-UHFFFAOYSA-N -1 1 310.397 3.947 20 30 DHEDMM N#Cc1ccc(C(=O)N2CC[C@H]2c2ccc(Cl)cc2)cc1[O-] ZINC000341786142 1015733699 /nfs/dbraw/zinc/73/36/99/1015733699.db2.gz BGYXVIWXDITTJH-HNNXBMFYSA-N -1 1 312.756 3.504 20 30 DHEDMM COc1ccc([O-])c(C(=O)/C=C\c2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000255420142 1015916820 /nfs/dbraw/zinc/91/68/20/1015916820.db2.gz VRHZTAZVLQOQNG-QGOGUYACSA-N -1 1 323.348 3.588 20 30 DHEDMM O=C1c2ccc([O-])cc2CC1=Cc1c[nH]nc1-c1ccccc1F ZINC000588535087 1017054849 /nfs/dbraw/zinc/05/48/49/1017054849.db2.gz ISJNJDKBZFZPAN-XYOKQWHBSA-N -1 1 320.323 3.744 20 30 DHEDMM O=C1c2ccc([O-])cc2CC1=Cc1c[nH]c(-c2ccccc2)n1 ZINC000588535162 1017056114 /nfs/dbraw/zinc/05/61/14/1017056114.db2.gz QZLZOBOIHZNWKC-NTEUORMPSA-N -1 1 302.333 3.605 20 30 DHEDMM CCSc1cccc(F)c1[N-]C(=O)c1ccc(C#N)c(C)n1 ZINC000362191365 1032266041 /nfs/dbraw/zinc/26/60/41/1032266041.db2.gz VEIJNTZJJHWWCN-UHFFFAOYSA-N -1 1 315.373 3.765 20 30 DHEDMM C[C@H]1CC[C@H](c2ccccc2)N(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000342763368 1017192906 /nfs/dbraw/zinc/19/29/06/1017192906.db2.gz ZJSBIMPSFFWZNG-KBXCAEBGSA-N -1 1 320.392 3.877 20 30 DHEDMM C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1sccc1Cl ZINC001212483136 1019425547 /nfs/dbraw/zinc/42/55/47/1019425547.db2.gz PWJSGHZZFBPKAE-CMPLNLGQSA-N -1 1 319.879 3.815 20 30 DHEDMM Cc1cc([O-])cc2c1C(=O)C(=Cc1c[nH]c(-c3ccccc3)n1)O2 ZINC000742433450 1021123859 /nfs/dbraw/zinc/12/38/59/1021123859.db2.gz YFWBXUFRPLBKOU-PXNMLYILSA-N -1 1 318.332 3.707 20 30 DHEDMM COc1ccc(Cl)cc1/C=C1/Oc2cc([O-])ccc2C1=O ZINC000917143111 1021201325 /nfs/dbraw/zinc/20/13/25/1021201325.db2.gz HFHHNLKOWYOMIM-VIZOYTHASA-N -1 1 302.713 3.670 20 30 DHEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1ccc(O[C@@H](C)C#N)cc1)O2 ZINC000728699828 1021688518 /nfs/dbraw/zinc/68/85/18/1021688518.db2.gz YIHMQKUXORRGJL-OPFCKLNOSA-N -1 1 321.332 3.608 20 30 DHEDMM N#CCc1cccc(S(=O)(=O)[N-]c2cccc3ccccc32)c1 ZINC000619461227 1021761495 /nfs/dbraw/zinc/76/14/95/1021761495.db2.gz YKZMQUNQSZJQMU-UHFFFAOYSA-N -1 1 322.389 3.707 20 30 DHEDMM COc1cccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1 ZINC000177756544 1021918706 /nfs/dbraw/zinc/91/87/06/1021918706.db2.gz MVPGHBZBKGGZMJ-CYBMUJFWSA-N -1 1 300.383 3.765 20 30 DHEDMM O=C1c2ccc([O-])cc2C/C1=C/c1c(C2CC2)nc2sccn12 ZINC000187229926 1021991708 /nfs/dbraw/zinc/99/17/08/1021991708.db2.gz IOHNBIWRJSHAEF-XFXZXTDPSA-N -1 1 322.389 3.801 20 30 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CC(C)c1ccc(CN(C)C(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000589158457 1038440879 /nfs/dbraw/zinc/44/08/79/1038440879.db2.gz VYJNMSILQZUOQY-UHFFFAOYSA-N -1 1 308.381 3.659 20 30 DHEDMM Cc1ccccc1[C@H](NC(=O)c1cc([O-])cc(C#N)c1)C(C)C ZINC000589181854 1038444482 /nfs/dbraw/zinc/44/44/82/1038444482.db2.gz HYKKPIBPNSJEKJ-GOSISDBHSA-N -1 1 308.381 3.699 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)Nc2cnc(-c3ccccc3)s2)c1 ZINC000589196719 1038446651 /nfs/dbraw/zinc/44/66/51/1038446651.db2.gz FICNERXFLXHKEH-UHFFFAOYSA-N -1 1 321.361 3.640 20 30 DHEDMM CC[C@@H](CN(CC)C(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000589207841 1038449119 /nfs/dbraw/zinc/44/91/19/1038449119.db2.gz STWZMPZQSUTGKU-INIZCTEOSA-N -1 1 322.408 3.920 20 30 DHEDMM C[C@@]1(Cc2ccccc2)CCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589207386 1038449466 /nfs/dbraw/zinc/44/94/66/1038449466.db2.gz SFSRMNSWGUBEFF-FQEVSTJZSA-N -1 1 320.392 3.501 20 30 DHEDMM CC(C)(C)c1ccc(C(=O)NC2=CC(=O)CC(C)(C)C2)c([O-])c1 ZINC001192335060 1038630911 /nfs/dbraw/zinc/63/09/11/1038630911.db2.gz CLCYZEOIUIWGHZ-UHFFFAOYSA-N -1 1 315.413 3.693 20 30 DHEDMM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC001192460885 1038664101 /nfs/dbraw/zinc/66/41/01/1038664101.db2.gz WGDUBRDYJWDHQP-ZFWWWQNUSA-N -1 1 319.426 3.846 20 30 DHEDMM C=CCCC(C)(C)[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC001192922962 1038720715 /nfs/dbraw/zinc/72/07/15/1038720715.db2.gz LSKWLLVAHOKLGB-UHFFFAOYSA-N -1 1 311.378 3.595 20 30 DHEDMM N#CC1(CC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CCCCC1 ZINC000596790664 1040568724 /nfs/dbraw/zinc/56/87/24/1040568724.db2.gz OQOXLZSZLWTBGW-UHFFFAOYSA-N -1 1 324.384 3.585 20 30 DHEDMM Cc1c2ccccc2oc1[C@@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000190627834 334963707 /nfs/dbraw/zinc/96/37/07/334963707.db2.gz HDNWXCLGTJFESA-GFCCVEGCSA-N -1 1 320.348 3.810 20 30 DHEDMM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000016130580 182034995 /nfs/dbraw/zinc/03/49/95/182034995.db2.gz FZOOYNCGODAWGT-UHFFFAOYSA-N -1 1 314.410 3.791 20 30 DHEDMM C=C[C@](C)(CCOC)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000288994127 335059275 /nfs/dbraw/zinc/05/92/75/335059275.db2.gz GLBFKMQITIPQCO-OAHLLOKOSA-N -1 1 308.765 3.576 20 30 DHEDMM C#CCC(C)(C)c1nc(-c2cc(Cl)c([O-])c(OCC)c2)no1 ZINC000289248175 335061274 /nfs/dbraw/zinc/06/12/74/335061274.db2.gz VMUKEMQDRSHIIQ-UHFFFAOYSA-N -1 1 320.776 3.795 20 30 DHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc2ccccc21 ZINC000320581431 335087250 /nfs/dbraw/zinc/08/72/50/335087250.db2.gz OHQAJOIVULCZER-UHFFFAOYSA-N -1 1 322.389 3.821 20 30 DHEDMM CC(C)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427110476 332168611 /nfs/dbraw/zinc/16/86/11/332168611.db2.gz VKHKVAMYPXSKTD-UHFFFAOYSA-N -1 1 318.373 3.622 20 30 DHEDMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000318690942 333201988 /nfs/dbraw/zinc/20/19/88/333201988.db2.gz PDVZZTPMVOGJGK-UHFFFAOYSA-N -1 1 314.410 3.538 20 30 DHEDMM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1cccc(C(=O)[O-])c1 ZINC000414634304 334048742 /nfs/dbraw/zinc/04/87/42/334048742.db2.gz BKXJDNJVLBYSKY-OALUTQOASA-N -1 1 320.392 3.657 20 30 DHEDMM CC(C)C[C@@H]1CCCCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000442973182 338440695 /nfs/dbraw/zinc/44/06/95/338440695.db2.gz NVVHQFYYXNMHQR-INIZCTEOSA-N -1 1 300.402 3.695 20 30 DHEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000340949241 334396002 /nfs/dbraw/zinc/39/60/02/334396002.db2.gz ICEDCLZGIOQILX-UHFFFAOYSA-N -1 1 322.336 3.605 20 30 DHEDMM CC1(C)CN(C(=O)c2ccc(C#N)c([O-])c2)C[C@@H]1c1ccccc1 ZINC000331271100 334847809 /nfs/dbraw/zinc/84/78/09/334847809.db2.gz LCYDQGFWAKAGES-QGZVFWFLSA-N -1 1 320.392 3.530 20 30 DHEDMM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188568256 334863459 /nfs/dbraw/zinc/86/34/59/334863459.db2.gz IGICFXFBQKDSPI-YVEFUNNKSA-N -1 1 324.355 3.626 20 30 DHEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cc2ccccc2o1 ZINC000189900533 334915827 /nfs/dbraw/zinc/91/58/27/334915827.db2.gz JYVSTSRSBXXQMZ-NSHDSACASA-N -1 1 306.321 3.501 20 30 DHEDMM N#CCCSc1ccccc1[N-]C(=O)c1ncc(F)cc1F ZINC000192290317 336027458 /nfs/dbraw/zinc/02/74/58/336027458.db2.gz CRRMZVDKXVHPBD-UHFFFAOYSA-N -1 1 319.336 3.618 20 30 DHEDMM N#CC1(c2ccc(-c3nc(-c4ccc([O-])cc4F)no3)cc2)CC1 ZINC000445460325 338019544 /nfs/dbraw/zinc/01/95/44/338019544.db2.gz QLKORSUJQMVLRW-UHFFFAOYSA-N -1 1 321.311 3.803 20 30 DHEDMM CC(=Cc1cc(Cl)ccc1Cl)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435335875 338237273 /nfs/dbraw/zinc/23/72/73/338237273.db2.gz LHHASQBHCMDQLN-VMPITWQZSA-N -1 1 320.179 3.817 20 30 DHEDMM C=CCN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1[O-] ZINC000436724522 338284313 /nfs/dbraw/zinc/28/43/13/338284313.db2.gz ZIJQHEWOHHFOIY-UHFFFAOYSA-N -1 1 301.773 3.874 20 30 DHEDMM C=C(C)COc1cccc(NC(=O)c2ccc(OC)cc2[O-])c1 ZINC000436740601 338284952 /nfs/dbraw/zinc/28/49/52/338284952.db2.gz QWQGBQJISZMCIL-UHFFFAOYSA-N -1 1 313.353 3.608 20 30 DHEDMM Cc1oc(C#N)cc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436872309 338290934 /nfs/dbraw/zinc/29/09/34/338290934.db2.gz MBGTUTUUEOWUJW-UHFFFAOYSA-N -1 1 301.689 3.536 20 30 DHEDMM CC(C)(C)c1ccc(CCNC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000442860137 338435528 /nfs/dbraw/zinc/43/55/28/338435528.db2.gz KPUYIWMARXEZFG-UHFFFAOYSA-N -1 1 322.408 3.534 20 30 DHEDMM N#Cc1cc(NC(=O)c2cc([O-])c3ccccc3c2)ccc1F ZINC000472019698 339359421 /nfs/dbraw/zinc/35/94/21/339359421.db2.gz BKZLAOPLFIHSQD-UHFFFAOYSA-N -1 1 306.296 3.808 20 30 DHEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1C ZINC000511158827 340322801 /nfs/dbraw/zinc/32/28/01/340322801.db2.gz XSRUDEKCHWMDTH-UHFFFAOYSA-N -1 1 320.801 3.629 20 30 DHEDMM CC(C)C[C@H](C/N=C/c1cc(Cl)cc(Cl)c1O)C(=O)[O-] ZINC000736404210 600816467 /nfs/dbraw/zinc/81/64/67/600816467.db2.gz VECVDKBCPADVDB-OMEHRSSBSA-N -1 1 318.200 3.865 20 30 DHEDMM C[C@H]1CC(=Cc2ccc(-c3nn[n-]n3)s2)C(=O)c2ccccc21 ZINC000824858260 607681437 /nfs/dbraw/zinc/68/14/37/607681437.db2.gz IOUBBKLXFPOKBD-SPQRFVMMSA-N -1 1 322.393 3.702 20 30 DHEDMM O=C(C=Cc1ccc(Cl)s1)c1ccc(-c2nnn[n-]2)s1 ZINC000826401453 608093278 /nfs/dbraw/zinc/09/32/78/608093278.db2.gz ZIFNKQYCBMONQP-IWQZZHSRSA-N -1 1 322.802 3.539 20 30 DHEDMM O=C(C=Cc1ccc(Cl)s1)c1ccc(-c2nn[n-]n2)s1 ZINC000826401453 608093279 /nfs/dbraw/zinc/09/32/79/608093279.db2.gz ZIFNKQYCBMONQP-IWQZZHSRSA-N -1 1 322.802 3.539 20 30 DHEDMM O=C(/C=C\c1cc(O)ccc1Br)c1ccc([O-])cc1 ZINC000255154838 1013963424 /nfs/dbraw/zinc/96/34/24/1013963424.db2.gz OGIXESNLCMCXOZ-BAQGIRSFSA-N -1 1 319.154 3.756 20 30 DHEDMM O=C(/C=C\c1ccc(OC(F)F)cc1)c1cc(O)ccc1[O-] ZINC000255188617 1014077736 /nfs/dbraw/zinc/07/77/36/1014077736.db2.gz WYSBCKJVXNWEGT-CLTKARDFSA-N -1 1 306.264 3.595 20 30 DHEDMM C[C@@H](c1ccccc1Cl)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000190156109 1014241676 /nfs/dbraw/zinc/24/16/76/1014241676.db2.gz KQSMXYGMHMVONI-NSHDSACASA-N -1 1 314.772 3.750 20 30 DHEDMM N#Cc1ccc(C(=O)N2CCC[C@H]2CC2CCCCC2)cc1[O-] ZINC000442947168 1014776382 /nfs/dbraw/zinc/77/63/82/1014776382.db2.gz RZNVWNYXIFKDJR-KRWDZBQOSA-N -1 1 312.413 3.839 20 30 DHEDMM C#C[C@H](NCc1ccc(-c2ccccc2C(=O)[O-])o1)C(C)(C)C ZINC001588378070 983360693 /nfs/dbraw/zinc/36/06/93/983360693.db2.gz UFELCWUOSVHGQZ-KRWDZBQOSA-N -1 1 311.381 3.782 20 30 DHEDMM C#CCN(Cc1csc(C(=O)[O-])c1)[C@H]1CCc2ccccc21 ZINC001588471166 983505081 /nfs/dbraw/zinc/50/50/81/983505081.db2.gz CFTYGPUUEQZMLB-INIZCTEOSA-N -1 1 311.406 3.569 20 30 DHEDMM O=C(/C=C/c1ccc([O-])c(F)c1)c1c(Cl)nc2sccn21 ZINC000121271431 1016082767 /nfs/dbraw/zinc/08/27/67/1016082767.db2.gz VZRFKKQECGQVQT-DUXPYHPUSA-N -1 1 322.748 3.790 20 30 DHEDMM N#CCc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c1 ZINC001148800200 1032445802 /nfs/dbraw/zinc/44/58/02/1032445802.db2.gz ALYZFCXHIUJBRT-UHFFFAOYSA-N -1 1 320.270 3.729 20 30 DHEDMM N#Cc1cccc(Br)c1Nc1cccc([O-])c1F ZINC001212551413 1018436668 /nfs/dbraw/zinc/43/66/68/1018436668.db2.gz QARDMFPYMHDUPY-UHFFFAOYSA-N -1 1 307.122 3.909 20 30 DHEDMM COc1cc(/C=C\C(=O)c2ccccc2C#N)cc(Cl)c1[O-] ZINC000588618222 1019930852 /nfs/dbraw/zinc/93/08/52/1019930852.db2.gz IIWFSNKYJUJKFH-SREVYHEPSA-N -1 1 313.740 3.822 20 30 DHEDMM COc1ccc(/C=C/C(=O)c2ccc([O-])cc2)c(Cl)c1OC ZINC000730433766 1019992245 /nfs/dbraw/zinc/99/22/45/1019992245.db2.gz ARDZFHOBDJJKFL-WEVVVXLNSA-N -1 1 318.756 3.959 20 30 DHEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c(C)c1 ZINC000055547115 1020450809 /nfs/dbraw/zinc/45/08/09/1020450809.db2.gz CPDOOFUFKIBQMT-UHFFFAOYSA-N -1 1 320.801 3.629 20 30 DHEDMM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cc(C)co1 ZINC000892495041 1020553298 /nfs/dbraw/zinc/55/32/98/1020553298.db2.gz LCXKKNZXRIKPAP-OAHLLOKOSA-N -1 1 324.380 3.674 20 30 DHEDMM C=CCCCCCN(C)Cn1[n-]c(-c2ccccn2)nc1=S ZINC000739885838 1020919296 /nfs/dbraw/zinc/91/92/96/1020919296.db2.gz RVKLBYJWZMBPGT-UHFFFAOYSA-N -1 1 317.462 3.638 20 30 DHEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)c1 ZINC000742026883 1021089034 /nfs/dbraw/zinc/08/90/34/1021089034.db2.gz JWLZHLJCLKIEBM-UHFFFAOYSA-N -1 1 313.422 3.766 20 30 DHEDMM O=C(/C=C/c1ccc([O-])c(Cl)c1)c1ccc2c(c1)COC2 ZINC000742435901 1021124959 /nfs/dbraw/zinc/12/49/59/1021124959.db2.gz BIEUWURHQIMOCT-ORCRQEGFSA-N -1 1 300.741 3.972 20 30 DHEDMM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1csc([N+](=O)[O-])c1 ZINC000917143131 1021200349 /nfs/dbraw/zinc/20/03/49/1021200349.db2.gz HNTWGOLAMSYEOY-CPLNQPMESA-N -1 1 319.313 3.884 20 30 DHEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccccc1C(C)C ZINC000189040144 1021323348 /nfs/dbraw/zinc/32/33/48/1021323348.db2.gz UCJVEOYNSQOQIJ-UHFFFAOYSA-N -1 1 314.410 3.791 20 30 DHEDMM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000007333196 1021456666 /nfs/dbraw/zinc/45/66/66/1021456666.db2.gz HYJBPIKKMONSEN-KWINOFQJSA-N -1 1 313.284 3.823 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(-c3ccco3)cc2F)c1 ZINC000618886378 1021562793 /nfs/dbraw/zinc/56/27/93/1021562793.db2.gz SOPPYJQWVLBVAR-UHFFFAOYSA-N -1 1 322.295 3.915 20 30 DHEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1cc(Cl)sc1Cl ZINC000744516030 1021567428 /nfs/dbraw/zinc/56/74/28/1021567428.db2.gz GSRRPXXZUOOTHR-UHFFFAOYSA-N -1 1 317.201 3.695 20 30 DHEDMM N#Cc1ccc(CNC(=O)c2ccc(Cl)cc2[O-])cc1Cl ZINC000619764072 1021876101 /nfs/dbraw/zinc/87/61/01/1021876101.db2.gz WHHLYCSJSAQGQT-UHFFFAOYSA-N -1 1 321.163 3.501 20 30 DHEDMM O=C1c2ccc([O-])cc2O/C1=C\c1ccccc1OCC1CC1 ZINC000920387670 1022114987 /nfs/dbraw/zinc/11/49/87/1022114987.db2.gz PUSGNNLNQXIVTH-NVMNQCDNSA-N -1 1 308.333 3.797 20 30 DHEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000416281617 1022230137 /nfs/dbraw/zinc/23/01/37/1022230137.db2.gz AJCHRORKOXQCDQ-HUUCEWRRSA-N -1 1 300.402 3.551 20 30 DHEDMM CC(C)(C)[C@](C)(C#N)[N-]C(=O)C(F)(F)c1cccc(Cl)c1 ZINC000766578838 1022233260 /nfs/dbraw/zinc/23/32/60/1022233260.db2.gz AHYLIASMGYHJFY-AWEZNQCLSA-N -1 1 314.763 3.876 20 30 DHEDMM N#Cc1ccc(C(=O)N2CCCC[C@@H]2Cc2ccccc2)cc1[O-] ZINC000615473965 1022482366 /nfs/dbraw/zinc/48/23/66/1022482366.db2.gz GZNNYQFAPXANLE-GOSISDBHSA-N -1 1 320.392 3.501 20 30 DHEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1cc2ccccc2s1 ZINC000615494725 1022495480 /nfs/dbraw/zinc/49/54/80/1022495480.db2.gz AWBZKUYLSRMICA-NSHDSACASA-N -1 1 322.389 3.970 20 30 DHEDMM CC(N=Nc1ccc2ccccc2n1)c1ccc(C(=O)[O-])c(F)c1 ZINC000776758312 1022541067 /nfs/dbraw/zinc/54/10/67/1022541067.db2.gz LCYBRKCEFQRJBR-UHFFFAOYSA-N -1 1 323.327 3.908 20 30 DHEDMM CC(N=Nc1nncc2ccccc21)c1ccc([O-])c(Cl)c1 ZINC000768763654 1023015121 /nfs/dbraw/zinc/01/51/21/1023015121.db2.gz KGFJFOSKYLNELR-UHFFFAOYSA-N -1 1 312.760 3.825 20 30 DHEDMM C=CC[C@H]1CCCN(C(=O)c2cc(Cl)c([O-])c(OCC)c2)C1 ZINC000617788370 1023058368 /nfs/dbraw/zinc/05/83/68/1023058368.db2.gz HIDJFYFDRXVQGM-LBPRGKRZSA-N -1 1 323.820 3.873 20 30 DHEDMM CC(=NN=c1nc[nH]c2sc(C)c(C)c21)c1sccc1[O-] ZINC000769776127 1023204061 /nfs/dbraw/zinc/20/40/61/1023204061.db2.gz FVKMHTLCEOSZON-UHFFFAOYSA-N -1 1 318.427 3.911 20 30 DHEDMM CC(CCC(C)C)=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000769812387 1023219110 /nfs/dbraw/zinc/21/91/10/1023219110.db2.gz NQJFEGFSEVYCOH-UHFFFAOYSA-N -1 1 318.425 3.511 20 30 DHEDMM C=CCOc1ccc(/C=C/C(=O)c2ccc([O-])cc2)cc1OC ZINC000006581029 1024049495 /nfs/dbraw/zinc/04/94/95/1024049495.db2.gz SUHBVLFURHEGCL-ONNFQVAWSA-N -1 1 310.349 3.862 20 30 DHEDMM O=C1c2ccc([O-])cc2O/C1=C/c1ccnc(Cl)c1Cl ZINC000791435327 1024496101 /nfs/dbraw/zinc/49/61/01/1024496101.db2.gz SHQHMEODHKIGRT-VZUCSPMQSA-N -1 1 308.120 3.710 20 30 DHEDMM N#CC(=C([O-])c1cccc(Cl)n1)c1nccc2ccccc21 ZINC000792091473 1024628858 /nfs/dbraw/zinc/62/88/58/1024628858.db2.gz LFUHRWKGKDWAAH-CYBMUJFWSA-N -1 1 307.740 3.773 20 30 DHEDMM Cc1csc(C(C#N)=C([O-])c2cccc(C(F)(F)F)c2)n1 ZINC000041520387 1025408647 /nfs/dbraw/zinc/40/86/47/1025408647.db2.gz MKJUDNSZUQDBCJ-NSHDSACASA-N -1 1 310.300 3.960 20 30 DHEDMM CN(Cc1cccc2ccccc21)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614297231 1026047933 /nfs/dbraw/zinc/04/79/33/1026047933.db2.gz YYXAONXQUMOCHG-UHFFFAOYSA-N -1 1 316.360 3.689 20 30 DHEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1cccc2ccccc21 ZINC000614293519 1026053096 /nfs/dbraw/zinc/05/30/96/1026053096.db2.gz XYQDIYNNOQKNBX-ZDUSSCGKSA-N -1 1 316.360 3.908 20 30 DHEDMM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614295593 1026056962 /nfs/dbraw/zinc/05/69/62/1026056962.db2.gz SYMUTFBYDRGLGW-LBPRGKRZSA-N -1 1 320.348 3.843 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c1 ZINC000614365731 1026254623 /nfs/dbraw/zinc/25/46/23/1026254623.db2.gz BNONIWFTZUATJJ-UHFFFAOYSA-N -1 1 324.233 3.674 20 30 DHEDMM CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614367161 1026258692 /nfs/dbraw/zinc/25/86/92/1026258692.db2.gz WUJNPNWAWXDIBN-CQSZACIVSA-N -1 1 308.381 3.705 20 30 DHEDMM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614367095 1026259533 /nfs/dbraw/zinc/25/95/33/1026259533.db2.gz UOFUVOXNIZMVIG-CQSZACIVSA-N -1 1 320.392 3.705 20 30 DHEDMM Cc1ccc(-c2n[nH]cc2C=C2Oc3cc([O-])ccc3C2=O)cc1 ZINC000810237389 1026725416 /nfs/dbraw/zinc/72/54/16/1026725416.db2.gz HNDDIJDDIKHCSN-IUXPMGMMSA-N -1 1 318.332 3.707 20 30 DHEDMM COc1ccc(C(=O)/C=C/c2ccc([O-])c(Cl)c2)cc1O ZINC000811697884 1027071683 /nfs/dbraw/zinc/07/16/83/1027071683.db2.gz HTKKJVHLCJFGQH-GORDUTHDSA-N -1 1 304.729 3.656 20 30 DHEDMM CC(C)OCCON=Cc1cc(Cl)c2ccccc2c1[O-] ZINC000812237828 1027218433 /nfs/dbraw/zinc/21/84/33/1027218433.db2.gz FKMDFUJFCXMQNQ-UHFFFAOYSA-N -1 1 307.777 3.974 20 30 DHEDMM COc1cccc2cc(C(C)N=Nc3ccccc3C(=O)[O-])oc21 ZINC000812445230 1027282949 /nfs/dbraw/zinc/28/29/49/1027282949.db2.gz NKEWGAYMBVZQRQ-UHFFFAOYSA-N -1 1 324.336 3.976 20 30 DHEDMM C=CCOc1ccc(C[N@@H+]2CCC[C@H](CC(=O)[O-])C2)cc1Cl ZINC000575233167 1027467500 /nfs/dbraw/zinc/46/75/00/1027467500.db2.gz ZQESRVABKVELCY-CYBMUJFWSA-N -1 1 323.820 3.592 20 30 DHEDMM N#CC(=C([O-])C=Cc1ccco1)c1cc(C(F)(F)F)ccn1 ZINC000813215354 1027565955 /nfs/dbraw/zinc/56/59/55/1027565955.db2.gz XJRRINRRPOFFFV-AAOUONPWSA-N -1 1 306.243 3.583 20 30 DHEDMM N#Cc1ccc([O-])c(-c2ccc(OC[C@@H]3CCCCO3)cc2)c1 ZINC000600778996 1027826964 /nfs/dbraw/zinc/82/69/64/1027826964.db2.gz LXKLYUAAMVXJHO-KRWDZBQOSA-N -1 1 309.365 3.879 20 30 DHEDMM Cc1nc(SCc2cc(F)ccc2C#N)[n-]c(=O)c1C1CC1 ZINC000601087905 1027979575 /nfs/dbraw/zinc/97/95/75/1027979575.db2.gz LIJFCCQNKRFHMO-UHFFFAOYSA-N -1 1 315.373 3.671 20 30 DHEDMM Cc1cc(C#N)ccc1CSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000601086750 1027981419 /nfs/dbraw/zinc/98/14/19/1027981419.db2.gz BWBKGLZHGVREJR-UHFFFAOYSA-N -1 1 311.410 3.840 20 30 DHEDMM N#C[C@@H]1CC=C(Nc2ccc(F)c(Br)c2[O-])CC1 ZINC001212865386 1028015877 /nfs/dbraw/zinc/01/58/77/1028015877.db2.gz HPLSQGBLTUNUAW-MRVPVSSYSA-N -1 1 311.154 3.913 20 30 DHEDMM CCC(N=Nc1ccccc1C(=O)[O-])c1ccc(F)cc1F ZINC000814767961 1028197992 /nfs/dbraw/zinc/19/79/92/1028197992.db2.gz BIRXOKNRVMPZCB-UHFFFAOYSA-N -1 1 304.296 3.889 20 30 DHEDMM Cc1ccc([N+](=O)[O-])cc1NN=Cc1cccc([O-])c1Cl ZINC000814823418 1028226814 /nfs/dbraw/zinc/22/68/14/1028226814.db2.gz XOOQGEUCUQJQPR-UHFFFAOYSA-N -1 1 305.721 3.708 20 30 DHEDMM O=C([O-])c1cccc(C=NNc2ncccc2Cl)c1Cl ZINC000814810474 1028233865 /nfs/dbraw/zinc/23/38/65/1028233865.db2.gz NYXJPRNWBVYBQN-UHFFFAOYSA-N -1 1 310.140 3.533 20 30 DHEDMM [O-]c1cccc(C=NNc2cc(F)c(F)c(F)c2)c1Cl ZINC000814864038 1028249295 /nfs/dbraw/zinc/24/92/95/1028249295.db2.gz MZJPFRNSXKPQJG-UHFFFAOYSA-N -1 1 300.667 3.909 20 30 DHEDMM [O-]c1cccc(CN=Nc2nc(C(F)(F)F)cs2)c1Cl ZINC000814867617 1028253253 /nfs/dbraw/zinc/25/32/53/1028253253.db2.gz LUBAPJQJZTWOCY-UHFFFAOYSA-N -1 1 321.711 3.967 20 30 DHEDMM C=CCC(F)(F)C(=O)[N-][C@H]1COc2c1ccc(Cl)c2Cl ZINC000815711552 1028610785 /nfs/dbraw/zinc/61/07/85/1028610785.db2.gz TTYCBIRFGCRTGC-VIFPVBQESA-N -1 1 322.138 3.755 20 30 DHEDMM C=CCC(F)(F)C(=O)[N-][C@H](CCc1ccccc1)C(F)(F)F ZINC000815989424 1028686625 /nfs/dbraw/zinc/68/66/25/1028686625.db2.gz VDAQWTSSUOKDQR-GFCCVEGCSA-N -1 1 321.289 3.878 20 30 DHEDMM Cc1cc(C(C#N)=C([O-])c2cccc(C(F)F)c2F)nc(C)n1 ZINC000528919561 1028928950 /nfs/dbraw/zinc/92/89/50/1028928950.db2.gz RINZQQWHIXAWMY-GFCCVEGCSA-N -1 1 319.286 3.660 20 30 DHEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccn(C)c3)n2)cc1 ZINC000357801834 1030197391 /nfs/dbraw/zinc/19/73/91/1030197391.db2.gz KKBSGDAPGJNXSZ-HNNXBMFYSA-N -1 1 321.405 3.947 20 30 DHEDMM C[C@H](Nc1ccc2c(c1)OCCCO2)c1cccc(C#N)c1[O-] ZINC000866316386 1030225431 /nfs/dbraw/zinc/22/54/31/1030225431.db2.gz RANLFHDKTPULEY-LBPRGKRZSA-N -1 1 310.353 3.598 20 30 DHEDMM C[C@H](Nc1ccc(O[C@@H]2CCOC2)cc1)c1cccc(C#N)c1[O-] ZINC000866322465 1030230985 /nfs/dbraw/zinc/23/09/85/1030230985.db2.gz VWLPDFKFGWRESF-SUMWQHHRSA-N -1 1 324.380 3.605 20 30 DHEDMM CCN(C)C(=O)c1cccc(N[C@@H](C)c2cccc(C#N)c2[O-])c1 ZINC000866355951 1030250752 /nfs/dbraw/zinc/25/07/52/1030250752.db2.gz HKJGVOYCKZCKGH-ZDUSSCGKSA-N -1 1 323.396 3.529 20 30 DHEDMM C[C@H](Nc1ccc([C@@H]2CCOC2)cc1)c1cccc(C#N)c1[O-] ZINC000866363730 1030256487 /nfs/dbraw/zinc/25/64/87/1030256487.db2.gz MWHIONLYIYPJHT-XJKSGUPXSA-N -1 1 308.381 3.941 20 30 DHEDMM C[C@@H](Nc1ccc([C@H]2CCOC2)cc1)c1cccc(C#N)c1[O-] ZINC000866363728 1030257291 /nfs/dbraw/zinc/25/72/91/1030257291.db2.gz MWHIONLYIYPJHT-CJNGLKHVSA-N -1 1 308.381 3.941 20 30 DHEDMM Cc1cc(C)c(C(=O)[O-])cc1/C=C/C(=O)c1ccc(O)c(F)c1 ZINC000794935714 1030387952 /nfs/dbraw/zinc/38/79/52/1030387952.db2.gz SOLGTGOXRNRMPG-HWKANZROSA-N -1 1 314.312 3.742 20 30 DHEDMM CC[C@H](Nc1ccc(OC2COC2)cc1)c1cccc(C#N)c1[O-] ZINC000926231233 1030666550 /nfs/dbraw/zinc/66/65/50/1030666550.db2.gz BOSBIMHGWANEGZ-SFHVURJKSA-N -1 1 324.380 3.605 20 30 DHEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)ccc1C1CC1 ZINC000359067639 1030760674 /nfs/dbraw/zinc/76/06/74/1030760674.db2.gz KANWKQSBCFSYTE-UHFFFAOYSA-N -1 1 312.394 3.545 20 30 DHEDMM N#C[C@@H](OC(=O)Cc1ccc([O-])c(Cl)c1)C1CCCCC1 ZINC000869736739 1030848203 /nfs/dbraw/zinc/84/82/03/1030848203.db2.gz OQYKQWQVXPUSAO-OAHLLOKOSA-N -1 1 307.777 3.604 20 30 DHEDMM [O-]/N=C(\O[C@@H]1CCC(F)(F)C1)c1ccccc1Br ZINC001223885890 1031108233 /nfs/dbraw/zinc/10/82/33/1031108233.db2.gz PRPHPWLQDQKYKK-QOYDFYKXSA-N -1 1 320.133 3.789 20 30 DHEDMM COCc1cccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1 ZINC000080453627 1031366906 /nfs/dbraw/zinc/36/69/06/1031366906.db2.gz WASZKSFMDCNRQK-AWEZNQCLSA-N -1 1 314.410 3.903 20 30 DHEDMM Cc1cccc(/C=C/C(=O)c2cc(O)ccc2[O-])c1OC(F)F ZINC000777920175 1031884463 /nfs/dbraw/zinc/88/44/63/1031884463.db2.gz XQKVIXPGRHOZGV-FNORWQNLSA-N -1 1 320.291 3.904 20 30 DHEDMM Cc1cc(C(C#N)=C([O-])c2cc3c(s2)CCCC3)nc(C)n1 ZINC000041574914 1033438898 /nfs/dbraw/zinc/43/88/98/1033438898.db2.gz CAKRRQFSNHXQII-ZDUSSCGKSA-N -1 1 311.410 3.524 20 30 DHEDMM [O-]c1c(Br)cc(O)cc1C=NOC1CCCCC1 ZINC000777458258 1034752653 /nfs/dbraw/zinc/75/26/53/1034752653.db2.gz AUFXSJMDWWAOFF-UHFFFAOYSA-N -1 1 314.179 3.544 20 30 DHEDMM C#CCN(C(=O)c1ccc([O-])c(F)c1)[C@@H]1CCCc2ccccc21 ZINC001178954603 1035456866 /nfs/dbraw/zinc/45/68/66/1035456866.db2.gz NUNXCICHSLTAQD-GOSISDBHSA-N -1 1 323.367 3.684 20 30 DHEDMM N#Cc1ccc(NC(=O)CCCc2ccc(Cl)cc2)c([O-])c1 ZINC001181876241 1036031116 /nfs/dbraw/zinc/03/11/16/1036031116.db2.gz VWWIKCHMCSSLBU-UHFFFAOYSA-N -1 1 314.772 3.879 20 30 DHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)N[C@@H]3CC34CCC4)c2)c1 ZINC001196330000 1036506722 /nfs/dbraw/zinc/50/67/22/1036506722.db2.gz KCNGBYBEQLDSOV-GOSISDBHSA-N -1 1 318.376 3.603 20 30 DHEDMM N#Cc1c(F)ccc(/C=C/C(=O)c2ccc([O-])cc2)c1Cl ZINC000761474671 1036752073 /nfs/dbraw/zinc/75/20/73/1036752073.db2.gz MOZTWKBRWKIVFC-XBXARRHUSA-N -1 1 301.704 3.952 20 30 DHEDMM N#Cc1cccc(NC(=S)Nc2c([O-])cccc2Cl)c1 ZINC001197714851 1036857446 /nfs/dbraw/zinc/85/74/46/1036857446.db2.gz NVNWMWWEFARMEF-UHFFFAOYSA-N -1 1 303.774 3.726 20 30 DHEDMM O=C1c2ccc([O-])cc2C/C1=C\c1ccc(Cl)nc1Cl ZINC000761486122 1037096208 /nfs/dbraw/zinc/09/62/08/1037096208.db2.gz NEFKRQBLUSMVTR-BJMVGYQFSA-N -1 1 306.148 3.916 20 30 DHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)ccc1Cl ZINC001185521057 1037168159 /nfs/dbraw/zinc/16/81/59/1037168159.db2.gz LQQHPGDDBWYPAI-UHFFFAOYSA-N -1 1 320.801 3.515 20 30 DHEDMM Cc1cc(C#N)cc(Cl)c1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201222812 1037582248 /nfs/dbraw/zinc/58/22/48/1037582248.db2.gz SIEHCTQUGSVKSN-UHFFFAOYSA-N -1 1 303.705 3.878 20 30 DHEDMM CCCCc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000029389401 1037720846 /nfs/dbraw/zinc/72/08/46/1037720846.db2.gz XDUPPEWANBYEFW-UHFFFAOYSA-N -1 1 312.295 3.802 20 30 DHEDMM CC(=NNc1cccc([N+](=O)[O-])c1)c1cc(Cl)ccc1[O-] ZINC000916269061 1037725065 /nfs/dbraw/zinc/72/50/65/1037725065.db2.gz PCRPTDNJPCTOIA-UHFFFAOYSA-N -1 1 305.721 3.790 20 30 DHEDMM COc1ccc(Cl)cc1NC(=O)Nc1scc([O-])c1C#N ZINC001187903361 1037747692 /nfs/dbraw/zinc/74/76/92/1037747692.db2.gz BHXWZVVBMXDPOF-UHFFFAOYSA-N -1 1 323.761 3.631 20 30 DHEDMM N#Cc1ccc(NC(=O)c2ccccc2-c2cccnc2)c([O-])c1 ZINC001188040991 1037781696 /nfs/dbraw/zinc/78/16/96/1037781696.db2.gz FPLWLGDCVJZGIN-UHFFFAOYSA-N -1 1 315.332 3.578 20 30 DHEDMM N#CCc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])c1 ZINC001188681781 1037957528 /nfs/dbraw/zinc/95/75/28/1037957528.db2.gz BXPDSSVQTPMASS-UHFFFAOYSA-N -1 1 320.270 3.729 20 30 DHEDMM N#Cc1cc(NC(=O)Nc2ccccc2C(F)(F)F)ccc1[O-] ZINC001202164130 1038078838 /nfs/dbraw/zinc/07/88/38/1038078838.db2.gz GWDDIVPAOJBTEN-UHFFFAOYSA-N -1 1 321.258 3.927 20 30 DHEDMM Cc1ccc([O-])c(C(=O)/C=C/c2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000156697918 1038197404 /nfs/dbraw/zinc/19/74/04/1038197404.db2.gz ROWZLLWAKZOVIZ-XYYIANASSA-N -1 1 307.349 3.888 20 30 DHEDMM C=CC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC001190273320 1038285393 /nfs/dbraw/zinc/28/53/93/1038285393.db2.gz CUXUKGXAKLJPAR-UHFFFAOYSA-N -1 1 314.259 3.545 20 30 DHEDMM CCCCOc1ccccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589169882 1038437255 /nfs/dbraw/zinc/43/72/55/1038437255.db2.gz QGKRGFKBZYYKLN-UHFFFAOYSA-N -1 1 310.353 3.695 20 30 DHEDMM Cc1ccc([C@H]2CCCN2C(=O)c2cc([O-])cc(C#N)c2)cc1C ZINC000589170864 1038437559 /nfs/dbraw/zinc/43/75/59/1038437559.db2.gz CORHPEMSJNCGJX-LJQANCHMSA-N -1 1 320.392 3.858 20 30 DHEDMM C#Cc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001191116096 1038443223 /nfs/dbraw/zinc/44/32/23/1038443223.db2.gz BCXBCJRSQDRSNT-UHFFFAOYSA-N -1 1 305.255 3.645 20 30 DHEDMM CC[C@@H](C)n1ncc(NC(=O)c2cc([O-])cc(C#N)c2)c1C1CC1 ZINC000589195493 1038447172 /nfs/dbraw/zinc/44/71/72/1038447172.db2.gz AASQTRGZLANTOO-LLVKDONJSA-N -1 1 324.384 3.561 20 30 DHEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(CCCC)cc2)c1 ZINC001191249141 1038476990 /nfs/dbraw/zinc/47/69/90/1038476990.db2.gz OVAGQQALVDPJNO-UHFFFAOYSA-N -1 1 313.422 3.811 20 30 DHEDMM CC(C)CC1(C)CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000589528512 1038499894 /nfs/dbraw/zinc/49/98/94/1038499894.db2.gz HVYMNUFWRJAKBL-UHFFFAOYSA-N -1 1 300.402 3.552 20 30 DHEDMM CC1(C)CN(C(=O)c2cc([O-])cc(C#N)c2)[C@H]1c1cccs1 ZINC000589527228 1038499913 /nfs/dbraw/zinc/49/99/13/1038499913.db2.gz NVWZOWOMOJUYOL-HNNXBMFYSA-N -1 1 312.394 3.549 20 30 DHEDMM N#Cc1cc(F)c(C(=O)Nc2cc3ccccc3cc2[O-])c(F)c1 ZINC001191936119 1038565909 /nfs/dbraw/zinc/56/59/09/1038565909.db2.gz CZIYGIQQMKNRHU-UHFFFAOYSA-N -1 1 324.286 3.948 20 30 DHEDMM COc1ccc(C#N)cc1NC(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192322879 1038629476 /nfs/dbraw/zinc/62/94/76/1038629476.db2.gz QUPSIBHYMGVNNC-UHFFFAOYSA-N -1 1 324.380 3.822 20 30 DHEDMM C[C@H](C#N)c1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC001192538781 1038678940 /nfs/dbraw/zinc/67/89/40/1038678940.db2.gz AQVQQQAHZOXQMK-SECBINFHSA-N -1 1 302.280 3.550 20 30 DHEDMM COc1ccc(/C=C2\CCc3cc([O-])ccc3C2=O)cc1OC ZINC000060340074 1040577577 /nfs/dbraw/zinc/57/75/77/1040577577.db2.gz RTRMKHRPMLQMQX-NTEUORMPSA-N -1 1 310.349 3.622 20 30 DHEDMM CCc1c(-c2cccc(C(F)(F)F)c2)[n-]n([C@H](C)CC#N)c1=O ZINC000601934487 1040827375 /nfs/dbraw/zinc/82/73/75/1040827375.db2.gz BIVGXHFUCCKDJO-ZWNOBZJWSA-N -1 1 323.318 3.580 20 30 DHEDMM Cc1cc(F)ccc1[C@H]1CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000456838652 1040940096 /nfs/dbraw/zinc/94/00/96/1040940096.db2.gz JHWQSCGNDNGMAM-QGZVFWFLSA-N -1 1 324.355 3.689 20 30 DHEDMM C[C@H]1N(C(=O)c2cc([O-])cc(C#N)c2)c2ccccc2C1(C)C ZINC000598278477 1041149536 /nfs/dbraw/zinc/14/95/36/1041149536.db2.gz ZOPJFGBGOGTFNI-GFCCVEGCSA-N -1 1 306.365 3.590 20 30 DHEDMM C=CC(C)(C)CCNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000528075156 435019567 /nfs/dbraw/zinc/01/95/67/435019567.db2.gz QTSQNKNMRJYAMC-UHFFFAOYSA-N -1 1 312.417 3.875 20 30 DHEDMM CC(C)(NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Cl)cc1 ZINC000188094740 333029749 /nfs/dbraw/zinc/02/97/49/333029749.db2.gz ULZXHPIBAPOSNF-UHFFFAOYSA-N -1 1 314.772 3.582 20 30 DHEDMM N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1cccc(C(=O)[O-])c1 ZINC000414634306 334048746 /nfs/dbraw/zinc/04/87/46/334048746.db2.gz BKXJDNJVLBYSKY-RBUKOAKNSA-N -1 1 320.392 3.657 20 30 DHEDMM N#CC(=C([O-])c1cc[nH]c1C1CC1)c1nc2ccccc2s1 ZINC000340363315 334175512 /nfs/dbraw/zinc/17/55/12/334175512.db2.gz ZRGJOAHXZAYBIR-LBPRGKRZSA-N -1 1 307.378 3.992 20 30 DHEDMM CC(C)CC[C@H]1CCCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000443069659 338443074 /nfs/dbraw/zinc/44/30/74/338443074.db2.gz KFXWKQORCUXOCK-MRXNPFEDSA-N -1 1 300.402 3.695 20 30 DHEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)[C@@H](C)C1CCCCC1 ZINC000443277166 338448453 /nfs/dbraw/zinc/44/84/53/338448453.db2.gz BNMMKCDNRZIPRS-OLZOCXBDSA-N -1 1 300.402 3.599 20 30 DHEDMM C=CCC[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000188953886 334879278 /nfs/dbraw/zinc/87/92/78/334879278.db2.gz URNNROYPQPZAIK-QGZVFWFLSA-N -1 1 306.365 3.701 20 30 DHEDMM CC(=Cc1ccc(Cl)c(Cl)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000193612871 337078582 /nfs/dbraw/zinc/07/85/82/337078582.db2.gz KDHDWQNEXVAVRH-YVMONPNESA-N -1 1 320.179 3.817 20 30 DHEDMM N#CC(=C([O-])c1ccnc2ccccc21)c1cnc2ccccc2n1 ZINC000190913803 337291347 /nfs/dbraw/zinc/29/13/47/337291347.db2.gz DZOYLWPGLFVUJC-HNNXBMFYSA-N -1 1 324.343 3.668 20 30 DHEDMM CCCc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc1 ZINC000431196498 338125644 /nfs/dbraw/zinc/12/56/44/338125644.db2.gz LKZFOUJXEWDBIS-UHFFFAOYSA-N -1 1 314.410 3.620 20 30 DHEDMM C=CCN(CC(F)(F)F)C(=O)c1cc2ccccc2cc1[O-] ZINC000436536980 338275923 /nfs/dbraw/zinc/27/59/23/338275923.db2.gz WVWIABOOPGOOBZ-UHFFFAOYSA-N -1 1 309.287 3.736 20 30 DHEDMM N#CCCC[C@H](NC(=O)c1c([O-])cccc1F)c1ccccc1 ZINC000436929004 338293965 /nfs/dbraw/zinc/29/39/65/338293965.db2.gz UFPXOVFDOOWRTR-HNNXBMFYSA-N -1 1 312.344 3.696 20 30 DHEDMM CCOc1cc(/C=C\c2ncccc2C#N)cc(Cl)c1[O-] ZINC000436930505 338294135 /nfs/dbraw/zinc/29/41/35/338294135.db2.gz GUJZJOFKIOFZPE-WAYWQWQTSA-N -1 1 300.745 3.881 20 30 DHEDMM CCc1c(C)sc([N-]C(=O)c2cc(C3CC3)no2)c1C#N ZINC000440479451 338388188 /nfs/dbraw/zinc/38/81/88/338388188.db2.gz RQVIETIMWTYPAO-UHFFFAOYSA-N -1 1 301.371 3.608 20 30 DHEDMM Cc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1Cl ZINC000475803307 339462188 /nfs/dbraw/zinc/46/21/88/339462188.db2.gz JALGQYOIXPGJFA-UHFFFAOYSA-N -1 1 320.801 3.515 20 30 DHEDMM Cc1nc(C2CC2)oc1C([O-])=C(C#N)c1nc2cccc(C)c2[nH]1 ZINC000546157474 341154910 /nfs/dbraw/zinc/15/49/10/341154910.db2.gz ZBBRUGSYOKROOK-LBPRGKRZSA-N -1 1 320.352 3.535 20 30 DHEDMM N#Cc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1Cl ZINC000547978793 341241797 /nfs/dbraw/zinc/24/17/97/341241797.db2.gz HRHQLLPZOGCRFA-UHFFFAOYSA-N -1 1 307.136 3.823 20 30 DHEDMM CCc1nc(SCc2ccc(Cl)cc2C#N)[n-]c(=O)c1C ZINC000576599742 341854674 /nfs/dbraw/zinc/85/46/74/341854674.db2.gz NGZFKYPWPLABGZ-UHFFFAOYSA-N -1 1 319.817 3.870 20 30 DHEDMM CC(C)C[C@@H](C/N=C/c1cc(Cl)cc(Cl)c1O)C(=O)[O-] ZINC000736404209 600816521 /nfs/dbraw/zinc/81/65/21/600816521.db2.gz VECVDKBCPADVDB-MJRCGYGRSA-N -1 1 318.200 3.865 20 30 DHEDMM O=C([O-])c1ccc(/C=C/C(=O)c2ccc3ccccc3c2O)o1 ZINC000833312778 601826771 /nfs/dbraw/zinc/82/67/71/601826771.db2.gz XPCXAUZBJVYBDQ-RMKNXTFCSA-N -1 1 308.289 3.733 20 30 DHEDMM C[C@H](c1ccc(C(=O)[O-])o1)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000833548044 605058295 /nfs/dbraw/zinc/05/82/95/605058295.db2.gz ZTIFEAFJRQREFS-CYBMUJFWSA-N -1 1 322.364 3.700 20 30 DHEDMM N#CCCCOc1cccc(CN=Nc2ccccc2C(=O)[O-])c1 ZINC000726737043 605099976 /nfs/dbraw/zinc/09/99/76/605099976.db2.gz FQWOTODTEQXJPO-UHFFFAOYSA-N -1 1 323.352 3.513 20 30 DHEDMM CCCCCCCCCCN=Nc1oc(C)nc1-c1nn[n-]n1 ZINC000825271155 607886883 /nfs/dbraw/zinc/88/68/83/607886883.db2.gz IAMQTZNTDZBQQY-UHFFFAOYSA-N -1 1 319.413 3.702 20 30 DHEDMM N#CC1(CC(=O)NCc2cccc(Cl)c2[O-])CCCCC1 ZINC000890761339 1013333859 /nfs/dbraw/zinc/33/38/59/1013333859.db2.gz OWLSRXGARNICLX-UHFFFAOYSA-N -1 1 306.793 3.526 20 30 DHEDMM N#Cc1c(F)cccc1NCc1cccc(Br)c1[O-] ZINC000048795661 1013482537 /nfs/dbraw/zinc/48/25/37/1013482537.db2.gz QDAKQTBGLMKNHR-UHFFFAOYSA-N -1 1 321.149 3.778 20 30 DHEDMM N#Cc1ccc(Nc2cccc([O-])c2Cl)c(Br)n1 ZINC001210844355 1014070424 /nfs/dbraw/zinc/07/04/24/1014070424.db2.gz DVUZKRVDRXFEKE-UHFFFAOYSA-N -1 1 324.565 3.818 20 30 DHEDMM N#Cc1ccc(C(=O)NC2CCC(c3ccccc3)CC2)cc1[O-] ZINC000442861880 1014748963 /nfs/dbraw/zinc/74/89/63/1014748963.db2.gz ZCJBGKHZDSHZDT-UHFFFAOYSA-N -1 1 320.392 3.720 20 30 DHEDMM CN(Cc1cccc(C(=O)[O-])c1C#N)[C@@H]1CCCc2ccccc21 ZINC001598525288 992711948 /nfs/dbraw/zinc/71/19/48/992711948.db2.gz FMVOWVHLOVXGRM-LJQANCHMSA-N -1 1 320.392 3.766 20 30 DHEDMM CC(C)[C@H]1N(C(=O)c2ccc(C#N)c([O-])c2)CC12CCCCC2 ZINC000458182961 1015816660 /nfs/dbraw/zinc/81/66/60/1015816660.db2.gz IPRIQBLQPWKHSJ-QGZVFWFLSA-N -1 1 312.413 3.695 20 30 DHEDMM CC(C)C[C@@H](C#N)NC(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148871668 1032449706 /nfs/dbraw/zinc/44/97/06/1032449706.db2.gz BWTSRSPVUHFLAZ-HNNXBMFYSA-N -1 1 308.381 3.727 20 30 DHEDMM N#Cc1ccc(Br)cc1Nc1cccc([O-])c1F ZINC001212549586 1018429588 /nfs/dbraw/zinc/42/95/88/1018429588.db2.gz UNSZGQCKQHSVFH-UHFFFAOYSA-N -1 1 307.122 3.909 20 30 DHEDMM N#CC(=C([O-])C=CC1CCCCC1)c1cnc2ccccc2n1 ZINC000588587834 1018964973 /nfs/dbraw/zinc/96/49/73/1018964973.db2.gz SVQMWBWIHPVYFZ-WOLCWHLNSA-N -1 1 305.381 3.943 20 30 DHEDMM COc1ccc2c(c1)C(=O)/C(=C\c1ccc([O-])c(Cl)c1)C2 ZINC000176938886 1020000239 /nfs/dbraw/zinc/00/02/39/1020000239.db2.gz WMVIEJPKPSTLAZ-SDQBBNPISA-N -1 1 300.741 3.877 20 30 DHEDMM O=C1c2cc(F)ccc2OC/C1=C\c1ccc([O-])c(Cl)c1 ZINC000731565468 1020119839 /nfs/dbraw/zinc/11/98/39/1020119839.db2.gz QETXFNLLJREFBM-BJMVGYQFSA-N -1 1 304.704 3.843 20 30 DHEDMM Cn1cc(Cl)cc1C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000647374130 1020222164 /nfs/dbraw/zinc/22/21/64/1020222164.db2.gz WVYHOPZBNYDGQN-JTQLQIEISA-N -1 1 305.790 3.502 20 30 DHEDMM O=C1c2ccc([O-])cc2O/C1=C\c1ccc(Br)s1 ZINC000733805532 1020446023 /nfs/dbraw/zinc/44/60/23/1020446023.db2.gz KORULWWVKXFSRI-WDZFZDKYSA-N -1 1 323.167 3.832 20 30 DHEDMM N#Cc1ccc2[nH]c(-c3ccc([O-])c(Br)c3)nc2c1 ZINC000123222188 1020593236 /nfs/dbraw/zinc/59/32/36/1020593236.db2.gz LBPLDSLJCDVEAR-UHFFFAOYSA-N -1 1 314.142 3.570 20 30 DHEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])C=CC2CCOCC2)s1 ZINC000797566581 1021465550 /nfs/dbraw/zinc/46/55/50/1021465550.db2.gz NRVZZPKZWXZMJV-MUBLQREKSA-N -1 1 318.442 3.600 20 30 DHEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc3[nH]cnc3c2)n1 ZINC000892801982 1021628365 /nfs/dbraw/zinc/62/83/65/1021628365.db2.gz KFOYZCPQRJWTSX-LLVKDONJSA-N -1 1 310.382 3.633 20 30 DHEDMM COC[C@@H](C)Oc1ccc(/C=C2\Cc3cc([O-])ccc3C2=O)cc1 ZINC000853007154 1022195550 /nfs/dbraw/zinc/19/55/50/1022195550.db2.gz QEKWRCKGWOKDTR-BPKVKKHESA-N -1 1 324.376 3.628 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)c1 ZINC000617171478 1022876308 /nfs/dbraw/zinc/87/63/08/1022876308.db2.gz ACEDDVREPYYWME-SJLPKXTDSA-N -1 1 320.392 3.720 20 30 DHEDMM CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000768299481 1022941955 /nfs/dbraw/zinc/94/19/55/1022941955.db2.gz ITKHTPRLKBOOKR-CQSZACIVSA-N -1 1 312.797 3.955 20 30 DHEDMM C=CC[C@H]1CCCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000617787611 1023057153 /nfs/dbraw/zinc/05/71/53/1023057153.db2.gz SLJUPXULKZIJRX-NSHDSACASA-N -1 1 324.218 3.583 20 30 DHEDMM CC(=O)c1cc(Cl)cc(CN2CCCC(C)(C)[C@@H]2C#N)c1[O-] ZINC000769893548 1023241667 /nfs/dbraw/zinc/24/16/67/1023241667.db2.gz PUXITSWTEOYCFV-HNNXBMFYSA-N -1 1 320.820 3.762 20 30 DHEDMM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1ccc(F)c(C#N)c1 ZINC000770570510 1023324813 /nfs/dbraw/zinc/32/48/13/1023324813.db2.gz DEDKVNFHGJQXSY-JBBGTMGVSA-N -1 1 311.287 3.925 20 30 DHEDMM N#Cc1ccc(C(=O)/C=C/c2ccc([O-])c(F)c2)c(Cl)c1 ZINC000788358044 1023875721 /nfs/dbraw/zinc/87/57/21/1023875721.db2.gz CYWLJBTZZUOOLU-GORDUTHDSA-N -1 1 301.704 3.952 20 30 DHEDMM Cc1ccc2nc(/C=C3\CCc4cc([O-])ccc4C3=O)cn2c1 ZINC000789127371 1024003882 /nfs/dbraw/zinc/00/38/82/1024003882.db2.gz JHUYLHSOBTUPTI-RIYZIHGNSA-N -1 1 304.349 3.561 20 30 DHEDMM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000213219742 1024150793 /nfs/dbraw/zinc/15/07/93/1024150793.db2.gz HYJBPIKKMONSEN-RILYUOAZSA-N -1 1 313.284 3.823 20 30 DHEDMM O=[N+]([O-])c1c(F)cccc1N=NCc1ccc([O-])c(Cl)c1 ZINC000790311147 1024265736 /nfs/dbraw/zinc/26/57/36/1024265736.db2.gz XTCZSKMREOSQGO-UHFFFAOYSA-N -1 1 309.684 3.539 20 30 DHEDMM C#CCOc1ccccc1NCc1c([O-])ccc(Cl)c1F ZINC000790992350 1024413917 /nfs/dbraw/zinc/41/39/17/1024413917.db2.gz XTGWDZLOIPBVFN-UHFFFAOYSA-N -1 1 305.736 3.809 20 30 DHEDMM C[C@@H](c1ccc(C([O-])=C(C#N)c2ccncn2)cc1)C(F)(F)F ZINC000453751861 1024586023 /nfs/dbraw/zinc/58/60/23/1024586023.db2.gz PQHSBCYPMKHZRD-GWCFXTLKSA-N -1 1 319.286 3.632 20 30 DHEDMM N#CC(=C([O-])c1cccc(Cl)n1)c1nccc2ccccc21 ZINC000792091545 1024629529 /nfs/dbraw/zinc/62/95/29/1024629529.db2.gz LFUHRWKGKDWAAH-ZDUSSCGKSA-N -1 1 307.740 3.773 20 30 DHEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1cncc3ccccc13)O2 ZINC000772805415 1024711836 /nfs/dbraw/zinc/71/18/36/1024711836.db2.gz GZCVYDYBUJMRKA-IDUWFGFVSA-N -1 1 303.317 3.865 20 30 DHEDMM N#CC(=C([O-])c1ccccc1Oc1ccccc1)c1ccncn1 ZINC000354473911 1025440928 /nfs/dbraw/zinc/44/09/28/1025440928.db2.gz QMUMDBOAGVGGPY-INIZCTEOSA-N -1 1 315.332 3.759 20 30 DHEDMM C#CCN(Cc1ccccc1)C(=O)c1cc2ccccc2cc1[O-] ZINC000804834525 1025490957 /nfs/dbraw/zinc/49/09/57/1025490957.db2.gz JPRGTTAFNIXHEB-UHFFFAOYSA-N -1 1 315.372 3.821 20 30 DHEDMM CCc1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)sc1C ZINC000046706398 1025591512 /nfs/dbraw/zinc/59/15/12/1025591512.db2.gz KDKPIFOISORIIQ-LBPRGKRZSA-N -1 1 309.394 3.985 20 30 DHEDMM Cc1nn(C)c2sc(C(=O)/C=C\c3ccc([O-])c(F)c3)cc12 ZINC000806579018 1025912839 /nfs/dbraw/zinc/91/28/39/1025912839.db2.gz RVWZYUUHHVOPPP-XQRVVYSFSA-N -1 1 316.357 3.684 20 30 DHEDMM CCCCCCCCc1nnc([N-]C(=O)c2ocnc2C)s1 ZINC000747367804 1026008637 /nfs/dbraw/zinc/00/86/37/1026008637.db2.gz GZDUUAJFNIAGDK-UHFFFAOYSA-N -1 1 322.434 3.990 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H]2CC2CCCCC2)c1 ZINC000614297872 1026052512 /nfs/dbraw/zinc/05/25/12/1026052512.db2.gz FDMLBZPAKCEHST-KRWDZBQOSA-N -1 1 312.413 3.839 20 30 DHEDMM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614361667 1026255670 /nfs/dbraw/zinc/25/56/70/1026255670.db2.gz LXLLRPGQASBWLL-HOTGVXAUSA-N -1 1 300.402 3.599 20 30 DHEDMM C[C@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)CC[C@H]1c1ccccc1 ZINC000614370120 1026257879 /nfs/dbraw/zinc/25/78/79/1026257879.db2.gz ILKCSERJUBKDBU-IFXJQAMLSA-N -1 1 320.392 3.530 20 30 DHEDMM C#C[C@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000812749627 1027388107 /nfs/dbraw/zinc/38/81/07/1027388107.db2.gz WLUAARKIABTZRX-HNNXBMFYSA-N -1 1 321.273 3.547 20 30 DHEDMM CCCc1nc(C)c(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)o1 ZINC000562383285 1027399961 /nfs/dbraw/zinc/39/99/61/1027399961.db2.gz YYNYXRLGQOYMCG-GFCCVEGCSA-N -1 1 322.368 3.610 20 30 DHEDMM C#CCO[N-]C(=O)C1(Cc2cccc(Cl)c2)CCCCC1 ZINC000812784081 1027404646 /nfs/dbraw/zinc/40/46/46/1027404646.db2.gz UGCXFFWPUNFXOA-UHFFFAOYSA-N -1 1 305.805 3.514 20 30 DHEDMM C#C[C@H](NCc1cc(Cl)cc(F)c1[O-])c1ccc(F)cc1 ZINC000812793462 1027418364 /nfs/dbraw/zinc/41/83/64/1027418364.db2.gz VFIMIEUVQNJLSM-HNNXBMFYSA-N -1 1 307.727 3.788 20 30 DHEDMM C#CCOc1cc(F)ccc1NCc1cccc([O-])c1Cl ZINC000815126882 1028370720 /nfs/dbraw/zinc/37/07/20/1028370720.db2.gz ICJAMDHKUSHODB-UHFFFAOYSA-N -1 1 305.736 3.809 20 30 DHEDMM O=C1c2ccc([O-])cc2CC/C1=C/c1nccn1-c1ccccc1 ZINC000191289909 1029354821 /nfs/dbraw/zinc/35/48/21/1029354821.db2.gz DNCLHVMHPOCGHO-SQFISAMPSA-N -1 1 316.360 3.790 20 30 DHEDMM C[C@H](Nc1ccc(O[C@H]2CCOC2)cc1)c1cccc(C#N)c1[O-] ZINC000866322463 1030229943 /nfs/dbraw/zinc/22/99/43/1030229943.db2.gz VWLPDFKFGWRESF-GUYCJALGSA-N -1 1 324.380 3.605 20 30 DHEDMM N#Cc1ccc(C(=O)/C=C\c2c(F)ccc([O-])c2F)cc1F ZINC000794947336 1030432733 /nfs/dbraw/zinc/43/27/33/1030432733.db2.gz XCKKGKFCLLJKDO-HYXAFXHYSA-N -1 1 303.239 3.577 20 30 DHEDMM Cc1ccc([O-])c(C(=O)/C=C\c2c(Cl)nc3ccccn32)c1 ZINC000757467722 1031112223 /nfs/dbraw/zinc/11/22/23/1031112223.db2.gz ISAXLUUOQVFOQB-VURMDHGXSA-N -1 1 312.756 3.898 20 30 DHEDMM CC(C)(C)OCc1ccccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000928389091 1031301942 /nfs/dbraw/zinc/30/19/42/1031301942.db2.gz RFMOSFGIMJFDQW-UHFFFAOYSA-N -1 1 324.380 3.831 20 30 DHEDMM O=C1c2ccc([O-])cc2O/C1=C/c1cscc1Br ZINC000794699854 1034391957 /nfs/dbraw/zinc/39/19/57/1034391957.db2.gz TYRIKAJEVHNLGO-KGVSQERTSA-N -1 1 323.167 3.832 20 30 DHEDMM COC(=O)c1csc(C(=O)/C=C\c2ccc([O-])c(Cl)c2)c1 ZINC000794724398 1034418239 /nfs/dbraw/zinc/41/82/39/1034418239.db2.gz QIDJMLFJIGWHLQ-HYXAFXHYSA-N -1 1 322.769 3.790 20 30 DHEDMM CCCCCCCNC(=S)Nc1cc(F)cc(F)c1[O-] ZINC001249645231 1035317636 /nfs/dbraw/zinc/31/76/36/1035317636.db2.gz SMJUTZWGGYITAQ-UHFFFAOYSA-N -1 1 302.390 3.927 20 30 DHEDMM C[C@H](C#N)S(=O)(=O)[N-]c1ccc(-c2ccccc2)cc1Cl ZINC001193161789 1035579883 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1 322.802 3.539 20 30 DHEDMM O=C(C=Cc1cscc1Cl)c1ccc(-c2nn[n-]n2)s1 ZINC000826403462 608093270 /nfs/dbraw/zinc/09/32/70/608093270.db2.gz SRAKAJHXKACZIU-UPHRSURJSA-N -1 1 322.802 3.539 20 30 DHEDMM C[C@H](N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccc(C#N)cc1F ZINC001589124203 956156532 /nfs/dbraw/zinc/15/65/32/956156532.db2.gz SKEAWWAANNYLRU-LSKLOWJMSA-N -1 1 324.355 3.661 20 30 DHEDMM C=C(Cl)CN[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001573344277 962914754 /nfs/dbraw/zinc/91/47/54/962914754.db2.gz RNJNSYRXARMNHV-LBPRGKRZSA-N -1 1 308.592 3.635 20 30 DHEDMM CC[C@H](CC#N)N=c1nc(-c2cc(Cl)cc(Cl)c2)[n-]o1 ZINC000579994639 1013850379 /nfs/dbraw/zinc/85/03/79/1013850379.db2.gz DVIBFBFUYWWRKT-LLVKDONJSA-N -1 1 311.172 3.569 20 30 DHEDMM CC[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Cl)cc1 ZINC000442893953 1014765892 /nfs/dbraw/zinc/76/58/92/1014765892.db2.gz HEDITELJKMWZAB-OAHLLOKOSA-N -1 1 314.772 3.798 20 30 DHEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc2c(c1)CCCC2 ZINC000442900244 1014768227 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C[C@H]1C[C@@H](c2ccccc2)N(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC001594270571 999045684 /nfs/dbraw/zinc/04/56/84/999045684.db2.gz WOWLUKTXCVWLCC-LIRRHRJNSA-N -1 1 320.392 3.840 20 30 DHEDMM O=C(/C=C\c1ccc([O-])c(F)c1)c1cnn(Cc2ccccc2)c1 ZINC000255500720 1016648767 /nfs/dbraw/zinc/64/87/67/1016648767.db2.gz PXTIDHSVFUHQSF-VURMDHGXSA-N -1 1 322.339 3.672 20 30 DHEDMM Cc1cccc2nc([C@@H](C#N)C(=O)c3cnc(C4CC4)s3)[nH]c21 ZINC000522830801 1016804843 /nfs/dbraw/zinc/80/48/43/1016804843.db2.gz YMKFEKKFLFLTCJ-NSHDSACASA-N -1 1 322.393 3.695 20 30 DHEDMM Cc1cn2c(/C=C3\Cc4cc([O-])ccc4C3=O)c(C)nc2s1 ZINC000588535152 1017054082 /nfs/dbraw/zinc/05/40/82/1017054082.db2.gz MYTDCDUFXIIHOO-KPKJPENVSA-N -1 1 310.378 3.541 20 30 DHEDMM CCCCCCCC[C@@H](C)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000857615447 1032625010 /nfs/dbraw/zinc/62/50/10/1032625010.db2.gz VIWLWNLTGNNRMX-CQSZACIVSA-N -1 1 316.449 3.667 20 30 DHEDMM N#Cc1cccc(/C=C/c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000445477370 1017875563 /nfs/dbraw/zinc/87/55/63/1017875563.db2.gz NPPNTCHGJIYPNG-QPJJXVBHSA-N -1 1 307.284 3.623 20 30 DHEDMM N#CC1(c2ccc(-c3nc(-c4ccc([O-])c(F)c4)no3)cc2)CC1 ZINC000445484781 1017878531 /nfs/dbraw/zinc/87/85/31/1017878531.db2.gz XBBUXOQIXNIUCW-UHFFFAOYSA-N -1 1 321.311 3.803 20 30 DHEDMM Cc1ccc(-n2ncc(C#N)c2Nc2cccc([O-])c2F)cc1 ZINC001212546878 1018408364 /nfs/dbraw/zinc/40/83/64/1018408364.db2.gz ZVDAAWWEFNHBSU-UHFFFAOYSA-N -1 1 308.316 3.641 20 30 DHEDMM CC(=NNc1nc2cc(F)c(F)cc2[nH]1)c1ccc(F)cc1[O-] ZINC000727778449 1019778297 /nfs/dbraw/zinc/77/82/97/1019778297.db2.gz IMISDBFFPKFPKV-UHFFFAOYSA-N -1 1 320.274 3.522 20 30 DHEDMM N#Cc1ccc(Nc2cccc([O-])c2Br)cc1F ZINC001204073856 1032862994 /nfs/dbraw/zinc/86/29/94/1032862994.db2.gz BMPSIDDONVQJHC-UHFFFAOYSA-N -1 1 307.122 3.909 20 30 DHEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2C)ccc1C#N ZINC000235899383 1020051359 /nfs/dbraw/zinc/05/13/59/1020051359.db2.gz UOMNDUCPFOGDHZ-UHFFFAOYSA-N -1 1 320.801 3.629 20 30 DHEDMM CC[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188280720 1020328017 /nfs/dbraw/zinc/32/80/17/1020328017.db2.gz CEIGTSZJCVNSDM-CQSZACIVSA-N -1 1 308.381 3.705 20 30 DHEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1C ZINC000055547052 1020450551 /nfs/dbraw/zinc/45/05/51/1020450551.db2.gz QBOCPJFERHIMSB-UHFFFAOYSA-N -1 1 320.801 3.629 20 30 DHEDMM O=C(/C=C/c1nccn1Cc1ccccc1)c1ccc([O-])cc1 ZINC000734095457 1020555076 /nfs/dbraw/zinc/55/50/76/1020555076.db2.gz BAODZOYMJLNBAB-ZHACJKMWSA-N -1 1 304.349 3.533 20 30 DHEDMM COc1ccc(/C=C2/Oc3cc([O-])ccc3C2=O)cc1Cl ZINC000741469243 1021009746 /nfs/dbraw/zinc/00/97/46/1021009746.db2.gz YVUNKDFGZUIJDG-VIZOYTHASA-N -1 1 302.713 3.670 20 30 DHEDMM CCc1nc(SCc2cc(Cl)cc(C#N)c2)[n-]c(=O)c1C ZINC000917841738 1021374060 /nfs/dbraw/zinc/37/40/60/1021374060.db2.gz BFNNBDQYXGSMDF-UHFFFAOYSA-N -1 1 319.817 3.870 20 30 DHEDMM N#Cc1c(Cl)cccc1SCC(=O)c1ccc([O-])c(O)c1 ZINC000782916843 1021426832 /nfs/dbraw/zinc/42/68/32/1021426832.db2.gz COECBIZDUFLYFH-UHFFFAOYSA-N -1 1 319.769 3.598 20 30 DHEDMM Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3cc([O-])cc(C#N)c3)C2)cc1 ZINC000618889486 1021564668 /nfs/dbraw/zinc/56/46/68/1021564668.db2.gz PGSQEPJQJBXCSY-KSSFIOAISA-N -1 1 320.392 3.591 20 30 DHEDMM CC(C)[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(F)cc1 ZINC000619732528 1021864410 /nfs/dbraw/zinc/86/44/10/1021864410.db2.gz IBXMZKDSFQYRPH-KRWDZBQOSA-N -1 1 312.344 3.530 20 30 DHEDMM N#Cc1ccc(C(=O)/C=C/c2ccc([O-])c(Cl)c2)cc1F ZINC000776727329 1022455834 /nfs/dbraw/zinc/45/58/34/1022455834.db2.gz WBQGIZPMAMKZSY-ORCRQEGFSA-N -1 1 301.704 3.952 20 30 DHEDMM CC(=O)Nc1ccc(Nc2ccc(Cl)c([O-])c2)cc1C#N ZINC001212592977 1022492822 /nfs/dbraw/zinc/49/28/22/1022492822.db2.gz AJESIYUVQRNTCG-UHFFFAOYSA-N -1 1 301.733 3.619 20 30 DHEDMM N#CC[C@H](CC(=O)Nc1cc([O-])c(F)cc1F)c1ccccc1 ZINC001625896031 1022498785 /nfs/dbraw/zinc/49/87/85/1022498785.db2.gz DYSVVWUYPHECAF-GFCCVEGCSA-N -1 1 316.307 3.696 20 30 DHEDMM Cc1cn2c(/C=C3/Cc4cc([O-])ccc4C3=O)c(C)nc2s1 ZINC000187224211 1022644597 /nfs/dbraw/zinc/64/45/97/1022644597.db2.gz MYTDCDUFXIIHOO-GHXNOFRVSA-N -1 1 310.378 3.541 20 30 DHEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(C2CC2)c1 ZINC000584701930 1024533605 /nfs/dbraw/zinc/53/36/05/1024533605.db2.gz MCXFUQOYWWQYSC-GFCCVEGCSA-N -1 1 306.365 3.632 20 30 DHEDMM C=C(C)COc1cccc(NC(=O)c2cccc([O-])c2F)c1 ZINC001292766493 1024840605 /nfs/dbraw/zinc/84/06/05/1024840605.db2.gz MKRQLXHZNOTFFU-UHFFFAOYSA-N -1 1 301.317 3.739 20 30 DHEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc3nccnc3c2)n1 ZINC000354222892 1025388179 /nfs/dbraw/zinc/38/81/79/1025388179.db2.gz XNSACYUYEJDFIM-LBPRGKRZSA-N -1 1 322.393 3.700 20 30 DHEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1cccc(-n3cccn3)c1)O2 ZINC000760264396 1025498391 /nfs/dbraw/zinc/49/83/91/1025498391.db2.gz RUSYFUZIULFGIK-YVLHZVERSA-N -1 1 318.332 3.503 20 30 DHEDMM C#C[C@H]([N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)c1ccccc1 ZINC001130322543 1025637993 /nfs/dbraw/zinc/63/79/93/1025637993.db2.gz ONSDSOFQOZKDCK-HNNXBMFYSA-N -1 1 321.273 3.547 20 30 DHEDMM CCc1c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)ccn1C ZINC000355510435 1025750271 /nfs/dbraw/zinc/75/02/71/1025750271.db2.gz NJDGAAGOPKGHPY-LBPRGKRZSA-N -1 1 315.442 3.832 20 30 DHEDMM O=C(/C=C\c1c(F)ccc([O-])c1F)c1cc(F)ccc1[N+](=O)[O-] ZINC000806559211 1025922446 /nfs/dbraw/zinc/92/24/46/1025922446.db2.gz AIJXBUDLVMWNJY-DJWKRKHSSA-N -1 1 323.226 3.614 20 30 DHEDMM O=C([O-])c1ccc(C(=O)/C=C/C=C\c2ccc(F)cc2)c(O)c1 ZINC000806560686 1025924195 /nfs/dbraw/zinc/92/41/95/1025924195.db2.gz NVJVABRWVCXMPX-HSFFGMMNSA-N -1 1 312.296 3.682 20 30 DHEDMM COc1ccc(/C=C2/Cc3cc([O-])ccc3C2=O)c(C)c1OC ZINC000806572840 1025931089 /nfs/dbraw/zinc/93/10/89/1025931089.db2.gz SRGKOLSPNNDAGN-ZSOIEALJSA-N -1 1 310.349 3.540 20 30 DHEDMM C[C@@H]1CCN(C(=O)c2cc([O-])cc(C#N)c2)[C@H]1c1cccc(F)c1 ZINC000614370578 1026265621 /nfs/dbraw/zinc/26/56/21/1026265621.db2.gz NFZRMRFNKFVIMV-KZULUSFZSA-N -1 1 324.355 3.626 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccc(N3CCCCC3)c2)c1 ZINC000809623321 1026574748 /nfs/dbraw/zinc/57/47/48/1026574748.db2.gz TWJWRIFQGHCSTF-UHFFFAOYSA-N -1 1 321.380 3.506 20 30 DHEDMM Cc1ccc(-c2n[nH]cc2C=CC(=O)c2ccc([O-])cc2)cc1 ZINC000810192868 1026702810 /nfs/dbraw/zinc/70/28/10/1026702810.db2.gz BDUWWOMVQNDGSQ-FLIBITNWSA-N -1 1 304.349 3.987 20 30 DHEDMM CCc1cccc2c(C=NNc3ccccc3C(=O)[O-])c[nH]c21 ZINC000812441529 1027280677 /nfs/dbraw/zinc/28/06/77/1027280677.db2.gz BEMGNXLXQXQDQF-UHFFFAOYSA-N -1 1 307.353 3.875 20 30 DHEDMM CCC(N=Nc1ccccc1C(=O)[O-])c1ccc(Cl)c(N)c1 ZINC000814768976 1028201703 /nfs/dbraw/zinc/20/17/03/1028201703.db2.gz QWIOEFHFRGGEAZ-UHFFFAOYSA-N -1 1 317.776 3.847 20 30 DHEDMM CC(C)(C)c1nc(C#N)c(N=NCc2cccc([O-])c2Cl)o1 ZINC000814822216 1028225572 /nfs/dbraw/zinc/22/55/72/1028225572.db2.gz VCSFFEZSUKLOBR-UHFFFAOYSA-N -1 1 318.764 3.649 20 30 DHEDMM C=CCN(CCc1ccco1)C(=O)c1c([O-])cccc1Cl ZINC000779147137 1028433503 /nfs/dbraw/zinc/43/35/03/1028433503.db2.gz OCXCUIMUUAIEAF-UHFFFAOYSA-N -1 1 305.761 3.510 20 30 DHEDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c1 ZINC000010514815 1028629079 /nfs/dbraw/zinc/62/90/79/1028629079.db2.gz PSZPGOSDIFTZHX-UHFFFAOYSA-N -1 1 320.801 3.629 20 30 DHEDMM CO[C@@H]1CCOc2c(N[C@H](C)c3cccc(C#N)c3[O-])cccc21 ZINC000866353141 1030248619 /nfs/dbraw/zinc/24/86/19/1030248619.db2.gz WMAWISPDIZJXIF-SJKOYZFVSA-N -1 1 324.380 3.907 20 30 DHEDMM O=C(/C=C/c1ccnn1-c1ccc(F)cc1)c1ccc([O-])cc1 ZINC000794927502 1030332068 /nfs/dbraw/zinc/33/20/68/1030332068.db2.gz