smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)cc1Br ZINC000432757441 563592134 /nfs/dbraw/zinc/59/21/34/563592134.db2.gz LUZCDXWJZYLCBH-UHFFFAOYSA-N -2 0 397.206 2.525 20 30 GFEDRL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nn(C(C)C)cc1C#N ZINC000469313925 565013058 /nfs/dbraw/zinc/01/30/58/565013058.db2.gz BVLDQPAWUXYNGZ-UHFFFAOYSA-N -2 0 382.829 2.797 20 30 GFEDRL C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000736076426 600899477 /nfs/dbraw/zinc/89/94/77/600899477.db2.gz OSHMNNMHQRWZBY-UHFFFAOYSA-N -2 0 385.319 2.615 20 30 GFEDRL CC1=C(C(=O)[O-])[C@H](c2ccc(C#N)s2)NC(=O)N1c1ccc(C(=O)[O-])cc1 ZINC000828134465 601201625 /nfs/dbraw/zinc/20/16/25/601201625.db2.gz HELRRSAKRLRHSO-HNNXBMFYSA-N -2 0 383.385 2.947 20 30 GFEDRL C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000741657158 601830112 /nfs/dbraw/zinc/83/01/12/601830112.db2.gz KPHCSLLYAWMYOW-UHFFFAOYSA-N -2 0 383.784 2.990 20 30 GFEDRL N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000768509261 602118963 /nfs/dbraw/zinc/11/89/63/602118963.db2.gz SDTIUVVIYNPVRG-UHFFFAOYSA-N -2 0 384.772 2.880 20 30 GFEDRL N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000760365849 602119298 /nfs/dbraw/zinc/11/92/98/602119298.db2.gz ZJSHSNVJUJHQDC-UHFFFAOYSA-N -2 0 384.772 2.880 20 30 GFEDRL C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833515166 604689717 /nfs/dbraw/zinc/68/97/17/604689717.db2.gz AGPODHJLXPCNOR-NSHDSACASA-N -2 0 377.447 2.975 20 30 GFEDRL CSc1[n-]c(=O)c(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1C#N ZINC000832770957 604707995 /nfs/dbraw/zinc/70/79/95/604707995.db2.gz QCZXMCZHJXTSMT-CQSZACIVSA-N -2 0 385.445 2.963 20 30 GFEDRL C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000833366758 605123775 /nfs/dbraw/zinc/12/37/75/605123775.db2.gz HXEGOZPSESNWIJ-UHFFFAOYSA-N -2 0 389.404 2.755 20 30 GFEDRL Cc1cnn(-c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000833754288 605190798 /nfs/dbraw/zinc/19/07/98/605190798.db2.gz KTYFWVFHEZWODQ-UHFFFAOYSA-N -2 0 396.428 2.860 20 30 GFEDRL Cc1ncc(S(=O)(=O)[N-]c2ccc(Br)c(C(=O)[O-])c2)cc1C#N ZINC000324485689 563452378 /nfs/dbraw/zinc/45/23/78/563452378.db2.gz CRVZYFHPSFBQPQ-UHFFFAOYSA-N -2 0 396.222 2.523 20 30 GFEDRL N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-] ZINC000548524895 564555492 /nfs/dbraw/zinc/55/54/92/564555492.db2.gz HIMUUQAPSMEUNV-UHFFFAOYSA-N -2 0 381.753 2.619 20 30 GFEDRL CSc1[n-]c(=O)c(C(=O)Nc2cccc(CSCC(=O)[O-])c2)cc1C#N ZINC000738196148 599991550 /nfs/dbraw/zinc/99/15/50/599991550.db2.gz OBJAWPQHEYFMLI-UHFFFAOYSA-N -2 0 389.458 2.951 20 30 GFEDRL CSc1[n-]c(=O)c(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)cc1C#N ZINC000738197056 600506002 /nfs/dbraw/zinc/50/60/02/600506002.db2.gz XNICFDIFGODANN-UHFFFAOYSA-N -2 0 387.417 2.877 20 30 GFEDRL Cn1cc(S(=O)(=O)[N-]c2cccc(C#Cc3ccccc3)c2)cc1C(=O)[O-] ZINC000491060171 600809179 /nfs/dbraw/zinc/80/91/79/600809179.db2.gz NCIIFDIIWJOYLV-UHFFFAOYSA-N -2 0 380.425 2.924 20 30 GFEDRL C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000825625992 601332902 /nfs/dbraw/zinc/33/29/02/601332902.db2.gz SEDMJGJPHBAOGF-BJMVGYQFSA-N -2 0 375.377 2.736 20 30 GFEDRL N#CCc1ccnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1 ZINC000833069386 601964920 /nfs/dbraw/zinc/96/49/20/601964920.db2.gz VSRDJDOZDZOPRG-UHFFFAOYSA-N -2 0 386.216 2.953 20 30 GFEDRL N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)c1 ZINC000833068162 602116535 /nfs/dbraw/zinc/11/65/35/602116535.db2.gz PJOFSSRJKFPYTK-UHFFFAOYSA-N -2 0 387.236 2.881 20 30 GFEDRL C[C@H]1CC[C@H](CC(=O)OCCc2c(C(=O)[O-])[n-]n(-c3ccc(C#N)cc3)c2=O)C1 ZINC000828221331 602384981 /nfs/dbraw/zinc/38/49/81/602384981.db2.gz MVBGTIUZQMIXFM-ZFWWWQNUSA-N -2 0 397.431 2.647 20 30 GFEDRL N#Cc1cc(F)c(S(=O)(=O)[N-]c2cccc3c2CCN3C(=O)[O-])c(F)c1 ZINC000831113851 603838108 /nfs/dbraw/zinc/83/81/08/603838108.db2.gz GJKCSSFUDYMHJZ-UHFFFAOYSA-N -2 0 379.344 2.678 20 30 GFEDRL Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2CCCCCC[C@H]2NC(=O)[O-])n1 ZINC000830655447 603933210 /nfs/dbraw/zinc/93/32/10/603933210.db2.gz QYFDZDSRTYNLEE-MGPQQGTHSA-N -2 0 393.465 2.778 20 30 GFEDRL Cc1csc(C(C#N)=C([O-])COC(=O)C[C@H](C)C2CCN(C(=O)[O-])CC2)n1 ZINC000830655201 605235257 /nfs/dbraw/zinc/23/52/57/605235257.db2.gz KQIFRVWYBHVRIZ-FZMZJTMJSA-N -2 0 393.465 2.587 20 30 GFEDRL Cc1ncc(S(=O)(=O)[N-]c2cc(Br)cc(C(=O)[O-])c2)cc1C#N ZINC000324536377 563452235 /nfs/dbraw/zinc/45/22/35/563452235.db2.gz NJVHRRLEJIVSSF-UHFFFAOYSA-N -2 0 396.222 2.523 20 30 GFEDRL N#Cc1c(Br)cccc1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1 ZINC000568300985 564413372 /nfs/dbraw/zinc/41/33/72/564413372.db2.gz RCFHQPACSHICLL-UHFFFAOYSA-N -2 0 395.234 2.749 20 30 GFEDRL N#Cc1cc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(Cl)c2)c(F)c1 ZINC000548560081 564560287 /nfs/dbraw/zinc/56/02/87/564560287.db2.gz YSYZTMZGYQIFBU-ZDUSSCGKSA-N -2 0 386.763 2.594 20 30 GFEDRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000548594842 564565362 /nfs/dbraw/zinc/56/53/62/564565362.db2.gz KRZNNPBVIUMXPE-UHFFFAOYSA-N -2 0 384.772 2.858 20 30 GFEDRL Cc1cc(C(=O)[O-])c2sc([N-]S(=O)(=O)c3cc(C#N)ccc3C)nc2n1 ZINC000738345122 600551234 /nfs/dbraw/zinc/55/12/34/600551234.db2.gz DFIIPDWHYOTBLP-UHFFFAOYSA-N -2 0 388.430 2.679 20 30 GFEDRL N#Cc1cccnc1Oc1ccccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000509553580 600674236 /nfs/dbraw/zinc/67/42/36/600674236.db2.gz HTLBDRAZNCQNGH-UHFFFAOYSA-N -2 0 384.373 2.573 20 30 GFEDRL CCC1=C(C(=O)[O-])[C@H](c2ccc(C#N)o2)NC(=O)N1Cc1ccc(C(=O)[O-])cc1 ZINC000829070051 600783757 /nfs/dbraw/zinc/78/37/57/600783757.db2.gz XIRRIILZXGTYAL-KRWDZBQOSA-N -2 0 395.371 2.865 20 30 GFEDRL N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000760360711 602119034 /nfs/dbraw/zinc/11/90/34/602119034.db2.gz CFPHVTQOBIXJKL-UHFFFAOYSA-N -2 0 384.772 2.880 20 30 GFEDRL N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000833068301 602119804 /nfs/dbraw/zinc/11/98/04/602119804.db2.gz VOHAHIANYJAJIV-FPYGCLRLSA-N -2 0 376.365 2.627 20 30 GFEDRL Cc1csc(C(C#N)=C([O-])COC(=O)C[C@@H](C)[C@H]2CCCN(C(=O)[O-])C2)n1 ZINC000830655427 604540105 /nfs/dbraw/zinc/54/01/05/604540105.db2.gz QMDQRSAEEGAQNX-KWCYVHTRSA-N -2 0 393.465 2.587 20 30 GFEDRL N#CCCn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)n1 ZINC000735460121 655647564 /nfs/dbraw/zinc/64/75/64/655647564.db2.gz OHCWTHOIRVUOFT-UHFFFAOYSA-N -2 0 389.220 2.603 20 30 GFEDRL N#Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)c1 ZINC000751214758 655823108 /nfs/dbraw/zinc/82/31/08/655823108.db2.gz CLABBDNBNJIWQC-UHFFFAOYSA-N -2 0 397.206 2.525 20 30 GFEDRL C=CCCCS(=O)(=O)Nc1c(OC)ccc(Br)c1C(=O)[O-] ZINC000516527935 564504139 /nfs/dbraw/zinc/50/41/39/564504139.db2.gz JCMMWFIVMCJEHL-UHFFFAOYSA-N -2 0 378.244 2.864 20 30 GFEDRL Cc1cccc(S(=O)(=O)[N-]c2ncccc2OCCCC#N)c1C(=O)[O-] ZINC000738746104 600103905 /nfs/dbraw/zinc/10/39/05/600103905.db2.gz CLOJIIOISALOLX-UHFFFAOYSA-N -2 0 375.406 2.572 20 30 GFEDRL Cn1cc(S(=O)(=O)[N-]c2ccc(Oc3cccc(C#N)c3)nc2)cc1C(=O)[O-] ZINC000833055492 600812351 /nfs/dbraw/zinc/81/23/51/600812351.db2.gz HSGBECDXWJCCQC-UHFFFAOYSA-N -2 0 398.400 2.583 20 30 GFEDRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1OC ZINC000467321659 600897781 /nfs/dbraw/zinc/89/77/81/600897781.db2.gz GOJPGJOGGONJFQ-UHFFFAOYSA-N -2 0 396.808 2.728 20 30 GFEDRL C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000736089778 600900621 /nfs/dbraw/zinc/90/06/21/600900621.db2.gz PRVSAXXACAOPCH-UHFFFAOYSA-N -2 0 385.319 2.615 20 30 GFEDRL C[C@H]1CC/C(=C\C(=O)OCCc2c(C(=O)[O-])[n-]n(-c3ccc(C#N)cc3)c2=O)C1 ZINC000828206838 601546296 /nfs/dbraw/zinc/54/62/96/601546296.db2.gz FDIBEFFRNIEWGE-JMRXEAOASA-N -2 0 395.415 2.568 20 30 GFEDRL C[C@H]1CC[C@@H](CC(=O)OCCc2c(C(=O)[O-])[n-]n(-c3ccc(C#N)cc3)c2=O)C1 ZINC000828221328 602384850 /nfs/dbraw/zinc/38/48/50/602384850.db2.gz MVBGTIUZQMIXFM-DZGCQCFKSA-N -2 0 397.431 2.647 20 30 GFEDRL N#CC(=C([O-])c1cnn([C@H]2CCCN(C(=O)[O-])C2)c1)c1nc2ccccc2o1 ZINC000833960126 605586308 /nfs/dbraw/zinc/58/63/08/605586308.db2.gz GBHXWOXJFLNSNB-UONOGXRCSA-N -2 0 379.376 2.829 20 30 GFEDRL COc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(C(=O)[O-])cc1OC ZINC000502442726 605594845 /nfs/dbraw/zinc/59/48/45/605594845.db2.gz QSJDVTRBXYCOSD-UHFFFAOYSA-N -2 0 396.808 2.728 20 30 GFEDRL CC(N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1)c1ccc(C(=O)[O-])c(F)c1 ZINC000823963037 609159591 /nfs/dbraw/zinc/15/95/91/609159591.db2.gz UFPZJASQWFEJLU-UHFFFAOYSA-N -2 0 387.375 2.826 20 30 GFEDRL N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC000548193762 564535106 /nfs/dbraw/zinc/53/51/06/564535106.db2.gz CDMPHQKSOYQGQL-UHFFFAOYSA-N -2 0 381.753 2.619 20 30 GFEDRL CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=C([O-])c1cccc(C(=O)[O-])c1 ZINC000820369267 598148614 /nfs/dbraw/zinc/14/86/14/598148614.db2.gz YDKWHOBVCYLIAD-AWEZNQCLSA-N -2 0 382.372 2.712 20 30 GFEDRL Cc1[nH]nc(S(=O)(=O)[N-]c2cccc(C#Cc3ccccc3)c2)c1C(=O)[O-] ZINC000738827058 600231085 /nfs/dbraw/zinc/23/10/85/600231085.db2.gz GZQVWMFYKCFGKH-UHFFFAOYSA-N -2 0 381.413 2.617 20 30 GFEDRL C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000736077147 600899294 /nfs/dbraw/zinc/89/92/94/600899294.db2.gz YTLWEQWIWMVBJL-UHFFFAOYSA-N -2 0 383.784 2.990 20 30 GFEDRL N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])c1 ZINC000833067379 601575262 /nfs/dbraw/zinc/57/52/62/601575262.db2.gz BOFJJHPVJSJSGT-UHFFFAOYSA-N -2 0 387.236 2.881 20 30 GFEDRL Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1csc(CNC(=O)[O-])n1 ZINC000740034863 602728219 /nfs/dbraw/zinc/72/82/19/602728219.db2.gz NKSCYAHWSYCDKK-NSHDSACASA-N -2 0 382.401 2.906 20 30 GFEDRL CSc1[n-]c(=O)c(C(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)cc1C#N ZINC000740022854 603275949 /nfs/dbraw/zinc/27/59/49/603275949.db2.gz SSTPWEXOWRMIQI-UHFFFAOYSA-N -2 0 384.417 2.669 20 30 GFEDRL Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000829828380 604214137 /nfs/dbraw/zinc/21/41/37/604214137.db2.gz PBJLUDHZLAHOSJ-ZFWWWQNUSA-N -2 0 383.404 2.527 20 30 GFEDRL COC(=O)c1sc(S(=O)(=O)[N-]c2cccc(C#N)c2C)c(C(=O)[O-])c1C ZINC000831479502 604399553 /nfs/dbraw/zinc/39/95/53/604399553.db2.gz ONXGUYBTIHXVEB-UHFFFAOYSA-N -2 0 394.430 2.522 20 30 GFEDRL CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC000268028499 604990186 /nfs/dbraw/zinc/99/01/86/604990186.db2.gz YQKAGHPUMVJNTL-UHFFFAOYSA-N -2 0 382.829 2.662 20 30 GFEDRL C#CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000775298499 656626798 /nfs/dbraw/zinc/62/67/98/656626798.db2.gz VWPZTFNZMVGAJT-UHFFFAOYSA-N -2 0 383.784 2.990 20 30 GFEDRL N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000548193517 564535020 /nfs/dbraw/zinc/53/50/20/564535020.db2.gz HSOHHSUIVZDAAQ-UHFFFAOYSA-N -2 0 381.753 2.619 20 30 GFEDRL Cc1c(Br)cc([N-]S(=O)(=O)c2ccc(C#N)nc2)cc1C(=O)[O-] ZINC000560014105 564944956 /nfs/dbraw/zinc/94/49/56/564944956.db2.gz ZVFDDPOCDATQRY-UHFFFAOYSA-N -2 0 396.222 2.523 20 30 GFEDRL N#CCCCOc1cccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000739072534 600424378 /nfs/dbraw/zinc/42/43/78/600424378.db2.gz IEQSERGTENVPKC-UHFFFAOYSA-N -2 0 397.359 2.541 20 30 GFEDRL CC1=C(C(=O)[O-])[C@@H](c2ccc(C#N)s2)NC(=O)N1CCCCCC(=O)[O-] ZINC000828134171 601202382 /nfs/dbraw/zinc/20/23/82/601202382.db2.gz DGMBWLPGWKGHND-OAHLLOKOSA-N -2 0 377.422 2.690 20 30 GFEDRL CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)n1 ZINC000826528285 601485823 /nfs/dbraw/zinc/48/58/23/601485823.db2.gz TWWHVNMKHSKYDI-UHFFFAOYSA-N -2 0 382.829 2.662 20 30 GFEDRL COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000739906245 602565853 /nfs/dbraw/zinc/56/58/53/602565853.db2.gz LYMOUYPIUUZMQO-CQSZACIVSA-N -2 0 385.351 2.563 20 30 GFEDRL CC(N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000823963173 607964865 /nfs/dbraw/zinc/96/48/65/607964865.db2.gz XIYPUZANKMZDLL-UHFFFAOYSA-N -2 0 386.372 2.602 20 30 GFEDRL CN(C)c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(C(=O)[O-])c1 ZINC000548209617 564536949 /nfs/dbraw/zinc/53/69/49/564536949.db2.gz RZZMZNBYXXQICG-UHFFFAOYSA-N -2 0 379.825 2.777 20 30 GFEDRL Cc1cnn(-c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000833753924 605190054 /nfs/dbraw/zinc/19/00/54/605190054.db2.gz CQPAQIDITJJKAG-UHFFFAOYSA-N -2 0 396.428 2.860 20 30 GFEDRL Cc1csc(C(C#N)=C([O-])COC(=O)C[C@@H](C)C2CCN(C(=O)[O-])CC2)n1 ZINC000830655202 605235037 /nfs/dbraw/zinc/23/50/37/605235037.db2.gz KQIFRVWYBHVRIZ-RISCZKNCSA-N -2 0 393.465 2.587 20 30 GFEDRL C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000833402669 605598244 /nfs/dbraw/zinc/59/82/44/605598244.db2.gz SBJAKHCOLZJIAF-SECBINFHSA-N -2 0 381.797 2.525 20 30 GFEDRL CC[C@@H](C)[C@H](C)C(=O)OCCc1c(C(=O)[O-])[n-]n(-c2ccc(C#N)cc2)c1=O ZINC000833639300 605680058 /nfs/dbraw/zinc/68/00/58/605680058.db2.gz RVXCSRMFMQCPQU-OLZOCXBDSA-N -2 0 385.420 2.503 20 30 GFEDRL N#Cc1c(Br)cccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000555530501 564797065 /nfs/dbraw/zinc/79/70/65/564797065.db2.gz POKAYCCXBNFFEC-UHFFFAOYSA-N -2 0 381.207 2.820 20 30 GFEDRL O=C([O-])C[C@@H](CC[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(F)(F)F ZINC000584116673 564921825 /nfs/dbraw/zinc/92/18/25/564921825.db2.gz GFWNXZOSZYCXMQ-RXMQYKEDSA-N -2 0 397.268 2.565 20 30 GFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2cc(Br)cc(C(=O)[O-])c2)c(F)c1 ZINC000532800290 564946680 /nfs/dbraw/zinc/94/66/80/564946680.db2.gz JACKAGTXHBJVQP-UHFFFAOYSA-N -2 0 399.197 2.959 20 30 GFEDRL CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)n1 ZINC000269092850 601485329 /nfs/dbraw/zinc/48/53/29/601485329.db2.gz PCPRLBBEJRDZCW-UHFFFAOYSA-N -2 0 382.829 2.662 20 30 GFEDRL N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(Cl)cc2)c(F)c1 ZINC000833069700 601984902 /nfs/dbraw/zinc/98/49/02/601984902.db2.gz MTAKZFUFNMWHGU-CYBMUJFWSA-N -2 0 386.763 2.594 20 30 GFEDRL N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000760360816 602119120 /nfs/dbraw/zinc/11/91/20/602119120.db2.gz HEZBUTLTYOFSTE-UHFFFAOYSA-N -2 0 386.307 2.505 20 30 GFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CCN(C(=O)[O-])C3)c(F)c1 ZINC000740321609 603010884 /nfs/dbraw/zinc/01/08/84/603010884.db2.gz PNWKBNHDXCJBCW-UHFFFAOYSA-N -2 0 375.381 2.534 20 30 GFEDRL CSc1[n-]c(=O)c(C(=O)NCc2ccc([C@H](C)NC(=O)[O-])cc2)cc1C#N ZINC000829754967 604583602 /nfs/dbraw/zinc/58/36/02/604583602.db2.gz QSELGELTVKNBMK-JTQLQIEISA-N -2 0 386.433 2.639 20 30 GFEDRL C=CCOc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])c1 ZINC000833378806 605325780 /nfs/dbraw/zinc/32/57/80/605325780.db2.gz NYYKDVSVXJKHIZ-UHFFFAOYSA-N -2 0 378.362 2.659 20 30 GFEDRL N#Cc1cc(NC(=O)c2csc(CNC(=O)[O-])n2)c(Cl)c([N+](=O)[O-])c1 ZINC000833973591 605930778 /nfs/dbraw/zinc/93/07/78/605930778.db2.gz BIEGXYFCRHHLPK-UHFFFAOYSA-N -2 0 381.757 2.596 20 30 GFEDRL CCOc1nc2sccn2c1C=N[N-]c1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000825659602 607816138 /nfs/dbraw/zinc/81/61/38/607816138.db2.gz WHFZIIAJRBLMQM-UHFFFAOYSA-N -2 0 387.429 2.532 20 30 GFEDRL N#Cc1ccc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)cc1 ZINC000769622430 656282658 /nfs/dbraw/zinc/28/26/58/656282658.db2.gz ZWXUBDVBNLGFCF-UHFFFAOYSA-N -2 0 387.236 2.881 20 30 GFEDRL N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2Cl)c(F)c1 ZINC000530372064 564878779 /nfs/dbraw/zinc/87/87/79/564878779.db2.gz FBHKWORQZBUWGC-CYBMUJFWSA-N -2 0 386.763 2.594 20 30 GFEDRL C[C@H](C(=O)OCCc1c(C(=O)[O-])[n-]n(-c2ccc(C#N)cc2)c1=O)C(C)(C)C ZINC000736226247 600203228 /nfs/dbraw/zinc/20/32/28/600203228.db2.gz FQQLHVJMGFUEJM-GFCCVEGCSA-N -2 0 385.420 2.503 20 30 GFEDRL CCC1=C(C(=O)[O-])[C@H](c2ccc(C#N)o2)NC(=O)N1CCCCCC(=O)[O-] ZINC000829069821 600783551 /nfs/dbraw/zinc/78/35/51/600783551.db2.gz SBDOOZIFOROTFN-INIZCTEOSA-N -2 0 375.381 2.611 20 30 GFEDRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nc(C)c(SCC#N)s1 ZINC000832208704 601358863 /nfs/dbraw/zinc/35/88/63/601358863.db2.gz OFCUXBRXLHPEFT-UHFFFAOYSA-N -2 0 399.475 2.575 20 30 GFEDRL CC[C@H](C)[C@H](C)C(=O)OCCc1c(C(=O)[O-])[n-]n(-c2ccc(C#N)cc2)c1=O ZINC000833639302 605679949 /nfs/dbraw/zinc/67/99/49/605679949.db2.gz RVXCSRMFMQCPQU-STQMWFEESA-N -2 0 385.420 2.503 20 30 GFEDRL N#Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2Br)c1 ZINC000753524646 655855460 /nfs/dbraw/zinc/85/54/60/655855460.db2.gz TVAYICGWLGMNIK-UHFFFAOYSA-N -2 0 399.197 2.959 20 30 GFEDRL Cc1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)sc1SCC#N ZINC000832904599 600976719 /nfs/dbraw/zinc/97/67/19/600976719.db2.gz UVBAEMIRTRSIOC-UHFFFAOYSA-N -2 0 383.476 2.875 20 30 GFEDRL N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000833068293 602119636 /nfs/dbraw/zinc/11/96/36/602119636.db2.gz UYHXNVSQJKOANO-UHFFFAOYSA-N -2 0 386.307 2.505 20 30 GFEDRL N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(OCC(=O)[O-])c2ccccc12 ZINC000833076956 602124916 /nfs/dbraw/zinc/12/49/16/602124916.db2.gz URWLHVUZANOGER-UHFFFAOYSA-N -2 0 382.397 2.976 20 30 GFEDRL Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H]2CCCCCC[C@@H]2NC(=O)[O-])n1 ZINC000830655446 603933403 /nfs/dbraw/zinc/93/34/03/603933403.db2.gz QYFDZDSRTYNLEE-MCIONIFRSA-N -2 0 393.465 2.778 20 30 GFEDRL CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000823962793 607964824 /nfs/dbraw/zinc/96/48/24/607964824.db2.gz OVBDSTSSFYSXSZ-UHFFFAOYSA-N -2 0 386.372 2.503 20 30 GFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C(=O)[O-])c(Cl)c1 ZINC000326860994 563456568 /nfs/dbraw/zinc/45/65/68/563456568.db2.gz UFUANHYIXFJJOM-UHFFFAOYSA-N -2 0 381.753 2.619 20 30 GFEDRL N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C(=O)[O-])c1 ZINC000547901670 564518434 /nfs/dbraw/zinc/51/84/34/564518434.db2.gz IUTLIELQMRMNPD-UHFFFAOYSA-N -2 0 381.753 2.619 20 30 GFEDRL N#Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1 ZINC000555529455 564796141 /nfs/dbraw/zinc/79/61/41/564796141.db2.gz BLXJKANAXZLWAN-UHFFFAOYSA-N -2 0 399.197 2.959 20 30 GFEDRL CC(=O)C1=C(C(=O)[O-])N(CCCCCC(=O)[O-])C(=O)N[C@@H]1c1cccc(C)c1 ZINC000736127736 599987711 /nfs/dbraw/zinc/98/77/11/599987711.db2.gz XKDVEMWIJXPSIG-QGZVFWFLSA-N -2 0 388.420 2.634 20 30 GFEDRL N#CCCCOc1cccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000739073047 600104338 /nfs/dbraw/zinc/10/43/38/600104338.db2.gz OWDHTQDPHYQSTI-UHFFFAOYSA-N -2 0 395.824 2.917 20 30 GFEDRL CSc1[n-]c(=O)c(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cc1C#N ZINC000832770702 600815116 /nfs/dbraw/zinc/81/51/16/600815116.db2.gz BMYUGBSUPDVVTH-ZDUSSCGKSA-N -2 0 391.836 2.980 20 30 GFEDRL C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000736089196 600900627 /nfs/dbraw/zinc/90/06/27/600900627.db2.gz HQMGLEALKSNMLV-UHFFFAOYSA-N -2 0 383.784 2.990 20 30 GFEDRL O=C([O-])c1ccc(C=NNc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)o1 ZINC000833312389 601396615 /nfs/dbraw/zinc/39/66/15/601396615.db2.gz OYECCLJJNABPGU-UHFFFAOYSA-N -2 0 392.418 2.681 20 30 GFEDRL N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(Cl)cc(C(=O)[O-])c1 ZINC000833067931 602115110 /nfs/dbraw/zinc/11/51/10/602115110.db2.gz JIWAYIAMLHCZPI-UHFFFAOYSA-N -2 0 381.753 2.619 20 30 GFEDRL CSc1[n-]c(=O)c(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])cc1C#N ZINC000832770956 604707865 /nfs/dbraw/zinc/70/78/65/604707865.db2.gz QCZXMCZHJXTSMT-AWEZNQCLSA-N -2 0 385.445 2.963 20 30 GFEDRL O=C([O-])c1ccc(N=NC2C[C@@]3(CCN(C(=O)[O-])C3)Oc3ccccc32)nc1 ZINC000834283434 605626515 /nfs/dbraw/zinc/62/65/15/605626515.db2.gz OXYVZEPFOOHWSR-LJQANCHMSA-N -2 0 382.376 2.501 20 30 GFEDRL N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1nc2c(cccc2C(=O)[O-])[nH]1 ZINC000833761418 605784979 /nfs/dbraw/zinc/78/49/79/605784979.db2.gz ZQPXKJVGMXBRSC-UHFFFAOYSA-N -2 0 376.781 2.587 20 30 GFEDRL N#Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)ccc1Cl ZINC000471108533 564185234 /nfs/dbraw/zinc/18/52/34/564185234.db2.gz OHDCUNCEDXZLHV-UHFFFAOYSA-N -2 0 381.753 2.619 20 30 GFEDRL