RMNMCVRREITOEP-JXMROGBWSA-N -1 1 308.312 3.613 20 30 DHEDMM COC(=O)c1ccc(Cl)c(/C=C/C(=O)c2ccc([O-])cc2)c1 ZINC000794927054 1030334211 /nfs/dbraw/zinc/33/42/11/1030334211.db2.gz OMBCMADLRXAEBD-WEVVVXLNSA-N -1 1 316.740 3.728 20 30 DHEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C/c2ccc(Cl)s2)c1 ZINC000757473776 1031186297 /nfs/dbraw/zinc/18/62/97/1031186297.db2.gz OYVWKHAFDQTSPE-GORDUTHDSA-N -1 1 308.742 3.701 20 30 DHEDMM C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000928387813 1031299590 /nfs/dbraw/zinc/29/95/90/1031299590.db2.gz RWQIPVPKBNEUES-LIRRHRJNSA-N -1 1 320.392 3.672 20 30 DHEDMM CC(C)(C)OC(=O)N=c1[n-]c(C=NOC/C=C/Cl)cs1 ZINC000872375291 1031592928 /nfs/dbraw/zinc/59/29/28/1031592928.db2.gz XWAWUYDVERKURA-JYCLJPCJSA-N -1 1 317.798 3.593 20 30 DHEDMM C=C1CCC(CNC(=O)c2ccc(C(F)(F)F)c([O-])c2)CC1 ZINC001154416526 1034340458 /nfs/dbraw/zinc/34/04/58/1034340458.db2.gz IUMMZMUILQOWMF-UHFFFAOYSA-N -1 1 313.319 3.887 20 30 DHEDMM COc1ccc(C(=O)/C=C\c2ccc([O-])c(F)c2)c(C)c1OC ZINC000794741527 1034435084 /nfs/dbraw/zinc/43/50/84/1034435084.db2.gz WNARHGRGMHLRLO-DAXSKMNVSA-N -1 1 316.328 3.753 20 30 DHEDMM O=C(/C=C\c1ccc([O-])c(Cl)c1)c1cnn(C2CCC2)c1 ZINC000899408390 1034646852 /nfs/dbraw/zinc/64/68/52/1034646852.db2.gz ZHAHRNXQWDFVAA-XQRVVYSFSA-N -1 1 302.761 3.863 20 30 DHEDMM [O-]c1c(O)cc(C=NOC2CCCCC2)cc1Br ZINC000777459388 1034753461 /nfs/dbraw/zinc/75/34/61/1034753461.db2.gz PDMLSPNCVRANIA-UHFFFAOYSA-N -1 1 314.179 3.544 20 30 DHEDMM CCc1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)c1 ZINC000481942939 1035034565 /nfs/dbraw/zinc/03/45/65/1035034565.db2.gz MRXZAWJQHSRLHD-UHFFFAOYSA-N -1 1 320.801 3.575 20 30 DHEDMM C[C@@H](C(=O)[N-][C@@H](c1ccc(F)cc1)C(F)(F)F)C(F)(F)F ZINC000080364411 1035174302 /nfs/dbraw/zinc/17/43/02/1035174302.db2.gz JMNKBZRAZQCKKJ-RCOVLWMOSA-N -1 1 317.204 3.744 20 30 DHEDMM Fc1cc(F)c([N-]c2cc(C(F)(F)F)no2)c(F)c1F ZINC001176347867 1035246267 /nfs/dbraw/zinc/24/62/67/1035246267.db2.gz VBBBIJNIDPSKNY-UHFFFAOYSA-N -1 1 300.133 3.993 20 30 DHEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(-c2ccccc2)cc1Cl ZINC001193161790 1035579717 /nfs/dbraw/zinc/57/97/17/1035579717.db2.gz SSMQHTMXSQFECC-NSHDSACASA-N -1 1 320.801 3.661 20 30 DHEDMM Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(C#N)cc2[O-])c1 ZINC001180511569 1035692571 /nfs/dbraw/zinc/69/25/71/1035692571.db2.gz CTBXALRYZYOWRB-UHFFFAOYSA-N -1 1 324.380 3.713 20 30 DHEDMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1 ZINC001194603157 1035968464 /nfs/dbraw/zinc/96/84/64/1035968464.db2.gz PKQWUFFHFUBNJT-UHFFFAOYSA-N -1 1 320.801 3.629 20 30 DHEDMM N#Cc1ccc(C(=O)N(Cc2ccccc2)CC2CCC2)cc1[O-] ZINC000443347272 1036093104 /nfs/dbraw/zinc/09/31/04/1036093104.db2.gz XNNIMHODBKONPB-UHFFFAOYSA-N -1 1 320.392 3.706 20 30 DHEDMM C#CCCCCCCCCC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC001182185324 1036118510 /nfs/dbraw/zinc/11/85/10/1036118510.db2.gz AGAFXCOQTRNQOP-UHFFFAOYSA-N -1 1 316.327 3.516 20 30 DHEDMM Cc1coc([N-]C(=O)c2sccc2C(F)(F)F)c1C#N ZINC001195207990 1036182353 /nfs/dbraw/zinc/18/23/53/1036182353.db2.gz FSYKHCCCVDKODJ-UHFFFAOYSA-N -1 1 300.261 3.792 20 30 DHEDMM N#Cc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(F)c1Cl ZINC001201229042 1037574130 /nfs/dbraw/zinc/57/41/30/1037574130.db2.gz ACUFYFIHVBDZMF-UHFFFAOYSA-N -1 1 307.668 3.708 20 30 DHEDMM N#Cc1nc2ccc(Nc3cc([O-])cc([N+](=O)[O-])c3)cc2s1 ZINC001201222946 1037579121 /nfs/dbraw/zinc/57/91/21/1037579121.db2.gz TZPVSOKEMDENNK-UHFFFAOYSA-N -1 1 312.310 3.525 20 30 DHEDMM N#Cc1ccc(C(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)cc1[O-] ZINC000490175571 1037627482 /nfs/dbraw/zinc/62/74/82/1037627482.db2.gz FQHBKHMMICDZQC-QAPCUYQASA-N -1 1 320.392 3.720 20 30 DHEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1cc(Cl)ccc1Cl ZINC000916241573 1037720418 /nfs/dbraw/zinc/72/04/18/1037720418.db2.gz LOAKNVDOCIOXJU-UHFFFAOYSA-N -1 1 311.172 3.634 20 30 DHEDMM COc1ccc(NC(=O)Nc2ccc([O-])c(C#N)c2)cc1Cl ZINC001188474897 1037907762 /nfs/dbraw/zinc/90/77/62/1037907762.db2.gz RODDWHXLCNYTDX-UHFFFAOYSA-N -1 1 317.732 3.570 20 30 DHEDMM Cc1ccc([C@H]2CCCN2C(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000589168323 1038437467 /nfs/dbraw/zinc/43/74/67/1038437467.db2.gz KAXAADUPCLZVJC-GOSISDBHSA-N -1 1 306.365 3.550 20 30 DHEDMM CCCN(C(=O)c1cc([O-])cc(C#N)c1)[C@@H]1CCc2ccccc21 ZINC000589173275 1038439465 /nfs/dbraw/zinc/43/94/65/1038439465.db2.gz QVIWONYCTTURIV-LJQANCHMSA-N -1 1 320.392 3.804 20 30 DHEDMM CCc1ccc(C(C)(C)CNC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000589188041 1038444521 /nfs/dbraw/zinc/44/45/21/1038444521.db2.gz JIELAMDOIOPZNO-UHFFFAOYSA-N -1 1 322.408 3.534 20 30 DHEDMM CC[C@H](NC(=O)c1cc([O-])cc(C#N)c1)C(C)(C)c1ccccc1 ZINC000589190824 1038446920 /nfs/dbraw/zinc/44/69/20/1038446920.db2.gz YBKZOZXKDIAVKO-SFHVURJKSA-N -1 1 322.408 3.750 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@H]2/C=C/c2ccccc2)c1 ZINC000589199379 1038449001 /nfs/dbraw/zinc/44/90/01/1038449001.db2.gz GORBUAGEOQPGLY-GFOMBABLSA-N -1 1 318.376 3.582 20 30 DHEDMM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589959505 1038558986 /nfs/dbraw/zinc/55/89/86/1038558986.db2.gz MYOLYQRNXJZIQL-LPMFXHHGSA-N -1 1 320.392 3.671 20 30 DHEDMM N#Cc1ccc(NC(=O)Nc2ccc(OC(F)F)cc2)c([O-])c1 ZINC001192182639 1038605944 /nfs/dbraw/zinc/60/59/44/1038605944.db2.gz USKWGVTZXZMQRX-UHFFFAOYSA-N -1 1 319.267 3.509 20 30 DHEDMM COc1ccc(C(=O)/C=C/c2ccc([O-])c(Cl)c2)c(OC)c1 ZINC000060132410 1040454334 /nfs/dbraw/zinc/45/43/34/1040454334.db2.gz BCVKDCSOEDSOGC-XVNBXDOJSA-N -1 1 318.756 3.959 20 30 DHEDMM O=C(/C=C/c1ccc(Oc2cnccn2)cc1)c1ccc([O-])cc1 ZINC000174163522 1040566812 /nfs/dbraw/zinc/56/68/12/1040566812.db2.gz OMDLPRGHUSMGEK-XCVCLJGOSA-N -1 1 318.332 3.871 20 30 DHEDMM N#Cc1ccc(C(=O)N2CC3(CCCC3)[C@H]2c2ccco2)cc1[O-] ZINC000598038937 1041025629 /nfs/dbraw/zinc/02/56/29/1041025629.db2.gz HMDSJUJWSOIEMP-QGZVFWFLSA-N -1 1 322.364 3.614 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)N2CC3(CCCC3)[C@@H]2c2ccco2)c1 ZINC000598041357 1041026299 /nfs/dbraw/zinc/02/62/99/1041026299.db2.gz TYPNNMMWEUYLIS-KRWDZBQOSA-N -1 1 322.364 3.614 20 30 DHEDMM N#Cc1cc(-c2ccc(C(=O)N3CCCCC3)cc2)ccc1[O-] ZINC000065341708 184325635 /nfs/dbraw/zinc/32/56/35/184325635.db2.gz HYZAIPOCBOXPHE-UHFFFAOYSA-N -1 1 306.365 3.557 20 30 DHEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1C ZINC000168592555 332582003 /nfs/dbraw/zinc/58/20/03/332582003.db2.gz OGRRCFJMSHJBQQ-UHFFFAOYSA-N -1 1 320.801 3.629 20 30 DHEDMM CC(C)(C)CN(Cc1ccccc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442959917 338440199 /nfs/dbraw/zinc/44/01/99/338440199.db2.gz AKMQZRGQSYLRTJ-UHFFFAOYSA-N -1 1 322.408 3.952 20 30 DHEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000179025744 333023929 /nfs/dbraw/zinc/02/39/29/333023929.db2.gz XHMPQDPHBDFKNL-UHFFFAOYSA-N -1 1 320.801 3.629 20 30 DHEDMM CC#CCCCC(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000185043796 333260708 /nfs/dbraw/zinc/26/07/08/333260708.db2.gz KFJGOOGGNMRJMQ-UHFFFAOYSA-N -1 1 310.191 3.595 20 30 DHEDMM C=C(C)CN(CC)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000338338030 333483832 /nfs/dbraw/zinc/48/38/32/333483832.db2.gz POCOTOWKGDLDOQ-UHFFFAOYSA-N -1 1 304.777 3.632 20 30 DHEDMM O=C([N-]CCCC(F)(F)F)C(F)(F)c1c(F)cccc1F ZINC000270490455 334013935 /nfs/dbraw/zinc/01/39/35/334013935.db2.gz XMZNAFOTLZDIOA-UHFFFAOYSA-N -1 1 317.204 3.515 20 30 DHEDMM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188359395 334688046 /nfs/dbraw/zinc/68/80/46/334688046.db2.gz KMCAARHJKYGLLO-AWEZNQCLSA-N -1 1 320.392 3.705 20 30 DHEDMM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188575965 334863712 /nfs/dbraw/zinc/86/37/12/334863712.db2.gz XMHAXPURRYOKSB-GOSISDBHSA-N 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/nfs/dbraw/zinc/41/49/32/337414932.db2.gz CZFAQGYNHGIVNC-VIZOYTHASA-N -1 1 322.345 3.527 20 30 DHEDMM CCOc1cc(C([O-])=C(C#N)c2nc(C)cs2)ccc1C ZINC000073087287 337549360 /nfs/dbraw/zinc/54/93/60/337549360.db2.gz ODQPXFLUBRUSME-CYBMUJFWSA-N -1 1 300.383 3.649 20 30 DHEDMM C=CCC1(c2nc(-c3ccc([O-])cc3Cl)no2)CCOCC1 ZINC000424359750 337826126 /nfs/dbraw/zinc/82/61/26/337826126.db2.gz RJWUXJVLGIVXGL-UHFFFAOYSA-N -1 1 320.776 3.720 20 30 DHEDMM CC(=Cc1cc(Cl)cc(Cl)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435339052 338237419 /nfs/dbraw/zinc/23/74/19/338237419.db2.gz NNLJRPJKKQZQQO-FPYGCLRLSA-N -1 1 320.179 3.817 20 30 DHEDMM CCOc1cc(/C=C/c2ccncc2C#N)cc(Cl)c1[O-] ZINC000436819554 338288482 /nfs/dbraw/zinc/28/84/82/338288482.db2.gz YPVSVMKTRVLUDB-ONEGZZNKSA-N -1 1 300.745 3.881 20 30 DHEDMM N#Cc1ccc(C(=O)N[C@H](c2ccccc2)C2CCCC2)cc1[O-] ZINC000442730639 338429330 /nfs/dbraw/zinc/42/93/30/338429330.db2.gz OQWDQSCBALTVLB-LJQANCHMSA-N -1 1 320.392 3.925 20 30 DHEDMM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000007055357 340462156 /nfs/dbraw/zinc/46/21/56/340462156.db2.gz CLRWWYHNYVRHHY-UHFFFAOYSA-N -1 1 314.410 3.702 20 30 DHEDMM C=CCCC[C@@H](C)NC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000545845809 341143042 /nfs/dbraw/zinc/14/30/42/341143042.db2.gz GOUGHLRUKLJYPK-LLVKDONJSA-N -1 1 311.809 3.919 20 30 DHEDMM CN(Cc1ccc(C#N)cc1)C(=O)c1ccc2ccccc2c1[O-] ZINC000078273436 341239501 /nfs/dbraw/zinc/23/95/01/341239501.db2.gz BQCWYOFIXMYYPI-UHFFFAOYSA-N -1 1 316.360 3.689 20 30 DHEDMM CCCCC(CC)N=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000736439710 598788260 /nfs/dbraw/zinc/78/82/60/598788260.db2.gz TYKQKZCTNVGJAK-UHFFFAOYSA-N -1 1 319.413 3.520 20 30 DHEDMM O=C([O-])c1ccc2[nH]cc(CN=Nc3ccc(F)cc3F)c2c1 ZINC000740190731 600180702 /nfs/dbraw/zinc/18/07/02/600180702.db2.gz PVOCBJYEJWUUOV-UHFFFAOYSA-N -1 1 315.279 3.590 20 30 DHEDMM CN(CC#Cc1cccc(Cl)c1)Cc1ccc(C(=O)[O-])cc1 ZINC000833690934 604922250 /nfs/dbraw/zinc/92/22/50/604922250.db2.gz FQMYCPIRDDOOLI-UHFFFAOYSA-N -1 1 313.784 3.522 20 30 DHEDMM O=C([O-])c1ccccc1NN=C(C[C@@H]1CCOC1)c1ccccc1 ZINC000753924218 605097242 /nfs/dbraw/zinc/09/72/42/605097242.db2.gz RJLBIYPNXHUGTG-AWEZNQCLSA-N -1 1 324.380 3.628 20 30 DHEDMM O=C1c2ccccc2CCCC1=Cc1ccc(-c2nn[n-]n2)s1 ZINC000823503376 606388097 /nfs/dbraw/zinc/38/80/97/606388097.db2.gz FECIAZNAQWWREK-ZRDIBKRKSA-N -1 1 322.393 3.531 20 30 DHEDMM CC(C)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000824348004 608091823 /nfs/dbraw/zinc/09/18/23/608091823.db2.gz WLQIYRFOXGKFRL-YVMONPNESA-N -1 1 324.409 3.948 20 30 DHEDMM CC(C)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000824348004 608091824 /nfs/dbraw/zinc/09/18/24/608091824.db2.gz WLQIYRFOXGKFRL-YVMONPNESA-N -1 1 324.409 3.948 20 30 DHEDMM O=C(C=Cc1coc2ccccc12)c1ccc(-c2nnn[n-]2)s1 ZINC000826403348 608093350 /nfs/dbraw/zinc/09/33/50/608093350.db2.gz PRWPNCSSPRBFGA-AATRIKPKSA-N -1 1 322.349 3.571 20 30 DHEDMM O=C(C=Cc1coc2ccccc12)c1ccc(-c2nn[n-]n2)s1 ZINC000826403348 608093351 /nfs/dbraw/zinc/09/33/51/608093351.db2.gz PRWPNCSSPRBFGA-AATRIKPKSA-N 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/nfs/dbraw/zinc/75/58/65/1014755865.db2.gz GIZUKVMQTFDTKW-UHFFFAOYSA-N -1 1 302.418 3.798 20 30 DHEDMM CCC[C@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccccc1 ZINC000071798888 1014845393 /nfs/dbraw/zinc/84/53/93/1014845393.db2.gz XTIUQWCECMHAHM-JTQLQIEISA-N -1 1 312.295 3.995 20 30 DHEDMM CCc1oc(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1C(=O)[O-] ZINC001597798689 989371313 /nfs/dbraw/zinc/37/13/13/989371313.db2.gz HKCJBZXEADFAAO-QGZVFWFLSA-N -1 1 324.380 3.579 20 30 DHEDMM CC(C)(CC/N=C/c1cc(Cl)cc(Cl)c1O)C(=O)[O-] ZINC001590671419 990384671 /nfs/dbraw/zinc/38/46/71/990384671.db2.gz ZZMDALIEEAKKJE-FRKPEAEDSA-N -1 1 304.173 3.619 20 30 DHEDMM Cc1ccc(C(F)(F)C(=O)[N-][C@H](C#N)c2ccc(F)cc2)cc1 ZINC000780863454 1015919125 /nfs/dbraw/zinc/91/91/25/1015919125.db2.gz QLZDLVPVMUPVCA-OAHLLOKOSA-N -1 1 318.298 3.607 20 30 DHEDMM C[C@H](c1ccccc1)N(C(=O)c1ccc(C#N)c([O-])c1)C1CC1 ZINC000342723245 1017096945 /nfs/dbraw/zinc/09/69/45/1017096945.db2.gz ONKKMEWHIBUDMY-CYBMUJFWSA-N -1 1 306.365 3.630 20 30 DHEDMM COc1ccc(/C=C\C(=O)c2cc(O)ccc2[O-])cc1Cl ZINC000255585776 1018930742 /nfs/dbraw/zinc/93/07/42/1018930742.db2.gz PGAQNBXKOXVSFC-DJWKRKHSSA-N -1 1 304.729 3.656 20 30 DHEDMM CC(=NNc1cccc([N+](=O)[O-])c1C)c1cc(F)ccc1[O-] ZINC000727972982 1019852045 /nfs/dbraw/zinc/85/20/45/1019852045.db2.gz NTGCUIJGRAWHHE-UHFFFAOYSA-N -1 1 303.293 3.584 20 30 DHEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)ccc1C#N ZINC000235809741 1019963728 /nfs/dbraw/zinc/96/37/28/1019963728.db2.gz AOVGXFGVIGEKKC-UHFFFAOYSA-N -1 1 320.801 3.629 20 30 DHEDMM O=C(/C=C\c1ccc(OCC(F)F)cc1)c1cc(O)ccc1[O-] ZINC000255659879 1020210539 /nfs/dbraw/zinc/21/05/39/1020210539.db2.gz GDYFMASOTYZHMF-CLTKARDFSA-N -1 1 320.291 3.638 20 30 DHEDMM C=C[C@@H](COC)[N-]c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC001117530083 1020232329 /nfs/dbraw/zinc/23/23/29/1020232329.db2.gz DZUOXFIGEGMGHU-NSHDSACASA-N -1 1 314.172 3.656 20 30 DHEDMM N#CC(=C([O-])c1ccc2c(c1)COC2)c1nc(C2CC2)cs1 ZINC000647377497 1020256446 /nfs/dbraw/zinc/25/64/46/1020256446.db2.gz 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ZINC000618935289 1021579665 /nfs/dbraw/zinc/57/96/65/1021579665.db2.gz LHVKQZDGDCNKNO-UHFFFAOYSA-N -1 1 318.376 3.736 20 30 DHEDMM CCCCCCCCc1nnc([N-]C(=O)c2ccon2)s1 ZINC000920278304 1022095271 /nfs/dbraw/zinc/09/52/71/1022095271.db2.gz GXFQZXGGHANVMX-UHFFFAOYSA-N -1 1 308.407 3.681 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC000776588102 1022102520 /nfs/dbraw/zinc/10/25/20/1022102520.db2.gz MMWNVLNWJXXOQC-UHFFFAOYSA-N -1 1 320.320 3.831 20 30 DHEDMM CC(C)c1ccc2c(c1)CCCN2C(=O)c1cc([O-])cc(C#N)c1 ZINC000776628331 1022188932 /nfs/dbraw/zinc/18/89/32/1022188932.db2.gz PALRDQMNKFYRCA-UHFFFAOYSA-N -1 1 320.392 3.980 20 30 DHEDMM CC(C)(C)[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1cccc(Cl)c1 ZINC000766578839 1022233720 /nfs/dbraw/zinc/23/37/20/1022233720.db2.gz AHYLIASMGYHJFY-CQSZACIVSA-N -1 1 314.763 3.876 20 30 DHEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1cc2ccccc2s1 ZINC000615494724 1022494966 /nfs/dbraw/zinc/49/49/66/1022494966.db2.gz AWBZKUYLSRMICA-LLVKDONJSA-N -1 1 322.389 3.970 20 30 DHEDMM C=CCCO[N-]C(=O)Cc1sc(C)nc1-c1ccc(C)cc1 ZINC000856028574 1022741375 /nfs/dbraw/zinc/74/13/75/1022741375.db2.gz KAFRHJCQQXFTLQ-UHFFFAOYSA-N -1 1 316.426 3.593 20 30 DHEDMM CC(C)(C#N)c1ccc(C(=O)Nc2cc([O-])c(F)cc2F)cc1 ZINC001625897323 1022880623 /nfs/dbraw/zinc/88/06/23/1022880623.db2.gz YWJVPKXZEQLYKC-UHFFFAOYSA-N -1 1 316.307 3.724 20 30 DHEDMM CC(N=Nc1ccccc1C(=O)[O-])c1ccc(O)c(Cl)c1 ZINC000768772046 1023023989 /nfs/dbraw/zinc/02/39/89/1023023989.db2.gz GXUAEUXPYVSBFZ-UHFFFAOYSA-N -1 1 304.733 3.580 20 30 DHEDMM C=CC[C@@H]1CCCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000617781649 1023052394 /nfs/dbraw/zinc/05/23/94/1023052394.db2.gz RAKRROFDKJJRFA-LLVKDONJSA-N -1 1 324.218 3.583 20 30 DHEDMM C=CCN(Cc1ccccc1)C(=O)c1c([O-])cccc1Cl ZINC000769694526 1023195554 /nfs/dbraw/zinc/19/55/54/1023195554.db2.gz UROILSPPDIEVRP-UHFFFAOYSA-N -1 1 301.773 3.874 20 30 DHEDMM O=C1c2ccc([O-])cc2C/C1=C/c1ncc(C(F)(F)F)s1 ZINC000788355178 1023875872 /nfs/dbraw/zinc/87/58/72/1023875872.db2.gz 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ARXILEFSTCKCRV-UHFFFAOYSA-N -1 1 322.408 3.605 20 30 DHEDMM N#Cc1sccc1NC(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193736269 1035711337 /nfs/dbraw/zinc/71/13/37/1035711337.db2.gz ZAOKYGRPWZHIBV-UHFFFAOYSA-N -1 1 312.272 3.596 20 30 DHEDMM CC[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Cl)s1 ZINC000442972855 1035733650 /nfs/dbraw/zinc/73/36/50/1035733650.db2.gz ZKASWDFQIDBZES-NSHDSACASA-N -1 1 320.801 3.860 20 30 DHEDMM O=C1C/C(=C/c2ccc([O-])c(Cl)c2)C(=O)c2ccccc2N1 ZINC000774146180 1036198055 /nfs/dbraw/zinc/19/80/55/1036198055.db2.gz SYAGVGVEUDBHAZ-XFFZJAGNSA-N -1 1 313.740 3.654 20 30 DHEDMM Cc1noc(C(C)C)c1C(=O)[N-]c1c(C#N)ccc(F)c1F ZINC001197360344 1036751521 /nfs/dbraw/zinc/75/15/21/1036751521.db2.gz ARSWYKQEZPXQJX-UHFFFAOYSA-N -1 1 305.284 3.509 20 30 DHEDMM Cc1c2ccccc2oc1[C@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589170619 1036811545 /nfs/dbraw/zinc/81/15/45/1036811545.db2.gz SOYZWYVJGQACMW-LBPRGKRZSA-N -1 1 320.348 3.810 20 30 DHEDMM Cc1ccccc1CC1(C(=O)Nc2ccc(C#N)cc2[O-])CC1 ZINC001185192920 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Cc1cc([O-])cc2c1C(=O)/C(=C/c1ccc(OC(F)F)cc1)O2 ZINC000915988972 1037640018 /nfs/dbraw/zinc/64/00/18/1037640018.db2.gz RAJRVFOFHXBOKD-AUWJEWJLSA-N -1 1 318.275 3.918 20 30 DHEDMM CSc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000916240459 1037713770 /nfs/dbraw/zinc/71/37/70/1037713770.db2.gz CRLPPGNHQMONTI-UHFFFAOYSA-N -1 1 300.383 3.943 20 30 DHEDMM Cc1ccc2c(c1)C(N=Nc1ccc(C(=O)[O-])cc1)CCCO2 ZINC000916240526 1037714501 /nfs/dbraw/zinc/71/45/01/1037714501.db2.gz FNWMAKXTCQGEHN-UHFFFAOYSA-N -1 1 310.353 3.682 20 30 DHEDMM Cc1cccc(NN=Cc2ccc([O-])c(Br)c2)c1 ZINC000916256190 1037718569 /nfs/dbraw/zinc/71/85/69/1037718569.db2.gz OXIWQCCFWHXZHD-UHFFFAOYSA-N -1 1 305.175 3.909 20 30 DHEDMM CCCCCCCCS(=O)(=O)[N-]c1cccc(Cl)n1 ZINC001187993323 1037774255 /nfs/dbraw/zinc/77/42/55/1037774255.db2.gz UASPSNVFLBFCQP-UHFFFAOYSA-N -1 1 304.843 3.837 20 30 DHEDMM C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000587989368 1038207714 /nfs/dbraw/zinc/20/77/14/1038207714.db2.gz 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N#Cc1ccc(NC(=O)c2cncc(-c3cccs3)c2)c([O-])c1 ZINC001191823973 1038555439 /nfs/dbraw/zinc/55/54/39/1038555439.db2.gz BXVNVPJEFBLNBA-UHFFFAOYSA-N -1 1 321.361 3.640 20 30 DHEDMM CC(C)Oc1ccc([C@@H](C)NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000190146542 334924526 /nfs/dbraw/zinc/92/45/26/334924526.db2.gz DKNKQGUUOFLFLG-CYBMUJFWSA-N -1 1 324.380 3.542 20 30 DHEDMM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2ccc(C#N)c([O-])c2)o1 ZINC000188598824 200273546 /nfs/dbraw/zinc/27/35/46/200273546.db2.gz BSRQPCSLBAMGHX-MLGOLLRUSA-N -1 1 324.380 3.779 20 30 DHEDMM C=CC[C@H](NCc1ccc(-c2ccc(F)cc2C)o1)C(=O)[O-] ZINC000426832585 332156296 /nfs/dbraw/zinc/15/62/96/332156296.db2.gz IKWLDYPQEHWUCJ-HNNXBMFYSA-N -1 1 303.333 3.513 20 30 DHEDMM CCc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000168595151 332581140 /nfs/dbraw/zinc/58/11/40/332581140.db2.gz KGHJORQHTOQEAN-UHFFFAOYSA-N -1 1 320.801 3.575 20 30 DHEDMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1cccc(C#N)c1 ZINC000460458111 333091120 /nfs/dbraw/zinc/09/11/20/333091120.db2.gz 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CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000442868736 338436385 /nfs/dbraw/zinc/43/63/85/338436385.db2.gz OINVKWVRQWJQBC-CABCVRRESA-N -1 1 300.402 3.599 20 30 DHEDMM CC(C)[C@H](CNC(=O)c1ccc(C#N)c([O-])c1)Cc1ccccc1 ZINC000470737582 339326527 /nfs/dbraw/zinc/32/65/27/339326527.db2.gz QDLHUNZCILAODI-SFHVURJKSA-N -1 1 322.408 3.509 20 30 DHEDMM CCc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000511115176 340321248 /nfs/dbraw/zinc/32/12/48/340321248.db2.gz LMJOZLYPDVIGOT-UHFFFAOYSA-N -1 1 320.801 3.575 20 30 DHEDMM N#Cc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cc1Cl ZINC000564271629 341055283 /nfs/dbraw/zinc/05/52/83/341055283.db2.gz DNAPFDRFQXXOPG-UHFFFAOYSA-N -1 1 315.691 3.773 20 30 DHEDMM O=C([O-])C1(C/N=C/c2cc(Cl)cc(Cl)c2O)CCCC1 ZINC000833173707 601366154 /nfs/dbraw/zinc/36/61/54/601366154.db2.gz GGAFXOWOAQFSRP-REZTVBANSA-N -1 1 316.184 3.763 20 30 DHEDMM C[C@@H]1CC(=Cc2ccc(-c3nn[n-]n3)s2)C(=O)c2ccccc21 ZINC000824858256 607681180 /nfs/dbraw/zinc/68/11/80/607681180.db2.gz 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CC(=NNCc1cnc2ccccc2c1)c1ccc(F)cc1[O-] ZINC000764774799 1018375451 /nfs/dbraw/zinc/37/54/51/1018375451.db2.gz GCYLFVDHRLRHSS-UHFFFAOYSA-N -1 1 309.344 3.593 20 30 DHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1 ZINC000315413932 1032776659 /nfs/dbraw/zinc/77/66/59/1032776659.db2.gz BVJGDMRLVAKZLU-UHFFFAOYSA-N -1 1 314.410 3.791 20 30 DHEDMM CC(=NNC(=S)Nc1ccccc1C)c1ccc(F)cc1[O-] ZINC000727777277 1019776724 /nfs/dbraw/zinc/77/67/24/1019776724.db2.gz NVWKZBRPURKBKY-UHFFFAOYSA-N -1 1 317.389 3.550 20 30 DHEDMM CCC1(CC)CCCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000615894617 1019916870 /nfs/dbraw/zinc/91/68/70/1019916870.db2.gz GLPBVRPUXGFAML-UHFFFAOYSA-N -1 1 300.402 3.696 20 30 DHEDMM N#Cc1ccc(COC(=O)c2ccc(Cl)c(Cl)c2[O-])cc1 ZINC000730359413 1019979211 /nfs/dbraw/zinc/97/92/11/1019979211.db2.gz KNGXVVKVCKYKGM-UHFFFAOYSA-N -1 1 322.147 3.928 20 30 DHEDMM COc1ccc([O-])c(C(=O)C=Cc2c[nH]c(-c3ccccc3)n2)c1 ZINC000176956031 1020105330 /nfs/dbraw/zinc/10/53/30/1020105330.db2.gz 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DHEDMM Cc1nc(Cl)cc(N=NC(C)c2ccc([O-])c(Cl)c2)n1 ZINC000768777466 1023026932 /nfs/dbraw/zinc/02/69/32/1023026932.db2.gz YNBVHZQUVFXTGK-UHFFFAOYSA-N -1 1 311.172 3.634 20 30 DHEDMM C=CC[C@@H]1CCCN(C(=O)c2ccc(Br)c([O-])c2)C1 ZINC000617781776 1023053467 /nfs/dbraw/zinc/05/34/67/1023053467.db2.gz UHLZJXJTPUSCTG-LLVKDONJSA-N -1 1 324.218 3.583 20 30 DHEDMM COc1cc(/C=C/C(=O)c2ccc([O-])cc2)cc(Cl)c1OC ZINC000005128153 1023733405 /nfs/dbraw/zinc/73/34/05/1023733405.db2.gz VLLYUPGTHZFHSL-FPYGCLRLSA-N -1 1 318.756 3.959 20 30 DHEDMM Cc1ccc(C(=O)[O-])cc1C(C)N=Nc1cc(F)c(F)cc1F ZINC000788427418 1023880314 /nfs/dbraw/zinc/88/03/14/1023880314.db2.gz ACRFDXRRBNBKRR-UHFFFAOYSA-N -1 1 322.286 3.947 20 30 DHEDMM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000213219796 1024150805 /nfs/dbraw/zinc/15/08/05/1024150805.db2.gz HYJBPIKKMONSEN-ZPBHHCQCSA-N -1 1 313.284 3.823 20 30 DHEDMM C=C[C@@H](CC(=O)Nc1nc(Cl)ccc1[O-])c1ccccc1 ZINC000790047305 1024214188 /nfs/dbraw/zinc/21/41/88/1024214188.db2.gz JRXZELGALYLQFV-NSHDSACASA-N -1 1 302.761 3.739 20 30 DHEDMM CC(C)c1nc(C#N)c(N=NCc2c([O-])ccc(Cl)c2F)o1 ZINC000790160111 1024232822 /nfs/dbraw/zinc/23/28/22/1024232822.db2.gz UVQSYENLPWTITK-UHFFFAOYSA-N -1 1 322.727 3.614 20 30 DHEDMM CC(=CC=Cc1ccc(F)c(F)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000349102478 1024675189 /nfs/dbraw/zinc/67/51/89/1024675189.db2.gz ARBDJEKDMSOQRQ-GZDBDKJZSA-N -1 1 313.307 3.757 20 30 DHEDMM CCC(N=Nc1cccc([N+](=O)[O-])c1)c1ccc(C(=O)[O-])cc1 ZINC000760224973 1024764671 /nfs/dbraw/zinc/76/46/71/1024764671.db2.gz GQWSCFZLJJKFFL-UHFFFAOYSA-N -1 1 313.313 3.519 20 30 DHEDMM N#Cc1ccc(NC(=O)CCCCC(=O)c2ccccc2)c([O-])c1 ZINC001143530101 1024828306 /nfs/dbraw/zinc/82/83/06/1024828306.db2.gz VSAFNMYEYNHHNF-UHFFFAOYSA-N -1 1 322.364 3.646 20 30 DHEDMM Cc1sc([N-]C(=O)c2cc(-c3ccccn3)no2)c(C#N)c1C ZINC000353556143 1025127644 /nfs/dbraw/zinc/12/76/44/1025127644.db2.gz BUKXIXDLBDLAMR-UHFFFAOYSA-N -1 1 324.365 3.539 20 30 DHEDMM C#CCN(Cc1ccccc1)C(=O)c1ccc2ccccc2c1[O-] ZINC000804836180 1025495016 /nfs/dbraw/zinc/49/50/16/1025495016.db2.gz ZFHZBBXRDZCJPT-UHFFFAOYSA-N -1 1 315.372 3.821 20 30 DHEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)ncn3C)n1 ZINC000355152882 1025615763 /nfs/dbraw/zinc/61/57/63/1025615763.db2.gz UICFUNAXWVBESA-LBPRGKRZSA-N -1 1 324.409 3.643 20 30 DHEDMM O=C([O-])c1ccc(C(=O)/C=C/c2ccc(C(F)F)cc2)c(O)c1 ZINC000806560469 1025922221 /nfs/dbraw/zinc/92/22/21/1025922221.db2.gz MFVOLXTUGTWGSR-FPYGCLRLSA-N -1 1 318.275 3.924 20 30 DHEDMM O=C1c2ccc([O-])cc2CC/C1=C/c1ccc(C(F)(F)F)[nH]1 ZINC000806567515 1025926746 /nfs/dbraw/zinc/92/67/46/1025926746.db2.gz XXEZMHGJSYVSHT-YFHOEESVSA-N -1 1 307.271 3.952 20 30 DHEDMM CC(C)(C)c1ncc(/C=C2/CCc3cc([O-])ccc3C2=O)cn1 ZINC000806567562 1025926755 /nfs/dbraw/zinc/92/67/55/1025926755.db2.gz ZSEOMZHGQZWVIX-ZSOIEALJSA-N -1 1 308.381 3.692 20 30 DHEDMM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614361653 1026254001 /nfs/dbraw/zinc/25/40/01/1026254001.db2.gz LGFWXUXGUCESJA-NSHDSACASA-N -1 1 314.772 3.750 20 30 DHEDMM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614361664 1026254763 /nfs/dbraw/zinc/25/47/63/1026254763.db2.gz LXLLRPGQASBWLL-CVEARBPZSA-N -1 1 300.402 3.599 20 30 DHEDMM C[C@H]1CCN(C(=O)c2cc([O-])cc(C#N)c2)[C@H]1c1cccc(F)c1 ZINC000614370577 1026264024 /nfs/dbraw/zinc/26/40/24/1026264024.db2.gz NFZRMRFNKFVIMV-KPZWWZAWSA-N -1 1 324.355 3.626 20 30 DHEDMM C[C@H]1CCN(C(=O)c2cc([O-])cc(C#N)c2)[C@@H]1c1cccc(F)c1 ZINC000614370579 1026264859 /nfs/dbraw/zinc/26/48/59/1026264859.db2.gz NFZRMRFNKFVIMV-SGTLLEGYSA-N -1 1 324.355 3.626 20 30 DHEDMM N#CC(=C([O-])c1cc2cc([N+](=O)[O-])ccc2s1)c1ccccn1 ZINC000041493447 1026707274 /nfs/dbraw/zinc/70/72/74/1026707274.db2.gz JQGAWTFESKUUQA-LBPRGKRZSA-N -1 1 323.333 3.695 20 30 DHEDMM C=CC[C@@H]1CCCN(c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)C1 ZINC000664252695 1026831881 /nfs/dbraw/zinc/83/18/81/1026831881.db2.gz BJKHPHZKZVGFCA-OAHLLOKOSA-N -1 1 324.428 3.654 20 30 DHEDMM N#CC(=C([O-])C=Cc1ccccc1)c1cc(C(F)(F)F)ccn1 ZINC000813215958 1027564728 /nfs/dbraw/zinc/56/47/28/1027564728.db2.gz DBDGTWNNUONNIS-UZYOAWRESA-N -1 1 316.282 3.990 20 30 DHEDMM Cn1nccc1-c1ccccc1/C=C\C(=O)c1ccc([O-])cc1 ZINC000814186703 1027941900 /nfs/dbraw/zinc/94/19/00/1027941900.db2.gz NENAYGOEVFQSOK-FLIBITNWSA-N -1 1 304.349 3.689 20 30 DHEDMM [O-]c1cccc(C=NNc2cc(F)c(F)cc2F)c1Cl ZINC000814849737 1028244676 /nfs/dbraw/zinc/24/46/76/1028244676.db2.gz IDBPGUMNIUXVTH-UHFFFAOYSA-N -1 1 300.667 3.909 20 30 DHEDMM C[C@]1(Cc2ccccc2)CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000189218632 1028560893 /nfs/dbraw/zinc/56/08/93/1028560893.db2.gz ZOPWYKQVBWDSPP-HXUWFJFHSA-N -1 1 320.392 3.501 20 30 DHEDMM O=C1c2cc(F)ccc2OC/C1=C/c1ccc([O-])c(Cl)c1 ZINC000109196086 1030061310 /nfs/dbraw/zinc/06/13/10/1030061310.db2.gz QETXFNLLJREFBM-YHYXMXQVSA-N -1 1 304.704 3.843 20 30 DHEDMM C[C@H](Nc1cccc(N2CCCC2=O)c1)c1cccc(C#N)c1[O-] ZINC000866316365 1030225872 /nfs/dbraw/zinc/22/58/72/1030225872.db2.gz 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CC#CCCCCCCCC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC001182764447 1036436251 /nfs/dbraw/zinc/43/62/51/1036436251.db2.gz KLBLFRIWDYCNRU-UHFFFAOYSA-N -1 1 316.327 3.516 20 30 DHEDMM C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000908641904 1036460414 /nfs/dbraw/zinc/46/04/14/1036460414.db2.gz NUFZDQKFYIDLDQ-QGZVFWFLSA-N -1 1 323.392 3.685 20 30 DHEDMM C[Si](C)(C)CNC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196329559 1036504856 /nfs/dbraw/zinc/50/48/56/1036504856.db2.gz FPJKBFISVMVIKB-UHFFFAOYSA-N -1 1 324.456 3.538 20 30 DHEDMM N#CCCCOc1cccc(/C=C2\Oc3cc([O-])ccc3C2=O)c1 ZINC000102598684 1036591815 /nfs/dbraw/zinc/59/18/15/1036591815.db2.gz USIJVELVXOEOJE-WQRHYEAKSA-N -1 1 321.332 3.691 20 30 DHEDMM CO[C@H](C(=O)N([O-])Cc1ccccc1Cl)C1CCCCC1 ZINC001184293367 1036806551 /nfs/dbraw/zinc/80/65/51/1036806551.db2.gz QCICRKSTHFUKLZ-HNNXBMFYSA-N -1 1 311.809 3.653 20 30 DHEDMM Cc1ccc(NC(=S)Nc2scc([O-])c2C#N)c(C)c1 ZINC001197966677 1036921173 /nfs/dbraw/zinc/92/11/73/1036921173.db2.gz 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N#Cc1cc([O-])cc(C(=O)Nc2ccc(-c3ccccc3)cn2)c1 ZINC000589169421 1038437739 /nfs/dbraw/zinc/43/77/39/1038437739.db2.gz VNUFWGPAKWUYBB-UHFFFAOYSA-N -1 1 315.332 3.578 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)c1 ZINC000589190010 1038447655 /nfs/dbraw/zinc/44/76/55/1038447655.db2.gz KMYPJRDOTWGJRP-GOSISDBHSA-N -1 1 324.355 3.770 20 30 DHEDMM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589959501 1038559403 /nfs/dbraw/zinc/55/94/03/1038559403.db2.gz MYOLYQRNXJZIQL-BIENJYKASA-N -1 1 320.392 3.671 20 30 DHEDMM Cc1ccc(Cl)cc1N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000590518579 1038661696 /nfs/dbraw/zinc/66/16/96/1038661696.db2.gz NTYIRKJTAFIOHG-UHFFFAOYSA-N -1 1 300.745 3.502 20 30 DHEDMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(CC#N)cc1 ZINC000603973375 1039266308 /nfs/dbraw/zinc/26/63/08/1039266308.db2.gz BWDMYZYVCGVGJS-UHFFFAOYSA-N -1 1 320.801 3.515 20 30 DHEDMM CCc1sc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cc1C ZINC000046706342 1039933586 /nfs/dbraw/zinc/93/35/86/1039933586.db2.gz UVURVWYSGFSXRW-NSHDSACASA-N -1 1 309.394 3.985 20 30 DHEDMM C=C[C@H](CCC(=O)[O-])NCc1csc(-c2ccc(C)cc2)n1 ZINC000417622171 335017456 /nfs/dbraw/zinc/01/74/56/335017456.db2.gz GRVYVSCGDKWTON-CQSZACIVSA-N -1 1 316.426 3.628 20 30 DHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1C(C)C ZINC000172589492 332232169 /nfs/dbraw/zinc/23/21/69/332232169.db2.gz HYJFISUHESVDHE-UHFFFAOYSA-N -1 1 314.410 3.791 20 30 DHEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000179028935 333023380 /nfs/dbraw/zinc/02/33/80/333023380.db2.gz IMPDGYGAVJHYJU-UHFFFAOYSA-N -1 1 322.389 3.821 20 30 DHEDMM C#CCCCCC(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182930952 333181577 /nfs/dbraw/zinc/18/15/77/333181577.db2.gz JVCXSBQHKDMYRP-UHFFFAOYSA-N -1 1 310.191 3.595 20 30 DHEDMM N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(C(=O)[O-])cc1 ZINC000414638448 334049921 /nfs/dbraw/zinc/04/99/21/334049921.db2.gz OAKUDDCOJNKPPH-MOPGFXCFSA-N -1 1 320.392 3.657 20 30 DHEDMM CN(Cc1cccc2ccccc21)C(=O)c1ccc(C#N)c([O-])c1 ZINC000190129690 334921448 /nfs/dbraw/zinc/92/14/48/334921448.db2.gz OFMXYBUVPCARGN-UHFFFAOYSA-N -1 1 316.360 3.689 20 30 DHEDMM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000114061387 335789775 /nfs/dbraw/zinc/78/97/75/335789775.db2.gz YHDQQLSDDLHEAQ-UHFFFAOYSA-N -1 1 314.410 3.538 20 30 DHEDMM N#Cc1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)ccc1F ZINC000190961204 337291717 /nfs/dbraw/zinc/29/17/17/337291717.db2.gz OICDDAJZJLTTMC-UHFFFAOYSA-N -1 1 305.696 3.700 20 30 DHEDMM N#CCc1cccc(-c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445450896 338015776 /nfs/dbraw/zinc/01/57/76/338015776.db2.gz YBSYDPQIXONBDR-UHFFFAOYSA-N -1 1 311.728 3.829 20 30 DHEDMM C=CCN(CC(F)(F)F)C(=O)c1ccc2ccccc2c1[O-] ZINC000436541149 338276139 /nfs/dbraw/zinc/27/61/39/338276139.db2.gz TXMJOJSOFUDFEY-UHFFFAOYSA-N -1 1 309.287 3.736 20 30 DHEDMM CC#CCCCc1nc(-c2cc(Cl)c([O-])c(OCC)c2)no1 ZINC000436868157 338290689 /nfs/dbraw/zinc/29/06/89/338290689.db2.gz GYWYAZAEGIBWQI-UHFFFAOYSA-N -1 1 320.776 3.840 20 30 DHEDMM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000464191767 339136389 /nfs/dbraw/zinc/13/63/89/339136389.db2.gz JUFHXXVXGHSNFF-SNVBAGLBSA-N -1 1 305.802 3.502 20 30 DHEDMM CC(C)[C@H]1C[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)c2ccccc21 ZINC000469099337 339280195 /nfs/dbraw/zinc/28/01/95/339280195.db2.gz URMRDGCRNSACFY-QZTJIDSGSA-N -1 1 320.392 3.878 20 30 DHEDMM Cc1nc(SCc2ccccc2C(C)(C)C#N)[n-]c(=O)c1C ZINC000540713224 340942834 /nfs/dbraw/zinc/94/28/34/340942834.db2.gz NZNQGJXQPKQFSK-UHFFFAOYSA-N -1 1 313.426 3.893 20 30 DHEDMM CC1(C)CN(C(=O)c2ccc(C#N)c([O-])c2)[C@H]1c1cccs1 ZINC000574114080 341749067 /nfs/dbraw/zinc/74/90/67/341749067.db2.gz UKXJHNTVLQPWIE-HNNXBMFYSA-N -1 1 312.394 3.549 20 30 DHEDMM Cc1ccc([N-]N=Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)[nH+]c1 ZINC000738632526 600055901 /nfs/dbraw/zinc/05/59/01/600055901.db2.gz GCJOTVJVZFSQSH-UHFFFAOYSA-N -1 1 321.336 3.794 20 30 DHEDMM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1Cl ZINC000736660696 600562291 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1035803505 /nfs/dbraw/zinc/80/35/05/1035803505.db2.gz OJNFNZCXNPNMPR-AWEZNQCLSA-N -1 1 312.413 3.696 20 30 DHEDMM N#Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)cc1[O-] ZINC000443345428 1036093523 /nfs/dbraw/zinc/09/35/23/1036093523.db2.gz KOOCPQQFCARKNN-ROUUACIJSA-N -1 1 320.392 3.720 20 30 DHEDMM C#Cc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1F ZINC001195169697 1036170761 /nfs/dbraw/zinc/17/07/61/1036170761.db2.gz UZOWWOUFSFNLON-UHFFFAOYSA-N -1 1 317.385 3.731 20 30 DHEDMM N#Cc1ccc(NC(=O)c2cc(Cl)c(Cl)s2)c([O-])c1 ZINC001195176914 1036173319 /nfs/dbraw/zinc/17/33/19/1036173319.db2.gz RSQJRPMGGVHVCQ-UHFFFAOYSA-N -1 1 313.165 3.884 20 30 DHEDMM N#Cc1ccc(NC(=O)c2cc(-c3ccccc3)c[nH]2)c([O-])c1 ZINC001195650150 1036310010 /nfs/dbraw/zinc/31/00/10/1036310010.db2.gz CUYKBGCMTWEWLE-UHFFFAOYSA-N -1 1 303.321 3.511 20 30 DHEDMM N#CCCCCCC(=O)Nc1cccc([O-])c1Br ZINC000908707405 1036487184 /nfs/dbraw/zinc/48/71/84/1036487184.db2.gz HDYVSKHEXCCQQN-UHFFFAOYSA-N -1 1 311.179 3.567 20 30 DHEDMM CC(C)[C@@H](C)NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196297589 1036499952 /nfs/dbraw/zinc/49/99/52/1036499952.db2.gz OIGLDEGNJJRLRU-CYBMUJFWSA-N -1 1 308.381 3.705 20 30 DHEDMM N#Cc1cccc(NC(=S)Nc2ccc(Cl)cc2[O-])c1 ZINC001197712840 1036852097 /nfs/dbraw/zinc/85/20/97/1036852097.db2.gz WLSRBOPSMAEVOC-UHFFFAOYSA-N -1 1 303.774 3.726 20 30 DHEDMM Cc1cccc(Cl)c1NC(=O)Nc1c([O-])cccc1C#N ZINC001184542180 1036866490 /nfs/dbraw/zinc/86/64/90/1036866490.db2.gz ZLESVGAGHPXKBD-UHFFFAOYSA-N -1 1 301.733 3.870 20 30 DHEDMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1 ZINC000488257070 1036923399 /nfs/dbraw/zinc/92/33/99/1036923399.db2.gz QTIDPHQSFBRRKU-UHFFFAOYSA-N -1 1 320.801 3.575 20 30 DHEDMM O=C1c2ccc([O-])cc2C/C1=C/c1ccc(Cl)nc1Cl ZINC000761486124 1037097488 /nfs/dbraw/zinc/09/74/88/1037097488.db2.gz NEFKRQBLUSMVTR-YHYXMXQVSA-N -1 1 306.148 3.916 20 30 DHEDMM COc1ccc2oc(/C=C3\Oc4cc([O-])ccc4C3=O)cc2c1 ZINC000763290471 1037559439 /nfs/dbraw/zinc/55/94/39/1037559439.db2.gz PZYBXWAGNZMTSQ-MFOYZWKCSA-N -1 1 308.289 3.763 20 30 DHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1C#N ZINC001201288283 1037586918 /nfs/dbraw/zinc/58/69/18/1037586918.db2.gz XMHZBOPIGHUBIA-UHFFFAOYSA-N -1 1 320.801 3.629 20 30 DHEDMM N#Cc1c(Cl)nsc1NCc1cccc(Cl)c1[O-] ZINC001187861693 1037741406 /nfs/dbraw/zinc/74/14/06/1037741406.db2.gz PAOBRQYUAXJMGS-UHFFFAOYSA-N -1 1 300.170 3.639 20 30 DHEDMM Cc1cc(C(=O)Nc2ccc(C#N)cc2[O-])c(-n2cccc2)s1 ZINC001189304777 1038121847 /nfs/dbraw/zinc/12/18/47/1038121847.db2.gz UFYTXCOMFZDAQX-UHFFFAOYSA-N -1 1 323.377 3.677 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)NCc2cccc(Cl)c2Cl)c1 ZINC000589168320 1038437820 /nfs/dbraw/zinc/43/78/20/1038437820.db2.gz IVKRVCXPEIUTMQ-UHFFFAOYSA-N -1 1 321.163 3.501 20 30 DHEDMM CC(C)CN(Cc1ccccc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589182211 1038444628 /nfs/dbraw/zinc/44/46/28/1038444628.db2.gz UVVBKRCBWMZFMO-UHFFFAOYSA-N -1 1 308.381 3.562 20 30 DHEDMM CC[C@H](Cc1ccccc1)N(CC)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589189868 1038447602 /nfs/dbraw/zinc/44/76/02/1038447602.db2.gz WXYCEVZVXDATJQ-GOSISDBHSA-N -1 1 322.408 3.747 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H](CC2CCC2)c2ccccc2)c1 ZINC000589197993 1038449298 /nfs/dbraw/zinc/44/92/98/1038449298.db2.gz JUHJZEWAROCXSC-IBGZPJMESA-N -1 1 320.392 3.925 20 30 DHEDMM C#Cc1ccccc1[N-]S(=O)(=O)c1ccc(CCCC)cc1 ZINC001191248775 1038477082 /nfs/dbraw/zinc/47/70/82/1038477082.db2.gz IUAPFVWXXSUNTI-UHFFFAOYSA-N -1 1 313.422 3.811 20 30 DHEDMM CC1(C)CCN(C(=O)c2cc([O-])cc(C#N)c2)c2ccccc21 ZINC000589529066 1038500259 /nfs/dbraw/zinc/50/02/59/1038500259.db2.gz DARVFRRYRNENOH-UHFFFAOYSA-N -1 1 306.365 3.592 20 30 DHEDMM C[C@@H](C1CC1)N(C(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000601714108 1040751339 /nfs/dbraw/zinc/75/13/39/1040751339.db2.gz HIVGQHSNDDPZEI-ZDUSSCGKSA-N -1 1 306.365 3.709 20 30 DHEDMM CCc1c(-c2cccc(C(F)(F)F)c2)[n-]n([C@H](C)CC#N)c1=O ZINC000601934486 1040829140 /nfs/dbraw/zinc/82/91/40/1040829140.db2.gz BIVGXHFUCCKDJO-MFKMUULPSA-N -1 1 323.318 3.580 20 30 DHEDMM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc(C#N)c([O-])c2)o1 ZINC000188598800 200273639 /nfs/dbraw/zinc/27/36/39/200273639.db2.gz BSRQPCSLBAMGHX-WBMJQRKESA-N -1 1 324.380 3.779 20 30 DHEDMM Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc(C#N)c([O-])c2)o1 ZINC000188529037 200261693 /nfs/dbraw/zinc/26/16/93/200261693.db2.gz BJENLXXQDAQUHQ-HNNXBMFYSA-N -1 1 310.353 3.533 20 30 DHEDMM N#Cc1ccc(/C=C\c2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445483785 332120034 /nfs/dbraw/zinc/12/00/34/332120034.db2.gz WUPQDDOYDGXRQB-YVMONPNESA-N -1 1 307.284 3.623 20 30 DHEDMM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1 ZINC000427105350 332167492 /nfs/dbraw/zinc/16/74/92/332167492.db2.gz XULNLEYWEHUOST-UHFFFAOYSA-N -1 1 318.373 3.622 20 30 DHEDMM N#Cc1ccc(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)cc1[O-] ZINC000188278405 334672181 /nfs/dbraw/zinc/67/21/81/334672181.db2.gz AASYDIAURVDAPN-SFHVURJKSA-N -1 1 324.355 3.674 20 30 DHEDMM CC(C)C[C@@H]1C[C@H](NC(=O)c2cc(Cl)ccc2[O-])CCO1 ZINC000331245300 334850423 /nfs/dbraw/zinc/85/04/23/334850423.db2.gz TZEZVODWOUZMID-CHWSQXEVSA-N -1 1 311.809 3.944 20 30 DHEDMM CC[C@@H](CN(CC)C(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000189223421 334886546 /nfs/dbraw/zinc/88/65/46/334886546.db2.gz IOILDZBVMCDRDE-HNNXBMFYSA-N -1 1 322.408 3.920 20 30 DHEDMM Cc1csc([N-]C(=O)c2occc2Br)c1C#N ZINC000344931751 335286112 /nfs/dbraw/zinc/28/61/12/335286112.db2.gz SWLKDVIABIPYIT-UHFFFAOYSA-N -1 1 311.160 3.536 20 30 DHEDMM Cc1cc(C(=O)[N-]c2sc3c(c2C#N)C[C@H](C)C[C@@H]3C)on1 ZINC000331760649 336147670 /nfs/dbraw/zinc/14/76/70/336147670.db2.gz KFMIYGCHULHZCS-BDAKNGLRSA-N -1 1 315.398 3.854 20 30 DHEDMM CSc1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cc1 ZINC000122051173 336991376 /nfs/dbraw/zinc/99/13/76/336991376.db2.gz CJUFGGAYSJXFQW-ZDUSSCGKSA-N -1 1 307.378 3.775 20 30 DHEDMM CC(C)c1csc(C(C#N)=C([O-])c2cc(C(C)C)nn2C)n1 ZINC000177750826 337157218 /nfs/dbraw/zinc/15/72/18/337157218.db2.gz SUDPARVVSUJFTR-LLVKDONJSA-N -1 1 316.430 3.613 20 30 DHEDMM C[C@@H](c1nc(-c2ccc([O-])c(F)c2)no1)c1cccc(C#N)c1 ZINC000436653578 338281603 /nfs/dbraw/zinc/28/16/03/338281603.db2.gz BABWSYROEHDLHQ-SNVBAGLBSA-N -1 1 309.300 3.605 20 30 DHEDMM N#C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1ccc(F)cc1 ZINC000436758797 338285951 /nfs/dbraw/zinc/28/59/51/338285951.db2.gz OVJLDJTYLQVHKW-QGZVFWFLSA-N -1 1 320.323 3.679 20 30 DHEDMM CCN(C(=O)c1ccc(C#N)c([O-])c1)[C@H](C)c1ccc(F)cc1 ZINC000442733766 338429332 /nfs/dbraw/zinc/42/93/32/338429332.db2.gz BXQJBEDXLCZIQV-GFCCVEGCSA-N -1 1 312.344 3.626 20 30 DHEDMM CC(C)(C#N)CCCSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000476455294 339476724 /nfs/dbraw/zinc/47/67/24/339476724.db2.gz CYMDKALZTFNIEY-UHFFFAOYSA-N -1 1 305.325 3.623 20 30 DHEDMM Cc1nc(C2CC2)oc1C([O-])=C(C#N)c1nc2cccc(C)c2[nH]1 ZINC000546157473 341155001 /nfs/dbraw/zinc/15/50/01/341155001.db2.gz ZBBRUGSYOKROOK-GFCCVEGCSA-N -1 1 320.352 3.535 20 30 DHEDMM CN(Cc1cccc(C#N)c1)C(=O)c1ccc2ccccc2c1[O-] ZINC000078270188 341239375 /nfs/dbraw/zinc/23/93/75/341239375.db2.gz DGZJKEYWBSBXHQ-UHFFFAOYSA-N -1 1 316.360 3.689 20 30 DHEDMM N#Cc1ccc(C(=O)N2CC3(CCC3)[C@H]2c2ccccc2)cc1[O-] ZINC000548785555 341275532 /nfs/dbraw/zinc/27/55/32/341275532.db2.gz UXBNXMZKQKJRKZ-GOSISDBHSA-N -1 1 318.376 3.631 20 30 DHEDMM CC(C)(C)c1cc([N-]C(=O)c2ncc(F)cc2F)c(C#N)s1 ZINC000190507590 519006225 /nfs/dbraw/zinc/00/62/25/519006225.db2.gz SAWPVOZXALYQCC-UHFFFAOYSA-N -1 1 321.352 3.843 20 30 DHEDMM C#CCN(Cc1ccc(C(=O)[O-])c(F)c1)[C@@H]1CCc2ccccc21 ZINC000825614662 601619443 /nfs/dbraw/zinc/61/94/43/601619443.db2.gz TYWWNJIOJCOELQ-LJQANCHMSA-N -1 1 323.367 3.647 20 30 DHEDMM Cc1ccc(C(C)N=Nc2ccc(C(=O)[O-])c(Cl)c2)c(O)c1 ZINC000833386825 605156057 /nfs/dbraw/zinc/15/60/57/605156057.db2.gz XPBXLDAZTTYRBN-UHFFFAOYSA-N -1 1 318.760 3.888 20 30 DHEDMM CC#Cc1cncc(Nc2ccc(F)c(Br)c2[O-])c1 ZINC001211062056 1014124398 /nfs/dbraw/zinc/12/43/98/1014124398.db2.gz MNFFCXYBBBJDFD-UHFFFAOYSA-N -1 1 321.149 3.804 20 30 DHEDMM Cc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)cc(C)c1Cl ZINC000442215380 1014648051 /nfs/dbraw/zinc/64/80/51/1014648051.db2.gz DEWRUMASKGOKBJ-UHFFFAOYSA-N -1 1 320.801 3.629 20 30 DHEDMM CC(C)(C)CN(CCC#N)Cc1c2ccccc2[nH]c1C(=O)[O-] ZINC001589780225 988149710 /nfs/dbraw/zinc/14/97/10/988149710.db2.gz UFFMECNVFMPFKE-UHFFFAOYSA-N -1 1 313.401 3.628 20 30 DHEDMM O=C(C=Cc1c[nH]nc1-c1ccccc1F)c1cc(O)ccc1[O-] ZINC000255371350 1015447766 /nfs/dbraw/zinc/44/77/66/1015447766.db2.gz MAJQICPACFWJGS-ALCCZGGFSA-N -1 1 324.311 3.523 20 30 DHEDMM CC(C)CC(=NNc1ccc(C(=O)[O-])c(F)c1)c1ccccn1 ZINC001591104833 991730639 /nfs/dbraw/zinc/73/06/39/991730639.db2.gz KWTROGVFPBBNPE-UHFFFAOYSA-N -1 1 315.348 3.781 20 30 DHEDMM C[C@@H](NCc1cc(C(=O)[O-])ccc1Cl)c1cccc(C#N)c1 ZINC001593289416 994663537 /nfs/dbraw/zinc/66/35/37/994663537.db2.gz SOKWDNVNYQTMDW-LLVKDONJSA-N -1 1 314.772 3.761 20 30 DHEDMM COCCCOc1cccc(/C=C2/Cc3cc([O-])ccc3C2=O)c1 ZINC000588535138 1017054936 /nfs/dbraw/zinc/05/49/36/1017054936.db2.gz LXRSAUOCGFXSRF-YBEGLDIGSA-N -1 1 324.376 3.630 20 30 DHEDMM Cn1cc(/C=C2/Cc3cc([O-])ccc3C2=O)c(-c2ccccc2)n1 ZINC000588535079 1017061503 /nfs/dbraw/zinc/06/15/03/1017061503.db2.gz HWBUDMCZOVPJMC-GDNBJRDFSA-N -1 1 316.360 3.615 20 30 DHEDMM C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000342763371 1017192684 /nfs/dbraw/zinc/19/26/84/1017192684.db2.gz ZJSBIMPSFFWZNG-RDTXWAMCSA-N -1 1 320.392 3.877 20 30 DHEDMM N#Cc1csc(-c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445443974 1017865603 /nfs/dbraw/zinc/86/56/03/1017865603.db2.gz DLJAKFMYBABUJA-UHFFFAOYSA-N -1 1 303.730 3.696 20 30 DHEDMM CC(=O)CC(C)(C)Nc1cc(/C=N/[O-])cc(C(F)(F)F)c1 ZINC001171502227 1032757265 /nfs/dbraw/zinc/75/72/65/1032757265.db2.gz AWBATZSZBSUQOS-QGMBQPNBSA-N -1 1 302.296 3.683 20 30 DHEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(OC(C)(C)C)cc1 ZINC000764891855 1018413866 /nfs/dbraw/zinc/41/38/66/1018413866.db2.gz OYSDOMKIHJXVRU-UHFFFAOYSA-N -1 1 314.389 3.504 20 30 DHEDMM Cn1cc(Cl)cc1C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000647374131 1020223339 /nfs/dbraw/zinc/22/33/39/1020223339.db2.gz WVYHOPZBNYDGQN-SNVBAGLBSA-N -1 1 305.790 3.502 20 30 DHEDMM CCn1c(C)cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1C ZINC000647376760 1020229865 /nfs/dbraw/zinc/22/98/65/1020229865.db2.gz YSKRNAPEANXCDA-AWEZNQCLSA-N -1 1 313.426 3.949 20 30 DHEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1c(F)cccc1Cl ZINC000188611747 1020782712 /nfs/dbraw/zinc/78/27/12/1020782712.db2.gz WKWCDBUIWLHZCT-SECBINFHSA-N -1 1 318.735 3.547 20 30 DHEDMM CCN(c1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1)C(C)C ZINC000776327233 1021286358 /nfs/dbraw/zinc/28/63/58/1021286358.db2.gz HWIRLENQFUHTOK-UHFFFAOYSA-N -1 1 323.396 3.751 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc3cccc(Cl)c3n2)c1 ZINC000618937044 1021578160 /nfs/dbraw/zinc/57/81/60/1021578160.db2.gz JFMKOZUYEGCVQF-UHFFFAOYSA-N -1 1 323.739 3.718 20 30 DHEDMM N#CC(=C([O-])c1ccc(CF)cc1)c1nc(C2CC2)cs1 ZINC000851100896 1021738662 /nfs/dbraw/zinc/73/86/62/1021738662.db2.gz QJPBSVWPAVIQDZ-ZDUSSCGKSA-N -1 1 300.358 3.980 20 30 DHEDMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619461186 1021761951 /nfs/dbraw/zinc/76/19/51/1021761951.db2.gz QWFJYGOJKVJUAA-UHFFFAOYSA-N -1 1 320.801 3.515 20 30 DHEDMM O=C([O-])c1ccccc1N=NCc1ccccc1OCC1CC1 ZINC000920368150 1022110290 /nfs/dbraw/zinc/11/02/90/1022110290.db2.gz HHCSEFHCJFVXQE-UHFFFAOYSA-N -1 1 310.353 3.620 20 30 DHEDMM COc1ccc([O-])c(C(=O)/C=C/c2cc(F)c(F)cc2F)c1 ZINC000767729034 1022790857 /nfs/dbraw/zinc/79/08/57/1022790857.db2.gz JJUJNLOHPZVHED-DUXPYHPUSA-N -1 1 308.255 3.714 20 30 DHEDMM O=C1c2ccc([O-])cc2CC/C1=C\c1cnn(-c2ccccc2)c1 ZINC000072079824 1022886121 /nfs/dbraw/zinc/88/61/21/1022886121.db2.gz ZMAMFKPFUHKKLB-MHWRWJLKSA-N -1 1 316.360 3.790 20 30 DHEDMM Cc1ccc(/C=C2\CCc3cc([O-])ccc3C2=O)cc1[N+](=O)[O-] ZINC000072079825 1022887583 /nfs/dbraw/zinc/88/75/83/1022887583.db2.gz UVVJPECHFHOXAY-RIYZIHGNSA-N -1 1 309.321 3.821 20 30 DHEDMM N#C[C@H](NC(=O)c1c([O-])cccc1Cl)c1ccc(Cl)cc1 ZINC000769774644 1023204921 /nfs/dbraw/zinc/20/49/21/1023204921.db2.gz CSMCKICZNRJGHR-LBPRGKRZSA-N -1 1 321.163 3.694 20 30 DHEDMM CC[C@H](Nc1ccc(OC)c(OC)c1)c1cccc(C#N)c1[O-] ZINC000925724436 1023568101 /nfs/dbraw/zinc/56/81/01/1023568101.db2.gz AYYGGPXLXNUFPO-HNNXBMFYSA-N -1 1 312.369 3.844 20 30 DHEDMM COc1ccc2nc(/C=C3/Cc4cc([O-])ccc4C3=O)sc2c1 ZINC000788734004 1023932502 /nfs/dbraw/zinc/93/25/02/1023932502.db2.gz WUTCJHOORNLXRM-FLIBITNWSA-N -1 1 323.373 3.833 20 30 DHEDMM CC(C)[C@@H](C#N)c1ccc(NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001170323319 1024741041 /nfs/dbraw/zinc/74/10/41/1024741041.db2.gz WOGQSBOQYOJWHJ-MRXNPFEDSA-N -1 1 324.380 3.656 20 30 DHEDMM C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632545114 1024791377 /nfs/dbraw/zinc/79/13/77/1024791377.db2.gz VWRJBBFOUJRKML-WDEREUQCSA-N -1 1 319.373 3.630 20 30 DHEDMM CC(C)(C)c1ncc(/C=C2\Oc3cc([O-])ccc3C2=O)s1 ZINC000134288697 1025062787 /nfs/dbraw/zinc/06/27/87/1025062787.db2.gz WNAMCDMKLPLSCG-QPEQYQDCSA-N -1 1 301.367 3.762 20 30 DHEDMM N#C[C@]1(C(=O)Nc2cc(F)c([O-])cc2Cl)CC2CCC1CC2 ZINC000885683021 1025380556 /nfs/dbraw/zinc/38/05/56/1025380556.db2.gz YZVFOPDXKWUWRK-UDUZUONDSA-N -1 1 322.767 3.843 20 30 DHEDMM C=C1CCC(CNC(=O)c2ccc(Br)cc2[O-])CC1 ZINC000724456470 1025413923 /nfs/dbraw/zinc/41/39/23/1025413923.db2.gz JUBUMFSCASUWKY-UHFFFAOYSA-N -1 1 324.218 3.631 20 30 DHEDMM CC(C)c1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)nc1 ZINC000355113773 1025607638 /nfs/dbraw/zinc/60/76/38/1025607638.db2.gz HVCZZLAZAPKDKR-AWEZNQCLSA-N -1 1 318.380 3.582 20 30 DHEDMM C#C[C@@H]([N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)c1ccccc1 ZINC001130322544 1025637710 /nfs/dbraw/zinc/63/77/10/1025637710.db2.gz ONSDSOFQOZKDCK-OAHLLOKOSA-N -1 1 321.273 3.547 20 30 DHEDMM Cc1csc(C(C#N)=C([O-])c2ccc(N3CCC(C)=N3)cc2)n1 ZINC000048789105 1025677859 /nfs/dbraw/zinc/67/78/59/1025677859.db2.gz GFTGWSTWVKXADG-HNNXBMFYSA-N -1 1 324.409 3.528 20 30 DHEDMM CCc1c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)ccn1C ZINC000355510432 1025749970 /nfs/dbraw/zinc/74/99/70/1025749970.db2.gz NJDGAAGOPKGHPY-GFCCVEGCSA-N -1 1 315.442 3.832 20 30 DHEDMM CN(Cc1ccc2ccccc2c1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614293007 1026044443 /nfs/dbraw/zinc/04/44/43/1026044443.db2.gz NNOKKAUAKMZGOA-UHFFFAOYSA-N -1 1 316.360 3.689 20 30 DHEDMM CC(=NNc1ccc([N+](=O)[O-])cc1C)c1ccc(F)cc1[O-] ZINC000807988670 1026163922 /nfs/dbraw/zinc/16/39/22/1026163922.db2.gz GXDSIDUPOYIJRV-UHFFFAOYSA-N -1 1 303.293 3.584 20 30 DHEDMM CC(C)CCN(CCC(C)C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614361255 1026248881 /nfs/dbraw/zinc/24/88/81/1026248881.db2.gz RCTFITMYJTYWOG-UHFFFAOYSA-N -1 1 302.418 3.798 20 30 DHEDMM CC(C)(NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(Cl)cc1 ZINC000614366815 1026258714 /nfs/dbraw/zinc/25/87/14/1026258714.db2.gz GERBIJONXAOHRZ-UHFFFAOYSA-N -1 1 314.772 3.582 20 30 DHEDMM N#Cc1cc([N-]C(=O)c2c(F)ccc(F)c2F)c(F)cc1F ZINC001132690509 1026957967 /nfs/dbraw/zinc/95/79/67/1026957967.db2.gz ZXBLGJZLPLLRMT-UHFFFAOYSA-N -1 1 312.197 3.506 20 30 DHEDMM CC(C)(C)c1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)nc1 ZINC000422117331 1027111795 /nfs/dbraw/zinc/11/17/95/1027111795.db2.gz GCECAEWSKONRBF-ZDUSSCGKSA-N -1 1 318.380 3.745 20 30 DHEDMM CC(=NOCCOC(C)C)c1cc(Cl)c(Cl)cc1[O-] ZINC000812237501 1027218950 /nfs/dbraw/zinc/21/89/50/1027218950.db2.gz DFGGUEXLTOEUSF-UHFFFAOYSA-N -1 1 306.189 3.865 20 30 DHEDMM N#CC(=C([O-])C=Cc1ccccc1)c1cc(C(F)(F)F)ccn1 ZINC000813215956 1027564158 /nfs/dbraw/zinc/56/41/58/1027564158.db2.gz DBDGTWNNUONNIS-PSKZRQQASA-N -1 1 316.282 3.990 20 30 DHEDMM N#C[C@@H](CCc1ccccc1)Sc1nc(C(F)F)cc(=O)[n-]1 ZINC000601082980 1027974910 /nfs/dbraw/zinc/97/49/10/1027974910.db2.gz XHHIOOJZEKRUPY-LLVKDONJSA-N -1 1 321.352 3.737 20 30 DHEDMM C[C@@H](Nc1cccc2c1OCCCO2)c1cccc(C#N)c1[O-] ZINC000866619237 1030409911 /nfs/dbraw/zinc/40/99/11/1030409911.db2.gz PZJIKCHVACRJAB-GFCCVEGCSA-N -1 1 310.353 3.598 20 30 DHEDMM N#Cc1ccc([O-])c(Nc2cccc(C(=O)C(F)(F)F)c2)c1 ZINC001203344911 1033581529 /nfs/dbraw/zinc/58/15/29/1033581529.db2.gz RVKQJHKGWILZET-UHFFFAOYSA-N -1 1 306.243 3.752 20 30 DHEDMM COc1ccc(/C=C2\Cc3cc([O-])ccc3C2=O)cc1OC1CC1 ZINC000863187784 1034015833 /nfs/dbraw/zinc/01/58/33/1034015833.db2.gz FPVDEVVPSCNLQT-RIYZIHGNSA-N -1 1 322.360 3.764 20 30 DHEDMM O=C(/C=C/c1ccc([O-])c(Cl)c1)c1cnn(C2CCC2)c1 ZINC000899408389 1034646959 /nfs/dbraw/zinc/64/69/59/1034646959.db2.gz ZHAHRNXQWDFVAA-GQCTYLIASA-N -1 1 302.761 3.863 20 30 DHEDMM C[C@@H](CN(C)C(=O)c1cc([O-])cc(C#N)c1)C1CCCCC1 ZINC000600475373 1034936174 /nfs/dbraw/zinc/93/61/74/1034936174.db2.gz IOUFVBRUHJTPQH-ZDUSSCGKSA-N -1 1 300.402 3.552 20 30 DHEDMM C[C@H](C#N)S(=O)(=O)[N-]c1ccc(-c2ccccc2)c(Cl)c1 ZINC001193158055 1035580706 /nfs/dbraw/zinc/58/07/06/1035580706.db2.gz KZFUTDZXOSXZBX-LLVKDONJSA-N -1 1 320.801 3.661 20 30 DHEDMM C[C@H](C#N)S(=O)(=O)[N-]c1c(Cl)cccc1-c1ccccc1 ZINC001193158447 1035581198 /nfs/dbraw/zinc/58/11/98/1035581198.db2.gz PSPFRJFNLMHTIW-LLVKDONJSA-N -1 1 320.801 3.661 20 30 DHEDMM CCCCCCC[C@H](C)C(=O)N([O-])C(=N)c1ccccc1N ZINC001181120346 1035841565 /nfs/dbraw/zinc/84/15/65/1035841565.db2.gz HWFTUMJZFFHZDX-ZDUSSCGKSA-N -1 1 305.422 3.809 20 30 DHEDMM CCCCCCC[C@@H](C)C(=O)N([O-])C(=N)c1ccccc1N ZINC001181120343 1035842376 /nfs/dbraw/zinc/84/23/76/1035842376.db2.gz HWFTUMJZFFHZDX-CYBMUJFWSA-N -1 1 305.422 3.809 20 30 DHEDMM Cc1ccc([C@H]2CCCN2C(=O)c2ccc(C#N)c([O-])c2)cc1C ZINC000443348075 1036095623 /nfs/dbraw/zinc/09/56/23/1036095623.db2.gz QFJGMTPPKZVUGS-GOSISDBHSA-N -1 1 320.392 3.858 20 30 DHEDMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(CC#N)c2)c1 ZINC001195159935 1036164911 /nfs/dbraw/zinc/16/49/11/1036164911.db2.gz XSLNEIMANUJRQG-UHFFFAOYSA-N -1 1 314.410 3.677 20 30 DHEDMM O=C1C/C(=C\c2ccc([O-])c(Cl)c2)C(=O)c2ccccc2N1 ZINC000774146181 1036197189 /nfs/dbraw/zinc/19/71/89/1036197189.db2.gz SYAGVGVEUDBHAZ-YRNVUSSQSA-N -1 1 313.740 3.654 20 30 DHEDMM Cc1ccc(F)cc1NC(=S)Nc1c([O-])cccc1C#N ZINC001195914052 1036386729 /nfs/dbraw/zinc/38/67/29/1036386729.db2.gz KLJVMGITUSSEMN-UHFFFAOYSA-N -1 1 301.346 3.520 20 30 DHEDMM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000908641863 1036459867 /nfs/dbraw/zinc/45/98/67/1036459867.db2.gz MUNOVJXBMWRHFS-KRWDZBQOSA-N -1 1 323.392 3.685 20 30 DHEDMM C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000908641864 1036459937 /nfs/dbraw/zinc/45/99/37/1036459937.db2.gz MUNOVJXBMWRHFS-QGZVFWFLSA-N -1 1 323.392 3.685 20 30 DHEDMM Cc1cc(OC(C)C)ccc1C(=O)Nc1ccc(C#N)cc1[O-] ZINC001196771711 1036617530 /nfs/dbraw/zinc/61/75/30/1036617530.db2.gz XKLCCYPYOOSXJA-UHFFFAOYSA-N -1 1 310.353 3.612 20 30 DHEDMM N#Cc1cccc([O-])c1NC(=S)Nc1ccc(Cl)cc1 ZINC001197336971 1036761290 /nfs/dbraw/zinc/76/12/90/1036761290.db2.gz RUBDLNXHHGEZLM-UHFFFAOYSA-N -1 1 303.774 3.726 20 30 DHEDMM N#Cc1cccc(NC(=S)Nc2ccc([O-])c(Cl)c2)c1 ZINC001197715197 1036857190 /nfs/dbraw/zinc/85/71/90/1036857190.db2.gz ZVNSRYHPVOIMJU-UHFFFAOYSA-N -1 1 303.774 3.726 20 30 DHEDMM Cc1c(Cl)cccc1NC(=O)Nc1c([O-])cccc1C#N ZINC001184683755 1036937794 /nfs/dbraw/zinc/93/77/94/1036937794.db2.gz XBUCXLXUYXUIFF-UHFFFAOYSA-N -1 1 301.733 3.870 20 30 DHEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(Cl)c3C)nc1-2 ZINC000491034884 1037890217 /nfs/dbraw/zinc/89/02/17/1037890217.db2.gz LBGQPMQKIOBECY-GFCCVEGCSA-N -1 1 324.771 3.718 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H](CC2CC2)c2ccccc2)c1 ZINC000589184317 1038445398 /nfs/dbraw/zinc/44/53/98/1038445398.db2.gz PAWNSXGRELJFLG-SFHVURJKSA-N -1 1 306.365 3.535 20 30 DHEDMM CC(C)C[C@H]1CCCCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589188619 1038445690 /nfs/dbraw/zinc/44/56/90/1038445690.db2.gz BWRLAWQWPZACLA-MRXNPFEDSA-N -1 1 300.402 3.695 20 30 DHEDMM CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589189869 1038446629 /nfs/dbraw/zinc/44/66/29/1038446629.db2.gz WXYCEVZVXDATJQ-SFHVURJKSA-N -1 1 322.408 3.747 20 30 DHEDMM CCC1(CC)CN(C(=O)c2cc([O-])cc(C#N)c2)c2ccccc21 ZINC000589195765 1038447386 /nfs/dbraw/zinc/44/73/86/1038447386.db2.gz KSWXRLXRCAIIGL-UHFFFAOYSA-N -1 1 320.392 3.982 20 30 DHEDMM C[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)c1ccc(C#N)cc1 ZINC000589261717 1038454834 /nfs/dbraw/zinc/45/48/34/1038454834.db2.gz QUBDIQWGINVJND-QMMMGPOBSA-N -1 1 307.325 3.845 20 30 DHEDMM Cc1c(F)ccc(C(=O)Nc2ccc(C#N)cc2[O-])c1Cl ZINC001191372832 1038497680 /nfs/dbraw/zinc/49/76/80/1038497680.db2.gz GAKOFVCVNSGEJW-UHFFFAOYSA-N -1 1 304.708 3.617 20 30 DHEDMM Cc1cc(NC(=O)Nc2ccc([O-])c(C#N)c2)ccc1Cl ZINC001191771555 1038538904 /nfs/dbraw/zinc/53/89/04/1038538904.db2.gz KOMOPWDMNIZAOB-UHFFFAOYSA-N -1 1 301.733 3.870 20 30 DHEDMM CC1(C)CCC[C@H]1[C@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000592875377 1039295678 /nfs/dbraw/zinc/29/56/78/1039295678.db2.gz XATFCFRYTDJCOX-HOTGVXAUSA-N -1 1 312.413 3.552 20 30 DHEDMM CC(C)CCOc1ccccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000594382870 1039768139 /nfs/dbraw/zinc/76/81/39/1039768139.db2.gz QZYRPKOLMLAOPR-UHFFFAOYSA-N -1 1 324.380 3.941 20 30 DHEDMM CC[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1csc(C)c1 ZINC000592899177 1040015171 /nfs/dbraw/zinc/01/51/71/1040015171.db2.gz BMUJBPCPDCAJRZ-HNNXBMFYSA-N -1 1 300.383 3.515 20 30 DHEDMM CC(=NNc1ccccc1C(=O)[O-])c1nc2c(s1)CCCC2 ZINC000761256466 1041047327 /nfs/dbraw/zinc/04/73/27/1041047327.db2.gz VANHJDVWCNKRSG-UHFFFAOYSA-N -1 1 315.398 3.556 20 30 DHEDMM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ccc(C#N)c([O-])c2)o1 ZINC000188598871 200273628 /nfs/dbraw/zinc/27/36/28/200273628.db2.gz BSRQPCSLBAMGHX-BLLLJJGKSA-N -1 1 324.380 3.779 20 30 DHEDMM N#Cc1ccc(C(=O)N2CCC[C@H]2CCc2ccccc2)cc1[O-] ZINC000190759772 335088623 /nfs/dbraw/zinc/08/86/23/335088623.db2.gz WXWRUFZJBSUTOS-SFHVURJKSA-N -1 1 320.392 3.501 20 30 DHEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000179026252 333023743 /nfs/dbraw/zinc/02/37/43/333023743.db2.gz PEZYDJZRVARYHF-UHFFFAOYSA-N -1 1 322.389 3.821 20 30 DHEDMM Cn1cc(-c2cccc(/C=C3\Cc4cc([O-])ccc4C3=O)c2)cn1 ZINC000363992885 333217485 /nfs/dbraw/zinc/21/74/85/333217485.db2.gz BOPCSTRQOVGOCK-LZYBPNLTSA-N -1 1 316.360 3.615 20 30 DHEDMM CC(C)C[C@H]1CCCCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000442973183 338440675 /nfs/dbraw/zinc/44/06/75/338440675.db2.gz NVVHQFYYXNMHQR-MRXNPFEDSA-N -1 1 300.402 3.695 20 30 DHEDMM CCN(C(=O)c1cc(F)ccc1[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000094039124 335704129 /nfs/dbraw/zinc/70/41/29/335704129.db2.gz KHDSTOZOZXQUJC-LBPRGKRZSA-N -1 1 312.344 3.626 20 30 DHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1Cl ZINC000193357109 335836050 /nfs/dbraw/zinc/83/60/50/335836050.db2.gz CXGUORGTSBQZOL-UHFFFAOYSA-N -1 1 320.801 3.515 20 30 DHEDMM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)sc1C ZINC000122264375 337000531 /nfs/dbraw/zinc/00/05/31/337000531.db2.gz QVVRUUOZQIENEW-LBPRGKRZSA-N -1 1 309.394 3.742 20 30 DHEDMM N#Cc1cccc(/C=C\c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000445461859 338023786 /nfs/dbraw/zinc/02/37/86/338023786.db2.gz IPQBFNBOGWNTMO-DAXSKMNVSA-N -1 1 307.284 3.623 20 30 DHEDMM N#CC[C@H](Cc1nc(-c2ccc([O-])c(F)c2)no1)c1ccccc1 ZINC000436876051 338291080 /nfs/dbraw/zinc/29/10/80/338291080.db2.gz WLUIOQGJEJODIE-CYBMUJFWSA-N -1 1 323.327 3.821 20 30 DHEDMM N#CC[C@@H](Cc1nc(-c2ccc([O-])cc2F)no1)c1ccccc1 ZINC000436877892 338291292 /nfs/dbraw/zinc/29/12/92/338291292.db2.gz IGOWICNZLGELME-ZDUSSCGKSA-N -1 1 323.327 3.821 20 30 DHEDMM N#CCCC[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccccc1 ZINC000436927092 338293769 /nfs/dbraw/zinc/29/37/69/338293769.db2.gz OIEKUSYNJJWGHO-MRXNPFEDSA-N -1 1 312.344 3.696 20 30 DHEDMM N#Cc1ccc(C(=O)N[C@H]2CCC[C@H](c3ccccc3)C2)cc1[O-] ZINC000490175572 339827976 /nfs/dbraw/zinc/82/79/76/339827976.db2.gz FQHBKHMMICDZQC-YJBOKZPZSA-N -1 1 320.392 3.720 20 30 DHEDMM CCOc1ccc(C#N)cc1NCc1cccc([O-])c1Cl ZINC000512257374 340354543 /nfs/dbraw/zinc/35/45/43/340354543.db2.gz FIFFDHHUQMMDES-UHFFFAOYSA-N -1 1 302.761 3.928 20 30 DHEDMM N#CC(=C([O-])c1ccccc1OC1CCCCC1)c1ccncn1 ZINC000544816333 341094749 /nfs/dbraw/zinc/09/47/49/341094749.db2.gz NINDXTASLVOHSL-INIZCTEOSA-N -1 1 321.380 3.678 20 30 DHEDMM CN(CC#Cc1ccc(Cl)cc1)Cc1ccc(C(=O)[O-])cc1 ZINC000830660807 601412408 /nfs/dbraw/zinc/41/24/08/601412408.db2.gz GKYVPMVOVBLALY-UHFFFAOYSA-N -1 1 313.784 3.522 20 30 DHEDMM C=CCN(Cc1ccc(C(=O)[O-])s1)Cc1cccc(C#N)c1 ZINC000825681923 601945312 /nfs/dbraw/zinc/94/53/12/601945312.db2.gz MOBXYKNMQPNBNL-UHFFFAOYSA-N -1 1 312.394 3.506 20 30 DHEDMM Cc1nn(C(C)C)c(C)c1C(C)N=Nc1ccccc1C(=O)[O-] ZINC000746488252 605099561 /nfs/dbraw/zinc/09/95/61/605099561.db2.gz FGHHNDAWZFNKEK-UHFFFAOYSA-N -1 1 314.389 3.615 20 30 DHEDMM CC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)c1cccc(O)c1 ZINC000833386824 605155882 /nfs/dbraw/zinc/15/58/82/605155882.db2.gz XMDHXZGVWKHLLP-UHFFFAOYSA-N -1 1 304.733 3.580 20 30 DHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(Cl)s1 ZINC000822922234 606388114 /nfs/dbraw/zinc/38/81/14/606388114.db2.gz DTNDRFFZWGBKFA-HNQUOIGGSA-N -1 1 322.802 3.539 20 30 DHEDMM Cc1cccc2c1[C@H](C)C(=Cc1ccc(-c3nn[n-]n3)s1)C2=O ZINC000826305123 608318242 /nfs/dbraw/zinc/31/82/42/608318242.db2.gz LNGJEXOGGMPVPH-GARZTLJTSA-N -1 1 322.393 3.620 20 30 DHEDMM Cc1cccc2c1[C@H](C)C(=Cc1ccc(-c3nn[n-]n3)s1)C2=O ZINC000826305124 608318292 /nfs/dbraw/zinc/31/82/92/608318292.db2.gz LNGJEXOGGMPVPH-SEEODLKFSA-N -1 1 322.393 3.620 20 30 DHEDMM Cc1cccc2c1[C@@H](C)C(=Cc1ccc(-c3nn[n-]n3)s1)C2=O ZINC000826305122 608318424 /nfs/dbraw/zinc/31/84/24/608318424.db2.gz LNGJEXOGGMPVPH-AAIQCTMTSA-N -1 1 322.393 3.620 20 30 DHEDMM CCCCCCCNC(=O)c1cc(Br)ccc1[O-] ZINC000705862284 1013357871 /nfs/dbraw/zinc/35/78/71/1013357871.db2.gz QGEXSQHSXGLCBK-UHFFFAOYSA-N -1 1 314.223 3.855 20 30 DHEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1occc1-c1ccccc1 ZINC000078312908 1013510290 /nfs/dbraw/zinc/51/02/90/1013510290.db2.gz HKNOUYKEJDVBCX-UHFFFAOYSA-N -1 1 322.246 3.720 20 30 DHEDMM C=C(C)c1cccc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)c1 ZINC000890891321 1013585844 /nfs/dbraw/zinc/58/58/44/1013585844.db2.gz UWLIUCIGVQOXJS-UHFFFAOYSA-N -1 1 311.385 3.899 20 30 DHEDMM Cc1cnc(C(=O)NC2CCC(C(F)(F)F)CC2)c([O-])c1 ZINC000330655118 1013828484 /nfs/dbraw/zinc/82/84/84/1013828484.db2.gz SZNFJNKEHYDUME-UHFFFAOYSA-N -1 1 302.296 3.521 20 30 DHEDMM Cc1cc(C(C#N)=C([O-])c2ccc(C(C)(C)C)s2)nc(C)n1 ZINC000331066217 1013854256 /nfs/dbraw/zinc/85/42/56/1013854256.db2.gz FZMQZLOCEUVPNS-GFCCVEGCSA-N -1 1 313.426 3.943 20 30 DHEDMM CC[C@H](c1ccccc1)N(CC)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442950703 1014773865 /nfs/dbraw/zinc/77/38/65/1014773865.db2.gz YVLOSBDDFUHGHK-QGZVFWFLSA-N -1 1 308.381 3.877 20 30 DHEDMM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000442950729 1014775339 /nfs/dbraw/zinc/77/53/39/1014775339.db2.gz ZCFBPQXCAOWGIS-AWEZNQCLSA-N -1 1 322.408 3.750 20 30 DHEDMM Cc1cc([C@@H](NC(=O)c2ccc(C#N)c([O-])c2)C2CC2)ccc1F ZINC000443057843 1014803366 /nfs/dbraw/zinc/80/33/66/1014803366.db2.gz IIBOXWGSEYTTEY-SFHVURJKSA-N -1 1 324.355 3.593 20 30 DHEDMM C=C[C@@H](N[C@H](C)c1sc(-c2ccc(F)cc2)nc1C)C(=O)[O-] ZINC001588693183 983891074 /nfs/dbraw/zinc/89/10/74/983891074.db2.gz SRAUEIARQPGRFW-NOZJJQNGSA-N -1 1 320.389 3.547 20 30 DHEDMM CCc1oc(C(=O)[O-])cc1CN(C)[C@H](C)c1cccc(C#N)c1 ZINC001597761446 989187947 /nfs/dbraw/zinc/18/79/47/989187947.db2.gz FVAKYTYGWCGTKD-GFCCVEGCSA-N -1 1 312.369 3.605 20 30 DHEDMM Cc1cc(Nc2cc(Br)cnc2C#N)cc([O-])c1F ZINC001216077830 1015514185 /nfs/dbraw/zinc/51/41/85/1015514185.db2.gz UTUDGZCGVCGXJG-UHFFFAOYSA-N -1 1 322.137 3.613 20 30 DHEDMM CC(C)CCN(CCC#N)Cc1c2ccccc2[nH]c1C(=O)[O-] ZINC001591245519 992137403 /nfs/dbraw/zinc/13/74/03/992137403.db2.gz UGWLVSDORQUHHY-UHFFFAOYSA-N -1 1 313.401 3.628 20 30 DHEDMM C=C1CC(c2noc(-c3cc(Cl)c([O-])c(OCC)c3)n2)C1 ZINC000896884995 1015797486 /nfs/dbraw/zinc/79/74/86/1015797486.db2.gz WKDLQKUILYWWIR-UHFFFAOYSA-N -1 1 306.749 3.928 20 30 DHEDMM O=C1c2ccc([O-])cc2C/C1=C\c1cccc(OC(F)F)c1 ZINC000588535180 1017054873 /nfs/dbraw/zinc/05/48/73/1017054873.db2.gz SLTKDPWKTIPLGZ-WUXMJOGZSA-N -1 1 302.276 3.816 20 30 DHEDMM O=C1c2ccc([O-])cc2C/C1=C/c1cn2cc(Cl)ccc2n1 ZINC000588535094 1017055049 /nfs/dbraw/zinc/05/50/49/1017055049.db2.gz IWKNTILLWPNCMY-WDZFZDKYSA-N -1 1 310.740 3.516 20 30 DHEDMM Cc1nc(S[C@@H](C#N)C2CCCCC2)[n-]c(=O)c1C1CC1 ZINC000601088188 1012427716 /nfs/dbraw/zinc/42/77/16/1012427716.db2.gz MICYWDWZFPMUCH-ZDUSSCGKSA-N -1 1 303.431 3.933 20 30 DHEDMM COc1nc2ccccc2cc1/C=C/C(=O)c1cc(O)ccc1[O-] ZINC000764106628 1018159951 /nfs/dbraw/zinc/15/99/51/1018159951.db2.gz BPQAAUHUHGGLQO-SOFGYWHQSA-N -1 1 321.332 3.551 20 30 DHEDMM N#Cc1c(Br)cccc1Nc1cccc([O-])c1F ZINC001212550278 1018426330 /nfs/dbraw/zinc/42/63/30/1018426330.db2.gz FHGZTGDVUVPJIU-UHFFFAOYSA-N -1 1 307.122 3.909 20 30 DHEDMM CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000006950881 1018987071 /nfs/dbraw/zinc/98/70/71/1018987071.db2.gz FDNRTCZDLIRDTR-UHFFFAOYSA-N -1 1 314.410 3.657 20 30 DHEDMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)cc1 ZINC000007056097 1018997320 /nfs/dbraw/zinc/99/73/20/1018997320.db2.gz OTOYBKVLXBDQMU-UHFFFAOYSA-N -1 1 314.410 3.657 20 30 DHEDMM O=C(C=Cc1c[nH]nc1-c1ccccc1F)c1ccc([O-])cc1 ZINC000255659566 1020210276 /nfs/dbraw/zinc/21/02/76/1020210276.db2.gz GDKSVHMEQJMOLC-YFHOEESVSA-N -1 1 308.312 3.818 20 30 DHEDMM C[C@H]1CCC[C@@](C#N)([N-]C(=O)C(F)(F)c2ccccc2F)C1 ZINC000765815637 1020334275 /nfs/dbraw/zinc/33/42/75/1020334275.db2.gz FZMAMVWTUMYDOW-XHDPSFHLSA-N -1 1 310.319 3.506 20 30 DHEDMM CC(C)(C)[C@@H]1CCCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000188419059 1020396613 /nfs/dbraw/zinc/39/66/13/1020396613.db2.gz HLBIXQKZXKFXNK-OAHLLOKOSA-N -1 1 300.402 3.552 20 30 DHEDMM Cc1csc(C(C#N)=C([O-])c2cccc(SCC#N)c2)n1 ZINC000176013784 1021093928 /nfs/dbraw/zinc/09/39/28/1021093928.db2.gz AGBDOADVDWXEFG-CYBMUJFWSA-N -1 1 313.407 3.557 20 30 DHEDMM Cc1cc([O-])cc2c1C(=O)C(=Cc1c[nH]c(-c3ccccc3)n1)O2 ZINC000742433449 1021123780 /nfs/dbraw/zinc/12/37/80/1021123780.db2.gz YFWBXUFRPLBKOU-LZYBPNLTSA-N -1 1 318.332 3.707 20 30 DHEDMM C#CCN(C(=O)c1ccc2ccccc2c1[O-])C1CCCCC1 ZINC000743690086 1021349418 /nfs/dbraw/zinc/34/94/18/1021349418.db2.gz YVLIOSOPXJOECL-UHFFFAOYSA-N -1 1 307.393 3.954 20 30 DHEDMM CCc1nc(SCc2c(C)cc(C#N)cc2C)[n-]c(=O)c1C ZINC000917841753 1021373308 /nfs/dbraw/zinc/37/33/08/1021373308.db2.gz BUGWVSAKYNFDIJ-UHFFFAOYSA-N -1 1 313.426 3.834 20 30 DHEDMM N#CC1(CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCCCC1 ZINC000850390083 1021504580 /nfs/dbraw/zinc/50/45/80/1021504580.db2.gz CEOKXWLJJASDIH-UHFFFAOYSA-N -1 1 323.780 3.517 20 30 DHEDMM CCN(C(=O)c1ccc([O-])cc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000154820095 1021658865 /nfs/dbraw/zinc/65/88/65/1021658865.db2.gz ZRBSVJPZGQMDDG-GFCCVEGCSA-N -1 1 312.344 3.626 20 30 DHEDMM Cc1oc(C2CC2)nc1C([O-])=C(C#N)c1nc2cccc(C)c2[nH]1 ZINC000556915622 1021945772 /nfs/dbraw/zinc/94/57/72/1021945772.db2.gz NNMGALMEWDARER-GFCCVEGCSA-N -1 1 320.352 3.535 20 30 DHEDMM N#CCSc1cccc(C(=O)Nc2cc([O-])c(F)cc2F)c1 ZINC001625893714 1021989424 /nfs/dbraw/zinc/98/94/24/1021989424.db2.gz KTIFUYKYIVCJLO-UHFFFAOYSA-N -1 1 320.320 3.538 20 30 DHEDMM C=CCCC(C)(C)NC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000620863892 1022366320 /nfs/dbraw/zinc/36/63/20/1022366320.db2.gz HRQXIQUCRMUSFS-UHFFFAOYSA-N -1 1 311.809 3.919 20 30 DHEDMM COc1ccc2oc(/C=C3\Cc4cc([O-])ccc4C3=O)cc2c1 ZINC000187225806 1022644414 /nfs/dbraw/zinc/64/44/14/1022644414.db2.gz CVDUVMGKAIASNO-JLHYYAGUSA-N -1 1 306.317 3.969 20 30 DHEDMM Cc1cccc(-c2n[nH]cc2C=C2Oc3cc([O-])ccc3C2=O)c1 ZINC000728785361 1022964563 /nfs/dbraw/zinc/96/45/63/1022964563.db2.gz BVMYTLXEZJDXMI-IUXPMGMMSA-N -1 1 318.332 3.707 20 30 DHEDMM C=CC[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000617781397 1023053357 /nfs/dbraw/zinc/05/33/57/1023053357.db2.gz LLZMATITDLPPSM-LLVKDONJSA-N -1 1 313.319 3.839 20 30 DHEDMM COC(=O)c1cc(C#N)ccc1Nc1c(Cl)ccc([O-])c1F ZINC001214563379 1023419517 /nfs/dbraw/zinc/41/95/17/1023419517.db2.gz CWNAPCPNARBEOM-UHFFFAOYSA-N -1 1 320.707 3.587 20 30 DHEDMM C=CC(C)(C)CCNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001167787473 1023915684 /nfs/dbraw/zinc/91/56/84/1023915684.db2.gz KXMVKSMACPZJBF-UHFFFAOYSA-N -1 1 301.308 3.743 20 30 DHEDMM C[C@H](c1ccc(C([O-])=C(C#N)c2ccncn2)cc1)C(F)(F)F ZINC000453751865 1024586876 /nfs/dbraw/zinc/58/68/76/1024586876.db2.gz PQHSBCYPMKHZRD-MFKMUULPSA-N -1 1 319.286 3.632 20 30 DHEDMM N#CC(=C([O-])C=Cc1ccsc1)c1cnc2ccccc2n1 ZINC000792099956 1024626392 /nfs/dbraw/zinc/62/63/92/1024626392.db2.gz KBYCAVHBRYRSMT-URWSZGRFSA-N -1 1 305.362 3.581 20 30 DHEDMM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000475791664 1024754823 /nfs/dbraw/zinc/75/48/23/1024754823.db2.gz PAQCHVRHPBECSE-UHFFFAOYSA-N -1 1 314.410 3.677 20 30 DHEDMM N#CCOc1ccc(C(=O)/C=C/c2ccc([O-])c(Cl)c2)cc1 ZINC000067006124 1024870797 /nfs/dbraw/zinc/87/07/97/1024870797.db2.gz IGWWAQOSXTXYEY-LREOWRDNSA-N -1 1 313.740 3.844 20 30 DHEDMM O=C([O-])c1ccc(CN=Nc2cccc(Cl)n2)c(Cl)c1 ZINC000793174098 1024921650 /nfs/dbraw/zinc/92/16/50/1024921650.db2.gz IUTNDDIEZVLINU-UHFFFAOYSA-N -1 1 310.140 3.533 20 30 DHEDMM CC(C)(C)OCc1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000885619041 1025358493 /nfs/dbraw/zinc/35/84/93/1025358493.db2.gz CSOFSTPTLSRAMM-UHFFFAOYSA-N -1 1 324.380 3.831 20 30 DHEDMM Cc1csc(C(C#N)=C([O-])c2cccc(OC(F)F)c2)n1 ZINC000041520158 1025409028 /nfs/dbraw/zinc/40/90/28/1025409028.db2.gz HEBFOTACGMMJQJ-LLVKDONJSA-N -1 1 308.309 3.543 20 30 DHEDMM CC(C)(C)c1ncc(/C=C2\CCc3cc([O-])ccc3C2=O)cn1 ZINC000806567560 1025925867 /nfs/dbraw/zinc/92/58/67/1025925867.db2.gz ZSEOMZHGQZWVIX-RIYZIHGNSA-N -1 1 308.381 3.692 20 30 DHEDMM CC[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(Cl)cc1 ZINC000614294009 1026054986 /nfs/dbraw/zinc/05/49/86/1026054986.db2.gz JAUGYPJVFMFNAV-MRXNPFEDSA-N -1 1 314.772 3.798 20 30 DHEDMM Cc1ccc(CN(C(=O)c2cc([O-])cc(C#N)c2)C(C)C)s1 ZINC000614366340 1026257769 /nfs/dbraw/zinc/25/77/69/1026257769.db2.gz DDAQDGFIIZKKHW-UHFFFAOYSA-N -1 1 314.410 3.685 20 30 DHEDMM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614367094 1026260503 /nfs/dbraw/zinc/26/05/03/1026260503.db2.gz UOFUVOXNIZMVIG-AWEZNQCLSA-N -1 1 320.392 3.705 20 30 DHEDMM N#CC(=C([O-])c1cc2cc([N+](=O)[O-])ccc2s1)c1ccccn1 ZINC000041493446 1026706417 /nfs/dbraw/zinc/70/64/17/1026706417.db2.gz JQGAWTFESKUUQA-GFCCVEGCSA-N -1 1 323.333 3.695 20 30 DHEDMM N#CC(=C([O-])C=Cc1ccco1)c1cc(C(F)(F)F)ccn1 ZINC000813215357 1027566300 /nfs/dbraw/zinc/56/63/00/1027566300.db2.gz XJRRINRRPOFFFV-VSQXVHSFSA-N -1 1 306.243 3.583 20 30 DHEDMM Cn1nccc1-c1ccccc1/C=C1/Cc2cc([O-])ccc2C1=O ZINC000814189605 1027944989 /nfs/dbraw/zinc/94/49/89/1027944989.db2.gz GTHINBXFKIVHDS-GDNBJRDFSA-N -1 1 316.360 3.615 20 30 DHEDMM Cc1nc(S[C@@H](C#N)Cc2ccccc2)[n-]c(=O)c1C1CC1 ZINC000601086797 1027977185 /nfs/dbraw/zinc/97/71/85/1027977185.db2.gz CYPMCTGCNRGQAX-CQSZACIVSA-N -1 1 311.410 3.595 20 30 DHEDMM O=[N+]([O-])c1cc(NN=Cc2cccc([O-])c2Cl)ccc1F ZINC000814904310 1028272499 /nfs/dbraw/zinc/27/24/99/1028272499.db2.gz CWFUUIDWXBBDGV-UHFFFAOYSA-N -1 1 309.684 3.539 20 30 DHEDMM CCOc1ccc(NN=C(C)c2cc(F)cc(F)c2[O-])cc1 ZINC000814984873 1028319005 /nfs/dbraw/zinc/31/90/05/1028319005.db2.gz KLSGJPSUBBURPU-UHFFFAOYSA-N -1 1 306.312 3.905 20 30 DHEDMM C[C@@H](C#N)Oc1ccccc1NCc1cccc([O-])c1Cl ZINC000815135020 1028391223 /nfs/dbraw/zinc/39/12/23/1028391223.db2.gz NUTLJQMERCSBNP-NSHDSACASA-N -1 1 302.761 3.949 20 30 DHEDMM N#Cc1cc(F)ccc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000372735405 1028891474 /nfs/dbraw/zinc/89/14/74/1028891474.db2.gz AUYDXDFUQVCGGE-UHFFFAOYSA-N -1 1 324.355 3.502 20 30 DHEDMM CC(C)=C[C@@H]1[C@@H](C(=O)Nc2n[n-]c(C(F)(F)F)n2)C1(C)C ZINC000043997187 1029302085 /nfs/dbraw/zinc/30/20/85/1029302085.db2.gz BFZOIYYXQCVDSD-SFYZADRCSA-N -1 1 302.300 3.650 20 30 DHEDMM CC(C)=C[C@H]1[C@H](C(=O)Nc2n[n-]c(C(F)(F)F)n2)C1(C)C ZINC000043997184 1029303151 /nfs/dbraw/zinc/30/31/51/1029303151.db2.gz BFZOIYYXQCVDSD-JGVFFNPUSA-N -1 1 302.300 3.650 20 30 DHEDMM CCCNC(=O)c1cccc(N[C@H](C)c2cccc(C#N)c2[O-])c1 ZINC000866328152 1030231433 /nfs/dbraw/zinc/23/14/33/1030231433.db2.gz NJEHDIHQVWWUBJ-CYBMUJFWSA-N -1 1 323.396 3.577 20 30 DHEDMM C[C@H](Nc1ccc([C@H]2CCOC2)cc1)c1cccc(C#N)c1[O-] ZINC000866363727 1030255369 /nfs/dbraw/zinc/25/53/69/1030255369.db2.gz MWHIONLYIYPJHT-BBRMVZONSA-N -1 1 308.381 3.941 20 30 DHEDMM CC[C@H](Nc1cnn([C@H](C)C2CC2)c1)c1cccc(C#N)c1[O-] ZINC000926219279 1030662421 /nfs/dbraw/zinc/66/24/21/1030662421.db2.gz ODSFPUACANGTTI-PXAZEXFGSA-N -1 1 310.401 3.995 20 30 DHEDMM CC[C@@H](Nc1ccc(OC2COC2)cc1)c1cccc(C#N)c1[O-] ZINC000926231229 1030666802 /nfs/dbraw/zinc/66/68/02/1030666802.db2.gz BOSBIMHGWANEGZ-GOSISDBHSA-N -1 1 324.380 3.605 20 30 DHEDMM COc1cc(C)c(C(C)=NNc2ccccc2C(=O)[O-])cc1C ZINC000783815555 1031103370 /nfs/dbraw/zinc/10/33/70/1031103370.db2.gz DGKQOELEKHALNG-UHFFFAOYSA-N -1 1 312.369 3.846 20 30 DHEDMM C#Cc1cccc(N(CC)C(=O)c2cc(SC)ccc2[O-])c1 ZINC001144136106 1031269123 /nfs/dbraw/zinc/26/91/23/1031269123.db2.gz ZYXCNIITYBBSRT-UHFFFAOYSA-N -1 1 311.406 3.762 20 30 DHEDMM CCCCCCCS(=O)(=O)[N-]c1cnccc1C(F)(F)F ZINC000872011151 1031395776 /nfs/dbraw/zinc/39/57/76/1031395776.db2.gz YUWRVYUQNVMQFW-UHFFFAOYSA-N -1 1 324.368 3.813 20 30 DHEDMM C=C[C@H](C)O[N-]C(=O)Cc1coc2c1ccc(Cl)c2Cl ZINC001144588870 1031731447 /nfs/dbraw/zinc/73/14/47/1031731447.db2.gz FGHJWQCRSHGOOK-QMMMGPOBSA-N -1 1 314.168 3.904 20 30 DHEDMM N#Cc1cc(Nc2nc(Br)ccc2[O-])ccc1Cl ZINC001174400797 1034329692 /nfs/dbraw/zinc/32/96/92/1034329692.db2.gz QLUJHVNSAMKWLO-UHFFFAOYSA-N -1 1 324.565 3.818 20 30 DHEDMM N#CC1(CC(=O)Nc2cc(Cl)c([O-])c3ccccc23)CC1 ZINC000600136127 1034761163 /nfs/dbraw/zinc/76/11/63/1034761163.db2.gz QIPUUYPRWVFTGP-UHFFFAOYSA-N -1 1 300.745 3.831 20 30 DHEDMM CC(C)(C#N)c1ccc(Nc2c(F)cc(F)c([O-])c2F)cn1 ZINC001176664630 1035308782 /nfs/dbraw/zinc/30/87/82/1035308782.db2.gz TUGTXXLBNDYCJB-UHFFFAOYSA-N -1 1 307.275 3.749 20 30 DHEDMM N#Cc1ccc(-c2cc(C3CC3)nn2[C@H]2CCCCO2)c([O-])c1 ZINC000904777580 1035451537 /nfs/dbraw/zinc/45/15/37/1035451537.db2.gz NQWJNMKNSFHJMB-GOSISDBHSA-N -1 1 309.369 3.704 20 30 DHEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc2cc3ccccc3cc2c1 ZINC001193148999 1035577922 /nfs/dbraw/zinc/57/79/22/1035577922.db2.gz IQHDWZVIHZBKEF-LBPRGKRZSA-N -1 1 310.378 3.647 20 30 DHEDMM N#Cc1cc(C(=O)NCc2cccc(Cl)c2[O-])ccc1Cl ZINC001180409588 1035672499 /nfs/dbraw/zinc/67/24/99/1035672499.db2.gz DHUHKVVHOCKVNH-UHFFFAOYSA-N -1 1 321.163 3.501 20 30 DHEDMM CCCCCCCCCOC(=O)Nc1ccc(C(N)=O)cc1[O-] ZINC001194919402 1036074558 /nfs/dbraw/zinc/07/45/58/1036074558.db2.gz BXIGTGGJTAWCBD-UHFFFAOYSA-N -1 1 322.405 3.790 20 30 DHEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1C#N ZINC001195156467 1036165411 /nfs/dbraw/zinc/16/54/11/1036165411.db2.gz NLNHJEFKVIYQBK-UHFFFAOYSA-N -1 1 314.410 3.791 20 30 DHEDMM C=CCCCNC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196330614 1036504492 /nfs/dbraw/zinc/50/44/92/1036504492.db2.gz XFLDAOXMSRQQLR-UHFFFAOYSA-N -1 1 306.365 3.627 20 30 DHEDMM Cc1ccc2c(CC(=O)Nc3n[n-]c(C(F)(F)F)n3)coc2c1 ZINC000072673393 1036606150 /nfs/dbraw/zinc/60/61/50/1036606150.db2.gz DLXSNDYRMUAMMU-UHFFFAOYSA-N -1 1 324.262 3.709 20 30 DHEDMM N#Cc1c([O-])csc1NC(=S)Nc1ccc(Cl)cc1 ZINC001197306235 1036731149 /nfs/dbraw/zinc/73/11/49/1036731149.db2.gz HBMGENQFDBUZAX-UHFFFAOYSA-N -1 1 309.803 3.788 20 30 DHEDMM CO[C@](C)(C(=O)N([O-])Cc1ccccc1Cl)c1ccccc1 ZINC001184284058 1036802331 /nfs/dbraw/zinc/80/23/31/1036802331.db2.gz XQTVTPZMJYVFFU-KRWDZBQOSA-N -1 1 319.788 3.620 20 30 DHEDMM O=C(CC=Cc1ccc(F)cc1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000081583685 1036983369 /nfs/dbraw/zinc/98/33/69/1036983369.db2.gz YACUBXGYBWCFPZ-OWOJBTEDSA-N -1 1 314.242 3.654 20 30 DHEDMM N#Cc1c2ccccc2sc1[N-]C(=O)c1cnc(C2CC2)o1 ZINC001185196631 1037078613 /nfs/dbraw/zinc/07/86/13/1037078613.db2.gz JPDMCFXGCZSHOI-UHFFFAOYSA-N -1 1 309.350 3.891 20 30 DHEDMM CSc1ccccc1NC(=O)Nc1scc([O-])c1C#N ZINC001186717332 1037469424 /nfs/dbraw/zinc/46/94/24/1037469424.db2.gz QNZCLNVDUJQDCZ-UHFFFAOYSA-N -1 1 305.384 3.691 20 30 DHEDMM N#Cc1cccc([O-])c1NC(=O)Nc1ccc(F)c(Cl)c1 ZINC001187704618 1037704973 /nfs/dbraw/zinc/70/49/73/1037704973.db2.gz HFOPNFYNFLKDTM-UHFFFAOYSA-N -1 1 305.696 3.700 20 30 DHEDMM COc1ccc(Cl)cc1NC(=O)Nc1ccc(C#N)cc1[O-] ZINC001187928163 1037754703 /nfs/dbraw/zinc/75/47/03/1037754703.db2.gz CZZPNKAQQFUSLA-UHFFFAOYSA-N -1 1 317.732 3.570 20 30 DHEDMM CCCCCCCCCCS(=O)(=O)[N-]c1ccnc(C)n1 ZINC001201831657 1037913613 /nfs/dbraw/zinc/91/36/13/1037913613.db2.gz UQFPHHLNOORYJE-UHFFFAOYSA-N -1 1 313.467 3.667 20 30 DHEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190500026 1038325451 /nfs/dbraw/zinc/32/54/51/1038325451.db2.gz IFCRJULQZHKHAP-UHFFFAOYSA-N -1 1 312.394 3.545 20 30 DHEDMM CC(C)COc1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000589169077 1038437922 /nfs/dbraw/zinc/43/79/22/1038437922.db2.gz WRZXKAIWJXYZCL-UHFFFAOYSA-N -1 1 310.353 3.551 20 30 DHEDMM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589158296 1038443295 /nfs/dbraw/zinc/44/32/95/1038443295.db2.gz ATGMKOASAQWHLZ-UHFFFAOYSA-N -1 1 322.408 3.834 20 30 DHEDMM CC(C)(C)OCc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000589189331 1038445013 /nfs/dbraw/zinc/44/50/13/1038445013.db2.gz KVWFUEVFOIQMRX-UHFFFAOYSA-N -1 1 324.380 3.831 20 30 DHEDMM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589187003 1038445177 /nfs/dbraw/zinc/44/51/77/1038445177.db2.gz OUEIBTJXFRCRCN-KZULUSFZSA-N -1 1 324.355 3.626 20 30 DHEDMM Cc1cc(C#N)ccc1CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000589261241 1038454524 /nfs/dbraw/zinc/45/45/24/1038454524.db2.gz AHLKGHSSYHXDAO-UHFFFAOYSA-N -1 1 307.325 3.592 20 30 DHEDMM N#Cc1cc(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)ccc1F ZINC000590430486 1038642577 /nfs/dbraw/zinc/64/25/77/1038642577.db2.gz XLHAWVMGDLDZQW-UHFFFAOYSA-N -1 1 324.233 3.674 20 30 DHEDMM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC001192460884 1038663165 /nfs/dbraw/zinc/66/31/65/1038663165.db2.gz WGDUBRDYJWDHQP-UKRRQHHQSA-N -1 1 319.426 3.846 20 30 DHEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000590917075 1038726121 /nfs/dbraw/zinc/72/61/21/1038726121.db2.gz DBGOKLSTWCQVDM-OALUTQOASA-N -1 1 320.392 3.672 20 30 DHEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)COC3)n1 ZINC000531091914 332256417 /nfs/dbraw/zinc/25/64/17/332256417.db2.gz JFUBNLSRYDGITE-AWEZNQCLSA-N -1 1 312.394 3.787 20 30 DHEDMM Cc1ccc(C[C@H](C#N)Sc2nc(C(F)F)cc(=O)[n-]2)cc1 ZINC000289561844 334166552 /nfs/dbraw/zinc/16/65/52/334166552.db2.gz POQUTZACWOHUPL-LLVKDONJSA-N -1 1 321.352 3.655 20 30 DHEDMM Cc1cnc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c([O-])c1 ZINC000330873227 334817060 /nfs/dbraw/zinc/81/70/60/334817060.db2.gz HOAQFWJDDLPQGC-VHSXEESVSA-N -1 1 302.296 3.521 20 30 DHEDMM N#C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])C1CCCCC1 ZINC000321124038 337199955 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C[C@@]([N-]C(=O)CC(F)(F)F)(c1ccc(F)cc1)C(F)(F)F ZINC000542869893 341024400 /nfs/dbraw/zinc/02/44/00/341024400.db2.gz FVWCUDXPESRONW-SNVBAGLBSA-N -1 1 317.204 3.672 20 30 DHEDMM O=C([N-]c1c(F)cc(F)cc1F)c1cc(F)c(F)c(F)c1F ZINC000072507375 341088086 /nfs/dbraw/zinc/08/80/86/341088086.db2.gz VSAHUXLYNSEBPB-UHFFFAOYSA-N -1 1 323.167 3.913 20 30 DHEDMM Cc1oc(C(C)C)nc1C([O-])=C(C#N)c1nc2cccc(C)c2[nH]1 ZINC000552326684 341386831 /nfs/dbraw/zinc/38/68/31/341386831.db2.gz CHGPMPLFVCWXBR-GFCCVEGCSA-N -1 1 322.368 3.781 20 30 DHEDMM CC(=NN=c1ccc2ccccc2[nH]1)c1ccc(C(=O)[O-])cc1 ZINC000825809035 604636016 /nfs/dbraw/zinc/63/60/16/604636016.db2.gz KQCYKCFEEFZILI-UHFFFAOYSA-N -1 1 305.337 3.769 20 30 DHEDMM COc1cc(C(=O)NC2(C#N)CCCCC2)cc(Cl)c1[O-] ZINC000330680977 1013830666 /nfs/dbraw/zinc/83/06/66/1013830666.db2.gz MJCZGZFXSCTZMS-UHFFFAOYSA-N -1 1 308.765 3.585 20 30 DHEDMM CC(C)(C)[C@@H]1C[C@H](NC(=O)c2cc(Cl)ccc2[O-])CCO1 ZINC000331225623 1013862880 /nfs/dbraw/zinc/86/28/80/1013862880.db2.gz CHLLVLJNOFWLSU-RISCZKNCSA-N -1 1 311.809 3.944 20 30 DHEDMM CCCCc1nc(C=NNc2ccccc2C(=O)[O-])c(Cl)[nH]1 ZINC000755602170 978696587 /nfs/dbraw/zinc/69/65/87/978696587.db2.gz TWGVAXDXFZPZTA-UHFFFAOYSA-N -1 1 320.780 3.550 20 30 DHEDMM O=C([O-])c1ccc(NN=Cc2cc(Cl)cc(Cl)c2)nc1 ZINC000763376687 978722747 /nfs/dbraw/zinc/72/27/47/978722747.db2.gz GHNFSIJZSIMSMU-UHFFFAOYSA-N -1 1 310.140 3.533 20 30 DHEDMM CCCC[C@H](/N=C\c1cc(Cl)cc(Cl)c1O)C(=O)[O-] ZINC001595634908 981895743 /nfs/dbraw/zinc/89/57/43/981895743.db2.gz YVIIUVAJTYGQOG-FQKZPNAISA-N -1 1 304.173 3.761 20 30 DHEDMM C=CCN(Cc1cc(C(=O)[O-])cs1)Cc1ccc(OC)cc1 ZINC001588832350 984321480 /nfs/dbraw/zinc/32/14/80/984321480.db2.gz FKIDKPDEHJPCND-UHFFFAOYSA-N -1 1 317.410 3.643 20 30 DHEDMM CCN(C[C@H](C)C#N)Cn1c(CCC2CCCC2)n[n-]c1=S ZINC000171064427 1015696939 /nfs/dbraw/zinc/69/69/39/1015696939.db2.gz NAQIAKSOYUQYEO-CYBMUJFWSA-N -1 1 321.494 3.503 20 30 DHEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(SC(C)C)cc1 ZINC000728429589 1016093203 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CCC(C)N=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000727058503 1019606552 /nfs/dbraw/zinc/60/65/52/1019606552.db2.gz QPRGGFGDCYZNCN-UHFFFAOYSA-N -1 1 317.414 3.685 20 30 DHEDMM Cc1ccc(N=NC(C)c2cc(Br)ccc2O)nc1 ZINC000727260084 1019675324 /nfs/dbraw/zinc/67/53/24/1019675324.db2.gz PCKBCWMZNQVSRP-UHFFFAOYSA-N -1 1 320.190 3.694 20 30 DHEDMM CN(C)c1ccc(/C=C2\CCc3cc([O-])ccc3C2=O)cc1F ZINC000727654284 1019750721 /nfs/dbraw/zinc/75/07/21/1019750721.db2.gz KQUFYMKLCZLZPL-NTEUORMPSA-N -1 1 311.356 3.810 20 30 DHEDMM CC(=NNc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1[O-] ZINC000727778605 1019777764 /nfs/dbraw/zinc/77/77/64/1019777764.db2.gz BGKLTBKXSATVHP-UHFFFAOYSA-N -1 1 323.711 3.929 20 30 DHEDMM COc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)ccc1C ZINC000647373659 1020222705 /nfs/dbraw/zinc/22/27/05/1020222705.db2.gz MGJOVKILEQYABY-ZDUSSCGKSA-N -1 1 312.394 3.828 20 30 DHEDMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)co2)cc1 ZINC000892490242 1020524921 /nfs/dbraw/zinc/52/49/21/1020524921.db2.gz 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ZINC000776356503 1021307990 /nfs/dbraw/zinc/30/79/90/1021307990.db2.gz WTXWLFALJGEMAO-UHFFFAOYSA-N -1 1 310.353 3.654 20 30 DHEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C\c2cccc3cnccc23)c1 ZINC000782890124 1021372629 /nfs/dbraw/zinc/37/26/29/1021372629.db2.gz SIJZWGCVFVDAEA-XQRVVYSFSA-N -1 1 319.316 3.535 20 30 DHEDMM C=CCC[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000589192616 1021402267 /nfs/dbraw/zinc/40/22/67/1021402267.db2.gz PFCKLUNGCGHOEK-SFHVURJKSA-N -1 1 306.365 3.701 20 30 DHEDMM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cc([O-])cc(C#N)c3)C2)cc1 ZINC000618889485 1021564930 /nfs/dbraw/zinc/56/49/30/1021564930.db2.gz PGSQEPJQJBXCSY-KDOFPFPSSA-N -1 1 320.392 3.591 20 30 DHEDMM [O-]/N=C1/CCc2cc(-c3ccnc(Br)c3)ccc21 ZINC001241710946 1021718572 /nfs/dbraw/zinc/71/85/72/1021718572.db2.gz AGMYPIJJBTYRCJ-LGMDPLHJSA-N -1 1 303.159 3.636 20 30 DHEDMM Cc1ccc([C@@H]2CCN(C(=O)c3cc([O-])cc(C#N)c3)C2)c(C)c1 ZINC000619420993 1021752748 /nfs/dbraw/zinc/75/27/48/1021752748.db2.gz JXFSGPFAHIMWQO-MRXNPFEDSA-N -1 1 320.392 3.510 20 30 DHEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1Cl ZINC000619461205 1021762071 /nfs/dbraw/zinc/76/20/71/1021762071.db2.gz VGJRETWLHRSBFW-UHFFFAOYSA-N -1 1 320.801 3.515 20 30 DHEDMM CCCc1ccccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619461627 1021763302 /nfs/dbraw/zinc/76/33/02/1021763302.db2.gz HJTGPPFZMBEYHW-UHFFFAOYSA-N -1 1 314.410 3.506 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)N2CCCC3(CCCCC3)CC2)c1 ZINC000615883105 1022579954 /nfs/dbraw/zinc/57/99/54/1022579954.db2.gz PGDHURBZEOMPMW-UHFFFAOYSA-N -1 1 312.413 3.840 20 30 DHEDMM CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000768299479 1022943553 /nfs/dbraw/zinc/94/35/53/1022943553.db2.gz ITKHTPRLKBOOKR-AWEZNQCLSA-N -1 1 312.797 3.955 20 30 DHEDMM C=CC[C@H]1CCCN(C(=O)c2ccc(Br)cc2[O-])C1 ZINC000617781650 1023052295 /nfs/dbraw/zinc/05/22/95/1023052295.db2.gz RAKRROFDKJJRFA-NSHDSACASA-N -1 1 324.218 3.583 20 30 DHEDMM CC(C)N(C)c1ccc(/C=C2/CCc3cc([O-])ccc3C2=O)cn1 ZINC000790214622 1024244889 /nfs/dbraw/zinc/24/48/89/1024244889.db2.gz FKUZRKSELIAPGK-YBEGLDIGSA-N -1 1 322.408 3.844 20 30 DHEDMM N#Cc1cc2c(ccn2-c2c(F)c([O-])ccc2Cl)c(N)c1 ZINC001214563667 1024293106 /nfs/dbraw/zinc/29/31/06/1024293106.db2.gz MJKFNRDYICSYTQ-UHFFFAOYSA-N -1 1 301.708 3.582 20 30 DHEDMM N#CCOc1cc(F)ccc1NCc1c([O-])ccc(Cl)c1F ZINC000792173405 1024641615 /nfs/dbraw/zinc/64/16/15/1024641615.db2.gz GWELUYOJPMAASG-UHFFFAOYSA-N -1 1 324.714 3.838 20 30 DHEDMM CCCCCCC[C@@H](CCC)Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001172508521 1033237589 /nfs/dbraw/zinc/23/75/89/1033237589.db2.gz LIPGRXVCNJXWBV-LLVKDONJSA-N -1 1 321.425 3.657 20 30 DHEDMM Cc1csc(C(C#N)=C([O-])c2cccc(OCC(C)C)c2)n1 ZINC000047357763 1025620339 /nfs/dbraw/zinc/62/03/39/1025620339.db2.gz UXQUPMLIQMZPMP-OAHLLOKOSA-N -1 1 314.410 3.976 20 30 DHEDMM N#CC(=C([O-])c1cscc1-c1ccccc1)c1ccncn1 ZINC000355206440 1025636131 /nfs/dbraw/zinc/63/61/31/1025636131.db2.gz OVSDFJOSLGVFPN-CYBMUJFWSA-N -1 1 305.362 3.695 20 30 DHEDMM O=C1c2ccc([O-])cc2CC/C1=C/c1cccc(-n2cccn2)c1 ZINC000760266437 1025972129 /nfs/dbraw/zinc/97/21/29/1025972129.db2.gz URDGUHIWRSNWAY-WJDWOHSUSA-N -1 1 316.360 3.790 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)N[C@H](c2ccccc2)C2CCCC2)c1 ZINC000614298105 1026049789 /nfs/dbraw/zinc/04/97/89/1026049789.db2.gz COKCLKYMUUBWKY-LJQANCHMSA-N -1 1 320.392 3.925 20 30 DHEDMM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614296718 1026050491 /nfs/dbraw/zinc/05/04/91/1026050491.db2.gz OUEPVNHDGUWKBG-MRXNPFEDSA-N -1 1 324.380 3.609 20 30 DHEDMM CCN(Cc1ccc(Cl)s1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614294193 1026054769 /nfs/dbraw/zinc/05/47/69/1026054769.db2.gz XIZWFFCDLXWTFA-UHFFFAOYSA-N -1 1 320.801 3.641 20 30 DHEDMM CC[C@@H](C)c1cc(C(=O)[N-]c2sc(C)c(C)c2C#N)on1 ZINC000356566748 1026084922 /nfs/dbraw/zinc/08/49/22/1026084922.db2.gz WWNOSFHIBVOSJP-MRVPVSSYSA-N -1 1 303.387 3.990 20 30 DHEDMM O=C1c2ccc([O-])cc2O/C1=C\c1cccc(OC(F)F)c1 ZINC000140199441 1026112688 /nfs/dbraw/zinc/11/26/88/1026112688.db2.gz BFXRYDMIPRJPGA-AUWJEWJLSA-N -1 1 304.248 3.610 20 30 DHEDMM CC(=NN[C@H]1CCSC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000808003512 1026175646 /nfs/dbraw/zinc/17/56/46/1026175646.db2.gz ZMTSFWBQWMXWKX-QMMMGPOBSA-N -1 1 305.230 3.518 20 30 DHEDMM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000614369656 1026260456 /nfs/dbraw/zinc/26/04/56/1026260456.db2.gz FGRSQFRQVXFZAU-YOEHRIQHSA-N -1 1 320.392 3.591 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)N(CC2CCC2)c2ccccc2)c1 ZINC000614372397 1026268034 /nfs/dbraw/zinc/26/80/34/1026268034.db2.gz YVSPWQMWKPXDSZ-UHFFFAOYSA-N -1 1 306.365 3.711 20 30 DHEDMM C=CCC1(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CCCC1 ZINC000449801103 1029004872 /nfs/dbraw/zinc/00/48/72/1029004872.db2.gz GTMSGAWNOMUOFU-UHFFFAOYSA-N -1 1 311.385 3.857 20 30 DHEDMM CC1(C)CC[C@@H](NC(=O)c2ccc(C#N)c([O-])c2)c2ccccc21 ZINC001136447617 1029841480 /nfs/dbraw/zinc/84/14/80/1029841480.db2.gz BURHFGXXYBEOEV-QGZVFWFLSA-N -1 1 320.392 3.806 20 30 DHEDMM COc1cc(C)cc2c1OC/C(=C\c1ccc([O-])c(F)c1)C2=O ZINC000121112340 1030344719 /nfs/dbraw/zinc/34/47/19/1030344719.db2.gz MLQXVZLRMWQAJB-KPKJPENVSA-N -1 1 314.312 3.507 20 30 DHEDMM C[C@H](CCC1CCCCC1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC001136774286 1030388177 /nfs/dbraw/zinc/38/81/77/1030388177.db2.gz WPYVKFBDJSOIPA-CYBMUJFWSA-N -1 1 300.402 3.743 20 30 DHEDMM COc1ccc([O-])c(C(=O)/C=C\c2ccccc2OC(F)F)c1 ZINC000757469123 1031114139 /nfs/dbraw/zinc/11/41/39/1031114139.db2.gz ZIFJLYGRKQWPNA-VURMDHGXSA-N -1 1 320.291 3.898 20 30 DHEDMM CCC(CC)CN(CCC#N)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001144519946 1031659299 /nfs/dbraw/zinc/65/92/99/1031659299.db2.gz MSVIXVRGDJFUDD-UHFFFAOYSA-N -1 1 322.836 3.767 20 30 DHEDMM C[C@H]1CCC[C@@](C#N)([N-]C(=O)C(F)(F)c2ccc(F)cc2)C1 ZINC000757970400 1035100922 /nfs/dbraw/zinc/10/09/22/1035100922.db2.gz XASQPIPZDPURNQ-XHDPSFHLSA-N -1 1 310.319 3.506 20 30 DHEDMM C[C@@H](C(=O)[N-][C@H](c1ccc(F)cc1)C(F)(F)F)C(F)(F)F ZINC000080364421 1035175676 /nfs/dbraw/zinc/17/56/76/1035175676.db2.gz JMNKBZRAZQCKKJ-IMTBSYHQSA-N -1 1 317.204 3.744 20 30 DHEDMM C=CCCCN(CC)C(=O)c1ccc(Br)cc1[O-] ZINC001180033119 1035567860 /nfs/dbraw/zinc/56/78/60/1035567860.db2.gz WFJOGPUDKWLERR-UHFFFAOYSA-N -1 1 312.207 3.583 20 30 DHEDMM N#Cc1ccc(C(=O)NCC2(c3ccccc3)CCCC2)cc1[O-] ZINC000442894264 1035693497 /nfs/dbraw/zinc/69/34/97/1035693497.db2.gz BXPLNWKCUJHJKU-UHFFFAOYSA-N -1 1 320.392 3.506 20 30 DHEDMM CCCCCCC[C@H](C)C(=O)Nc1ncc(C(=O)OCC)[n-]1 ZINC001181112759 1035835564 /nfs/dbraw/zinc/83/55/64/1035835564.db2.gz UKQQXIBTEWIZPR-LBPRGKRZSA-N -1 1 309.410 3.522 20 30 DHEDMM CCCCCCC[C@H](C)C(=O)Nc1nc(C(=O)OCC)c[n-]1 ZINC001181112759 1035835571 /nfs/dbraw/zinc/83/55/71/1035835571.db2.gz UKQQXIBTEWIZPR-LBPRGKRZSA-N -1 1 309.410 3.522 20 30 DHEDMM N#Cc1ccccc1NC(=S)Nc1cc([O-])cc(Cl)c1 ZINC001196325847 1036501579 /nfs/dbraw/zinc/50/15/79/1036501579.db2.gz WQSBNSOWGKOZIL-UHFFFAOYSA-N -1 1 303.774 3.726 20 30 DHEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(Oc2ccccc2)c1 ZINC000316590925 1037138072 /nfs/dbraw/zinc/13/80/72/1037138072.db2.gz OHHIEEFNVUTIAB-MRXNPFEDSA-N -1 1 316.382 3.523 20 30 DHEDMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc([C@H](C)C#N)cc1 ZINC001185824834 1037250629 /nfs/dbraw/zinc/25/06/29/1037250629.db2.gz TVBOUDOYLTUSTC-LLVKDONJSA-N -1 1 318.373 3.562 20 30 DHEDMM Cc1cc(NC(=S)Nc2c([O-])cccc2C#N)ccc1F ZINC001201038769 1037517984 /nfs/dbraw/zinc/51/79/84/1037517984.db2.gz CAJJQTSIZPJEPW-UHFFFAOYSA-N -1 1 301.346 3.520 20 30 DHEDMM CSc1ccc(NC(=S)Nc2scc([O-])c2C#N)cc1 ZINC001201174389 1037554008 /nfs/dbraw/zinc/55/40/08/1037554008.db2.gz DUNNDMQEJSXDPN-UHFFFAOYSA-N -1 1 321.452 3.856 20 30 DHEDMM Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)c1 ZINC001201316841 1037606568 /nfs/dbraw/zinc/60/65/68/1037606568.db2.gz FHNCYUHDQIOIDP-UHFFFAOYSA-N -1 1 320.801 3.629 20 30 DHEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1ccccc1OC(F)F)O2 ZINC000915989106 1037640064 /nfs/dbraw/zinc/64/00/64/1037640064.db2.gz XYFCKYHUVWYZOD-VGOFMYFVSA-N -1 1 318.275 3.918 20 30 DHEDMM N#Cc1ccc(SCc2cc(=O)oc3cc([O-])ccc23)cc1 ZINC000916671630 1037853743 /nfs/dbraw/zinc/85/37/43/1037853743.db2.gz HBLFDVQZEPUCAU-UHFFFAOYSA-N -1 1 309.346 3.663 20 30 DHEDMM N#Cc1c([O-])csc1NC(=O)Nc1cccc(Cl)c1F ZINC001188385841 1037882329 /nfs/dbraw/zinc/88/23/29/1037882329.db2.gz ONBQVIVVKUMXBV-UHFFFAOYSA-N -1 1 311.725 3.762 20 30 DHEDMM Cc1coc([N-]C(=O)c2csc(-c3cccs3)n2)c1C#N ZINC001190570349 1038345448 /nfs/dbraw/zinc/34/54/48/1038345448.db2.gz FHCJWALMLPQSIZ-UHFFFAOYSA-N -1 1 315.379 3.897 20 30 DHEDMM CC[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(Cl)s1 ZINC000589181500 1038444867 /nfs/dbraw/zinc/44/48/67/1038444867.db2.gz YLBXVXJSDIDWHI-GFCCVEGCSA-N -1 1 320.801 3.860 20 30 DHEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1c(F)cccc1Cl ZINC000589188229 1038445722 /nfs/dbraw/zinc/44/57/22/1038445722.db2.gz NOSNPAUFWFZCLF-SECBINFHSA-N -1 1 318.735 3.547 20 30 DHEDMM Cc1ncc(C#N)cc1NC(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192314412 1038625720 /nfs/dbraw/zinc/62/57/20/1038625720.db2.gz OUGLJWXZJBDNNJ-UHFFFAOYSA-N -1 1 309.369 3.517 20 30 DHEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1cccc(C2CC2)c1 ZINC000590766764 1038699872 /nfs/dbraw/zinc/69/98/72/1038699872.db2.gz MUPLBIYHDWINKG-GFCCVEGCSA-N -1 1 306.365 3.632 20 30 DHEDMM Cc1cc(F)ccc1[C@H]1CCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000590885376 1038723935 /nfs/dbraw/zinc/72/39/35/1038723935.db2.gz NWTGSFOZEWSBMC-GOSISDBHSA-N -1 1 324.355 3.689 20 30 DHEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000591321543 1038817191 /nfs/dbraw/zinc/81/71/91/1038817191.db2.gz UBDSGKBMVNQLCI-HZPDHXFCSA-N -1 1 300.402 3.551 20 30 DHEDMM N#Cc1ccccc1CN1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000598680354 1038821432 /nfs/dbraw/zinc/82/14/32/1038821432.db2.gz XSOIYKSKFXHDPE-UHFFFAOYSA-N -1 1 320.392 3.636 20 30 DHEDMM CC1(C)CCC[C@@H]1[C@@H]1CCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000592869966 1039296362 /nfs/dbraw/zinc/29/63/62/1039296362.db2.gz APJYTEBIQOHJPK-RHSMWYFYSA-N -1 1 312.413 3.552 20 30 DHEDMM O=C(/C=C/c1ccc([O-])c(Cl)c1)c1ccc2c(c1)OCO2 ZINC000060132464 1040453546 /nfs/dbraw/zinc/45/35/46/1040453546.db2.gz XFXWBTBSKPLJKD-DAFODLJHSA-N -1 1 302.713 3.670 20 30 DHEDMM C[C@@H]1N(C(=O)c2cc([O-])cc(C#N)c2)c2ccccc2C1(C)C ZINC000598278481 1041150191 /nfs/dbraw/zinc/15/01/91/1041150191.db2.gz ZOPJFGBGOGTFNI-LBPRGKRZSA-N -1 1 306.365 3.590 20 30 DHEDMM C=CCCCCCCNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000287178103 335041167 /nfs/dbraw/zinc/04/11/67/335041167.db2.gz SXDPAZHFSAMTGP-UHFFFAOYSA-N -1 1 319.449 3.654 20 30 DHEDMM Cc1nc(SCc2ccc(C#N)cc2Cl)[n-]c(=O)c1C ZINC000438896234 334142208 /nfs/dbraw/zinc/14/22/08/334142208.db2.gz AAIFOQWQYGLMQK-UHFFFAOYSA-N -1 1 305.790 3.616 20 30 DHEDMM Cc1cc(C)c(C(=O)/C=C/c2cn(C)nc2C(F)F)c([O-])c1 ZINC000291539177 334179760 /nfs/dbraw/zinc/17/97/60/334179760.db2.gz LYUXHJZVMOXGKI-SNAWJCMRSA-N -1 1 306.312 3.576 20 30 DHEDMM CSCc1cnc(/C=C2\CCc3cc([O-])ccc3C2=O)s1 ZINC000295832132 334227806 /nfs/dbraw/zinc/22/78/06/334227806.db2.gz HKFOPVKCVDTVTO-YRNVUSSQSA-N -1 1 317.435 3.924 20 30 DHEDMM CC[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)C(C)(C)c1ccccc1 ZINC000442970678 338440578 /nfs/dbraw/zinc/44/05/78/338440578.db2.gz XJKJEYHHIKYHQB-GOSISDBHSA-N -1 1 322.408 3.750 20 30 DHEDMM Cc1cnc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c([O-])c1 ZINC000330873226 334817062 /nfs/dbraw/zinc/81/70/62/334817062.db2.gz HOAQFWJDDLPQGC-NXEZZACHSA-N -1 1 302.296 3.521 20 30 DHEDMM N#CCc1ccc([N-]S(=O)(=O)c2cccc3ccccc32)cc1 ZINC000033906255 335791625 /nfs/dbraw/zinc/79/16/25/335791625.db2.gz DVWMAGGLEYILAO-UHFFFAOYSA-N -1 1 322.389 3.707 20 30 DHEDMM N#Cc1ccc(/C=C/c2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445462220 338024388 /nfs/dbraw/zinc/02/43/88/338024388.db2.gz JXUJCXCPVJUELS-VMPITWQZSA-N -1 1 307.284 3.623 20 30 DHEDMM N#Cc1ccc(/C=C\c2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445462222 338024410 /nfs/dbraw/zinc/02/44/10/338024410.db2.gz JXUJCXCPVJUELS-YVMONPNESA-N -1 1 307.284 3.623 20 30 DHEDMM CC(C)C1CCC(N(C)C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000432573320 338159495 /nfs/dbraw/zinc/15/94/95/338159495.db2.gz 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CCOc1cc(/C=C\c2ccncc2C#N)cc(Cl)c1[O-] ZINC000436819553 338288486 /nfs/dbraw/zinc/28/84/86/338288486.db2.gz YPVSVMKTRVLUDB-ARJAWSKDSA-N -1 1 300.745 3.881 20 30 DHEDMM C=CCOc1ccccc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436873716 338290909 /nfs/dbraw/zinc/29/09/09/338290909.db2.gz OBSZZJWUBDUBCK-UHFFFAOYSA-N -1 1 312.300 3.813 20 30 DHEDMM N#Cc1ccc(C2(c3nc(-c4ccc([O-])c(F)c4)no3)CC2)cc1 ZINC000436880180 338291499 /nfs/dbraw/zinc/29/14/99/338291499.db2.gz PUAFHMCNYNPVDY-UHFFFAOYSA-N -1 1 321.311 3.533 20 30 DHEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000458035204 338986641 /nfs/dbraw/zinc/98/66/41/338986641.db2.gz XWBAHKYJNYVLBW-ROUUACIJSA-N -1 1 320.392 3.672 20 30 DHEDMM CC(C)[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(F)cc1 ZINC000506194238 340188273 /nfs/dbraw/zinc/18/82/73/340188273.db2.gz VJHILYIBLVNGMX-QGZVFWFLSA-N -1 1 312.344 3.530 20 30 DHEDMM C=C1CCN(Cc2c(C(=O)[O-])sc3cccc(F)c32)CC1 ZINC000382471609 599856419 /nfs/dbraw/zinc/85/64/19/599856419.db2.gz 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O=C(/C=C/c1ccc(OCC(F)F)cc1)c1ccc([O-])cc1 ZINC000132404358 1024476983 /nfs/dbraw/zinc/47/69/83/1024476983.db2.gz FYOHCMWBQIHYDV-XCVCLJGOSA-N -1 1 304.292 3.932 20 30 DHEDMM N#CC(=C([O-])C=Cc1ccsc1)c1cnc2ccccc2n1 ZINC000792099951 1024626283 /nfs/dbraw/zinc/62/62/83/1024626283.db2.gz KBYCAVHBRYRSMT-GFUIURDCSA-N -1 1 305.362 3.581 20 30 DHEDMM C#CCOc1ccc(/C=C/C(=O)c2ccc([O-])cc2)cc1OCC ZINC000006338561 1024683800 /nfs/dbraw/zinc/68/38/00/1024683800.db2.gz LRTFGGUOVPMVKC-VZUCSPMQSA-N -1 1 322.360 3.699 20 30 DHEDMM Cc1csc(C(C#N)=C([O-])c2cccc(Br)c2)n1 ZINC000041520307 1025408746 /nfs/dbraw/zinc/40/87/46/1025408746.db2.gz SBHMGAZENRHHQE-NSHDSACASA-N -1 1 321.199 3.704 20 30 DHEDMM O=C1c2ccc([O-])cc2CC/C1=C\c1c[nH]c(C(F)(F)F)c1 ZINC000806566514 1025926112 /nfs/dbraw/zinc/92/61/12/1025926112.db2.gz JAKBADPBQQIVJO-VZUCSPMQSA-N -1 1 307.271 3.952 20 30 DHEDMM Cc1c(NC(=O)c2cc([O-])cc(C#N)c2)sc2c1CCCC2 ZINC000614299109 1026054109 /nfs/dbraw/zinc/05/41/09/1026054109.db2.gz 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[O-]c1cc(Nc2c(F)c(F)nc(F)c2F)c(F)c(F)c1F ZINC001249959743 1035614583 /nfs/dbraw/zinc/61/45/83/1035614583.db2.gz ZRKLMQFTLBRJFE-UHFFFAOYSA-N -1 1 312.144 3.505 20 30 DHEDMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1 ZINC000609106392 1035954297 /nfs/dbraw/zinc/95/42/97/1035954297.db2.gz FBXSBTORDZOWNH-UHFFFAOYSA-N -1 1 318.373 3.622 20 30 DHEDMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1 ZINC000032081860 1036111467 /nfs/dbraw/zinc/11/14/67/1036111467.db2.gz BZKGWVRLFLGUEB-UHFFFAOYSA-N -1 1 314.410 3.558 20 30 DHEDMM N#C[C@]1(C(=O)Nc2ccc([O-])c(Cl)c2)CC2CCC1CC2 ZINC000907096917 1036139653 /nfs/dbraw/zinc/13/96/53/1036139653.db2.gz IMLFLLVVSCGWET-CLIRUNRCSA-N -1 1 304.777 3.704 20 30 DHEDMM Cc1c(CC(=O)Nc2ccc(C#N)cc2[O-])sc2ccccc12 ZINC001183244633 1036552250 /nfs/dbraw/zinc/55/22/50/1036552250.db2.gz ONBRASJTNCZCAO-UHFFFAOYSA-N -1 1 322.389 3.968 20 30 DHEDMM C#CCOc1cc(F)ccc1NCc1cc(Cl)cc(F)c1[O-] ZINC000775748729 1036644642 /nfs/dbraw/zinc/64/46/42/1036644642.db2.gz MSIPHACYYMPRCU-UHFFFAOYSA-N -1 1 323.726 3.948 20 30 DHEDMM O=C(/C=C/c1nc2ccc(F)cc2s1)c1cc(O)ccc1[O-] ZINC000761481856 1036995493 /nfs/dbraw/zinc/99/54/93/1036995493.db2.gz YQLLLSBASNEAPP-AATRIKPKSA-N -1 1 315.325 3.743 20 30 DHEDMM CSc1ccc(NC(=S)Nc2c([O-])cccc2C#N)cc1 ZINC001201187295 1037559847 /nfs/dbraw/zinc/55/98/47/1037559847.db2.gz RCBCLYXECQDEKW-UHFFFAOYSA-N -1 1 315.423 3.795 20 30 DHEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(C)C)c2)cc1C#N ZINC001201287986 1037585254 /nfs/dbraw/zinc/58/52/54/1037585254.db2.gz RISZOEJHSPHZSA-UHFFFAOYSA-N -1 1 314.410 3.791 20 30 DHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C)c2)cc1C#N ZINC001201315582 1037601896 /nfs/dbraw/zinc/60/18/96/1037601896.db2.gz FZYIUKJNZMLMJQ-UHFFFAOYSA-N -1 1 320.801 3.629 20 30 DHEDMM CCCC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(Cl)cc1 ZINC000916241803 1037722072 /nfs/dbraw/zinc/72/20/72/1037722072.db2.gz WAAQRZAFVSAMOS-UHFFFAOYSA-N -1 1 304.781 3.760 20 30 DHEDMM COc1cc(C(=O)[O-])ccc1N=NC(C)c1cc(C)ccc1F ZINC000763369318 1037750246 /nfs/dbraw/zinc/75/02/46/1037750246.db2.gz FLFVUWMDMDEYGI-UHFFFAOYSA-N -1 1 316.332 3.677 20 30 DHEDMM COc1ccc(Cl)cc1NC(=O)Nc1c([O-])cccc1C#N ZINC001187928377 1037755387 /nfs/dbraw/zinc/75/53/87/1037755387.db2.gz KXWPPLJFVRGLRC-UHFFFAOYSA-N -1 1 317.732 3.570 20 30 DHEDMM CCCCCCCCS(=O)(=O)[N-]c1nccc2cnccc21 ZINC001187994841 1037773814 /nfs/dbraw/zinc/77/38/14/1037773814.db2.gz SBOXCVFPZCSPGE-UHFFFAOYSA-N -1 1 321.446 3.732 20 30 DHEDMM C#Cc1ccc(NC(=O)c2ccc([O-])c(C(F)(F)F)c2)cc1F ZINC001188588979 1037940136 /nfs/dbraw/zinc/94/01/36/1037940136.db2.gz KFTYLJIUOXVFDP-UHFFFAOYSA-N -1 1 323.245 3.784 20 30 DHEDMM C[C@H]1CC[C@H](c2ccccc2)N(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000587989367 1038208259 /nfs/dbraw/zinc/20/82/59/1038208259.db2.gz HHEHLXQFSKSVOL-IFXJQAMLSA-N -1 1 320.392 3.877 20 30 DHEDMM CC[C@H](c1ccccc1)N(CC)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589173131 1038439848 /nfs/dbraw/zinc/43/98/48/1038439848.db2.gz FTRFNMSXERYITD-GOSISDBHSA-N -1 1 308.381 3.877 20 30 DHEDMM CC(C)(C)[C@@H]1CCCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000589180896 1038444614 /nfs/dbraw/zinc/44/46/14/1038444614.db2.gz DIGLLZLWODDVBN-OAHLLOKOSA-N -1 1 300.402 3.552 20 30 DHEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1c(F)cccc1Cl ZINC000589188230 1038445553 /nfs/dbraw/zinc/44/55/53/1038445553.db2.gz NOSNPAUFWFZCLF-VIFPVBQESA-N -1 1 318.735 3.547 20 30 DHEDMM CC(C)c1ccc(C[C@H](C)NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000589196855 1038447318 /nfs/dbraw/zinc/44/73/18/1038447318.db2.gz WSJGNIVXOAEHQK-AWEZNQCLSA-N -1 1 322.408 3.748 20 30 DHEDMM Cc1cc([C@@H](NC(=O)c2cc([O-])cc(C#N)c2)C2CC2)ccc1F ZINC000589196723 1038448040 /nfs/dbraw/zinc/44/80/40/1038448040.db2.gz VHOSIPFGLOZOCK-SFHVURJKSA-N -1 1 324.355 3.593 20 30 DHEDMM CC(C)(C)c1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1O ZINC000589207916 1038451543 /nfs/dbraw/zinc/45/15/43/1038451543.db2.gz ZNBSZNMHIHEFOJ-UHFFFAOYSA-N -1 1 310.353 3.519 20 30 DHEDMM Cc1c(=O)[n-]c(SCC2(CC#N)CC2)nc1-c1ccccc1 ZINC000594895582 1039917360 /nfs/dbraw/zinc/91/73/60/1039917360.db2.gz MOTMDOQGXNAVKT-UHFFFAOYSA-N -1 1 311.410 3.944 20 30 DHEDMM N#Cc1ccccc1SCc1cc(=O)oc2cc([O-])ccc12 ZINC000173714991 1040377307 /nfs/dbraw/zinc/37/73/07/1040377307.db2.gz RGVBXPJYPSZOKJ-UHFFFAOYSA-N -1 1 309.346 3.663 20 30 DHEDMM C=C[C@@](C)(CCOC)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000288994125 335059450 /nfs/dbraw/zinc/05/94/50/335059450.db2.gz GLBFKMQITIPQCO-HNNXBMFYSA-N -1 1 308.765 3.576 20 30 DHEDMM Cc1c(=O)[n-]c(SCCC(C)(C)C#N)nc1-c1ccccc1 ZINC000118948159 332358376 /nfs/dbraw/zinc/35/83/76/332358376.db2.gz SJMGGNIUHCYEMR-UHFFFAOYSA-N -1 1 313.426 3.777 20 30 DHEDMM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000318690046 333201818 /nfs/dbraw/zinc/20/18/18/333201818.db2.gz OWIKQPBLJVGPRR-UHFFFAOYSA-N -1 1 314.410 3.620 20 30 DHEDMM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(C(=O)[O-])cc1 ZINC000414638452 334049796 /nfs/dbraw/zinc/04/97/96/334049796.db2.gz OAKUDDCOJNKPPH-OALUTQOASA-N -1 1 320.392 3.657 20 30 DHEDMM C=CCC(C)(C)c1noc(-c2[n-]cnc2C(=O)c2ccccc2)n1 ZINC000340792785 334384499 /nfs/dbraw/zinc/38/44/99/334384499.db2.gz DSSCKVIBRQOKHZ-UHFFFAOYSA-N -1 1 322.368 3.544 20 30 DHEDMM CCCC(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000331312317 334853281 /nfs/dbraw/zinc/85/32/81/334853281.db2.gz ZRTUNNBIEAIRTA-UHFFFAOYSA-N -1 1 304.390 3.768 20 30 DHEDMM N#Cc1ccc(C(=O)N(Cc2ccoc2)C2CCCCC2)cc1[O-] ZINC000188531130 334857547 /nfs/dbraw/zinc/85/75/47/334857547.db2.gz QMLHBLXFAUPBNJ-UHFFFAOYSA-N -1 1 324.380 3.832 20 30 DHEDMM Cc1csc([N-]C(=O)c2cc(-c3ccccc3)no2)c1C#N ZINC000344927537 335285844 /nfs/dbraw/zinc/28/58/44/335285844.db2.gz KZRBXGUJOQQSPG-UHFFFAOYSA-N -1 1 309.350 3.836 20 30 DHEDMM Cc1cc(C(=O)[N-]c2sc3c(c2C#N)C[C@@H](C)C[C@H]3C)on1 ZINC000331760650 336147681 /nfs/dbraw/zinc/14/76/81/336147681.db2.gz KFMIYGCHULHZCS-DTWKUNHWSA-N -1 1 315.398 3.854 20 30 DHEDMM CCCc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cc1 ZINC000063878672 336395687 /nfs/dbraw/zinc/39/56/87/336395687.db2.gz AIZZZHSNRNFNOB-UHFFFAOYSA-N -1 1 314.410 3.620 20 30 DHEDMM C[C@H]1CCC[C@](C#N)(NC(=O)c2cc3ccccc3cc2[O-])C1 ZINC000436723247 338284215 /nfs/dbraw/zinc/28/42/15/338284215.db2.gz LBDWYEJJRNIQAZ-DJJJIMSYSA-N -1 1 308.381 3.748 20 30 DHEDMM C=CCCc1ccccc1NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000504283488 340144422 /nfs/dbraw/zinc/14/44/22/340144422.db2.gz DETKIYMJOXDGOO-UHFFFAOYSA-N -1 1 324.380 3.722 20 30 DHEDMM N#CCc1ccccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000193362146 340576733 /nfs/dbraw/zinc/57/67/33/340576733.db2.gz RALGFWFOADEZGB-UHFFFAOYSA-N -1 1 322.389 3.707 20 30 DHEDMM C[C@]([N-]C(=O)CC(F)(F)F)(c1ccc(F)cc1)C(F)(F)F ZINC000542869892 341024371 /nfs/dbraw/zinc/02/43/71/341024371.db2.gz FVWCUDXPESRONW-JTQLQIEISA-N -1 1 317.204 3.672 20 30 DHEDMM O=C([O-])c1occc1/C=C\C(=O)c1ccc2ccccc2c1O ZINC000833094082 601825931 /nfs/dbraw/zinc/82/59/31/601825931.db2.gz DGYMIMQVBQJTEV-VURMDHGXSA-N -1 1 308.289 3.733 20 30 DHEDMM C#CCN(Cc1ccc(C(=O)[O-])s1)[C@@H]1CCc2ccccc21 ZINC000825614673 601942816 /nfs/dbraw/zinc/94/28/16/601942816.db2.gz ULRZCOOYEAMNMY-MRXNPFEDSA-N -1 1 311.406 3.569 20 30 DHEDMM C=CCCCCCCCCNc1cccc(-c2nnn[n-]2)n1 ZINC001573334478 947457784 /nfs/dbraw/zinc/45/77/84/947457784.db2.gz DLQGCJXPOWUPDH-UHFFFAOYSA-N -1 1 300.410 3.590 20 30 DHEDMM C=CCCCCCCCCNc1cccc(-c2nn[n-]n2)n1 ZINC001573334478 947457790 /nfs/dbraw/zinc/45/77/90/947457790.db2.gz DLQGCJXPOWUPDH-UHFFFAOYSA-N -1 1 300.410 3.590 20 30 DHEDMM N#CCC[C@H](NCc1ccc(C(=O)[O-])s1)c1ccccc1 ZINC000903680549 956859134 /nfs/dbraw/zinc/85/91/34/956859134.db2.gz FPHBQDBRHICDEJ-AWEZNQCLSA-N -1 1 300.383 3.581 20 30 DHEDMM C=CCCCCCN(C)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001573365363 963053957 /nfs/dbraw/zinc/05/39/57/963053957.db2.gz FUNIDHRXTRRXBN-AWEZNQCLSA-N -1 1 320.433 3.579 20 30 DHEDMM N#Cc1cccc(Nc2cccc(F)c2[O-])c1Br ZINC001210200603 1013659128 /nfs/dbraw/zinc/65/91/28/1013659128.db2.gz CEMHZJGXSLUWIV-UHFFFAOYSA-N -1 1 307.122 3.909 20 30 DHEDMM O=C([O-])c1ccc(NN=Cc2c(Cl)cccc2Cl)nc1 ZINC000763371874 978722554 /nfs/dbraw/zinc/72/25/54/978722554.db2.gz LASUIEHATQVGLE-UHFFFAOYSA-N -1 1 310.140 3.533 20 30 DHEDMM Cc1cc(CN=Nc2ccccc2C(=O)[O-])cc2cccnc12 ZINC000783816599 978794062 /nfs/dbraw/zinc/79/40/62/978794062.db2.gz