Cc1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(F)F)ccc1C(=O)[O-] ZINC000506614022 600892523 /nfs/dbraw/zinc/89/25/23/600892523.db2.gz SWXHGCOONLNSQC-UHFFFAOYSA-N -2 0 382.344 2.967 20 30 GFEDRL C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000736075782 600899245 /nfs/dbraw/zinc/89/92/45/600899245.db2.gz HMXYLAKFQVXYGA-UHFFFAOYSA-N -2 0 383.784 2.990 20 30 GFEDRL C[C@@H]1CCC[C@H](C(=O)OCCc2c(C(=O)[O-])[n-]n(-c3ccc(C#N)cc3)c2=O)C1 ZINC000828232549 600943493 /nfs/dbraw/zinc/94/34/93/600943493.db2.gz HJGNQXDRQYVGFY-HIFRSBDPSA-N -2 0 397.431 2.647 20 30 GFEDRL Cc1oc(S(=O)(=O)[N-]c2cccc(C#Cc3ccccn3)c2)cc1C(=O)[O-] ZINC000833029365 601230789 /nfs/dbraw/zinc/23/07/89/601230789.db2.gz HDCMMHZMSRERNJ-UHFFFAOYSA-N -2 0 382.397 2.882 20 30 GFEDRL Cc1c(C([O-])=C(C#N)c2nc3ccccc3o2)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740029972 602212541 /nfs/dbraw/zinc/21/25/41/602212541.db2.gz GNYXQGRKHHPEEC-CYBMUJFWSA-N -2 0 394.391 2.533 20 30 GFEDRL C#Cc1cccc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)c1 ZINC000769625765 656282691 /nfs/dbraw/zinc/28/26/91/656282691.db2.gz LLLKGKXSKLYYGU-UHFFFAOYSA-N -2 0 386.248 2.991 20 30 GFEDRL Cc1ncc(S(=O)(=O)[N-]c2ccc(S[C@H](C)C(=O)[O-])cc2)cc1C#N ZINC000427303401 563464673 /nfs/dbraw/zinc/46/46/73/563464673.db2.gz ZVDIGXQQTHAJIR-LLVKDONJSA-N -2 0 377.447 2.628 20 30 GFEDRL N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000548245479 564542347 /nfs/dbraw/zinc/54/23/47/564542347.db2.gz RLNBGQYOWSDMFP-UHFFFAOYSA-N -2 0 381.753 2.619 20 30 GFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c([N+](=O)[O-])c1 ZINC000610156462 566069306 /nfs/dbraw/zinc/06/93/06/566069306.db2.gz UIDHJGMOGANKLW-UHFFFAOYSA-N -2 0 381.753 2.619 20 30 GFEDRL N#CCCCOc1cccnc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000739072703 600104136 /nfs/dbraw/zinc/10/41/36/600104136.db2.gz MFEKKDQWMULVBO-UHFFFAOYSA-N -2 0 395.824 2.917 20 30 GFEDRL CSc1[n-]c(=O)c(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])cc1C#N ZINC000832771019 600724228 /nfs/dbraw/zinc/72/42/28/600724228.db2.gz VPIPDCFZBCJLFH-GFCCVEGCSA-N -2 0 385.445 2.744 20 30 GFEDRL C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000264498882 600815739 /nfs/dbraw/zinc/81/57/39/600815739.db2.gz KRONPDCYWQMKAV-NSHDSACASA-N -2 0 379.463 2.918 20 30 GFEDRL CCC1(C(=O)OCCc2c(C(=O)[O-])[n-]n(-c3ccc(C#N)cc3)c2=O)CCCC1 ZINC000829039255 601769925 /nfs/dbraw/zinc/76/99/25/601769925.db2.gz PRBGMPHMGGUVNF-UHFFFAOYSA-N -2 0 397.431 2.792 20 30 GFEDRL CC(N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000823963255 607530028 /nfs/dbraw/zinc/53/00/28/607530028.db2.gz ZQCIJHPAIIIPEE-UHFFFAOYSA-N -2 0 386.372 2.602 20 30 GFEDRL N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000833067965 602119766 /nfs/dbraw/zinc/11/97/66/602119766.db2.gz LNUGLRDTHLEWKA-UHFFFAOYSA-N -2 0 384.772 2.880 20 30 GFEDRL COc1ccc(-c2nc(SC[C@@H]3CCN(C(=O)[O-])C3)[n-]c(=O)c2C#N)cc1 ZINC000739884378 603372565 /nfs/dbraw/zinc/37/25/65/603372565.db2.gz SGTQRZBEXLGAON-LLVKDONJSA-N -2 0 386.433 2.821 20 30 GFEDRL N#CC(=C([O-])c1cnn([C@H]2CCCN(C(=O)[O-])C2)c1)c1nc2ccccc2o1 ZINC000833960124 605586377 /nfs/dbraw/zinc/58/63/77/605586377.db2.gz GBHXWOXJFLNSNB-KBPBESRZSA-N -2 0 379.376 2.829 20 30 GFEDRL CNC([S-])=C(C([O-])=C1C=CC(=NC(C)=O)C=C1)[n+]1cccc([O-])c1Cl ZINC000735665338 655650802 /nfs/dbraw/zinc/65/08/02/655650802.db2.gz BNRYDFYRUMFCLS-UHFFFAOYSA-O -2 0 378.861 2.534 20 30 GFEDRL N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000760360770 655977102 /nfs/dbraw/zinc/97/71/02/655977102.db2.gz FPFPNSMMQOWJMD-UHFFFAOYSA-N -2 0 384.772 2.880 20 30 GFEDRL CSc1[n-]c(=O)c(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1C#N ZINC000543681228 564359281 /nfs/dbraw/zinc/35/92/81/564359281.db2.gz XTUNUYLCKCQXFO-UHFFFAOYSA-N -2 0 380.769 2.900 20 30 GFEDRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000504062168 565034169 /nfs/dbraw/zinc/03/41/69/565034169.db2.gz SOEJMPZTNPHILL-UHFFFAOYSA-N -2 0 384.772 2.858 20 30 GFEDRL C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000614779430 565132093 /nfs/dbraw/zinc/13/20/93/565132093.db2.gz CWLWCLKQPNKPTQ-UHFFFAOYSA-N -2 0 381.435 2.555 20 30 GFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000610156680 566069095 /nfs/dbraw/zinc/06/90/95/566069095.db2.gz DSGPESQMYOLBPC-UHFFFAOYSA-N -2 0 381.753 2.619 20 30 GFEDRL C=CCn1c(=O)c2ccc(C(=O)Nc3cccc(C(=O)[O-])c3O)cc2[n-]c1=S ZINC000736118236 599719380 /nfs/dbraw/zinc/71/93/80/599719380.db2.gz SFNARDAHSDHNBL-UHFFFAOYSA-N -2 0 397.412 2.527 20 30 GFEDRL Cc1nc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)sc1SCC#N ZINC000738864908 599966875 /nfs/dbraw/zinc/96/68/75/599966875.db2.gz KWRFYMCYRBGXKU-UHFFFAOYSA-N -2 0 383.476 2.875 20 30 GFEDRL N#Cc1ccc(OC(F)F)c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000481951639 600629169 /nfs/dbraw/zinc/62/91/69/600629169.db2.gz GVHIQZCPMFUECU-UHFFFAOYSA-N -2 0 382.344 2.588 20 30 GFEDRL N#Cc1cc(S(=O)(=O)[N-]c2nc(CCCC(=O)[O-])cs2)ccc1Cl ZINC000833070727 601772695 /nfs/dbraw/zinc/77/26/95/601772695.db2.gz SIKCPUACULYGGN-UHFFFAOYSA-N -2 0 385.854 2.876 20 30 GFEDRL C[C@@H]1CC[C@@H](CC(=O)OCCc2c(C(=O)[O-])[n-]n(-c3ccc(C#N)cc3)c2=O)C1 ZINC000828221330 602385001 /nfs/dbraw/zinc/38/50/01/602385001.db2.gz MVBGTIUZQMIXFM-UKRRQHHQSA-N -2 0 397.431 2.647 20 30 GFEDRL N#CCCSc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000436998904 563687528 /nfs/dbraw/zinc/68/75/28/563687528.db2.gz ZQNSOBSARNPROS-UHFFFAOYSA-N -2 0 378.431 2.897 20 30 GFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)c(F)c1 ZINC000739132421 600660015 /nfs/dbraw/zinc/66/00/15/600660015.db2.gz PVHWLGQGAYTBPY-UHFFFAOYSA-N -2 0 392.393 2.648 20 30 GFEDRL C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000736106173 600887127 /nfs/dbraw/zinc/88/71/27/600887127.db2.gz RVPCWRXDUCSQOJ-UHFFFAOYSA-N -2 0 394.836 2.755 20 30 GFEDRL CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000462101325 601332414 /nfs/dbraw/zinc/33/24/14/601332414.db2.gz IUJOUQGEXUTXLN-UHFFFAOYSA-N -2 0 389.433 2.888 20 30 GFEDRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(C#N)c1 ZINC000435144352 605009568 /nfs/dbraw/zinc/00/95/68/605009568.db2.gz DSRWTWBVKAZJQG-UHFFFAOYSA-N -2 0 390.417 2.853 20 30 GFEDRL N#Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2Br)cc1 ZINC000032586036 654605410 /nfs/dbraw/zinc/60/54/10/654605410.db2.gz FQTDKWGEEBRMJN-UHFFFAOYSA-N -2 0 387.236 2.881 20 30 GFEDRL CC(=NNc1ccc(S(=O)(=O)[N-]c2nncs2)cc1)c1sccc1[O-] ZINC000769792212 656291815 /nfs/dbraw/zinc/29/18/15/656291815.db2.gz URAPZSCBFCGRMW-UHFFFAOYSA-N -2 0 395.491 2.942 20 30 GFEDRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000534402258 564987782 /nfs/dbraw/zinc/98/77/82/564987782.db2.gz OYGYUSQHQIUGFT-UHFFFAOYSA-N -2 0 384.772 2.858 20 30 GFEDRL CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=C([O-])c1ccc(C(=O)[O-])cc1 ZINC000820369305 598160036 /nfs/dbraw/zinc/16/00/36/598160036.db2.gz ZSKFBEODNUKPJO-CQSZACIVSA-N -2 0 382.372 2.712 20 30 GFEDRL CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000737194356 600233685 /nfs/dbraw/zinc/23/36/85/600233685.db2.gz HXJRVHOZTLKVTM-UHFFFAOYSA-N -2 0 382.344 2.734 20 30 GFEDRL C=CCC(CC=C)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000825660091 602189290 /nfs/dbraw/zinc/18/92/90/602189290.db2.gz SCFNCKKZGDLVJF-UHFFFAOYSA-N -2 0 391.367 2.977 20 30 GFEDRL Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000829828316 604214217 /nfs/dbraw/zinc/21/42/17/604214217.db2.gz PBJLUDHZLAHOSJ-HIFRSBDPSA-N -2 0 383.404 2.527 20 30 GFEDRL C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000833402394 605598318 /nfs/dbraw/zinc/59/83/18/605598318.db2.gz LHNBISAJJIUFGB-CYBMUJFWSA-N -2 0 386.429 2.894 20 30 GFEDRL Cc1cc([N-]S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)nn1CCC#N ZINC000271062701 655065556 /nfs/dbraw/zinc/06/55/56/655065556.db2.gz LUHKBNIDRPMMCS-UHFFFAOYSA-N -2 0 382.829 2.566 20 30 GFEDRL COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000766062629 656159344 /nfs/dbraw/zinc/15/93/44/656159344.db2.gz CZMVPLLHWCOOKN-UHFFFAOYSA-N -2 0 384.772 2.858 20 30 GFEDRL N#Cc1cccc([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)c1 ZINC000769620792 656282622 /nfs/dbraw/zinc/28/26/22/656282622.db2.gz GWLLQNLOSZKCJC-UHFFFAOYSA-N -2 0 387.236 2.881 20 30 GFEDRL Cc1c(Br)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000554430098 564760631 /nfs/dbraw/zinc/76/06/31/564760631.db2.gz DVKYURWSLZGGQW-UHFFFAOYSA-N -2 0 385.195 2.721 20 30 GFEDRL N#Cc1sccc1S(=O)(=O)[N-]c1ccc(N2CCCC2)cc1C(=O)[O-] ZINC000593210095 565321082 /nfs/dbraw/zinc/32/10/82/565321082.db2.gz IPLKXPYGUWJITR-UHFFFAOYSA-N -2 0 377.447 2.719 20 30 GFEDRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C#N)ccc1OC(F)F ZINC000466268525 599801287 /nfs/dbraw/zinc/80/12/87/599801287.db2.gz ZKQSPVDJIIHVTB-UHFFFAOYSA-N -2 0 382.344 2.967 20 30 GFEDRL CC(=O)C1=C(C(=O)[O-])N(CCCCCC(=O)[O-])C(=O)N[C@H]1c1cccc(C)c1 ZINC000736127733 599987862 /nfs/dbraw/zinc/98/78/62/599987862.db2.gz XKDVEMWIJXPSIG-KRWDZBQOSA-N -2 0 388.420 2.634 20 30 GFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2nc(-c3ccc(C(=O)[O-])cc3)cs2)cn1 ZINC000739132469 600052606 /nfs/dbraw/zinc/05/26/06/600052606.db2.gz SEDDBKDXIAMXJI-UHFFFAOYSA-N -2 0 386.414 2.576 20 30 GFEDRL CCC1=C(C(=O)[O-])[C@@H](c2ccc(C#N)o2)NC(=O)N1CCCCCC(=O)[O-] ZINC000829069822 600783790 /nfs/dbraw/zinc/78/37/90/600783790.db2.gz SBDOOZIFOROTFN-MRXNPFEDSA-N -2 0 375.381 2.611 20 30 GFEDRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000438770576 600898701 /nfs/dbraw/zinc/89/87/01/600898701.db2.gz KNUGYWHOEHJDLX-UHFFFAOYSA-N -2 0 389.389 2.629 20 30 GFEDRL C[C@H]1CC/C(=C/C(=O)OCCc2c(C(=O)[O-])[n-]n(-c3ccc(C#N)cc3)c2=O)C1 ZINC000828206841 601546255 /nfs/dbraw/zinc/54/62/55/601546255.db2.gz FDIBEFFRNIEWGE-WZMONFQBSA-N -2 0 395.415 2.568 20 30 GFEDRL Cn1ccnc1C(=O)C(C#N)=C([O-])c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000833057716 604734811 /nfs/dbraw/zinc/73/48/11/604734811.db2.gz GSBPESLLVBMAFX-LLVKDONJSA-N -2 0 380.282 2.734 20 30 GFEDRL C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2CC)cc1 ZINC000833376412 605417819 /nfs/dbraw/zinc/41/78/19/605417819.db2.gz DWLDMAXXNYMJKR-UHFFFAOYSA-N -2 0 393.421 2.649 20 30 GFEDRL N#Cc1ccc(O)c([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2)c1 ZINC000762473436 656043559 /nfs/dbraw/zinc/04/35/59/656043559.db2.gz LAWKNWIUJBBXJD-UHFFFAOYSA-N -2 0 397.206 2.525 20 30 GFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C(=O)[O-])s1 ZINC000435506607 563652770 /nfs/dbraw/zinc/65/27/70/563652770.db2.gz VTRZNHGJDIWMPY-UHFFFAOYSA-N -2 0 377.447 2.719 20 30 GFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(F)(F)F)o1 ZINC000489346024 564736832 /nfs/dbraw/zinc/73/68/32/564736832.db2.gz SKWZZFZTPHKSBC-UHFFFAOYSA-N -2 0 376.268 2.549 20 30 GFEDRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619462472 565342160 /nfs/dbraw/zinc/34/21/60/565342160.db2.gz YRCHLDYWGMCTJV-UHFFFAOYSA-N -2 0 380.809 2.914 20 30 GFEDRL C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000264498881 600815215 /nfs/dbraw/zinc/81/52/15/600815215.db2.gz KRONPDCYWQMKAV-LLVKDONJSA-N -2 0 379.463 2.918 20 30 GFEDRL N#Cc1ccc(CS(=O)(=O)[N-]C(=O)c2ccc(NC(=O)[O-])cc2Cl)cc1 ZINC000740314006 602958457 /nfs/dbraw/zinc/95/84/57/602958457.db2.gz BXXGQXUUVIABBT-UHFFFAOYSA-N -2 0 393.808 2.561 20 30 GFEDRL C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000743264233 604991133 /nfs/dbraw/zinc/99/11/33/604991133.db2.gz IWKWDWYXTNECLC-UHFFFAOYSA-N -2 0 383.784 2.990 20 30 GFEDRL C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000833402670 605598476 /nfs/dbraw/zinc/59/84/76/605598476.db2.gz SBJAKHCOLZJIAF-VIFPVBQESA-N -2 0 381.797 2.525 20 30 GFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2cc(Br)cc(C(=O)[O-])c2)s1 ZINC000230326221 553065101 /nfs/dbraw/zinc/06/51/01/553065101.db2.gz SXHNZQJMCXBNEG-UHFFFAOYSA-N -2 0 387.236 2.881 20 30 GFEDRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C#N)ccc1OC(F)F ZINC000609069373 599801358 /nfs/dbraw/zinc/80/13/58/599801358.db2.gz UXYAOMOITOLJJS-UHFFFAOYSA-N -2 0 382.344 2.967 20 30 GFEDRL C=CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(=O)OC)c1 ZINC000736114093 599814899 /nfs/dbraw/zinc/81/48/99/599814899.db2.gz MWXJRMMBVNUZEB-UHFFFAOYSA-N -2 0 397.430 2.599 20 30 GFEDRL C[C@H]1CCC[C@H](C(=O)OCCc2c(C(=O)[O-])[n-]n(-c3ccc(C#N)cc3)c2=O)C1 ZINC000828232554 600943403 /nfs/dbraw/zinc/94/34/03/600943403.db2.gz HJGNQXDRQYVGFY-ZFWWWQNUSA-N -2 0 397.431 2.647 20 30 GFEDRL CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])n1 ZINC000833452671 605151422 /nfs/dbraw/zinc/15/14/22/605151422.db2.gz FEUYZFYGNIVTSM-UHFFFAOYSA-N -2 0 399.432 2.557 20 30 GFEDRL N#Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc([O-])c([N+](=O)[O-])c1 ZINC000821199651 660318639 /nfs/dbraw/zinc/31/86/39/660318639.db2.gz ZSYYXZGTCMJXGH-UHFFFAOYSA-N -2 0 398.194 2.735 20 30 GFEDRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)nn1CCC#N ZINC000271034995 655064592 /nfs/dbraw/zinc/06/45/92/655064592.db2.gz IZKSHKQIHBVPRT-UHFFFAOYSA-N -2 0 382.829 2.566 20 30 GFEDRL N#Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1Cl ZINC000432197516 563577343 /nfs/dbraw/zinc/57/73/43/563577343.db2.gz ZEJPYITXLTVECN-UHFFFAOYSA-N -2 0 381.753 2.619 20 30 GFEDRL N#Cc1c(Br)cccc1S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-] ZINC000550111409 564615073 /nfs/dbraw/zinc/61/50/73/564615073.db2.gz OLKAWBUIQYANQH-UHFFFAOYSA-N -2 0 399.197 2.959 20 30 GFEDRL CSc1[n-]c(=O)c(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])cc1C#N ZINC000832771020 600724259 /nfs/dbraw/zinc/72/42/59/600724259.db2.gz VPIPDCFZBCJLFH-LBPRGKRZSA-N -2 0 385.445 2.744 20 30 GFEDRL C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000736076032 600899540 /nfs/dbraw/zinc/89/95/40/600899540.db2.gz JVBMJIGKHSZDHG-UHFFFAOYSA-N -2 0 383.784 2.990 20 30 GFEDRL CC1=C(C(=O)[O-])[C@H](c2ccc(C#N)s2)NC(=O)N1CCCCCC(=O)[O-] ZINC000828134167 601202441 /nfs/dbraw/zinc/20/24/41/601202441.db2.gz DGMBWLPGWKGHND-HNNXBMFYSA-N -2 0 377.422 2.690 20 30 GFEDRL CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)n1 ZINC000267970290 601829421 /nfs/dbraw/zinc/82/94/21/601829421.db2.gz BKBXWBKEJRQHNO-UHFFFAOYSA-N -2 0 382.829 2.662 20 30 GFEDRL N#CCCCOc1cccnc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000833065644 601844338 /nfs/dbraw/zinc/84/43/38/601844338.db2.gz IJPMJFJRVNZDBM-UHFFFAOYSA-N -2 0 395.824 2.917 20 30 GFEDRL N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1csc(CNC(=O)[O-])n1 ZINC000740302866 602728171 /nfs/dbraw/zinc/72/81/71/602728171.db2.gz FBBFSHCSMDHWIR-SNVBAGLBSA-N -2 0 378.797 2.525 20 30 GFEDRL Cc1ccc(C#N)cc1S(=O)(=O)[N-]C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000740107216 602964534 /nfs/dbraw/zinc/96/45/34/602964534.db2.gz YMTYFEMXOBFCRJ-UHFFFAOYSA-N -2 0 393.808 2.729 20 30 GFEDRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(C#N)c1 ZINC000831946794 605010020 /nfs/dbraw/zinc/01/00/20/605010020.db2.gz YOIAGIKWCCLIHY-UHFFFAOYSA-N -2 0 396.446 2.915 20 30 GFEDRL O=C([N-]C[C@H]1CCC[C@H]([N-]C(=O)C(F)(F)C(F)F)C1)C(F)(F)C(F)F ZINC000749388515 655804018 /nfs/dbraw/zinc/80/40/18/655804018.db2.gz YBVYXNYBTXVGGE-BQBZGAKWSA-N -2 0 384.267 2.578 20 30 GFEDRL N#Cc1ccccc1S(=O)(=O)[N-]c1cc(Br)cc(C(=O)[O-])c1 ZINC000388218329 563520686 /nfs/dbraw/zinc/52/06/86/563520686.db2.gz WBXVEKLMPYLXNX-UHFFFAOYSA-N -2 0 381.207 2.820 20 30 GFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000525482160 564702421 /nfs/dbraw/zinc/70/24/21/564702421.db2.gz DWIKCYJFWJSMEN-UHFFFAOYSA-N -2 0 381.753 2.619 20 30 GFEDRL N#Cc1ccc(OC(F)F)c([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1 ZINC000739121842 599802118 /nfs/dbraw/zinc/80/21/18/599802118.db2.gz WKDJVVXZEJKYEB-UHFFFAOYSA-N -2 0 386.307 2.798 20 30 GFEDRL CC(C)(C)CCC(=O)OCCc1c(C(=O)[O-])[n-]n(-c2ccc(C#N)cc2)c1=O ZINC000736250075 600510388 /nfs/dbraw/zinc/51/03/88/600510388.db2.gz CALIMAPLXFGXEL-UHFFFAOYSA-N -2 0 385.420 2.647 20 30 GFEDRL C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000736089455 600900609 /nfs/dbraw/zinc/90/06/09/600900609.db2.gz LDRFLYDASFVCSQ-UHFFFAOYSA-N -2 0 383.784 2.990 20 30 GFEDRL N#CCCCOc1cccnc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000833066004 600981303 /nfs/dbraw/zinc/98/13/03/600981303.db2.gz RJFWMHKHESGAML-UHFFFAOYSA-N -2 0 395.824 2.917 20 30 GFEDRL CC1=C(C(=O)[O-])[C@@H](c2cc(C#N)cs2)NC(=O)N1CCCCCC(=O)[O-] ZINC000828136638 601376549 /nfs/dbraw/zinc/37/65/49/601376549.db2.gz XCTOYMXNKKITHR-OAHLLOKOSA-N -2 0 377.422 2.690 20 30 GFEDRL CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000827038508 601837587 /nfs/dbraw/zinc/83/75/87/601837587.db2.gz PBYUFPVCHVCOOV-UHFFFAOYSA-N -2 0 395.824 2.893 20 30 GFEDRL C#CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000730996904 601840740 /nfs/dbraw/zinc/84/07/40/601840740.db2.gz ZZNHABBIBIEKBD-UHFFFAOYSA-N -2 0 383.784 2.990 20 30 GFEDRL N#CC(=C([O-])c1cn(C2CCN(C(=O)[O-])CC2)nn1)c1ccc2ccccc2n1 ZINC000740304104 602213202 /nfs/dbraw/zinc/21/32/02/602213202.db2.gz QIGHBVJOUBKYEO-OAHLLOKOSA-N -2 0 390.403 2.631 20 30 GFEDRL C=CCn1c(=O)c2ccc(C(=O)Nc3cc(C(=O)[O-])cs3)cc2[n-]c1=S ZINC000825711117 602284282 /nfs/dbraw/zinc/28/42/82/602284282.db2.gz PLBBLGAXVLJKOV-UHFFFAOYSA-N -2 0 387.442 2.883 20 30 GFEDRL COc1ccc(CCNC(=O)C(C#N)=C([O-])c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000739898512 602565859 /nfs/dbraw/zinc/56/58/59/602565859.db2.gz SZSIFTUBNDKXSF-HNNXBMFYSA-N -2 0 399.378 2.606 20 30 GFEDRL N#Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(F)c(NC(=O)[O-])c2)cc1Cl ZINC000740321407 602566750 /nfs/dbraw/zinc/56/67/50/602566750.db2.gz KYKGAJHTNNERBR-UHFFFAOYSA-N -2 0 397.771 2.559 20 30 GFEDRL N#CC(=C([O-])c1csc(CNC(=O)[O-])n1)c1nc(-c2ccncc2)cs1 ZINC000740304298 603170608 /nfs/dbraw/zinc/17/06/08/603170608.db2.gz SDXYFYGFYKNNAP-SNVBAGLBSA-N -2 0 385.430 2.919 20 30 GFEDRL N#Cc1ccc([O-])c(NC(=O)c2cccc(I)c2[O-])c1 ZINC000755623460 655886411 /nfs/dbraw/zinc/88/64/11/655886411.db2.gz PFUOCYKOLAYGKH-UHFFFAOYSA-N -2 0 380.141 2.826 20 30 GFEDRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1C(=O)[O-] ZINC000790388351 657966198 /nfs/dbraw/zinc/96/61/98/657966198.db2.gz FIHXLOJQOOMOTM-UHFFFAOYSA-N -2 0 384.772 2.858 20 30 GFEDRL C/C(=C/C(=O)OCCc1c(C(=O)[O-])[n-]n(-c2ccc(C#N)cc2)c1=O)C(C)(C)C ZINC000825724437 600943151 /nfs/dbraw/zinc/94/31/51/600943151.db2.gz OUSDBAWWVSFUSN-QBFSEMIESA-N -2 0 397.431 2.814 20 30 GFEDRL CSc1[n-]c(=O)c(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1C#N ZINC000832770764 601760199 /nfs/dbraw/zinc/76/01/99/601760199.db2.gz DYBQZVSTKBIJBY-ZDUSSCGKSA-N -2 0 391.836 2.980 20 30 GFEDRL CC(C)CC(C)(C)C(=O)OCCc1c(C(=O)[O-])[n-]n(-c2ccc(C#N)cc2)c1=O ZINC000826759790 601842944 /nfs/dbraw/zinc/84/29/44/601842944.db2.gz NZDKKVHSNLRZGU-UHFFFAOYSA-N -2 0 399.447 2.893 20 30 GFEDRL Cc1csc(C(C#N)=C([O-])COC(=O)C[C@@H](C)C2CCN(C(=O)[O-])CC2)n1 ZINC000830655200 605235280 /nfs/dbraw/zinc/23/52/80/605235280.db2.gz KQIFRVWYBHVRIZ-BXUZGUMPSA-N -2 0 393.465 2.587 20 30 GFEDRL CC[C@@H](C)[C@@H](C)C(=O)OCCc1c(C(=O)[O-])[n-]n(-c2ccc(C#N)cc2)c1=O ZINC000833639299 605679981 /nfs/dbraw/zinc/67/99/81/605679981.db2.gz RVXCSRMFMQCPQU-CHWSQXEVSA-N -2 0 385.420 2.503 20 30 GFEDRL CC[C@H](NN=Cc1cc(Br)c([O-])c(Br)c1)C(=O)[O-] ZINC000793056585 658353753 /nfs/dbraw/zinc/35/37/53/658353753.db2.gz HEJIQHOTBWVORY-VIFPVBQESA-N -2 0 380.036 2.704 20 30 GFEDRL O=C([O-])C[C@H](CC[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(F)(F)F ZINC000584116674 564921764 /nfs/dbraw/zinc/92/17/64/564921764.db2.gz GFWNXZOSZYCXMQ-YFKPBYRVSA-N -2 0 397.268 2.565 20 30 GFEDRL CC1=C(C(=O)[O-])[C@H](c2ccc(C#N)cc2)NC(=O)N1Cc1ccc(C(=O)[O-])cc1 ZINC000736744522 599992818 /nfs/dbraw/zinc/99/28/18/599992818.db2.gz CCOHFEBAMINXJC-SFHVURJKSA-N -2 0 391.383 2.882 20 30 GFEDRL Cc1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)sc1SCC#N ZINC000738546050 600056012 /nfs/dbraw/zinc/05/60/12/600056012.db2.gz ANCABBMZFXVYQQ-UHFFFAOYSA-N -2 0 383.476 2.875 20 30 GFEDRL C[C@@H](C(=O)OCCc1c(C(=O)[O-])[n-]n(-c2ccc(C#N)cc2)c1=O)C(C)(C)C ZINC000736226253 600203220 /nfs/dbraw/zinc/20/32/20/600203220.db2.gz FQQLHVJMGFUEJM-LBPRGKRZSA-N -2 0 385.420 2.503 20 30 GFEDRL CSc1[n-]c(=O)c(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)cc1C#N ZINC000832770701 600814992 /nfs/dbraw/zinc/81/49/92/600814992.db2.gz BMYUGBSUPDVVTH-CYBMUJFWSA-N -2 0 391.836 2.980 20 30 GFEDRL C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000825625994 601333003 /nfs/dbraw/zinc/33/30/03/601333003.db2.gz SEDMJGJPHBAOGF-YHYXMXQVSA-N -2 0 375.377 2.736 20 30 GFEDRL N#Cc1cc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(Cl)cc2)c(F)c1 ZINC000833069702 601984808 /nfs/dbraw/zinc/98/48/08/601984808.db2.gz MTAKZFUFNMWHGU-ZDUSSCGKSA-N -2 0 386.763 2.594 20 30 GFEDRL Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000829828267 605345841 /nfs/dbraw/zinc/34/58/41/605345841.db2.gz OIHBJIAHTDECHT-JSGCOSHPSA-N -2 0 385.445 2.853 20 30 GFEDRL Cc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)nn1CCC#N ZINC000271021553 655064140 /nfs/dbraw/zinc/06/41/40/655064140.db2.gz GDSVOOFHOHRWDN-UHFFFAOYSA-N -2 0 382.829 2.566 20 30 GFEDRL N#Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)c1 ZINC000751216438 655823211 /nfs/dbraw/zinc/82/32/11/655823211.db2.gz JNQPVHUHWFKORZ-UHFFFAOYSA-N -2 0 397.206 2.525 20 30 GFEDRL N#Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-] ZINC000572784277 564609790 /nfs/dbraw/zinc/60/97/90/564609790.db2.gz XPPRDYHFLGYIJS-UHFFFAOYSA-N -2 0 399.197 2.959 20 30 GFEDRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ncccc1OCCCC#N ZINC000738348216 600103683 /nfs/dbraw/zinc/10/36/83/600103683.db2.gz YMVNXSWGUJHOFY-UHFFFAOYSA-N -2 0 375.406 2.572 20 30 GFEDRL CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(CCC#N)n1 ZINC000278012419 563236208 /nfs/dbraw/zinc/23/62/08/563236208.db2.gz FQSWGNRZXNKXHK-UHFFFAOYSA-N -2 0 382.467 2.655 20 30 GFEDRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000479491091 564442597 /nfs/dbraw/zinc/44/25/97/564442597.db2.gz URUQZYJESRTRPF-UHFFFAOYSA-N -2 0 384.772 2.858 20 30 GFEDRL C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000825687267 601319194 /nfs/dbraw/zinc/31/91/94/601319194.db2.gz HQZITZDLIKIBNM-XFXZXTDPSA-N -2 0 386.429 2.501 20 30 GFEDRL Cc1cnn(-c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC000833754562 605190980 /nfs/dbraw/zinc/19/09/80/605190980.db2.gz VNPCRQSPMDOCMV-UHFFFAOYSA-N -2 0 382.401 2.551 20 30 GFEDRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1C(=O)[O-] ZINC000790382380 657965379 /nfs/dbraw/zinc/96/53/79/657965379.db2.gz BYSQRITYLZXOEO-UHFFFAOYSA-N -2 0 380.809 2.914 20 30 GFEDRL N#Cc1cccc([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2F)c1 ZINC000193041042 552981410 /nfs/dbraw/zinc/98/14/10/552981410.db2.gz OSBYTKZQGBJPJT-UHFFFAOYSA-N -2 0 399.197 2.959 20 30 GFEDRL N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000479511603 564442890 /nfs/dbraw/zinc/44/28/90/564442890.db2.gz LJMMGVIEPRQLHE-UHFFFAOYSA-N -2 0 381.753 2.619 20 30 GFEDRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccc(OCCCC#N)c1 ZINC000831945538 601203206 /nfs/dbraw/zinc/20/32/06/601203206.db2.gz JYLKKXVJUQVQGG-UHFFFAOYSA-N -2 0 396.446 2.938 20 30 GFEDRL N#Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(CSCC(=O)[O-])c2)c(F)c1 ZINC000833069892 601861618 /nfs/dbraw/zinc/86/16/18/601861618.db2.gz ZUWQADMDMBUNOG-UHFFFAOYSA-N -2 0 398.412 2.955 20 30 GFEDRL CCC(=CC(=O)OCCc1c(C(=O)[O-])[n-]n(-c2ccc(C#N)cc2)c1=O)CC ZINC000828549805 602384984 /nfs/dbraw/zinc/38/49/84/602384984.db2.gz QYHZNTOSWNDCPY-UHFFFAOYSA-N -2 0 383.404 2.568 20 30 GFEDRL C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000833402238 605598170 /nfs/dbraw/zinc/59/81/70/605598170.db2.gz GMOWLILZCHNPSC-CYBMUJFWSA-N -2 0 390.417 2.632 20 30 GFEDRL C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000833402594 605598218 /nfs/dbraw/zinc/59/82/18/605598218.db2.gz QNXCIYZXTQIQEQ-VIFPVBQESA-N -2 0 382.344 2.755 20 30 GFEDRL C#CCCCCCC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000833361892 605680034 /nfs/dbraw/zinc/68/00/34/605680034.db2.gz QTLQZEQDRLVOLV-UHFFFAOYSA-N -2 0 391.367 2.792 20 30 GFEDRL N#Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2Br)cc1 ZINC000753524792 655855606 /nfs/dbraw/zinc/85/56/06/655855606.db2.gz YBRKEUHPOXJRAR-UHFFFAOYSA-N -2 0 399.197 2.959 20 30 GFEDRL C=CCC[C@H](NS(=O)(=O)c1cc(Br)ccc1OCC)C(=O)[O-] ZINC000315729538 563440807 /nfs/dbraw/zinc/44/08/07/563440807.db2.gz DYGBHDVTFFYBHO-NSHDSACASA-N -2 0 392.271 2.546 20 30 GFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C(=O)[O-])cc1Cl ZINC000326807911 563455765 /nfs/dbraw/zinc/45/57/65/563455765.db2.gz DVHLLMOZLCDPLE-UHFFFAOYSA-N -2 0 381.753 2.619 20 30 GFEDRL CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000830635865 601881709 /nfs/dbraw/zinc/88/17/09/601881709.db2.gz SLAPSOLPHSMAJG-UHFFFAOYSA-N -2 0 379.825 2.777 20 30 GFEDRL N#Cc1cccc(CS(=O)(=O)[N-]C(=O)c2ccc(NC(=O)[O-])cc2Cl)c1 ZINC000740320138 602962086 /nfs/dbraw/zinc/96/20/86/602962086.db2.gz IALWDZJDYMZZSD-UHFFFAOYSA-N -2 0 393.808 2.561 20 30 GFEDRL C[C@@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000825449156 603837328 /nfs/dbraw/zinc/83/73/28/603837328.db2.gz KZGNWNMCJDUWTE-SECBINFHSA-N -2 0 381.360 2.966 20 30 GFEDRL CC(C(=O)OCCc1c(C(=O)[O-])[n-]n(-c2ccc(C#N)cc2)c1=O)=C1CCCC1 ZINC000833410387 605132773 /nfs/dbraw/zinc/13/27/73/605132773.db2.gz XNGTVEPCUHRAIS-UHFFFAOYSA-N -2 0 395.415 2.712 20 30 GFEDRL C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000581868942 564821139 /nfs/dbraw/zinc/82/11/39/564821139.db2.gz JDGAVLNFFMYWEN-QMMMGPOBSA-N -2 0 383.209 2.599 20 30 GFEDRL Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(F)F)cc1C(=O)[O-] ZINC000524379562 600814764 /nfs/dbraw/zinc/81/47/64/600814764.db2.gz LDSWONGGGSPYHZ-UHFFFAOYSA-N -2 0 382.344 2.967 20 30 GFEDRL C[C@H]1CCC[C@@H](C(=O)OCCc2c(C(=O)[O-])[n-]n(-c3ccc(C#N)cc3)c2=O)C1 ZINC000828232547 600943537 /nfs/dbraw/zinc/94/35/37/600943537.db2.gz HJGNQXDRQYVGFY-DZGCQCFKSA-N -2 0 397.431 2.647 20 30 GFEDRL Cc1cscc1C(=O)OCCc1c(C(=O)[O-])[n-]n(-c2ccc(C#N)cc2)c1=O ZINC000832989907 601142258 /nfs/dbraw/zinc/14/22/58/601142258.db2.gz JNLVJBXLOFINIR-UHFFFAOYSA-N -2 0 397.412 2.505 20 30 GFEDRL C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000825631889 601332852 /nfs/dbraw/zinc/33/28/52/601332852.db2.gz NQLFXFUVYJZKFN-YHYXMXQVSA-N -2 0 375.377 2.736 20 30 GFEDRL COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc(NC(=O)[O-])c(C)c2)cc1 ZINC000829372903 605345545 /nfs/dbraw/zinc/34/55/45/605345545.db2.gz YOARLKKNCCCRDS-MRXNPFEDSA-N -2 0 381.388 2.732 20 30 GFEDRL N#CC(=C([O-])c1cnn([C@@H]2CCCN(C(=O)[O-])C2)c1)c1nc2ccccc2o1 ZINC000833960127 605586505 /nfs/dbraw/zinc/58/65/05/605586505.db2.gz GBHXWOXJFLNSNB-ZIAGYGMSSA-N -2 0 379.376 2.829 20 30 GFEDRL COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C#N)c2)cc1CC(=O)[O-] ZINC000537036035 565051902 /nfs/dbraw/zinc/05/19/02/565051902.db2.gz IQRQVKUIXJKQAH-UHFFFAOYSA-N -2 0 380.809 2.648 20 30 GFEDRL C=CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)OC)sc2C(=O)[O-])c1 ZINC000736114582 599815085 /nfs/dbraw/zinc/81/50/85/599815085.db2.gz XXFCKWCVPGGKNK-UHFFFAOYSA-N -2 0 397.430 2.599 20 30 GFEDRL CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000736486509 600097245 /nfs/dbraw/zinc/09/72/45/600097245.db2.gz WWBFZVFSWGVANW-UHFFFAOYSA-N -2 0 378.381 2.984 20 30 GFEDRL COc1ccc(S(=O)(=O)[N-]c2nc(C)c(SCC#N)s2)cc1C(=O)[O-] ZINC000738070107 600659196 /nfs/dbraw/zinc/65/91/96/600659196.db2.gz ZSAUTZZTQIBTGQ-UHFFFAOYSA-N -2 0 399.475 2.575 20 30 GFEDRL Cc1cc(S(=O)(=O)[N-]c2ncccc2OCCCC#N)ccc1C(=O)[O-] ZINC000832904253 600981500 /nfs/dbraw/zinc/98/15/00/600981500.db2.gz CCDUCMYAVATVMM-UHFFFAOYSA-N -2 0 375.406 2.572 20 30 GFEDRL Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1csc(CNC(=O)[O-])n1 ZINC000740034861 602728365 /nfs/dbraw/zinc/72/83/65/602728365.db2.gz NKSCYAHWSYCDKK-LLVKDONJSA-N -2 0 382.401 2.906 20 30 GFEDRL C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000438795681 604990895 /nfs/dbraw/zinc/99/08/95/604990895.db2.gz PISSEIUGUMDGRY-UHFFFAOYSA-N -2 0 394.836 2.755 20 30 GFEDRL N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(Br)c(C(=O)[O-])c1 ZINC000157130518 551533585 /nfs/dbraw/zinc/53/35/85/551533585.db2.gz AVTIUVJLMYLXGB-UHFFFAOYSA-N -2 0 381.207 2.820 20 30 GFEDRL N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C(=O)[O-])c1 ZINC000327204172 563457368 /nfs/dbraw/zinc/45/73/68/563457368.db2.gz PKELMLWBYVMRCX-UHFFFAOYSA-N -2 0 381.753 2.619 20 30 GFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)cc1Br ZINC000436961772 563686805 /nfs/dbraw/zinc/68/68/05/563686805.db2.gz AKJIKKSGGOOSGF-UHFFFAOYSA-N -2 0 397.206 2.525 20 30 GFEDRL Cc1nc(S(=O)(=O)[N-]c2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)cn1C ZINC000738868630 600023189 /nfs/dbraw/zinc/02/31/89/600023189.db2.gz LFOWMKGRMMUCNS-UHFFFAOYSA-N -2 0 395.440 2.627 20 30 GFEDRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ncccc1OCCCC#N ZINC000738546263 600103717 /nfs/dbraw/zinc/10/37/17/600103717.db2.gz PUDXJIAKKQGOJI-UHFFFAOYSA-N -2 0 375.406 2.572 20 30 GFEDRL CC1=C(C(=O)[O-])[C@H](c2cc(C#N)cs2)NC(=O)N1Cc1ccc(C(=O)[O-])cc1 ZINC000828136574 601376364 /nfs/dbraw/zinc/37/63/64/601376364.db2.gz WLJNVNGJIJWSDA-INIZCTEOSA-N -2 0 397.412 2.943 20 30 GFEDRL C[C@@H]1CC[C@H](CC(=O)OCCc2c(C(=O)[O-])[n-]n(-c3ccc(C#N)cc3)c2=O)C1 ZINC000828221329 602385017 /nfs/dbraw/zinc/38/50/17/602385017.db2.gz MVBGTIUZQMIXFM-HIFRSBDPSA-N -2 0 397.431 2.647 20 30 GFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2NC(=O)[O-])cn1 ZINC000740321301 602652666 /nfs/dbraw/zinc/65/26/66/602652666.db2.gz FXWGAQAQZZQCCK-UHFFFAOYSA-N -2 0 386.311 2.863 20 30 GFEDRL Cn1ccnc1C(=O)C(C#N)=C([O-])c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000833057719 604734879 /nfs/dbraw/zinc/73/48/79/604734879.db2.gz GSBPESLLVBMAFX-NSHDSACASA-N -2 