NZYDEYAMULHIOK-UHFFFAOYSA-N -1 1 305.337 3.687 20 30 DHEDMM N#CC1(CCCCOC(=O)Cc2ccc([O-])c(Cl)c2)CCC1 ZINC000909467920 1014580451 /nfs/dbraw/zinc/58/04/51/1014580451.db2.gz QYUKKWIABJTGHG-UHFFFAOYSA-N -1 1 321.804 3.995 20 30 DHEDMM Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(C#N)c([O-])c2)c1C ZINC000442976512 1014778689 /nfs/dbraw/zinc/77/86/89/1014778689.db2.gz LZIWUYPIRIADEB-SFHVURJKSA-N -1 1 320.392 3.858 20 30 DHEDMM CCCN(Cc1ccccc1)Cc1cccc(C(=O)[O-])c1C#N ZINC001595900250 982951431 /nfs/dbraw/zinc/95/14/31/982951431.db2.gz XCIHVMCLJWVQQU-UHFFFAOYSA-N -1 1 308.381 3.669 20 30 DHEDMM C#CCN(Cc1ccccc1)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC001588471736 983507766 /nfs/dbraw/zinc/50/77/66/983507766.db2.gz YUCJVXPWUNDUHA-UHFFFAOYSA-N -1 1 313.784 3.674 20 30 DHEDMM Cc1ccc(C(F)(F)C(=O)[N-][C@@H](C#N)c2ccc(F)cc2)cc1 ZINC000780863452 1015922902 /nfs/dbraw/zinc/92/29/02/1015922902.db2.gz QLZDLVPVMUPVCA-HNNXBMFYSA-N -1 1 318.298 3.607 20 30 DHEDMM N#Cc1ccc(NC(=O)CCCc2c[nH]c3ccccc23)c([O-])c1 ZINC001144973716 1032133686 /nfs/dbraw/zinc/13/36/86/1032133686.db2.gz BCFOPVGVLQSOKJ-UHFFFAOYSA-N -1 1 319.364 3.707 20 30 DHEDMM C=CCC1([N-]S(=O)(=O)c2sccc2Cl)CCCC1 ZINC000657188548 1015987496 /nfs/dbraw/zinc/98/74/96/1015987496.db2.gz FFNLYWFTZNNXOW-UHFFFAOYSA-N -1 1 305.852 3.569 20 30 DHEDMM C[C@@H]1C[C@H](c2ccccc2)N(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC001594270568 999045893 /nfs/dbraw/zinc/04/58/93/999045893.db2.gz WOWLUKTXCVWLCC-AUUYWEPGSA-N -1 1 320.392 3.840 20 30 DHEDMM C[C@H]1CCN(Cc2cccc(C(=O)[O-])c2C#N)[C@H]1c1ccccc1 ZINC001594423800 999583914 /nfs/dbraw/zinc/58/39/14/999583914.db2.gz ICFTYWCKUSIZKP-IFXJQAMLSA-N -1 1 320.392 3.840 20 30 DHEDMM Cn1cc(/C=C2/Cc3cc([O-])ccc3C2=O)c(-c2cccs2)n1 ZINC000588535116 1017055382 /nfs/dbraw/zinc/05/53/82/1017055382.db2.gz KFXYKGNGNSGURP-WQLSENKSSA-N -1 1 322.389 3.677 20 30 DHEDMM CCCCN(CC#N)C(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148867108 1032449532 /nfs/dbraw/zinc/44/95/32/1032449532.db2.gz VRERIDOFAQOEMV-UHFFFAOYSA-N -1 1 308.381 3.825 20 30 DHEDMM Cc1csc(C(C#N)=C([O-])c2ccc(-c3cnco3)cc2)n1 ZINC000342851040 1017586660 /nfs/dbraw/zinc/58/66/60/1017586660.db2.gz ZZTFMTXJESSTJP-ZDUSSCGKSA-N -1 1 309.350 3.597 20 30 DHEDMM Cc1nc(-c2cccs2)ccc1C([O-])=N[C@@H]1CCCNC1=O ZINC000329403549 1018660666 /nfs/dbraw/zinc/66/06/66/1018660666.db2.gz ZUKDWGSJSVZRMQ-CYBMUJFWSA-N -1 1 315.398 3.542 20 30 DHEDMM N#CC(=C([O-])C=Cc1cccc(F)c1)c1cnc2ccccc2n1 ZINC000588587843 1018969729 /nfs/dbraw/zinc/96/97/29/1018969729.db2.gz XLNIYEQLHFIRHL-CDNLZTBQSA-N -1 1 317.323 3.659 20 30 DHEDMM O=C1c2cc([N+](=O)[O-])ccc2CC/C1=C\c1ccc([O-])c(F)c1 ZINC000588598530 1019286274 /nfs/dbraw/zinc/28/62/74/1019286274.db2.gz JIRNZZZJDNPNFM-KPKJPENVSA-N -1 1 313.284 3.652 20 30 DHEDMM CCN(CC)c1ccc(/C=C2/Oc3cc([O-])ccc3C2=O)cc1 ZINC000062851158 1019373327 /nfs/dbraw/zinc/37/33/27/1019373327.db2.gz PXAQGRIQPRFKND-WOJGMQOQSA-N -1 1 309.365 3.855 20 30 DHEDMM N#Cc1c(F)c(F)cc(Nc2cc(F)cc(F)c2[O-])c1F ZINC001212492952 1019513082 /nfs/dbraw/zinc/51/30/82/1019513082.db2.gz OJJLMYDQNWWMMN-UHFFFAOYSA-N -1 1 300.186 3.703 20 30 DHEDMM Cc1cc(N=NC(C)c2cc(Cl)c(Cl)cc2[O-])ncn1 ZINC000766021575 1020463261 /nfs/dbraw/zinc/46/32/61/1020463261.db2.gz VGSFMRYPSNLVIO-UHFFFAOYSA-N -1 1 311.172 3.634 20 30 DHEDMM CC(=NNCC(F)(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000766030595 1020494097 /nfs/dbraw/zinc/49/40/97/1020494097.db2.gz WPMQQQFDXWQQFH-UHFFFAOYSA-N -1 1 301.095 3.575 20 30 DHEDMM N#C[C@H]([N-]C(=O)C(F)(F)c1ccccc1F)C1CCCCC1 ZINC000765853362 1020509700 /nfs/dbraw/zinc/50/97/00/1020509700.db2.gz PMGLPHOGYIIYOA-AWEZNQCLSA-N -1 1 310.319 3.506 20 30 DHEDMM CCn1c2ccccc2nc1C(C)=NNc1ccccc1C(=O)[O-] ZINC000741461804 1021008195 /nfs/dbraw/zinc/00/81/95/1021008195.db2.gz CRBQSETWQLBALE-UHFFFAOYSA-N -1 1 322.368 3.591 20 30 DHEDMM COc1ccc([O-])c(C(=O)/C=C\c2nc3c(s2)CCCC3)c1 ZINC000776266583 1021198642 /nfs/dbraw/zinc/19/86/42/1021198642.db2.gz SCWSCBJGNYNZKH-HJWRWDBZSA-N -1 1 315.394 3.632 20 30 DHEDMM N#C[C@H](OC(=O)c1cc(F)cc(Cl)c1[O-])C1CCCCC1 ZINC000776390199 1021339344 /nfs/dbraw/zinc/33/93/44/1021339344.db2.gz DPRWXFQBVVKXMZ-ZDUSSCGKSA-N -1 1 311.740 3.814 20 30 DHEDMM Cc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1OC(C)C ZINC000618874943 1021570085 /nfs/dbraw/zinc/57/00/85/1021570085.db2.gz BGXFMDRPHFHJIH-UHFFFAOYSA-N -1 1 310.353 3.612 20 30 DHEDMM CCCCCCCC(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000919222089 1021737395 /nfs/dbraw/zinc/73/73/95/1021737395.db2.gz GGFIZGLNCITFPI-UHFFFAOYSA-N -1 1 318.369 3.902 20 30 DHEDMM CC(C)c1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000619461136 1021762760 /nfs/dbraw/zinc/76/27/60/1021762760.db2.gz FTJIKGZMLFCBEM-UHFFFAOYSA-N -1 1 314.410 3.677 20 30 DHEDMM CC(C)c1ccccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619461151 1021763449 /nfs/dbraw/zinc/76/34/49/1021763449.db2.gz IHXFMNBTZZDIGR-UHFFFAOYSA-N -1 1 314.410 3.677 20 30 DHEDMM O=C(/C=C/c1cc(O)ccc1[N+](=O)[O-])c1ccc([O-])c(Cl)c1 ZINC000119263103 1021788506 /nfs/dbraw/zinc/78/85/06/1021788506.db2.gz XKLTYPLTENOSGJ-ORCRQEGFSA-N -1 1 319.700 3.556 20 30 DHEDMM COCCCOc1cccc(/C=C2\Cc3cc([O-])ccc3C2=O)c1 ZINC000187229745 1021989165 /nfs/dbraw/zinc/98/91/65/1021989165.db2.gz LXRSAUOCGFXSRF-MHWRWJLKSA-N -1 1 324.376 3.630 20 30 DHEDMM C[C@@H](NN=Cc1cccc(Br)c1[O-])c1ccccc1 ZINC000920383854 1022112362 /nfs/dbraw/zinc/11/23/62/1022112362.db2.gz ZDUODALVYCQBEI-LLVKDONJSA-N -1 1 319.202 3.839 20 30 DHEDMM [O-]c1ccc(C=NNC(=S)Nc2ccc(F)cc2)cc1Cl ZINC000921252250 1022236041 /nfs/dbraw/zinc/23/60/41/1022236041.db2.gz AHSOKCGKGPBQSE-UHFFFAOYSA-N -1 1 323.780 3.505 20 30 DHEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(C2CC2)c1 ZINC000584701933 1022634901 /nfs/dbraw/zinc/63/49/01/1022634901.db2.gz MCXFUQOYWWQYSC-LBPRGKRZSA-N -1 1 306.365 3.632 20 30 DHEDMM CCOc1cc(C=NNc2cccc(C#N)c2)cc(Cl)c1[O-] ZINC000767336920 1022689204 /nfs/dbraw/zinc/68/92/04/1022689204.db2.gz WULDGHUGJXJFES-UHFFFAOYSA-N -1 1 315.760 3.762 20 30 DHEDMM Cc1cccc(-c2n[nH]cc2C=CC(=O)c2ccc([O-])cc2)c1 ZINC000728785299 1022967583 /nfs/dbraw/zinc/96/75/83/1022967583.db2.gz DIZPBMXEEKIWCS-JXMROGBWSA-N -1 1 304.349 3.987 20 30 DHEDMM CC(N=Nc1ncnc2sccc21)c1ccc([O-])c(Cl)c1 ZINC000768774331 1023024025 /nfs/dbraw/zinc/02/40/25/1023024025.db2.gz SDCDJSWWSZQMMY-UHFFFAOYSA-N -1 1 318.789 3.886 20 30 DHEDMM N#CC(=C([O-])c1ccc(C#N)c(Cl)c1)c1nc2ccccc2[nH]1 ZINC000123686844 1023058401 /nfs/dbraw/zinc/05/84/01/1023058401.db2.gz CFSNKIDZOACBEK-LBPRGKRZSA-N -1 1 320.739 3.578 20 30 DHEDMM CC(N=Nc1c(F)cccc1Cl)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000769827367 1023223046 /nfs/dbraw/zinc/22/30/46/1023223046.db2.gz UYCZBNYITJKFNV-UHFFFAOYSA-N -1 1 323.711 3.929 20 30 DHEDMM COc1ncc(C(=O)/C=C\c2ccc([O-])c(Cl)c2)cc1Cl ZINC000789157110 1024009641 /nfs/dbraw/zinc/00/96/41/1024009641.db2.gz JGQLCINSKXCGFJ-RQOWECAXSA-N -1 1 324.163 3.999 20 30 DHEDMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2ccco2)cc1 ZINC000128570866 1024194051 /nfs/dbraw/zinc/19/40/51/1024194051.db2.gz PNRBUNSRXYXPKB-OAHLLOKOSA-N -1 1 310.353 3.583 20 30 DHEDMM C=C[C@H](CC(=O)Nc1nc(Cl)ccc1[O-])c1ccccc1 ZINC000790047304 1024212588 /nfs/dbraw/zinc/21/25/88/1024212588.db2.gz JRXZELGALYLQFV-LLVKDONJSA-N -1 1 302.761 3.739 20 30 DHEDMM C=CC[C@H](C(=O)Nc1nc(Cl)ccc1[O-])c1ccccc1 ZINC000790047236 1024212749 /nfs/dbraw/zinc/21/27/49/1024212749.db2.gz AYAMASUGYSDDMY-LBPRGKRZSA-N -1 1 302.761 3.739 20 30 DHEDMM COc1ccc(C#N)cc1NCc1c([O-])ccc(Cl)c1F ZINC000792173951 1024642142 /nfs/dbraw/zinc/64/21/42/1024642142.db2.gz MOHJVPHMOAFSDP-UHFFFAOYSA-N -1 1 306.724 3.677 20 30 DHEDMM COc1cccc(/C=C/C(=O)c2ccc([O-])cc2)c1OC(F)F ZINC000006338549 1024683639 /nfs/dbraw/zinc/68/36/39/1024683639.db2.gz WWGBFJBAYXOSTM-JXMROGBWSA-N -1 1 320.291 3.898 20 30 DHEDMM C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632545112 1024790235 /nfs/dbraw/zinc/79/02/35/1024790235.db2.gz VWRJBBFOUJRKML-MNOVXSKESA-N -1 1 319.373 3.630 20 30 DHEDMM COc1ccc(OC)c(C(=O)/C=C/c2ccc([O-])c(Cl)c2)c1 ZINC000067005842 1024865820 /nfs/dbraw/zinc/86/58/20/1024865820.db2.gz AAOVEPMZJDILQY-ZZXKWVIFSA-N -1 1 318.756 3.959 20 30 DHEDMM COc1cc(/C=C/C(=O)c2ccc(C#N)s2)cc(Cl)c1[O-] ZINC000134500105 1025114065 /nfs/dbraw/zinc/11/40/65/1025114065.db2.gz XVBOIUTVDPEBKT-DUXPYHPUSA-N -1 1 319.769 3.883 20 30 DHEDMM Cc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c(C)n1C ZINC000353885336 1025279076 /nfs/dbraw/zinc/27/90/76/1025279076.db2.gz CCQIMDMZZHNSNX-CYBMUJFWSA-N -1 1 301.415 3.712 20 30 DHEDMM Cc1csc(C(C#N)=C([O-])c2cccc(Br)c2)n1 ZINC000041520309 1025409232 /nfs/dbraw/zinc/40/92/32/1025409232.db2.gz SBHMGAZENRHHQE-LLVKDONJSA-N -1 1 321.199 3.704 20 30 DHEDMM CC(C)c1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)nc1 ZINC000355121713 1025608662 /nfs/dbraw/zinc/60/86/62/1025608662.db2.gz WEWJQMKSJZJKOY-CYBMUJFWSA-N -1 1 304.353 3.571 20 30 DHEDMM CCCOc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)c(C)c1 ZINC000614297040 1026047415 /nfs/dbraw/zinc/04/74/15/1026047415.db2.gz MDHHYJGRYXUPEZ-UHFFFAOYSA-N -1 1 310.353 3.613 20 30 DHEDMM CN(Cc1csc2ccccc12)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614296722 1026051448 /nfs/dbraw/zinc/05/14/48/1026051448.db2.gz PLNVPWGKXBOKID-UHFFFAOYSA-N -1 1 322.389 3.751 20 30 DHEDMM O=C1c2ccc([O-])cc2C/C1=C/c1cc(O)cc(C(F)(F)F)c1 ZINC000811694600 1027069213 /nfs/dbraw/zinc/06/92/13/1027069213.db2.gz URZGLQUVRIPHMH-JYOAFUTRSA-N -1 1 320.266 3.939 20 30 DHEDMM COc1ccc(C(=O)/C=C\c2ccc([O-])c(Cl)c2)cc1O ZINC000811697882 1027071098 /nfs/dbraw/zinc/07/10/98/1027071098.db2.gz HTKKJVHLCJFGQH-DJWKRKHSSA-N -1 1 304.729 3.656 20 30 DHEDMM O=C(/C=C/c1ccc(OC(F)F)cc1)c1cc(O)ccc1[O-] ZINC000156654849 1027141035 /nfs/dbraw/zinc/14/10/35/1027141035.db2.gz WYSBCKJVXNWEGT-XVNBXDOJSA-N -1 1 306.264 3.595 20 30 DHEDMM COc1ccc([O-])c(C(=O)/C=C/c2ccc3ncccc3c2)c1 ZINC000156692657 1027147303 /nfs/dbraw/zinc/14/73/03/1027147303.db2.gz BBNSDLXTDSUSGC-VMPITWQZSA-N -1 1 305.333 3.845 20 30 DHEDMM O=C1c2ccc([O-])cc2O/C1=C/c1ccc(Br)s1 ZINC000016976111 1027334132 /nfs/dbraw/zinc/33/41/32/1027334132.db2.gz KORULWWVKXFSRI-IZZDOVSWSA-N -1 1 323.167 3.832 20 30 DHEDMM Cc1nc(SCc2cc(C#N)ccc2F)[n-]c(=O)c1C1CC1 ZINC000601088421 1027981593 /nfs/dbraw/zinc/98/15/93/1027981593.db2.gz PYHLZNRZDULVGH-UHFFFAOYSA-N -1 1 315.373 3.671 20 30 DHEDMM CC(=NNc1nc2ccccc2s1)c1csc(C(=O)[O-])c1 ZINC000814685973 1028152526 /nfs/dbraw/zinc/15/25/26/1028152526.db2.gz ZHVYXRRTMBLQBP-UHFFFAOYSA-N -1 1 317.395 3.892 20 30 DHEDMM [O-]c1cccc(C=NNCc2cccc3cccnc32)c1Cl ZINC000814803987 1028231100 /nfs/dbraw/zinc/23/11/00/1028231100.db2.gz UPXFXVDHFZKXDC-UHFFFAOYSA-N -1 1 311.772 3.718 20 30 DHEDMM Cc1c(NN=Cc2cccc([O-])c2Cl)cccc1[N+](=O)[O-] ZINC000814833816 1028236463 /nfs/dbraw/zinc/23/64/63/1028236463.db2.gz LGXGNFVAFBSUDF-UHFFFAOYSA-N -1 1 305.721 3.708 20 30 DHEDMM Cc1ccc(C(=O)[O-])cc1C(C)N=Nc1ccc(F)c(F)c1F ZINC000814945663 1028302072 /nfs/dbraw/zinc/30/20/72/1028302072.db2.gz KIUGQPJETKFKET-UHFFFAOYSA-N -1 1 322.286 3.947 20 30 DHEDMM C=CCC(F)(F)C(=O)[N-][C@](C)(c1ccccc1)C(F)(F)F ZINC000816115126 1028744343 /nfs/dbraw/zinc/74/43/43/1028744343.db2.gz HMJCXOBCVBZCON-GFCCVEGCSA-N -1 1 307.262 3.792 20 30 DHEDMM C=C[C@@H]1OCCC[C@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000569094337 1029175786 /nfs/dbraw/zinc/17/57/86/1029175786.db2.gz VOJPMJQSHAXQIA-YPMHNXCESA-N -1 1 306.749 3.544 20 30 DHEDMM Cc1c(=O)[n-]c(SCC2(C#N)CCC2)nc1-c1ccccc1 ZINC000569781379 1029265326 /nfs/dbraw/zinc/26/53/26/1029265326.db2.gz WNFRHFZYPSXEQL-UHFFFAOYSA-N -1 1 311.410 3.944 20 30 DHEDMM C=CCN(Cc1cccs1)C(=O)c1ncc2ccccc2c1[O-] ZINC001136047589 1029265638 /nfs/dbraw/zinc/26/56/38/1029265638.db2.gz BYTQQAJQWWMUBV-UHFFFAOYSA-N -1 1 324.405 3.830 20 30 DHEDMM CC(C)c1nsc([N-]c2cnn(Cc3ccc(C#N)cc3)c2)n1 ZINC000866116757 1030132291 /nfs/dbraw/zinc/13/22/91/1030132291.db2.gz VJZMPFDSFKVQJT-UHFFFAOYSA-N -1 1 324.413 3.522 20 30 DHEDMM COc1cc(C)c(N[C@H](C)c2cccc(C#N)c2[O-])cc1OC ZINC000866314301 1030221105 /nfs/dbraw/zinc/22/11/05/1030221105.db2.gz DELWYGUKDDGWQV-GFCCVEGCSA-N -1 1 312.369 3.763 20 30 DHEDMM COCc1ccc(C([O-])=C(C#N)c2nc3ccccc3s2)cc1 ZINC000041503500 1033328861 /nfs/dbraw/zinc/32/88/61/1033328861.db2.gz LMSRMMPACHHXAM-AWEZNQCLSA-N -1 1 322.389 3.933 20 30 DHEDMM CC(=NNCCC(F)(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000794553723 1034182518 /nfs/dbraw/zinc/18/25/18/1034182518.db2.gz XLOAXCWRZPMMMO-UHFFFAOYSA-N -1 1 315.122 3.965 20 30 DHEDMM O=C1c2ccc([O-])cc2O/C1=C\c1cscc1Br ZINC000794699853 1034392560 /nfs/dbraw/zinc/39/25/60/1034392560.db2.gz TYRIKAJEVHNLGO-BASWHVEKSA-N -1 1 323.167 3.832 20 30 DHEDMM O=C(/C=C/C=C/c1ccc(F)c(F)c1)c1cc(O)ccc1[O-] ZINC000794702747 1034395829 /nfs/dbraw/zinc/39/58/29/1034395829.db2.gz RXINWOBCYOFJBY-ZPUQHVIOSA-N -1 1 302.276 3.828 20 30 DHEDMM CCCn1nc(C)c(/C=C/C(=O)c2cc([O-])cc(F)c2)c1C ZINC000899417333 1034655023 /nfs/dbraw/zinc/65/50/23/1034655023.db2.gz CATGISWVUDGZLW-AATRIKPKSA-N 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/nfs/dbraw/zinc/71/53/28/1037715328.db2.gz FQUNGDMMEHFHSX-UHFFFAOYSA-N -1 1 311.172 3.634 20 30 DHEDMM CCCCCCCCS(=O)(=O)[N-]c1cn(C2CCC2)cn1 ZINC001188001006 1037775914 /nfs/dbraw/zinc/77/59/14/1037775914.db2.gz CHKYJAHSMVJFKV-UHFFFAOYSA-N -1 1 313.467 3.710 20 30 DHEDMM N#Cc1ccc(Cl)c(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000586801872 1037959877 /nfs/dbraw/zinc/95/98/77/1037959877.db2.gz ZTYADESNFJYZCQ-UHFFFAOYSA-N -1 1 307.136 3.823 20 30 DHEDMM O=C(C=Cc1c[nH]nc1-c1ccccc1F)c1cc(O)ccc1[O-] ZINC000156643295 1038173356 /nfs/dbraw/zinc/17/33/56/1038173356.db2.gz MAJQICPACFWJGS-FNORWQNLSA-N -1 1 324.311 3.523 20 30 DHEDMM COc1cc(/C=C/C(=O)c2cc(O)ccc2[O-])ccc1SC ZINC000156645257 1038176175 /nfs/dbraw/zinc/17/61/75/1038176175.db2.gz FWHVNZULWFIQSS-ZZXKWVIFSA-N -1 1 316.378 3.724 20 30 DHEDMM COc1cc(/C=C/C(=O)c2cc(C)ccc2[O-])ccc1OCC#N ZINC000156697028 1038196496 /nfs/dbraw/zinc/19/64/96/1038196496.db2.gz VOZAMMQOCBCVCI-QPJJXVBHSA-N -1 1 323.348 3.508 20 30 DHEDMM C=CCC1(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cn2)CC1 ZINC001190765682 1038381837 /nfs/dbraw/zinc/38/18/37/1038381837.db2.gz BVGQBVTZAZFRDQ-UHFFFAOYSA-N -1 1 314.410 3.599 20 30 DHEDMM C=CCC1(S(=O)(=O)[N-]c2cccc(F)c2C(F)(F)F)CC1 ZINC001190814014 1038398062 /nfs/dbraw/zinc/39/80/62/1038398062.db2.gz WJEFCCLVQBLSDC-UHFFFAOYSA-N -1 1 323.311 3.695 20 30 DHEDMM Cc1ccc([C@@H]2CCCN2C(=O)c2cc([O-])cc(C#N)c2)cc1C ZINC000589170863 1038437638 /nfs/dbraw/zinc/43/76/38/1038437638.db2.gz CORHPEMSJNCGJX-IBGZPJMESA-N -1 1 320.392 3.858 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)Nc2cc(-c3ccccc3)ns2)c1 ZINC000589181013 1038445084 /nfs/dbraw/zinc/44/50/84/1038445084.db2.gz ORMXWKHNAJKFCF-UHFFFAOYSA-N -1 1 321.361 3.640 20 30 DHEDMM CC[C@H](CN(CC)C(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000589207843 1038449376 /nfs/dbraw/zinc/44/93/76/1038449376.db2.gz STWZMPZQSUTGKU-MRXNPFEDSA-N -1 1 322.408 3.920 20 30 DHEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc2c(c1)CCCC2 ZINC000589206150 1038449782 /nfs/dbraw/zinc/44/97/82/1038449782.db2.gz KOPGFNGZZSOTDM-ZDUSSCGKSA-N -1 1 320.392 3.634 20 30 DHEDMM Cc1ccc(Cl)c(NC(=O)Nc2ccc(C#N)cc2[O-])c1 ZINC001191707321 1038530449 /nfs/dbraw/zinc/53/04/49/1038530449.db2.gz IJEYOCUAFBNNIS-UHFFFAOYSA-N -1 1 301.733 3.870 20 30 DHEDMM Cc1cc(NC(=O)Nc2ccc(C#N)cc2[O-])ccc1Cl ZINC001191771463 1038536272 /nfs/dbraw/zinc/53/62/72/1038536272.db2.gz HAPTYQUUBPJQHJ-UHFFFAOYSA-N -1 1 301.733 3.870 20 30 DHEDMM N#Cc1cccc(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)c1 ZINC000590415137 1038638793 /nfs/dbraw/zinc/63/87/93/1038638793.db2.gz FEFPNLXOXJWMFI-UHFFFAOYSA-N -1 1 306.243 3.535 20 30 DHEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000590917074 1038726619 /nfs/dbraw/zinc/72/66/19/1038726619.db2.gz DBGOKLSTWCQVDM-MOPGFXCFSA-N -1 1 320.392 3.672 20 30 DHEDMM Cc1sccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000601979181 1040840881 /nfs/dbraw/zinc/84/08/81/1040840881.db2.gz IMCDJBNIECFAEE-UHFFFAOYSA-N -1 1 320.439 3.659 20 30 DHEDMM CC(C)c1ccc(C(=O)N2CCc3cc(C#N)ccc32)c([O-])c1 ZINC000597771057 1040890268 /nfs/dbraw/zinc/89/02/68/1040890268.db2.gz CVZIGFUAYVJDTM-UHFFFAOYSA-N -1 1 306.365 3.590 20 30 DHEDMM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc(C#N)c([O-])c2)o1 ZINC000188598846 200273395 /nfs/dbraw/zinc/27/33/95/200273395.db2.gz BSRQPCSLBAMGHX-LRDDRELGSA-N -1 1 324.380 3.779 20 30 DHEDMM Cc1ccc([C@H]2CCCCN2C(=O)c2ccc(C#N)c([O-])c2)o1 ZINC000188529057 200261352 /nfs/dbraw/zinc/26/13/52/200261352.db2.gz BJENLXXQDAQUHQ-OAHLLOKOSA-N -1 1 310.353 3.533 20 30 DHEDMM C[C@@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)CC[C@H]1c1ccccc1 ZINC000188557717 200266008 /nfs/dbraw/zinc/26/60/08/200266008.db2.gz LJZOVBDSOWPUHB-RDTXWAMCSA-N -1 1 320.392 3.530 20 30 DHEDMM CC(C)(C)c1cc(C#N)c([N-]C(=O)c2ncc(F)cc2F)s1 ZINC000297806245 132034820 /nfs/dbraw/zinc/03/48/20/132034820.db2.gz OYGVUIPFKGZOCP-UHFFFAOYSA-N -1 1 321.352 3.843 20 30 DHEDMM C[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)c1cccc(C#N)c1 ZINC000558462498 331909774 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N#Cc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1Cl ZINC000575908342 1027523615 /nfs/dbraw/zinc/52/36/15/1027523615.db2.gz UIVJUSSVWPHIMC-UHFFFAOYSA-N -1 1 315.691 3.773 20 30 DHEDMM CCc1ccc([C@H](C#N)NC(=O)c2c([O-])cccc2Cl)cc1 ZINC000813679706 1027695937 /nfs/dbraw/zinc/69/59/37/1027695937.db2.gz ZSFZNXYUDPNXQG-AWEZNQCLSA-N -1 1 314.772 3.603 20 30 DHEDMM CC(N=Nc1ccc(F)c(F)c1F)c1cccc(C(=O)[O-])c1 ZINC000814945782 1028303246 /nfs/dbraw/zinc/30/32/46/1028303246.db2.gz PMUARGJXDRXDCC-UHFFFAOYSA-N -1 1 308.259 3.638 20 30 DHEDMM N#Cc1ccsc1C(=O)[N-]c1nnc(C2CCCCC2)s1 ZINC000748053306 1028777699 /nfs/dbraw/zinc/77/76/99/1028777699.db2.gz BTJCRPBKKBIUCZ-UHFFFAOYSA-N -1 1 318.427 3.771 20 30 DHEDMM O=C1c2ccc([O-])cc2O/C1=C\c1ccc(Cl)nc1Cl ZINC000779357960 1029204782 /nfs/dbraw/zinc/20/47/82/1029204782.db2.gz DEACSOJYQBDBIZ-WZUFQYTHSA-N -1 1 308.120 3.710 20 30 DHEDMM CCc1ccc([C@@H](NC(=O)c2ccc(C#N)c([O-])c2)C(C)C)cc1 ZINC001135978536 1029235531 /nfs/dbraw/zinc/23/55/31/1029235531.db2.gz 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/nfs/dbraw/zinc/10/95/29/1031109529.db2.gz IHLGWPPPNDHTOV-UKNJIDDLSA-N -1 1 324.174 3.826 20 30 DHEDMM O=C1c2ccc([O-])cc2O/C1=C\c1ccc(OC(F)F)cc1 ZINC000208886636 1031192353 /nfs/dbraw/zinc/19/23/53/1031192353.db2.gz AVXDNNCTNGAOIV-AUWJEWJLSA-N -1 1 304.248 3.610 20 30 DHEDMM C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000928387812 1031298361 /nfs/dbraw/zinc/29/83/61/1031298361.db2.gz RWQIPVPKBNEUES-KUHUBIRLSA-N -1 1 320.392 3.672 20 30 DHEDMM C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000928388346 1031299264 /nfs/dbraw/zinc/29/92/64/1031299264.db2.gz TWJWTQGZRMZNGO-RDTXWAMCSA-N -1 1 320.392 3.672 20 30 DHEDMM CCCCCCCCCS(=O)(=O)[N-]c1cc(CC#N)ccn1 ZINC000844824620 1031364407 /nfs/dbraw/zinc/36/44/07/1031364407.db2.gz CZFWDFYKONMYHD-UHFFFAOYSA-N -1 1 323.462 3.640 20 30 DHEDMM COCc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000080451017 1031365867 /nfs/dbraw/zinc/36/58/67/1031365867.db2.gz ARNLBBIKIWRCHE-AWEZNQCLSA-N -1 1 314.410 3.903 20 30 DHEDMM 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COc1ccc([O-])c(C(=O)/C=C/c2coc(-c3ccccc3)n2)c1 ZINC000156682971 1038183805 /nfs/dbraw/zinc/18/38/05/1038183805.db2.gz PRSOFIMLKYWTPH-VQHVLOKHSA-N -1 1 321.332 3.952 20 30 DHEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1C#N ZINC001190499545 1038326430 /nfs/dbraw/zinc/32/64/30/1038326430.db2.gz CGZXBOQCXVFYAB-UHFFFAOYSA-N -1 1 312.394 3.545 20 30 DHEDMM CC(C)Oc1ccccc1[C@@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589170203 1038437353 /nfs/dbraw/zinc/43/73/53/1038437353.db2.gz QONUTSRGBTYOKW-CYBMUJFWSA-N -1 1 324.380 3.542 20 30 DHEDMM CCOc1ccccc1[C@@H](CC)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589175192 1038439624 /nfs/dbraw/zinc/43/96/24/1038439624.db2.gz FZNIEABTWGJCNK-QGZVFWFLSA-N -1 1 324.380 3.544 20 30 DHEDMM CCCCCCCNC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001191111801 1038441623 /nfs/dbraw/zinc/44/16/23/1038441623.db2.gz SZLNPZHAPLTJOU-UHFFFAOYSA-N -1 1 316.405 3.670 20 30 DHEDMM CC(C)C[C@@H]1CCCCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589188618 1038444781 /nfs/dbraw/zinc/44/47/81/1038444781.db2.gz BWRLAWQWPZACLA-INIZCTEOSA-N -1 1 300.402 3.695 20 30 DHEDMM CC(C)c1ccc(CCCNC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000589182234 1038444825 /nfs/dbraw/zinc/44/48/25/1038444825.db2.gz LXJDIYPDPMNZLY-UHFFFAOYSA-N -1 1 322.408 3.750 20 30 DHEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc2c(c1)CCCC2 ZINC000589206146 1038448637 /nfs/dbraw/zinc/44/86/37/1038448637.db2.gz KOPGFNGZZSOTDM-CYBMUJFWSA-N -1 1 320.392 3.634 20 30 DHEDMM Cc1ccc(Cl)c(NC(=O)Nc2c([O-])cccc2C#N)c1 ZINC001191706672 1038530486 /nfs/dbraw/zinc/53/04/86/1038530486.db2.gz BSPKWFHDQHVCGK-UHFFFAOYSA-N -1 1 301.733 3.870 20 30 DHEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000591321541 1038817385 /nfs/dbraw/zinc/81/73/85/1038817385.db2.gz UBDSGKBMVNQLCI-CVEARBPZSA-N -1 1 300.402 3.551 20 30 DHEDMM O=C1c2ccc([O-])cc2CCC1=Cc1c[nH]c(-c2ccccc2)n1 ZINC000172678480 1039986338 /nfs/dbraw/zinc/98/63/38/1039986338.db2.gz MEPXBDHNWVGUGP-GDNBJRDFSA-N -1 1 316.360 3.995 20 30 DHEDMM 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CC(C)(C)c1cnc(C(=O)[N-]c2c(C#N)oc3ccccc32)cn1 ZINC001192783308 1038698616 /nfs/dbraw/zinc/69/86/16/1038698616.db2.gz RDUVAPBCZRLKSL-UHFFFAOYSA-N -1 1 320.352 3.644 20 30 DHEDMM CC1(C)CCC[C@@H]1[C@@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000592875378 1039299246 /nfs/dbraw/zinc/29/92/46/1039299246.db2.gz XATFCFRYTDJCOX-HZPDHXFCSA-N -1 1 312.413 3.552 20 30 DHEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc2occc2s1 ZINC000606144837 1039780823 /nfs/dbraw/zinc/78/08/23/1039780823.db2.gz DNPCNKWNMSVZOY-SNVBAGLBSA-N -1 1 321.361 3.871 20 30 DHEDMM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188464213 200250927 /nfs/dbraw/zinc/25/09/27/200250927.db2.gz WJLVFHISCYAMBP-RHSMWYFYSA-N -1 1 320.392 3.591 20 30 DHEDMM CCc1ccc(C(=O)N(CCC#N)c2ccc(F)cc2)c([O-])c1 ZINC000558688471 331935740 /nfs/dbraw/zinc/93/57/40/331935740.db2.gz PPZOWPWNUCMKRH-UHFFFAOYSA-N -1 1 312.344 3.654 20 30 DHEDMM CCOc1cc(-c2noc([C@@](C)(C#N)CC)n2)cc(Cl)c1[O-] ZINC000289053495 334163132 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O=C([O-])C1CCC(/N=C\c2cc(Cl)cc(Cl)c2O)CC1 ZINC000739560600 600033524 /nfs/dbraw/zinc/03/35/24/600033524.db2.gz RSRLURISOSTHEF-IDUWFGFVSA-N -1 1 316.184 3.761 20 30 DHEDMM C=CCN(Cc1cccc(C#N)c1)Cc1ccc(F)cc1C(=O)[O-] ZINC000736108900 600090124 /nfs/dbraw/zinc/09/01/24/600090124.db2.gz VJCXSLMDFDIRDL-UHFFFAOYSA-N -1 1 324.355 3.584 20 30 DHEDMM O=C([O-])c1ccc2[nH]cc(C=NNc3cccc(F)c3F)c2c1 ZINC000833324710 600724677 /nfs/dbraw/zinc/72/46/77/600724677.db2.gz DNPSNBRIEKGIDK-UHFFFAOYSA-N -1 1 315.279 3.590 20 30 DHEDMM C[C@@]1(NCc2cccc(C(=O)[O-])c2C#N)CCCc2ccccc21 ZINC000833573968 604615767 /nfs/dbraw/zinc/61/57/67/604615767.db2.gz ZLXQEGAYMSLCEK-HXUWFJFHSA-N -1 1 320.392 3.598 20 30 DHEDMM Cc1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)c(C)s1 ZINC000822162251 606389218 /nfs/dbraw/zinc/38/92/18/606389218.db2.gz ZMFAQXPLWWTNBB-HYXAFXHYSA-N -1 1 316.411 3.503 20 30 DHEDMM CC(C)CCCC(C)N=Nc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000820242913 606988818 /nfs/dbraw/zinc/98/88/18/606988818.db2.gz QZLCZRACLMNVHE-UHFFFAOYSA-N 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COc1ccc2oc(/C=C3/Oc4cc([O-])ccc4C3=O)cc2c1 ZINC000763290472 1037560043 /nfs/dbraw/zinc/56/00/43/1037560043.db2.gz PZYBXWAGNZMTSQ-RQZCQDPDSA-N -1 1 308.289 3.763 20 30 DHEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1cnn(-c3ccccc3)c1)O2 ZINC000915988875 1037640010 /nfs/dbraw/zinc/64/00/10/1037640010.db2.gz MBMQYUREJPGEPB-CAOOACKPSA-N -1 1 318.332 3.503 20 30 DHEDMM CCCCCCCCS(=O)(=O)[N-]c1cccc2c1OCO2 ZINC001187992185 1037771184 /nfs/dbraw/zinc/77/11/84/1037771184.db2.gz BXIGHDAGXAMLNL-UHFFFAOYSA-N -1 1 313.419 3.518 20 30 DHEDMM CCCCCCCCS(=O)(=O)[N-]c1cccc(F)c1OC ZINC001187992826 1037773527 /nfs/dbraw/zinc/77/35/27/1037773527.db2.gz WXBXQGTUCFKETF-UHFFFAOYSA-N -1 1 317.426 3.937 20 30 DHEDMM CCCCCCCCS(=O)(=O)[N-]c1cc(F)cc(F)c1O ZINC001188018021 1037789556 /nfs/dbraw/zinc/78/95/56/1037789556.db2.gz PZCNTXQWMCHODL-UHFFFAOYSA-N -1 1 321.389 3.773 20 30 DHEDMM Cc1ccc(C(C)C)c(O)c1C(=O)Nc1ccc(C#N)cc1[O-] ZINC001188181528 1037837929 /nfs/dbraw/zinc/83/79/29/1037837929.db2.gz MYWRFHYBEFPDQU-UHFFFAOYSA-N -1 1 310.353 3.654 20 30 DHEDMM COc1ccc(NC(=O)Nc2ccc(C#N)cc2[O-])cc1Cl ZINC001188474623 1037907273 /nfs/dbraw/zinc/90/72/73/1037907273.db2.gz NFKAVQPOSFMAGQ-UHFFFAOYSA-N -1 1 317.732 3.570 20 30 DHEDMM CCCCCCCCCCS(=O)(=O)[N-]c1cc(C)n(C)n1 ZINC001201829459 1037910595 /nfs/dbraw/zinc/91/05/95/1037910595.db2.gz BHKGHZOEFVTHJL-UHFFFAOYSA-N -1 1 315.483 3.611 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)Nc2csc(-c3ccccc3)n2)c1 ZINC000588080140 1038227917 /nfs/dbraw/zinc/22/79/17/1038227917.db2.gz CNKWIAPGGFXMOK-UHFFFAOYSA-N -1 1 321.361 3.640 20 30 DHEDMM C=CCC1(S(=O)(=O)[N-]c2ccc3ccc(Cl)cc3n2)CC1 ZINC001190765956 1038381506 /nfs/dbraw/zinc/38/15/06/1038381506.db2.gz JQPLQIYUPFKTIB-UHFFFAOYSA-N -1 1 322.817 3.739 20 30 DHEDMM CC(C)CCC1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000589190729 1038447633 /nfs/dbraw/zinc/44/76/33/1038447633.db2.gz NPTPNTPJDBOHFC-UHFFFAOYSA-N -1 1 300.402 3.552 20 30 DHEDMM C[C@@H](C#N)c1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC001192538782 1038679606 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C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc(C#N)c([O-])c1 ZINC000331139084 334839110 /nfs/dbraw/zinc/83/91/10/334839110.db2.gz JLUQCNWIEYEELN-HBUWYVDXSA-N -1 1 320.392 3.671 20 30 DHEDMM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188568235 334863489 /nfs/dbraw/zinc/86/34/89/334863489.db2.gz IGICFXFBQKDSPI-SJKOYZFVSA-N -1 1 324.355 3.626 20 30 DHEDMM Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000190916251 335293217 /nfs/dbraw/zinc/29/32/17/335293217.db2.gz AHRGJUIFCOVADE-KRWDZBQOSA-N -1 1 306.365 3.550 20 30 DHEDMM Cc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)ccc1C1CC1 ZINC000359083492 336656992 /nfs/dbraw/zinc/65/69/92/336656992.db2.gz FWBLJSWDIXMDLE-UHFFFAOYSA-N -1 1 312.394 3.545 20 30 DHEDMM COc1cccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430583628 338109183 /nfs/dbraw/zinc/10/91/83/338109183.db2.gz NMOSPDNWFDGOIW-CYBMUJFWSA-N -1 1 314.410 3.939 20 30 DHEDMM CC(=Cc1ccc(Cl)c(Cl)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435338820 338237460 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C[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1Cl ZINC000736660698 600562551 /nfs/dbraw/zinc/56/25/51/600562551.db2.gz AGOZPLPBBAZZFR-MEDUHNTESA-N -1 1 314.772 3.688 20 30 DHEDMM C[C@H]1CC(=Cc2ccc(-c3nn[n-]n3)s2)C(=O)c2ccccc21 ZINC000824858258 607681413 /nfs/dbraw/zinc/68/14/13/607681413.db2.gz IOUBBKLXFPOKBD-RGAIUGGKSA-N -1 1 322.393 3.702 20 30 DHEDMM C[C@@H](c1ccccc1)N(Cc1cccc(C(=O)[O-])c1C#N)C1CC1 ZINC000833547609 604615475 /nfs/dbraw/zinc/61/54/75/604615475.db2.gz DIJQBVFYXYPNHN-AWEZNQCLSA-N -1 1 320.392 3.982 20 30 DHEDMM CC(C)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000824348003 608091777 /nfs/dbraw/zinc/09/17/77/608091777.db2.gz WLQIYRFOXGKFRL-VMPITWQZSA-N -1 1 324.409 3.948 20 30 DHEDMM CC(C)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000824348003 608091778 /nfs/dbraw/zinc/09/17/78/608091778.db2.gz WLQIYRFOXGKFRL-VMPITWQZSA-N -1 1 324.409 3.948 20 30 DHEDMM CN1CCc2c(C#N)c(Nc3cccc([S-])c3)sc2C1 ZINC001210945277 1014093900 /nfs/dbraw/zinc/09/39/00/1014093900.db2.gz IYMTUMVWVOUZPO-UHFFFAOYSA-N -1 1 301.440 3.640 20 30 DHEDMM N#CC(=C([O-])c1ccc2c(c1)COC2)c1nc2ccccc2s1 ZINC000050205204 1014109536 /nfs/dbraw/zinc/10/95/36/1014109536.db2.gz YTDRYNMHVZDURJ-AWEZNQCLSA-N -1 1 320.373 3.817 20 30 DHEDMM N#Cc1cccc(Br)c1Nc1ccc(F)c([O-])c1 ZINC001211218399 1014234948 /nfs/dbraw/zinc/23/49/48/1014234948.db2.gz SEJFIZQBFZTVNY-UHFFFAOYSA-N -1 1 307.122 3.909 20 30 DHEDMM CCCn1nc(C)c(/C=C/C(=O)c2cc(OC)ccc2[O-])c1C ZINC000160724676 1014512300 /nfs/dbraw/zinc/51/23/00/1014512300.db2.gz IFKYFXHKZYGBGO-VQHVLOKHSA-N -1 1 314.385 3.520 20 30 DHEDMM CCc1nc(C)c(C(C)=NNc2ccc(C(=O)[O-])cc2F)s1 ZINC000835011640 979245247 /nfs/dbraw/zinc/24/52/47/979245247.db2.gz ICCYNCLSLVFBST-UHFFFAOYSA-N -1 1 321.377 3.687 20 30 DHEDMM CC[C@@H](c1ccccc1)N(CC)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442950702 1014775455 /nfs/dbraw/zinc/77/54/55/1014775455.db2.gz YVLOSBDDFUHGHK-KRWDZBQOSA-N -1 1 308.381 3.877 20 30 DHEDMM CCCC[C@@H](/N=C/c1cc(Cl)cc(Cl)c1O)C(=O)[O-] ZINC001595634912 981895891 /nfs/dbraw/zinc/89/58/91/981895891.db2.gz YVIIUVAJTYGQOG-PFJSLNBISA-N -1 1 304.173 3.761 20 30 DHEDMM CCCN(Cc1ccc(/C=C\C(=O)[O-])o1)Cc1ccc(C#N)cc1 ZINC001595886123 982914173 /nfs/dbraw/zinc/91/41/73/982914173.db2.gz YUNVHUNMFAMOJG-KTKRTIGZSA-N -1 1 324.380 3.661 20 30 DHEDMM C=C(C)CN(Cc1cc(C(=O)[O-])c(C)n1C)Cc1ccccc1 ZINC001588567555 983647004 /nfs/dbraw/zinc/64/70/04/983647004.db2.gz MQHYBWLQSOHXKU-UHFFFAOYSA-N -1 1 312.413 3.610 20 30 DHEDMM C=CCN(CCc1ccccc1)Cc1cc(C(=O)[O-])ccc1F ZINC001588828712 984308134 /nfs/dbraw/zinc/30/81/34/984308134.db2.gz KLEAVUASQHEPQE-UHFFFAOYSA-N -1 1 313.372 3.755 20 30 DHEDMM O=C(/C=C\c1ccc([O-])c(Br)c1)c1cncc(F)c1 ZINC000255423035 1015932102 /nfs/dbraw/zinc/93/21/02/1015932102.db2.gz JBGITMRECQZXLU-IWQZZHSRSA-N -1 1 322.133 3.585 20 30 DHEDMM C[C@H](c1ccc(C#N)cc1)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001593685613 996116972 /nfs/dbraw/zinc/11/69/72/996116972.db2.gz BZUXGKXCAGFGBW-GFCCVEGCSA-N -1 1 324.355 3.515 20 30 DHEDMM COc1cc(/C=C2\Cc3cc([O-])ccc3C2=O)ccc1SC ZINC000588535262 1017055428 /nfs/dbraw/zinc/05/54/28/1017055428.db2.gz UUUUGQCFUHSVDW-NTUHNPAUSA-N -1 1 312.390 3.945 20 30 DHEDMM C[C@H](C#N)Oc1ccc(/C=C2\Cc3cc([O-])ccc3C2=O)cc1 ZINC000588535036 1017061422 /nfs/dbraw/zinc/06/14/22/1017061422.db2.gz DKSKKTGBAJSZCO-AZZDOICSSA-N -1 1 305.333 3.505 20 30 DHEDMM Cc1c(F)c(C)c(F)c(C(=O)Nc2ccc(C#N)cc2[O-])c1F ZINC001148762284 1032442351 /nfs/dbraw/zinc/44/23/51/1032442351.db2.gz WVILSTJZHRCUDA-UHFFFAOYSA-N -1 1 320.270 3.550 20 30 DHEDMM CC(C)C[C@H](C#N)NC(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148871670 1032448920 /nfs/dbraw/zinc/44/89/20/1032448920.db2.gz BWTSRSPVUHFLAZ-OAHLLOKOSA-N -1 1 308.381 3.727 20 30 DHEDMM O=C([O-])c1cccc(/C=C\C(=O)c2ccccc2O)c1Cl ZINC000588559649 1017874741 /nfs/dbraw/zinc/87/47/41/1017874741.db2.gz VEQMANIYZBCELY-HJWRWDBZSA-N -1 1 302.713 3.640 20 30 DHEDMM C=C(C)[C@@H](Cc1nc(-c2ccc([O-])cc2Cl)no1)OCC ZINC000278296607 1018530199 /nfs/dbraw/zinc/53/01/99/1018530199.db2.gz XDYCZUAOYCILSQ-CYBMUJFWSA-N -1 1 308.765 3.619 20 30 DHEDMM CC(=NNc1cc(C)ncn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000731935552 1020179061 /nfs/dbraw/zinc/17/90/61/1020179061.db2.gz FUAKSJGARHSPLX-UHFFFAOYSA-N -1 1 311.172 3.634 20 30 DHEDMM Cc1cc(=O)[n-]c(NN=C2CCCCc3ccc(Cl)cc32)n1 ZINC000735223461 1020704320 /nfs/dbraw/zinc/70/43/20/1020704320.db2.gz AUJCSLZVUNIJDV-UHFFFAOYSA-N -1 1 316.792 3.687 20 30 DHEDMM [O-]c1ccc(CN=Nc2cccc(C(F)(F)F)n2)cc1Cl ZINC000739421250 1020908189 /nfs/dbraw/zinc/90/81/89/1020908189.db2.gz IAMWIVJJCNKVGL-UHFFFAOYSA-N -1 1 315.682 3.905 20 30 DHEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1nccc3ccccc13)O2 ZINC000740765238 1020949396 /nfs/dbraw/zinc/94/93/96/1020949396.db2.gz STJGZXWEQTVCEM-YVLHZVERSA-N -1 1 303.317 3.865 20 30 DHEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1nccc3ccccc13)O2 ZINC000740765237 1020949718 /nfs/dbraw/zinc/94/97/18/1020949718.db2.gz STJGZXWEQTVCEM-LICLKQGHSA-N -1 1 303.317 3.865 20 30 DHEDMM COc1ccc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)cc1C#N ZINC000741849498 1021061455 /nfs/dbraw/zinc/06/14/55/1021061455.db2.gz YRPFZTBSPORTMV-SEEODLKFSA-N -1 1 323.323 3.795 20 30 DHEDMM COc1ccc(Cl)cc1/C=C1\Oc2cc([O-])ccc2C1=O ZINC000917143109 1021200311 /nfs/dbraw/zinc/20/03/11/1021200311.db2.gz HFHHNLKOWYOMIM-CHHVJCJISA-N -1 1 302.713 3.670 20 30 DHEDMM N#Cc1cc(NC(=O)Nc2cccc(C(F)(F)F)c2)ccc1[O-] ZINC001202297900 1021206710 /nfs/dbraw/zinc/20/67/10/1021206710.db2.gz DLSSYSKDLITFCC-UHFFFAOYSA-N -1 1 321.258 3.927 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H](c3ccccc3)CC2)c1 ZINC000776344342 1021299852 /nfs/dbraw/zinc/29/98/52/1021299852.db2.gz QFYPZCQEKWVHOL-KRWDZBQOSA-N -1 1 320.392 3.674 20 30 DHEDMM CC[C@H](CN(CC)C(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000189223437 1021352000 /nfs/dbraw/zinc/35/20/00/1021352000.db2.gz IOILDZBVMCDRDE-OAHLLOKOSA-N -1 1 322.408 3.920 20 30 DHEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccnc(Cl)c2)s1 ZINC000797566193 1021430130 /nfs/dbraw/zinc/43/01/30/1021430130.db2.gz BDVXWOMRRGDTKP-SNVBAGLBSA-N -1 1 319.817 3.979 20 30 DHEDMM C#Cc1cccc(N(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])c1 ZINC000182031662 1021443702 /nfs/dbraw/zinc/44/37/02/1021443702.db2.gz JRWCAUPERGPSBE-UHFFFAOYSA-N -1 1 319.282 3.669 20 30 DHEDMM CO[C@@H](C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)C1CCC1 ZINC000901378095 1022110428 /nfs/dbraw/zinc/11/04/28/1022110428.db2.gz CKJRMCOIRSCAJP-CYBMUJFWSA-N -1 1 318.200 3.526 20 30 DHEDMM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000620305843 1022125153 /nfs/dbraw/zinc/12/51/53/1022125153.db2.gz SSLRPWJGRQUULM-TXEJJXNPSA-N -1 1 311.303 3.734 20 30 DHEDMM Oc1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1Cl ZINC000921252833 1022233910 /nfs/dbraw/zinc/23/39/10/1022233910.db2.gz HGHAVIZFQRQWBM-UHFFFAOYSA-N -1 1 315.682 3.905 20 30 DHEDMM [O-]c1ccc(C=NNc2ccc(C(F)(F)F)cn2)cc1Cl ZINC000921252833 1022233924 /nfs/dbraw/zinc/23/39/24/1022233924.db2.gz HGHAVIZFQRQWBM-UHFFFAOYSA-N -1 1 315.682 3.905 20 30 DHEDMM N#C[C@@H](c1ccccc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000660024146 1022359122 /nfs/dbraw/zinc/35/91/22/1022359122.db2.gz JKFSMMJZSUZXTC-IBGZPJMESA-N -1 1 320.392 3.552 20 30 DHEDMM N#Cc1ccc(C(=O)/C=C\c2ccc([O-])c(Cl)c2)cc1F ZINC000776727328 1022454975 /nfs/dbraw/zinc/45/49/75/1022454975.db2.gz WBQGIZPMAMKZSY-KTAJNNJTSA-N -1 1 301.704 3.952 20 30 DHEDMM C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000617038254 1022832819 /nfs/dbraw/zinc/83/28/19/1022832819.db2.gz VQNPOZPCODANBN-SMDDNHRTSA-N -1 1 323.820 3.919 20 30 DHEDMM C=CC[C@@H]1CCCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000617787610 1023056490 /nfs/dbraw/zinc/05/64/90/1023056490.db2.gz SLJUPXULKZIJRX-LLVKDONJSA-N -1 1 324.218 3.583 20 30 DHEDMM C=CC[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000617780139 1023061524 /nfs/dbraw/zinc/06/15/24/1023061524.db2.gz PBJDHAXAKHEKEZ-NSHDSACASA-N -1 1 313.319 3.839 20 30 DHEDMM C=CCN(Cc1cccs1)C(=O)c1c([O-])cccc1Cl ZINC000769651271 1023192753 /nfs/dbraw/zinc/19/27/53/1023192753.db2.gz BQHXIUGHKJHUPS-UHFFFAOYSA-N -1 1 307.802 3.936 20 30 DHEDMM CCCCCCCCCN(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770256997 1023293205 /nfs/dbraw/zinc/29/32/05/1023293205.db2.gz CODRDZXBDNANJG-UHFFFAOYSA-N -1 1 323.393 3.518 20 30 DHEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1csc2ccccc21 ZINC000785587172 1023592091 /nfs/dbraw/zinc/59/20/91/1023592091.db2.gz HZGRNGYLTKRYQL-NSHDSACASA-N -1 1 322.389 3.970 20 30 DHEDMM COc1ccc2c(c1)C(=O)/C(=C\c1ccc([O-])c(F)c1)CS2 ZINC000786051621 1023656592 /nfs/dbraw/zinc/65/65/92/1023656592.db2.gz BFYHKLLIKXMPQO-WDZFZDKYSA-N -1 1 316.353 3.912 20 30 DHEDMM CC(C)(C)c1cnc(/C=C/C(=O)c2cc(O)ccc2[O-])s1 ZINC000790601712 1024334173 /nfs/dbraw/zinc/33/41/73/1024334173.db2.gz XENPKRQNZORXLL-VOTSOKGWSA-N -1 1 303.383 3.748 20 30 DHEDMM N#CCOc1cccc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000792174300 1024643959 /nfs/dbraw/zinc/64/39/59/1024643959.db2.gz QHNNCNYBBRXMNA-UHFFFAOYSA-N -1 1 306.724 3.699 20 30 DHEDMM O=C1c2ccc([O-])cc2O/C1=C/c1cccc(OC(F)F)c1 ZINC000747063116 1024657065 /nfs/dbraw/zinc/65/70/65/1024657065.db2.gz BFXRYDMIPRJPGA-VGOFMYFVSA-N -1 1 304.248 3.610 20 30 DHEDMM 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N#CC(=C([O-])C=Cc1ccco1)c1cc(C(F)(F)F)ccn1 ZINC000813215356 1027567451 /nfs/dbraw/zinc/56/74/51/1027567451.db2.gz XJRRINRRPOFFFV-PCAWENJQSA-N -1 1 306.243 3.583 20 30 DHEDMM Cn1nccc1-c1ccccc1/C=C1\Cc2cc([O-])ccc2C1=O ZINC000814189606 1027945430 /nfs/dbraw/zinc/94/54/30/1027945430.db2.gz GTHINBXFKIVHDS-XNTDXEJSSA-N -1 1 316.360 3.615 20 30 DHEDMM N#C[C@H](CCc1ccccc1)Sc1nc(C(F)F)cc(=O)[n-]1 ZINC000601082981 1027975876 /nfs/dbraw/zinc/97/58/76/1027975876.db2.gz XHHIOOJZEKRUPY-NSHDSACASA-N -1 1 321.352 3.737 20 30 DHEDMM Cc1cc(CSc2nc(C)c(C3CC3)c(=O)[n-]2)ccc1C#N ZINC000601088709 1027981498 /nfs/dbraw/zinc/98/14/98/1027981498.db2.gz YWDWHMWQTQMUHV-UHFFFAOYSA-N -1 1 311.410 3.840 20 30 DHEDMM CC(=NNc1ccc(F)c(F)c1F)c1cc(F)cc(F)c1[O-] ZINC000814946139 1028301996 /nfs/dbraw/zinc/30/19/96/1028301996.db2.gz FTZNYSHYEBVMTM-UHFFFAOYSA-N -1 1 316.229 3.924 20 30 DHEDMM C=CCC(F)(F)C(=O)[N-][C@@H]1COc2c1ccc(Cl)c2Cl ZINC000815711551 1028610455 /nfs/dbraw/zinc/61/04/55/1028610455.db2.gz 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1031172518 /nfs/dbraw/zinc/17/25/18/1031172518.db2.gz HRDDHYHEOAZLGQ-UPHRSURJSA-N -1 1 312.218 3.550 20 30 DHEDMM CCC(C)(C)CCS(=O)(=O)[N-]c1ccccc1O[C@H](C)C#N ZINC000872361556 1031590294 /nfs/dbraw/zinc/59/02/94/1031590294.db2.gz GRXNTDJDTCFANN-CYBMUJFWSA-N -1 1 324.446 3.545 20 30 DHEDMM CC(C)(C)CCCCCC(=O)N([O-])C(=N)c1ccccc1N ZINC001144682389 1031833414 /nfs/dbraw/zinc/83/34/14/1031833414.db2.gz NEINOJONCCBDPD-UHFFFAOYSA-N -1 1 305.422 3.809 20 30 DHEDMM COc1ccc(/C=C2/Cc3cc([O-])ccc3C2=O)cc1OC1CC1 ZINC000863187785 1034017206 /nfs/dbraw/zinc/01/72/06/1034017206.db2.gz FPVDEVVPSCNLQT-ZSOIEALJSA-N -1 1 322.360 3.764 20 30 DHEDMM N#Cc1c([O-])csc1NC1=CCCN(Cc2ccccc2)C1 ZINC001174394089 1034320555 /nfs/dbraw/zinc/32/05/55/1034320555.db2.gz ASNWFAJSTNAANJ-UHFFFAOYSA-N -1 1 311.410 3.527 20 30 DHEDMM C#Cc1ccc([N-]S(=O)(=O)c2ccc(C)c3ccccc32)cc1 ZINC001193865291 1035760742 /nfs/dbraw/zinc/76/07/42/1035760742.db2.gz XLBNAOCAHYIQGM-UHFFFAOYSA-N -1 1 321.401 3.930 20 30 DHEDMM CC(C)Cc1ccc(CC(=O)Nc2ccc(C#N)cc2[O-])cc1 ZINC001181821254 1036005186 /nfs/dbraw/zinc/00/51/86/1036005186.db2.gz WQNPJGQQSIFDLK-UHFFFAOYSA-N -1 1 308.381 3.644 20 30 DHEDMM Cc1ccc(F)cc1NC(=S)Nc1ccc(C#N)cc1[O-] ZINC001195914767 1036385230 /nfs/dbraw/zinc/38/52/30/1036385230.db2.gz WPCLOCGRSFZRCE-UHFFFAOYSA-N -1 1 301.346 3.520 20 30 DHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)Nc3ccc[nH]3)c2)c1 ZINC001196309633 1036490940 /nfs/dbraw/zinc/49/09/40/1036490940.db2.gz ZRABAQFOOSPWRA-UHFFFAOYSA-N -1 1 303.321 3.511 20 30 DHEDMM C=C(C)CN(CC)C(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196316811 1036511588 /nfs/dbraw/zinc/51/15/88/1036511588.db2.gz ZUXCMDKXTDCQDI-UHFFFAOYSA-N -1 1 320.392 3.969 20 30 DHEDMM CC(=NN=Cc1cc(Cl)c2ccccc2c1[O-])c1cnccn1 ZINC000774587225 1036526418 /nfs/dbraw/zinc/52/64/18/1036526418.db2.gz LVVZLICJCACWER-UHFFFAOYSA-N -1 1 324.771 3.832 20 30 DHEDMM O=C1c2ccc([O-])cc2O/C1=C\c1csc(Br)c1 ZINC000913617612 1036554729 /nfs/dbraw/zinc/55/47/29/1036554729.db2.gz OFAXFXYPWISESN-JYOAFUTRSA-N -1 1 323.167 3.832 20 30 DHEDMM Cc1nc(Cl)cc(Cl)c1C(=O)Nc1ccc(C#N)cc1[O-] ZINC001196692260 1036599855 /nfs/dbraw/zinc/59/98/55/1036599855.db2.gz AAKVQWBDLHRTRB-UHFFFAOYSA-N -1 1 322.151 3.526 20 30 DHEDMM COc1ccc([O-])c(C(=O)/C=C\c2ccc(Cl)nc2Cl)c1 ZINC000761478955 1036972314 /nfs/dbraw/zinc/97/23/14/1036972314.db2.gz ISVSNGUNFZVYLI-DJWKRKHSSA-N -1 1 324.163 3.999 20 30 DHEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(CC#N)c2)ccc1Cl ZINC001185529692 1037169163 /nfs/dbraw/zinc/16/91/63/1037169163.db2.gz KQWXTZJODDOOKL-UHFFFAOYSA-N -1 1 320.801 3.515 20 30 DHEDMM C=C(C)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)cc1C ZINC001198941789 1037169371 /nfs/dbraw/zinc/16/93/71/1037169371.db2.gz JATLPLLTZDIJHS-UHFFFAOYSA-N -1 1 317.410 3.838 20 30 DHEDMM CN(Cc1ccc(C#N)cc1)C(=O)c1cc2ccccc2cc1[O-] ZINC000032615103 1037265913 /nfs/dbraw/zinc/26/59/13/1037265913.db2.gz ZHUWGPLYTXSKIO-UHFFFAOYSA-N -1 1 316.360 3.689 20 30 DHEDMM N#Cc1c([O-])csc1NC(=S)Nc1cccc(Cl)c1 ZINC001201094415 1037523947 /nfs/dbraw/zinc/52/39/47/1037523947.db2.gz KOEUVRVCCOWMBH-UHFFFAOYSA-N -1 1 309.803 3.788 20 30 DHEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1ccc3ncccc3c1)O2 ZINC000915988945 1037639524 /nfs/dbraw/zinc/63/95/24/1037639524.db2.gz PDUAATPKIIITGP-MFOYZWKCSA-N -1 1 303.317 3.865 20 30 DHEDMM CCc1c2ccccc2oc1C(C)=NNc1nc(C)cc(=O)[n-]1 ZINC000916241875 1037719926 /nfs/dbraw/zinc/71/99/26/1037719926.db2.gz YVYNLEITOCWFQF-UHFFFAOYSA-N -1 1 310.357 3.635 20 30 DHEDMM CCCCCCCCS(=O)(=O)Nc1c(F)cc([O-])cc1F ZINC001188017914 1037790465 /nfs/dbraw/zinc/79/04/65/1037790465.db2.gz KIRPSSIILJVVCY-UHFFFAOYSA-N -1 1 321.389 3.773 20 30 DHEDMM CCCCCCCCS(=O)(=O)[N-]c1cccc(O)c1OC ZINC001188017897 1037790728 /nfs/dbraw/zinc/79/07/28/1037790728.db2.gz JOFVYPVYBLRYPC-UHFFFAOYSA-N -1 1 315.435 3.503 20 30 DHEDMM CC(C)(C)c1ccc(C(=O)Nc2ccc(C#N)cc2[O-])s1 ZINC001188253069 1037860649 /nfs/dbraw/zinc/86/06/49/1037860649.db2.gz WXYXZDLGCIKILL-UHFFFAOYSA-N -1 1 300.383 3.875 20 30 DHEDMM C#Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])cc1 ZINC001188735271 1037973134 /nfs/dbraw/zinc/97/31/34/1037973134.db2.gz UFCAIRFKZDAOJV-UHFFFAOYSA-N -1 1 305.255 3.645 20 30 DHEDMM C=CCC1(S(=O)(=O)[N-]c2cc(F)ccc2C(F)(F)F)CC1 ZINC001190813433 1038398321 /nfs/dbraw/zinc/39/83/21/1038398321.db2.gz ITZHAIJFKMPVFY-UHFFFAOYSA-N -1 1 323.311 3.695 20 30 DHEDMM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589187335 1038445207 /nfs/dbraw/zinc/44/52/07/1038445207.db2.gz XPCBIBRASFQBKG-KPZWWZAWSA-N -1 1 324.355 3.626 20 30 DHEDMM CC(C)CCN(C(=O)c1cc([O-])cc(C#N)c1)C1CCCC1 ZINC000589189037 1038447246 /nfs/dbraw/zinc/44/72/46/1038447246.db2.gz ZZPCAWLRKJTTPZ-UHFFFAOYSA-N -1 1 300.402 3.695 20 30 DHEDMM Cc1cc(C)cc([C@H]2CCN(C(=O)c3cc([O-])cc(C#N)c3)C2)c1 ZINC000589201941 1038448694 /nfs/dbraw/zinc/44/86/94/1038448694.db2.gz ORJYEDZEQIXIAQ-INIZCTEOSA-N -1 1 320.392 3.510 20 30 DHEDMM N#CCCC[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1ccccc1 ZINC000590476093 1038644774 /nfs/dbraw/zinc/64/47/74/1038644774.db2.gz VJLYHWDPCMVNMZ-MRXNPFEDSA-N -1 1 312.344 3.696 20 30 DHEDMM C[C@H](C#N)Oc1ccc(/C=C2/CCc3cc([O-])ccc3C2=O)cc1 ZINC000171541858 1039513766 /nfs/dbraw/zinc/51/37/66/1039513766.db2.gz IFZJUDIWYLMMBX-YDRQLGOLSA-N -1 1 319.360 3.896 20 30 DHEDMM COCCOc1ccc(/C=C2/CCc3cc([O-])ccc3C2=O)cc1 ZINC000171686769 1039590391 /nfs/dbraw/zinc/59/03/91/1039590391.db2.gz CLUOYXXUWQDVTQ-VBKFSLOCSA-N -1 1 324.376 3.630 20 30 DHEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1cccc(OC)c1 ZINC000669648683 1041139311 /nfs/dbraw/zinc/13/93/11/1041139311.db2.gz RDACLGMRSQJSEV-UHFFFAOYSA-N -1 1 317.410 3.615 20 30 DHEDMM C=C[C@@H](CCC(=O)[O-])NCc1csc(-c2ccc(C)cc2)n1 ZINC000417622170 335017562 /nfs/dbraw/zinc/01/75/62/335017562.db2.gz GRVYVSCGDKWTON-AWEZNQCLSA-N -1 1 316.426 3.628 20 30 DHEDMM Cc1c2ccccc2oc1[C@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000190737293 335083430 /nfs/dbraw/zinc/08/34/30/335083430.db2.gz HDNWXCLGTJFESA-LBPRGKRZSA-N -1 1 320.348 3.810 20 30 DHEDMM C=C(C)[C@H](NC(=O)c1ccc([O-])cc1F)c1ccc(F)c(F)c1 ZINC000184852114 333368020 /nfs/dbraw/zinc/36/80/20/333368020.db2.gz GAAVCKULGGWRGV-INIZCTEOSA-N -1 1 321.298 3.857 20 30 DHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1 ZINC000319798659 333407739 /nfs/dbraw/zinc/40/77/39/333407739.db2.gz UBFDYOUVRFDYRR-UHFFFAOYSA-N -1 1 314.410 3.791 20 30 DHEDMM CC(C)c1ccc2c(c1)[C@H](NC(=O)c1ccc(C#N)c([O-])c1)CC2 ZINC000442974431 338440802 /nfs/dbraw/zinc/44/08/02/338440802.db2.gz CEHWPUXBEUMQDF-GOSISDBHSA-N -1 1 320.392 3.805 20 30 DHEDMM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1ccc(C#N)c([O-])c1 ZINC000443103870 338444686 /nfs/dbraw/zinc/44/46/86/338444686.db2.gz CNRWIIQBGAZFPI-NEPJUHHUSA-N -1 1 324.355 3.551 20 30 DHEDMM CCC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cc1 ZINC000340940085 334395370 /nfs/dbraw/zinc/39/53/70/334395370.db2.gz BRJZSOZIPSMJHO-CQSZACIVSA-N -1 1 317.348 3.646 20 30 DHEDMM CC(C)(NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(Cl)c1 ZINC000188464074 334772125 /nfs/dbraw/zinc/77/21/25/334772125.db2.gz GFOHKJBQSKALBB-UHFFFAOYSA-N -1 1 314.772 3.582 20 30 DHEDMM N#Cc1ccc(C(=O)N2CCCC[C@H]2c2ccccc2)cc1[O-] ZINC000343841090 335196202 /nfs/dbraw/zinc/19/62/02/335196202.db2.gz CELVKNKQHSCXEJ-KRWDZBQOSA-N -1 1 306.365 3.631 20 30 DHEDMM N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2ccccc2)cc1[O-] ZINC000343841091 335196507 /nfs/dbraw/zinc/19/65/07/335196507.db2.gz CELVKNKQHSCXEJ-QGZVFWFLSA-N -1 1 306.365 3.631 20 30 DHEDMM N#Cc1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)s1 ZINC000445445801 337842845 /nfs/dbraw/zinc/84/28/45/337842845.db2.gz KKJHMNAYOYUJEF-UHFFFAOYSA-N -1 1 303.730 3.696 20 30 DHEDMM Cc1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c(C)n1C ZINC000430593304 338109418 /nfs/dbraw/zinc/10/94/18/338109418.db2.gz OSBGMILCMYUDAQ-CYBMUJFWSA-N -1 1 315.442 3.886 20 30 DHEDMM C=CCCS(=O)(=O)[N-]c1ccccc1Oc1cccc(F)c1 ZINC000431187959 338125398 /nfs/dbraw/zinc/12/53/98/338125398.db2.gz SXBORGJNFFKZSA-UHFFFAOYSA-N -1 1 321.373 3.936 20 30 DHEDMM C[C@@H](c1nc(-c2ccc([O-])cc2F)no1)c1cccc(C#N)c1 ZINC000436658645 338281859 /nfs/dbraw/zinc/28/18/59/338281859.db2.gz VMZWLFTZGKQFRA-SNVBAGLBSA-N -1 1 309.300 3.605 20 30 DHEDMM N#Cc1cccnc1/C=C\c1ccc([O-])c(Br)c1 ZINC000436935563 338294531 /nfs/dbraw/zinc/29/45/31/338294531.db2.gz WMWNNBGZBOAFES-HYXAFXHYSA-N -1 1 301.143 3.592 20 30 DHEDMM C=CCOCCCSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000475867109 339463192 /nfs/dbraw/zinc/46/31/92/339463192.db2.gz PSPKCQPZCZOPHW-UHFFFAOYSA-N -1 1 316.426 3.842 20 30 DHEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000172889760 340346248 /nfs/dbraw/zinc/34/62/48/340346248.db2.gz JVICEIBMDIMKFP-UHFFFAOYSA-N -1 1 314.410 3.791 20 30 DHEDMM Cc1ccc(C[C@H](C#N)Sc2nc(C3CC3)cc(=O)[n-]2)cc1 ZINC000195082403 340573957 /nfs/dbraw/zinc/57/39/57/340573957.db2.gz RPOLSDFSKZZLHQ-CQSZACIVSA-N -1 1 311.410 3.595 20 30 DHEDMM Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1C ZINC000077687718 341228909 /nfs/dbraw/zinc/22/89/09/341228909.db2.gz XUPDHOZVLRSHKB-UHFFFAOYSA-N -1 1 320.801 3.629 20 30 DHEDMM N#Cc1ccc(C(=O)N2CC3(CCC3)[C@@H]2c2ccccc2)cc1[O-] ZINC000548785560 341275463 /nfs/dbraw/zinc/27/54/63/341275463.db2.gz UXBNXMZKQKJRKZ-SFHVURJKSA-N -1 1 318.376 3.631 20 30 DHEDMM Cc1cc(CSc2nc(C(F)F)cc(=O)[n-]2)ccc1C#N ZINC000564391638 341392678 /nfs/dbraw/zinc/39/26/78/341392678.db2.gz IRMMBBLQVNENTF-UHFFFAOYSA-N -1 1 307.325 3.592 20 30 DHEDMM C#CCN(Cc1ccc(C(=O)[O-])s1)[C@H]1CCc2ccccc21 ZINC000825614672 601943006 /nfs/dbraw/zinc/94/30/06/601943006.db2.gz ULRZCOOYEAMNMY-INIZCTEOSA-N -1 1 311.406 3.569 20 30 DHEDMM C#CC[C@H](NCc1cc(C(=O)[O-])ccc1Cl)c1ccccc1 ZINC000833360985 605842904 /nfs/dbraw/zinc/84/29/04/605842904.db2.gz URSCPPSOQBCZBF-KRWDZBQOSA-N -1 1 313.784 3.892 20 30 DHEDMM C=CCC[C@@H](C(=O)[N-]OCCC(F)(F)F)c1ccccc1 ZINC000777974634 1032062223 /nfs/dbraw/zinc/06/22/23/1032062223.db2.gz OTYRFOZXNXQHFW-CYBMUJFWSA-N -1 1 301.308 3.737 20 30 DHEDMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])c1cccc(C#N)c1 ZINC000610366644 1013995586 /nfs/dbraw/zinc/99/55/86/1013995586.db2.gz OBTJNTWMGPYNPE-ZDUSSCGKSA-N -1 1 316.360 3.908 20 30 DHEDMM CC[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Cl)cc1 ZINC000442893952 1014764683 /nfs/dbraw/zinc/76/46/83/1014764683.db2.gz HEDITELJKMWZAB-HNNXBMFYSA-N -1 1 314.772 3.798 20 30 DHEDMM CC(C)CC[C@@H]1CCCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000443069658 1014800298 /nfs/dbraw/zinc/80/02/98/1014800298.db2.gz KFXWKQORCUXOCK-INIZCTEOSA-N -1 1 300.402 3.695 20 30 DHEDMM CC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccc(Cl)cn1 ZINC001589016766 984997716 /nfs/dbraw/zinc/99/77/16/984997716.db2.gz GUEXTHBHPMRTAC-UHFFFAOYSA-N -1 1 324.167 3.923 20 30 DHEDMM COc1cc(C)c(C(=O)/C=C\c2ccc([O-])c(F)c2)cc1OC ZINC000255357592 1015188504 /nfs/dbraw/zinc/18/85/04/1015188504.db2.gz YCLSPTCAPZXQFV-XQRVVYSFSA-N -1 1 316.328 3.753 20 30 DHEDMM CN(Cc1cccc(C(=O)[O-])c1C#N)[C@H]1CCCc2ccccc21 ZINC001598525287 992711773 /nfs/dbraw/zinc/71/17/73/992711773.db2.gz FMVOWVHLOVXGRM-IBGZPJMESA-N -1 1 320.392 3.766 20 30 DHEDMM COc1ccc2c(c1)C(=O)/C(=C/c1ccc([O-])c(Cl)c1)CO2 ZINC000255445372 1016145190 /nfs/dbraw/zinc/14/51/90/1016145190.db2.gz FLARWVWVFQFIFM-IZZDOVSWSA-N -1 1 316.740 3.713 20 30 DHEDMM O=C1c2ccc([O-])cc2C/C1=C/c1cc([N+](=O)[O-])ccc1Cl ZINC000588535179 1017053832 /nfs/dbraw/zinc/05/38/32/1017053832.db2.gz SFIXYSHKBLMPJT-WDZFZDKYSA-N -1 1 315.712 3.776 20 30 DHEDMM N#Cc1ccc(C(=O)N2CCCC3(CCCCC3)CC2)cc1[O-] ZINC000348207891 1032503936 /nfs/dbraw/zinc/50/39/36/1032503936.db2.gz ZSOIJMMVDJHIOW-UHFFFAOYSA-N -1 1 312.413 3.840 20 30 DHEDMM COc1cc(/C=C2/CCc3cc([O-])ccc3C2=O)cc(OC)c1 ZINC000143434264 1017566699 /nfs/dbraw/zinc/56/66/99/1017566699.db2.gz UGXAIBVNDKPPGM-AUWJEWJLSA-N -1 1 310.349 3.622 20 30 DHEDMM CC(C)Oc1ccccc1[C@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000527198429 1018533777 /nfs/dbraw/zinc/53/37/77/1018533777.db2.gz WNVCHEUFPZKHLZ-ZDUSSCGKSA-N -1 1 324.380 3.542 20 30 DHEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000063878500 1019085556 /nfs/dbraw/zinc/08/55/56/1019085556.db2.gz QCRQUBQCVDLOCG-UHFFFAOYSA-N -1 1 320.801 3.629 20 30 DHEDMM Cc1nsc([N-]C(=O)c2c(F)ccc(F)c2Cl)c1C#N ZINC001128320220 1019412065 /nfs/dbraw/zinc/41/20/65/1019412065.db2.gz ZJNMERUADOXJJD-UHFFFAOYSA-N -1 1 313.716 3.507 20 30 DHEDMM N#Cc1ccc(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)cc1[O-] ZINC000188278380 1020324598 /nfs/dbraw/zinc/32/45/98/1020324598.db2.gz AASYDIAURVDAPN-GOSISDBHSA-N -1 1 324.355 3.674 20 30 DHEDMM N#Cc1cccc(SCc2cc(=O)oc3cc([O-])ccc23)c1 ZINC000177098368 1020401332 /nfs/dbraw/zinc/40/13/32/1020401332.db2.gz IJJWSWMWWAKZRL-UHFFFAOYSA-N -1 1 309.346 3.663 20 30 DHEDMM CC(=NO[C@@H]1CCCCO1)c1cc(Cl)c(Cl)cc1[O-] ZINC000766028555 1020483452 /nfs/dbraw/zinc/48/34/52/1020483452.db2.gz CHJNPMYGYBMKNJ-CYBMUJFWSA-N -1 1 304.173 3.966 20 30 DHEDMM CCn1c2ccccc2nc1C(C)N=Nc1ccc(C(=O)[O-])cc1 ZINC000741449813 