0 380.282 2.734 20 30 GFEDRL N#Cc1cccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)cn2)c1 ZINC000739140184 599737735 /nfs/dbraw/zinc/73/77/35/599737735.db2.gz PUAUTFHYFVTTTG-UHFFFAOYSA-N -2 0 385.357 2.838 20 30 GFEDRL C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000741660193 601829914 /nfs/dbraw/zinc/82/99/14/601829914.db2.gz NFAVYWJZWKJQDV-UHFFFAOYSA-N -2 0 383.784 2.990 20 30 GFEDRL COc1ccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1NC(=O)[O-] ZINC000829483451 603835498 /nfs/dbraw/zinc/83/54/98/603835498.db2.gz HYQZNVLNXQPZPN-UHFFFAOYSA-N -2 0 383.332 2.736 20 30 GFEDRL C[C@@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000825449588 604427309 /nfs/dbraw/zinc/42/73/09/604427309.db2.gz UJGWRCAPVBXUPE-SNVBAGLBSA-N -2 0 390.377 2.596 20 30 GFEDRL C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000833374535 605184488 /nfs/dbraw/zinc/18/44/88/605184488.db2.gz OWMVHNNIGWUCQB-UHFFFAOYSA-N -2 0 390.417 2.593 20 30 GFEDRL O=C([N-]C[C@@H]1CCC[C@@H]([N-]C(=O)C(F)(F)C(F)F)C1)C(F)(F)C(F)F ZINC000749388517 655804037 /nfs/dbraw/zinc/80/40/37/655804037.db2.gz YBVYXNYBTXVGGE-RNFRBKRXSA-N -2 0 384.267 2.578 20 30 GFEDRL Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)nn1CCC#N ZINC000280857389 563358250 /nfs/dbraw/zinc/35/82/50/563358250.db2.gz BYEUIPYFOFNNGD-UHFFFAOYSA-N -2 0 382.829 2.566 20 30 GFEDRL N#Cc1cccnc1Oc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000739143196 599737695 /nfs/dbraw/zinc/73/76/95/599737695.db2.gz YPLQUAKXFUFMPN-UHFFFAOYSA-N -2 0 385.357 2.838 20 30 GFEDRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1OC ZINC000484989883 600897705 /nfs/dbraw/zinc/89/77/05/600897705.db2.gz ULOMHADJEDRFMK-UHFFFAOYSA-N -2 0 396.808 2.728 20 30 GFEDRL CC1=C(C(=O)[O-])[C@H](c2cc(C#N)cs2)NC(=O)N1CCCCCC(=O)[O-] ZINC000828136637 601376466 /nfs/dbraw/zinc/37/64/66/601376466.db2.gz XCTOYMXNKKITHR-HNNXBMFYSA-N -2 0 377.422 2.690 20 30 GFEDRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000471109245 602113715 /nfs/dbraw/zinc/11/37/15/602113715.db2.gz WGTOVHPSECVJHG-UHFFFAOYSA-N -2 0 389.389 2.629 20 30 GFEDRL CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000829809237 602308087 /nfs/dbraw/zinc/30/80/87/602308087.db2.gz WMIKDGCQELDSGO-UHFFFAOYSA-N -2 0 381.360 2.767 20 30 GFEDRL CC[C@@H](NN=Cc1cc(Br)cc(Br)c1[O-])C(=O)[O-] ZINC000793073377 658356172 /nfs/dbraw/zinc/35/61/72/658356172.db2.gz UINSPAMFZNEJTG-SECBINFHSA-N -2 0 380.036 2.704 20 30 GFEDRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ncccc2OCCCC#N)c1C ZINC000832866690 601360669 /nfs/dbraw/zinc/36/06/69/601360669.db2.gz UBCPWSKEBOWLBR-UHFFFAOYSA-N -2 0 389.433 2.880 20 30 GFEDRL C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000825966632 601840835 /nfs/dbraw/zinc/84/08/35/601840835.db2.gz IMNGKVLIPTWJNJ-VIFPVBQESA-N -2 0 383.476 2.894 20 30 GFEDRL N#CC(=C([O-])c1csc(CNC(=O)[O-])n1)c1nc(-c2ccncc2)cs1 ZINC000740304297 603170843 /nfs/dbraw/zinc/17/08/43/603170843.db2.gz SDXYFYGFYKNNAP-JTQLQIEISA-N -2 0 385.430 2.919 20 30 GFEDRL COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c(OC)c1C(=O)[O-] ZINC000833734403 604859690 /nfs/dbraw/zinc/85/96/90/604859690.db2.gz BTCCUBRKCNLBKZ-UHFFFAOYSA-N -2 0 396.808 2.728 20 30 GFEDRL CC[C@H](NN=Cc1cc(Br)cc(Br)c1[O-])C(=O)[O-] ZINC000793073378 658356002 /nfs/dbraw/zinc/35/60/02/658356002.db2.gz UINSPAMFZNEJTG-VIFPVBQESA-N -2 0 380.036 2.704 20 30 GFEDRL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1nn(C(C)C)cc1C#N ZINC000479444321 564440660 /nfs/dbraw/zinc/44/06/60/564440660.db2.gz XHBZEIYFTGVTPS-UHFFFAOYSA-N -2 0 382.829 2.797 20 30 GFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(Cl)c1 ZINC000504044969 565033375 /nfs/dbraw/zinc/03/33/75/565033375.db2.gz QBXJGDFUFGIISF-UHFFFAOYSA-N -2 0 381.753 2.619 20 30 GFEDRL C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000264525997 600815250 /nfs/dbraw/zinc/81/52/50/600815250.db2.gz LWEUTTCNOYPRBP-NSHDSACASA-N -2 0 379.463 2.776 20 30 GFEDRL C[C@H](C(=O)OCCc1c(C(=O)[O-])[n-]n(-c2ccc(C#N)cc2)c1=O)C1CCCC1 ZINC000826064515 601142017 /nfs/dbraw/zinc/14/20/17/601142017.db2.gz LOHUZRNRBDDNCZ-ZDUSSCGKSA-N -2 0 397.431 2.647 20 30 GFEDRL CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000829519813 601204631 /nfs/dbraw/zinc/20/46/31/601204631.db2.gz UUHQJAGYCFQNNZ-UHFFFAOYSA-N -2 0 395.462 2.949 20 30 GFEDRL N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)c(F)c1 ZINC000833069665 601861652 /nfs/dbraw/zinc/86/16/52/601861652.db2.gz KRVQRLVDBHBRGI-UHFFFAOYSA-N -2 0 396.371 2.881 20 30 GFEDRL Cc1csc(C(C#N)=C([O-])COC(=O)C[C@H](C)[C@@H]2CCCN(C(=O)[O-])C2)n1 ZINC000830655426 604540165 /nfs/dbraw/zinc/54/01/65/604540165.db2.gz QMDQRSAEEGAQNX-IACUBPJLSA-N -2 0 393.465 2.587 20 30 GFEDRL C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833515165 604690182 /nfs/dbraw/zinc/69/01/82/604690182.db2.gz AGPODHJLXPCNOR-LLVKDONJSA-N -2 0 377.447 2.975 20 30 GFEDRL N#Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2Br)c1 ZINC000032586434 654605435 /nfs/dbraw/zinc/60/54/35/654605435.db2.gz YMXKYDYMADZLHU-UHFFFAOYSA-N -2 0 387.236 2.881 20 30 GFEDRL C#CCCc1noc(-c2ccc([N-]S(=O)(=O)c3cccs3)cc2[O-])n1 ZINC000762000106 656027616 /nfs/dbraw/zinc/02/76/16/656027616.db2.gz YWROUCOMNIBAEM-UHFFFAOYSA-N -2 0 375.431 2.870 20 30 GFEDRL O=C([N-]C[C@H]([N-]C(=O)C(F)(F)C(F)F)C1CCCC1)C(F)(F)C(F)F ZINC000768300157 656236606 /nfs/dbraw/zinc/23/66/06/656236606.db2.gz CCVJKGIMJKKGFT-ZETCQYMHSA-N -2 0 384.267 2.578 20 30 GFEDRL COc1cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c(Cl)cc1C(=O)[O-] ZINC000485278595 564611701 /nfs/dbraw/zinc/61/17/01/564611701.db2.gz RUCTZISVSJIWLY-UHFFFAOYSA-N -2 0 380.809 2.914 20 30 GFEDRL Cc1c(Br)cc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1C(=O)[O-] ZINC000489480768 564741134 /nfs/dbraw/zinc/74/11/34/564741134.db2.gz UQKCQHWFXCFGSD-UHFFFAOYSA-N -2 0 385.195 2.721 20 30 GFEDRL C=CCN(CC=C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000736108912 599738249 /nfs/dbraw/zinc/73/82/49/599738249.db2.gz VZHPJIYCSZUQCC-UHFFFAOYSA-N -2 0 390.417 2.593 20 30 GFEDRL Cc1oc(C)c(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(F)F)c1C(=O)[O-] ZINC000738968854 599801679 /nfs/dbraw/zinc/80/16/79/599801679.db2.gz DPEWFNDJDDINIR-UHFFFAOYSA-N -2 0 386.332 2.869 20 30 GFEDRL Cc1nc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])sc1SCC#N ZINC000738747599 600056183 /nfs/dbraw/zinc/05/61/83/600056183.db2.gz YBULASGVJTZKHT-UHFFFAOYSA-N -2 0 383.476 2.875 20 30 GFEDRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C#N)cc3)cc2)c1C(=O)[O-] ZINC000738829096 600234413 /nfs/dbraw/zinc/23/44/13/600234413.db2.gz JYIRQGUAXKPCDK-UHFFFAOYSA-N -2 0 398.400 2.881 20 30 GFEDRL Cn1cc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C#N)cc3)nc2)cc1C(=O)[O-] ZINC000833055548 600812311 /nfs/dbraw/zinc/81/23/11/600812311.db2.gz VSQBDWZBYSQWRC-UHFFFAOYSA-N -2 0 398.400 2.583 20 30 GFEDRL Cc1nc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)sc1SCC#N ZINC000833003820 601359307 /nfs/dbraw/zinc/35/93/07/601359307.db2.gz YMBYVOSSMAFYCZ-UHFFFAOYSA-N -2 0 387.439 2.705 20 30 GFEDRL N#CCCCOc1cccnc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000833065478 601360420 /nfs/dbraw/zinc/36/04/20/601360420.db2.gz FUIPTTUAVKQFBP-YFHOEESVSA-N -2 0 387.417 2.663 20 30 GFEDRL C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000825966631 601840744 /nfs/dbraw/zinc/84/07/44/601840744.db2.gz IMNGKVLIPTWJNJ-SECBINFHSA-N -2 0 383.476 2.894 20 30 GFEDRL Cc1nc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])sc1SCC#N ZINC000833002923 601847701 /nfs/dbraw/zinc/84/77/01/601847701.db2.gz ITUCTUBGXAPVHJ-UHFFFAOYSA-N -2 0 387.439 2.705 20 30 GFEDRL Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(F)c(NC(=O)[O-])c2)n1 ZINC000740206649 602549434 /nfs/dbraw/zinc/54/94/34/602549434.db2.gz WBLRWHVEGADCRE-SNVBAGLBSA-N -2 0 377.353 2.714 20 30 GFEDRL C#CCOc1ccccc1[N-]S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000775296164 656625730 /nfs/dbraw/zinc/62/57/30/656625730.db2.gz TXPVTQGDOFOIMY-UHFFFAOYSA-N -2 0 383.784 2.990 20 30 GFEDRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000475817221 564322335 /nfs/dbraw/zinc/32/23/35/564322335.db2.gz HXYOTFOBVIWCIT-UHFFFAOYSA-N -2 0 380.809 2.914 20 30 GFEDRL N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(OCCC(=O)[O-])cc1 ZINC000560417443 564961053 /nfs/dbraw/zinc/96/10/53/564961053.db2.gz UOCGAAWRIWOJTE-UHFFFAOYSA-N -2 0 380.809 2.866 20 30 GFEDRL N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000504658700 565042955 /nfs/dbraw/zinc/04/29/55/565042955.db2.gz ZDJYMXOWXVOMHI-UHFFFAOYSA-N -2 0 380.809 2.866 20 30 GFEDRL N#Cc1ccc(-c2csc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)n2)cc1 ZINC000739101223 599802267 /nfs/dbraw/zinc/80/22/67/599802267.db2.gz DOHUHZOJPIXXOI-UHFFFAOYSA-N -2 0 375.387 2.774 20 30 GFEDRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C#N)ccc1OC(F)F ZINC000477429770 599908390 /nfs/dbraw/zinc/90/83/90/599908390.db2.gz DGRZOUQCHUVNLH-UHFFFAOYSA-N -2 0 382.344 2.967 20 30 GFEDRL C[C@@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000825449514 603403143 /nfs/dbraw/zinc/40/31/43/603403143.db2.gz SGOAEDVNDBQGDO-SNVBAGLBSA-N -2 0 390.377 2.596 20 30 GFEDRL C=CCOc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833379006 605118082 /nfs/dbraw/zinc/11/80/82/605118082.db2.gz TYOIURRZIZDRGK-UHFFFAOYSA-N -2 0 395.820 2.722 20 30 GFEDRL CCCN(C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)C1CCN(C(=O)[O-])CC1 ZINC000826862432 605824782 /nfs/dbraw/zinc/82/47/82/605824782.db2.gz HYIRKXWCKVCMFJ-UHFFFAOYSA-N -2 0 388.468 2.589 20 30 GFEDRL N#Cc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)c1 ZINC000751215231 655823084 /nfs/dbraw/zinc/82/30/84/655823084.db2.gz JAXLIIVQZXNNGY-UHFFFAOYSA-N -2 0 397.206 2.525 20 30 GFEDRL C=CCC[C@@H](NS(=O)(=O)c1cc(Br)ccc1OCC)C(=O)[O-] ZINC000315729537 563440656 /nfs/dbraw/zinc/44/06/56/563440656.db2.gz DYGBHDVTFFYBHO-LLVKDONJSA-N -2 0 392.271 2.546 20 30 GFEDRL