1021007022 /nfs/dbraw/zinc/00/70/22/1021007022.db2.gz QMPFURGZKBBNCO-UHFFFAOYSA-N -1 1 322.368 3.591 20 30 DHEDMM COc1ccc([O-])c(C(=O)/C=C/c2nc3c(s2)CCCC3)c1 ZINC000776266581 1021198011 /nfs/dbraw/zinc/19/80/11/1021198011.db2.gz SCWSCBJGNYNZKH-CMDGGOBGSA-N -1 1 315.394 3.632 20 30 DHEDMM Cc1cc(=O)[n-]c(NN=Cc2ccccc2-c2ccccc2)n1 ZINC000917528514 1021293904 /nfs/dbraw/zinc/29/39/04/1021293904.db2.gz AWFVRPVALFEVNZ-UHFFFAOYSA-N -1 1 304.353 3.604 20 30 DHEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1C(C)C ZINC000188974893 1021301029 /nfs/dbraw/zinc/30/10/29/1021301029.db2.gz VGBFPRMXKDXYMO-UHFFFAOYSA-N -1 1 314.410 3.791 20 30 DHEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C/c2cccc3cnccc23)c1 ZINC000782890123 1021372247 /nfs/dbraw/zinc/37/22/47/1021372247.db2.gz SIJZWGCVFVDAEA-GQCTYLIASA-N -1 1 319.316 3.535 20 30 DHEDMM C=CCOc1ccc(/C=C2/Oc3cc([O-])ccc3C2=O)cc1OC ZINC000209437773 1032975129 /nfs/dbraw/zinc/97/51/29/1032975129.db2.gz ALOFBMIQXIXYMP-VCHYOVAHSA-N -1 1 324.332 3.582 20 30 DHEDMM C=CCC1(NC(=O)c2cc(Cl)c([O-])c(OC)c2)CCCC1 ZINC000619115265 1021648535 /nfs/dbraw/zinc/64/85/35/1021648535.db2.gz ZRWDSLGDVSLJRE-UHFFFAOYSA-N -1 1 309.793 3.673 20 30 DHEDMM C=CCOc1ccc(/C=C2/Cc3cc([O-])ccc3C2=O)cc1OC ZINC000187230302 1021986580 /nfs/dbraw/zinc/98/65/80/1021986580.db2.gz BYNKRMHYQAYUBG-DHDCSXOGSA-N -1 1 322.360 3.788 20 30 DHEDMM CC(=NNC(=S)Nc1ccccc1)c1ccc([O-])c(Cl)c1 ZINC000768764459 1023015218 /nfs/dbraw/zinc/01/52/18/1023015218.db2.gz UNUUNBRZKISTCR-UHFFFAOYSA-N -1 1 319.817 3.756 20 30 DHEDMM CC(C)c1ccc(C(=O)Nc2cccc(OCC#N)c2)c([O-])c1 ZINC000769711547 1023198876 /nfs/dbraw/zinc/19/88/76/1023198876.db2.gz RCWWPKKTZLPTSU-UHFFFAOYSA-N -1 1 310.353 3.670 20 30 DHEDMM CCCCC(CC)=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000769810498 1023219322 /nfs/dbraw/zinc/21/93/22/1023219322.db2.gz QIQWHYAUROSQNB-UHFFFAOYSA-N -1 1 318.425 3.655 20 30 DHEDMM O=C1c2ccc([O-])cc2C/C1=C/c1cnc(-c2ccco2)s1 ZINC000789148514 1024005455 /nfs/dbraw/zinc/00/54/55/1024005455.db2.gz QOTOISAFTNQSBJ-FLIBITNWSA-N -1 1 309.346 3.931 20 30 DHEDMM C=CCSc1ccccc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790050476 1024212150 /nfs/dbraw/zinc/21/21/50/1024212150.db2.gz BKSOUTHBEXNLMC-UHFFFAOYSA-N -1 1 320.801 3.971 20 30 DHEDMM C=CC[C@@H](C(=O)Nc1nc(Cl)ccc1[O-])c1ccccc1 ZINC000790047234 1024213335 /nfs/dbraw/zinc/21/33/35/1024213335.db2.gz AYAMASUGYSDDMY-GFCCVEGCSA-N -1 1 302.761 3.739 20 30 DHEDMM C=CC(C)(C)c1nc(-c2cc(Cl)c([O-])c(OCC)c2)no1 ZINC000453172497 1024381167 /nfs/dbraw/zinc/38/11/67/1024381167.db2.gz XZSRCVBOFIRTLN-UHFFFAOYSA-N -1 1 308.765 3.958 20 30 DHEDMM Cc1cc([N-]c2nc(Cl)c(C#N)s2)nn1[C@H](C)C1CC1 ZINC000804610632 1025388587 /nfs/dbraw/zinc/38/85/87/1025388587.db2.gz HOBHHQDPERYBLV-MRVPVSSYSA-N -1 1 307.810 3.888 20 30 DHEDMM Cc1csc(C(C#N)=C([O-])c2ccc(Br)cc2)n1 ZINC000041520560 1025408070 /nfs/dbraw/zinc/40/80/70/1025408070.db2.gz ICZMWNJAZIJJRX-NSHDSACASA-N -1 1 321.199 3.704 20 30 DHEDMM O=C1c2ccc(Cl)nc2C/C1=C\c1ccc([O-])c(Cl)c1 ZINC000806577907 1025913197 /nfs/dbraw/zinc/91/31/97/1025913197.db2.gz IIQGUYNNSVHDDT-WEVVVXLNSA-N -1 1 306.148 3.916 20 30 DHEDMM COc1ccccc1/C=C/C=C\C(=O)c1ccc(C(=O)[O-])cc1O ZINC000806558904 1025921418 /nfs/dbraw/zinc/92/14/18/1025921418.db2.gz OWZCJVTZZNHENA-XATRDHJGSA-N -1 1 324.332 3.551 20 30 DHEDMM CSc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1Cl ZINC000614300781 1026057339 /nfs/dbraw/zinc/05/73/39/1026057339.db2.gz SBHCJRZVFAQZJW-UHFFFAOYSA-N -1 1 318.785 3.891 20 30 DHEDMM CC[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1cccc(Cl)c1 ZINC000614361705 1026253828 /nfs/dbraw/zinc/25/38/28/1026253828.db2.gz VSRFZYFNUOOAQC-MRXNPFEDSA-N -1 1 314.772 3.798 20 30 DHEDMM Cc1cccc([C@@H]2CCCN2C(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000614364186 1026255370 /nfs/dbraw/zinc/25/53/70/1026255370.db2.gz RNFMSNPQQCMRSW-SFHVURJKSA-N -1 1 306.365 3.550 20 30 DHEDMM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2cc([O-])cc(C#N)c2)o1 ZINC000614370607 1026264906 /nfs/dbraw/zinc/26/49/06/1026264906.db2.gz UWQSKVUKVUVHBG-SJCJKPOMSA-N -1 1 324.380 3.779 20 30 DHEDMM CN(C(=O)c1cc2ccccc2cc1[O-])c1cccc(C#N)c1 ZINC000120575110 1026325436 /nfs/dbraw/zinc/32/54/36/1026325436.db2.gz OYXWISOVJMQFJW-UHFFFAOYSA-N -1 1 302.333 3.694 20 30 DHEDMM O=C(/C=C\c1ccc([O-])c(F)c1)c1ccc(Br)nc1 ZINC000811695872 1027070036 /nfs/dbraw/zinc/07/00/36/1027070036.db2.gz FTBRCQRNOMWGTF-RJRFIUFISA-N -1 1 322.133 3.585 20 30 DHEDMM CC(C)(C)Oc1ccccc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000577181151 1027070961 /nfs/dbraw/zinc/07/09/61/1027070961.db2.gz NLYXPPOTMPTCIW-UHFFFAOYSA-N -1 1 324.446 3.545 20 30 DHEDMM O=C(/C=C/c1cnc(-c2ccccn2)s1)c1cc(O)ccc1[O-] ZINC000156654403 1027141436 /nfs/dbraw/zinc/14/14/36/1027141436.db2.gz LOJJZCXHEATASF-FNORWQNLSA-N -1 1 324.361 3.512 20 30 DHEDMM Cc1nc(SCCc2ccc(C#N)cc2)[n-]c(=O)c1C1CC1 ZINC000601086769 1027979327 /nfs/dbraw/zinc/97/93/27/1027979327.db2.gz CJORKVAKVQJXIS-UHFFFAOYSA-N -1 1 311.410 3.575 20 30 DHEDMM CC(=NNc1ccc2ccccc2n1)c1cc(C(=O)[O-])cs1 ZINC000814697470 1028163110 /nfs/dbraw/zinc/16/31/10/1028163110.db2.gz PSCJHYTXCAAANO-UHFFFAOYSA-N -1 1 311.366 3.831 20 30 DHEDMM CCc1cc(C#N)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC001256790780 1029972564 /nfs/dbraw/zinc/97/25/64/1029972564.db2.gz WXROZSPWJWHNAC-UHFFFAOYSA-N -1 1 320.801 3.575 20 30 DHEDMM CCCNC(=O)c1cccc(N[C@@H](C)c2cccc(C#N)c2[O-])c1 ZINC000866328153 1030232954 /nfs/dbraw/zinc/23/29/54/1030232954.db2.gz NJEHDIHQVWWUBJ-ZDUSSCGKSA-N -1 1 323.396 3.577 20 30 DHEDMM Cc1ccccc1-n1nccc1/C=C1\Oc2cc([O-])ccc2C1=O ZINC000794936644 1030411776 /nfs/dbraw/zinc/41/17/76/1030411776.db2.gz CSQWHHVJXRYEIS-ZDLGFXPLSA-N -1 1 318.332 3.503 20 30 DHEDMM O=C1c2cc(O)ccc2CC/C1=C/c1ccc([O-])c(Cl)c1 ZINC000794960445 1030453116 /nfs/dbraw/zinc/45/31/16/1030453116.db2.gz RXGMJQSCDDIOHM-GHXNOFRVSA-N -1 1 300.741 3.964 20 30 DHEDMM CC(C)c1csc(C(C#N)=C([O-])c2c3ccccc3nn2C)n1 ZINC000358433240 1030486206 /nfs/dbraw/zinc/48/62/06/1030486206.db2.gz UAUNZZXGQOUKJY-GFCCVEGCSA-N -1 1 324.409 3.643 20 30 DHEDMM Cc1ccc([O-])c(C(=O)/C=C/c2c(Cl)nc3ccccn32)c1 ZINC000757467721 1031109512 /nfs/dbraw/zinc/10/95/12/1031109512.db2.gz ISAXLUUOQVFOQB-SOFGYWHQSA-N -1 1 312.756 3.898 20 30 DHEDMM CCc1cccc(C)c1NN=C1CCCc2c(C#N)c(=O)[n-]cc21 ZINC000844595285 1031243944 /nfs/dbraw/zinc/24/39/44/1031243944.db2.gz YHTLZLOOJIERHO-UHFFFAOYSA-N -1 1 320.396 3.682 20 30 DHEDMM N#CC(C(=O)c1sccc1Br)=C([O-])C1=CCCC1 ZINC000845845777 1031728206 /nfs/dbraw/zinc/72/82/06/1031728206.db2.gz RPTGLJUBENLIQL-VIFPVBQESA-N -1 1 324.199 3.512 20 30 DHEDMM Cc1ccc(N(CC2CC2)C(=O)c2cc([O-])cc(C#N)c2)cc1F ZINC000863601236 1034140238 /nfs/dbraw/zinc/14/02/38/1034140238.db2.gz UAWCQRUUXMFNAK-UHFFFAOYSA-N -1 1 324.355 3.768 20 30 DHEDMM C#CCCc1cc(=O)n(-c2ccc(Cl)c(C(F)(F)F)c2)[n-]1 ZINC000899353228 1034590223 /nfs/dbraw/zinc/59/02/23/1034590223.db2.gz WPQFZKYKHBWBBE-UHFFFAOYSA-N -1 1 314.694 3.865 20 30 DHEDMM COc1ccc2ccc(C(=O)Nc3ccc(C#N)cc3[O-])cc2c1 ZINC001174823262 1034621968 /nfs/dbraw/zinc/62/19/68/1034621968.db2.gz HUZMFEDXNJITAM-UHFFFAOYSA-N -1 1 318.332 3.678 20 30 DHEDMM N#Cc1ncc(Nc2c(F)ccc([O-])c2F)cc1C(F)(F)F ZINC001175264060 1034912095 /nfs/dbraw/zinc/91/20/95/1034912095.db2.gz RGSYOCZAIWECTH-UHFFFAOYSA-N -1 1 315.201 3.699 20 30 DHEDMM N#Cc1ccc(NCc2cccc(Br)c2[O-])cc1 ZINC000042411690 1035118905 /nfs/dbraw/zinc/11/89/05/1035118905.db2.gz AZRZJHWLPLHMBM-UHFFFAOYSA-N -1 1 303.159 3.638 20 30 DHEDMM CCOc1nc(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)co1 ZINC000904052101 1035354778 /nfs/dbraw/zinc/35/47/78/1035354778.db2.gz DSXQGMCEGPWMNS-UHFFFAOYSA-N -1 1 319.386 3.556 20 30 DHEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)C1CCC(C(C)(C)C)CC1 ZINC000442739053 1035575768 /nfs/dbraw/zinc/57/57/68/1035575768.db2.gz PHQHWWOQTASOHM-UHFFFAOYSA-N -1 1 314.429 3.941 20 30 DHEDMM Cc1cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)ccc1C#N ZINC001195158972 1036164639 /nfs/dbraw/zinc/16/46/39/1036164639.db2.gz JAHQYRGZSHHUIJ-UHFFFAOYSA-N -1 1 314.410 3.791 20 30 DHEDMM Cc1cc(F)ccc1NC(=S)Nc1scc([O-])c1C#N ZINC001196089423 1036435151 /nfs/dbraw/zinc/43/51/51/1036435151.db2.gz BRHQYYWXWKBTPM-UHFFFAOYSA-N -1 1 307.375 3.582 20 30 DHEDMM COc1ccc([C@H](C(=O)Nc2ccc(C#N)cc2[O-])C(C)C)cc1 ZINC001182993299 1036495728 /nfs/dbraw/zinc/49/57/28/1036495728.db2.gz LCQADXQYTAHERP-GOSISDBHSA-N -1 1 324.380 3.651 20 30 DHEDMM C=CC[C@@H]([N-]C(=O)C(F)(F)OCC(F)(F)F)c1ccccc1 ZINC001183198198 1036539313 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CC(N=Nc1ccc(C(=O)[O-])cc1)c1cccc(OC(F)F)c1 ZINC000916240388 1037715162 /nfs/dbraw/zinc/71/51/62/1037715162.db2.gz AVWPRIHPPJXDOX-UHFFFAOYSA-N -1 1 320.295 3.822 20 30 DHEDMM CCCCCCCCS(=O)(=O)Nc1cc(F)c([O-])cc1F ZINC001188017872 1037789619 /nfs/dbraw/zinc/78/96/19/1037789619.db2.gz ILELTGLVKHNQFJ-UHFFFAOYSA-N -1 1 321.389 3.773 20 30 DHEDMM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1ccoc1 ZINC000130468521 1037967066 /nfs/dbraw/zinc/96/70/66/1037967066.db2.gz FTBZJJWIFGXLEA-GFCCVEGCSA-N -1 1 323.135 3.548 20 30 DHEDMM C/C=C/c1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000588853599 1038386510 /nfs/dbraw/zinc/38/65/10/1038386510.db2.gz WYZOSPWQWCRMOE-GORDUTHDSA-N -1 1 312.394 3.587 20 30 DHEDMM CC(C)C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1cccs1 ZINC000589169808 1038437322 /nfs/dbraw/zinc/43/73/22/1038437322.db2.gz IKTYUNJDNUEFDH-OAHLLOKOSA-N -1 1 314.410 3.843 20 30 DHEDMM CC[C@@H](C)Oc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000589170028 1038437779 /nfs/dbraw/zinc/43/77/79/1038437779.db2.gz DWBIBMMSARXMNL-GFCCVEGCSA-N -1 1 310.353 3.693 20 30 DHEDMM CC[C@@H](C)Oc1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000589170901 1038438148 /nfs/dbraw/zinc/43/81/48/1038438148.db2.gz LFHOHBBNRROULG-GFCCVEGCSA-N -1 1 310.353 3.693 20 30 DHEDMM CCOc1ccccc1[C@H](CC)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589175191 1038439322 /nfs/dbraw/zinc/43/93/22/1038439322.db2.gz FZNIEABTWGJCNK-KRWDZBQOSA-N -1 1 324.380 3.544 20 30 DHEDMM CCC[C@H](CCc1ccccc1)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589183635 1038444532 /nfs/dbraw/zinc/44/45/32/1038444532.db2.gz ZSQIVDHJIYGTOS-GOSISDBHSA-N -1 1 322.408 3.795 20 30 DHEDMM Cc1cc(NC(=O)c2cc([O-])cc(C#N)c2)ccc1OC(C)C ZINC000589184494 1038444724 /nfs/dbraw/zinc/44/47/24/1038444724.db2.gz UGAVQDBQLQUVOP-UHFFFAOYSA-N -1 1 310.353 3.612 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H]2CCC2CCCC2)c1 ZINC000589190211 1038447125 /nfs/dbraw/zinc/44/71/25/1038447125.db2.gz HYJLZONSKXTBKY-KRWDZBQOSA-N -1 1 312.413 3.839 20 30 DHEDMM C[C@H](C#N)c1ccc(NC(=O)c2cc([O-])cc(F)c2F)cc1 ZINC001192665567 1038693313 /nfs/dbraw/zinc/69/33/13/1038693313.db2.gz OCNMMFGNYFNTGR-SECBINFHSA-N -1 1 302.280 3.550 20 30 DHEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000590917076 1038726351 /nfs/dbraw/zinc/72/63/51/1038726351.db2.gz DBGOKLSTWCQVDM-RBUKOAKNSA-N -1 1 320.392 3.672 20 30 DHEDMM CCOc1cc(-c2noc(CCCCC#N)n2)cc(Cl)c1[O-] ZINC000594544408 1039809792 /nfs/dbraw/zinc/80/97/92/1039809792.db2.gz KQKXFPZABWJQDH-UHFFFAOYSA-N -1 1 321.764 3.731 20 30 DHEDMM CCc1sc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cc1C ZINC000046706340 1039936017 /nfs/dbraw/zinc/93/60/17/1039936017.db2.gz UVURVWYSGFSXRW-LLVKDONJSA-N -1 1 309.394 3.985 20 30 DHEDMM CC(N=Nc1ccc(C(=O)[O-])cc1)c1nc2c(s1)CCCC2 ZINC000761249813 1041012798 /nfs/dbraw/zinc/01/27/98/1041012798.db2.gz NXPNSMGUXIEAAD-UHFFFAOYSA-N -1 1 315.398 3.556 20 30 DHEDMM N#Cc1ccc(C(=O)N2CC3(CCCC3)[C@@H]2c2ccco2)cc1[O-] ZINC000598038936 1041026597 /nfs/dbraw/zinc/02/65/97/1041026597.db2.gz HMDSJUJWSOIEMP-KRWDZBQOSA-N -1 1 322.364 3.614 20 30 DHEDMM N#CCc1ccccc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000559251678 332005665 /nfs/dbraw/zinc/00/56/65/332005665.db2.gz PRUZOYKGSVNWOA-UHFFFAOYSA-N -1 1 302.333 3.864 20 30 DHEDMM CC(C)(C)CN(CCC#N)C(=O)c1cc2ccccc2cc1[O-] ZINC000118227212 332351321 /nfs/dbraw/zinc/35/13/21/332351321.db2.gz QHJXWXKYSUKSFZ-UHFFFAOYSA-N -1 1 310.397 3.947 20 30 DHEDMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c1 ZINC000460837000 333147992 /nfs/dbraw/zinc/14/79/92/333147992.db2.gz DRUJKXMDBITKSX-UHFFFAOYSA-N -1 1 318.373 3.622 20 30 DHEDMM C=CCCCN(C)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000338390380 333486570 /nfs/dbraw/zinc/48/65/70/333486570.db2.gz QSXMRODARONBLE-UHFFFAOYSA-N -1 1 304.777 3.632 20 30 DHEDMM N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1cccc(C(=O)[O-])c1 ZINC000414634308 334048786 /nfs/dbraw/zinc/04/87/86/334048786.db2.gz BKXJDNJVLBYSKY-RTBURBONSA-N -1 1 320.392 3.657 20 30 DHEDMM Cc1c(=O)[n-]c(S[C@@H]2CC[C@@H](C#N)C2)nc1-c1ccccc1 ZINC000278667455 334099474 /nfs/dbraw/zinc/09/94/74/334099474.db2.gz XPODNSDIIPEATG-TZMCWYRMSA-N -1 1 311.410 3.942 20 30 DHEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000443422572 338451354 /nfs/dbraw/zinc/45/13/54/338451354.db2.gz LMSVCSRTZOQNOU-UHFFFAOYSA-N -1 1 305.374 3.745 20 30 DHEDMM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188580649 334863704 /nfs/dbraw/zinc/86/37/04/334863704.db2.gz LCZRXGZQVAPXEJ-YVEFUNNKSA-N -1 1 324.355 3.626 20 30 DHEDMM CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188738628 334872963 /nfs/dbraw/zinc/87/29/63/334872963.db2.gz LFJXOOHWFMHHPJ-SFHVURJKSA-N -1 1 322.408 3.747 20 30 DHEDMM COc1cccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1 ZINC000177756533 337157221 /nfs/dbraw/zinc/15/72/21/337157221.db2.gz MVPGHBZBKGGZMJ-ZDUSSCGKSA-N -1 1 300.383 3.765 20 30 DHEDMM CC(=Cc1cc(Cl)ccc1Cl)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435335876 338237224 /nfs/dbraw/zinc/23/72/24/338237224.db2.gz LHHASQBHCMDQLN-YVMONPNESA-N -1 1 320.179 3.817 20 30 DHEDMM CNc1ccc(C#N)cc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000437005134 338297443 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CCCc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821139334 606388680 /nfs/dbraw/zinc/38/86/80/606388680.db2.gz UGPRDKJZNYBIPJ-CSKARUKUSA-N -1 1 324.409 3.777 20 30 DHEDMM Cc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c(C)n1C ZINC000353885338 1013436464 /nfs/dbraw/zinc/43/64/64/1013436464.db2.gz CCQIMDMZZHNSNX-ZDUSSCGKSA-N -1 1 301.415 3.712 20 30 DHEDMM CCCCCCCCc1nnc([N-]C(=O)c2cc(C)on2)s1 ZINC000894714196 1013462370 /nfs/dbraw/zinc/46/23/70/1013462370.db2.gz FPUSNMYUNIMFAQ-UHFFFAOYSA-N -1 1 322.434 3.990 20 30 DHEDMM CC[C@@H](CC#N)N=c1nc(-c2cc(Cl)cc(Cl)c2)[n-]o1 ZINC000579994640 1013850324 /nfs/dbraw/zinc/85/03/24/1013850324.db2.gz DVIBFBFUYWWRKT-NSHDSACASA-N -1 1 311.172 3.569 20 30 DHEDMM COc1ccc2oc(/C=C/C(=O)c3cc(O)ccc3[O-])cc2c1 ZINC000160540221 1014199746 /nfs/dbraw/zinc/19/97/46/1014199746.db2.gz KZQCJXIBEATTPW-ZZXKWVIFSA-N -1 1 310.305 3.749 20 30 DHEDMM CSCC(N=Nc1ccccc1C(=O)[O-])c1ccccc1 ZINC000749443881 1014436559 /nfs/dbraw/zinc/43/65/59/1014436559.db2.gz KKIIHIACKRJNHJ-UHFFFAOYSA-N -1 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DHEDMM O=C([O-])c1ccccc1N=NC1CCCOc2ccc(F)cc21 ZINC000863967589 1034231236 /nfs/dbraw/zinc/23/12/36/1034231236.db2.gz OLDUXTIMTJRTIU-UHFFFAOYSA-N -1 1 314.316 3.513 20 30 DHEDMM CC(C)Oc1cc([N-]c2onc(C(C)(C)C)c2C#N)c(F)cn1 ZINC001176482785 1035277176 /nfs/dbraw/zinc/27/71/76/1035277176.db2.gz WBAKQNNSTSMCSM-UHFFFAOYSA-N -1 1 318.352 3.909 20 30 DHEDMM C[C@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)c(-c2ccccc2)c1 ZINC001193161587 1035579925 /nfs/dbraw/zinc/57/99/25/1035579925.db2.gz RXXPGCRRQHRVBC-LLVKDONJSA-N -1 1 320.801 3.661 20 30 DHEDMM Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(C#N)c([O-])c2)s1 ZINC000442959491 1035734306 /nfs/dbraw/zinc/73/43/06/1035734306.db2.gz AEYYHRCAUPTZIG-AWEZNQCLSA-N -1 1 312.394 3.611 20 30 DHEDMM Cc1ccc([C@@H]2CCCN2C(=O)c2ccc(C#N)c([O-])c2)cc1C ZINC000443348079 1036093942 /nfs/dbraw/zinc/09/39/42/1036093942.db2.gz QFJGMTPPKZVUGS-SFHVURJKSA-N -1 1 320.392 3.858 20 30 DHEDMM Cc1cc(C#N)ccc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC001195107846 1036135970 /nfs/dbraw/zinc/13/59/70/1036135970.db2.gz KABJTJOHRLLMQO-UHFFFAOYSA-N -1 1 314.410 3.791 20 30 DHEDMM COC(=O)c1ccc(C(=O)/C=C/c2ccc([O-])c(Cl)c2)cc1 ZINC000130158238 1036400176 /nfs/dbraw/zinc/40/01/76/1036400176.db2.gz QHZFTMFDFMEFMW-KRXBUXKQSA-N -1 1 316.740 3.728 20 30 DHEDMM N=C(c1ccccc1N)N([O-])C(=O)CCCC1CCCCC1 ZINC001184225162 1036779102 /nfs/dbraw/zinc/77/91/02/1036779102.db2.gz ZHHOYOMKIDDZNX-UHFFFAOYSA-N -1 1 303.406 3.563 20 30 DHEDMM CO[C@@H](C(=O)N([O-])Cc1ccccc1Cl)C1CCCCC1 ZINC001184293368 1036807240 /nfs/dbraw/zinc/80/72/40/1036807240.db2.gz QCICRKSTHFUKLZ-OAHLLOKOSA-N -1 1 311.809 3.653 20 30 DHEDMM CCc1cc(NC(=O)c2ccc([O-])cc2F)cc(CC)c1C#N ZINC001186329972 1037376393 /nfs/dbraw/zinc/37/63/93/1037376393.db2.gz YQDUABWMLYYNIY-UHFFFAOYSA-N -1 1 312.344 3.780 20 30 DHEDMM CCCc1cccc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)c1 ZINC001201323525 1037609015 /nfs/dbraw/zinc/60/90/15/1037609015.db2.gz HRBOYAQZYUAGGF-UHFFFAOYSA-N -1 1 314.410 3.620 20 30 DHEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1ccc(C)c([N+](=O)[O-])c1)O2 ZINC000915988864 1037639855 /nfs/dbraw/zinc/63/98/55/1037639855.db2.gz LPSBMCOJULKYOL-VIZOYTHASA-N -1 1 311.293 3.533 20 30 DHEDMM C[C@@H](C#N)Oc1ccccc1NCc1cc(F)cc(F)c1[O-] ZINC001201618216 1037814391 /nfs/dbraw/zinc/81/43/91/1037814391.db2.gz NLJDLLFGXVVIHM-JTQLQIEISA-N -1 1 304.296 3.573 20 30 DHEDMM N#Cc1cccc([O-])c1NC(=O)Nc1cccc(Cl)c1F ZINC001188410449 1037903213 /nfs/dbraw/zinc/90/32/13/1037903213.db2.gz JKHAZHCJLAPSCA-UHFFFAOYSA-N -1 1 305.696 3.700 20 30 DHEDMM CCCCCCCCCCS(=O)(=O)[N-]c1ncncc1C ZINC001201833835 1037914114 /nfs/dbraw/zinc/91/41/14/1037914114.db2.gz DYDPADCLJSSUOV-UHFFFAOYSA-N -1 1 313.467 3.667 20 30 DHEDMM N#Cc1cccc([O-])c1NC(=O)Nc1ccccc1C(F)(F)F ZINC001202166074 1038079581 /nfs/dbraw/zinc/07/95/81/1038079581.db2.gz LGJWQJZYOSKJMR-UHFFFAOYSA-N -1 1 321.258 3.927 20 30 DHEDMM CCOc1cc(F)c(C(=O)[N-]c2ccsc2C#N)c(F)c1 ZINC001190585598 1038351885 /nfs/dbraw/zinc/35/18/85/1038351885.db2.gz FFVGURVYHXIBAT-UHFFFAOYSA-N -1 1 308.309 3.549 20 30 DHEDMM Cc1ccc(C)c2sc(NC(=O)c3cc([O-])cc(C#N)c3)nc21 ZINC000589178003 1038439430 /nfs/dbraw/zinc/43/94/30/1038439430.db2.gz OWBFHXPDTACGJG-UHFFFAOYSA-N -1 1 323.377 3.743 20 30 DHEDMM Cc1ccccc1C1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000589179834 1038439697 /nfs/dbraw/zinc/43/96/97/1038439697.db2.gz QRYRROSFZGJPBW-UHFFFAOYSA-N -1 1 320.392 3.592 20 30 DHEDMM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589187158 1038445062 /nfs/dbraw/zinc/44/50/62/1038445062.db2.gz NKQJCXPAVQTVLB-GOSISDBHSA-N -1 1 322.408 3.666 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)N2CCCC[C@H]2Cc2ccccc2)c1 ZINC000589188143 1038445455 /nfs/dbraw/zinc/44/54/55/1038445455.db2.gz YLHNWCDTVJFCNY-SFHVURJKSA-N -1 1 320.392 3.501 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(CC(F)(F)F)cc2)c1 ZINC000589184032 1038445757 /nfs/dbraw/zinc/44/57/57/1038445757.db2.gz XHLJMZHLAKDDDR-UHFFFAOYSA-N -1 1 320.270 3.621 20 30 DHEDMM Cc1cc([C@H](NC(=O)c2cc([O-])cc(C#N)c2)C2CC2)ccc1F ZINC000589196721 1038446640 /nfs/dbraw/zinc/44/66/40/1038446640.db2.gz VHOSIPFGLOZOCK-GOSISDBHSA-N -1 1 324.355 3.593 20 30 DHEDMM CC1(C)CN(C(=O)c2cc([O-])cc(C#N)c2)[C@@H]1c1cccs1 ZINC000589527229 1038499527 /nfs/dbraw/zinc/49/95/27/1038499527.db2.gz NVWZOWOMOJUYOL-OAHLLOKOSA-N -1 1 312.394 3.549 20 30 DHEDMM O=C(/C=C/c1ccc([O-])c(Br)c1)c1cccc(O)c1 ZINC000057457774 1038637579 /nfs/dbraw/zinc/63/75/79/1038637579.db2.gz KQGVCFBALHPDRU-GQCTYLIASA-N -1 1 319.154 3.756 20 30 DHEDMM C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC001192460881 1038664262 /nfs/dbraw/zinc/66/42/62/1038664262.db2.gz WGDUBRDYJWDHQP-DZGCQCFKSA-N -1 1 319.426 3.846 20 30 DHEDMM N#CC(=C([O-])c1ccc2c(c1)OCO2)c1nc2ccccc2s1 ZINC000046441563 1039635362 /nfs/dbraw/zinc/63/53/62/1039635362.db2.gz DLVJYKNTNDUUDN-NSHDSACASA-N -1 1 322.345 3.515 20 30 DHEDMM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188464192 200250903 /nfs/dbraw/zinc/25/09/03/200250903.db2.gz WJLVFHISCYAMBP-YOEHRIQHSA-N -1 1 320.392 3.591 20 30 DHEDMM CCc1ccc([C@H]2CCCCN2C(=O)c2ccc(C#N)c([O-])c2)o1 ZINC000188529292 200261901 /nfs/dbraw/zinc/26/19/01/200261901.db2.gz KWQMHDXPZVEXEV-MRXNPFEDSA-N -1 1 324.380 3.787 20 30 DHEDMM CCCN(CC1CCCCC1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442937406 338439917 /nfs/dbraw/zinc/43/99/17/338439917.db2.gz CELHPIMTQXGILP-UHFFFAOYSA-N -1 1 300.402 3.696 20 30 DHEDMM Cc1c(C#N)cccc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000570610869 332780335 /nfs/dbraw/zinc/78/03/35/332780335.db2.gz CJJZUWNVDRMUIM-UHFFFAOYSA-N -1 1 302.333 3.978 20 30 DHEDMM C=CCCC[C@@H](C)NC(=O)c1ccc(Br)c([O-])c1 ZINC000182644197 333044189 /nfs/dbraw/zinc/04/41/89/333044189.db2.gz DJGSUNDDSQXYCT-SNVBAGLBSA-N -1 1 312.207 3.629 20 30 DHEDMM Cc1c(C(=O)/C=C/c2ccc([O-])c(F)c2)cnn1C(C)(C)C ZINC000188876329 333252605 /nfs/dbraw/zinc/25/26/05/333252605.db2.gz PWEPRLVWWVYWSF-FNORWQNLSA-N -1 1 302.349 3.687 20 30 DHEDMM CC(C)(C)c1csc([N-]C(=O)c2ncc(F)cc2F)c1C#N ZINC000410932023 333609785 /nfs/dbraw/zinc/60/97/85/333609785.db2.gz SHMBPMUGZMJFKA-UHFFFAOYSA-N -1 1 321.352 3.843 20 30 DHEDMM N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(C(=O)[O-])cc1 ZINC000414638457 334049853 /nfs/dbraw/zinc/04/98/53/334049853.db2.gz OAKUDDCOJNKPPH-RTBURBONSA-N -1 1 320.392 3.657 20 30 DHEDMM COc1cccc(/C=N/c2ccc([O-])c(COC(C)C)c2)c1O ZINC000290600717 334173548 /nfs/dbraw/zinc/17/35/48/334173548.db2.gz ROZZSHOJIHDUGH-VXLYETTFSA-N -1 1 315.369 3.782 20 30 DHEDMM CCC(=O)c1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cc1 ZINC000340940069 334395281 /nfs/dbraw/zinc/39/52/81/334395281.db2.gz BRJZSOZIPSMJHO-AWEZNQCLSA-N -1 1 317.348 3.646 20 30 DHEDMM N#Cc1ccc(C(=O)N2CCCC3(C2)CCCCCC3)cc1[O-] ZINC000443296959 338448509 /nfs/dbraw/zinc/44/85/09/338448509.db2.gz QVQZKCOJOIBGCO-UHFFFAOYSA-N -1 1 312.413 3.840 20 30 DHEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(C2CC2)cc1 ZINC000416292617 334661370 /nfs/dbraw/zinc/66/13/70/334661370.db2.gz RQOAAXAIWBGGEB-GFCCVEGCSA-N -1 1 306.365 3.632 20 30 DHEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(Cl)c(C)c3)nc1-2 ZINC000346180244 335378262 /nfs/dbraw/zinc/37/82/62/335378262.db2.gz GEPZJPSMEJWGOK-LBPRGKRZSA-N -1 1 324.771 3.718 20 30 DHEDMM Cc1ccc(CN(C(=O)c2ccc(C#N)c([O-])c2)C(C)C)s1 ZINC000190999080 335402246 /nfs/dbraw/zinc/40/22/46/335402246.db2.gz UIWFFTBEZJJPFY-UHFFFAOYSA-N -1 1 314.410 3.685 20 30 DHEDMM Cc1cc(C(=O)[N-]c2sc3c(c2C#N)C[C@H](C)C[C@H]3C)on1 ZINC000331760652 336147820 /nfs/dbraw/zinc/14/78/20/336147820.db2.gz KFMIYGCHULHZCS-RKDXNWHRSA-N -1 1 315.398 3.854 20 30 DHEDMM N#CC1CCC(CNC(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000332492586 336173133 /nfs/dbraw/zinc/17/31/33/336173133.db2.gz PCAQZEDEELZVEC-UHFFFAOYSA-N -1 1 308.381 3.605 20 30 DHEDMM N#C[C@H](NC(=O)c1ccc2ccccc2c1[O-])C1CCCCC1 ZINC000321124036 337199963 /nfs/dbraw/zinc/19/99/63/337199963.db2.gz DLBCZJLMUUEYLW-KRWDZBQOSA-N -1 1 308.381 3.748 20 30 DHEDMM N#CC(=C([O-])c1ccnc2ccccc21)c1cnc2ccccc2n1 ZINC000190913820 337291266 /nfs/dbraw/zinc/29/12/66/337291266.db2.gz DZOYLWPGLFVUJC-OAHLLOKOSA-N -1 1 324.343 3.668 20 30 DHEDMM N#Cc1ccc(C(=O)NCc2c(Cl)cccc2Cl)cc1[O-] ZINC000527198242 337737612 /nfs/dbraw/zinc/73/76/12/337737612.db2.gz IAYZSCSDAMZHDZ-UHFFFAOYSA-N -1 1 321.163 3.501 20 30 DHEDMM Cc1cc(C#N)ccc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445449045 337858880 /nfs/dbraw/zinc/85/88/80/337858880.db2.gz SWCDWMXKMSVAMN-UHFFFAOYSA-N -1 1 311.728 3.943 20 30 DHEDMM N#Cc1ccc(CSc2nc(C3CC3)cc(=O)[n-]2)c(Cl)c1 ZINC000436246299 338263341 /nfs/dbraw/zinc/26/33/41/338263341.db2.gz PUDWZGUXSDDCHM-UHFFFAOYSA-N -1 1 317.801 3.877 20 30 DHEDMM N#C[C@H](NC(=O)c1cc2ccccc2cc1[O-])c1ccccc1F ZINC000436616699 338280194 /nfs/dbraw/zinc/28/01/94/338280194.db2.gz KUMVIXSLOHVYIQ-KRWDZBQOSA-N -1 1 320.323 3.679 20 30 DHEDMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])c1ccc(C#N)cc1 ZINC000436713758 338283772 /nfs/dbraw/zinc/28/37/72/338283772.db2.gz DAVOIUYQKDPUFT-CYBMUJFWSA-N -1 1 316.360 3.908 20 30 DHEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000458035196 338986637 /nfs/dbraw/zinc/98/66/37/338986637.db2.gz XWBAHKYJNYVLBW-MSOLQXFVSA-N -1 1 320.392 3.672 20 30 DHEDMM C=CCCCC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000472693393 339376264 /nfs/dbraw/zinc/37/62/64/339376264.db2.gz OBCBEWVLBUSZMM-UHFFFAOYSA-N -1 1 314.259 3.690 20 30 DHEDMM CC[C@H]1C[C@]1(NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(C)c1 ZINC000506177912 340187730 /nfs/dbraw/zinc/18/77/30/340187730.db2.gz SJVYCAGZGQJVPH-OXJNMPFZSA-N -1 1 320.392 3.628 20 30 DHEDMM C#CCN(Cc1ccc(C(=O)[O-])c(F)c1)[C@H]1CCc2ccccc21 ZINC000825614661 601619695 /nfs/dbraw/zinc/61/96/95/601619695.db2.gz TYWWNJIOJCOELQ-IBGZPJMESA-N -1 1 323.367 3.647 20 30 DHEDMM C[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)c1cccc(C#N)c1 ZINC000558462497 1014742742 /nfs/dbraw/zinc/74/27/42/1014742742.db2.gz FRIHIXFFMSGJBH-MRVPVSSYSA-N -1 1 307.325 3.845 20 30 DHEDMM CC[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(Cl)c1 ZINC000442861089 1014749115 /nfs/dbraw/zinc/74/91/15/1014749115.db2.gz ZPSLDBSBVOABBM-OAHLLOKOSA-N -1 1 314.772 3.798 20 30 DHEDMM CC(=O)Nc1ccc(C(=O)/C=C\c2ccc([O-])c(Cl)c2)cc1 ZINC000588419351 1015080996 /nfs/dbraw/zinc/08/09/96/1015080996.db2.gz GDIJSCNRXYQBHU-WAPJZHGLSA-N -1 1 315.756 3.900 20 30 DHEDMM O=C(/C=C\c1ccc([N+](=O)[O-])cc1Cl)c1cc(O)ccc1[O-] ZINC000588425641 1015234892 /nfs/dbraw/zinc/23/48/92/1015234892.db2.gz MMPIYMQOLIOSGK-DJWKRKHSSA-N -1 1 319.700 3.556 20 30 DHEDMM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1ccc(C#N)s1 ZINC000349546870 1015504515 /nfs/dbraw/zinc/50/45/15/1015504515.db2.gz OQILOEIJYUAHRV-UHFFFAOYSA-N -1 1 309.350 3.836 20 30 DHEDMM CC(C)(CC/N=C\c1cc(Cl)cc(Cl)c1O)C(=O)[O-] ZINC001590671418 990384482 /nfs/dbraw/zinc/38/44/82/990384482.db2.gz ZZMDALIEEAKKJE-APSNUPSMSA-N -1 1 304.173 3.619 20 30 DHEDMM C[C@@H]1C[C@@H](c2ccccc2)N(Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC001594270570 999045850 /nfs/dbraw/zinc/04/58/50/999045850.db2.gz WOWLUKTXCVWLCC-KUHUBIRLSA-N -1 1 320.392 3.840 20 30 DHEDMM CC(C)c1cc(C(=O)[N-]c2sc3c(c2C#N)CCCC3)on1 ZINC000072644512 1016756506 /nfs/dbraw/zinc/75/65/06/1016756506.db2.gz BLPFELIXUCFNAU-UHFFFAOYSA-N -1 1 315.398 3.862 20 30 DHEDMM O=C1c2ccc([O-])cc2C/C1=C/c1c(Cl)nc2ccccn12 ZINC000588535137 1017055613 /nfs/dbraw/zinc/05/56/13/1017055613.db2.gz ONLGDLGZAJZVRY-LUAWRHEFSA-N -1 1 310.740 3.516 20 30 DHEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1ccn(-c3ccccc3)n1)O2 ZINC000773149563 1032578814 /nfs/dbraw/zinc/57/88/14/1032578814.db2.gz HZUFPTUKWOADRL-YVLHZVERSA-N -1 1 318.332 3.503 20 30 DHEDMM CC(N=Nc1ccccc1C(=O)[O-])c1ccc2ccccc2n1 ZINC000749810305 1012229124 /nfs/dbraw/zinc/22/91/24/1012229124.db2.gz PVKXZEZGMQZJAP-UHFFFAOYSA-N -1 1 305.337 3.769 20 30 DHEDMM Cc1nc(S[C@H](C#N)C2CCCCC2)[n-]c(=O)c1C1CC1 ZINC000601088187 1012428293 /nfs/dbraw/zinc/42/82/93/1012428293.db2.gz MICYWDWZFPMUCH-CYBMUJFWSA-N -1 1 303.431 3.933 20 30 DHEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1cc(F)c(F)c(F)c1)O2 ZINC000727975433 1019853562 /nfs/dbraw/zinc/85/35/62/1019853562.db2.gz UBZHAVXNXYPOAJ-WLRTZDKTSA-N -1 1 306.239 3.734 20 30 DHEDMM N#CC(=C([O-])c1ccc(F)c(F)c1)c1nc(C2CC2)cs1 ZINC000647373506 1020222741 /nfs/dbraw/zinc/22/27/41/1020222741.db2.gz JBOMROIHIWBZRM-JTQLQIEISA-N -1 1 304.321 3.789 20 30 DHEDMM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccc(C#N)c([O-])c3)C2)cc1 ZINC000331183881 1020257325 /nfs/dbraw/zinc/25/73/25/1020257325.db2.gz SFOBXJQHAJFYKU-KBXCAEBGSA-N -1 1 320.392 3.591 20 30 DHEDMM Cc1ccc(N=NC(C)c2cc(Cl)c(Cl)cc2[O-])nn1 ZINC000766021493 1020465301 /nfs/dbraw/zinc/46/53/01/1020465301.db2.gz UNDDGEDMZKRKLF-UHFFFAOYSA-N -1 1 311.172 3.634 20 30 DHEDMM Cc1ccc([C@@H]([N-]C(=O)CC(F)(F)C(F)F)C(F)(F)F)o1 ZINC000892590696 1021048941 /nfs/dbraw/zinc/04/89/41/1021048941.db2.gz HYJJLFOFPPMKRP-MRVPVSSYSA-N -1 1 321.192 3.598 20 30 DHEDMM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1csc([N+](=O)[O-])c1 ZINC000917143135 1021200785 /nfs/dbraw/zinc/20/07/85/1021200785.db2.gz HNTWGOLAMSYEOY-YHESJLBYSA-N -1 1 319.313 3.884 20 30 DHEDMM O=C(/C=C/c1ccc([O-])c(Br)c1)c1cncs1 ZINC000776433497 1021375055 /nfs/dbraw/zinc/37/50/55/1021375055.db2.gz FTYCURWLLIWFOM-DUXPYHPUSA-N -1 1 310.172 3.507 20 30 DHEDMM CC(C)Cc1nc(C#N)c(N=NCc2ccc([O-])c(Cl)c2)o1 ZINC000745613479 1021751410 /nfs/dbraw/zinc/75/14/10/1021751410.db2.gz UTVKJUNOSAPXQF-UHFFFAOYSA-N -1 1 318.764 3.550 20 30 DHEDMM CCc1c(C)sc([N-]C(=O)c2cc(C(C)C)no2)c1C#N ZINC000070843543 1021892928 /nfs/dbraw/zinc/89/29/28/1021892928.db2.gz WDSGCRZYBDHYCN-UHFFFAOYSA-N -1 1 303.387 3.854 20 30 DHEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C/c2cc3ccccc3o2)c1 ZINC000008048298 1022007604 /nfs/dbraw/zinc/00/76/04/1022007604.db2.gz VJFCNBUPCXFMCH-SOFGYWHQSA-N -1 1 308.289 3.733 20 30 DHEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(C2CC2)cc1 ZINC000416292618 1022241559 /nfs/dbraw/zinc/24/15/59/1022241559.db2.gz RQOAAXAIWBGGEB-LBPRGKRZSA-N -1 1 306.365 3.632 20 30 DHEDMM N#CCSCCCSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000901620049 1022415147 /nfs/dbraw/zinc/41/51/47/1022415147.db2.gz YGWQVBBIYDOMNJ-UHFFFAOYSA-N -1 1 317.439 3.588 20 30 DHEDMM CC(C)[C@@H]1c2ccccc2CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000615481107 1022486319 /nfs/dbraw/zinc/48/63/19/1022486319.db2.gz MBSBWQWSEQVRIX-LJQANCHMSA-N -1 1 320.392 3.659 20 30 DHEDMM COc1ccc(OC(F)F)c(/C=C/C(=O)c2ccc([O-])cc2)c1 ZINC000112561721 1022515376 /nfs/dbraw/zinc/51/53/76/1022515376.db2.gz ZZZALJLMZVXWAW-XBXARRHUSA-N -1 1 320.291 3.898 20 30 DHEDMM O=C1c2ccc([O-])cc2O/C1=C/c1cc([N+](=O)[O-])ccc1Cl ZINC000071813690 1022600931 /nfs/dbraw/zinc/60/09/31/1022600931.db2.gz AHAHTLZHPFOPRW-MKMNVTDBSA-N -1 1 317.684 3.570 20 30 DHEDMM COc1cc(C(=O)[O-])ccc1NN=Cc1ccc(Cl)cc1C ZINC000767386041 1022708625 /nfs/dbraw/zinc/70/86/25/1022708625.db2.gz AEDOBVKPHNSUEF-UHFFFAOYSA-N -1 1 318.760 3.801 20 30 DHEDMM C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000662085309 1023893047 /nfs/dbraw/zinc/89/30/47/1023893047.db2.gz CZLBVXVJIMXEFR-BETUJISGSA-N -1 1 321.380 3.765 20 30 DHEDMM COc1ncc(C(=O)/C=C/c2ccc([O-])c(Cl)c2)cc1Cl ZINC000789157109 1024009781 /nfs/dbraw/zinc/00/97/81/1024009781.db2.gz JGQLCINSKXCGFJ-DUXPYHPUSA-N -1 1 324.163 3.999 20 30 DHEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1ccc(N(C)C(C)C)nc1)O2 ZINC000790218556 1024246526 /nfs/dbraw/zinc/24/65/26/1024246526.db2.gz RYOMTQNBVJYWIW-LZYBPNLTSA-N -1 1 324.380 3.556 20 30 DHEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C\c2ccsc2Cl)c1 ZINC000790222808 1024256539 /nfs/dbraw/zinc/25/65/39/1024256539.db2.gz WOUZWQWANNHBTG-IWQZZHSRSA-N -1 1 308.742 3.701 20 30 DHEDMM N#Cc1ccc(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)cc1[O-] ZINC000191135580 1024844572 /nfs/dbraw/zinc/84/45/72/1024844572.db2.gz BPWIXPLNAGEJFV-SFHVURJKSA-N -1 1 318.376 3.556 20 30 DHEDMM Cc1ccc(CCCC(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000051266419 1025768303 /nfs/dbraw/zinc/76/83/03/1025768303.db2.gz DNTWXXWBFJYGSP-UHFFFAOYSA-N -1 1 312.295 3.743 20 30 DHEDMM CSc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2O)cc1 ZINC000806559113 1025921440 /nfs/dbraw/zinc/92/14/40/1025921440.db2.gz VAUUAFVMCBQISZ-RUDMXATFSA-N -1 1 314.362 3.708 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(OC3CCCC3)cc2)c1 ZINC000614296517 1026052222 /nfs/dbraw/zinc/05/22/22/1026052222.db2.gz CUFRLYOZQCGQRT-UHFFFAOYSA-N -1 1 322.364 3.838 20 30 DHEDMM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2cc([O-])cc(C#N)c2)o1 ZINC000614370609 1026264052 /nfs/dbraw/zinc/26/40/52/1026264052.db2.gz UWQSKVUKVUVHBG-YVEFUNNKSA-N -1 1 324.380 3.779 20 30 DHEDMM CC(C)c1ccc(C(=O)N2CCc3c2cccc3C#N)c([O-])c1 ZINC000421960594 1027092766 /nfs/dbraw/zinc/09/27/66/1027092766.db2.gz DXFZFRMEIZFTQZ-UHFFFAOYSA-N -1 1 306.365 3.590 20 30 DHEDMM [O-]c1ccc(C=NNc2ccccc2F)cc1Br ZINC000812460861 1027295591 /nfs/dbraw/zinc/29/55/91/1027295591.db2.gz WUMZFZYHELLZHY-UHFFFAOYSA-N -1 1 309.138 3.740 20 30 DHEDMM N#CC(=C([O-])C=Cc1ccccc1)c1cc(C(F)(F)F)ccn1 ZINC000813215955 1027564671 /nfs/dbraw/zinc/56/46/71/1027564671.db2.gz DBDGTWNNUONNIS-LMVHVUTASA-N -1 1 316.282 3.990 20 30 DHEDMM CC(C)Cc1nc(C#N)c(N=NCc2cccc([O-])c2Cl)o1 ZINC000814820448 1028226187 /nfs/dbraw/zinc/22/61/87/1028226187.db2.gz CYMKGVAOHMCOLP-UHFFFAOYSA-N -1 1 318.764 3.550 20 30 DHEDMM C=CCC(F)(F)C(=O)[N-]Cc1ccc(F)cc1C(F)(F)F ZINC000815018054 1028330623 /nfs/dbraw/zinc/33/06/23/1028330623.db2.gz DSTDAVLFNSYCDO-UHFFFAOYSA-N -1 1 311.225 3.672 20 30 DHEDMM C=CCC1(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)CCCC1 ZINC000629380718 1029318997 /nfs/dbraw/zinc/31/89/97/1029318997.db2.gz VTCRGDICHOEBQG-UHFFFAOYSA-N -1 1 311.385 3.653 20 30 DHEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccn(C)c3)n2)cc1 ZINC000357801837 1030198213 /nfs/dbraw/zinc/19/82/13/1030198213.db2.gz KKBSGDAPGJNXSZ-OAHLLOKOSA-N -1 1 321.405 3.947 20 30 DHEDMM COc1cc(C)c(N[C@@H](C)c2cccc(C#N)c2[O-])cc1OC ZINC000866314302 1030221819 /nfs/dbraw/zinc/22/18/19/1030221819.db2.gz DELWYGUKDDGWQV-LBPRGKRZSA-N -1 1 312.369 3.763 20 30 DHEDMM C[C@@H](Nc1ccc(O[C@H]2CCOC2)cc1)c1cccc(C#N)c1[O-] ZINC000866322461 1030230156 /nfs/dbraw/zinc/23/01/56/1030230156.db2.gz VWLPDFKFGWRESF-DYVFJYSZSA-N -1 1 324.380 3.605 20 30 DHEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C\c2ccc(C(F)F)cc2)c1 ZINC000794940937 1030422546 /nfs/dbraw/zinc/42/25/46/1030422546.db2.gz GJTVVIUHXNQKFP-CLTKARDFSA-N -1 1 318.275 3.924 20 30 DHEDMM COc1cc(C)c(C(=O)/C=C/c2ccc([O-])c(F)c2)cc1OC 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DHEDMM N#CCCN(Cc1ccccc1)Cc1cc(F)c(F)cc1[O-] ZINC001142501872 1031737251 /nfs/dbraw/zinc/73/72/51/1031737251.db2.gz DKOHKXCAERGPJS-UHFFFAOYSA-N -1 1 302.324 3.586 20 30 DHEDMM COCc1ccc(C([O-])=C(C#N)c2nc3ccccc3s2)cc1 ZINC000041503496 1033327986 /nfs/dbraw/zinc/32/79/86/1033327986.db2.gz LMSRMMPACHHXAM-CQSZACIVSA-N -1 1 322.389 3.933 20 30 DHEDMM N#Cc1ccc(C2(C(=O)Nc3c([O-])cccc3F)CCCC2)cc1 ZINC000860440593 1033382876 /nfs/dbraw/zinc/38/28/76/1033382876.db2.gz GHTJFAMOUZAOCX-UHFFFAOYSA-N -1 1 324.355 3.853 20 30 DHEDMM Cc1ccoc1C(=O)/C=C/c1ccc([O-])c(Br)c1 ZINC000119037731 1033910484 /nfs/dbraw/zinc/91/04/84/1033910484.db2.gz FVBKWQCXUAWEGJ-HWKANZROSA-N -1 1 307.143 3.952 20 30 DHEDMM O=C(/C=C\c1ccc([O-])c(Br)c1)c1ccnc(F)c1 ZINC000794718866 1034431995 /nfs/dbraw/zinc/43/19/95/1034431995.db2.gz FYBZPFZETPFCPN-IWQZZHSRSA-N -1 1 322.133 3.585 20 30 DHEDMM O=C(/C=C/c1cccc([O-])c1Cl)c1ccnn1C1CCC1 ZINC000899397973 1034635306 /nfs/dbraw/zinc/63/53/06/1034635306.db2.gz YECFXSVPVKOIFB-BQYQJAHWSA-N 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/nfs/dbraw/zinc/84/12/13/1036841213.db2.gz DXEBVBWAXFAOHT-UHFFFAOYSA-N -1 1 322.408 3.987 20 30 DHEDMM Cc1cccc(Cl)c1NC(=O)Nc1ccc([O-])c(C#N)c1 ZINC001184537864 1036865856 /nfs/dbraw/zinc/86/58/56/1036865856.db2.gz WWLJMKYEEOGUAT-UHFFFAOYSA-N -1 1 301.733 3.870 20 30 DHEDMM CC(C)c1ccc(C(=O)Nc2ccc(C#N)cc2[O-])c(Cl)n1 ZINC001199703104 1037308583 /nfs/dbraw/zinc/30/85/83/1037308583.db2.gz LJZNRKGHVFSISQ-UHFFFAOYSA-N -1 1 315.760 3.688 20 30 DHEDMM N#Cc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)ccc1N1CCCC1 ZINC001201224677 1037582196 /nfs/dbraw/zinc/58/21/96/1037582196.db2.gz PSXZHOHIKKBOBH-UHFFFAOYSA-N -1 1 324.340 3.516 20 30 DHEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1cnn(-c3ccccc3)c1)O2 ZINC000915988876 1037640416 /nfs/dbraw/zinc/64/04/16/1037640416.db2.gz MBMQYUREJPGEPB-IUXPMGMMSA-N -1 1 318.332 3.503 20 30 DHEDMM N#Cc1ccc(NC(=O)Nc2ccc(F)c(Cl)c2)c([O-])c1 ZINC001187699767 1037700730 /nfs/dbraw/zinc/70/07/30/1037700730.db2.gz KZTATSYWAKWPOG-UHFFFAOYSA-N -1 1 305.696 3.700 20 30 DHEDMM CCCCCCCCS(=O)(=O)Nc1cc([O-])c(F)c(F)c1 ZINC001188018027 1037790882 /nfs/dbraw/zinc/79/08/82/1037790882.db2.gz QGWZQFKESUPDID-UHFFFAOYSA-N -1 1 321.389 3.773 20 30 DHEDMM N#Cc1ccc(NC(=O)c2ccc(-c3ccccc3)[nH]2)c([O-])c1 ZINC001189021631 1038045691 /nfs/dbraw/zinc/04/56/91/1038045691.db2.gz XHTURCFVRRPKDC-UHFFFAOYSA-N -1 1 303.321 3.511 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)N2CC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000587439219 1038101599 /nfs/dbraw/zinc/10/15/99/1038101599.db2.gz HNAYAFYDQRKTEZ-MRXNPFEDSA-N -1 1 312.756 3.504 20 30 DHEDMM Cc1ccc([O-])c(C(=O)/C=C/c2ccc(O[C@H](C)C#N)cc2)c1 ZINC000156698061 1038196195 /nfs/dbraw/zinc/19/61/95/1038196195.db2.gz ROWZLLWAKZOVIZ-OAUONFCTSA-N -1 1 307.349 3.888 20 30 DHEDMM N#Cc1cc(NC(=O)c2nc(-c3ccccc3)cs2)ccc1[O-] ZINC001191048229 1038436212 /nfs/dbraw/zinc/43/62/12/1038436212.db2.gz RXDYXBUSKIQODO-UHFFFAOYSA-N -1 1 321.361 3.640 20 30 DHEDMM Cc1ccc(Cl)c(NC(=O)Nc2scc([O-])c2C#N)c1 ZINC001191676217 1038528761 /nfs/dbraw/zinc/52/87/61/1038528761.db2.gz 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1022880266 /nfs/dbraw/zinc/88/02/66/1022880266.db2.gz DLAVBRHVFQNUIZ-WEVVVXLNSA-N -1 1 320.291 3.898 20 30 DHEDMM CCC(CC)CN(CCC#N)C(=O)c1c([O-])cccc1Cl ZINC000769778820 1023212962 /nfs/dbraw/zinc/21/29/62/1023212962.db2.gz OMRHBNOWIWZUMB-UHFFFAOYSA-N -1 1 308.809 3.838 20 30 DHEDMM C=CCN1C(=O)c2ccccc2N[C@H]1c1cccc(Cl)c1[O-] ZINC000124685285 1023349713 /nfs/dbraw/zinc/34/97/13/1023349713.db2.gz UIIAQPOQPFKCEE-MRXNPFEDSA-N -1 1 314.772 3.798 20 30 DHEDMM O=C(/C=C/c1cnc(-c2ccco2)s1)c1cc(O)ccc1[O-] ZINC000789143034 1024006194 /nfs/dbraw/zinc/00/61/94/1024006194.db2.gz NQAQNNRTXFGZNI-GQCTYLIASA-N -1 1 313.334 3.710 20 30 DHEDMM CC(C)N(C)c1ccc(/C=C2\CCc3cc([O-])ccc3C2=O)cn1 ZINC000790214619 1024245269 /nfs/dbraw/zinc/24/52/69/1024245269.db2.gz FKUZRKSELIAPGK-MHWRWJLKSA-N -1 1 322.408 3.844 20 30 DHEDMM CC(C)(C)c1cnc(/C=C2\Oc3cc([O-])ccc3C2=O)s1 ZINC000790602436 1024333376 /nfs/dbraw/zinc/33/33/76/1024333376.db2.gz FOOSCYFCJDWNKR-GHXNOFRVSA-N -1 1 301.367 3.762 20 30 DHEDMM O=C(/C=C/c1cc2c(c(Cl)c1)OCO2)c1ccc([O-])cc1 ZINC000008053469 1024474108 /nfs/dbraw/zinc/47/41/08/1024474108.db2.gz AWIWVJRIMCUIJX-LZCJLJQNSA-N -1 1 302.713 3.670 20 30 DHEDMM CCc1ccc([C@H](C)C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000068110786 1024555823 /nfs/dbraw/zinc/55/58/23/1024555823.db2.gz DXASTAAHOZEZNI-QMMMGPOBSA-N -1 1 312.295 3.778 20 30 DHEDMM N#C[C@@]1(C(=O)Nc2cc(F)c([O-])cc2Cl)CC2CCC1CC2 ZINC000885683020 1025382427 /nfs/dbraw/zinc/38/24/27/1025382427.db2.gz YZVFOPDXKWUWRK-HWYSMQLTSA-N -1 1 322.767 3.843 20 30 DHEDMM C=CCCCCCCNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000805218141 1025557567 /nfs/dbraw/zinc/55/75/67/1025557567.db2.gz SSTTTWQBSYLBGB-UHFFFAOYSA-N -1 1 311.809 3.921 20 30 DHEDMM Cc1csc(C(C#N)=C([O-])c2ccc(N3CCC(C)=N3)cc2)n1 ZINC000048789107 1025676831 /nfs/dbraw/zinc/67/68/31/1025676831.db2.gz GFTGWSTWVKXADG-OAHLLOKOSA-N -1 1 324.409 3.528 20 30 DHEDMM COc1ccc([O-])c(C(=O)/C=C\c2cnc(Cl)c(C)c2)c1 ZINC000760265482 1025941739 /nfs/dbraw/zinc/94/17/39/1025941739.db2.gz OOJWPSLJIKTFAC-HYXAFXHYSA-N -1 1 303.745 3.654 20 30 DHEDMM Cc1ccccc1[C@@H]1CCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000614297201 1026047337 /nfs/dbraw/zinc/04/73/37/1026047337.db2.gz VWNJTLQFMFEDTE-SFHVURJKSA-N -1 1 306.365 3.550 20 30 DHEDMM C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614298244 1026050049 /nfs/dbraw/zinc/05/00/49/1026050049.db2.gz RJJYZNGAWHUYOJ-CQSZACIVSA-N -1 1 322.408 3.750 20 30 DHEDMM CC(=NNc1ccc([N+](=O)[O-])cc1C)c1cc(F)cc(F)c1[O-] ZINC000807990295 1026165566 /nfs/dbraw/zinc/16/55/66/1026165566.db2.gz ZQJGVFVBZNTCBX-UHFFFAOYSA-N -1 1 321.283 3.723 20 30 DHEDMM CC(N=Nc1nccnc1C1CCC1)c1cc(F)cc(F)c1[O-] ZINC000807992653 1026168836 /nfs/dbraw/zinc/16/88/36/1026168836.db2.gz JCAQQOXERJXEBI-UHFFFAOYSA-N -1 1 318.327 3.564 20 30 DHEDMM C[C@H](c1cccc(Cl)c1)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614361652 1026255067 /nfs/dbraw/zinc/25/50/67/1026255067.db2.gz LGFWXUXGUCESJA-LLVKDONJSA-N -1 1 314.772 3.750 20 30 DHEDMM CC(C)(NC(=O)c1cc([O-])cc(C#N)c1)c1cccc(Cl)c1 ZINC000614369677 1026260557 /nfs/dbraw/zinc/26/05/57/1026260557.db2.gz KQODWXWFEPHASV-UHFFFAOYSA-N -1 1 314.772 3.582 20 30 DHEDMM Cc1ccc(C)c([C@H]2CCCN2C(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000614371770 1026266776 /nfs/dbraw/zinc/26/67/76/1026266776.db2.gz BYKOFAFKYWTEDU-LJQANCHMSA-N -1 1 320.392 3.858 20 30 DHEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(C3CCCC3)cc2)c(=O)o1 ZINC000812240496 1027221442 /nfs/dbraw/zinc/22/14/42/1027221442.db2.gz NSBUSDOJKZFNPF-POGDKVGISA-N -1 1 324.376 3.572 20 30 DHEDMM CC(=NNc1ccccc1C(=O)[O-])c1ccccc1OC(F)F ZINC000812442103 1027280746 /nfs/dbraw/zinc/28/07/46/1027280746.db2.gz PSSZBMHURTYRBE-UHFFFAOYSA-N -1 1 320.295 3.822 20 30 DHEDMM CCc1nc(S[C@H](C#N)CCc2ccccc2)[n-]c(=O)c1C ZINC000601084145 1027977771 /nfs/dbraw/zinc/97/77/71/1027977771.db2.gz VPIQJGJQVAJVJY-AWEZNQCLSA-N -1 1 313.426 3.670 20 30 DHEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(F)c2ccccc12 ZINC000814681364 1028150844 /nfs/dbraw/zinc/15/08/44/1028150844.db2.gz ILMSLTYIKLSVPD-UHFFFAOYSA-N -1 1 310.332 3.619 20 30 DHEDMM Cc1c2ccccc2n(C)c1CN=Nc1ccccc1C(=O)[O-] ZINC000814769178 1028201650 /nfs/dbraw/zinc/20/16/50/1028201650.db2.gz VGFSIPAUEDKXCJ-UHFFFAOYSA-N -1 1 307.353 3.631 20 30 DHEDMM CCCCOc1ccccc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000566307515 1028702839 /nfs/dbraw/zinc/70/28/39/1028702839.db2.gz CEYVFXLCZAZTSD-UHFFFAOYSA-N -1 1 324.446 3.547 20 30 DHEDMM Cc1nc(C(C)C)oc1C([O-])=C(C#N)c1nc2cccc(C)c2[nH]1 ZINC000567307215 1028870960 /nfs/dbraw/zinc/87/09/60/1028870960.db2.gz CHBYQRILMSYSQK-LBPRGKRZSA-N -1 1 322.368 3.781 20 30 DHEDMM COc1cc(C#N)ccc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000570379825 1029359092 /nfs/dbraw/zinc/35/90/92/1029359092.db2.gz PSGAKFLEPUKNMD-UHFFFAOYSA-N -1 1 317.732 3.570 20 30 DHEDMM COc1cc(N[C@@H](C)c2cccc(C#N)c2[O-])cc(OC)c1C ZINC000866363242 1030256436 /nfs/dbraw/zinc/25/64/36/1030256436.db2.gz KQMLCVSTDIIEFA-LBPRGKRZSA-N -1 1 312.369 3.763 20 30 DHEDMM O=c1[n-]c(N=NCCc2cccc(Cl)c2)nc2ccccc21 ZINC000794919430 1030275539 /nfs/dbraw/zinc/27/55/39/1030275539.db2.gz YFALJLPUTVUNKK-UHFFFAOYSA-N -1 1 312.760 3.629 20 30 DHEDMM Cc1ccccc1-n1nccc1/C=C1/Oc2cc([O-])ccc2C1=O ZINC000794936641 1030411507 /nfs/dbraw/zinc/41/15/07/1030411507.db2.gz CSQWHHVJXRYEIS-VCHYOVAHSA-N -1 1 318.332 3.503 20 30 DHEDMM N#Cc1ccc(C(=O)/C=C/c2c(F)ccc([O-])c2F)cc1F ZINC000794947334 1030434386 /nfs/dbraw/zinc/43/43/86/1030434386.db2.gz XCKKGKFCLLJKDO-HWKANZROSA-N -1 1 303.239 3.577 20 30 DHEDMM Cc1ccccc1-n1nccc1/C=C1\Cc2cc([O-])ccc2C1=O ZINC000794943749 1030436300 /nfs/dbraw/zinc/43/63/00/1030436300.db2.gz ACSGWIVMKKWXIO-RVDMUPIBSA-N -1 1 316.360 3.709 20 30 DHEDMM CC[C@@H](Nc1cnn([C@@H](C)C2CC2)c1)c1cccc(C#N)c1[O-] ZINC000926219284 1030662510 /nfs/dbraw/zinc/66/25/10/1030662510.db2.gz ODSFPUACANGTTI-YVEFUNNKSA-N -1 1 310.401 3.995 20 30 DHEDMM C=CCC[C@H](C)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000825011484 1030688802 /nfs/dbraw/zinc/68/88/02/1030688802.db2.gz LMBFVUZMSCDRHZ-LBPRGKRZSA-N -1 1 314.351 3.940 20 30 DHEDMM CC(C)(C#N)CCCCOC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000869736665 1030848597 /nfs/dbraw/zinc/84/85/97/1030848597.db2.gz LUDYOFCMAJHCKZ-UHFFFAOYSA-N -1 1 309.793 3.851 20 30 DHEDMM N#Cc1cccc(O[N-]C(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)c1 ZINC000870691354 1031065157 /nfs/dbraw/zinc/06/51/57/1031065157.db2.gz OKZFFQHJYVZYEY-IAGOWNOFSA-N -1 1 306.365 3.552 20 30 DHEDMM [O-]/N=C(\OC(C1CC1)C1CC1)c1ccccc1Br ZINC001223884921 1031109060 /nfs/dbraw/zinc/10/90/60/1031109060.db2.gz VCLRFVIKQRLDMB-PEZBUJJGSA-N -1 1 310.191 3.790 20 30 DHEDMM CSc1ccc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2O)cc1 ZINC000757471968 1031146771 /nfs/dbraw/zinc/14/67/71/1031146771.db2.gz GLIHLKQWAMTZGN-YWEYNIOJSA-N -1 1 314.362 3.708 20 30 DHEDMM O=C(/C=C/c1nc2c(s1)CCCC2)c1cccc([O-])c1F ZINC000871672290 1031262527 /nfs/dbraw/zinc/26/25/27/1031262527.db2.gz NJRPIQPQBKOIRQ-CMDGGOBGSA-N -1 1 303.358 3.763 20 30 DHEDMM Cc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c2nccn2c1 ZINC000626355859 1031268788 /nfs/dbraw/zinc/26/87/88/1031268788.db2.gz GGOBQTKKSNXKOA-ZDUSSCGKSA-N -1 1 324.409 3.713 20 30 DHEDMM N#CCCN(Cc1ccccc1)Cc1c(F)cc([O-])cc1F ZINC001144541820 1031688438 /nfs/dbraw/zinc/68/84/38/1031688438.db2.gz LPKFLFQUYQYLQB-UHFFFAOYSA-N -1 1 302.324 3.586 20 30 DHEDMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1CC#N ZINC000193359664 1031727825 /nfs/dbraw/zinc/72/78/25/1031727825.db2.gz SRGGHEUHSNMRGD-UHFFFAOYSA-N -1 1 320.801 3.515 20 30 DHEDMM COCc1cccc(C([O-])=C(C#N)c2nc3ccccc3s2)c1 ZINC000041502775 1033327671 /nfs/dbraw/zinc/32/76/71/1033327671.db2.gz HAFBUKALKJGPES-CQSZACIVSA-N -1 1 322.389 3.933 20 30 DHEDMM O=c1[n-]c(=S)[nH]c(Nc2ccoc2)c1N=Cc1ccccc1 ZINC001173933402 1033999053 /nfs/dbraw/zinc/99/90/53/1033999053.db2.gz PFZSTAAHDAJBJQ-LZYBPNLTSA-N -1 1 312.354 3.558 20 30 DHEDMM C=CC[C@@H]1CCCN(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC000898671614 1034176758 /nfs/dbraw/zinc/17/67/58/1034176758.db2.gz VEKPCVRCLVCGFS-CYBMUJFWSA-N -1 1 311.381 3.679 20 30 DHEDMM O=C(/C=C/c1cccc([O-])c1Cl)c1cnn(C2CCC2)c1 ZINC000899400385 1034639196 /nfs/dbraw/zinc/63/91/96/1034639196.db2.gz JHAXPPUPITWMQE-BQYQJAHWSA-N -1 1 302.761 3.863 20 30 DHEDMM N#Cc1cnnc(-c2ccccc2)c1Nc1c(F)ccc([O-])c1F ZINC001175266194 1034914721 /nfs/dbraw/zinc/91/47/21/1034914721.db2.gz QXCGPRUMBQIYCR-UHFFFAOYSA-N -1 1 324.290 3.743 20 30 DHEDMM CCCCCCCS(=O)(=O)[N-]c1ncc(Cl)cc1C ZINC000812337924 1035377964 /nfs/dbraw/zinc/37/79/64/1035377964.db2.gz JWFAAIGSHDWSGV-UHFFFAOYSA-N -1 1 304.843 3.756 20 30 DHEDMM C=CCN(C(=O)c1ccc(O)c([O-])c1Cl)C1CCCCC1 ZINC001193233439 1035589939 /nfs/dbraw/zinc/58/99/39/1035589939.db2.gz YVHAUSXHXIUFAK-UHFFFAOYSA-N -1 1 309.793 3.712 20 30 DHEDMM C[C@@H](C#N)c1ccc(NC(=O)c2ccc(O)c([O-])c2Cl)cc1 ZINC001193233450 1035594458 /nfs/dbraw/zinc/59/44/58/1035594458.db2.gz ZFJBGNGDMAGWSD-VIFPVBQESA-N -1 1 316.744 3.631 20 30 DHEDMM CCC(CC)(C(=O)Nc1ccc(C#N)cc1[O-])c1ccccc1 ZINC001181155857 1035853173 /nfs/dbraw/zinc/85/31/73/1035853173.db2.gz QVCOBNDRLSAIBU-UHFFFAOYSA-N -1 1 308.381 3.960 20 30 DHEDMM N#Cc1cc(C(=O)Nc2cc(Cl)ccc2[O-])ccc1Cl ZINC000539785620 1035854912 /nfs/dbraw/zinc/85/49/12/1035854912.db2.gz PXBOFIFSOLCWBY-UHFFFAOYSA-N -1 1 307.136 3.823 20 30 DHEDMM CC(C)c1cccc(S(=O)(=O)[N-]c2cc(F)cc(C#N)c2)c1 ZINC001195154399 1036161925 /nfs/dbraw/zinc/16/19/25/1036161925.db2.gz YVMYFNBMMQFFCD-UHFFFAOYSA-N -1 1 318.373 3.622 20 30 DHEDMM CC#CCCCCCCCC(=O)N([O-])C(=N)c1ccccc1N ZINC001182769752 1036453650 /nfs/dbraw/zinc/45/36/50/1036453650.db2.gz SMGPKEBWTJATMN-UHFFFAOYSA-N -1 1 315.417 3.566 20 30 DHEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)N3C4CCC3CC4)c2)c1 ZINC001196317990 1036498587 /nfs/dbraw/zinc/49/85/87/1036498587.db2.gz AFEKKUBLFGOTBC-UHFFFAOYSA-N -1 1 318.376 3.698 20 30 DHEDMM C[C@@H](C(=O)Nc1ccc(C#N)cc1[O-])c1ccccc1Cl ZINC001184476264 1036855968 /nfs/dbraw/zinc/85/59/68/1036855968.db2.gz IKMSGIFYUJMSLU-SNVBAGLBSA-N -1 1 300.745 3.659 20 30 DHEDMM Cc1c(Cl)cccc1NC(=O)Nc1scc([O-])c1C#N ZINC001184655531 1036919443 /nfs/dbraw/zinc/91/94/43/1036919443.db2.gz OVARCZCMCKPALA-UHFFFAOYSA-N -1 1 307.762 3.931 20 30 DHEDMM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201319706 1037605823 /nfs/dbraw/zinc/60/58/23/1037605823.db2.gz GNYMFYVROYVYBV-UHFFFAOYSA-N -1 1 314.410 3.620 20 30 DHEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)cc1C#N ZINC001201315932 1037606332 /nfs/dbraw/zinc/60/63/32/1037606332.db2.gz RLSZLVYQOXESTP-UHFFFAOYSA-N -1 1 322.336 3.605 20 30 DHEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1ccc(OC(F)F)cc1)O2 ZINC000915988973 1037639106 /nfs/dbraw/zinc/63/91/06/1037639106.db2.gz RAJRVFOFHXBOKD-VGOFMYFVSA-N -1 1 318.275 3.918 20 30 DHEDMM N#Cc1ccc(NC(=O)c2cccnc2-c2ccccc2)c([O-])c1 ZINC001187822203 1037731213 /nfs/dbraw/zinc/73/12/13/1037731213.db2.gz DRXBPXHWNTZTDG-UHFFFAOYSA-N -1 1 315.332 3.578 20 30 DHEDMM Cc1[nH]c(NC(=O)c2c(C)ccc(C(C)C)c2[O-])c(C#N)c1C ZINC001188166587 1037833003 /nfs/dbraw/zinc/83/30/03/1037833003.db2.gz DWLSVSUSYGQOAF-UHFFFAOYSA-N -1 1 311.385 3.893 20 30 DHEDMM Cc1ccc(Cl)cc1NC(=O)Nc1ccc([O-])c(C#N)c1 ZINC001188733991 1037973034 /nfs/dbraw/zinc/97/30/34/1037973034.db2.gz OAVGHOJVNBKZMS-UHFFFAOYSA-N -1 1 301.733 3.870 20 30 DHEDMM Cc1ccc(Cl)cc1NC(=O)Nc1c([O-])cccc1C#N ZINC001188733598 1037973732 /nfs/dbraw/zinc/97/37/32/1037973732.db2.gz ANSSXHFXXOCECG-UHFFFAOYSA-N -1 1 301.733 3.870 20 30 DHEDMM CCc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1Cl ZINC000588030439 1038219682 /nfs/dbraw/zinc/21/96/82/1038219682.db2.gz HFACQVYCQDNCLG-UHFFFAOYSA-N -1 1 300.745 3.732 20 30 DHEDMM CC(C)c1ccc(C[C@@H](C)NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000589196860 1038447449 /nfs/dbraw/zinc/44/74/49/1038447449.db2.gz WSJGNIVXOAEHQK-CQSZACIVSA-N -1 1 322.408 3.748 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H]2/C=C/c2ccccc2)c1 ZINC000589199375 1038449689 /nfs/dbraw/zinc/44/96/89/1038449689.db2.gz GORBUAGEOQPGLY-BLGFXRMMSA-N -1 1 318.376 3.582 20 30 DHEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC000589438960 1038480659 /nfs/dbraw/zinc/48/06/59/1038480659.db2.gz IVRQTGBQVMDBMN-UHFFFAOYSA-N -1 1 317.410 3.751 20 30 DHEDMM COc1ccc(N(CC(C)C)C(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000591543189 1038919879 /nfs/dbraw/zinc/91/98/79/1038919879.db2.gz SBDCYZVZWKNQOX-UHFFFAOYSA-N -1 1 324.380 3.575 20 30 DHEDMM N#Cc1cc(-c2ccc(SC3CCOCC3)nc2)ccc1[O-] ZINC000593955099 1039789227 /nfs/dbraw/zinc/78/92/27/1039789227.db2.gz XYMIHBVCFCHSQP-UHFFFAOYSA-N -1 1 312.394 3.597 20 30 DHEDMM O=C(/C=C/c1ccc([O-])c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000060132418 1040454884 /nfs/dbraw/zinc/45/48/84/1040454884.db2.gz FGXQPRWMNLHWCS-LREOWRDNSA-N -1 1 303.701 3.850 20 30 DHEDMM C=CCCCS(=O)(=O)[N-]c1cnccc1Oc1ccccc1 ZINC000427777529 332514780 /nfs/dbraw/zinc/51/47/80/332514780.db2.gz YNJJWFALHJTIPJ-UHFFFAOYSA-N -1 1 318.398 3.582 20 30 DHEDMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(C#N)c1C ZINC000179028531 333023373 /nfs/dbraw/zinc/02/33/73/333023373.db2.gz BSAVZSVNHXSBCI-UHFFFAOYSA-N -1 1 320.801 3.629 20 30 DHEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc1Cl ZINC000179027456 333023375 /nfs/dbraw/zinc/02/33/75/333023375.db2.gz IDQKUQTTWMFNQW-UHFFFAOYSA-N -1 1 320.801 3.629 20 30 DHEDMM C=CCCC[C@H](C)NC(=O)c1ccc(Br)c([O-])c1 ZINC000182644178 333044366 /nfs/dbraw/zinc/04/43/66/333044366.db2.gz DJGSUNDDSQXYCT-JTQLQIEISA-N -1 1 312.207 3.629 20 30 DHEDMM Cc1cc(Cl)cc(NC(=O)c2cccc(F)c2C#N)c1[O-] ZINC000187337199 333430703 /nfs/dbraw/zinc/43/07/03/333430703.db2.gz RGRNGARIKUENHS-UHFFFAOYSA-N -1 1 304.708 3.617 20 30 DHEDMM CC1(C)CCCN(C(=O)c2ccc3ccccc3c2[O-])[C@@H]1C#N ZINC000277828196 334091093 /nfs/dbraw/zinc/09/10/93/334091093.db2.gz IAUPXSGEFBDBKG-MRXNPFEDSA-N -1 1 308.381 3.700 20 30 DHEDMM C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000344006840 335212326 /nfs/dbraw/zinc/21/23/26/335212326.db2.gz JDFYYNODYQUFKA-ZBFHGGJFSA-N -1 1 320.392 3.672 20 30 DHEDMM CN(C(=O)c1cc([O-])c2ccccc2c1)c1cccc(C#N)c1 ZINC000526882336 336274155 /nfs/dbraw/zinc/27/41/55/336274155.db2.gz TUILRERUVDKMOR-UHFFFAOYSA-N -1 1 302.333 3.694 20 30 DHEDMM N#CC(=C([O-])c1ccc2cc[nH]c2n1)c1nccc2ccccc21 ZINC000361531301 336761349 /nfs/dbraw/zinc/76/13/49/336761349.db2.gz QKEKGZKPASHQBP-HNNXBMFYSA-N -1 1 312.332 3.601 20 30 DHEDMM CC(C)c1csc(C(C#N)=C([O-])c2cc(C(C)C)nn2C)n1 ZINC000177750837 337157174 /nfs/dbraw/zinc/15/71/74/337157174.db2.gz SUDPARVVSUJFTR-NSHDSACASA-N -1 1 316.430 3.613 20 30 DHEDMM C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccccc1[O-] ZINC000108238172 337835237 /nfs/dbraw/zinc/83/52/37/337835237.db2.gz UPNYNRLJCUFFBN-LBPRGKRZSA-N -1 1 312.394 3.896 20 30 DHEDMM CCc1cc(=O)[n-]c(SCC#Cc2cccc(Cl)c2)n1 ZINC000436205480 338261869 /nfs/dbraw/zinc/26/18/69/338261869.db2.gz DDVPDYMNLQFVPC-UHFFFAOYSA-N -1 1 304.802 3.542 20 30 DHEDMM COc1ccc(C#N)cc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436541981 338276064 /nfs/dbraw/zinc/27/60/64/338276064.db2.gz BJQZRYSHEHGBRA-UHFFFAOYSA-N -1 1 310.353 3.648 20 30 DHEDMM COc1ccc(C#N)cc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000436547406 338276508 /nfs/dbraw/zinc/27/65/08/338276508.db2.gz XISMJHWDWDYEIT-UHFFFAOYSA-N -1 1 318.332 3.678 20 30 DHEDMM N#C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccccc1Cl ZINC000436619261 338280241 /nfs/dbraw/zinc/28/02/41/338280241.db2.gz QQFCTAXACBTTPS-CYBMUJFWSA-N -1 1 321.163 3.694 20 30 DHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C3CCC3)cc2)cc1 ZINC000447277926 338548014 /nfs/dbraw/zinc/54/80/14/338548014.db2.gz LQJFDUTXKKZIBY-UHFFFAOYSA-N -1 1 312.394 3.627 20 30 DHEDMM N#CC(=C([O-])c1ccccc1OC1CCCCC1)c1ccncn1 ZINC000544816334 341094752 /nfs/dbraw/zinc/09/47/52/341094752.db2.gz NINDXTASLVOHSL-MRXNPFEDSA-N -1 1 321.380 3.678 20 30 DHEDMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000078969378 341250793 /nfs/dbraw/zinc/25/07/93/341250793.db2.gz GORHKAZRYOLVKQ-UHFFFAOYSA-N -1 1 320.801 3.629 20 30 DHEDMM C[C@](C#N)(NC(=O)c1ccc(Cl)cc1[O-])C1CCCCC1 ZINC000550747299 341322417 /nfs/dbraw/zinc/32/24/17/341322417.db2.gz BQZJIKWGEFWQTL-MRXNPFEDSA-N -1 1 306.793 3.638 20 30 DHEDMM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1Cl ZINC000827718458 601297566 /nfs/dbraw/zinc/29/75/66/601297566.db2.gz SODDHLIZZYTOPW-BDJLRTHQSA-N -1 1 314.772 3.688 20 30 DHEDMM CCc1ccc([C@@H](C)NCc2cccc(C(=O)[O-])c2C#N)cc1 ZINC000833668705 605061504 /nfs/dbraw/zinc/06/15/04/605061504.db2.gz AQILETIKJKVARY-CYBMUJFWSA-N -1 1 308.381 3.670 20 30 DHEDMM CC(N=Nc1ccccc1Cl)c1ccccc1OCC(=O)[O-] ZINC000833386958 605323583 /nfs/dbraw/zinc/32/35/83/605323583.db2.gz FPQHWUKJWAXEBA-UHFFFAOYSA-N -1 1 318.760 3.640 20 30 DHEDMM Cc1cc(C)c(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1C ZINC000826263102 608093512 /nfs/dbraw/zinc/09/35/12/608093512.db2.gz LLMWYBGFGBFFGM-SNAWJCMRSA-N -1 1 324.409 3.750 20 30 DHEDMM Cc1cc(C)c(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1C ZINC000826263102 608093513 /nfs/dbraw/zinc/09/35/13/608093513.db2.gz LLMWYBGFGBFFGM-SNAWJCMRSA-N -1 1 324.409 3.750 20 30 DHEDMM COc1cccc2c1OC/C(=C\c1ccc([O-])c(Cl)c1)C2=O ZINC000120858711 1013363998 /nfs/dbraw/zinc/36/39/98/1013363998.db2.gz LGQZVVHZHCOUIW-YRNVUSSQSA-N -1 1 316.740 3.713 20 30 DHEDMM C=CCCCN(CC)C(=O)c1ccc(Br)c([O-])c1 ZINC000890812506 1013510959 /nfs/dbraw/zinc/51/09/59/1013510959.db2.gz YBCQVARDHDNQKI-UHFFFAOYSA-N -1 1 312.207 3.583 20 30 DHEDMM COc1cc(C(=O)NCC2CCSCC2)cc(Cl)c1[O-] ZINC000331288326 1013875071 /nfs/dbraw/zinc/87/50/71/1013875071.db2.gz ZOBIEBRUNAUZTD-UHFFFAOYSA-N -1 1 315.822 3.502 20 30 DHEDMM N#CC(=C([O-])c1ccc2c(c1)COC2)c1nc2ccccc2s1 ZINC000050205205 1014110208 /nfs/dbraw/zinc/11/02/08/1014110208.db2.gz YTDRYNMHVZDURJ-CQSZACIVSA-N -1 1 320.373 3.817 20 30 DHEDMM C=CCN(Cc1ccc(OC)cc1)[C@H](C)c1ccc(C(=O)[O-])o1 ZINC000575065238 974794426 /nfs/dbraw/zinc/79/44/26/974794426.db2.gz BMRZXDRKDPDQLS-CYBMUJFWSA-N -1 1 315.369 3.736 20 30 DHEDMM CCc1oc2ccccc2c1CN=Nc1ccc(C(=O)[O-])cn1 ZINC000763369433 978722025 /nfs/dbraw/zinc/72/20/25/978722025.db2.gz VYINPPBYWOGNSG-UHFFFAOYSA-N -1 1 309.325 3.534 20 30 DHEDMM N#Cc1ccc(C(=O)N[C@H](CC2CCC2)c2ccccc2)cc1[O-] ZINC000443110311 1014814354 /nfs/dbraw/zinc/81/43/54/1014814354.db2.gz AVPQJUPEAYDSGN-GOSISDBHSA-N -1 1 320.392 3.925 20 30 DHEDMM CCCCCCCCC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001595705279 982283425 /nfs/dbraw/zinc/28/34/25/982283425.db2.gz UBCDWIUKPBFTPU-UHFFFAOYSA-N -1 1 317.389 3.950 20 30 DHEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(Cl)cc3C)nc1-2 ZINC000361806128 1032105295 /nfs/dbraw/zinc/10/52/95/1032105295.db2.gz FNJFWAKVWHJMLG-CYBMUJFWSA-N -1 1 324.771 3.718 20 30 DHEDMM O=C(/C=C\c1ccc(O)c(Cl)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000255333500 1015090747 /nfs/dbraw/zinc/09/07/47/1015090747.db2.gz ZGMXXLQZMWDITG-RJRFIUFISA-N -1 1 319.700 3.556 20 30 DHEDMM C[C@H]1CCN(Cc2cccc(C(=O)[O-])c2C#N)[C@@H]1c1ccccc1 ZINC001594423802 999583572 /nfs/dbraw/zinc/58/35/72/999583572.db2.gz ICFTYWCKUSIZKP-LIRRHRJNSA-N -1 1 320.392 3.840 20 30 DHEDMM O=C1c2ccc([O-])cc2C/C1=C\c1csc(-c2ccccn2)n1 ZINC000588535242 1017053919 /nfs/dbraw/zinc/05/39/19/1017053919.db2.gz XRIYPYHPLKBPRO-XYOKQWHBSA-N -1 1 320.373 3.733 20 30 DHEDMM Cn1cc(/C=C2/Cc3cc([O-])ccc3C2=O)c(C2CCCCC2)n1 ZINC000588535029 1017060297 /nfs/dbraw/zinc/06/02/97/1017060297.db2.gz DGXXNFTXJKXENL-GDNBJRDFSA-N -1 1 322.408 3.996 20 30 DHEDMM C=C1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000664571843 1012758876 /nfs/dbraw/zinc/75/88/76/1012758876.db2.gz KBEYZXHRJLIORP-IYBDPMFKSA-N -1 1 322.412 3.548 20 30 DHEDMM CCNc1ccc(C#N)cc1NC(=O)c1cc([O-])ccc1Cl ZINC000342861347 1017610046 /nfs/dbraw/zinc/61/00/46/1017610046.db2.gz XILKTJZJYBBZIZ-UHFFFAOYSA-N -1 1 315.760 3.601 20 30 DHEDMM Cc1cccc(CNN=Cc2ccc([O-])c(Br)c2)c1 ZINC000764716193 1018356232 /nfs/dbraw/zinc/35/62/32/1018356232.db2.gz VFZPPWZPWKBSKG-UHFFFAOYSA-N -1 1 319.202 3.587 20 30 DHEDMM N#Cc1ccc(C(=O)NCc2cccc(Cl)c2Cl)cc1[O-] ZINC000527198328 1018533754 /nfs/dbraw/zinc/53/37/54/1018533754.db2.gz WFXWCABRVOSGQE-UHFFFAOYSA-N -1 1 321.163 3.501 20 30 DHEDMM N#Cc1cccc(COC(=O)c2ccc(Cl)c(Cl)c2[O-])c1 ZINC000730361230 1019978846 /nfs/dbraw/zinc/97/88/46/1019978846.db2.gz ZZWZSYUNMRLDKJ-UHFFFAOYSA-N -1 1 322.147 3.928 20 30 DHEDMM O=C(/C=C/c1cccc(OC(F)F)c1)c1cc(O)ccc1[O-] ZINC000176955063 1020104579 /nfs/dbraw/zinc/10/45/79/1020104579.db2.gz LTGKHRINWQGSEQ-GQCTYLIASA-N -1 1 306.264 3.595 20 30 DHEDMM COCc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647372495 1020217510 /nfs/dbraw/zinc/21/75/10/1020217510.db2.gz NPPJTAXTJSDGQF-AWEZNQCLSA-N -1 1 312.394 3.657 20 30 DHEDMM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc(C#N)c([O-])c3)C2)cc1 ZINC000331183884 1020256996 /nfs/dbraw/zinc/25/69/96/1020256996.db2.gz SFOBXJQHAJFYKU-RDTXWAMCSA-N -1 1 320.392 3.591 20 30 DHEDMM CC(=NNc1ccc(Br)nc1)c1ccc(F)cc1[O-] ZINC000732711643 1020269576 /nfs/dbraw/zinc/26/95/76/1020269576.db2.gz FRAWCHISINCPEW-UHFFFAOYSA-N -1 1 324.153 3.525 20 30 DHEDMM C[C@](C#N)([N-]C(=O)C(F)(F)c1ccccc1F)C1CCCCC1 ZINC000765811749 1020308038 /nfs/dbraw/zinc/30/80/38/1020308038.db2.gz IQEWWZMSXQKAQA-MRXNPFEDSA-N -1 1 324.346 3.896 20 30 DHEDMM Cc1ccccc1C1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000188292814 1020335529 /nfs/dbraw/zinc/33/55/29/1020335529.db2.gz PCMIYGAYHDSFIP-UHFFFAOYSA-N -1 1 320.392 3.592 20 30 DHEDMM Cc1cc(=O)[n-]c(NN=Cc2cc(-c3ccccc3)cs2)n1 ZINC000917529438 1021293932 /nfs/dbraw/zinc/29/39/32/1021293932.db2.gz PXUBIBRDQPPDOW-UHFFFAOYSA-N -1 1 310.382 3.665 20 30 DHEDMM Cc1cccc(C2=CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)c1 ZINC000189089004 1021328224 /nfs/dbraw/zinc/32/82/24/1021328224.db2.gz ZTIYBRBACCSCFF-UHFFFAOYSA-N -1 1 318.376 3.502 20 30 DHEDMM CCc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)cc1 ZINC000033880343 1022005932 /nfs/dbraw/zinc/00/59/32/1022005932.db2.gz YHUHSYYRRDWSNK-UHFFFAOYSA-N -1 1 320.801 3.575 20 30 DHEDMM Cc1cc(C(=O)[N-]c2ccccc2S[C@@H](C)CC#N)on1 ZINC000066802082 1022123986 /nfs/dbraw/zinc/12/39/86/1022123986.db2.gz BJYNJYFPJUNOAI-NSHDSACASA-N -1 1 301.371 3.630 20 30 DHEDMM N#CC(=C([O-])c1cccs1)c1nc2ccccc2n1C(F)F ZINC000041558806 1022173303 /nfs/dbraw/zinc/17/33/03/1022173303.db2.gz HBQDVACVEMMSOT-SECBINFHSA-N -1 1 317.320 3.983 20 30 DHEDMM [O-]/N=C/c1cccc(NCc2ccsc2Br)c1 ZINC001169055487 1022233340 /nfs/dbraw/zinc/23/33/40/1022233340.db2.gz FZCICJINQUGWOS-VIZOYTHASA-N -1 1 311.204 3.931 20 30 DHEDMM N#Cc1ccc(C(=O)N[C@H](CC2CC2)c2ccccc2)cc1[O-] ZINC000615481479 1022485422 /nfs/dbraw/zinc/48/54/22/1022485422.db2.gz MMNDASWFQBKTOG-QGZVFWFLSA-N -1 1 306.365 3.535 20 30 DHEDMM [O-]/N=C/c1cc(NCCc2cncs2)cc(C(F)(F)F)c1 ZINC001169867838 1022578715 /nfs/dbraw/zinc/57/87/15/1022578715.db2.gz YTMGSRDJDGTQAU-KPSZGOFPSA-N -1 1 315.320 3.625 20 30 DHEDMM CC(C)[C@@H](CNC(=O)c1cc([O-])cc(C#N)c1)Cc1ccccc1 ZINC000615889509 1022584027 /nfs/dbraw/zinc/58/40/27/1022584027.db2.gz PXNJAOZCTUSOMG-GOSISDBHSA-N -1 1 322.408 3.509 20 30 DHEDMM Cc1cccc(-c2n[nH]cc2C=C2Oc3cc([O-])ccc3C2=O)c1 ZINC000728785360 1022964048 /nfs/dbraw/zinc/96/40/48/1022964048.db2.gz BVMYTLXEZJDXMI-CAOOACKPSA-N -1 1 318.332 3.707 20 30 DHEDMM CCCCCCCCCN(C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000806544937 1033112753 /nfs/dbraw/zinc/11/27/53/1033112753.db2.gz BSENAOADGCIHEL-UHFFFAOYSA-N -1 1 305.418 3.784 20 30 DHEDMM CCn1nc(/C=C\C(=O)c2cc(OC)ccc2[O-])c2ccccc21 ZINC000769747124 1023209316 /nfs/dbraw/zinc/20/93/16/1023209316.db2.gz VNOLWZPAESIYGX-LUAWRHEFSA-N -1 1 322.364 3.667 20 30 DHEDMM COc1cc(/C=C\C(=O)c2cc(C)ccc2[O-])ccc1[N+](=O)[O-] ZINC000770572329 1023324799 /nfs/dbraw/zinc/32/47/99/1023324799.db2.gz OPSYNNNXJRBSGG-YVMONPNESA-N -1 1 313.309 3.514 20 30 DHEDMM CCOC(=O)c1cc(-c2cccc([O-])c2Cl)ccc1C#N ZINC001242802156 1023620884 /nfs/dbraw/zinc/62/08/84/1023620884.db2.gz UALHCZPJDNUJDB-UHFFFAOYSA-N -1 1 301.729 3.761 20 30 DHEDMM Cc1ccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2Cl)c(O)c1 ZINC000787171207 1023768645 /nfs/dbraw/zinc/76/86/45/1023768645.db2.gz JDPARCCFPCJIOX-VURMDHGXSA-N -1 1 316.740 3.948 20 30 DHEDMM COc1ccc2nc(/C=C\C(=O)c3ccc([O-])cc3)sc2c1 ZINC000788731180 1023927318 /nfs/dbraw/zinc/92/73/18/1023927318.db2.gz GNZRHQCQTFPRDW-HJWRWDBZSA-N -1 1 311.362 3.907 20 30 DHEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1ccnn1-c1ccccc1)O2 ZINC000790605770 1024337202 /nfs/dbraw/zinc/33/72/02/1024337202.db2.gz ZLLGREOEIKJACU-YVLHZVERSA-N -1 1 318.332 3.503 20 30 DHEDMM O=C1c2ccc([O-])cc2O/C1=C\c1ccnc(Cl)c1Cl ZINC000791435331 1024496262 /nfs/dbraw/zinc/49/62/62/1024496262.db2.gz SHQHMEODHKIGRT-WZUFQYTHSA-N -1 1 308.120 3.710 20 30 DHEDMM N#CC(=C([O-])C=C(C1CC1)C1CC1)c1cnc2ccccc2n1 ZINC000792113412 1024627157 /nfs/dbraw/zinc/62/71/57/1024627157.db2.gz HNPHVDSEQXPDJN-HNNXBMFYSA-N -1 1 303.365 3.552 20 30 DHEDMM CC1(C)Cc2cc(/C=C3/Oc4cc([O-])ccc4C3=O)ccc2O1 ZINC000729148602 1024781536 /nfs/dbraw/zinc/78/15/36/1024781536.db2.gz CYGGVNZQMZNSNQ-CAOOACKPSA-N -1 1 308.333 3.722 20 30 DHEDMM C#CCOc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000792786056 1024791756 /nfs/dbraw/zinc/79/17/56/1024791756.db2.gz QCZWKXJCXBCDGQ-UHFFFAOYSA-N -1 1 316.744 3.702 20 30 DHEDMM CCc1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)sc1C ZINC000046706396 1025591775 /nfs/dbraw/zinc/59/17/75/1025591775.db2.gz KDKPIFOISORIIQ-GFCCVEGCSA-N -1 1 309.394 3.985 20 30 DHEDMM N#CCSCCCOC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000805446764 1025600331 /nfs/dbraw/zinc/60/03/31/1025600331.db2.gz QBAJQFZRFCPJEV-UHFFFAOYSA-N -1 1 320.197 3.503 20 30 DHEDMM CC(C)c1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)nc1 ZINC000355121715 1025609819 /nfs/dbraw/zinc/60/98/19/1025609819.db2.gz WEWJQMKSJZJKOY-ZDUSSCGKSA-N -1 1 304.353 3.571 20 30 DHEDMM N#CC(=C([O-])c1cscc1-c1ccccc1)c1ccncn1 ZINC000355206443 1025635263 /nfs/dbraw/zinc/63/52/63/1025635263.db2.gz OVSDFJOSLGVFPN-ZDUSSCGKSA-N -1 1 305.362 3.695 20 30 DHEDMM O=C([O-])c1ccc(C(=O)/C=C\c2ccc(C(F)F)cc2)c(O)c1 ZINC000806560468 1025920893 /nfs/dbraw/zinc/92/08/93/1025920893.db2.gz MFVOLXTUGTWGSR-BAQGIRSFSA-N -1 1 318.275 3.924 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H](c2ccccc2)C2CCCC2)c1 ZINC000614298102 1026050189 /nfs/dbraw/zinc/05/01/89/1026050189.db2.gz COKCLKYMUUBWKY-IBGZPJMESA-N -1 1 320.392 3.925 20 30 DHEDMM CC(C)Oc1cccc([C@@H](C)NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000614296541 1026052407 /nfs/dbraw/zinc/05/24/07/1026052407.db2.gz FZIIFXBVHGWALW-CYBMUJFWSA-N -1 1 324.380 3.542 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)NC2CCC(c3ccccc3)CC2)c1 ZINC000614295616 1026058012 /nfs/dbraw/zinc/05/80/12/1026058012.db2.gz YVRYJUGVVQWXGE-UHFFFAOYSA-N -1 1 320.392 3.720 20 30 DHEDMM CC(=NN[C@@H]1CCSC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000808003511 1026175917 /nfs/dbraw/zinc/17/59/17/1026175917.db2.gz ZMTSFWBQWMXWKX-MRVPVSSYSA-N -1 1 305.230 3.518 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000614357258 1026251726 /nfs/dbraw/zinc/25/17/26/1026251726.db2.gz SDQLFUIEXHEPBR-UHFFFAOYSA-N -1 1 307.136 3.823 20 30 DHEDMM CC[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1cccc(Cl)c1 ZINC000614361703 1026255153 /nfs/dbraw/zinc/25/51/53/1026255153.db2.gz VSRFZYFNUOOAQC-INIZCTEOSA-N -1 1 314.772 3.798 20 30 DHEDMM CC(C)[C@H](c1ccccc1)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614369227 1026265185 /nfs/dbraw/zinc/26/51/85/1026265185.db2.gz QUVOZTIADSJMAR-GOSISDBHSA-N -1 1 308.381 3.733 20 30 DHEDMM COc1ccc2c(c1F)C/C(=C\c1ccc([O-])c(F)c1)C2=O ZINC000809156117 1026468715 /nfs/dbraw/zinc/46/87/15/1026468715.db2.gz JCUBQGHXQVAGIR-UXBLZVDNSA-N -1 1 302.276 3.501 20 30 DHEDMM CC(C)Cc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000026254285 1026521106 /nfs/dbraw/zinc/52/11/06/1026521106.db2.gz YUSDJUFKRQQCNW-UHFFFAOYSA-N -1 1 312.295 3.658 20 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COc1ccc(F)c(F)c1[N-]c1onc(C(C)(C)C)c1C#N ZINC001174422714 1034371253 /nfs/dbraw/zinc/37/12/53/1034371253.db2.gz KXZWOZJSWSQGOB-UHFFFAOYSA-N -1 1 307.300 3.874 20 30 DHEDMM C=CCC[C@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccccc1 ZINC000188555024 1034745051 /nfs/dbraw/zinc/74/50/51/1034745051.db2.gz PKSAEQAXHFGGCS-NSHDSACASA-N -1 1 324.306 3.512 20 30 DHEDMM CC(C)(O)C#Cc1cccc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176671145 1035310805 /nfs/dbraw/zinc/31/08/05/1035310805.db2.gz UCTUQXWILZZBBD-UHFFFAOYSA-N -1 1 321.298 3.676 20 30 DHEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(/N=N/c2ccccc2)cc1 ZINC001193145928 1035577590 /nfs/dbraw/zinc/57/75/90/1035577590.db2.gz CLZRZGPQXOGHIF-HNAMICAMSA-N -1 1 314.370 3.756 20 30 DHEDMM N#CC1(C(=O)Nc2cccc([O-])c2Br)CCCCC1 ZINC000908717081 1036492139 /nfs/dbraw/zinc/49/21/39/1036492139.db2.gz SUQDZCHKWOMJQN-UHFFFAOYSA-N -1 1 323.190 3.567 20 30 DHEDMM Cc1cc(C(=O)Nc2ccc(C#N)cc2[O-])cc(C)c1OC(C)C ZINC001197237584 1036715694 /nfs/dbraw/zinc/71/56/94/1036715694.db2.gz AVGNCKJFCQZRAV-UHFFFAOYSA-N -1 1 324.380 3.920 20 30 DHEDMM N#Cc1c(F)ccc(/C=C2\Cc3cc([O-])ccc3C2=O)c1Cl ZINC000761486053 1037094826 /nfs/dbraw/zinc/09/48/26/1037094826.db2.gz LKMYUCFZMFPXRY-VZUCSPMQSA-N -1 1 313.715 3.879 20 30 DHEDMM N#Cc1cccc([O-])c1NC(=S)Nc1cccc(Cl)c1 ZINC001201105617 1037529953 /nfs/dbraw/zinc/52/99/53/1037529953.db2.gz VRIMMRMOQVVBPT-UHFFFAOYSA-N -1 1 303.774 3.726 20 30 DHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)F)cc1C#N ZINC001201316133 1037605801 /nfs/dbraw/zinc/60/58/01/1037605801.db2.gz XTAVFVCHNIKRIN-UHFFFAOYSA-N -1 1 322.336 3.605 20 30 DHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)cc1C#N ZINC001201319725 1037606389 /nfs/dbraw/zinc/60/63/89/1037606389.db2.gz HGAFJHXTTBBXEZ-UHFFFAOYSA-N -1 1 312.394 3.545 20 30 DHEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000916241483 1037715265 /nfs/dbraw/zinc/71/52/65/1037715265.db2.gz DYTZJESPHFDIGV-UHFFFAOYSA-N -1 1 311.172 3.634 20 30 DHEDMM CCCCCCCCS(=O)(=O)[N-]c1cc(C)cc(F)n1 ZINC001188001538 1037776714 /nfs/dbraw/zinc/77/67/14/1037776714.db2.gz NCGUUNDILVENQL-UHFFFAOYSA-N -1 1 302.415 3.631 20 30 DHEDMM N#Cc1ccc([O-])c(Nc2ccc(C(F)(F)F)cc2C#N)c1 ZINC001201698144 1037843651 /nfs/dbraw/zinc/84/36/51/1037843651.db2.gz HVUILWROIAQKKT-UHFFFAOYSA-N -1 1 303.243 3.898 20 30 DHEDMM N#Cc1ccc(NC(=O)Nc2cccc(Cl)c2F)c([O-])c1 ZINC001188410483 1037901349 /nfs/dbraw/zinc/90/13/49/1037901349.db2.gz KWYFGNGCARPMSH-UHFFFAOYSA-N -1 1 305.696 3.700 20 30 DHEDMM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1ccoc1 ZINC000130468768 1037969315 /nfs/dbraw/zinc/96/93/15/1037969315.db2.gz FTBZJJWIFGXLEA-LBPRGKRZSA-N -1 1 323.135 3.548 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)N2CC[C@H]2c2ccc(Cl)cc2)c1 ZINC000587439218 1038104146 /nfs/dbraw/zinc/10/41/46/1038104146.db2.gz HNAYAFYDQRKTEZ-INIZCTEOSA-N -1 1 312.756 3.504 20 30 DHEDMM O=C(/C=C/c1cc(Cl)ccc1[N+](=O)[O-])c1cc(O)ccc1[O-] ZINC000156642281 1038173154 /nfs/dbraw/zinc/17/31/54/1038173154.db2.gz QVEUQODTAKWTNG-ORCRQEGFSA-N -1 1 319.700 3.556 20 30 DHEDMM C[C@@H](c1ccccc1)N(C(=O)c1cc([O-])cc(C#N)c1)C1CC1 ZINC000587996359 1038209501 /nfs/dbraw/zinc/20/95/01/1038209501.db2.gz PFIZHAKMPPDCBE-ZDUSSCGKSA-N -1 1 306.365 3.630 20 30 DHEDMM Cc1ccc([C@H](C)N(C)C(=O)c2cc([O-])cc(C#N)c2)c(C)c1 ZINC000589168097 1038438273 /nfs/dbraw/zinc/43/82/73/1038438273.db2.gz XWCKNCBPVPYLAB-AWEZNQCLSA-N -1 1 308.381 3.714 20 30 DHEDMM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589187340 1038444885 /nfs/dbraw/zinc/44/48/85/1038444885.db2.gz XPCBIBRASFQBKG-XIKOKIGWSA-N -1 1 324.355 3.626 20 30 DHEDMM CCCn1ccc2ccc(NC(=O)c3cc([O-])cc(C#N)c3)cc21 ZINC000589183969 1038445388 /nfs/dbraw/zinc/44/53/88/1038445388.db2.gz SQCGIBGGNAFRCI-UHFFFAOYSA-N -1 1 319.364 3.881 20 30 DHEDMM Cc1cccc(C2=CCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)c1 ZINC000589197504 1038446638 /nfs/dbraw/zinc/44/66/38/1038446638.db2.gz XGAWXLFIMSJJDT-UHFFFAOYSA-N -1 1 318.376 3.502 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)N[C@H](CC2CCC2)c2ccccc2)c1 ZINC000589197994 1038449643 /nfs/dbraw/zinc/44/96/43/1038449643.db2.gz JUHJZEWAROCXSC-LJQANCHMSA-N -1 1 320.392 3.925 20 30 DHEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000589438837 1038480404 /nfs/dbraw/zinc/48/04/04/1038480404.db2.gz FDKYGWYWTXZKPB-UHFFFAOYSA-N -1 1 321.373 3.581 20 30 DHEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1CCCc2ccccc21 ZINC000045571202 1038505066 /nfs/dbraw/zinc/50/50/66/1038505066.db2.gz BFWUDCLJGXJABT-SNVBAGLBSA-N -1 1 310.279 3.532 20 30 DHEDMM N#Cc1cc(NC(=O)Nc2ccc(OC(F)F)cc2)ccc1[O-] ZINC001192182312 1038604990 /nfs/dbraw/zinc/60/49/90/1038604990.db2.gz MVQCZAHCHZJCEE-UHFFFAOYSA-N -1 1 319.267 3.509 20 30 DHEDMM C=C(C)COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OC ZINC000057769991 1038730685 /nfs/dbraw/zinc/73/06/85/1038730685.db2.gz QTYFMLWOSPVQHA-QPEQYQDCSA-N -1 1 321.423 3.979 20 30 DHEDMM CC1(C)CCC[C@H]1[C@@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000592875376 1039298955 /nfs/dbraw/zinc/29/89/55/1039298955.db2.gz XATFCFRYTDJCOX-CVEARBPZSA-N -1 1 312.413 3.552 20 30 DHEDMM CCc1c(-c2cccc(C(F)(F)F)c2)[n-]n([C@@H](C)CC#N)c1=O ZINC000601934484 1040828369 /nfs/dbraw/zinc/82/83/69/1040828369.db2.gz BIVGXHFUCCKDJO-GWCFXTLKSA-N -1 1 323.318 3.580 20 30 DHEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)COC3)n1 ZINC000531091915 332256437 /nfs/dbraw/zinc/25/64/37/332256437.db2.gz JFUBNLSRYDGITE-CQSZACIVSA-N -1 1 312.394 3.787 20 30 DHEDMM N#Cc1cc(F)c(C(=O)[N-]c2cc(F)cc(F)c2F)c(F)c1 ZINC000319605861 333322563 /nfs/dbraw/zinc/32/25/63/333322563.db2.gz KYILQEHFHOLIMP-UHFFFAOYSA-N -1 1 312.197 3.506 20 30 DHEDMM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1ccc(C#N)c([O-])c1 ZINC000443103872 338444692 /nfs/dbraw/zinc/44/46/92/338444692.db2.gz CNRWIIQBGAZFPI-RYUDHWBXSA-N -1 1 324.355 3.551 20 30 DHEDMM N#Cc1ccc(C(=O)N[C@H](c2ccccc2)C2CCC2)cc1[O-] ZINC000188278281 334672159 /nfs/dbraw/zinc/67/21/59/334672159.db2.gz KXYYFXJCBNUKES-GOSISDBHSA-N -1 1 306.365 3.535 20 30 DHEDMM Cc1cscc1CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000331212712 334846287 /nfs/dbraw/zinc/84/62/87/334846287.db2.gz SLUWBJBOVGKFMA-UHFFFAOYSA-N -1 1 319.430 3.663 20 30 DHEDMM N#Cc1ccc(C(=O)NC2CCC(C(F)(F)F)CC2)cc1[O-] ZINC000331261895 334852580 /nfs/dbraw/zinc/85/25/80/334852580.db2.gz CKYIZBWGKVOIQM-UHFFFAOYSA-N -1 1 312.291 3.690 20 30 DHEDMM C=CCC[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000188953862 334879251 /nfs/dbraw/zinc/87/92/51/334879251.db2.gz URNNROYPQPZAIK-KRWDZBQOSA-N -1 1 306.365 3.701 20 30 DHEDMM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000190064256 334920815 /nfs/dbraw/zinc/92/08/15/334920815.db2.gz VPHOXTIOPMHVNW-LBPRGKRZSA-N -1 1 320.348 3.843 20 30 DHEDMM Cc1cc(C(C#N)=C([O-])c2coc3cc(C)c(C)cc32)nc(C)n1 ZINC000352309045 336211470 /nfs/dbraw/zinc/21/14/70/336211470.db2.gz OURVNHCHVNOQQY-HNNXBMFYSA-N -1 1 319.364 3.947 20 30 DHEDMM CCSc1cccc(F)c1[N-]C(=O)c1cc(C#N)oc1C ZINC000362186043 336787137 /nfs/dbraw/zinc/78/71/37/336787137.db2.gz NEVGGUPNVMUICZ-UHFFFAOYSA-N -1 1 304.346 3.963 20 30 DHEDMM N#Cc1ccc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)c(F)c1 ZINC000372736857 336938488 /nfs/dbraw/zinc/93/84/88/336938488.db2.gz FBDSVBLUEWCIFD-UHFFFAOYSA-N -1 1 324.355 3.502 20 30 DHEDMM CSc1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)cc1 ZINC000122234570 336999939 /nfs/dbraw/zinc/99/99/39/336999939.db2.gz YIYQUHQVTWANJW-AWEZNQCLSA-N -1 1 321.405 3.785 20 30 DHEDMM CC(=Cc1ccc(Cl)cc1Cl)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000193614017 337078499 /nfs/dbraw/zinc/07/84/99/337078499.db2.gz WZYQERZVMBSYLR-YVMONPNESA-N -1 1 320.179 3.817 20 30 DHEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccc(Cl)s1 ZINC000037865928 337368375 /nfs/dbraw/zinc/36/83/75/337368375.db2.gz JBVFVPXVWBINAQ-VIFPVBQESA-N -1 1 315.785 3.778 20 30 DHEDMM CCOc1ccc(C#N)cc1NC(=O)c1cc([O-])ccc1Cl ZINC000432883183 338171757 /nfs/dbraw/zinc/17/17/57/338171757.db2.gz HNWVAVAKKFAARN-UHFFFAOYSA-N -1 1 316.744 3.568 20 30 DHEDMM Cc1c(C#N)cccc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436871884 338291039 /nfs/dbraw/zinc/29/10/39/338291039.db2.gz LNPDNAZONTUIMV-UHFFFAOYSA-N -1 1 311.728 3.943 20 30 DHEDMM CCCCOc1ccc(C(=O)Nc2ccc(CC#N)cc2)c([O-])c1 ZINC000436974364 338296428 /nfs/dbraw/zinc/29/64/28/338296428.db2.gz YGDFDRGDUZRLGK-UHFFFAOYSA-N -1 1 324.380 3.889 20 30 DHEDMM CCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442869688 338436627 /nfs/dbraw/zinc/43/66/27/338436627.db2.gz JIZKXTLTTKLDAZ-UHFFFAOYSA-N -1 1 314.772 3.580 20 30 DHEDMM COc1ccc(C#N)cc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000486914558 339738011 /nfs/dbraw/zinc/73/80/11/339738011.db2.gz QAUFPYUTNORANR-UHFFFAOYSA-N -1 1 317.732 3.570 20 30 DHEDMM CC[C@@H]1C[C@@]1(NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(C)c1 ZINC000506177915 340187716 /nfs/dbraw/zinc/18/77/16/340187716.db2.gz SJVYCAGZGQJVPH-UZLBHIALSA-N -1 1 320.392 3.628 20 30 DHEDMM C=CCCCN(C)Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000652421421 600262948 /nfs/dbraw/zinc/26/29/48/600262948.db2.gz UEWSNUCXZWKDRO-UHFFFAOYSA-N -1 1 316.426 3.906 20 30 DHEDMM C[C@@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1Cl ZINC000736660697 600562395 /nfs/dbraw/zinc/56/23/95/600562395.db2.gz AGOZPLPBBAZZFR-BZNIZROVSA-N -1 1 314.772 3.688 20 30 DHEDMM CCn1c(C)cc(CN=Nc2ccc(Cl)c(C(=O)[O-])c2)c1C ZINC000728225384 1013187509 /nfs/dbraw/zinc/18/75/09/1013187509.db2.gz PRQJSQGJDRAKGC-UHFFFAOYSA-N -1 1 319.792 3.922 20 30 DHEDMM C=CCCCCCN(C)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001573365367 963053725 /nfs/dbraw/zinc/05/37/25/963053725.db2.gz FUNIDHRXTRRXBN-CQSZACIVSA-N -1 1 320.433 3.579 20 30 DHEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cccc(C#N)c2)s1 ZINC000430631856 1013670816 /nfs/dbraw/zinc/67/08/16/1013670816.db2.gz VSPYWLPWEIDEHY-ZDUSSCGKSA-N -1 1 309.394 3.802 20 30 DHEDMM Cc1cc(C(C#N)=C([O-])c2ccc(C(C)(C)C)s2)nc(C)n1 ZINC000331066218 1013855186 /nfs/dbraw/zinc/85/51/86/1013855186.db2.gz FZMQZLOCEUVPNS-LBPRGKRZSA-N -1 1 313.426 3.943 20 30 DHEDMM CCc1cc(C#N)c([N-]C(=O)c2c(C)noc2C(F)F)s1 ZINC000610431356 1014090987 /nfs/dbraw/zinc/09/09/87/1014090987.db2.gz GVPHYQYMXLOKFZ-UHFFFAOYSA-N -1 1 311.313 3.669 20 30 DHEDMM N#CCCCOc1cccc(/C=C\C(=O)c2cc(O)ccc2[O-])c1 ZINC000255193836 1014085326 /nfs/dbraw/zinc/08/53/26/1014085326.db2.gz KKQVDCHDKHBHAK-VURMDHGXSA-N -1 1 323.348 3.676 20 30 DHEDMM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1ccc(C#N)c([O-])c1 ZINC000442859882 1014749714 /nfs/dbraw/zinc/74/97/14/1014749714.db2.gz XUDBMWPPUNLSHL-OAHLLOKOSA-N -1 1 324.380 3.609 20 30 DHEDMM C=C[C@H](N[C@H](c1c(Cl)cccc1Cl)C1CC1)C(=O)[O-] ZINC001588695771 983901814 /nfs/dbraw/zinc/90/18/14/983901814.db2.gz KYDVJNUUOGSFNA-AAEUAGOBSA-N -1 1 300.185 3.673 20 30 DHEDMM C[C@@H](c1cccc(C#N)c1)N(C)Cc1cc(C(=O)[O-])ccc1F ZINC001593698397 996163916 /nfs/dbraw/zinc/16/39/16/996163916.db2.gz IURXTHJHPXDSQN-LBPRGKRZSA-N -1 1 312.344 3.589 20 30 DHEDMM O=C1c2ccc([O-])cc2C/C1=C/c1ccc(OCC(F)F)cc1 ZINC000588535301 1017055589 /nfs/dbraw/zinc/05/55/89/1017055589.db2.gz ZWCOTMKWKATPJK-QPEQYQDCSA-N -1 1 316.303 3.859 20 30 DHEDMM COc1cc(/C=C2/Oc3cc(F)ccc3C2=O)cc(Cl)c1[O-] ZINC000773174484 1032599515 /nfs/dbraw/zinc/59/95/15/1032599515.db2.gz WFKDDYLSOGWCDX-MKMNVTDBSA-N -1 1 320.703 3.810 20 30 DHEDMM Cc1csc(C(C#N)=C([O-])c2ccc(-c3cnco3)cc2)n1 ZINC000342851039 1017585679 /nfs/dbraw/zinc/58/56/79/1017585679.db2.gz ZZTFMTXJESSTJP-CYBMUJFWSA-N -1 1 309.350 3.597 20 30 DHEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccnn2C(C)C)n1 ZINC000155813931 1018358249 /nfs/dbraw/zinc/35/82/49/1018358249.db2.gz ZUKLQZDCJZJIKI-NSHDSACASA-N -1 1 302.403 3.534 20 30 DHEDMM C=CCCCCCSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000447296222 1018366649 /nfs/dbraw/zinc/36/66/49/1018366649.db2.gz OZAKSAZTYVEGSH-UHFFFAOYSA-N -1 1 308.447 3.903 20 30 DHEDMM C=CCCCS(=O)(=O)[N-]c1ccc2cccc(Cl)c2n1 ZINC000427746757 1018596775 /nfs/dbraw/zinc/59/67/75/1018596775.db2.gz IYCIVKVYJFMTSW-UHFFFAOYSA-N -1 1 310.806 3.596 20 30 DHEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000780383066 1019768818 /nfs/dbraw/zinc/76/88/18/1019768818.db2.gz NMFRJYYATNQZNH-UHFFFAOYSA-N -1 1 322.336 3.605 20 30 DHEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1cc(F)c(F)c(F)c1)O2 ZINC000727975432 1019852279 /nfs/dbraw/zinc/85/22/79/1019852279.db2.gz UBZHAVXNXYPOAJ-ACAGNQJTSA-N -1 1 306.239 3.734 20 30 DHEDMM [O-]c1ccc(C=NNc2cc(F)c(F)cc2F)cc1Cl ZINC000734302496 1020583165 /nfs/dbraw/zinc/58/31/65/1020583165.db2.gz GOVZPLHCLPQZEQ-UHFFFAOYSA-N -1 1 300.667 3.909 20 30 DHEDMM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188575946 1020592280 /nfs/dbraw/zinc/59/22/80/1020592280.db2.gz XMHAXPURRYOKSB-SFHVURJKSA-N -1 1 322.408 3.666 20 30 DHEDMM O=C1c2ccccc2O/C1=C/c1ccc([O-])c(Br)c1 ZINC000742436882 1021124806 /nfs/dbraw/zinc/12/48/06/1021124806.db2.gz OYTJUFVFFWZLPX-RIYZIHGNSA-N -1 1 317.138 3.771 20 30 DHEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc3[nH]cnc3c2)n1 ZINC000892801983 1021629577 /nfs/dbraw/zinc/62/95/77/1021629577.db2.gz KFOYZCPQRJWTSX-NSHDSACASA-N -1 1 310.382 3.633 20 30 DHEDMM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000620304207 1022125885 /nfs/dbraw/zinc/12/58/85/1022125885.db2.gz SROGGYSCEKGOQH-TXEJJXNPSA-N -1 1 311.303 3.734 20 30 DHEDMM N#Cc1cnc(Nc2ccc(Cl)c([O-])c2)c(Br)c1 ZINC001212588157 1022351298 /nfs/dbraw/zinc/35/12/98/1022351298.db2.gz HNJAXTXMDAHHMX-UHFFFAOYSA-N -1 1 324.565 3.818 20 30 DHEDMM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000617038245 1022834863 /nfs/dbraw/zinc/83/48/63/1022834863.db2.gz VQNPOZPCODANBN-BXUZGUMPSA-N -1 1 323.820 3.919 20 30 DHEDMM CC(=NNc1cnnc2ccccc21)c1ccc([O-])c(Cl)c1 ZINC000768776708 1023027553 /nfs/dbraw/zinc/02/75/53/1023027553.db2.gz JNAMZNBWPIGXFR-UHFFFAOYSA-N -1 1 312.760 3.825 20 30 DHEDMM CC(=NNc1ccc2n[nH]cc2c1)c1ccc([O-])c(Cl)c1 ZINC000768784348 1023028185 /nfs/dbraw/zinc/02/81/85/1023028185.db2.gz QAKFTGCOWUNEDB-UHFFFAOYSA-N -1 1 300.749 3.758 20 30 DHEDMM O=C(/C=C\c1ccc(OCC2CC2)cc1)c1cc(O)ccc1[O-] ZINC000790222929 1024255041 /nfs/dbraw/zinc/25/50/41/1024255041.db2.gz YTGVJTZDVVIHRR-UITAMQMPSA-N -1 1 310.349 3.783 20 30 DHEDMM CC(C)(C)c1cnc(/C=C\C(=O)c2cc(O)ccc2[O-])s1 ZINC000790601711 1024334804 /nfs/dbraw/zinc/33/48/04/1024334804.db2.gz XENPKRQNZORXLL-SREVYHEPSA-N -1 1 303.383 3.748 20 30 DHEDMM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632545113 1024791710 /nfs/dbraw/zinc/79/17/10/1024791710.db2.gz VWRJBBFOUJRKML-QWRGUYRKSA-N -1 1 319.373 3.630 20 30 DHEDMM N#C[C@@]1(C(=O)Nc2cc(F)c([O-])cc2Cl)CC12CCCC2 ZINC000885678276 1025380128 /nfs/dbraw/zinc/38/01/28/1025380128.db2.gz LPPVPZXJJJFDKB-OAHLLOKOSA-N -1 1 308.740 3.597 20 30 DHEDMM Cc1csc(C(C#N)=C([O-])c2cccc(OC(F)F)c2)n1 ZINC000041520156 1025409111 /nfs/dbraw/zinc/40/91/11/1025409111.db2.gz HEBFOTACGMMJQJ-NSHDSACASA-N -1 1 308.309 3.543 20 30 DHEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1cccc(-n3cccn3)c1)O2 ZINC000760264389 1025465406 /nfs/dbraw/zinc/46/54/06/1025465406.db2.gz RUSYFUZIULFGIK-LICLKQGHSA-N -1 1 318.332 3.503 20 30 DHEDMM CNc1ccc(C#N)cc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000355625401 1025791349 /nfs/dbraw/zinc/79/13/49/1025791349.db2.gz HJRYHIRODNPFDI-UHFFFAOYSA-N -1 1 317.348 3.711 20 30 DHEDMM CC1(C)Cc2cc(CN=Nc3ccccc3C(=O)[O-])ccc2O1 ZINC000729143846 1026380726 /nfs/dbraw/zinc/38/07/26/1026380726.db2.gz SWVUULJCPLPCFP-UHFFFAOYSA-N -1 1 310.353 3.544 20 30 DHEDMM CC(N=Nc1ccccc1C(=O)[O-])c1nc2ccccc2s1 ZINC000812446299 1027284416 /nfs/dbraw/zinc/28/44/16/1027284416.db2.gz WXTLWKYYVWYWER-UHFFFAOYSA-N -1 1 311.366 3.831 20 30 DHEDMM N#Cc1ccc2c(c1)N(C(=O)c1cc([O-])c3ccccc3c1)CC2 ZINC000527474821 1027721949 /nfs/dbraw/zinc/72/19/49/1027721949.db2.gz NAACYGPNYHFVDS-UHFFFAOYSA-N -1 1 314.344 3.620 20 30 DHEDMM CCc1nc(S[C@@H](C#N)CCc2ccccc2)[n-]c(=O)c1C ZINC000601084146 1027978429 /nfs/dbraw/zinc/97/84/29/1027978429.db2.gz VPIQJGJQVAJVJY-CQSZACIVSA-N -1 1 313.426 3.670 20 30 DHEDMM Oc1cccc(C=NNc2cccc(C(F)(F)F)n2)c1Cl ZINC000814853136 1028247705 /nfs/dbraw/zinc/24/77/05/1028247705.db2.gz DIYMZQMUGWJBJN-UHFFFAOYSA-N -1 1 315.682 3.905 20 30 DHEDMM [O-]c1cccc(CN=Nc2cccc(C(F)(F)F)n2)c1Cl ZINC000814853136 1028247712 /nfs/dbraw/zinc/24/77/12/1028247712.db2.gz DIYMZQMUGWJBJN-UHFFFAOYSA-N -1 1 315.682 3.905 20 30 DHEDMM [O-]c1cccc(C=NNc2cccc(C(F)(F)F)n2)c1Cl ZINC000814853136 1028247726 /nfs/dbraw/zinc/24/77/26/1028247726.db2.gz DIYMZQMUGWJBJN-UHFFFAOYSA-N -1 1 315.682 3.905 20 30 DHEDMM COC(=O)c1cc(NN=Cc2cccc([O-])c2Cl)ccc1C ZINC000814938120 1028294798 /nfs/dbraw/zinc/29/47/98/1028294798.db2.gz WHDRMALWBDXMCB-UHFFFAOYSA-N -1 1 318.760 3.587 20 30 DHEDMM CC(C)=C[C@@H]1[C@H](C(=O)Nc2n[n-]c(C(F)(F)F)n2)C1(C)C ZINC000043997181 1029303494 /nfs/dbraw/zinc/30/34/94/1029303494.db2.gz BFZOIYYXQCVDSD-HTQZYQBOSA-N -1 1 302.300 3.650 20 30 DHEDMM N#CC1(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)CCC1 ZINC000529539776 1029380579 /nfs/dbraw/zinc/38/05/79/1029380579.db2.gz UDQXHCBUPCODCA-UHFFFAOYSA-N -1 1 300.745 3.831 20 30 DHEDMM C=C[C@@H](CC(=O)n1[n-]c(=O)c2ccc(OC)cc21)c1ccccc1 ZINC000819951847 1029632268 /nfs/dbraw/zinc/63/22/68/1029632268.db2.gz VQTRFQIWWBCIFR-ZDUSSCGKSA-N -1 1 322.364 3.751 20 30 DHEDMM CC1(C)CC[C@H](NC(=O)c2ccc(C#N)c([O-])c2)c2ccccc21 ZINC001136447616 1029841882 /nfs/dbraw/zinc/84/18/82/1029841882.db2.gz BURHFGXXYBEOEV-KRWDZBQOSA-N -1 1 320.392 3.806 20 30 DHEDMM C[C@@H](Nc1ccc(O[C@@H]2CCOC2)cc1)c1cccc(C#N)c1[O-] ZINC000866322457 1030231053 /nfs/dbraw/zinc/23/10/53/1030231053.db2.gz VWLPDFKFGWRESF-CXAGYDPISA-N -1 1 324.380 3.605 20 30 DHEDMM Cc1ccccc1-n1nccc1/C=C\C(=O)c1ccc([O-])cc1 ZINC000794925874 1030331591 /nfs/dbraw/zinc/33/15/91/1030331591.db2.gz FRZGOPXGCVVVQP-FLIBITNWSA-N -1 1 304.349 3.782 20 30 DHEDMM COCc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000080451021 1031364938 /nfs/dbraw/zinc/36/49/38/1031364938.db2.gz ARNLBBIKIWRCHE-CQSZACIVSA-N -1 1 314.410 3.903 20 30 DHEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(CC#N)c2)n1 ZINC000080456824 1031369522 /nfs/dbraw/zinc/36/95/22/1031369522.db2.gz VLRUQRUDLHIQME-AWEZNQCLSA-N -1 1 309.394 3.823 20 30 DHEDMM C=C(C)CO[N-]C(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC001144640396 1031774872 /nfs/dbraw/zinc/77/48/72/1031774872.db2.gz UWIRUSBXTXHNEH-HNNXBMFYSA-N -1 1 323.392 3.645 20 30 DHEDMM C=CCOC(=O)c1ccccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176670330 1035310119 /nfs/dbraw/zinc/31/01/19/1035310119.db2.gz DUACBAPXEQVUPJ-UHFFFAOYSA-N -1 1 323.270 3.896 20 30 DHEDMM N#Cc1ccc(NC(=O)/C=C/c2cc3ccccc3o2)c([O-])c1 ZINC001178757167 1035446417 /nfs/dbraw/zinc/44/64/17/1035446417.db2.gz NTPZBTDKYKOLCW-SOFGYWHQSA-N -1 1 304.305 3.662 20 30 DHEDMM N#Cc1ccc(C(=O)N[C@@H](c2ccccc2)C2CCCC2)cc1[O-] ZINC000442730637 1035550825 /nfs/dbraw/zinc/55/08/25/1035550825.db2.gz OQWDQSCBALTVLB-IBGZPJMESA-N -1 1 320.392 3.925 20 30 DHEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Cl)c(-c2ccccc2)c1 ZINC001193161590 1035580134 /nfs/dbraw/zinc/58/01/34/1035580134.db2.gz RXXPGCRRQHRVBC-NSHDSACASA-N -1 1 320.801 3.661 20 30 DHEDMM Cc1cn(CCC(=O)Nc2ccc(C#N)cc2[O-])c2ccccc12 ZINC001181210708 1035867360 /nfs/dbraw/zinc/86/73/60/1035867360.db2.gz LUCORZKIOWQREB-UHFFFAOYSA-N -1 1 319.364 3.556 20 30 DHEDMM N#Cc1ccc(NC(=O)c2sccc2C(F)(F)F)c([O-])c1 ZINC001195218529 1036185812 /nfs/dbraw/zinc/18/58/12/1036185812.db2.gz RRNFJBLBHIEJAB-UHFFFAOYSA-N -1 1 312.272 3.596 20 30 DHEDMM N#Cc1ccccc1NC(=S)Nc1ccc([O-])c(Cl)c1 ZINC001196322129 1036499425 /nfs/dbraw/zinc/49/94/25/1036499425.db2.gz BKBLLIYLZPNTAV-UHFFFAOYSA-N -1 1 303.774 3.726 20 30 DHEDMM CCn1cc(C=NNc2ccccc2C(=O)[O-])c2ccccc21 ZINC000915048258 1036576410 /nfs/dbraw/zinc/57/64/10/1036576410.db2.gz BFPDFUQYTFOAAM-UHFFFAOYSA-N -1 1 307.353 3.805 20 30 DHEDMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc([C@@H](C)C#N)cc1 ZINC001185824835 1037252406 /nfs/dbraw/zinc/25/24/06/1037252406.db2.gz TVBOUDOYLTUSTC-NSHDSACASA-N -1 1 318.373 3.562 20 30 DHEDMM C#CCOc1ccc(/C=C\C(=O)c2ccc([O-])cc2)cc1OCC ZINC000111690924 1037493256 /nfs/dbraw/zinc/49/32/56/1037493256.db2.gz LRTFGGUOVPMVKC-WZUFQYTHSA-N -1 1 322.360 3.699 20 30 DHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)C)cc1C#N ZINC001201287410 1037585649 /nfs/dbraw/zinc/58/56/49/1037585649.db2.gz JGQJBEVZNAFQAT-UHFFFAOYSA-N -1 1 314.410 3.791 20 30 DHEDMM CCC(=NNc1ccc(C(=O)[O-])cc1)c1ccc2c(c1)CCO2 ZINC000915932856 1037616725 /nfs/dbraw/zinc/61/67/25/1037616725.db2.gz BEKICYNXETXLCL-UHFFFAOYSA-N -1 1 310.353 3.546 20 30 DHEDMM CCCCCCCCS(=O)(=O)[N-]c1ccc(C#N)s1 ZINC001188001433 1037778163 /nfs/dbraw/zinc/77/81/63/1037778163.db2.gz KWHYSLPQMBOVOD-UHFFFAOYSA-N -1 1 300.449 3.722 20 30 DHEDMM CCCCCCCCCCS(=O)(=O)[N-]c1ncn(C)c1C ZINC001201834665 1037914618 /nfs/dbraw/zinc/91/46/18/1037914618.db2.gz RVOSOJGZUPLHPZ-UHFFFAOYSA-N -1 1 315.483 3.611 20 30 DHEDMM Cc1ccc(Cl)cc1NC(=O)Nc1scc([O-])c1C#N ZINC001188701688 1037960264 /nfs/dbraw/zinc/96/02/64/1037960264.db2.gz DLEKQZQLHUDRRJ-UHFFFAOYSA-N -1 1 307.762 3.931 20 30 DHEDMM N#Cc1sccc1[N-]C(=O)c1cc(-c2cccs2)on1 ZINC001189183199 1038084795 /nfs/dbraw/zinc/08/47/95/1038084795.db2.gz IAVOXBNOKGHSJC-UHFFFAOYSA-N -1 1 301.352 3.589 20 30 DHEDMM N#Cc1sccc1[N-]C(=O)c1nc(-c2ccccc2)cs1 ZINC001191040548 1038435202 /nfs/dbraw/zinc/43/52/02/1038435202.db2.gz XLFGPMAEOWQTBB-UHFFFAOYSA-N -1 1 311.391 3.996 20 30 DHEDMM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589187001 1038444966 /nfs/dbraw/zinc/44/49/66/1038444966.db2.gz OUEIBTJXFRCRCN-KPZWWZAWSA-N -1 1 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CC(N=Nc1ncnc2ccsc21)c1ccc([O-])c(Cl)c1 ZINC000768784162 1023029388 /nfs/dbraw/zinc/02/93/88/1023029388.db2.gz MMCUNPLPRXIKKE-UHFFFAOYSA-N -1 1 318.789 3.886 20 30 DHEDMM N#CCC[C@@H](NC(=O)c1c([O-])cccc1Cl)c1ccccc1 ZINC000770086148 1023273352 /nfs/dbraw/zinc/27/33/52/1023273352.db2.gz BLSVVNJWMOJTKH-CQSZACIVSA-N -1 1 314.772 3.820 20 30 DHEDMM O=C1c2ccc([O-])cc2O/C1=C\c1cnc(-c2ccco2)s1 ZINC000788096360 1023850777 /nfs/dbraw/zinc/85/07/77/1023850777.db2.gz BEBQUWJRYYAONG-AUWJEWJLSA-N -1 1 311.318 3.725 20 30 DHEDMM C=CC(C)(C)CCNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001167787031 1023890150 /nfs/dbraw/zinc/89/01/50/1023890150.db2.gz ARZVRRKKGSHPRH-UHFFFAOYSA-N -1 1 301.308 3.743 20 30 DHEDMM O=C1c2ccc([O-])cc2C/C1=C\c1cnc(-c2ccco2)s1 ZINC000789148512 1024006367 /nfs/dbraw/zinc/00/63/67/1024006367.db2.gz QOTOISAFTNQSBJ-DHZHZOJOSA-N -1 1 309.346 3.931 20 30 DHEDMM CCc1nc2ccccc2n1N=Cc1c([O-])ccc(Cl)c1F ZINC000790155629 1024232934 /nfs/dbraw/zinc/23/29/34/1024232934.db2.gz OEFKJAZXBIDWBD-UHFFFAOYSA-N -1 1 317.751 3.979 20 30 DHEDMM CCC(=O)N(C)c1ccc(N[C@H](C)c2cccc(C#N)c2[O-])cc1 ZINC000883314283 1024364945 /nfs/dbraw/zinc/36/49/45/1024364945.db2.gz AHOSSCACCNTCJG-CYBMUJFWSA-N -1 1 323.396 3.810 20 30 DHEDMM CCc1c(C)sc([N-]C(=O)c2nc(Cl)cs2)c1C#N ZINC000790903517 1024399372 /nfs/dbraw/zinc/39/93/72/1024399372.db2.gz IUZFOHCAHNLWAK-UHFFFAOYSA-N -1 1 311.819 3.853 20 30 DHEDMM N#CC(=C([O-])C=C(C1CC1)C1CC1)c1cnc2ccccc2n1 ZINC000792113413 1024627775 /nfs/dbraw/zinc/62/77/75/1024627775.db2.gz HNPHVDSEQXPDJN-OAHLLOKOSA-N -1 1 303.365 3.552 20 30 DHEDMM CCC1CCC(N(C(=O)c2ccc(C#N)c([O-])c2)C2CC2)CC1 ZINC000190993399 1024731011 /nfs/dbraw/zinc/73/10/11/1024731011.db2.gz LETPECGIMUESHN-UHFFFAOYSA-N -1 1 312.413 3.837 20 30 DHEDMM C=CCCOCCCCC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885676345 1025377477 /nfs/dbraw/zinc/37/74/77/1025377477.db2.gz NPIHNCWGCKBJFH-UHFFFAOYSA-N -1 1 315.772 3.886 20 30 DHEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1cnc(Cl)c(C)c1)O2 ZINC000760263672 1025381214 /nfs/dbraw/zinc/38/12/14/1025381214.db2.gz OZCZYWREZJTWPE-WLRTZDKTSA-N -1 1 301.729 3.674 20 30 DHEDMM Cc1csc(C(C#N)=C([O-])c2ccc(COC(C)C)cc2)n1 ZINC000041517746 1025408790 /nfs/dbraw/zinc/40/87/90/1025408790.db2.gz MASZIMHYKCJDCQ-HNNXBMFYSA-N -1 1 314.410 3.867 20 30 DHEDMM N#CCc1cccc(C(=O)Nc2cc(F)c([O-])cc2Cl)c1 ZINC001157893307 1025482961 /nfs/dbraw/zinc/48/29/61/1025482961.db2.gz GIHSTKDMIMTEKC-UHFFFAOYSA-N -1 1 304.708 3.503 20 30 DHEDMM CC(=O)c1csc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)c1 ZINC000355240700 1025652149 /nfs/dbraw/zinc/65/21/49/1025652149.db2.gz UMQPMJNWLALCRU-GFCCVEGCSA-N -1 1 323.377 3.626 20 30 DHEDMM CCCCCc1nnc([N-]C(=O)c2sccc2C#N)s1 ZINC000052028350 1025788398 /nfs/dbraw/zinc/78/83/98/1025788398.db2.gz RNIKQDIWQUDCCI-UHFFFAOYSA-N -1 1 306.416 3.840 20 30 DHEDMM Cc1nn(C)c2sc(C(=O)/C=C/c3ccc([O-])c(F)c3)cc12 ZINC000806579017 1025912492 /nfs/dbraw/zinc/91/24/92/1025912492.db2.gz RVWZYUUHHVOPPP-GQCTYLIASA-N -1 1 316.357 3.684 20 30 DHEDMM O=C1c2ccc([O-])cc2CC/C1=C\c1ccc(C(F)(F)F)[nH]1 ZINC000806567514 1025926190 /nfs/dbraw/zinc/92/61/90/1025926190.db2.gz XXEZMHGJSYVSHT-JXMROGBWSA-N -1 1 307.271 3.952 20 30 DHEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1cc2ccccc2o1 ZINC000614293141 1026044176 /nfs/dbraw/zinc/04/41/76/1026044176.db2.gz YRWCAPPIUUKBKR-NSHDSACASA-N -1 1 306.321 3.501 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@H]2CC2CCCCC2)c1 ZINC000614297875 1026051771 /nfs/dbraw/zinc/05/17/71/1026051771.db2.gz FDMLBZPAKCEHST-QGZVFWFLSA-N -1 1 312.413 3.839 20 30 DHEDMM C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614295589 1026056134 /nfs/dbraw/zinc/05/61/34/1026056134.db2.gz SYMUTFBYDRGLGW-GFCCVEGCSA-N -1 1 320.348 3.843 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)N[C@H](c2ccccc2)C2CCC2)c1 ZINC000614299393 1026056636 /nfs/dbraw/zinc/05/66/36/1026056636.db2.gz RISNKTZDBDJUBA-GOSISDBHSA-N -1 1 306.365 3.535 20 30 DHEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cc2cccc(F)c2o1 ZINC000356611050 1026102287 /nfs/dbraw/zinc/10/22/87/1026102287.db2.gz PZYXZGUGMPDOKL-SNVBAGLBSA-N -1 1 324.311 3.640 20 30 DHEDMM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614361668 1026253309 /nfs/dbraw/zinc/25/33/09/1026253309.db2.gz LXLLRPGQASBWLL-HZPDHXFCSA-N -1 1 300.402 3.599 20 30 DHEDMM Cc1ccc(-c2n[nH]cc2C=C2Oc3cc([O-])ccc3C2=O)cc1 ZINC000810237388 1026725943 /nfs/dbraw/zinc/72/59/43/1026725943.db2.gz HNDDIJDDIKHCSN-CAOOACKPSA-N -1 1 318.332 3.707 20 30 DHEDMM COc1ccc(Cl)cc1C(C)N=Nc1ccccc1C(=O)[O-] ZINC000812446182 1027281495 /nfs/dbraw/zinc/28/14/95/1027281495.db2.gz QWNRJVKIMPQERK-UHFFFAOYSA-N -1 1 318.760 3.883 20 30 DHEDMM COc1ccc2cc(CN=Nc3ccccc3C(=O)[O-])ccc2c1 ZINC000812445156 1027284271 /nfs/dbraw/zinc/28/42/71/1027284271.db2.gz SCJLQAYJUVVEPT-UHFFFAOYSA-N -1 1 320.348 3.993 20 30 DHEDMM CCCc1nc(C)c(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)o1 ZINC000562383287 1027401504 /nfs/dbraw/zinc/40/15/04/1027401504.db2.gz YYNYXRLGQOYMCG-LBPRGKRZSA-N -1 1 322.368 3.610 20 30 DHEDMM N#Cc1ccc(-c2cc(F)ccc2OC[C@H]2CCCO2)c([O-])c1 ZINC000600778903 1027825351 /nfs/dbraw/zinc/82/53/51/1027825351.db2.gz JKSVINQTOZWVNH-CQSZACIVSA-N -1 1 313.328 3.628 20 30 DHEDMM C[C@@](C#N)(NC(=O)Cc1ccc([O-])c(Cl)c1)C1CCCCC1 ZINC000601179938 1028014397 /nfs/dbraw/zinc/01/43/97/1028014397.db2.gz GRDYMGBCKIGDBJ-KRWDZBQOSA-N -1 1 320.820 3.567 20 30 DHEDMM CC(=NN=c1cccc[nH]1)c1oc2cc(C)ccc2c1CC(=O)[O-] ZINC000814731704 1028176288 /nfs/dbraw/zinc/17/62/88/1028176288.db2.gz GTRYTCCWGVJEAN-UHFFFAOYSA-N -1 1 323.352 3.599 20 30 DHEDMM [O-]c1cccc(CN=Nc2ncccc2C(F)(F)F)c1Cl ZINC000814801496 1028212889 /nfs/dbraw/zinc/21/28/89/1028212889.db2.gz LKNAZDODXIQFBU-UHFFFAOYSA-N -1 1 315.682 3.905 20 30 DHEDMM N#CCc1ccc(NCc2cccc(Br)c2[O-])cc1 ZINC000048796344 1028250305 /nfs/dbraw/zinc/25/03/05/1028250305.db2.gz GJMGXFBUACBFCP-UHFFFAOYSA-N -1 1 317.186 3.833 20 30 DHEDMM N#CCOc1cc(F)ccc1NCc1cc(Cl)c(F)cc1[O-] ZINC000816565192 1028944203 /nfs/dbraw/zinc/94/42/03/1028944203.db2.gz FPYHNCAPJPZZBK-UHFFFAOYSA-N 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/nfs/dbraw/zinc/42/57/91/1030425791.db2.gz DNQNTQDZBLYNHJ-XYOKQWHBSA-N -1 1 311.287 3.755 20 30 DHEDMM O=C1c2ccc([O-])cc2C/C1=C/c1ccnn1-c1ccc(F)cc1 ZINC000794946158 1030431533 /nfs/dbraw/zinc/43/15/33/1030431533.db2.gz SZOYCUSXXYBQCK-RAXLEYEMSA-N -1 1 320.323 3.539 20 30 DHEDMM O=C1c2ccc([O-])cc2C/C1=C\c1ccnn1-c1ccc(F)cc1 ZINC000794946156 1030431634 /nfs/dbraw/zinc/43/16/34/1030431634.db2.gz SZOYCUSXXYBQCK-JLHYYAGUSA-N -1 1 320.323 3.539 20 30 DHEDMM C=CCCC1(C(=O)Nc2nc(-c3cc4ccccc4o3)n[nH]2)CC1 ZINC000360295659 1031363696 /nfs/dbraw/zinc/36/36/96/1031363696.db2.gz VOBJASROBJMUQA-UHFFFAOYSA-N -1 1 322.368 3.903 20 30 DHEDMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccccc1CC#N ZINC000193357803 1031727966 /nfs/dbraw/zinc/72/79/66/1031727966.db2.gz YMFOHGOAOQIWEK-UHFFFAOYSA-N -1 1 320.801 3.515 20 30 DHEDMM O=C(c1ocnc1C(F)F)N([O-])Cc1cccc2ccccc21 ZINC000901371126 1035134994 /nfs/dbraw/zinc/13/49/94/1035134994.db2.gz MWQKPFFRDXQMRY-UHFFFAOYSA-N -1 1 318.279 3.797 20 30 DHEDMM N#Cc1ccc(NC(=O)CCCCc2cccs2)c([O-])c1 ZINC001177488816 1035373171 /nfs/dbraw/zinc/37/31/71/1035373171.db2.gz KBTHIDVYIVCBIN-UHFFFAOYSA-N -1 1 300.383 3.677 20 30 DHEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1-c1ccc(Cl)cc1 ZINC001193148746 1035576915 /nfs/dbraw/zinc/57/69/15/1035576915.db2.gz DEUNCJSXKNHTLI-NSHDSACASA-N -1 1 320.801 3.661 20 30 DHEDMM Cc1cc(F)cc(C(=O)Nc2ccc(C#N)cc2[O-])c1Cl ZINC001193311986 1035600004 /nfs/dbraw/zinc/60/00/04/1035600004.db2.gz TXJOJWXYDWNAIR-UHFFFAOYSA-N -1 1 304.708 3.617 20 30 DHEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)c2ccccc12 ZINC001193824579 1035746742 /nfs/dbraw/zinc/74/67/42/1035746742.db2.gz KPJKSNSNULOOAM-UHFFFAOYSA-N -1 1 322.389 3.821 20 30 DHEDMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)cc1 ZINC000032081532 1036112073 /nfs/dbraw/zinc/11/20/73/1036112073.db2.gz JCUZZNIRGASDKS-UHFFFAOYSA-N -1 1 314.410 3.558 20 30 DHEDMM Cc1cc(C#N)cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1 ZINC001195169296 1036167922 /nfs/dbraw/zinc/16/79/22/1036167922.db2.gz MEJXPCJKDHDVGD-UHFFFAOYSA-N -1 1 314.410 3.791 20 30 DHEDMM N#Cc1cccc([O-])c1NC(=O)Oc1ccccc1C(F)(F)F ZINC001195201424 1036178783 /nfs/dbraw/zinc/17/87/83/1036178783.db2.gz WXAXKUHMZSNBCY-UHFFFAOYSA-N -1 1 322.242 3.894 20 30 DHEDMM Cc1ccc(F)cc1NC(=S)Nc1scc([O-])c1C#N ZINC001195883559 1036375692 /nfs/dbraw/zinc/37/56/92/1036375692.db2.gz ZIYRLQFNBRSKSX-UHFFFAOYSA-N -1 1 307.375 3.582 20 30 DHEDMM CCn1cc(CN=Nc2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC000915047529 1036572682 /nfs/dbraw/zinc/57/26/82/1036572682.db2.gz USXKSOZMHQONED-UHFFFAOYSA-N -1 1 307.353 3.805 20 30 DHEDMM N#Cc1ccc(NC(=O)c2ccc(-c3cccs3)nc2)c([O-])c1 ZINC001196785466 1036610718 /nfs/dbraw/zinc/61/07/18/1036610718.db2.gz BHLJHEZUKAROBE-UHFFFAOYSA-N -1 1 321.361 3.640 20 30 DHEDMM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)N([O-])C(=N)c1ccccc1N ZINC001183916226 1036712534 /nfs/dbraw/zinc/71/25/34/1036712534.db2.gz FJGMNHMYQNUZFL-VNHYZAJKSA-N -1 1 317.433 3.520 20 30 DHEDMM CCC[C@H](OC)C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001184235328 1036782902 /nfs/dbraw/zinc/78/29/02/1036782902.db2.gz JEHPKCNSEPIWIB-LBPRGKRZSA-N -1 1 306.189 3.526 20 30 DHEDMM N#Cc1cccc(NC(=S)Nc2cccc([O-])c2Cl)c1 ZINC001197714719 1036853313 /nfs/dbraw/zinc/85/33/13/1036853313.db2.gz JTHPQQYIKNZZLW-UHFFFAOYSA-N -1 1 303.774 3.726 20 30 DHEDMM CCC1(C(=O)Nc2ccc(C#N)cc2[O-])CCC(F)(F)CC1 ZINC001184650227 1036919514 /nfs/dbraw/zinc/91/95/14/1036919514.db2.gz PTXYPRWVCZVAAQ-UHFFFAOYSA-N -1 1 308.328 3.808 20 30 DHEDMM CCCCCCCCS(=O)(=O)Nc1ccc([O-])c(F)c1F ZINC001188013447 1037787004 /nfs/dbraw/zinc/78/70/04/1037787004.db2.gz YPHIJLFLOPOAJQ-UHFFFAOYSA-N -1 1 321.389 3.773 20 30 DHEDMM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001188579128 1037935002 /nfs/dbraw/zinc/93/50/02/1037935002.db2.gz XNCSOLMQRJJNFY-SNVBAGLBSA-N -1 1 305.802 3.502 20 30 DHEDMM C[C@H](c1ccccc1Cl)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589167997 1038437239 /nfs/dbraw/zinc/43/72/39/1038437239.db2.gz OATVEGRKABDZFX-LLVKDONJSA-N -1 1 314.772 3.750 20 30 DHEDMM CCCN(CC1CCCCC1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589169834 1038437654 /nfs/dbraw/zinc/43/76/54/1038437654.db2.gz KLGFYXNUZUHGMR-UHFFFAOYSA-N -1 1 300.402 3.696 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)N2CCCC[C@@H]2Cc2ccccc2)c1 ZINC000589188142 1038444973 /nfs/dbraw/zinc/44/49/73/1038444973.db2.gz YLHNWCDTVJFCNY-GOSISDBHSA-N -1 1 320.392 3.501 20 30 DHEDMM Cc1c(NC(=O)c2cc([O-])cc(C#N)c2)cccc1C(F)(F)F ZINC000589189885 1038447997 /nfs/dbraw/zinc/44/79/97/1038447997.db2.gz XSVSVDHVSRZKNC-UHFFFAOYSA-N -1 1 320.270 3.843 20 30 DHEDMM C[C@@H]1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC12CCCCC2 ZINC000589206627 1038449241 /nfs/dbraw/zinc/44/92/41/1038449241.db2.gz ZMBOQQMLCXRXCQ-CQSZACIVSA-N -1 1 312.413 3.696 20 30 DHEDMM CC(C)c1ccc2c(c1)[C@H](NC(=O)c1cc([O-])cc(C#N)c1)CC2 ZINC000589208037 1038450830 /nfs/dbraw/zinc/45/08/30/1038450830.db2.gz OXKJTDJZGFXXLL-LJQANCHMSA-N -1 1 320.392 3.805 20 30 DHEDMM C=C(C)CN(CC)C(=O)c1ccccc1C(=O)c1ccc([O-])cc1 ZINC001191499043 1038517097 /nfs/dbraw/zinc/51/70/97/1038517097.db2.gz XKZSVGIZXFDZKS-UHFFFAOYSA-N -1 1 323.392 3.661 20 30 DHEDMM Cc1ccc(Cl)c(NC(=O)Nc2ccc([O-])c(C#N)c2)c1 ZINC001191702521 1038530571 /nfs/dbraw/zinc/53/05/71/1038530571.db2.gz HTTVMSYDUHHUNU-UHFFFAOYSA-N -1 1 301.733 3.870 20 30 DHEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000590917077 1038726879 /nfs/dbraw/zinc/72/68/79/1038726879.db2.gz DBGOKLSTWCQVDM-RTBURBONSA-N -1 1 320.392 3.672 20 30 DHEDMM CCc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000603970367 1039253868 /nfs/dbraw/zinc/25/38/68/1039253868.db2.gz QAQKFJBPWCSWMB-UHFFFAOYSA-N -1 1 320.801 3.575 20 30 DHEDMM CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000592869967 1039298014 /nfs/dbraw/zinc/29/80/14/1039298014.db2.gz APJYTEBIQOHJPK-WMLDXEAASA-N -1 1 312.413 3.552 20 30 DHEDMM CCCc1c(C)[n-]n(-c2ccc(C#N)c(C(F)(F)F)c2)c1=O ZINC000601941358 1040841489 /nfs/dbraw/zinc/84/14/89/1040841489.db2.gz VNMMVLDCSFEJPZ-GFCCVEGCSA-N -1 1 309.291 3.716 20 30 DHEDMM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000188464236 200250877 /nfs/dbraw/zinc/25/08/77/200250877.db2.gz WJLVFHISCYAMBP-PBHICJAKSA-N -1 1 320.392 3.591 20 30 DHEDMM C[C@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)CC[C@H]1c1ccccc1 ZINC000188557739 200266170 /nfs/dbraw/zinc/26/61/70/200266170.db2.gz LJZOVBDSOWPUHB-KBXCAEBGSA-N -1 1 320.392 3.530 20 30 DHEDMM C=CC[C@@H](NCc1ccc(-c2cccc(F)c2C)o1)C(=O)[O-] ZINC000426812854 332157152 /nfs/dbraw/zinc/15/71/52/332157152.db2.gz SJLWWUIHVFZCFM-OAHLLOKOSA-N -1 1 303.333 3.513 20 30 DHEDMM C=CC1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1 ZINC000338383210 333485998 /nfs/dbraw/zinc/48/59/98/333485998.db2.gz KWYDPPAXRCMRRY-UHFFFAOYSA-N -1 1 316.788 3.632 20 30 DHEDMM N#Cc1cscc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000343361481 335159414 /nfs/dbraw/zinc/15/94/14/335159414.db2.gz XHEJVSXIDFIFPB-UHFFFAOYSA-N -1 1 312.272 3.596 20 30 DHEDMM N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(C(=O)[O-])cc1 ZINC000414638454 334049739 /nfs/dbraw/zinc/04/97/39/334049739.db2.gz OAKUDDCOJNKPPH-RBUKOAKNSA-N -1 1 320.392 3.657 20 30 DHEDMM CC1(C)CCCN(C(=O)c2ccc3ccccc3c2[O-])[C@H]1C#N ZINC000277828192 334091059 /nfs/dbraw/zinc/09/10/59/334091059.db2.gz IAUPXSGEFBDBKG-INIZCTEOSA-N -1 1 308.381 3.700 20 30 DHEDMM N#C[C@]1(c2nc(-c3ccc([O-])cc3Cl)no2)CC12CCCC2 ZINC000297137452 334239741 /nfs/dbraw/zinc/23/97/41/334239741.db2.gz ZGEKVPWJFTYXND-INIZCTEOSA-N -1 1 315.760 3.821 20 30 DHEDMM C=CCn1c(=O)[nH]nc1SCc1cc(Cl)ccc1Cl ZINC000532361057 336244093 /nfs/dbraw/zinc/24/40/93/336244093.db2.gz