N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000471138275 564187284 /nfs/dbraw/zinc/18/72/84/564187284.db2.gz WWYVYXRUISMJEJ-UHFFFAOYSA-N -2 0 381.753 2.619 20 30 GFEDRL Cc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000547937263 564523404 /nfs/dbraw/zinc/52/34/04/564523404.db2.gz ZUKZUMULBMPNQU-UHFFFAOYSA-N -2 0 396.222 2.523 20 30 GFEDRL C=CCn1c(=O)c2ccc(C(=O)Nc3cccc(CC(=O)[O-])c3)cc2[n-]c1=S ZINC000737536686 602076709 /nfs/dbraw/zinc/07/67/09/602076709.db2.gz HGHBCBOFHUYTMG-UHFFFAOYSA-N -2 0 395.440 2.751 20 30 GFEDRL N#CC(=C([O-])c1cn(C2CCN(C(=O)[O-])CC2)nn1)c1nc2ccccc2s1 ZINC000740303530 602213072 /nfs/dbraw/zinc/21/30/72/602213072.db2.gz KGZXDPRLLSVXFP-GFCCVEGCSA-N -2 0 396.432 2.693 20 30 GFEDRL COc1ccc(CCNC(=O)C(C#N)=C([O-])c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000739898513 602565802 /nfs/dbraw/zinc/56/58/02/602565802.db2.gz SZSIFTUBNDKXSF-OAHLLOKOSA-N -2 0 399.378 2.606 20 30 GFEDRL C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000833402395 605598012 /nfs/dbraw/zinc/59/80/12/605598012.db2.gz LHNBISAJJIUFGB-ZDUSSCGKSA-N -2 0 386.429 2.894 20 30 GFEDRL Cc1ncc(S(=O)(=O)[N-]c2ccc(S[C@@H](C)C(=O)[O-])cc2)cc1C#N ZINC000427303402 563465052 /nfs/dbraw/zinc/46/50/52/563465052.db2.gz ZVDIGXQQTHAJIR-NSHDSACASA-N -2 0 377.447 2.628 20 30 GFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000541799273 564288705 /nfs/dbraw/zinc/28/87/05/564288705.db2.gz UIAFKVQXCSAKHF-UHFFFAOYSA-N -2 0 381.753 2.619 20 30 GFEDRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2C#N)c1C ZINC000531400711 601485545 /nfs/dbraw/zinc/48/55/45/601485545.db2.gz AZRDHLYNKQKTOJ-UHFFFAOYSA-N -2 0 376.438 2.626 20 30 GFEDRL CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])n1 ZINC000826528300 601485779 /nfs/dbraw/zinc/48/57/79/601485779.db2.gz USOYOBWMHKCZIM-UHFFFAOYSA-N -2 0 382.829 2.662 20 30 GFEDRL CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000829809180 602308358 /nfs/dbraw/zinc/30/83/58/602308358.db2.gz RXXFVNRNPNIULY-UHFFFAOYSA-N -2 0 381.435 2.559 20 30 GFEDRL COC(=O)c1c(C)c(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccc(C#N)c1C ZINC000831236496 604399447 /nfs/dbraw/zinc/39/94/47/604399447.db2.gz TXEOLMREZJQXID-UHFFFAOYSA-N -2 0 394.430 2.522 20 30 GFEDRL O=c1c2ccccc2[n-]c(=S)n1N=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000725859208 655528051 /nfs/dbraw/zinc/52/80/51/655528051.db2.gz QFSBZVYPDKSBJP-UHFFFAOYSA-N -2 0 376.781 2.835 20 30 GFEDRL C=CCC[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000776589054 656763639 /nfs/dbraw/zinc/76/36/39/656763639.db2.gz TVEDWLJBGXQBJR-SECBINFHSA-N -2 0 383.209 2.599 20 30 GFEDRL N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)c1 ZINC000436993348 563687913 /nfs/dbraw/zinc/68/79/13/563687913.db2.gz BFRZDCCNOJGXNU-UHFFFAOYSA-N -2 0 397.206 2.525 20 30 GFEDRL Cc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000489390534 564738100 /nfs/dbraw/zinc/73/81/00/564738100.db2.gz UREIMPZLLAFGDK-UHFFFAOYSA-N -2 0 385.195 2.721 20 30 GFEDRL N#Cc1ccc(C(=O)Nc2cc(I)ccc2O)cc1[O-] ZINC000615484674 565162169 /nfs/dbraw/zinc/16/21/69/565162169.db2.gz SPIRJTQJNNZXRQ-UHFFFAOYSA-N -2 0 380.141 2.826 20 30 GFEDRL CC1=C(C(=O)[O-])[C@@H](c2ccc(C#N)cc2)NC(=O)N1Cc1ccc(C(=O)[O-])cc1 ZINC000736744521 599992661 /nfs/dbraw/zinc/99/26/61/599992661.db2.gz CCOHFEBAMINXJC-GOSISDBHSA-N -2 0 391.383 2.882 20 30 GFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000739129817 600784684 /nfs/dbraw/zinc/78/46/84/600784684.db2.gz FULXEPJKRMFEGZ-UHFFFAOYSA-N -2 0 381.753 2.619 20 30 GFEDRL CCC(C)(C)CC(=O)OCCc1c(C(=O)[O-])[n-]n(-c2ccc(C#N)cc2)c1=O ZINC000828609808 600801318 /nfs/dbraw/zinc/80/13/18/600801318.db2.gz ZVYBKKCECRJENV-UHFFFAOYSA-N -2 0 385.420 2.647 20 30 GFEDRL CC1=C(C(=O)[O-])[C@@H](c2cc(C#N)cs2)NC(=O)N1c1ccc(C(=O)[O-])cc1 ZINC000828135661 601375116 /nfs/dbraw/zinc/37/51/16/601375116.db2.gz PUUYNRNCGCAVMM-OAHLLOKOSA-N -2 0 383.385 2.947 20 30 GFEDRL Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(F)c(NC(=O)[O-])c2)n1 ZINC000740206647 602549448 /nfs/dbraw/zinc/54/94/48/602549448.db2.gz WBLRWHVEGADCRE-JTQLQIEISA-N -2 0 377.353 2.714 20 30 GFEDRL N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1csc(CNC(=O)[O-])n1 ZINC000740303828 602728184 /nfs/dbraw/zinc/72/81/84/602728184.db2.gz MSEJDGBJXMJLBW-MRVPVSSYSA-N -2 0 378.797 2.525 20 30 GFEDRL N#Cc1ccccc1CS(=O)(=O)[N-]C(=O)c1ccc(NC(=O)[O-])cc1Cl ZINC000740324519 602958334 /nfs/dbraw/zinc/95/83/34/602958334.db2.gz YUYXLYDSSNZOGX-UHFFFAOYSA-N -2 0 393.808 2.561 20 30 GFEDRL Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000829828314 604214322 /nfs/dbraw/zinc/21/43/22/604214322.db2.gz PBJLUDHZLAHOSJ-DZGCQCFKSA-N -2 0 383.404 2.527 20 30 GFEDRL CC1(C)CC[C@H](C(=O)OCCc2c(C(=O)[O-])[n-]n(-c3ccc(C#N)cc3)c2=O)C1 ZINC000833556827 605086405 /nfs/dbraw/zinc/08/64/05/605086405.db2.gz IVRHHDHVOAYBPY-AWEZNQCLSA-N -2 0 397.431 2.647 20 30 GFEDRL CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=C([O-])c1cccc(C(=O)[O-])c1 ZINC000820369269 598148670 /nfs/dbraw/zinc/14/86/70/598148670.db2.gz YDKWHOBVCYLIAD-CQSZACIVSA-N -2 0 382.372 2.712 20 30 GFEDRL Cc1[nH]nc(S(=O)(=O)[N-]c2cccc(C#Cc3cccs3)c2)c1C(=O)[O-] ZINC000738827718 600231004 /nfs/dbraw/zinc/23/10/04/600231004.db2.gz OEQFEZPZBKTQRO-UHFFFAOYSA-N -2 0 387.442 2.678 20 30 GFEDRL CN(Cc1ccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1)C(=O)[O-] ZINC000830841230 601862793 /nfs/dbraw/zinc/86/27/93/601862793.db2.gz YIYLXRHGCFIRBF-UHFFFAOYSA-N -2 0 381.360 2.747 20 30 GFEDRL Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2CCCCCC[C@H]2NC(=O)[O-])n1 ZINC000830655445 603933255 /nfs/dbraw/zinc/93/32/55/603933255.db2.gz QYFDZDSRTYNLEE-BFHYXJOUSA-N -2 0 393.465 2.778 20 30 GFEDRL Cc1csc(C(C#N)=C([O-])COC(=O)[C@H]2CCCCCC[C@@H]2NC(=O)[O-])n1 ZINC000830655448 603933304 /nfs/dbraw/zinc/93/33/04/603933304.db2.gz QYFDZDSRTYNLEE-MJBXVCDLSA-N -2 0 393.465 2.778 20 30 GFEDRL C=CCOc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2OC)c1 ZINC000552650166 604860212 /nfs/dbraw/zinc/86/02/12/604860212.db2.gz JMTSYRXHBGPPOR-UHFFFAOYSA-N -2 0 393.417 2.768 20 30 GFEDRL CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])n1 ZINC000833452678 605167770 /nfs/dbraw/zinc/16/77/70/605167770.db2.gz FOSKBBVAHFCICM-UHFFFAOYSA-N -2 0 382.829 2.662 20 30 GFEDRL N#Cc1ccc([O-])c(NC(=O)C2(Nc3ccccc3)CCN(C(=O)[O-])CC2)c1 ZINC000833978093 605539219 /nfs/dbraw/zinc/53/92/19/605539219.db2.gz ZYGHNNYPRBBOQL-UHFFFAOYSA-N -2 0 380.404 2.827 20 30 GFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C(=O)[O-])cc1Cl ZINC000548548978 564558663 /nfs/dbraw/zinc/55/86/63/564558663.db2.gz OERCCWZKNDUBAU-UHFFFAOYSA-N -2 0 381.753 2.619 20 30 GFEDRL CC(C)(C)[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000548591107 564564397 /nfs/dbraw/zinc/56/43/97/564564397.db2.gz DBICRAYBUBFALU-GFCCVEGCSA-N -2 0 378.372 2.745 20 30 GFEDRL Cc1nc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])sc1SCC#N ZINC000738864811 600056196 /nfs/dbraw/zinc/05/61/96/600056196.db2.gz FVEKJKYQDDOAAR-UHFFFAOYSA-N -2 0 387.464 2.776 20 30 GFEDRL Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1OC(F)F ZINC000738501628 600492970 /nfs/dbraw/zinc/49/29/70/600492970.db2.gz WRGPJKRWKDYUJA-UHFFFAOYSA-N -2 0 382.344 2.967 20 30 GFEDRL C#Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)c1 ZINC000097150742 600673214 /nfs/dbraw/zinc/67/32/14/600673214.db2.gz WDFPBPYRKQXHMY-UHFFFAOYSA-N -2 0 380.219 2.929 20 30 GFEDRL CCOC(=O)c1cccnc1SC=C([O-])C(C(=O)[O-])c1nc2ccccc2[nH]1 ZINC000829885467 600842156 /nfs/dbraw/zinc/84/21/56/600842156.db2.gz NJRUMQIOMHCYNW-UHFFFAOYSA-N -2 0 399.428 2.753 20 30 GFEDRL C[C@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000825449513 603402957 /nfs/dbraw/zinc/40/29/57/603402957.db2.gz SGOAEDVNDBQGDO-JTQLQIEISA-N -2 0 390.377 2.596 20 30 GFEDRL C=CCOc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000833377566 605118166 /nfs/dbraw/zinc/11/81/66/605118166.db2.gz BYIYBOZBKBBJNZ-UHFFFAOYSA-N -2 0 395.820 2.722 20 30 GFEDRL C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC000833366376 605166551 /nfs/dbraw/zinc/16/65/51/605166551.db2.gz ULWQGIFGPQDBBL-UHFFFAOYSA-N -2 0 383.784 2.990 20 30 GFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2C(=O)[O-])c(F)c1 ZINC000548198614 564535696 /nfs/dbraw/zinc/53/56/96/564535696.db2.gz USAARTPCPNAWGV-UHFFFAOYSA-N -2 0 399.197 2.959 20 30 GFEDRL N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(Cl)c2)c(F)c1 ZINC000548560073 564560344 /nfs/dbraw/zinc/56/03/44/564560344.db2.gz YSYZTMZGYQIFBU-CYBMUJFWSA-N -2 0 386.763 2.594 20 30 GFEDRL Cn1cc(S(=O)(=O)[N-]c2cccc(C#Cc3cccs3)c2)cc1C(=O)[O-] ZINC000833055497 600810121 /nfs/dbraw/zinc/81/01/21/600810121.db2.gz ICLQFQOWGQTJCI-UHFFFAOYSA-N -2 0 386.454 2.985 20 30 GFEDRL Cc1nc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)sc1C(=O)[O-] ZINC000833003299 601339496 /nfs/dbraw/zinc/33/94/96/601339496.db2.gz RVECYEMQXLGLLZ-UHFFFAOYSA-N -2 0 391.352 2.841 20 30 GFEDRL N#CC(=C([O-])c1cn(C2CCN(C(=O)[O-])CC2)nn1)c1nc2ccccc2s1 ZINC000740303532 602213256 /nfs/dbraw/zinc/21/32/56/602213256.db2.gz KGZXDPRLLSVXFP-LBPRGKRZSA-N -2 0 396.432 2.693 20 30 GFEDRL CSc1[n-]c(=O)c(C(=O)Nc2ccc3c(c2)CN(C(=O)[O-])CC3)cc1C#N ZINC000740023349 602595772 /nfs/dbraw/zinc/59/57/72/602595772.db2.gz WUQSGLBYYWLELY-UHFFFAOYSA-N -2 0 384.417 2.669 20 30 GFEDRL N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(=O)[O-])c(F)c1 ZINC000831114543 603838593 /nfs/dbraw/zinc/83/85/93/603838593.db2.gz OPKWBKCBFZEUSX-UHFFFAOYSA-N -2 0 379.344 2.678 20 30 GFEDRL COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc(C)c(NC(=O)[O-])c2)cc1 ZINC000829371532 604223690 /nfs/dbraw/zinc/22/36/90/604223690.db2.gz JBSVYFMWMZUMSA-MRXNPFEDSA-N -2 0 381.388 2.732 20 30 GFEDRL Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000829828266 605345710 /nfs/dbraw/zinc/34/57/10/605345710.db2.gz OIHBJIAHTDECHT-GXTWGEPZSA-N -2 0 385.445 2.853 20 30 GFEDRL N#CC1(CS(=O)(=O)[N-]C(=O)c2ccc(NC(=O)[O-])cc2Cl)CCCC1 ZINC000833964856 