WEYVBDSDFPVNFK-UHFFFAOYSA-N -1 1 316.213 3.769 20 30 DHEDMM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1sccc1C#N ZINC000122700566 337022024 /nfs/dbraw/zinc/02/20/24/337022024.db2.gz GPXOQICUZZVSSL-UHFFFAOYSA-N -1 1 309.350 3.836 20 30 DHEDMM N#CCCC1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000399457623 337312631 /nfs/dbraw/zinc/31/26/31/337312631.db2.gz NZSNYECCNJMLBM-UHFFFAOYSA-N -1 1 308.381 3.701 20 30 DHEDMM CCCN(Cc1ccc(C)cc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000527489545 337745730 /nfs/dbraw/zinc/74/57/30/337745730.db2.gz ULKDUMJOBYPLOO-UHFFFAOYSA-N -1 1 308.381 3.625 20 30 DHEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000084460812 338002521 /nfs/dbraw/zinc/00/25/21/338002521.db2.gz HMYYFFFLSYRJTR-UHFFFAOYSA-N -1 1 322.389 3.821 20 30 DHEDMM N#CCCC1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000516471959 338013232 /nfs/dbraw/zinc/01/32/32/338013232.db2.gz DTFLFCLGFBWIFT-UHFFFAOYSA-N -1 1 308.381 3.701 20 30 DHEDMM C=CCC(C)(C)CNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000432177800 338147982 /nfs/dbraw/zinc/14/79/82/338147982.db2.gz QIAJCDMTXUVLBA-UHFFFAOYSA-N -1 1 312.417 3.875 20 30 DHEDMM N#CCC[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccccc1 ZINC000436601058 338279445 /nfs/dbraw/zinc/27/94/45/338279445.db2.gz BHEDAXNNGQYLQZ-HNNXBMFYSA-N -1 1 314.772 3.820 20 30 DHEDMM N#C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1ccccc1F ZINC000436616700 338280062 /nfs/dbraw/zinc/28/00/62/338280062.db2.gz KUMVIXSLOHVYIQ-QGZVFWFLSA-N -1 1 320.323 3.679 20 30 DHEDMM CC(C)(C)[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000442726904 338429264 /nfs/dbraw/zinc/42/92/64/338429264.db2.gz DODLRCHNJBYHOD-QGZVFWFLSA-N -1 1 308.381 3.781 20 30 DHEDMM C=CCN(CCc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000512030912 340345986 /nfs/dbraw/zinc/34/59/86/340345986.db2.gz MGWMKRVBRSGMCZ-UHFFFAOYSA-N -1 1 312.369 3.531 20 30 DHEDMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c1 ZINC000172884309 340346003 /nfs/dbraw/zinc/34/60/03/340346003.db2.gz QQSQEXWWXLCRFA-UHFFFAOYSA-N -1 1 314.410 3.677 20 30 DHEDMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000076935486 341215959 /nfs/dbraw/zinc/21/59/59/341215959.db2.gz FIJAAYUJUZJXJD-UHFFFAOYSA-N -1 1 314.410 3.538 20 30 DHEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)[C@@H](C)C1CCCCC1 ZINC000443277163 518178105 /nfs/dbraw/zinc/17/81/05/518178105.db2.gz BNMMKCDNRZIPRS-CHWSQXEVSA-N -1 1 300.402 3.599 20 30 DHEDMM C[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1Cl ZINC000827718461 601297545 /nfs/dbraw/zinc/29/75/45/601297545.db2.gz SODDHLIZZYTOPW-ZBEGNZNMSA-N -1 1 314.772 3.688 20 30 DHEDMM CCc1oc(C(=O)[O-])cc1CN(Cc1ccc(C#N)cc1)C1CC1 ZINC000830362948 601414537 /nfs/dbraw/zinc/41/45/37/601414537.db2.gz KUZKRLCRNHXIBG-UHFFFAOYSA-N -1 1 324.380 3.576 20 30 DHEDMM C=CCN(Cc1ccsc1C(=O)[O-])Cc1cccc(C#N)c1 ZINC000825682392 601810337 /nfs/dbraw/zinc/81/03/37/601810337.db2.gz ZAHBSSMDPBMXHX-UHFFFAOYSA-N -1 1 312.394 3.506 20 30 DHEDMM Cc1ccc(O)c(C(C)N=Nc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000833386477 605156052 /nfs/dbraw/zinc/15/60/52/605156052.db2.gz IPNUUHDTEUVLBE-UHFFFAOYSA-N -1 1 318.760 3.888 20 30 DHEDMM C(=NNc1cccc2ccccc21)c1ccc(-c2nn[n-]n2)s1 ZINC000819718222 606369832 /nfs/dbraw/zinc/36/98/32/606369832.db2.gz BJFOAFJMHITJDM-UHFFFAOYSA-N -1 1 320.381 3.527 20 30 DHEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@H]1CC[C@H](C)C1 ZINC000331063574 1013854999 /nfs/dbraw/zinc/85/49/99/1013854999.db2.gz DJDBXRSVSDWLHP-CMPLNLGQSA-N -1 1 305.422 3.529 20 30 DHEDMM N#Cc1ccc(C(=O)N2CCC[C@H]2/C=C\c2ccccc2)cc1[O-] ZINC000443131880 1014824913 /nfs/dbraw/zinc/82/49/13/1014824913.db2.gz LFPBNQJDTJEHPI-YFWYWMRJSA-N -1 1 318.376 3.582 20 30 DHEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(Cl)cc3C)nc1-2 ZINC000361806129 1032105966 /nfs/dbraw/zinc/10/59/66/1032105966.db2.gz FNJFWAKVWHJMLG-ZDUSSCGKSA-N -1 1 324.771 3.718 20 30 DHEDMM C=C[C@@H](N[C@@H](c1c(Cl)cccc1Cl)C1CC1)C(=O)[O-] ZINC001588695773 983901971 /nfs/dbraw/zinc/90/19/71/983901971.db2.gz KYDVJNUUOGSFNA-DGCLKSJQSA-N -1 1 300.185 3.673 20 30 DHEDMM COc1ccc([O-])c(C(=O)/C=C\c2cccc3cnccc23)c1 ZINC000588423261 1015180472 /nfs/dbraw/zinc/18/04/72/1015180472.db2.gz WZNPQRCFRXDLOF-ALCCZGGFSA-N -1 1 305.333 3.845 20 30 DHEDMM CCN(C[C@@H](C)C#N)Cn1c(CCC2CCCC2)n[n-]c1=S ZINC000171064423 1015696962 /nfs/dbraw/zinc/69/69/62/1015696962.db2.gz NAQIAKSOYUQYEO-ZDUSSCGKSA-N -1 1 321.494 3.503 20 30 DHEDMM O=C([N-]c1nncs1)c1cnc(-c2ccccc2Cl)s1 ZINC000050296204 1016930266 /nfs/dbraw/zinc/93/02/66/1016930266.db2.gz XHXSYIRTQGCQFT-UHFFFAOYSA-N -1 1 322.802 3.951 20 30 DHEDMM O=C1c2ccc([O-])cc2C/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000588535198 1017055790 /nfs/dbraw/zinc/05/57/90/1017055790.db2.gz PRBFXWRUPWRQSV-WZUFQYTHSA-N -1 1 315.712 3.776 20 30 DHEDMM COc1cccc(C(=O)Nc2sc3ccccc3c2C#N)c1[O-] ZINC001148197437 1032369034 /nfs/dbraw/zinc/36/90/34/1032369034.db2.gz KNXVUPLYBLANGB-UHFFFAOYSA-N -1 1 324.361 3.739 20 30 DHEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000023371042 1011966626 /nfs/dbraw/zinc/96/66/26/1011966626.db2.gz SACNWEFAPAGWOZ-UHFFFAOYSA-N -1 1 313.422 3.766 20 30 DHEDMM O=C(/C=C\c1ccc(OC(F)F)c(F)c1)c1cc(O)ccc1[O-] ZINC000254981029 1012638096 /nfs/dbraw/zinc/63/80/96/1012638096.db2.gz JXMDLCRQHGSZPX-RJRFIUFISA-N -1 1 324.254 3.734 20 30 DHEDMM Cc1csc([N-]C(=O)c2ocnc2-c2ccccc2)c1C#N ZINC001128750616 1018034778 /nfs/dbraw/zinc/03/47/78/1018034778.db2.gz JAWMAARASVHLRP-UHFFFAOYSA-N -1 1 309.350 3.836 20 30 DHEDMM CC(=NNc1cccc(C(F)(F)F)n1)c1cccc(C(=O)[O-])c1 ZINC000764690441 1018351016 /nfs/dbraw/zinc/35/10/16/1018351016.db2.gz QOMADTPNVCNRCU-UHFFFAOYSA-N -1 1 323.274 3.635 20 30 DHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(C3CCC3)cc2)c1 ZINC000447280802 1018361834 /nfs/dbraw/zinc/36/18/34/1018361834.db2.gz NFNVJMIJTHRHFA-UHFFFAOYSA-N -1 1 312.394 3.627 20 30 DHEDMM N#CC(=C([O-])c1ccnc(C2CC2)c1)c1nc(C2CC2)cs1 ZINC000647378982 1020249529 /nfs/dbraw/zinc/24/95/29/1020249529.db2.gz RGMHICRLOBYLPQ-CYBMUJFWSA-N -1 1 309.394 3.783 20 30 DHEDMM O=C(/C=C\c1ccc([O-])c(Cl)c1)c1ccc2c(c1)CCO2 ZINC000255778217 1020395071 /nfs/dbraw/zinc/39/50/71/1020395071.db2.gz WHTCIYDGKFVNNZ-RJRFIUFISA-N -1 1 300.741 3.877 20 30 DHEDMM CC(=NO[C@H]1CCCCO1)c1cc(Cl)c(Cl)cc1[O-] ZINC000766028557 1020484352 /nfs/dbraw/zinc/48/43/52/1020484352.db2.gz CHJNPMYGYBMKNJ-ZDUSSCGKSA-N -1 1 304.173 3.966 20 30 DHEDMM O=C1c2ccc([O-])cc2C/C1=C/c1cccc(OC(F)F)c1 ZINC000187221304 1020511342 /nfs/dbraw/zinc/51/13/42/1020511342.db2.gz SLTKDPWKTIPLGZ-SDQBBNPISA-N -1 1 302.276 3.816 20 30 DHEDMM O=C1c2ccc([O-])cc2C/C1=C/c1csc(-c2ccccn2)n1 ZINC000187220591 1020511440 /nfs/dbraw/zinc/51/14/40/1020511440.db2.gz XRIYPYHPLKBPRO-WQLSENKSSA-N -1 1 320.373 3.733 20 30 DHEDMM N#Cc1cccc([O-])c1NC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC001202412127 1021242362 /nfs/dbraw/zinc/24/23/62/1021242362.db2.gz JCMIZRINWPQVFY-UHFFFAOYSA-N -1 1 321.258 3.927 20 30 DHEDMM CCN(CC)c1ncc(/C=C/C(=O)c2ccc([O-])cc2)s1 ZINC000917400459 1021251845 /nfs/dbraw/zinc/25/18/45/1021251845.db2.gz WFJOZKKNWRRVTK-MDZDMXLPSA-N -1 1 302.399 3.591 20 30 DHEDMM Oc1ccc(Cl)cc1/C=N/CC[N@@H+]1CCc2sccc2C1 ZINC000122209011 1021359114 /nfs/dbraw/zinc/35/91/14/1021359114.db2.gz HFVMXQRUQOFVRE-VCHYOVAHSA-N -1 1 320.845 3.584 20 30 DHEDMM O=C(/C=C/c1cc(Cl)cc2c1OCC2)c1cc(O)ccc1[O-] ZINC000782889749 1021374721 /nfs/dbraw/zinc/37/47/21/1021374721.db2.gz LLHVXUGADKMCDF-HNQUOIGGSA-N -1 1 316.740 3.582 20 30 DHEDMM Cc1ccc([O-])c(C(=O)/C=C\c2cncc(Br)c2)c1 ZINC000588476161 1021474355 /nfs/dbraw/zinc/47/43/55/1021474355.db2.gz CKDKYXAATNVSTG-HYXAFXHYSA-N -1 1 318.170 3.754 20 30 DHEDMM CC(C)c1cccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000619461407 1021761689 /nfs/dbraw/zinc/76/16/89/1021761689.db2.gz YADHVNLTFQPPRX-UHFFFAOYSA-N -1 1 314.410 3.677 20 30 DHEDMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619461394 1021762652 /nfs/dbraw/zinc/76/26/52/1021762652.db2.gz VZJCBBHOBBNFQN-UHFFFAOYSA-N -1 1 320.801 3.515 20 30 DHEDMM O=C1c2ccc([O-])cc2C/C1=C\c1ccc(OCC(F)F)cc1 ZINC000187227455 1021949339 /nfs/dbraw/zinc/94/93/39/1021949339.db2.gz ZWCOTMKWKATPJK-NTUHNPAUSA-N -1 1 316.303 3.859 20 30 DHEDMM N#Cc1c([N-]C(=O)c2scnc2Cl)sc2c1CCCC2 ZINC000920078181 1022034419 /nfs/dbraw/zinc/03/44/19/1022034419.db2.gz BMPMQLOVPGDWJP-UHFFFAOYSA-N -1 1 323.830 3.861 20 30 DHEDMM N#CC1([N-]C(=O)C(F)(F)c2cccc(Cl)c2)CCCCC1 ZINC000921074714 1022209029 /nfs/dbraw/zinc/20/90/29/1022209029.db2.gz WZMCSCIKLBHFSV-UHFFFAOYSA-N -1 1 312.747 3.774 20 30 DHEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000416281616 1022231434 /nfs/dbraw/zinc/23/14/34/1022231434.db2.gz AJCHRORKOXQCDQ-GJZGRUSLSA-N -1 1 300.402 3.551 20 30 DHEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000416281615 1022232076 /nfs/dbraw/zinc/23/20/76/1022232076.db2.gz AJCHRORKOXQCDQ-CABCVRRESA-N -1 1 300.402 3.551 20 30 DHEDMM Cc1ccc(N(C(=O)c2cc([O-])cc(C#N)c2)C2CCC2)cc1 ZINC000923649143 1033085115 /nfs/dbraw/zinc/08/51/15/1033085115.db2.gz YNMYALMBFIKPPM-UHFFFAOYSA-N -1 1 306.365 3.772 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CCC[C@H](c3ccccc3)C2)c1 ZINC000617171479 1022875320 /nfs/dbraw/zinc/87/53/20/1022875320.db2.gz ACEDDVREPYYWME-WMZOPIPTSA-N -1 1 320.392 3.720 20 30 DHEDMM COC(=O)c1cccc(NN=C(C)c2ccc([O-])c(Cl)c2)c1 ZINC000768781430 1023026973 /nfs/dbraw/zinc/02/69/73/1023026973.db2.gz GKWSXLSYUAFOGP-UHFFFAOYSA-N -1 1 318.760 3.668 20 30 DHEDMM C=CC[C@@H]1CCCN(C(=O)c2cc(Cl)c([O-])c(OCC)c2)C1 ZINC000617788369 1023058315 /nfs/dbraw/zinc/05/83/15/1023058315.db2.gz HIDJFYFDRXVQGM-GFCCVEGCSA-N -1 1 323.820 3.873 20 30 DHEDMM O=C(/C=C/c1ccc([O-])c(Br)c1)c1cscn1 ZINC000769264751 1023111166 /nfs/dbraw/zinc/11/11/66/1023111166.db2.gz NEXVPYUKOUIHKO-DUXPYHPUSA-N -1 1 310.172 3.507 20 30 DHEDMM C#CCCCCc1nc(-c2cc(Cl)c([O-])c(OCC)c2)no1 ZINC000771108153 1023397571 /nfs/dbraw/zinc/39/75/71/1023397571.db2.gz IXKMEBBDSVFHBL-UHFFFAOYSA-N -1 1 320.776 3.840 20 30 DHEDMM O=C(C=Cc1c[nH]nc1-c1ccccc1F)c1ccc([O-])cc1 ZINC000126141956 1033135477 /nfs/dbraw/zinc/13/54/77/1033135477.db2.gz GDKSVHMEQJMOLC-JXMROGBWSA-N -1 1 308.312 3.818 20 30 DHEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1csc2ccccc21 ZINC000785587159 1023592019 /nfs/dbraw/zinc/59/20/19/1023592019.db2.gz HZGRNGYLTKRYQL-LLVKDONJSA-N -1 1 322.389 3.970 20 30 DHEDMM CC(=NNCCc1ccccn1)c1cc(Cl)c(Cl)cc1[O-] ZINC000789124160 1024002184 /nfs/dbraw/zinc/00/21/84/1024002184.db2.gz CGSRSJFBJUZUDX-UHFFFAOYSA-N -1 1 324.211 3.650 20 30 DHEDMM O=C1c2ccc([O-])cc2O/C1=C\c1cc(Br)cs1 ZINC000213837851 1024137459 /nfs/dbraw/zinc/13/74/59/1024137459.db2.gz HVLUBKJJZQUGFO-XGICHPGQSA-N -1 1 323.167 3.832 20 30 DHEDMM [O-]c1ccc(Cl)c(F)c1CN=Nc1nncc2ccccc21 ZINC000790144379 1024228848 /nfs/dbraw/zinc/22/88/48/1024228848.db2.gz PUBFLVRQJYZFQJ-UHFFFAOYSA-N -1 1 316.723 3.574 20 30 DHEDMM COc1ccc([O-])c(C(=O)/C=C\c2cncc3ccccc23)c1 ZINC000772799304 1024685376 /nfs/dbraw/zinc/68/53/76/1024685376.db2.gz AWRUVKLPJWAOOP-VURMDHGXSA-N -1 1 305.333 3.845 20 30 DHEDMM CCC(N=Nc1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)[O-])cc1 ZINC000760216451 1024738479 /nfs/dbraw/zinc/73/84/79/1024738479.db2.gz AHCJERHZMCNDHX-UHFFFAOYSA-N -1 1 313.313 3.519 20 30 DHEDMM CC(C)c1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000475810312 1024788950 /nfs/dbraw/zinc/78/89/50/1024788950.db2.gz OIQGJQDHKLGQKE-UHFFFAOYSA-N -1 1 314.410 3.677 20 30 DHEDMM CC(C)(C)c1ccc(C([O-])=C(C#N)c2ccncn2)cc1Cl ZINC000355205480 1025636949 /nfs/dbraw/zinc/63/69/49/1025636949.db2.gz MLYJMXOQSBONJD-GFCCVEGCSA-N -1 1 313.788 3.918 20 30 DHEDMM CCCOc1cccc(C([O-])=C(C#N)c2nc(C)cs2)c1 ZINC000048788356 1025675990 /nfs/dbraw/zinc/67/59/90/1025675990.db2.gz 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1028928001 /nfs/dbraw/zinc/92/80/01/1028928001.db2.gz RINZQQWHIXAWMY-LBPRGKRZSA-N -1 1 319.286 3.660 20 30 DHEDMM CC(C)c1csc(C(C#N)=C([O-])c2c3ccccc3nn2C)n1 ZINC000358433241 1030487239 /nfs/dbraw/zinc/48/72/39/1030487239.db2.gz UAUNZZXGQOUKJY-LBPRGKRZSA-N -1 1 324.409 3.643 20 30 DHEDMM N#Cc1nc2ccc(Nc3ccc([O-])c(F)c3F)cc2s1 ZINC001212008878 1030646148 /nfs/dbraw/zinc/64/61/48/1030646148.db2.gz GOXVXSBBALDZIS-UHFFFAOYSA-N -1 1 303.293 3.895 20 30 DHEDMM CCCCCC[C@H](C)NN=C1CCCc2c(C#N)c(=O)[n-]cc21 ZINC000844585124 1031225827 /nfs/dbraw/zinc/22/58/27/1031225827.db2.gz JLBLCEKCEHNIJV-ZDUSSCGKSA-N -1 1 314.433 3.648 20 30 DHEDMM CCCn1nc(C)c(/C=C\C(=O)c2cccc([O-])c2F)c1C ZINC000871671328 1031262493 /nfs/dbraw/zinc/26/24/93/1031262493.db2.gz BZHWQHBNJATBOJ-HJWRWDBZSA-N -1 1 302.349 3.651 20 30 DHEDMM CC(C)(C)OC(=O)N=c1[n-]c(C=NOC/C=C\Cl)cs1 ZINC000872375290 1031593820 /nfs/dbraw/zinc/59/38/20/1031593820.db2.gz XWAWUYDVERKURA-CKZSGSRWSA-N -1 1 317.798 3.593 20 30 DHEDMM C[C@@H]1CCCCN1N=Cc1csc(=NC(=O)OC(C)(C)C)[n-]1 ZINC000872389078 1031594938 /nfs/dbraw/zinc/59/49/38/1031594938.db2.gz XXSLMHZEODKNAX-LLVKDONJSA-N -1 1 324.450 3.698 20 30 DHEDMM CCC(=NNc1cc(Cl)ccn1)c1cc(C(=O)[O-])ccc1F ZINC000777906244 1031808123 /nfs/dbraw/zinc/80/81/23/1031808123.db2.gz VTEKONIOWJPQFY-UHFFFAOYSA-N -1 1 321.739 3.799 20 30 DHEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1c(Cl)cccc1-c1ccccc1 ZINC001193158449 1035581135 /nfs/dbraw/zinc/58/11/35/1035581135.db2.gz PSPFRJFNLMHTIW-NSHDSACASA-N -1 1 320.801 3.661 20 30 DHEDMM CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)CC2 ZINC000442974433 1035742680 /nfs/dbraw/zinc/74/26/80/1035742680.db2.gz CEHWPUXBEUMQDF-SFHVURJKSA-N -1 1 320.392 3.805 20 30 DHEDMM CCCCCCC[C@H](C)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC001181112125 1035835368 /nfs/dbraw/zinc/83/53/68/1035835368.db2.gz MLOMJAUWPQWLKX-VIFPVBQESA-N -1 1 306.332 3.759 20 30 DHEDMM N#Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)cc1[O-] ZINC000443345429 1036086655 /nfs/dbraw/zinc/08/66/55/1036086655.db2.gz KOOCPQQFCARKNN-ZWKOTPCHSA-N -1 1 320.392 3.720 20 30 DHEDMM [O-]c1c(C=NOC2CCOCC2)cc(Cl)c2ccccc12 ZINC000774441443 1036333386 /nfs/dbraw/zinc/33/33/86/1036333386.db2.gz LYVJZZRCFIGLCT-UHFFFAOYSA-N -1 1 305.761 3.728 20 30 DHEDMM CC(C)[C@H](C)NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196297592 1036499256 /nfs/dbraw/zinc/49/92/56/1036499256.db2.gz OIGLDEGNJJRLRU-ZDUSSCGKSA-N -1 1 308.381 3.705 20 30 DHEDMM CCCC[C@@H](ON=C(C)C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909986083 1036730791 /nfs/dbraw/zinc/73/07/91/1036730791.db2.gz YTMGVZSRZYVFSU-CQSZACIVSA-N -1 1 314.332 3.580 20 30 DHEDMM N#Cc1c(F)ccc(/C=C2/Oc3cc([O-])ccc3C2=O)c1Cl ZINC000761480180 1036978812 /nfs/dbraw/zinc/97/88/12/1036978812.db2.gz ZJWZZLUNAABPBS-LHHJGKSTSA-N -1 1 315.687 3.673 20 30 DHEDMM O=C(/C=C\c1nc2ccc(F)cc2s1)c1cc(O)ccc1[O-] ZINC000761481857 1036993918 /nfs/dbraw/zinc/99/39/18/1036993918.db2.gz YQLLLSBASNEAPP-WAYWQWQTSA-N -1 1 315.325 3.743 20 30 DHEDMM Cc1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)ccc1Cl ZINC001185525325 1037170812 /nfs/dbraw/zinc/17/08/12/1037170812.db2.gz XTPYZMCWFBMZKB-UHFFFAOYSA-N -1 1 320.801 3.629 20 30 DHEDMM Cc1c(Cl)onc1C(=O)[N-]c1sc2ccccc2c1C#N ZINC001199670884 1037303339 /nfs/dbraw/zinc/30/33/39/1037303339.db2.gz KJEREFMKINHMCP-UHFFFAOYSA-N -1 1 317.757 3.975 20 30 DHEDMM N#Cc1ccc(NC(=S)Nc2cccc(Cl)c2)c([O-])c1 ZINC001201105328 1037529479 /nfs/dbraw/zinc/52/94/79/1037529479.db2.gz JGSPQHRMTGSOGM-UHFFFAOYSA-N -1 1 303.774 3.726 20 30 DHEDMM CCc1ccccc1NC(=S)Nc1scc([O-])c1C#N ZINC001201139983 1037540091 /nfs/dbraw/zinc/54/00/91/1037540091.db2.gz ZAJNFBAUYJFHJS-UHFFFAOYSA-N -1 1 303.412 3.697 20 30 DHEDMM CCCc1onc(C)c1C(=O)[N-]c1c(C#N)oc2ccccc21 ZINC001187932520 1037758540 /nfs/dbraw/zinc/75/85/40/1037758540.db2.gz NPMHXNCIBWMZIJ-UHFFFAOYSA-N -1 1 309.325 3.806 20 30 DHEDMM CCCCCCCCS(=O)(=O)[N-]c1cc(OC)c(C)cn1 ZINC001188002019 1037777687 /nfs/dbraw/zinc/77/76/87/1037777687.db2.gz VNDWCGVZYORUGM-UHFFFAOYSA-N -1 1 314.451 3.501 20 30 DHEDMM CCCCCCCCS(=O)(=O)[N-]c1ccccc1C(C)=O ZINC001188012926 1037783070 /nfs/dbraw/zinc/78/30/70/1037783070.db2.gz KDSZFBCMUIIBKT-UHFFFAOYSA-N -1 1 311.447 3.991 20 30 DHEDMM Cc1cc(C#N)c([N-]C(=O)c2ncsc2C(F)(F)F)s1 ZINC001188206682 1037849982 /nfs/dbraw/zinc/84/99/82/1037849982.db2.gz IMQBIRVPJUVELG-UHFFFAOYSA-N -1 1 317.317 3.656 20 30 DHEDMM N#Cc1cc(NC(=O)Nc2cccc(Cl)c2F)ccc1[O-] ZINC001188410817 1037902316 /nfs/dbraw/zinc/90/23/16/1037902316.db2.gz NDRGYWQBTVNRAE-UHFFFAOYSA-N -1 1 305.696 3.700 20 30 DHEDMM Cc1cc(SCc2cc(=O)oc3cc([O-])ccc23)ccc1C#N ZINC001189582171 1038176047 /nfs/dbraw/zinc/17/60/47/1038176047.db2.gz FQIBAYSDQZQGHN-UHFFFAOYSA-N -1 1 323.373 3.971 20 30 DHEDMM CC(C)(C)c1ncc(/C=C/C(=O)c2cc(O)ccc2[O-])s1 ZINC000156652911 1038178322 /nfs/dbraw/zinc/17/83/22/1038178322.db2.gz SWTCRSXCXIULGK-FNORWQNLSA-N -1 1 303.383 3.748 20 30 DHEDMM CCc1cccc(C)c1NC(=O)Nc1scc([O-])c1C#N ZINC001189948355 1038237271 /nfs/dbraw/zinc/23/72/71/1038237271.db2.gz WTIOIMILLFKTAL-UHFFFAOYSA-N -1 1 301.371 3.840 20 30 DHEDMM C=CCC1(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)CC1 ZINC001190762686 1038374487 /nfs/dbraw/zinc/37/44/87/1038374487.db2.gz SPGRIHYSKHFGHI-UHFFFAOYSA-N -1 1 305.321 3.556 20 30 DHEDMM CCc1ccc(CN(C(=O)c2cc([O-])cc(C#N)c2)C2CC2)cc1 ZINC000589168020 1038437478 /nfs/dbraw/zinc/43/74/78/1038437478.db2.gz RDUCLAMXLWJSHD-UHFFFAOYSA-N -1 1 320.392 3.631 20 30 DHEDMM CCCCOc1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000589169778 1038438327 /nfs/dbraw/zinc/43/83/27/1038438327.db2.gz CSEQESYYZASDSM-UHFFFAOYSA-N -1 1 310.353 3.695 20 30 DHEDMM CCCN(C(=O)c1cc([O-])cc(C#N)c1)[C@H]1CCc2ccccc21 ZINC000589173274 1038439714 /nfs/dbraw/zinc/43/97/14/1038439714.db2.gz QVIWONYCTTURIV-IBGZPJMESA-N -1 1 320.392 3.804 20 30 DHEDMM CCC[C@@H](CCc1ccccc1)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589183645 1038444579 /nfs/dbraw/zinc/44/45/79/1038444579.db2.gz ZSQIVDHJIYGTOS-SFHVURJKSA-N -1 1 322.408 3.795 20 30 DHEDMM CCSCc1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000589183277 1038445345 /nfs/dbraw/zinc/44/53/45/1038445345.db2.gz CCKNABQHCPVGMS-UHFFFAOYSA-N -1 1 312.394 3.769 20 30 DHEDMM C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589527180 1038499918 /nfs/dbraw/zinc/49/99/18/1038499918.db2.gz IZTMHKHLTWONFJ-SWLSCSKDSA-N -1 1 300.402 3.551 20 30 DHEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1CCCc2ccccc21 ZINC000045571201 1038505315 /nfs/dbraw/zinc/50/53/15/1038505315.db2.gz BFWUDCLJGXJABT-JTQLQIEISA-N -1 1 310.279 3.532 20 30 DHEDMM CC(C)(C)c1ccc(C(=O)Nc2ccc(C#N)cc2O)c([O-])c1 ZINC001192322922 1038629716 /nfs/dbraw/zinc/62/97/16/1038629716.db2.gz SIARHGWZTBMZPN-UHFFFAOYSA-N -1 1 310.353 3.519 20 30 DHEDMM CC(C)[C@H]1N(C(=O)c2cc([O-])cc(C#N)c2)CC12CCCCC2 ZINC000590919906 1038726560 /nfs/dbraw/zinc/72/65/60/1038726560.db2.gz PWVVMVYQVPKMPJ-QGZVFWFLSA-N -1 1 312.413 3.695 20 30 DHEDMM N#CCCCOc1cccc(/C=C2/Oc3cc([O-])ccc3C2=O)c1 ZINC000171148814 1039298702 /nfs/dbraw/zinc/29/87/02/1039298702.db2.gz USIJVELVXOEOJE-WOJGMQOQSA-N -1 1 321.332 3.691 20 30 DHEDMM N#Cc1ccsc1[N-]C(=O)c1cc(-c2ccccc2F)on1 ZINC000604110740 1039351093 /nfs/dbraw/zinc/35/10/93/1039351093.db2.gz ZYLBSUHMDIUMDR-UHFFFAOYSA-N -1 1 313.313 3.666 20 30 DHEDMM N#CC(=C([O-])c1cc2occc2s1)c1nc2ccccc2[nH]1 ZINC000606144144 1039781191 /nfs/dbraw/zinc/78/11/91/1039781191.db2.gz BFWWJOPRAPWZNF-VIFPVBQESA-N -1 1 307.334 3.861 20 30 DHEDMM N#Cc1ccc(NCc2cccc(Br)c2[O-])c(F)c1 ZINC000168238839 1039859243 /nfs/dbraw/zinc/85/92/43/1039859243.db2.gz KDFZVBSYQADYQB-UHFFFAOYSA-N -1 1 321.149 3.778 20 30 DHEDMM CC(=O)Nc1cccc(C(=O)/C=C/c2ccc([O-])c(Cl)c2)c1 ZINC000060132477 1040453842 /nfs/dbraw/zinc/45/38/42/1040453842.db2.gz OXAJPWKERSCEPQ-FNORWQNLSA-N -1 1 315.756 3.900 20 30 DHEDMM CCCN(C(=O)c1ccc(C#N)c([O-])c1)[C@@H]1CCc2ccccc21 ZINC000442944835 338439919 /nfs/dbraw/zinc/43/99/19/338439919.db2.gz RDHARISQIZPVKF-GOSISDBHSA-N -1 1 320.392 3.804 20 30 DHEDMM CC(C)C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccs1 ZINC000442952777 338440093 /nfs/dbraw/zinc/44/00/93/338440093.db2.gz UGSPAFGDXKUXET-AWEZNQCLSA-N -1 1 314.410 3.843 20 30 DHEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000179024625 333023790 /nfs/dbraw/zinc/02/37/90/333023790.db2.gz YTOLYQTWTLCVPP-UHFFFAOYSA-N -1 1 314.410 3.791 20 30 DHEDMM CC(C)c1ccc(CCCNC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000442965120 338440339 /nfs/dbraw/zinc/44/03/39/338440339.db2.gz LOLZBVAZLRRWRP-UHFFFAOYSA-N -1 1 322.408 3.750 20 30 DHEDMM CCOc1cc(-c2noc(CC(C)(C)C#N)n2)cc(Cl)c1[O-] ZINC000289220461 334163967 /nfs/dbraw/zinc/16/39/67/334163967.db2.gz SOKWOHUDLRYMOO-UHFFFAOYSA-N -1 1 321.764 3.587 20 30 DHEDMM CC(C)CCC1CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000443055214 338442413 /nfs/dbraw/zinc/44/24/13/338442413.db2.gz AXGOPDAHYAIKMU-UHFFFAOYSA-N -1 1 300.402 3.552 20 30 DHEDMM N#Cc1ccc(C(=O)NC2(Cc3ccccc3)CCCC2)cc1[O-] ZINC000443132788 338445293 /nfs/dbraw/zinc/44/52/93/338445293.db2.gz QRFLBFXGAZGXJI-UHFFFAOYSA-N -1 1 320.392 3.549 20 30 DHEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)[C@H](C)C1CCCCC1 ZINC000443277168 338448377 /nfs/dbraw/zinc/44/83/77/338448377.db2.gz BNMMKCDNRZIPRS-QWHCGFSZSA-N -1 1 300.402 3.599 20 30 DHEDMM CCC[C@@H](CCc1ccccc1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000443280262 338448439 /nfs/dbraw/zinc/44/84/39/338448439.db2.gz WPBGCJPOOIKZLZ-SFHVURJKSA-N -1 1 322.408 3.795 20 30 DHEDMM N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)cc1[O-] ZINC000443276013 338448448 /nfs/dbraw/zinc/44/84/48/338448448.db2.gz QHDREGCQDSYCNV-QGZVFWFLSA-N -1 1 324.355 3.770 20 30 DHEDMM COc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1Cl ZINC000344636402 335261425 /nfs/dbraw/zinc/26/14/25/335261425.db2.gz OKVIKWRYXDOHSO-JTQLQIEISA-N -1 1 306.774 3.604 20 30 DHEDMM Cc1cc(C(=O)[N-]c2sc3c(c2C#N)C[C@@H](C)C[C@@H]3C)on1 ZINC000331760651 336147795 /nfs/dbraw/zinc/14/77/95/336147795.db2.gz KFMIYGCHULHZCS-IUCAKERBSA-N -1 1 315.398 3.854 20 30 DHEDMM N#Cc1cccc(C2(c3nc(-c4ccc([O-])cc4F)no3)CC2)c1 ZINC000445452606 338016726 /nfs/dbraw/zinc/01/67/26/338016726.db2.gz DVRHRHQPDQOCNE-UHFFFAOYSA-N -1 1 321.311 3.533 20 30 DHEDMM C=CCN(C(=O)c1ccccc1[O-])c1nc2c(s1)CCCC2 ZINC000436590294 338278705 /nfs/dbraw/zinc/27/87/05/338278705.db2.gz RWPJGWDJVWFPJF-UHFFFAOYSA-N -1 1 314.410 3.560 20 30 DHEDMM N#C[C@H](NC(=O)c1ccc2ccccc2c1[O-])c1ccc(F)cc1 ZINC000436759217 338285970 /nfs/dbraw/zinc/28/59/70/338285970.db2.gz UZMSOZLVIIIUPI-KRWDZBQOSA-N -1 1 320.323 3.679 20 30 DHEDMM C=CCOc1ccccc1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000436870242 338290887 /nfs/dbraw/zinc/29/08/87/338290887.db2.gz DEAOHGZUUPMJFB-UHFFFAOYSA-N -1 1 312.300 3.813 20 30 DHEDMM N#Cc1ccc(C2(c3nc(-c4ccc([O-])cc4F)no3)CC2)cc1 ZINC000436877100 338291275 /nfs/dbraw/zinc/29/12/75/338291275.db2.gz DNHKHMCZDVYQET-UHFFFAOYSA-N -1 1 321.311 3.533 20 30 DHEDMM N#CCCC[C@@H](NC(=O)c1ccc([O-])cc1F)c1ccccc1 ZINC000436925249 338293684 /nfs/dbraw/zinc/29/36/84/338293684.db2.gz IEFQBCNLEHSPBJ-QGZVFWFLSA-N -1 1 312.344 3.696 20 30 DHEDMM CC(C)[C@@H]1N(C(=O)c2ccc(C#N)c([O-])c2)CC12CCCCC2 ZINC000458182955 338990977 /nfs/dbraw/zinc/99/09/77/338990977.db2.gz IPRIQBLQPWKHSJ-KRWDZBQOSA-N -1 1 312.413 3.695 20 30 DHEDMM C=CCOc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000511737449 340336712 /nfs/dbraw/zinc/33/67/12/340336712.db2.gz KRABBVXVRSIVTJ-UHFFFAOYSA-N -1 1 323.801 3.706 20 30 DHEDMM O=C([N-]c1cc(F)c(F)cc1F)c1c(F)c(F)cc(F)c1F ZINC000177826287 340443974 /nfs/dbraw/zinc/44/39/74/340443974.db2.gz NYRZDVZILZBRKY-UHFFFAOYSA-N -1 1 323.167 3.913 20 30 DHEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000076935501 341215904 /nfs/dbraw/zinc/21/59/04/341215904.db2.gz WQCFHMHRTUWCEF-UHFFFAOYSA-N -1 1 320.801 3.629 20 30 DHEDMM O=C(C=Cc1cc2ccccc2o1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400032 608093726 /nfs/dbraw/zinc/09/37/26/608093726.db2.gz NHSRKGZVFFTNPI-WAYWQWQTSA-N -1 1 322.349 3.571 20 30 DHEDMM O=C(C=Cc1cc2ccccc2o1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400032 608093727 /nfs/dbraw/zinc/09/37/27/608093727.db2.gz NHSRKGZVFFTNPI-WAYWQWQTSA-N -1 1 322.349 3.571 20 30 DHEDMM Cc1cccc2c1[C@@H](C)C(=Cc1ccc(-c3nn[n-]n3)s1)C2=O ZINC000826305125 608317964 /nfs/dbraw/zinc/31/79/64/608317964.db2.gz LNGJEXOGGMPVPH-XNFYSYIQSA-N -1 1 322.393 3.620 20 30 DHEDMM C=C(Cl)CN[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001573344276 962915171 /nfs/dbraw/zinc/91/51/71/962915171.db2.gz RNJNSYRXARMNHV-GFCCVEGCSA-N -1 1 308.592 3.635 20 30 DHEDMM Cc1ccc(C(=O)/C=C\c2ccc([O-])c(F)c2)cc1[N+](=O)[O-] ZINC000255247158 1014482607 /nfs/dbraw/zinc/48/26/07/1014482607.db2.gz OJZDIFMHJHMMSI-UTCJRWHESA-N -1 1 301.273 3.644 20 30 DHEDMM CC(N=Nc1ccccc1C(=O)[O-])c1cnn(C2CCCC2)c1 ZINC000799873531 978842648 /nfs/dbraw/zinc/84/26/48/978842648.db2.gz RYQGOOQMAIVINI-UHFFFAOYSA-N -1 1 312.373 3.533 20 30 DHEDMM Cc1cc([C@H](NC(=O)c2ccc(C#N)c([O-])c2)C2CC2)ccc1F ZINC000443057842 1014801772 /nfs/dbraw/zinc/80/17/72/1014801772.db2.gz IIBOXWGSEYTTEY-GOSISDBHSA-N -1 1 324.355 3.593 20 30 DHEDMM C#CC1(NCc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CCCC1 ZINC001588379847 983365919 /nfs/dbraw/zinc/36/59/19/983365919.db2.gz UFKXQQFBJJTJJV-UHFFFAOYSA-N -1 1 309.365 3.680 20 30 DHEDMM C=CC[C@H](Oc1[n-]c(=O)ncc1Br)c1ccccc1 ZINC001227139008 1015546336 /nfs/dbraw/zinc/54/63/36/1015546336.db2.gz XPERVJYCGCVUIW-LBPRGKRZSA-N -1 1 321.174 3.641 20 30 DHEDMM C[C@H](NCc1cc(C(=O)[O-])ccc1Cl)c1cccc(C#N)c1 ZINC001593289417 994663521 /nfs/dbraw/zinc/66/35/21/994663521.db2.gz SOKWDNVNYQTMDW-NSHDSACASA-N -1 1 314.772 3.761 20 30 DHEDMM COc1ccc([O-])c(C(=O)/C=C\c2ccc(O[C@H](C)C#N)cc2)c1 ZINC000255420143 1015916547 /nfs/dbraw/zinc/91/65/47/1015916547.db2.gz VRHZTAZVLQOQNG-WYOARUQKSA-N -1 1 323.348 3.588 20 30 DHEDMM C[C@@H]1CCN(Cc2cccc(C(=O)[O-])c2C#N)[C@@H]1c1ccccc1 ZINC001594423801 999583715 /nfs/dbraw/zinc/58/37/15/999583715.db2.gz ICFTYWCKUSIZKP-KUHUBIRLSA-N -1 1 320.392 3.840 20 30 DHEDMM O=C1c2ccc([O-])cc2C/C1=C/c1ccc(OC(F)F)c(F)c1 ZINC000588535043 1017059814 /nfs/dbraw/zinc/05/98/14/1017059814.db2.gz DPOBXPPBNRREMP-WZUFQYTHSA-N -1 1 320.266 3.955 20 30 DHEDMM N#C[C@H]1CC[C@H](NC(=O)c2cccc(-c3ccccc3)c2[O-])CC1 ZINC001148870535 1032449450 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KQUFYMKLCZLZPL-ZROIWOOFSA-N -1 1 311.356 3.810 20 30 DHEDMM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)ccc1C#N ZINC000235763152 1019910600 /nfs/dbraw/zinc/91/06/00/1019910600.db2.gz SLNMRXKUMMGKEK-UHFFFAOYSA-N -1 1 320.801 3.629 20 30 DHEDMM N#Cc1ccc(C(=O)N2CCCCC[C@H]2c2ccco2)cc1[O-] ZINC000188457537 1020404563 /nfs/dbraw/zinc/40/45/63/1020404563.db2.gz PTANRNQIECHBPJ-HNNXBMFYSA-N -1 1 310.353 3.614 20 30 DHEDMM COc1ccc([O-])c(C(=O)/C=C/c2cnc(C(C)C)s2)c1 ZINC000125622689 1032901528 /nfs/dbraw/zinc/90/15/28/1032901528.db2.gz YRCKSCDHHULJCH-FNORWQNLSA-N -1 1 303.383 3.877 20 30 DHEDMM O=C1c2ccc([O-])cc2C/C1=C/c1ccccc1OC(F)F ZINC000187221139 1020510331 /nfs/dbraw/zinc/51/03/31/1020510331.db2.gz HSYKYZQNRYFIQO-GHXNOFRVSA-N -1 1 302.276 3.816 20 30 DHEDMM COc1ccc([O-])c(C(=O)C=Cc2c[nH]c(-c3ccccc3)n2)c1 ZINC000255867078 1020572402 /nfs/dbraw/zinc/57/24/02/1020572402.db2.gz NMOHGSGZBFVALJ-CLFYSBASSA-N -1 1 320.348 3.687 20 30 DHEDMM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2ccc(C#N)c([O-])c2)C1 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N#Cc1ccc(C(=O)N[C@@H](CC2CC2)c2ccccc2)cc1[O-] ZINC000615481475 1022486444 /nfs/dbraw/zinc/48/64/44/1022486444.db2.gz MMNDASWFQBKTOG-KRWDZBQOSA-N -1 1 306.365 3.535 20 30 DHEDMM Cc1cc2ccccc2[nH]c1=NN=Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000776785060 1022566779 /nfs/dbraw/zinc/56/67/79/1022566779.db2.gz CFOJQZFJPLHLEI-UHFFFAOYSA-N -1 1 322.324 3.603 20 30 DHEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc2c3c(cccc31)CC2 ZINC000767013484 1022622871 /nfs/dbraw/zinc/62/28/71/1022622871.db2.gz BQLIQSQQJPPSGB-UHFFFAOYSA-N -1 1 318.380 3.579 20 30 DHEDMM COC(=O)c1ccc(C(=O)/C=C\c2ccc([O-])c(Cl)c2)cc1 ZINC000767737826 1022793694 /nfs/dbraw/zinc/79/36/94/1022793694.db2.gz QHZFTMFDFMEFMW-WAPJZHGLSA-N -1 1 316.740 3.728 20 30 DHEDMM CC(=NNCc1cc(F)ccc1F)c1ccc([O-])c(Cl)c1 ZINC000768772761 1023024302 /nfs/dbraw/zinc/02/43/02/1023024302.db2.gz IJPJIPRYCGTKNM-UHFFFAOYSA-N -1 1 310.731 3.838 20 30 DHEDMM N#CCC[C@H](NC(=O)c1c([O-])cccc1Cl)c1ccccc1 ZINC000770086130 1023274345 /nfs/dbraw/zinc/27/43/45/1023274345.db2.gz BLSVVNJWMOJTKH-AWEZNQCLSA-N -1 1 314.772 3.820 20 30 DHEDMM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1ccc(F)c(C#N)c1 ZINC000770570511 1023324338 /nfs/dbraw/zinc/32/43/38/1023324338.db2.gz DEDKVNFHGJQXSY-PPLKPFPSSA-N -1 1 311.287 3.925 20 30 DHEDMM O=C1c2ccc([O-])cc2O/C1=C/c1cnc(-c2ccco2)s1 ZINC000788096364 1023850648 /nfs/dbraw/zinc/85/06/48/1023850648.db2.gz BEBQUWJRYYAONG-VGOFMYFVSA-N -1 1 311.318 3.725 20 30 DHEDMM O=C(/C=C\c1cnc(-c2ccco2)s1)c1cc(O)ccc1[O-] ZINC000789143035 1024005604 /nfs/dbraw/zinc/00/56/04/1024005604.db2.gz NQAQNNRTXFGZNI-XQRVVYSFSA-N -1 1 313.334 3.710 20 30 DHEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc3ccccc3c2)c1 ZINC000006315948 1024720527 /nfs/dbraw/zinc/72/05/27/1024720527.db2.gz BJPNDGHMKVRHNJ-UHFFFAOYSA-N -1 1 308.362 3.512 20 30 DHEDMM CC(C)[C@H](C#N)c1ccc(NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001170323318 1024741651 /nfs/dbraw/zinc/74/16/51/1024741651.db2.gz WOGQSBOQYOJWHJ-INIZCTEOSA-N -1 1 324.380 3.656 20 30 DHEDMM CCCc1ccccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000475814303 1024790290 /nfs/dbraw/zinc/79/02/90/1024790290.db2.gz WDQDTTNFOHDWDQ-UHFFFAOYSA-N -1 1 314.410 3.506 20 30 DHEDMM CSCc1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cc1 ZINC000041497009 1025404570 /nfs/dbraw/zinc/40/45/70/1025404570.db2.gz DDOPVZDOWYPGJG-AWEZNQCLSA-N -1 1 321.405 3.916 20 30 DHEDMM O=C(/C=C/c1ccc(O)c(Cl)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000136515070 1025452958 /nfs/dbraw/zinc/45/29/58/1025452958.db2.gz ZGMXXLQZMWDITG-DAFODLJHSA-N -1 1 319.700 3.556 20 30 DHEDMM CC(=O)c1csc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)c1 ZINC000355240702 1025652333 /nfs/dbraw/zinc/65/23/33/1025652333.db2.gz UMQPMJNWLALCRU-LBPRGKRZSA-N -1 1 323.377 3.626 20 30 DHEDMM O=C([O-])c1ccc(C(=O)/C=C/C=C/c2ccc(F)cc2)c(O)c1 ZINC000806560687 1025923513 /nfs/dbraw/zinc/92/35/13/1025923513.db2.gz NVJVABRWVCXMPX-ZPUQHVIOSA-N -1 1 312.296 3.682 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccc(NC3CCCC3)c2)c1 ZINC000614298584 1026054916 /nfs/dbraw/zinc/05/49/16/1026054916.db2.gz UVRAHUCQRQVQCC-UHFFFAOYSA-N -1 1 321.380 3.871 20 30 DHEDMM CC(N=Nc1nccnc1C1CCC1)c1ccc([O-])c(Cl)c1 ZINC000807991123 1026168207 /nfs/dbraw/zinc/16/82/07/1026168207.db2.gz GIOUHHITZDJSRO-UHFFFAOYSA-N -1 1 316.792 3.939 20 30 DHEDMM Cc1cccc([C@H]2CCCN2C(=O)c2cc([O-])cc(C#N)c2)c1C ZINC000614370153 1026258604 /nfs/dbraw/zinc/25/86/04/1026258604.db2.gz TYAAJUWFOGHVRW-LJQANCHMSA-N -1 1 320.392 3.858 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)c1 ZINC000614367167 1026259833 /nfs/dbraw/zinc/25/98/33/1026259833.db2.gz YBSLNZGYERVENM-GOSISDBHSA-N -1 1 324.355 3.674 20 30 DHEDMM C[C@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)CC[C@@H]1c1ccccc1 ZINC000614370122 1026259934 /nfs/dbraw/zinc/25/99/34/1026259934.db2.gz ILKCSERJUBKDBU-LIRRHRJNSA-N -1 1 320.392 3.530 20 30 DHEDMM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000614369652 1026260227 /nfs/dbraw/zinc/26/02/27/1026260227.db2.gz FGRSQFRQVXFZAU-RHSMWYFYSA-N -1 1 320.392 3.591 20 30 DHEDMM O=C1c2ccc([O-])cc2C/C1=C\c1cc(O)cc(C(F)(F)F)c1 ZINC000811694601 1027068541 /nfs/dbraw/zinc/06/85/41/1027068541.db2.gz URZGLQUVRIPHMH-QDEBKDIKSA-N -1 1 320.266 3.939 20 30 DHEDMM O=C([O-])c1ccccc1N=NCc1ccc(OC(F)(F)F)cc1 ZINC000812445937 1027299997 /nfs/dbraw/zinc/29/99/97/1027299997.db2.gz HEOMKRSYVRATGB-UHFFFAOYSA-N -1 1 324.258 3.729 20 30 DHEDMM N#CC(=C([O-])C=Cc1ccccc1)c1cc(C(F)(F)F)ccn1 ZINC000813215954 1027563952 /nfs/dbraw/zinc/56/39/52/1027563952.db2.gz DBDGTWNNUONNIS-AFNCTOJWSA-N -1 1 316.282 3.990 20 30 DHEDMM C#CCOc1cc(F)ccc1NCc1cccc(Cl)c1[O-] ZINC000775749564 1028118958 /nfs/dbraw/zinc/11/89/58/1028118958.db2.gz SYDIAPOIGCDQKY-UHFFFAOYSA-N -1 1 305.736 3.809 20 30 DHEDMM CC(C)(C)n1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)cn1 ZINC000048859250 1028274351 /nfs/dbraw/zinc/27/43/51/1028274351.db2.gz XFASLGIZGCXKOP-HNNXBMFYSA-N -1 1 318.380 3.676 20 30 DHEDMM [O-]c1cccc(C=NNc2ccc(F)c(F)c2F)c1Cl ZINC000814946740 1028305546 /nfs/dbraw/zinc/30/55/46/1028305546.db2.gz WHYXVMZVNOIRKI-UHFFFAOYSA-N -1 1 300.667 3.909 20 30 DHEDMM C[C@H](C#N)Oc1ccccc1NCc1cccc([O-])c1Cl ZINC000815135019 1028393222 /nfs/dbraw/zinc/39/32/22/1028393222.db2.gz NUTLJQMERCSBNP-LLVKDONJSA-N -1 1 302.761 3.949 20 30 DHEDMM N#CCOc1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816565035 1028945654 /nfs/dbraw/zinc/94/56/54/1028945654.db2.gz ZFFCZHPWWSORGN-UHFFFAOYSA-N -1 1 306.724 3.699 20 30 DHEDMM CCN(C)C(=O)c1cccc(N[C@H](C)c2cccc(C#N)c2[O-])c1 ZINC000866355950 1030250054 /nfs/dbraw/zinc/25/00/54/1030250054.db2.gz HKJGVOYCKZCKGH-CYBMUJFWSA-N -1 1 323.396 3.529 20 30 DHEDMM CCC(N=Nc1nc2ccccc2c(=O)[n-]1)c1cccc(C)c1 ZINC000794918538 1030298485 /nfs/dbraw/zinc/29/84/85/1030298485.db2.gz IVWJYKSBJMPFJZ-UHFFFAOYSA-N -1 1 306.369 3.870 20 30 DHEDMM Cc1ccccc1-n1nccc1/C=C/C(=O)c1ccc([O-])cc1 ZINC000794925873 1030328826 /nfs/dbraw/zinc/32/88/26/1030328826.db2.gz FRZGOPXGCVVVQP-DHZHZOJOSA-N -1 1 304.349 3.782 20 30 DHEDMM COC(=O)c1ccc(Cl)c(/C=C\C(=O)c2ccc([O-])cc2)c1 ZINC000794927052 1030339812 /nfs/dbraw/zinc/33/98/12/1030339812.db2.gz OMBCMADLRXAEBD-UITAMQMPSA-N -1 1 316.740 3.728 20 30 DHEDMM C[C@@H](CCC1CCCCC1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC001136774287 1030386115 /nfs/dbraw/zinc/38/61/15/1030386115.db2.gz WPYVKFBDJSOIPA-ZDUSSCGKSA-N -1 1 300.402 3.743 20 30 DHEDMM O=C1c2cc(O)ccc2CC/C1=C\c1ccc([O-])c(Cl)c1 ZINC000794960447 1030451712 /nfs/dbraw/zinc/45/17/12/1030451712.db2.gz RXGMJQSCDDIOHM-KPKJPENVSA-N -1 1 300.741 3.964 20 30 DHEDMM C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000928387810 1031299947 /nfs/dbraw/zinc/29/99/47/1031299947.db2.gz RWQIPVPKBNEUES-AUUYWEPGSA-N -1 1 320.392 3.672 20 30 DHEDMM [O-]c1ccc(F)c(C=NN=c2[nH]c3ccccc3s2)c1F ZINC000794445786 1033922403 /nfs/dbraw/zinc/92/24/03/1033922403.db2.gz QPHSFZWXTVAKPD-UHFFFAOYSA-N -1 1 305.309 3.726 20 30 DHEDMM N#Cc1ccc(NN=Cc2c(F)ccc([O-])c2F)cc1Cl ZINC000794534604 1034127463 /nfs/dbraw/zinc/12/74/63/1034127463.db2.gz KDKFCDVLPQKUNA-UHFFFAOYSA-N -1 1 307.687 3.641 20 30 DHEDMM O=C(C=Cc1ccc([O-])c(Cl)c1)c1ccc2[nH]c(=O)oc2c1 ZINC000794714636 1034428378 /nfs/dbraw/zinc/42/83/78/1034428378.db2.gz KBERVQFZIKDGNV-ORCRQEGFSA-N -1 1 315.712 3.789 20 30 DHEDMM O=C(/C=C/c1ccc([O-])c(Cl)c1)c1ccnn1C1CCC1 ZINC000899397972 1034634845 /nfs/dbraw/zinc/63/48/45/1034634845.db2.gz YCRKVUVBPLUBSV-FNORWQNLSA-N -1 1 302.761 3.863 20 30 DHEDMM N#Cc1ccc2c(c1)CCCCC2N=Nc1ccc(C(=O)[O-])cc1 ZINC000794845510 1034685341 /nfs/dbraw/zinc/68/53/41/1034685341.db2.gz QHCTZOMBICUJCO-UHFFFAOYSA-N -1 1 319.364 3.799 20 30 DHEDMM CCOc1cc([N-]c2onc(C(C)(C)C)c2C#N)c(F)cn1 ZINC001176600481 1035307816 /nfs/dbraw/zinc/30/78/16/1035307816.db2.gz QQVUQKMLDXZPLV-UHFFFAOYSA-N -1 1 304.325 3.520 20 30 DHEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccc2ccccc21 ZINC000442900444 1035705677 /nfs/dbraw/zinc/70/56/77/1035705677.db2.gz MTRLOPUKSJZJLK-ZDUSSCGKSA-N -1 1 316.360 3.908 20 30 DHEDMM O=C(N([O-])Cc1cc(Cl)cc(Cl)c1)C1(F)CCCC1 ZINC001184234822 1036783329 /nfs/dbraw/zinc/78/33/29/1036783329.db2.gz DPMRDUVEFUMAFV-UHFFFAOYSA-N -1 1 306.164 3.994 20 30 DHEDMM C[C@H](C(=O)Nc1ccc(C#N)cc1[O-])c1ccccc1Cl ZINC001184476263 1036855331 /nfs/dbraw/zinc/85/53/31/1036855331.db2.gz IKMSGIFYUJMSLU-JTQLQIEISA-N -1 1 300.745 3.659 20 30 DHEDMM Cc1c(Cl)cccc1NC(=O)Nc1ccc([O-])c(C#N)c1 ZINC001184682428 1036938801 /nfs/dbraw/zinc/93/88/01/1036938801.db2.gz DTHAFYVMDSPLMS-UHFFFAOYSA-N -1 1 301.733 3.870 20 30 DHEDMM O=C(/C=C/c1ccc([O-])c(Br)c1)c1cncc(F)c1 ZINC000150948139 1037644551 /nfs/dbraw/zinc/64/45/51/1037644551.db2.gz JBGITMRECQZXLU-HNQUOIGGSA-N -1 1 322.133 3.585 20 30 DHEDMM N#Cc1cc(NC(=O)Nc2ccc(F)c(Cl)c2)ccc1[O-] ZINC001187699792 1037702923 /nfs/dbraw/zinc/70/29/23/1037702923.db2.gz MIPPANRCRJIMIK-UHFFFAOYSA-N -1 1 305.696 3.700 20 30 DHEDMM Cc1cc(C=NNc2ccc(C(=O)[O-])cc2)c(C)n1CC(C)C ZINC000916240408 1037714152 /nfs/dbraw/zinc/71/41/52/1037714152.db2.gz BBFGTCWHLYGBAO-UHFFFAOYSA-N -1 1 313.401 3.905 20 30 DHEDMM CCSc1ccccc1C(C)N=Nc1ccc(C(=O)[O-])cn1 ZINC000763369596 1037752551 /nfs/dbraw/zinc/75/25/51/1037752551.db2.gz YLNABNLKHDTWPR-UHFFFAOYSA-N -1 1 315.398 3.728 20 30 DHEDMM CCCCCCCCS(=O)(=O)[N-]c1cccc2cnn(C)c21 ZINC001188013442 1037786116 /nfs/dbraw/zinc/78/61/16/1037786116.db2.gz YLSGCBXMJSDOPB-UHFFFAOYSA-N -1 1 323.462 3.676 20 30 DHEDMM COc1cccc(NC(=O)c2c(C)ccc(C(C)C)c2[O-])c1C#N ZINC001188180788 1037839092 /nfs/dbraw/zinc/83/90/92/1037839092.db2.gz BXZPNMDLIBBJHB-UHFFFAOYSA-N -1 1 324.380 3.957 20 30 DHEDMM CCCCCCCCCCS(=O)(=O)[N-]c1cn(CC)cn1 ZINC001201834400 1037914980 /nfs/dbraw/zinc/91/49/80/1037914980.db2.gz NOGJPBBOSKFZPE-UHFFFAOYSA-N -1 1 315.483 3.785 20 30 DHEDMM Cc1ccc(Cl)cc1NC(=O)Nc1ccc(C#N)cc1[O-] ZINC001188734029 1037973156 /nfs/dbraw/zinc/97/31/56/1037973156.db2.gz QHOWQTGVQPLZQR-UHFFFAOYSA-N -1 1 301.733 3.870 20 30 DHEDMM CC(F)(F)c1ccc(C(=O)Nc2ccc(C#N)cc2[O-])cc1 ZINC001190517091 1038334887 /nfs/dbraw/zinc/33/48/87/1038334887.db2.gz PAVKABKLCHKBDK-UHFFFAOYSA-N -1 1 302.280 3.628 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)N[C@H](CC2CC2)c2ccccc2)c1 ZINC000589184314 1038445121 /nfs/dbraw/zinc/44/51/21/1038445121.db2.gz PAWNSXGRELJFLG-GOSISDBHSA-N -1 1 306.365 3.535 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccnc(-c3ccccc3)c2)c1 ZINC000589181245 1038445489 /nfs/dbraw/zinc/44/54/89/1038445489.db2.gz XUGDRBGFCXMDGD-UHFFFAOYSA-N -1 1 315.332 3.578 20 30 DHEDMM N#CC(=C([O-])c1ccc2c(c1)OCO2)c1nc2ccccc2s1 ZINC000046441565 1039634260 /nfs/dbraw/zinc/63/42/60/1039634260.db2.gz DLVJYKNTNDUUDN-LLVKDONJSA-N -1 1 322.345 3.515 20 30 DHEDMM CC(C)C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccs1 ZINC000442952779 338440025 /nfs/dbraw/zinc/44/00/25/338440025.db2.gz UGSPAFGDXKUXET-CQSZACIVSA-N -1 1 314.410 3.843 20 30 DHEDMM N#Cc1ccc(C(=O)N2CCC[C@@H]2CCc2ccccc2)cc1[O-] ZINC000190759792 335088612 /nfs/dbraw/zinc/08/86/12/335088612.db2.gz WXWRUFZJBSUTOS-GOSISDBHSA-N -1 1 320.392 3.501 20 30 DHEDMM C=C(C)[C@@H](NC(=O)c1ccc([O-])cc1F)c1ccc(F)c(F)c1 ZINC000184852134 333368126 /nfs/dbraw/zinc/36/81/26/333368126.db2.gz GAAVCKULGGWRGV-MRXNPFEDSA-N -1 1 321.298 3.857 20 30 DHEDMM CC1(C)CCCN(C(=O)c2cc3ccccc3cc2[O-])[C@H]1C#N ZINC000278044686 334092604 /nfs/dbraw/zinc/09/26/04/334092604.db2.gz VHNAMZJWXZCBLA-KRWDZBQOSA-N -1 1 308.381 3.700 20 30 DHEDMM Cc1c(=O)[n-]c(S[C@H]2CC[C@@H](C#N)C2)nc1-c1ccccc1 ZINC000278667454 334099367 /nfs/dbraw/zinc/09/93/67/334099367.db2.gz XPODNSDIIPEATG-OCCSQVGLSA-N -1 1 311.410 3.942 20 30 DHEDMM N#C[C@@]1(c2nc(-c3ccc([O-])cc3Cl)no2)CC12CCCC2 ZINC000297137456 334239747 /nfs/dbraw/zinc/23/97/47/334239747.db2.gz ZGEKVPWJFTYXND-MRXNPFEDSA-N -1 1 315.760 3.821 20 30 DHEDMM N#Cc1cccc([N-]S(=O)(=O)c2cccc3ccccc32)c1 ZINC000033613443 335693697 /nfs/dbraw/zinc/69/36/97/335693697.db2.gz IRGMFVWFIXPYHU-UHFFFAOYSA-N -1 1 308.362 3.512 20 30 DHEDMM CCc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)sc1C ZINC000123454193 337048410 /nfs/dbraw/zinc/04/84/10/337048410.db2.gz VYFDPQREVFSQQZ-ZDUSSCGKSA-N -1 1 323.421 3.996 20 30 DHEDMM CC(=Cc1cc(Cl)cc(Cl)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000193611631 337078598 /nfs/dbraw/zinc/07/85/98/337078598.db2.gz NNLJRPJKKQZQQO-BAQGIRSFSA-N -1 1 320.179 3.817 20 30 DHEDMM N#CCc1ccccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000564047611 337449693 /nfs/dbraw/zinc/44/96/93/337449693.db2.gz IBYSEYVESJPOEB-UHFFFAOYSA-N -1 1 302.333 3.864 20 30 DHEDMM N#CC[C@H](Cc1nc(-c2ccc([O-])cc2F)no1)c1ccccc1 ZINC000436877890 338291369 /nfs/dbraw/zinc/29/13/69/338291369.db2.gz IGOWICNZLGELME-CYBMUJFWSA-N -1 1 323.327 3.821 20 30 DHEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000458035202 338986607 /nfs/dbraw/zinc/98/66/07/338986607.db2.gz XWBAHKYJNYVLBW-QZTJIDSGSA-N -1 1 320.392 3.672 20 30 DHEDMM Cc1c(C#N)cccc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000192237510 340564982 /nfs/dbraw/zinc/56/49/82/340564982.db2.gz FKSAZRFEICPADW-UHFFFAOYSA-N -1 1 301.733 3.870 20 30 DHEDMM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000545353170 341122818 /nfs/dbraw/zinc/12/28/18/341122818.db2.gz BBDBZRLDSDRAQG-SSDOTTSWSA-N -1 1 314.259 3.688 20 30 DHEDMM N#CCc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000549715734 341301179 /nfs/dbraw/zinc/30/11/79/341301179.db2.gz QNDPJKKWSNVJRB-UHFFFAOYSA-N -1 1 320.270 3.729 20 30 DHEDMM C[C@@](C#N)(NC(=O)c1ccc(Cl)cc1[O-])C1CCCCC1 ZINC000550747298 341322386 /nfs/dbraw/zinc/32/23/86/341322386.db2.gz BQZJIKWGEFWQTL-INIZCTEOSA-N -1 1 306.793 3.638 20 30 DHEDMM C=C(C)COc1cccc(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000574676360 341765531 /nfs/dbraw/zinc/76/55/31/341765531.db2.gz XGSULAFUHAOKPP-UHFFFAOYSA-N -1 1 319.307 3.878 20 30 DHEDMM CC(=NNc1nc2ccccc2s1)c1ccc(C(=O)[O-])cc1 ZINC000825809517 604632959 /nfs/dbraw/zinc/63/29/59/604632959.db2.gz YEUWNMBEOILIBJ-UHFFFAOYSA-N -1 1 311.366 3.831 20 30 DHEDMM Cc1cc(C)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1C ZINC000822193385 606389029 /nfs/dbraw/zinc/38/90/29/606389029.db2.gz VTLNNXONSFVMOO-GQCTYLIASA-N -1 1 324.409 3.750 20 30 DHEDMM O=C(C=Cc1coc2ccccc12)c1ccc(-c2nnn[n-]2)s1 ZINC000826403349 608093139 /nfs/dbraw/zinc/09/31/39/608093139.db2.gz PRWPNCSSPRBFGA-WAYWQWQTSA-N -1 1 322.349 3.571 20 30 DHEDMM O=C(C=Cc1coc2ccccc12)c1ccc(-c2nn[n-]n2)s1 ZINC000826403349 608093140 /nfs/dbraw/zinc/09/31/40/608093140.db2.gz PRWPNCSSPRBFGA-WAYWQWQTSA-N -1 1 322.349 3.571 20 30 DHEDMM O=C(C=Cc1cscc1Cl)c1ccc(-c2nnn[n-]2)s1 ZINC000826403461 608093344 /nfs/dbraw/zinc/09/33/44/608093344.db2.gz SRAKAJHXKACZIU-OWOJBTEDSA-N -1 1 322.802 3.539 20 30 DHEDMM O=C(C=Cc1cscc1Cl)c1ccc(-c2nn[n-]n2)s1 ZINC000826403461 608093345 /nfs/dbraw/zinc/09/33/45/608093345.db2.gz SRAKAJHXKACZIU-OWOJBTEDSA-N -1 1 322.802 3.539 20 30 DHEDMM C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccc([O-])c(Cl)c1 ZINC000067438656 1014409805 /nfs/dbraw/zinc/40/98/05/1014409805.db2.gz OUMBGURTHIDFSX-INIZCTEOSA-N -1 1 314.772 3.798 20 30 DHEDMM COc1cc(C(=O)[O-])ccc1NN=C(C)c1sccc1C ZINC000756899000 978700420 /nfs/dbraw/zinc/70/04/20/978700420.db2.gz KZBOMBWUTBSZJG-UHFFFAOYSA-N -1 1 304.371 3.599 20 30 DHEDMM COc1cc(C(=O)[O-])ccc1N=NC(C)c1cc(F)cc(F)c1 ZINC000756899016 978700700 /nfs/dbraw/zinc/70/07/00/978700700.db2.gz LQDAVDKUMNHAHV-UHFFFAOYSA-N -1 1 320.295 3.508 20 30 DHEDMM Cc1ccc([O-])c(C(=O)/C=C\c2ccc(O[C@H](C)C#N)cc2)c1 ZINC000255267390 1014558692 /nfs/dbraw/zinc/55/86/92/1014558692.db2.gz ROWZLLWAKZOVIZ-LBIZBFCRSA-N -1 1 307.349 3.888 20 30 DHEDMM CCC(CC)CCCN(C)Cc1cccc(C(=O)[O-])c1C#N ZINC001595109875 979448245 /nfs/dbraw/zinc/44/82/45/979448245.db2.gz PMAALBBCNHENSC-UHFFFAOYSA-N -1 1 302.418 3.905 20 30 DHEDMM Cc1cccc(CN(CC(C)C)C(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000442953250 1014774391 /nfs/dbraw/zinc/77/43/91/1014774391.db2.gz WWNILPMOOWSDEH-UHFFFAOYSA-N -1 1 322.408 3.871 20 30 DHEDMM C=C[C@H](N[C@@H](c1c(Cl)cccc1Cl)C1CC1)C(=O)[O-] ZINC001588695774 983901834 /nfs/dbraw/zinc/90/18/34/983901834.db2.gz KYDVJNUUOGSFNA-WCQYABFASA-N -1 1 300.185 3.673 20 30 DHEDMM O=C(/C=C\c1ccc(Oc2cnccn2)cc1)c1ccc([O-])cc1 ZINC000255414537 1015781473 /nfs/dbraw/zinc/78/14/73/1015781473.db2.gz OMDLPRGHUSMGEK-KMKOMSMNSA-N -1 1 318.332 3.871 20 30 DHEDMM N#Cc1cc(NC(=O)c2cc3ccccc3cc2[O-])ccc1F ZINC000320281860 1016074499 /nfs/dbraw/zinc/07/44/99/1016074499.db2.gz OCUIGDMKIQYHRR-UHFFFAOYSA-N -1 1 306.296 3.808 20 30 DHEDMM C[C@@H](c1ccccc1)N(C(=O)c1ccc(C#N)c([O-])c1)C1CC1 ZINC000342723247 1017097250 /nfs/dbraw/zinc/09/72/50/1017097250.db2.gz ONKKMEWHIBUDMY-ZDUSSCGKSA-N -1 1 306.365 3.630 20 30 DHEDMM C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000342763369 1017194277 /nfs/dbraw/zinc/19/42/77/1017194277.db2.gz ZJSBIMPSFFWZNG-KDOFPFPSSA-N -1 1 320.392 3.877 20 30 DHEDMM CCC(=NNc1cccc([N+](=O)[O-])c1C)c1ccc([O-])c(F)c1 ZINC000764690376 1018351798 /nfs/dbraw/zinc/35/17/98/1018351798.db2.gz OMDCJXOOIOKNHI-UHFFFAOYSA-N -1 1 317.320 3.974 20 30 DHEDMM CC(N=Nc1ncnc2ccsc21)c1cc(F)cc(F)c1[O-] ZINC000764835811 1018398975 /nfs/dbraw/zinc/39/89/75/1018398975.db2.gz SHIRNEIOJJCTTE-UHFFFAOYSA-N -1 1 320.324 3.511 20 30 DHEDMM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000527198764 1018534391 /nfs/dbraw/zinc/53/43/91/1018534391.db2.gz SJKYTHBDVFPSCX-UHFFFAOYSA-N -1 1 322.408 3.834 20 30 DHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(C2CC2)cc1 ZINC000611305051 1019437034 /nfs/dbraw/zinc/43/70/34/1019437034.db2.gz BWFGWIOFGJNQIP-UHFFFAOYSA-N -1 1 312.394 3.545 20 30 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O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1coc2ccccc12 ZINC000826399883 607646890 /nfs/dbraw/zinc/64/68/90/607646890.db2.gz JAIIGLLXLWWUOR-ALCCZGGFSA-N -1 1 322.349 3.571 20 30 DHEDMM CCCCCCCN=Nc1oc(C(C)(C)C)nc1-c1nn[n-]n1 ZINC000825272104 607887614 /nfs/dbraw/zinc/88/76/14/607887614.db2.gz VBPBSONDVBWLFM-UHFFFAOYSA-N -1 1 319.413 3.520 20 30 DHEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(C#N)cc2)s1 ZINC000430609581 1013619001 /nfs/dbraw/zinc/61/90/01/1013619001.db2.gz HOLACKBZYTZVEN-ZDUSSCGKSA-N -1 1 309.394 3.802 20 30 DHEDMM CCOc1ccc(F)c([N-]C(=O)c2sccc2C#N)c1F ZINC000340458053 1013813557 /nfs/dbraw/zinc/81/35/57/1013813557.db2.gz XQPIPICWLJBFDM-UHFFFAOYSA-N -1 1 308.309 3.549 20 30 DHEDMM O=C1c2ccc([O-])cc2O/C1=C\c1csc(-c2ccccn2)n1 ZINC000255210002 1014201622 /nfs/dbraw/zinc/20/16/22/1014201622.db2.gz CZFAQGYNHGIVNC-CHHVJCJISA-N -1 1 322.345 3.527 20 30 DHEDMM O=C(/C=C/c1cc(O)ccc1Br)c1ccc([O-])cc1 ZINC000178985097 1014382772 /nfs/dbraw/zinc/38/27/72/1014382772.db2.gz OGIXESNLCMCXOZ-FPYGCLRLSA-N -1 1 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O=C(Nc1cccc(C#Cc2cccs2)c1)c1cncc([O-])c1 ZINC000600937240 1027912891 /nfs/dbraw/zinc/91/28/91/1027912891.db2.gz UUUOJELBHKQDIL-UHFFFAOYSA-N -1 1 320.373 3.501 20 30 DHEDMM Cn1nccc1-c1ccccc1/C=C/C(=O)c1ccc([O-])cc1 ZINC000814186702 1027941392 /nfs/dbraw/zinc/94/13/92/1027941392.db2.gz NENAYGOEVFQSOK-DHZHZOJOSA-N -1 1 304.349 3.689 20 30 DHEDMM [O-]c1cccc(C=NNCc2cnc3ccccc3c2)c1Cl ZINC000814877341 1028257445 /nfs/dbraw/zinc/25/74/45/1028257445.db2.gz VSLBYRYVIMPFKG-UHFFFAOYSA-N -1 1 311.772 3.718 20 30 DHEDMM Cc1cc([N+](=O)[O-])ccc1NN=Cc1cccc([O-])c1Cl ZINC000814930999 1028290020 /nfs/dbraw/zinc/29/00/20/1028290020.db2.gz BPFWXGKNRVBECF-UHFFFAOYSA-N -1 1 305.721 3.708 20 30 DHEDMM Cc1csc(C(C#N)=C([O-])c2ccc(COC(C)C)cc2)n1 ZINC000041517749 1028741205 /nfs/dbraw/zinc/74/12/05/1028741205.db2.gz MASZIMHYKCJDCQ-OAHLLOKOSA-N -1 1 314.410 3.867 20 30 DHEDMM CCc1nc(SCC#Cc2ccc(Cl)cc2)[n-]c(=O)c1C ZINC000568271774 1029035600 /nfs/dbraw/zinc/03/56/00/1029035600.db2.gz IUBCYWXYLLSYSZ-UHFFFAOYSA-N -1 1 318.829 3.850 20 30 DHEDMM Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc(C)c1F ZINC000190930676 1029215155 /nfs/dbraw/zinc/21/51/55/1029215155.db2.gz YTHOZIWDVRSEOO-CQSZACIVSA-N -1 1 319.339 3.876 20 30 DHEDMM COCc1ccc(N[C@@H](C)c2cccc(C#N)c2[O-])cc1OC ZINC000866398576 1030278693 /nfs/dbraw/zinc/27/86/93/1030278693.db2.gz OTYANEWRRXLQNY-LBPRGKRZSA-N -1 1 312.369 3.592 20 30 DHEDMM CC[C@@H](Nc1ccc2c(c1)C[C@H](OC)C2)c1cccc(C#N)c1[O-] ZINC000926167201 1030640560 /nfs/dbraw/zinc/64/05/60/1030640560.db2.gz RXTJUQMKIUWCER-IEBWSBKVSA-N -1 1 322.408 3.941 20 30 DHEDMM C=C1CCC(C(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000897577049 1031640278 /nfs/dbraw/zinc/64/02/78/1031640278.db2.gz QXGHRODEXMOVDN-UHFFFAOYSA-N -1 1 324.218 3.517 20 30 DHEDMM Cc1ccc([O-])c(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2F)c1 ZINC000777918103 1031879992 /nfs/dbraw/zinc/87/99/92/1031879992.db2.gz ISFMGATURMRGRX-DAXSKMNVSA-N -1 1 301.273 3.644 20 30 DHEDMM C=CCCCCCCCCC(=O)Nc1ncc(C(=O)OCC)[n-]1 ZINC001144794846 1031968771 /nfs/dbraw/zinc/96/87/71/1031968771.db2.gz SEZLQBHCPLIPGV-UHFFFAOYSA-N -1 1 321.421 3.832 20 30 DHEDMM C=CCCCCCCCCC(=O)Nc1nc(C(=O)OCC)c[n-]1 ZINC001144794846 1031968777 /nfs/dbraw/zinc/96/87/77/1031968777.db2.gz SEZLQBHCPLIPGV-UHFFFAOYSA-N -1 1 321.421 3.832 20 30 DHEDMM Cc1csc(C(C#N)=C([O-])c2ccc(C(C)(C)C#N)cc2)n1 ZINC000361648379 1032035160 /nfs/dbraw/zinc/03/51/60/1032035160.db2.gz QOMWLIVNHKYVKG-AWEZNQCLSA-N -1 1 309.394 3.743 20 30 DHEDMM Cc1nc(SCc2ccc(Cl)cc2C#N)[n-]c(=O)c1C ZINC000479123397 1033670105 /nfs/dbraw/zinc/67/01/05/1033670105.db2.gz IXMZRYMOHRDEQV-UHFFFAOYSA-N -1 1 305.790 3.616 20 30 DHEDMM COc1ccc(C(=O)/C=C/c2ccc([O-])c(F)c2)c(C)c1OC ZINC000794741530 1034437364 /nfs/dbraw/zinc/43/73/64/1034437364.db2.gz WNARHGRGMHLRLO-QPJJXVBHSA-N -1 1 316.328 3.753 20 30 DHEDMM Cc1nc(SCc2ccc(F)cc2C#N)[n-]c(=O)c1C1CC1 ZINC000865373233 1034613209 /nfs/dbraw/zinc/61/32/09/1034613209.db2.gz LMWHMMGVAGTFMJ-UHFFFAOYSA-N -1 1 315.373 3.671 20 30 DHEDMM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(-c2ccccc2)c(Cl)c1 ZINC001193158056 1035581349 /nfs/dbraw/zinc/58/13/49/1035581349.db2.gz KZFUTDZXOSXZBX-NSHDSACASA-N -1 1 320.801 3.661 20 30 DHEDMM CCCCCCCOC(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC001194008949 1035796216 /nfs/dbraw/zinc/79/62/16/1035796216.db2.gz JQKRQBUOZFZVRX-UHFFFAOYSA-N -1 1 309.362 3.698 20 30 DHEDMM CCCCCCC[C@@H](C)C(=O)Nc1ncc(C(=O)OCC)[n-]1 ZINC001181112758 1035833694 /nfs/dbraw/zinc/83/36/94/1035833694.db2.gz UKQQXIBTEWIZPR-GFCCVEGCSA-N -1 1 309.410 3.522 20 30 DHEDMM CCCCCCC[C@@H](C)C(=O)Nc1nc(C(=O)OCC)c[n-]1 ZINC001181112758 1035833714 /nfs/dbraw/zinc/83/37/14/1035833714.db2.gz UKQQXIBTEWIZPR-GFCCVEGCSA-N -1 1 309.410 3.522 20 30 DHEDMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccccc2CC#N)c1 ZINC000193360138 1035869352 /nfs/dbraw/zinc/86/93/52/1035869352.db2.gz BOMVIKPCCOEUSJ-UHFFFAOYSA-N -1 1 314.410 3.677 20 30 DHEDMM CCCCCCCCS(=O)(=O)c1n[n-]c(-c2ccccc2)n1 ZINC000774009000 1036118863 /nfs/dbraw/zinc/11/88/63/1036118863.db2.gz NTBHDEPOUKHENX-UHFFFAOYSA-N -1 1 321.446 3.606 20 30 DHEDMM N#C[C@@]1(C(=O)Nc2ccc([O-])c(Cl)c2)CC2CCC1CC2 ZINC000907096918 1036141392 /nfs/dbraw/zinc/14/13/92/1036141392.db2.gz IMLFLLVVSCGWET-PRDDCLIZSA-N -1 1 304.777 3.704 20 30 DHEDMM N#Cc1cc(C(=O)Nc2ccc(Cl)cc2[O-])ccc1Cl ZINC000541834041 1036437022 /nfs/dbraw/zinc/43/70/22/1036437022.db2.gz XBUGCYSLFRJBER-UHFFFAOYSA-N -1 1 307.136 3.823 20 30 DHEDMM Cc1cccc(Cl)c1NC(=O)Nc1scc([O-])c1C#N ZINC001183718721 1036658424 /nfs/dbraw/zinc/65/84/24/1036658424.db2.gz JTVQOYPWNBWGIF-UHFFFAOYSA-N -1 1 307.762 3.931 20 30 DHEDMM Cc1cccc(Cl)c1NC(=O)Nc1ccc(C#N)cc1[O-] ZINC001184540167 1036865010 /nfs/dbraw/zinc/86/50/10/1036865010.db2.gz BEFUNGLMZYRHMX-UHFFFAOYSA-N -1 1 301.733 3.870 20 30 DHEDMM CCc1c2cc(C)ccc2oc1C(C)=NNc1nc(C)cc(=O)[n-]1 ZINC000916241886 1037719679 /nfs/dbraw/zinc/71/96/79/1037719679.db2.gz ZECCYPDLLCOHRW-UHFFFAOYSA-N -1 1 324.384 3.944 20 30 DHEDMM CCCCCCCCS(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC001187992623 1037773090 /nfs/dbraw/zinc/77/30/90/1037773090.db2.gz QLRXEQXCFADOGF-UHFFFAOYSA-N -1 1 304.843 3.837 20 30 DHEDMM CCCCCCCCS(=O)(=O)[N-]c1cnccc1OCC ZINC001187994250 1037774041 /nfs/dbraw/zinc/77/40/41/1037774041.db2.gz HARHCNKTWMQIOV-UHFFFAOYSA-N -1 1 314.451 3.583 20 30 DHEDMM COc1ccc(C#N)c(C(=O)Nc2cc3ccccc3cc2[O-])c1 ZINC001189083866 1038069943 /nfs/dbraw/zinc/06/99/43/1038069943.db2.gz BOFJTEQBXCCODK-UHFFFAOYSA-N -1 1 318.332 3.678 20 30 DHEDMM C=C(C)c1ccccc1[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC001189232502 1038093509 /nfs/dbraw/zinc/09/35/09/1038093509.db2.gz QMGMWXGNOCGOCO-UHFFFAOYSA-N -1 1 315.394 3.723 20 30 DHEDMM Cc1ccc([C@@H]2CCCN2C(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000589168324 1038437211 /nfs/dbraw/zinc/43/72/11/1038437211.db2.gz KAXAADUPCLZVJC-SFHVURJKSA-N -1 1 306.365 3.550 20 30 DHEDMM CC(C)C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1cccs1 ZINC000589169805 1038437395 /nfs/dbraw/zinc/43/73/95/1038437395.db2.gz IKTYUNJDNUEFDH-HNNXBMFYSA-N -1 1 314.410 3.843 20 30 DHEDMM CC(C)c1nc2cc(NC(=O)c3cc([O-])cc(C#N)c3)ccc2o1 ZINC000589168519 1038437497 /nfs/dbraw/zinc/43/74/97/1038437497.db2.gz WEIHHEBKMGAJPI-UHFFFAOYSA-N -1 1 321.336 3.781 20 30 DHEDMM Cc1cccc(CN(CC(C)C)C(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000589182204 1038445222 /nfs/dbraw/zinc/44/52/22/1038445222.db2.gz UUQRAARSNYOIGB-UHFFFAOYSA-N -1 1 322.408 3.871 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)c1 ZINC000589190012 1038446878 /nfs/dbraw/zinc/44/68/78/1038446878.db2.gz KMYPJRDOTWGJRP-SFHVURJKSA-N -1 1 324.355 3.770 20 30 DHEDMM CCCCCCCNC(=O)Nc1cc2ccc([O-])cc2oc1=O ZINC001191086814 1038447612 /nfs/dbraw/zinc/44/76/12/1038447612.db2.gz QBQQEFBLBMDCBB-UHFFFAOYSA-N -1 1 318.373 3.591 20 30 DHEDMM CC(C)(C)Cc1csc(NC(=O)c2cc([O-])cc(C#N)c2)n1 ZINC000589196498 1038447961 /nfs/dbraw/zinc/44/79/61/1038447961.db2.gz JKFXLFOLQYKLNT-UHFFFAOYSA-N -1 1 315.398 3.561 20 30 DHEDMM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589527179 1038500246 /nfs/dbraw/zinc/50/02/46/1038500246.db2.gz IZTMHKHLTWONFJ-IUODEOHRSA-N -1 1 300.402 3.551 20 30 DHEDMM Cc1cc(NC(=O)Nc2c([O-])cccc2C#N)ccc1Cl ZINC001191770873 1038537153 /nfs/dbraw/zinc/53/71/53/1038537153.db2.gz AUABDRQHWIVFAW-UHFFFAOYSA-N -1 1 301.733 3.870 20 30 DHEDMM CC1(C)CCC[C@H]1[C@H]1CCN(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000592869968 1039297210 /nfs/dbraw/zinc/29/72/10/1039297210.db2.gz APJYTEBIQOHJPK-YOEHRIQHSA-N -1 1 312.413 3.552 20 30 DHEDMM CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000592875379 1039297895 /nfs/dbraw/zinc/29/78/95/1039297895.db2.gz XATFCFRYTDJCOX-JKSUJKDBSA-N -1 1 312.413 3.552 20 30 DHEDMM CCCc1c(C)[n-]n(-c2ccc(C#N)c(C(F)(F)F)c2)c1=O ZINC000601941359 1040840992 /nfs/dbraw/zinc/84/09/92/1040840992.db2.gz VNMMVLDCSFEJPZ-LBPRGKRZSA-N -1 1 309.291 3.716 20 30 DHEDMM CCCC1CCC(N(C)C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000192266031 335024960 /nfs/dbraw/zinc/02/49/60/335024960.db2.gz VFNGGLKVBGEUTN-UHFFFAOYSA-N -1 1 300.402 3.695 20 30 DHEDMM CC(C)(C#N)CCCCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000289555892 334166474 /nfs/dbraw/zinc/16/64/74/334166474.db2.gz PCTRLUGCYZZYEQ-UHFFFAOYSA-N -1 1 301.362 3.932 20 30 DHEDMM CCOc1ccccc1[C@@H](CC)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000187913729 334369148 /nfs/dbraw/zinc/36/91/48/334369148.db2.gz FAUQZOHEIGZNAC-MRXNPFEDSA-N -1 1 324.380 3.544 20 30 DHEDMM N#Cc1ccc(C(=O)N2CCC[C@@H]2/C=C\c2ccccc2)cc1[O-] ZINC000443131873 338445379 /nfs/dbraw/zinc/44/53/79/338445379.db2.gz LFPBNQJDTJEHPI-IBWPDUFMSA-N -1 1 318.376 3.582 20 30 DHEDMM N#Cc1ccc(C(=O)N2CCC[C@@H]2/C=C/c2ccccc2)cc1[O-] ZINC000443131879 338445388 /nfs/dbraw/zinc/44/53/88/338445388.db2.gz LFPBNQJDTJEHPI-VEGGFIAOSA-N -1 1 318.376 3.582 20 30 DHEDMM CC[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188280743 334670920 /nfs/dbraw/zinc/67/09/20/334670920.db2.gz CEIGTSZJCVNSDM-AWEZNQCLSA-N -1 1 308.381 3.705 20 30 DHEDMM CC(=O)c1ccc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)s1 ZINC000345372355 335325747 /nfs/dbraw/zinc/32/57/47/335325747.db2.gz KJJTZMMIIZOSNA-NSHDSACASA-N -1 1 323.377 3.626 20 30 DHEDMM Cc1ccc2c(c1)CN(C(=O)c1ccc(C#N)c([O-])c1)C(C)(C)C2 ZINC000358887340 336646306 /nfs/dbraw/zinc/64/63/06/336646306.db2.gz XDAASWKLWDXEKY-UHFFFAOYSA-N -1 1 320.392 3.549 20 30 DHEDMM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000360688749 336719006 /nfs/dbraw/zinc/71/90/06/336719006.db2.gz LFJPUOPJFROTLX-IUODEOHRSA-N -1 1 300.402 3.551 20 30 DHEDMM N#Cc1ccc(Cc2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445448294 337852069 /nfs/dbraw/zinc/85/20/69/337852069.db2.gz VMPWQQGWSOBNKY-UHFFFAOYSA-N -1 1 311.728 3.558 20 30 DHEDMM C=CCCS(=O)(=O)[N-]c1c(F)cccc1Oc1ccccc1 ZINC000431191792 338125506 /nfs/dbraw/zinc/12/55/06/338125506.db2.gz KXXFUKLDIWTURN-UHFFFAOYSA-N -1 1 321.373 3.936 20 30 DHEDMM CSc1ccccc1[N-]C(=O)c1c(F)cc(C#N)cc1F ZINC000152139734 338199456 /nfs/dbraw/zinc/19/94/56/338199456.db2.gz HPJGGFZVLBXGPG-UHFFFAOYSA-N -1 1 304.321 3.811 20 30 DHEDMM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc3ccccc3c2[O-])C1 ZINC000436724641 338284318 /nfs/dbraw/zinc/28/43/18/338284318.db2.gz PANONWLOFOAYPJ-BFUOFWGJSA-N -1 1 308.381 3.748 20 30 DHEDMM C[C@H]1CCC[C@](C#N)(NC(=O)c2ccc3ccccc3c2[O-])C1 ZINC000436724642 338284365 /nfs/dbraw/zinc/28/43/65/338284365.db2.gz PANONWLOFOAYPJ-DJJJIMSYSA-N -1 1 308.381 3.748 20 30 DHEDMM N#CCCC[C@@H](NC(=O)c1c([O-])cccc1F)c1ccccc1 ZINC000436929007 338294126 /nfs/dbraw/zinc/29/41/26/338294126.db2.gz UFPXOVFDOOWRTR-OAHLLOKOSA-N -1 1 312.344 3.696 20 30 DHEDMM CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000442868744 338436355 /nfs/dbraw/zinc/43/63/55/338436355.db2.gz OINVKWVRQWJQBC-LSDHHAIUSA-N -1 1 300.402 3.599 20 30 DHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C3CCC3)c2)cc1 ZINC000461329480 339061977 /nfs/dbraw/zinc/06/19/77/339061977.db2.gz AJJJAFJOLRUWNE-UHFFFAOYSA-N -1 1 312.394 3.627 20 30 DHEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(CC)cc2)c1 ZINC000511737101 340336790 /nfs/dbraw/zinc/33/67/90/340336790.db2.gz ZNWDUFNBOHAXBY-UHFFFAOYSA-N -1 1 317.410 3.615 20 30 DHEDMM O=C([N-]c1ccc(F)c(F)c1F)c1c(F)c(F)cc(F)c1F ZINC000175591286 340415331 /nfs/dbraw/zinc/41/53/31/340415331.db2.gz KJBCECYAMCLTQR-UHFFFAOYSA-N -1 1 323.167 3.913 20 30 DHEDMM COc1ccc(C([O-])=C(C#N)c2nc3ccccc3s2)cc1 ZINC000018030262 1013280664 /nfs/dbraw/zinc/28/06/64/1013280664.db2.gz NKLPOZMSDNOLGP-CYBMUJFWSA-N -1 1 308.362 3.795 20 30 DHEDMM C=CCCOCc1nc(-c2cc(Cl)c([O-])c(OCC)c2)no1 ZINC000683589661 1013697037 /nfs/dbraw/zinc/69/70/37/1013697037.db2.gz ZOEYPRQATJCSAF-UHFFFAOYSA-N -1 1 324.764 3.587 20 30 DHEDMM COc1cc(C(=O)NCC2CCC(C#N)CC2)cc(Cl)c1[O-] ZINC000331277849 1013866876 /nfs/dbraw/zinc/86/68/76/1013866876.db2.gz PASRZUPHKWHLEF-UHFFFAOYSA-N -1 1 322.792 3.689 20 30 DHEDMM C=CCCCN(C)Cc1c(Br)cccc1C(=O)[O-] ZINC000652421430 975528857 /nfs/dbraw/zinc/52/88/57/975528857.db2.gz URPDJTUTBOGJLB-UHFFFAOYSA-N -1 1 312.207 3.545 20 30 DHEDMM N#Cc1cc(Nc2cc([O-])c(Cl)cc2F)cc([N+](=O)[O-])c1 ZINC001211330644 1014355939 /nfs/dbraw/zinc/35/59/39/1014355939.db2.gz XRAMAZXEEKAZPV-UHFFFAOYSA-N -1 1 307.668 3.708 20 30 DHEDMM O=C([O-])c1ccc(NN=Cc2cccc(Cl)c2Cl)nc1 ZINC000763369449 978722200 /nfs/dbraw/zinc/72/22/00/978722200.db2.gz WQWTVPMFONYVHA-UHFFFAOYSA-N -1 1 310.140 3.533 20 30 DHEDMM CCCC[C@H](/N=C/c1cc(Cl)cc(Cl)c1O)C(=O)[O-] ZINC001595634909 981895970 /nfs/dbraw/zinc/89/59/70/981895970.db2.gz YVIIUVAJTYGQOG-JRUYLCMPSA-N -1 1 304.173 3.761 20 30 DHEDMM CCCC[C@@H](/N=C\c1cc(Cl)cc(Cl)c1O)C(=O)[O-] ZINC001595634907 981895983 /nfs/dbraw/zinc/89/59/83/981895983.db2.gz YVIIUVAJTYGQOG-CRZGJZTJSA-N -1 1 304.173 3.761 20 30 DHEDMM N#Cc1ccc(C(=O)N[C@@H](CC2CCC2)c2ccccc2)cc1[O-] ZINC000443110313 1014815545 /nfs/dbraw/zinc/81/55/45/1014815545.db2.gz AVPQJUPEAYDSGN-SFHVURJKSA-N -1 1 320.392 3.925 20 30 DHEDMM CCCCCCCC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001595704775 982280104 /nfs/dbraw/zinc/28/01/04/982280104.db2.gz GXHDYBUCSUSHCC-UHFFFAOYSA-N -1 1 303.362 3.560 20 30 DHEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccccc1C ZINC000443418068 1014913278 /nfs/dbraw/zinc/91/32/78/1014913278.db2.gz MQJRJCXNOWCIRZ-UHFFFAOYSA-N -1 1 301.411 3.914 20 30 DHEDMM C=CCN(Cc1cccs1)Cc1ccc(C(=O)[O-])c(C)c1 ZINC001588829313 984313168 /nfs/dbraw/zinc/31/31/68/984313168.db2.gz RJHKDNXAOFSDNY-UHFFFAOYSA-N -1 1 301.411 3.943 20 30 DHEDMM C[C@H](c1cccc(C#N)c1)N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC001299760267 1017015399 /nfs/dbraw/zinc/01/53/99/1017015399.db2.gz WRASLJHBNMJIOR-LLVKDONJSA-N -1 1 314.772 3.750 20 30 DHEDMM Cc1csc(C(C#N)=C([O-])c2cnc3ccccc3c2C)n1 ZINC000361983406 1032182052 /nfs/dbraw/zinc/18/20/52/1032182052.db2.gz IKHJDTZHPFSFDQ-ZDUSSCGKSA-N -1 1 307.378 3.798 20 30 DHEDMM N#C[C@H]1CCCCN1C(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148866741 1032449602 /nfs/dbraw/zinc/44/96/02/1032449602.db2.gz PEZUUMRVAORZQN-OAHLLOKOSA-N -1 1 306.365 3.577 20 30 DHEDMM C#CC1CCN(C(=O)c2cccc(-c3ccccc3)c2[O-])CC1 ZINC001148866530 1032449619 /nfs/dbraw/zinc/44/96/19/1032449619.db2.gz KZMTWURWYFBJRF-UHFFFAOYSA-N -1 1 305.377 3.545 20 30 DHEDMM Cc1sc([N-]C(=O)c2c(F)cc(C#N)cc2F)c(C#N)c1C ZINC000445670081 1017949379 /nfs/dbraw/zinc/94/93/79/1017949379.db2.gz LGNYTSOXMRFKMC-UHFFFAOYSA-N -1 1 317.320 3.639 20 30 DHEDMM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1sccc1Cl ZINC001212483145 1019425896 /nfs/dbraw/zinc/42/58/96/1019425896.db2.gz PWJSGHZZFBPKAE-ZYHUDNBSSA-N -1 1 319.879 3.815 20 30 DHEDMM Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1Cl ZINC000070431782 1019677629 /nfs/dbraw/zinc/67/76/29/1019677629.db2.gz ASHZQUVUQZRJPZ-UHFFFAOYSA-N -1 1 320.801 3.629 20 30 DHEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000069147924 1019953289 /nfs/dbraw/zinc/95/32/89/1019953289.db2.gz MXSDHXBGUCOPPA-UHFFFAOYSA-N -1 1 314.410 3.791 20 30 DHEDMM COc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)ccc1C ZINC000647373658 1020221961 /nfs/dbraw/zinc/22/19/61/1020221961.db2.gz MGJOVKILEQYABY-CYBMUJFWSA-N -1 1 312.394 3.828 20 30 DHEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc([C@H](C)CC)cc2)c1 ZINC000024346740 1021025922 /nfs/dbraw/zinc/02/59/22/1021025922.db2.gz ATZDGRZSHKCXFC-CQSZACIVSA-N -1 1 313.422 3.982 20 30 DHEDMM COc1ccc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@H]2C)cc1C#N ZINC000741849493 1021061113 /nfs/dbraw/zinc/06/11/13/1021061113.db2.gz YRPFZTBSPORTMV-AAIQCTMTSA-N -1 1 323.323 3.795 20 30 DHEDMM COc1ccc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@H]2C)cc1C#N ZINC000741849501 1021061569 /nfs/dbraw/zinc/06/15/69/1021061569.db2.gz YRPFZTBSPORTMV-XNFYSYIQSA-N -1 1 323.323 3.795 20 30 DHEDMM CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000190027904 1021514634 /nfs/dbraw/zinc/51/46/34/1021514634.db2.gz IWSKTVCMWYYQQE-UHFFFAOYSA-N -1 1 320.801 3.641 20 30 DHEDMM CCN(C(=O)c1ccc([O-])cc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000154819985 1021658775 /nfs/dbraw/zinc/65/87/75/1021658775.db2.gz ZRBSVJPZGQMDDG-LBPRGKRZSA-N -1 1 312.344 3.626 20 30 DHEDMM O=C1c2ccc([O-])cc2C/C1=C\c1ccc(OC(F)F)c(F)c1 ZINC000187226013 1021926861 /nfs/dbraw/zinc/92/68/61/1021926861.db2.gz DPOBXPPBNRREMP-VZUCSPMQSA-N -1 1 320.266 3.955 20 30 DHEDMM O=C1c2ccc([O-])cc2CC/C1=C\c1ccn(-c2ccccc2)n1 ZINC000766779239 1022493439 /nfs/dbraw/zinc/49/34/39/1022493439.db2.gz OKRFZJKCJBSOHJ-NTCAYCPXSA-N -1 1 316.360 3.790 20 30 DHEDMM C=CCCO[N-]C(=O)[C@H](CC)c1cccc(C(F)(F)F)c1 ZINC000856031928 1022741233 /nfs/dbraw/zinc/74/12/33/1022741233.db2.gz CXXAWXYBRLMWNG-CYBMUJFWSA-N -1 1 301.308 3.823 20 30 DHEDMM CCc1nc(SCC#Cc2cccc(Cl)c2)[n-]c(=O)c1C ZINC000584794007 1022745345 /nfs/dbraw/zinc/74/53/45/1022745345.db2.gz ZAYORMPTRFWKSJ-UHFFFAOYSA-N -1 1 318.829 3.850 20 30 DHEDMM CC(=NNc1ccnc2ccccc21)c1ccc([O-])c(Cl)c1 ZINC000768778314 1023026612 /nfs/dbraw/zinc/02/66/12/1023026612.db2.gz ZLLRFASJFGWGKX-UHFFFAOYSA-N -1 1 311.772 3.852 20 30 DHEDMM CCn1nc(/C=C2/Oc3cc([O-])cc(C)c3C2=O)c2ccccc21 ZINC000769742205 1023207750 /nfs/dbraw/zinc/20/77/50/1023207750.db2.gz JPSFQGHLDMOBTL-LICLKQGHSA-N -1 1 320.348 3.686 20 30 DHEDMM COc1ccc2nc(/C=C/C(=O)c3ccc([O-])cc3)sc2c1 ZINC000788731174 1023927732 /nfs/dbraw/zinc/92/77/32/1023927732.db2.gz GNZRHQCQTFPRDW-CMDGGOBGSA-N -1 1 311.362 3.907 20 30 DHEDMM CC(=NNCCc1ccncc1)c1cc(Cl)c(Cl)cc1[O-] ZINC000789097868 1023996915 /nfs/dbraw/zinc/99/69/15/1023996915.db2.gz LZUXRVSGYKYNGZ-UHFFFAOYSA-N -1 1 324.211 3.650 20 30 DHEDMM Cc1ccc(C(=O)/C=C/c2ccc([O-])c(Br)c2)o1 ZINC000028624039 1024486512 /nfs/dbraw/zinc/48/65/12/1024486512.db2.gz WENCPIAAHXMRAR-GQCTYLIASA-N -1 1 307.143 3.952 20 30 DHEDMM N#CC(=C([O-])C=Cc1ccsc1)c1cnc2ccccc2n1 ZINC000792099954 1024625185 /nfs/dbraw/zinc/62/51/85/1024625185.db2.gz KBYCAVHBRYRSMT-SZZPACECSA-N -1 1 305.362 3.581 20 30 DHEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1cccc(OC(F)F)c1)O2 ZINC000747063468 1024657811 /nfs/dbraw/zinc/65/78/11/1024657811.db2.gz LEOKABFXXVIUJR-VGOFMYFVSA-N -1 1 318.275 3.918 20 30 DHEDMM CC(C)Cn1cc(C([O-])=C(C#N)c2ccncn2)c2ccccc21 ZINC000354460738 1025435918 /nfs/dbraw/zinc/43/59/18/1025435918.db2.gz FXWLRWAZOIOJID-OAHLLOKOSA-N -1 1 318.380 3.577 20 30 DHEDMM COc1ccccc1/C=C/C=C/C(=O)c1ccc(C(=O)[O-])cc1O ZINC000806558903 1025921590 /nfs/dbraw/zinc/92/15/90/1025921590.db2.gz OWZCJVTZZNHENA-JHMJBTLWSA-N -1 1 324.332 3.551 20 30 DHEDMM O=C1c2ccc([O-])cc2CC/C1=C/c1c[nH]c(C(F)(F)F)c1 ZINC000806566515 1025926873 /nfs/dbraw/zinc/92/68/73/1025926873.db2.gz JAKBADPBQQIVJO-WZUFQYTHSA-N -1 1 307.271 3.952 20 30 DHEDMM O=C1c2ccc([O-])cc2CC/C1=C\c1cccc(-n2cccn2)c1 ZINC000760266435 1025973962 /nfs/dbraw/zinc/97/39/62/1025973962.db2.gz URDGUHIWRSNWAY-LFIBNONCSA-N -1 1 316.360 3.790 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)N(Cc2ccccc2)CC2CCC2)c1 ZINC000614297902 1026052559 /nfs/dbraw/zinc/05/25/59/1026052559.db2.gz QDXFHKLZMFLSOT-UHFFFAOYSA-N -1 1 320.392 3.706 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccc(OC3CCCC3)c2)c1 ZINC000614295514 1026057215 /nfs/dbraw/zinc/05/72/15/1026057215.db2.gz PZKSDFNFFPZOFP-UHFFFAOYSA-N -1 1 322.364 3.838 20 30 DHEDMM Cc1ccc([C@H]2CCCCN2C(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000614300656 1026061152 /nfs/dbraw/zinc/06/11/52/1026061152.db2.gz PWXNLANIXPBVIE-LJQANCHMSA-N -1 1 320.392 3.940 20 30 DHEDMM Cc1ccc([C@@H]2CCCCCN2C(=O)c2cc([O-])cc(C#N)c2)o1 ZINC000614369697 1026260170 /nfs/dbraw/zinc/26/01/70/1026260170.db2.gz QVFZBTZPHNMMDG-KRWDZBQOSA-N -1 1 324.380 3.923 20 30 DHEDMM CCCCCCCS(=O)(=O)[N-]c1cccc(SC)n1 ZINC000808570114 1026329236 /nfs/dbraw/zinc/32/92/36/1026329236.db2.gz WUGODJAMOLBGNK-UHFFFAOYSA-N -1 1 302.465 3.516 20 30 DHEDMM CC(N=Nc1ccccc1C(=O)[O-])c1nccc2ccccc21 ZINC000811635868 1027045838 /nfs/dbraw/zinc/04/58/38/1027045838.db2.gz OSSGJIIABKMRKK-UHFFFAOYSA-N -1 1 305.337 3.769 20 30 DHEDMM CC(=NOC/C=C\Cl)c1ccc(Br)cc1[O-] ZINC000811672241 1027059411 /nfs/dbraw/zinc/05/94/11/1027059411.db2.gz UMHZVPAATACLLG-WLWPVCBVSA-N -1 1 304.571 3.648 20 30 DHEDMM N#Cc1ccc([O-])c(-c2ccc(OC[C@H]3CCCCO3)cc2)c1 ZINC000600778997 1027825480 /nfs/dbraw/zinc/82/54/80/1027825480.db2.gz LXKLYUAAMVXJHO-QGZVFWFLSA-N -1 1 309.365 3.879 20 30 DHEDMM [O-]c1cccc(C=NNc2ccc(C(F)(F)F)cn2)c1Cl ZINC000814711390 1028178552 /nfs/dbraw/zinc/17/85/52/1028178552.db2.gz HZXUEIAKTQXCHL-UHFFFAOYSA-N -1 1 315.682 3.905 20 30 DHEDMM [O-]c1cccc(CN=Nc2nc(-c3ccccc3)no2)c1Cl ZINC000814829425 1028220209 /nfs/dbraw/zinc/22/02/09/1028220209.db2.gz UNGBOWPMZAZBOU-UHFFFAOYSA-N -1 1 314.732 3.542 20 30 DHEDMM O=C([O-])c1cc(CN=Nc2c(Cl)cc(F)cc2Cl)c[nH]1 ZINC000814890886 1028266410 /nfs/dbraw/zinc/26/64/10/1028266410.db2.gz FDQCTLYPRZYFIF-UHFFFAOYSA-N -1 1 316.119 3.605 20 30 DHEDMM CCC(=NNc1ccc(C(=O)[O-])cc1OC)c1ccccc1F ZINC000778545334 1028756444 /nfs/dbraw/zinc/75/64/44/1028756444.db2.gz RMRPUNHJAHORGZ-UHFFFAOYSA-N -1 1 316.332 3.759 20 30 DHEDMM C[C@@H](Nc1cccc(N2CCCC2=O)c1)c1cccc(C#N)c1[O-] ZINC000866316361 1030225025 /nfs/dbraw/zinc/22/50/25/1030225025.db2.gz QWZDMWJQLSOAKA-CYBMUJFWSA-N -1 1 321.380 3.564 20 30 DHEDMM O=C(/C=C\c1ccnn1-c1ccc(F)cc1)c1ccc([O-])cc1 ZINC000794927503 1030333098 /nfs/dbraw/zinc/33/30/98/1030333098.db2.gz RMNMCVRREITOEP-YFHOEESVSA-N -1 1 308.312 3.613 20 30 DHEDMM C[C@H](Nc1cccc2c1OCCCO2)c1cccc(C#N)c1[O-] ZINC000866619238 1030409536 /nfs/dbraw/zinc/40/95/36/1030409536.db2.gz PZJIKCHVACRJAB-LBPRGKRZSA-N -1 1 310.353 3.598 20 30 DHEDMM Cc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c2nccn2c1 ZINC000626355858 1031269520 /nfs/dbraw/zinc/26/95/20/1031269520.db2.gz GGOBQTKKSNXKOA-CYBMUJFWSA-N -1 1 324.409 3.713 20 30 DHEDMM CC(C)(C)OC(=O)Nc1csc(-c2ccc([O-])cc2C#N)n1 ZINC000863723042 1034185754 /nfs/dbraw/zinc/18/57/54/1034185754.db2.gz RWIOHCDFEVHWKA-UHFFFAOYSA-N -1 1 317.370 3.734 20 30 DHEDMM CC(C)(C#N)c1ccccc1COC(=O)c1ccc([O-])cc1F ZINC000773578093 1035276456 /nfs/dbraw/zinc/27/64/56/1035276456.db2.gz WHJXHKIMAPKEGX-UHFFFAOYSA-N -1 1 313.328 3.689 20 30 DHEDMM COc1ccc([C@@H](C(=O)Nc2ccc(C#N)cc2[O-])C(C)C)cc1 ZINC001182993301 1036497150 /nfs/dbraw/zinc/49/71/50/1036497150.db2.gz LCQADXQYTAHERP-SFHVURJKSA-N -1 1 324.380 3.651 20 30 DHEDMM N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203582068 1036736217 /nfs/dbraw/zinc/73/62/17/1036736217.db2.gz PBPKSLMKARBSMX-CGJHYDBRSA-N -1 1 311.212 3.966 20 30 DHEDMM N#Cc1ccc(NC(=O)C[C@H]2CCc3cc(F)ccc3C2)c([O-])c1 ZINC001186160484 1037327650 /nfs/dbraw/zinc/32/76/50/1037327650.db2.gz OJZLHFARAJVEKB-LBPRGKRZSA-N -1 1 324.355 3.537 20 30 DHEDMM C=CCOc1ccccc1[C@H](C)NC(=O)c1ccc([O-])cc1F ZINC001186339347 1037377550 /nfs/dbraw/zinc/37/75/50/1037377550.db2.gz DWRNLCKUCHKVPG-LBPRGKRZSA-N -1 1 315.344 3.587 20 30 DHEDMM COc1ccc(Cl)cc1NC(=O)Nc1ccc([O-])c(C#N)c1 ZINC001187928580 1037756576 /nfs/dbraw/zinc/75/65/76/1037756576.db2.gz RKRQQLCEHSITJL-UHFFFAOYSA-N -1 1 317.732 3.570 20 30 DHEDMM C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ncccc2[O-])c1 ZINC001189252468 1038101848 /nfs/dbraw/zinc/10/18/48/1038101848.db2.gz VSOMKXMCJZTDHK-UHFFFAOYSA-N -1 1 311.385 3.877 20 30 DHEDMM COc1ccc([O-])c(C(=O)/C=C/c2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000156687352 1038182992 /nfs/dbraw/zinc/18/29/92/1038182992.db2.gz VRHZTAZVLQOQNG-NEXMIYJRSA-N -1 1 323.348 3.588 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)NCc2c(Cl)cccc2Cl)c1 ZINC000589167967 1038437403 /nfs/dbraw/zinc/43/74/03/1038437403.db2.gz KRPKEDOIHBYHEQ-UHFFFAOYSA-N -1 1 321.163 3.501 20 30 DHEDMM CC[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(Cl)s1 ZINC000589181501 1038445538 /nfs/dbraw/zinc/44/55/38/1038445538.db2.gz YLBXVXJSDIDWHI-LBPRGKRZSA-N -1 1 320.801 3.860 20 30 DHEDMM C[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)c1ccc(C#N)cc1 ZINC000589261716 1038454050 /nfs/dbraw/zinc/45/40/50/1038454050.db2.gz QUBDIQWGINVJND-MRVPVSSYSA-N -1 1 307.325 3.845 20 30 DHEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccccc2C)c1 ZINC000589439103 1038480596 /nfs/dbraw/zinc/48/05/96/1038480596.db2.gz NTOZRKVXXKFKCL-UHFFFAOYSA-N -1 1 317.410 3.751 20 30 DHEDMM CNc1ccc(C#N)cc1NC(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192322570 1038629099 /nfs/dbraw/zinc/62/90/99/1038629099.db2.gz DYTYIPSODDKZMP-UHFFFAOYSA-N -1 1 323.396 3.855 20 30 DHEDMM Cc1cc(C#N)c([N-]C(=O)c2nc(C(F)(F)F)cs2)s1 ZINC001192446315 1038661570 /nfs/dbraw/zinc/66/15/70/1038661570.db2.gz DQXNGYFVNPZYTP-UHFFFAOYSA-N -1 1 317.317 3.656 20 30 DHEDMM N#Cc1ccc(C(=O)[N-]c2cc(-c3ccc(Cl)s3)on2)o1 ZINC001192677295 1038689994 /nfs/dbraw/zinc/68/99/94/1038689994.db2.gz MJAHISXWGVMTOP-UHFFFAOYSA-N -1 1 319.729 3.773 20 30 DHEDMM C[C@@H](C#N)c1ccc(NC(=O)c2cc([O-])cc(F)c2F)cc1 ZINC001192665569 1038693464 /nfs/dbraw/zinc/69/34/64/1038693464.db2.gz OCNMMFGNYFNTGR-VIFPVBQESA-N -1 1 302.280 3.550 20 30 DHEDMM Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000590885377 1038724227 /nfs/dbraw/zinc/72/42/27/1038724227.db2.gz NWTGSFOZEWSBMC-SFHVURJKSA-N -1 1 324.355 3.689 20 30 DHEDMM CC(C)[C@@H]1N(C(=O)c2cc([O-])cc(C#N)c2)CC12CCCCC2 ZINC000590919905 1038726741 /nfs/dbraw/zinc/72/67/41/1038726741.db2.gz PWVVMVYQVPKMPJ-KRWDZBQOSA-N -1 1 312.413 3.695 20 30 DHEDMM C=CCc1cc(/C=C/C(=O)c2ccc([O-])cc2)cc(OC)c1O ZINC000057788777 1038735059 /nfs/dbraw/zinc/73/50/59/1038735059.db2.gz YHUUFPCVIGWYHR-BJMVGYQFSA-N -1 1 310.349 3.731 20 30 DHEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000591321542 1038818566 /nfs/dbraw/zinc/81/85/66/1038818566.db2.gz UBDSGKBMVNQLCI-HOTGVXAUSA-N -1 1 300.402 3.551 20 30 DHEDMM CC1(C)[C@@H](c2ccccc2)CCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000591543251 1038920211 /nfs/dbraw/zinc/92/02/11/1038920211.db2.gz XIVBNNWFAANQAE-GOSISDBHSA-N -1 1 320.392 3.672 20 30 DHEDMM COCCCOc1cccc(/C=C/C(=O)c2ccc([O-])cc2)c1 ZINC000063866696 1040564194 /nfs/dbraw/zinc/56/41/94/1040564194.db2.gz SVASBHHQIMOJBQ-IZZDOVSWSA-N -1 1 312.365 3.704 20 30 DHEDMM N#Cc1ccccc1/C=C\c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445478799 331465163 /nfs/dbraw/zinc/46/51/63/331465163.db2.gz SJIGXKIVXHGIMY-VURMDHGXSA-N -1 1 307.284 3.623 20 30 DHEDMM C=CC[C@@H](NCc1ccc(-c2ccc(F)cc2C)o1)C(=O)[O-] ZINC000426832586 332156179 /nfs/dbraw/zinc/15/61/79/332156179.db2.gz IKWLDYPQEHWUCJ-OAHLLOKOSA-N -1 1 303.333 3.513 20 30 DHEDMM Cc1ccccc1[C@H]1CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000190779503 335094292 /nfs/dbraw/zinc/09/42/92/335094292.db2.gz FQEUTXBTPFKBAH-QGZVFWFLSA-N -1 1 306.365 3.550 20 30 DHEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccnn2C(F)F)s1 ZINC000580217858 333017973 /nfs/dbraw/zinc/01/79/73/333017973.db2.gz GGGXJPMTLKYRCU-QMMMGPOBSA-N -1 1 324.356 3.522 20 30 DHEDMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(C#N)c1C ZINC000179025845 333023807 /nfs/dbraw/zinc/02/38/07/333023807.db2.gz KGOHUTXFVKTHHG-UHFFFAOYSA-N -1 1 320.801 3.629 20 30 DHEDMM CC[N@H+](CCC#N)Cc1ccc(OCc2ccccc2)cc1O ZINC000273488578 334048158 /nfs/dbraw/zinc/04/81/58/334048158.db2.gz MGWQUPRWIIJICC-UHFFFAOYSA-N -1 1 310.397 3.707 20 30 DHEDMM N#CCCSc1ccccc1[N-]C(=O)c1cc(C2CC2)no1 ZINC000281663209 334127670 /nfs/dbraw/zinc/12/76/70/334127670.db2.gz KZZDSSCOKOUUBQ-UHFFFAOYSA-N -1 1 313.382 3.810 20 30 DHEDMM N#CC(=C([O-])c1cc[nH]c1C1CC1)c1nc2ccccc2s1 ZINC000340363314 334175493 /nfs/dbraw/zinc/17/54/93/334175493.db2.gz ZRGJOAHXZAYBIR-GFCCVEGCSA-N -1 1 307.378 3.992 20 30 DHEDMM C=CCCCCCN(C)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442973384 338440650 /nfs/dbraw/zinc/44/06/50/338440650.db2.gz NYCNJHYBVGWWJN-UHFFFAOYSA-N -1 1 311.809 3.873 20 30 DHEDMM N#Cc1ccc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)cc1[O-] ZINC000443276012 338448451 /nfs/dbraw/zinc/44/84/51/338448451.db2.gz QHDREGCQDSYCNV-KRWDZBQOSA-N -1 1 324.355 3.770 20 30 DHEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@H]1CC[C@@H](C)C1 ZINC000331063576 334832478 /nfs/dbraw/zinc/83/24/78/334832478.db2.gz DJDBXRSVSDWLHP-ZYHUDNBSSA-N -1 1 305.422 3.529 20 30 DHEDMM CC[C@H](Cc1ccccc1)N(CC)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188738653 334873146 /nfs/dbraw/zinc/87/31/46/334873146.db2.gz LFJXOOHWFMHHPJ-GOSISDBHSA-N -1 1 322.408 3.747 20 30 DHEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000063878743 336395850 /nfs/dbraw/zinc/39/58/50/336395850.db2.gz AFOZZZMSTDCUQI-UHFFFAOYSA-N -1 1 322.389 3.821 20 30 DHEDMM Cc1cc(C)cc([C@H]2CCN(C(=O)c3ccc(C#N)c([O-])c3)C2)c1 ZINC000189210831 337277345 /nfs/dbraw/zinc/27/73/45/337277345.db2.gz QMUWSBBRMYAUGJ-KRWDZBQOSA-N -1 1 320.392 3.510 20 30 DHEDMM CCc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c1 ZINC000433807706 338202455 /nfs/dbraw/zinc/20/24/55/338202455.db2.gz KABFXEOYWKKRNU-UHFFFAOYSA-N -1 1 320.801 3.575 20 30 DHEDMM N#CCn1c(/C=C\c2cc(F)c([O-])c(F)c2)nc2ccccc21 ZINC000436930531 338294111 /nfs/dbraw/zinc/29/41/11/338294111.db2.gz HEHOUNYPNPIHMN-WAYWQWQTSA-N -1 1 311.291 3.714 20 30 DHEDMM C=CCCC[C@H](C)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000464191757 339136372 /nfs/dbraw/zinc/13/63/72/339136372.db2.gz JUFHXXVXGHSNFF-JTQLQIEISA-N -1 1 305.802 3.502 20 30 DHEDMM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1 ZINC000468362278 339260584 /nfs/dbraw/zinc/26/05/84/339260584.db2.gz OUMXMKDSRJPCIO-UHFFFAOYSA-N -1 1 318.373 3.622 20 30 DHEDMM N#CC(=C([O-])c1cc(Oc2ccccc2)ccn1)c1ccccn1 ZINC000173967819 340378876 /nfs/dbraw/zinc/37/88/76/340378876.db2.gz NNHIINKOQVZEIN-MRXNPFEDSA-N -1 1 315.332 3.759 20 30 DHEDMM Cc1ccccc1C(C)(C)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000076947086 341216104 /nfs/dbraw/zinc/21/61/04/341216104.db2.gz KISUVKHUMVWJPK-UHFFFAOYSA-N -1 1 312.295 3.698 20 30 DHEDMM CCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000078977592 341251047 /nfs/dbraw/zinc/25/10/47/341251047.db2.gz QHLNLLHEYJTLBU-UHFFFAOYSA-N -1 1 320.801 3.575 20 30 DHEDMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)c1 ZINC000564386001 341359722 /nfs/dbraw/zinc/35/97/22/341359722.db2.gz YGVGOPBKSHRJOK-UHFFFAOYSA-N -1 1 318.373 3.622 20 30 DHEDMM O=C([O-])c1ccc(C/N=C/c2cc(Cl)cc(Cl)c2O)o1 ZINC000740125991 600466772 /nfs/dbraw/zinc/46/67/72/600466772.db2.gz YFSNTPAODWQONK-FZSIALSZSA-N -1 1 314.124 3.609 20 30 DHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1coc2ccccc12 ZINC000826399884 607646740 /nfs/dbraw/zinc/64/67/40/607646740.db2.gz JAIIGLLXLWWUOR-FNORWQNLSA-N -1 1 322.349 3.571 20 30 DHEDMM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000833548045 605057854 /nfs/dbraw/zinc/05/78/54/605057854.db2.gz ZTIFEAFJRQREFS-ZDUSSCGKSA-N -1 1 322.364 3.700 20 30 DHEDMM CCc1ccc([C@H](C)NCc2cccc(C(=O)[O-])c2C#N)cc1 ZINC000833668708 605061710 /nfs/dbraw/zinc/06/17/10/605061710.db2.gz AQILETIKJKVARY-ZDUSSCGKSA-N -1 1 308.381 3.670 20 30 DHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(Cl)s1 ZINC000822922244 606387930 /nfs/dbraw/zinc/38/79/30/606387930.db2.gz DTNDRFFZWGBKFA-IWQZZHSRSA-N -1 1 322.802 3.539 20 30 DHEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cc2ccccc2o1 ZINC000822922548 606387960 /nfs/dbraw/zinc/38/79/60/606387960.db2.gz HIMSQWXCGMXRGM-ALCCZGGFSA-N -1 1 322.349 3.571 20 30 DHEDMM CC(C=CC(=O)c1ccc(-c2nnn[n-]2)s1)=Cc1ccccc1 ZINC000824384400 608092548 /nfs/dbraw/zinc/09/25/48/608092548.db2.gz BLNXKRZCXVJFHS-MDFXNHGISA-N -1 1 322.393 3.771 20 30 DHEDMM CC(C=CC(=O)c1ccc(-c2nn[n-]n2)s1)=Cc1ccccc1 ZINC000824384400 608092549 /nfs/dbraw/zinc/09/25/49/608092549.db2.gz BLNXKRZCXVJFHS-MDFXNHGISA-N -1 1 322.393 3.771 20 30 DHEDMM COc1ccc2c(c1)C(=O)/C(=C\c1ccc([O-])c(Cl)c1)CO2 ZINC000120854120 1013360837 /nfs/dbraw/zinc/36/08/37/1013360837.db2.gz FLARWVWVFQFIFM-WDZFZDKYSA-N -1 1 316.740 3.713 20 30 DHEDMM COc1cc(C(=O)NCC2(C3CC3)CCC2)cc(Cl)c1[O-] ZINC000328599569 1013791471 /nfs/dbraw/zinc/79/14/71/1013791471.db2.gz CEIYUONJCYISFX-UHFFFAOYSA-N -1 1 309.793 3.939 20 30 DHEDMM O=C(/C=C\c1ccc([O-])c(F)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000255124971 1013804343 /nfs/dbraw/zinc/80/43/43/1013804343.db2.gz XUPJOTMEVXFXDB-KTAJNNJTSA-N -1 1 321.691 3.989 20 30 DHEDMM COc1ccc2oc(/C=C\C(=O)c3cc(O)ccc3[O-])cc2c1 ZINC000255154145 1013964630 /nfs/dbraw/zinc/96/46/30/1013964630.db2.gz KZQCJXIBEATTPW-UTCJRWHESA-N -1 1 310.305 3.749 20 30 DHEDMM CCCC1CCC(N(C)C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000616712887 1014045628 /nfs/dbraw/zinc/04/56/28/1014045628.db2.gz LZOHFYVEFFCLOP-UHFFFAOYSA-N -1 1 300.402 3.695 20 30 DHEDMM C=C(C)[C@@H]1OCCC[C@@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000581243562 1014643890 /nfs/dbraw/zinc/64/38/90/1014643890.db2.gz MFZWJHDDBPWQDH-JSGCOSHPSA-N -1 1 320.776 3.934 20 30 DHEDMM C=C[C@H](N[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C)C(=O)[O-] ZINC001588693186 983892016 /nfs/dbraw/zinc/89/20/16/983892016.db2.gz SRAUEIARQPGRFW-ZANVPECISA-N -1 1 320.389 3.547 20 30 DHEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000458035206 1015623430 /nfs/dbraw/zinc/62/34/30/1015623430.db2.gz XWBAHKYJNYVLBW-ZWKOTPCHSA-N -1 1 320.392 3.672 20 30 DHEDMM CCC[C@H](NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12)c1nn[n-]n1 ZINC000329192703 1015657455 /nfs/dbraw/zinc/65/74/55/1015657455.db2.gz SDUUISYBMZMENW-DGAVXFQQSA-N -1 1 305.426 3.604 20 30 DHEDMM Cc1cccc2nc([C@H](C#N)C(=O)c3cnc(C4CC4)s3)[nH]c21 ZINC000522830800 1016806237 /nfs/dbraw/zinc/80/62/37/1016806237.db2.gz YMKFEKKFLFLTCJ-LLVKDONJSA-N -1 1 322.393 3.695 20 30 DHEDMM Cc1csc(C(C#N)=C([O-])c2cnc3ccccc3c2C)n1 ZINC000361983405 1032182452 /nfs/dbraw/zinc/18/24/52/1032182452.db2.gz IKHJDTZHPFSFDQ-CYBMUJFWSA-N -1 1 307.378 3.798 20 30 DHEDMM CCCCC[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)C(C)(C)C ZINC001146539846 1032228159 /nfs/dbraw/zinc/22/81/59/1032228159.db2.gz RYSFMDAKBOOCRW-MRXNPFEDSA-N -1 1 302.418 3.989 20 30 DHEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3ccccc3c2)cc1 ZINC000007053611 1013006869 /nfs/dbraw/zinc/00/68/69/1013006869.db2.gz JAWDRFLPOHXYLD-UHFFFAOYSA-N -1 1 308.362 3.512 20 30 DHEDMM CC(=O)c1cc(Cl)cc(CN(CCC#N)CC(C)C)c1[O-] ZINC000050142667 1017117512 /nfs/dbraw/zinc/11/75/12/1017117512.db2.gz ATSGHEOWPAGNDE-UHFFFAOYSA-N -1 1 308.809 3.620 20 30 DHEDMM COc1nc2ccccc2cc1/C=C/C(=O)c1ccc([O-])cc1 ZINC000764107850 1018160245 /nfs/dbraw/zinc/16/02/45/1018160245.db2.gz TUWJQFOKOJGCAI-DHZHZOJOSA-N -1 1 305.333 3.845 20 30 DHEDMM CC(=NNc1ccc(C(F)(F)F)cn1)c1cccc(C(=O)[O-])c1 ZINC000764660812 1018340530 /nfs/dbraw/zinc/34/05/30/1018340530.db2.gz ZQKUVHHBBQCWEC-UHFFFAOYSA-N -1 1 323.274 3.635 20 30 DHEDMM N#C[C@@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C1CCCCC1 ZINC000126981882 1018450192 /nfs/dbraw/zinc/45/01/92/1018450192.db2.gz GAFJKSJBOMXYRO-SECBINFHSA-N -1 1 317.336 3.766 20 30 DHEDMM C[C@H](C(=O)[N-][C@H](c1ccc(F)cc1)C(F)(F)F)C(F)(F)F ZINC000080364425 1018456937 /nfs/dbraw/zinc/45/69/37/1018456937.db2.gz JMNKBZRAZQCKKJ-HZGVNTEJSA-N -1 1 317.204 3.744 20 30 DHEDMM O=C(/C=C/c1cnn(Cc2ccc(F)cc2)c1)c1ccc([O-])cc1 ZINC000187197772 1019283339 /nfs/dbraw/zinc/28/33/39/1019283339.db2.gz MQJOUMDRMNBOAQ-XCVCLJGOSA-N -1 1 322.339 3.672 20 30 DHEDMM N#Cc1ccc(-c2noc(-c3ncccc3[O-])n2)c2ccccc12 ZINC001212480815 1019417776 /nfs/dbraw/zinc/41/77/76/1019417776.db2.gz KCIVATURZSQLJQ-UHFFFAOYSA-N -1 1 314.304 3.529 20 30 DHEDMM Cc1cc(C(=O)[N-]c2sc3c(c2C#N)CCCCCC3)on1 ZINC000079123955 1019675013 /nfs/dbraw/zinc/67/50/13/1019675013.db2.gz CZQWDRYHIKYBGK-UHFFFAOYSA-N -1 1 315.398 3.828 20 30 DHEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000070431789 1019678732 /nfs/dbraw/zinc/67/87/32/1019678732.db2.gz KRFZTLFAIVOTOP-UHFFFAOYSA-N -1 1 320.801 3.629 20 30 DHEDMM COc1cc2c(c(/C=C\C(=O)c3ccc([O-])cc3)c1)O[C@@H](C)C2 ZINC000727744446 1019765939 /nfs/dbraw/zinc/76/59/39/1019765939.db2.gz IBZCVZNGTQSYEX-JECSTDCCSA-N -1 1 310.349 3.620 20 30 DHEDMM CC(=NN=c1[nH]c2ccccc2s1)c1ccc(F)cc1[O-] ZINC000727779768 1019778792 /nfs/dbraw/zinc/77/87/92/1019778792.db2.gz UXZAVPDXBJUNOO-UHFFFAOYSA-N -1 1 301.346 3.977 20 30 DHEDMM O=C(/C=C\c1ccc(OCC(F)F)cc1)c1ccc([O-])cc1 ZINC000255827528 1020402862 /nfs/dbraw/zinc/40/28/62/1020402862.db2.gz FYOHCMWBQIHYDV-KMKOMSMNSA-N -1 1 304.292 3.932 20 30 DHEDMM C=CC(C)(C)CCNC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000628318427 1020715810 /nfs/dbraw/zinc/71/58/10/1020715810.db2.gz DXDLCVMLBAJKTG-UHFFFAOYSA-N -1 1 311.809 3.776 20 30 DHEDMM O=C1c2ccc([O-])cc2CC/C1=C\c1nc2c(s1)CCCC2 ZINC000776266841 1021196234 /nfs/dbraw/zinc/19/62/34/1021196234.db2.gz SYLQSNXEVMDTES-ZRDIBKRKSA-N -1 1 311.406 3.940 20 30 DHEDMM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1csc([N+](=O)[O-])c1 ZINC000917143133 1021201738 /nfs/dbraw/zinc/20/17/38/1021201738.db2.gz HNTWGOLAMSYEOY-WDTYERQASA-N -1 1 319.313 3.884 20 30 DHEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1ccc(O[C@H](C)C#N)cc1)O2 ZINC000728699826 1021687601 /nfs/dbraw/zinc/68/76/01/1021687601.db2.gz YIHMQKUXORRGJL-DTOZUZIGSA-N -1 1 321.332 3.608 20 30 DHEDMM Cc1cc(NC(=O)c2cc([O-])cc(C#N)c2)cc(C)c1Cl ZINC000619682355 1021830825 /nfs/dbraw/zinc/83/08/25/1021830825.db2.gz NTSKNQMGWBQOOZ-UHFFFAOYSA-N -1 1 300.745 3.786 20 30 DHEDMM Cc1oc(C2CC2)nc1C([O-])=C(C#N)c1nc2cccc(C)c2[nH]1 ZINC000556915623 1021945311 /nfs/dbraw/zinc/94/53/11/1021945311.db2.gz NNMGALMEWDARER-LBPRGKRZSA-N -1 1 320.352 3.535 20 30 DHEDMM CCN(Cc1ccccc1Cl)C(=O)c1ccc(C#N)c([O-])c1 ZINC000190185590 1022335887 /nfs/dbraw/zinc/33/58/87/1022335887.db2.gz REWKWGGTIAEPBF-UHFFFAOYSA-N -1 1 314.772 3.580 20 30 DHEDMM N#Cc1ccc(Nc2ccc(Cl)c([O-])c2)c(Br)n1 ZINC001212588527 1022348265 /nfs/dbraw/zinc/34/82/65/1022348265.db2.gz SDPFOCOLFACZLO-UHFFFAOYSA-N -1 1 324.565 3.818 20 30 DHEDMM C=CCOc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000111667055 1022361940 /nfs/dbraw/zinc/36/19/40/1022361940.db2.gz PNFAQCUXZDXEPH-UHFFFAOYSA-N -1 1 303.745 3.863 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)c1 ZINC000617171477 1022875913 /nfs/dbraw/zinc/87/59/13/1022875913.db2.gz ACEDDVREPYYWME-FUHWJXTLSA-N -1 1 320.392 3.720 20 30 DHEDMM CC(=NNc1nc2ccccc2n1C)c1ccc([O-])c(Cl)c1 ZINC000768774435 1023025462 /nfs/dbraw/zinc/02/54/62/1023025462.db2.gz UVKZDLMKDFHVKA-UHFFFAOYSA-N -1 1 314.776 3.768 20 30 DHEDMM N#CC(=C([O-])c1ccc(C#N)c(Cl)c1)c1nc2ccccc2[nH]1 ZINC000123687061 1023058205 /nfs/dbraw/zinc/05/82/05/1023058205.db2.gz CFSNKIDZOACBEK-GFCCVEGCSA-N -1 1 320.739 3.578 20 30 DHEDMM CC(=NNc1ccc(F)c([N+](=O)[O-])c1)c1cc(Cl)ccc1[O-] ZINC000769822843 1023212142 /nfs/dbraw/zinc/21/21/42/1023212142.db2.gz NBQRCYYKZOGOCM-UHFFFAOYSA-N -1 1 323.711 3.929 20 30 DHEDMM N#Cc1cc(Cl)ccc1COC(=O)c1c([O-])cc(F)cc1F ZINC000772064339 1023511616 /nfs/dbraw/zinc/51/16/16/1023511616.db2.gz KSHMRQIGZZBXLF-UHFFFAOYSA-N -1 1 323.682 3.552 20 30 DHEDMM N#Cc1cnc2c(c1)CC/C(=C\c1ccc([O-])c(Cl)c1)C2=O ZINC000788362417 1023876750 /nfs/dbraw/zinc/87/67/50/1023876750.db2.gz LENVJMZMHOBEMA-WLRTZDKTSA-N -1 1 310.740 3.525 20 30 DHEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1ccc(N(C)C(C)C)nc1)O2 ZINC000790218566 1024247692 /nfs/dbraw/zinc/24/76/92/1024247692.db2.gz RYOMTQNBVJYWIW-PXNMLYILSA-N -1 1 324.380 3.556 20 30 DHEDMM CC(C)c1ccc(C(=O)N2CCc3ccc(C#N)cc32)c([O-])c1 ZINC000270384245 1024384565 /nfs/dbraw/zinc/38/45/65/1024384565.db2.gz WPQCZJVLHUKUPW-UHFFFAOYSA-N -1 1 306.365 3.590 20 30 DHEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C\c2cncc3ccccc23)c1 ZINC000772800518 1024689086 /nfs/dbraw/zinc/68/90/86/1024689086.db2.gz GUTHFOJVNMSPEM-VURMDHGXSA-N -1 1 319.316 3.535 20 30 DHEDMM CC(=NNc1cccc(Cl)n1)c1cc(C(=O)[O-])ccc1C ZINC000793181687 1024928979 /nfs/dbraw/zinc/92/89/79/1024928979.db2.gz XSGUSAZHRAXDLG-UHFFFAOYSA-N -1 1 303.749 3.578 20 30 DHEDMM CSc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2O)cc1 ZINC000806559114 1025921523 /nfs/dbraw/zinc/92/15/23/1025921523.db2.gz VAUUAFVMCBQISZ-WTKPLQERSA-N -1 1 314.362 3.708 20 30 DHEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1cccc2ccccc21 ZINC000614293518 1026054864 /nfs/dbraw/zinc/05/48/64/1026054864.db2.gz XYQDIYNNOQKNBX-CYBMUJFWSA-N -1 1 316.360 3.908 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)N2CCCCC[C@@H]2c2ccco2)c1 ZINC000614300797 1026057005 /nfs/dbraw/zinc/05/70/05/1026057005.db2.gz TWBLWXWCLNLNQK-MRXNPFEDSA-N -1 1 310.353 3.614 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H](c2ccccc2)C2CCC2)c1 ZINC000614299394 1026057243 /nfs/dbraw/zinc/05/72/43/1026057243.db2.gz RISNKTZDBDJUBA-SFHVURJKSA-N -1 1 306.365 3.535 20 30 DHEDMM CC(C)(C)[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1 ZINC000614364061 1026254378 /nfs/dbraw/zinc/25/43/78/1026254378.db2.gz WZBLHEYMBMPSRO-KRWDZBQOSA-N -1 1 308.381 3.781 20 30 DHEDMM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2cc([O-])cc(C#N)c2)o1 ZINC000614370606 1026265655 /nfs/dbraw/zinc/26/56/55/1026265655.db2.gz UWQSKVUKVUVHBG-PXAZEXFGSA-N -1 1 324.380 3.779 20 30 DHEDMM Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000614371769 1026266888 /nfs/dbraw/zinc/26/68/88/1026266888.db2.gz BYKOFAFKYWTEDU-IBGZPJMESA-N -1 1 320.392 3.858 20 30 DHEDMM C#CCC1(c2nc(-c3ccc([O-])c(F)c3)no2)CCCCC1 ZINC000809470468 1026533672 /nfs/dbraw/zinc/53/36/72/1026533672.db2.gz GLUHNRPREYCXHT-UHFFFAOYSA-N -1 1 300.333 3.807 20 30 DHEDMM Cc1ccc2c(c1)C(=NNc1ccccc1C(=O)[O-])CCCO2 ZINC000812445174 1027284614 /nfs/dbraw/zinc/28/46/14/1027284614.db2.gz SMWNUEVEPVLXJD-UHFFFAOYSA-N -1 1 310.353 3.682 20 30 DHEDMM N#Cc1ccc(-c2cc(F)ccc2OC[C@@H]2CCCO2)c([O-])c1 ZINC000600778899 1027824301 /nfs/dbraw/zinc/82/43/01/1027824301.db2.gz JKSVINQTOZWVNH-AWEZNQCLSA-N -1 1 313.328 3.628 20 30 DHEDMM CCCCCCCS(=O)(=O)[N-][C@@H](c1ccccc1)C(F)F ZINC000814285959 1027990668 /nfs/dbraw/zinc/99/06/68/1027990668.db2.gz SVOSNSPQHILJEC-AWEZNQCLSA-N -1 1 319.417 3.883 20 30 DHEDMM CC(=NNc1ccccc1F)c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000814790486 1028207569 /nfs/dbraw/zinc/20/75/69/1028207569.db2.gz USUCMHNIBKPKRU-GFCCVEGCSA-N -1 1 316.332 3.514 20 30 DHEDMM C#CCN(Cc1ccc(F)cc1)Cc1cccc([O-])c1Cl ZINC000816497774 1028905451 /nfs/dbraw/zinc/90/54/51/1028905451.db2.gz RQQUWGPZFPGOAA-UHFFFAOYSA-N -1 1 303.764 3.820 20 30 DHEDMM CCCCCCCCCC(=O)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000820063086 1029642596 /nfs/dbraw/zinc/64/25/96/1029642596.db2.gz IPEKOWKQXJUAAE-UHFFFAOYSA-N -1 1 323.437 3.622 20 30 DHEDMM CCCCCCCCCC(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000820063086 1029642602 /nfs/dbraw/zinc/64/26/02/1029642602.db2.gz IPEKOWKQXJUAAE-UHFFFAOYSA-N -1 1 323.437 3.622 20 30 DHEDMM COc1ccc2[nH]cc(C(=O)/C=C/c3ccc([O-])c(F)c3)c2c1 ZINC000121220999 1030439501 /nfs/dbraw/zinc/43/95/01/1030439501.db2.gz NYUVNDWOYXTIAN-QHHAFSJGSA-N -1 1 311.312 3.917 20 30 DHEDMM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)CCCCC3=O)n1 ZINC000558548226 1030635395 /nfs/dbraw/zinc/63/53/95/1030635395.db2.gz JOIQLWAWUCGFRR-HNNXBMFYSA-N -1 1 324.405 3.851 20 30 DHEDMM C#C[C@@H](CC(C)C)O/C(=N\[O-])c1ccccc1Br ZINC001223886091 1031110231 /nfs/dbraw/zinc/11/02/31/1031110231.db2.gz ZOEPOLFBZRZXEF-NLPIWRNCSA-N -1 1 310.191 3.649 20 30 DHEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C\c2ccc(Cl)s2)c1 ZINC000757473775 1031182741 /nfs/dbraw/zinc/18/27/41/1031182741.db2.gz OYVWKHAFDQTSPE-DJWKRKHSSA-N -1 1 308.742 3.701 20 30 DHEDMM CCCn1nc(C)c(/C=C/C(=O)c2cccc([O-])c2F)c1C ZINC000871671327 1031264016 /nfs/dbraw/zinc/26/40/16/1031264016.db2.gz BZHWQHBNJATBOJ-CMDGGOBGSA-N -1 1 302.349 3.651 20 30 DHEDMM C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000928387811 1031299049 /nfs/dbraw/zinc/29/90/49/1031299049.db2.gz RWQIPVPKBNEUES-IFXJQAMLSA-N -1 1 320.392 3.672 20 30 DHEDMM Cc1ccc([O-])c(C(=O)/C=C/c2cccc(Br)n2)c1 ZINC000777917527 1031862255 /nfs/dbraw/zinc/86/22/55/1031862255.db2.gz BGRDFYSZCLJPJI-SOFGYWHQSA-N -1 1 318.170 3.754 20 30 DHEDMM Cc1ccc(/C=C2/CCc3cc([O-])ccc3C2=O)cc1[N+](=O)[O-] ZINC000209627738 1033853721 /nfs/dbraw/zinc/85/37/21/1033853721.db2.gz UVVJPECHFHOXAY-ZSOIEALJSA-N -1 1 309.321 3.821 20 30 DHEDMM CC(C)CCCC=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000863092821 1033993576 /nfs/dbraw/zinc/99/35/76/1033993576.db2.gz LOSHCZSZZRGGFN-UHFFFAOYSA-N -1 1 318.425 3.511 20 30 DHEDMM N#Cc1cc(Nc2ncc(Br)cc2[O-])ccc1Cl ZINC001174400722 1034329944 /nfs/dbraw/zinc/32/99/44/1034329944.db2.gz NXQXFAFXMUVKFS-UHFFFAOYSA-N -1 1 324.565 3.818 20 30 DHEDMM COc1ccc(Nc2cccc([O-])c2Br)c(C#N)c1 ZINC001212786254 1034569467 /nfs/dbraw/zinc/56/94/67/1034569467.db2.gz MHAGZYNNGLIAPN-UHFFFAOYSA-N -1 1 319.158 3.779 20 30 DHEDMM C#Cc1cccc(NCc2cccc(Br)c2[O-])c1 ZINC000042411488 1035117461 /nfs/dbraw/zinc/11/74/61/1035117461.db2.gz MLURTIDRRSPXDA-UHFFFAOYSA-N -1 1 302.171 3.748 20 30 DHEDMM CCCCCCCNC(=S)Nc1cc(F)c([O-])c(F)c1 ZINC001249643372 1035304238 /nfs/dbraw/zinc/30/42/38/1035304238.db2.gz WVUYPJIISNFLLS-UHFFFAOYSA-N -1 1 302.390 3.927 20 30 DHEDMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1 ZINC000193356415 1035864865 /nfs/dbraw/zinc/86/48/65/1035864865.db2.gz NUGXWLDFBQXSKI-UHFFFAOYSA-N -1 1 314.410 3.677 20 30 DHEDMM C#Cc1cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)ccc1F ZINC001195156688 1036163316 /nfs/dbraw/zinc/16/33/16/1036163316.db2.gz OOTLDLRESSIUFQ-UHFFFAOYSA-N -1 1 317.385 3.731 20 30 DHEDMM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000908641903 1036460167 /nfs/dbraw/zinc/46/01/67/1036460167.db2.gz NUFZDQKFYIDLDQ-KRWDZBQOSA-N -1 1 323.392 3.685 20 30 DHEDMM CCc1ccc(C(C)(C)C(=O)Nc2ccc(C#N)cc2[O-])cc1 ZINC001183510051 1036614681 /nfs/dbraw/zinc/61/46/81/1036614681.db2.gz FGFPRXXTBRYKHC-UHFFFAOYSA-N -1 1 308.381 3.743 20 30 DHEDMM C=CCC(C)(C)CNC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC001183572742 1036627254 /nfs/dbraw/zinc/62/72/54/1036627254.db2.gz YAAGHKXRTGEAHM-UHFFFAOYSA-N -1 1 318.804 3.926 20 30 DHEDMM N#Cc1ccc(NC(=O)c2c[nH]c(-c3ccc(F)cc3)c2)c([O-])c1 ZINC001196972678 1036649669 /nfs/dbraw/zinc/64/96/69/1036649669.db2.gz YOYRMCDNJQCQRQ-UHFFFAOYSA-N -1 1 321.311 3.650 20 30 DHEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccccc2CC)c1 ZINC000488215959 1036899840 /nfs/dbraw/zinc/89/98/40/1036899840.db2.gz HDPVSLJHQFOEMB-UHFFFAOYSA-N -1 1 317.410 3.615 20 30 DHEDMM C=CCOc1ccccc1[C@@H](C)NC(=O)c1ccc([O-])cc1F ZINC001186339346 1037378499 /nfs/dbraw/zinc/37/84/99/1037378499.db2.gz DWRNLCKUCHKVPG-GFCCVEGCSA-N -1 1 315.344 3.587 20 30 DHEDMM Cc1cc(C)cc(NC(=S)Nc2scc([O-])c2C#N)c1 ZINC001201199152 1037565495 /nfs/dbraw/zinc/56/54/95/1037565495.db2.gz UUYBGFZPWUDXHE-UHFFFAOYSA-N -1 1 303.412 3.751 20 30 DHEDMM N#Cc1cc(F)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c(Cl)c1 ZINC001201225064 1037580840 /nfs/dbraw/zinc/58/08/40/1037580840.db2.gz ZIAVYRJONFBXKP-UHFFFAOYSA-N -1 1 307.668 3.708 20 30 DHEDMM Cc1ncsc1C(=O)/C=C/c1ccc([O-])c(Br)c1 ZINC000915988306 1037640230 /nfs/dbraw/zinc/64/02/30/1037640230.db2.gz UGZCBTBVNXMMQX-HWKANZROSA-N -1 1 324.199 3.816 20 30 DHEDMM CC(C)(c1ccccc1)C1(NC(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000590885263 1037943748 /nfs/dbraw/zinc/94/37/48/1037943748.db2.gz TVVSDPMECZHTHH-UHFFFAOYSA-N -1 1 320.392 3.504 20 30 DHEDMM Cc1nc(C(F)(F)F)c(C(=O)[N-]c2ccsc2C#N)s1 ZINC001190488900 1038321966 /nfs/dbraw/zinc/32/19/66/1038321966.db2.gz QBBQFPFKJSLULF-UHFFFAOYSA-N -1 1 317.317 3.656 20 30 DHEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)C1CCC(C(C)(C)C)CC1 ZINC000589168699 1038437336 /nfs/dbraw/zinc/43/73/36/1038437336.db2.gz HIAPJGXFZOZIQO-UHFFFAOYSA-N -1 1 314.429 3.941 20 30 DHEDMM C[C@@H](c1ccccc1Cl)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589168002 1038437598 /nfs/dbraw/zinc/43/75/98/1038437598.db2.gz OATVEGRKABDZFX-NSHDSACASA-N -1 1 314.772 3.750 20 30 DHEDMM CCc1ccc2nc(NC(=O)c3cc([O-])cc(C#N)c3)sc2c1 ZINC000589162681 1038442192 /nfs/dbraw/zinc/44/21/92/1038442192.db2.gz SUDYYFFQPZPOCG-UHFFFAOYSA-N -1 1 323.377 3.688 20 30 DHEDMM Cc1cc(NC(=O)c2cc([O-])cc(C#N)c2)ccc1C(F)(F)F ZINC000589187254 1038444811 /nfs/dbraw/zinc/44/48/11/1038444811.db2.gz ZTXHCBRKGPCSDA-UHFFFAOYSA-N -1 1 320.270 3.843 20 30 DHEDMM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589187006 1038444878 /nfs/dbraw/zinc/44/48/78/1038444878.db2.gz OUEIBTJXFRCRCN-XIKOKIGWSA-N -1 1 324.355 3.626 20 30 DHEDMM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)c2cc([O-])cc(C#N)c2)C1 ZINC000589187004 1038445185 /nfs/dbraw/zinc/44/51/85/1038445185.db2.gz OUEIBTJXFRCRCN-SGTLLEGYSA-N -1 1 324.355 3.626 20 30 DHEDMM Cc1ccccc1[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)C(C)C ZINC000589181856 1038445528 /nfs/dbraw/zinc/44/55/28/1038445528.db2.gz HYKKPIBPNSJEKJ-SFHVURJKSA-N -1 1 308.381 3.699 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@H]2CCC2CCCC2)c1 ZINC000589190212 1038446795 /nfs/dbraw/zinc/44/67/95/1038446795.db2.gz HYJLZONSKXTBKY-QGZVFWFLSA-N -1 1 312.413 3.839 20 30 DHEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@H]2/C=C\c2ccccc2)c1 ZINC000589199377 1038448896 /nfs/dbraw/zinc/44/88/96/1038448896.db2.gz GORBUAGEOQPGLY-CNZFZVQHSA-N -1 1 318.376 3.582 20 30 DHEDMM C[C@H]1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC12CCCCC2 ZINC000589206626 1038449718 /nfs/dbraw/zinc/44/97/18/1038449718.db2.gz ZMBOQQMLCXRXCQ-AWEZNQCLSA-N -1 1 312.413 3.696 20 30 DHEDMM Cc1cc(NC(=O)Nc2scc([O-])c2C#N)ccc1Cl ZINC001191739694 1038541682 /nfs/dbraw/zinc/54/16/82/1038541682.db2.gz HNBQCCUSCKGFNU-UHFFFAOYSA-N -1 1 307.762 3.931 20 30 DHEDMM CCCCCCC[C@H](C)NC(=O)NCC(=O)c1ccc([O-])cc1 ZINC001192952820 1038720241 /nfs/dbraw/zinc/72/02/41/1038720241.db2.gz BRCKVAAZXIQBFO-AWEZNQCLSA-N -1 1 320.433 3.623 20 30 DHEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000591321544 1038816367 /nfs/dbraw/zinc/81/63/67/1038816367.db2.gz UBDSGKBMVNQLCI-JKSUJKDBSA-N -1 1 300.402 3.551 20 30 DHEDMM C=CC[C@H](NCc1ccc(-c2cccc(F)c2C)o1)C(=O)[O-] ZINC000426812853 332156951 /nfs/dbraw/zinc/15/69/51/332156951.db2.gz SJLWWUIHVFZCFM-HNNXBMFYSA-N -1 1 303.333 3.513 20 30 DHEDMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000460406915 333079466 /nfs/dbraw/zinc/07/94/66/333079466.db2.gz DRHDCCGBELQQGT-UHFFFAOYSA-N -1 1 314.410 3.657 20 30 DHEDMM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000318701872 333203156 /nfs/dbraw/zinc/20/31/56/333203156.db2.gz QNYZSOMPQDQRMF-UHFFFAOYSA-N -1 1 314.410 3.620 20 30 DHEDMM O=C1N/C(=N\C2CCCC2)S/C1=C\c1cccc([O-])c1Cl ZINC000295991097 334229044 /nfs/dbraw/zinc/22/90/44/334229044.db2.gz RRQMKKXZJRUKFD-WQLSENKSSA-N -1 1 322.817 3.548 20 30 DHEDMM Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000443063496 338442749 /nfs/dbraw/zinc/44/27/49/338442749.db2.gz NOWFMJROSDLQEZ-SFHVURJKSA-N -1 1 320.392 3.858 20 30 DHEDMM CC(C)(C)C1CCC(C#N)(NC(=O)c2cncc([O-])c2)CC1 ZINC000330603261 334794295 /nfs/dbraw/zinc/79/42/95/334794295.db2.gz JULBMXMHQYFJAP-UHFFFAOYSA-N -1 1 301.390 3.590 20 30 DHEDMM COC1CCC(CCNC(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000330894356 334821964 /nfs/dbraw/zinc/82/19/64/334821964.db2.gz RHTHOIZNXACIIE-UHFFFAOYSA-N -1 1 313.344 3.570 20 30 DHEDMM Cc1csc([N-]C(=O)c2ncsc2C(F)(F)F)c1C#N ZINC000344919857 335288885 /nfs/dbraw/zinc/28/88/85/335288885.db2.gz FOZRAHZGGVXKCV-UHFFFAOYSA-N -1 1 317.317 3.656 20 30 DHEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C ZINC000063878599 336392872 /nfs/dbraw/zinc/39/28/72/336392872.db2.gz SARXEUYNLKLTJD-UHFFFAOYSA-N -1 1 320.801 3.629 20 30 DHEDMM CSc1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cc1 ZINC000122050943 336991385 /nfs/dbraw/zinc/99/13/85/336991385.db2.gz CJUFGGAYSJXFQW-CYBMUJFWSA-N -1 1 307.378 3.775 20 30 DHEDMM N#CCc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000190926815 337291435 /nfs/dbraw/zinc/29/14/35/337291435.db2.gz PSVZEFDMUJDZLC-UHFFFAOYSA-N -1 1 301.733 3.756 20 30 DHEDMM C=CCOc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445457417 338018262 /nfs/dbraw/zinc/01/82/62/338018262.db2.gz RUBFWJMHKOKHIW-UHFFFAOYSA-N -1 1 312.300 3.813 20 30 DHEDMM N#C[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccc(Cl)cc1 ZINC000436605396 338279690 /nfs/dbraw/zinc/27/96/90/338279690.db2.gz CERIVMMXIUSQOA-ZDUSSCGKSA-N -1 1 321.163 3.694 20 30 DHEDMM N#C[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccccc1Cl ZINC000436619262 338280247 /nfs/dbraw/zinc/28/02/47/338280247.db2.gz QQFCTAXACBTTPS-ZDUSSCGKSA-N -1 1 321.163 3.694 20 30 DHEDMM N#C[C@H](NC(=O)c1ccc2ccccc2c1[O-])c1ccccc1F ZINC000436616440 338280213 /nfs/dbraw/zinc/28/02/13/338280213.db2.gz JYNFHMCYLIYAGV-KRWDZBQOSA-N -1 1 320.323 3.679 20 30 DHEDMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000475810697 339462216 /nfs/dbraw/zinc/46/22/16/339462216.db2.gz MSZIHXRMUUYTHC-UHFFFAOYSA-N -1 1 320.801 3.515 20 30 DHEDMM CC(C)(C)c1ccc(NC(=O)c2cccc(F)c2C#N)c([O-])c1 ZINC000506244008 340189857 /nfs/dbraw/zinc/18/98/57/340189857.db2.gz RQYHKUVTENOLKJ-UHFFFAOYSA-N -1 1 312.344 3.953 20 30 DHEDMM N#CCc1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000078541013 341243681 /nfs/dbraw/zinc/24/36/81/341243681.db2.gz OELJMZBYAARWAT-UHFFFAOYSA-N -1 1 302.333 3.864 20 30 DHEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(Oc2ccccc2)c1 ZINC000316590922 517752424 /nfs/dbraw/zinc/75/24/24/517752424.db2.gz OHHIEEFNVUTIAB-INIZCTEOSA-N -1 1 316.382 3.523 20 30 DHEDMM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1Cl ZINC000827718460 601297549 /nfs/dbraw/zinc/29/75/49/601297549.db2.gz SODDHLIZZYTOPW-MEDUHNTESA-N -1 1 314.772 3.688 20 30 DHEDMM C=CCN(Cc1ccsc1C(=O)[O-])Cc1ccc(OC)cc1 ZINC000825682319 601808575 /nfs/dbraw/zinc/80/85/75/601808575.db2.gz XICFOAQFAFOTKG-UHFFFAOYSA-N -1 1 317.410 3.643 20 30 DHEDMM C=CCN(Cc1ccc(C(=O)[O-])s1)Cc1ccc(OC)cc1 ZINC000825681900 601943205 /nfs/dbraw/zinc/94/32/05/601943205.db2.gz LNBSJZKRMBOURJ-UHFFFAOYSA-N -1 1 317.410 3.643 20 30 DHEDMM CCCc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821139335 606388704 /nfs/dbraw/zinc/38/87/04/606388704.db2.gz UGPRDKJZNYBIPJ-NTMALXAHSA-N -1 1 324.409 3.777 20 30 DHEDMM CC(C=CC(=O)c1ccc(-c2nnn[n-]2)s1)=Cc1ccccc1 ZINC000824384408 608092539 /nfs/dbraw/zinc/09/25/39/608092539.db2.gz BLNXKRZCXVJFHS-NJHWEWLZSA-N -1 1 322.393 3.771 20 30 DHEDMM CC(C=CC(=O)c1ccc(-c2nn[n-]n2)s1)=Cc1ccccc1 ZINC000824384408 608092540 /nfs/dbraw/zinc/09/25/40/608092540.db2.gz BLNXKRZCXVJFHS-NJHWEWLZSA-N -1 1 322.393 3.771 20 30 DHEDMM Cc1cc(C)c(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c(C)c1 ZINC000826262986 608093567 /nfs/dbraw/zinc/09/35/67/608093567.db2.gz GWGBMCNHOQJAJX-PLNGDYQASA-N -1 1 324.409 3.750 20 30 DHEDMM Cc1cc(C)c(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c(C)c1 ZINC000826262986 608093568 /nfs/dbraw/zinc/09/35/68/608093568.db2.gz GWGBMCNHOQJAJX-PLNGDYQASA-N -1 1 324.409 3.750 20 30 DHEDMM