605667872 /nfs/dbraw/zinc/66/78/72/605667872.db2.gz RMKURKLKBGZLBF-UHFFFAOYSA-N -2 0 385.829 2.573 20 30 GFEDRL O=C([O-])c1cc(N=NC2CCC[C@@H]2[C@@H]2COCCN2C(=O)[O-])ccc1Cl ZINC000834283896 605739985 /nfs/dbraw/zinc/73/99/85/605739985.db2.gz XLZLZNXUYJVGLV-NHYWBVRUSA-N -2 0 381.816 2.985 20 30 GFEDRL COc1cc(C=Nn2c(C(F)(F)F)n[n-]c2=S)cc(Br)c1O ZINC000254716375 655435710 /nfs/dbraw/zinc/43/57/10/655435710.db2.gz QGCJOGZZTICXPQ-UHFFFAOYSA-N -2 0 397.176 2.945 20 30 GFEDRL CC(=O)C1=C(C(=O)[O-])N(CCCCCC(=O)[O-])C(=O)N[C@@H]1c1ccc(C)s1 ZINC000736124418 599987380 /nfs/dbraw/zinc/98/73/80/599987380.db2.gz CDNJMFAKEQNMNF-OAHLLOKOSA-N -2 0 394.449 2.696 20 30 GFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCCC2)c(F)c1 ZINC000739130596 600660018 /nfs/dbraw/zinc/66/00/18/600660018.db2.gz VDJDUPYTMACPMU-UHFFFAOYSA-N -2 0 389.408 2.797 20 30 GFEDRL N#CCCCOc1cccnc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000833065474 601360379 /nfs/dbraw/zinc/36/03/79/601360379.db2.gz FUIPTTUAVKQFBP-JXMROGBWSA-N -2 0 387.417 2.663 20 30 GFEDRL C[C@@H]1CC/C(=C/C(=O)OCCc2c(C(=O)[O-])[n-]n(-c3ccc(C#N)cc3)c2=O)C1 ZINC000828206839 601546399 /nfs/dbraw/zinc/54/63/99/601546399.db2.gz FDIBEFFRNIEWGE-LKKYZFDUSA-N -2 0 395.415 2.568 20 30 GFEDRL CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000762615820 601602404 /nfs/dbraw/zinc/60/24/04/601602404.db2.gz MMCZNCFRPMXEQB-UHFFFAOYSA-N -2 0 379.825 2.777 20 30 GFEDRL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cc1C#N ZINC000827058603 605009625 /nfs/dbraw/zinc/00/96/25/605009625.db2.gz MOTGOBRBTOLSOG-UHFFFAOYSA-N -2 0 395.824 2.893 20 30 GFEDRL C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC000833367140 605166677 /nfs/dbraw/zinc/16/66/77/605166677.db2.gz PXHTTWLIBBRNTK-UHFFFAOYSA-N -2 0 383.784 2.990 20 30 GFEDRL C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000779844453 605597448 /nfs/dbraw/zinc/59/74/48/605597448.db2.gz JZGSIOAIQNQIBR-SECBINFHSA-N -2 0 382.344 2.755 20 30 GFEDRL O=C([N-]C[C@@H]([N-]C(=O)C(F)(F)C(F)F)C1CCCC1)C(F)(F)C(F)F ZINC000768300155 656236772 /nfs/dbraw/zinc/23/67/72/656236772.db2.gz CCVJKGIMJKKGFT-SSDOTTSWSA-N -2 0 384.267 2.578 20 30 GFEDRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427198904 563461917 /nfs/dbraw/zinc/46/19/17/563461917.db2.gz IVUQKBOJQASKHZ-UHFFFAOYSA-N -2 0 384.772 2.858 20 30 GFEDRL Cc1nc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])sc1SCC#N ZINC000738864914 600056153 /nfs/dbraw/zinc/05/61/53/600056153.db2.gz LUXJCZHZZBFPQL-UHFFFAOYSA-N -2 0 387.439 2.705 20 30 GFEDRL Cc1nc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)sc1SCC#N ZINC000833003876 601359459 /nfs/dbraw/zinc/35/94/59/601359459.db2.gz ZLLWHQIEBLHWAA-QPJJXVBHSA-N -2 0 395.487 2.966 20 30 GFEDRL CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC(C)c2ccc([O-])c([N+](=O)[O-])c2)o1 ZINC000823963258 607530257 /nfs/dbraw/zinc/53/02/57/607530257.db2.gz ZUFODLOQUNRQBS-UHFFFAOYSA-N -2 0 386.372 2.503 20 30 GFEDRL Cc1c(C([O-])=C(C#N)c2nc3ccccc3o2)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740029974 602212589 /nfs/dbraw/zinc/21/25/89/602212589.db2.gz GNYXQGRKHHPEEC-ZDUSSCGKSA-N -2 0 394.391 2.533 20 30 GFEDRL COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000739906243 602565797 /nfs/dbraw/zinc/56/57/97/602565797.db2.gz LYMOUYPIUUZMQO-AWEZNQCLSA-N -2 0 385.351 2.563 20 30 GFEDRL Cc1cnn(-c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000833754368 605190986 /nfs/dbraw/zinc/19/09/86/605190986.db2.gz NEQDAGSFOZWHJQ-UHFFFAOYSA-N -2 0 382.401 2.551 20 30 GFEDRL COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000766063123 656159294 /nfs/dbraw/zinc/15/92/94/656159294.db2.gz LZISSDATSAOTMG-UHFFFAOYSA-N -2 0 384.772 2.858 20 30 GFEDRL CC(C)(C#N)CCS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(F)(F)F ZINC000569698398 564475145 /nfs/dbraw/zinc/47/51/45/564475145.db2.gz PXFBTVZMYYVBCV-UHFFFAOYSA-N -2 0 380.344 2.965 20 30 GFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)c(C(F)(F)F)c1 ZINC000436993538 600391783 /nfs/dbraw/zinc/39/17/83/600391783.db2.gz DDHBKGSNYJWBEN-UHFFFAOYSA-N -2 0 386.307 2.782 20 30 GFEDRL Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1OC(F)F ZINC000738320326 600693528 /nfs/dbraw/zinc/69/35/28/600693528.db2.gz RMXSEHVSBODKIY-UHFFFAOYSA-N -2 0 382.344 2.967 20 30 GFEDRL C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000825631888 601332937 /nfs/dbraw/zinc/33/29/37/601332937.db2.gz NQLFXFUVYJZKFN-BJMVGYQFSA-N -2 0 375.377 2.736 20 30 GFEDRL CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)n1 ZINC000268029674 601382299 /nfs/dbraw/zinc/38/22/99/601382299.db2.gz YSUJRVDGMCCGBB-UHFFFAOYSA-N -2 0 382.829 2.662 20 30 GFEDRL CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000827038779 601859205 /nfs/dbraw/zinc/85/92/05/601859205.db2.gz SQIQUYBYTKVVHA-UHFFFAOYSA-N -2 0 378.381 2.984 20 30 GFEDRL CSc1[n-]c(=O)c(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)cc1C#N ZINC000832771061 604941909 /nfs/dbraw/zinc/94/19/09/604941909.db2.gz XTMYQZTUWMGOBB-UHFFFAOYSA-N -2 0 393.808 2.750 20 30 GFEDRL Cc1csc(C(C#N)=C([O-])COC(=O)C[C@H](C)C2CCN(C(=O)[O-])CC2)n1 ZINC000830655203 605235292 /nfs/dbraw/zinc/23/52/92/605235292.db2.gz KQIFRVWYBHVRIZ-SMDDNHRTSA-N -2 0 393.465 2.587 20 30 GFEDRL O=C([O-])C(F)(F)Oc1ccc(C=Nn2c(C(F)(F)F)n[n-]c2=S)cc1 ZINC000730726717 655577519 /nfs/dbraw/zinc/57/75/19/655577519.db2.gz CNYGCDLZBGDJOP-UHFFFAOYSA-N -2 0 382.270 2.524 20 30 GFEDRL N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c1 ZINC000153977870 551464350 /nfs/dbraw/zinc/46/43/50/551464350.db2.gz ZHWVZWBBJROIGO-UHFFFAOYSA-N -2 0 399.197 2.959 20 30 GFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C(=O)[O-])c2)s1 ZINC000230326312 553064757 /nfs/dbraw/zinc/06/47/57/553064757.db2.gz SOTAQLDFJSPAPU-UHFFFAOYSA-N -2 0 387.236 2.881 20 30 GFEDRL N#Cc1ccc(-n2[n-]c(C(=O)[O-])c(CCOC(=O)C3CCCCCC3)c2=O)cc1 ZINC000739101211 599799106 /nfs/dbraw/zinc/79/91/06/599799106.db2.gz DIWZVLNETCGVIZ-UHFFFAOYSA-N -2 0 397.431 2.792 20 30 GFEDRL Cc1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)sc1SCC#N ZINC000738865511 600056232 /nfs/dbraw/zinc/05/62/32/600056232.db2.gz QUQFZXQQTAXRJQ-UHFFFAOYSA-N -2 0 375.478 2.628 20 30 GFEDRL N#Cc1ccc(-n2[n-]c(C(=O)[O-])c(CCOC(=O)CC3=CCCCC3)c2=O)cc1 ZINC000739102390 600122417 /nfs/dbraw/zinc/12/24/17/600122417.db2.gz WKMHOFLZTUBUAR-UHFFFAOYSA-N -2 0 395.415 2.712 20 30 GFEDRL CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000830059551 601202833 /nfs/dbraw/zinc/20/28/33/601202833.db2.gz DYEIVCFPKGAEGK-UHFFFAOYSA-N -2 0 382.419 2.526 20 30 GFEDRL N#CCCCOc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1 ZINC000833066162 601837036 /nfs/dbraw/zinc/83/70/36/601837036.db2.gz XHSZQCFTSOEOHG-UHFFFAOYSA-N -2 0 395.824 2.917 20 30 GFEDRL CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000830060092 601838019 /nfs/dbraw/zinc/83/80/19/601838019.db2.gz ZIZGZQOMOGTSMO-UHFFFAOYSA-N -2 0 381.797 2.504 20 30 GFEDRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)cc2OCC#N)c1C ZINC000760361354 602118983 /nfs/dbraw/zinc/11/89/83/602118983.db2.gz UBBCJDFYDGWYEB-UHFFFAOYSA-N -2 0 378.381 2.844 20 30 GFEDRL COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc(C)c(NC(=O)[O-])c2)cc1 ZINC000829371530 604223932 /nfs/dbraw/zinc/22/39/32/604223932.db2.gz JBSVYFMWMZUMSA-INIZCTEOSA-N -2 0 381.388 2.732 20 30 GFEDRL CC[C@@H](NN=Cc1cc(Br)c([O-])c(Br)c1)C(=O)[O-] ZINC000793056584 658352777 /nfs/dbraw/zinc/35/27/77/658352777.db2.gz HEJIQHOTBWVORY-SECBINFHSA-N -2 0 380.036 2.704 20 30 GFEDRL Cc1c(Cl)cc(S(=O)(=O)[N-]c2nn(C(C)C)cc2C#N)cc1C(=O)[O-] ZINC000479276688 564434795 /nfs/dbraw/zinc/43/47/95/564434795.db2.gz YBJBIUGJEFQRMG-UHFFFAOYSA-N -2 0 382.829 2.797 20 30 GFEDRL Cc1c(Br)cc([N-]S(=O)(=O)c2cncc(C#N)c2)cc1C(=O)[O-] ZINC000520673669 564610378 /nfs/dbraw/zinc/61/03/78/564610378.db2.gz LHRYVEWJSWCESU-UHFFFAOYSA-N -2 0 396.222 2.523 20 30 GFEDRL C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC000833376898 605166579 /nfs/dbraw/zinc/16/65/79/605166579.db2.gz VBUSCELCXLLRMW-UHFFFAOYSA-N -2 0 394.836 2.755 20 30 GFEDRL C#Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)c1 ZINC000314006305 655380143 /nfs/dbraw/zinc/38/01/43/655380143.db2.gz FHWKXLKAQUQOHO-UHFFFAOYSA-N -2 0 380.219 2.929 20 30 GFEDRL Cc1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)sc1SCC#N ZINC000738347444 600055950 /nfs/dbraw/zinc/05/59/50/600055950.db2.gz MNSCXMUTXQRUDM-UHFFFAOYSA-N -2 0 383.476 2.875 20 30 GFEDRL N#Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)c1 ZINC000739133772 600613065 /nfs/dbraw/zinc/61/30/65/600613065.db2.gz OJLYOBDRUYCXLR-UHFFFAOYSA-N -2 0 399.197 2.959 20 30 GFEDRL C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000736090276 600900396 /nfs/dbraw/zinc/90/03/96/600900396.db2.gz YOTTXJXDIKTEDR-UHFFFAOYSA-N -2 0 383.784 2.990 20 30 GFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)[O-])CC3)c(F)c1 ZINC000740321277 603010785 /nfs/dbraw/zinc/01/07/85/603010785.db2.gz DUKPNBPQCHMVLP-UHFFFAOYSA-N -2 0 375.381 2.534 20 30 GFEDRL CSc1[n-]c(=O)c(C(=O)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1C#N ZINC000829754968 604583358 /nfs/dbraw/zinc/58/33/58/604583358.db2.gz QSELGELTVKNBMK-SNVBAGLBSA-N -2 0 386.433 2.639 20 30 GFEDRL Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000829828269 605346098 /nfs/dbraw/zinc/34/60/98/605346098.db2.gz OIHBJIAHTDECHT-TZMCWYRMSA-N -2 0 385.445 2.853 20 30 GFEDRL COc1cc(C(=O)[O-])c(F)cc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000514876891 564460847 /nfs/dbraw/zinc/46/08/47/564460847.db2.gz ABBMDFPRQQIMKX-UHFFFAOYSA-N -2 0 384.772 2.858 20 30 GFEDRL CC(=O)C1=C(C(=O)[O-])N(Cc2ccc(C(=O)[O-])cc2)C(=O)N[C@@H]1c1ccccc1 ZINC000736125639 599986452 /nfs/dbraw/zinc/98/64/52/599986452.db2.gz JXALZSFLONNITB-QGZVFWFLSA-N -2 0 394.383 2.579 20 30 GFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2cccc(CSCC(=O)[O-])c2)c(F)c1 ZINC000739133000 600545898 /nfs/dbraw/zinc/54/58/98/600545898.db2.gz XXOPWEUKMBRMSQ-UHFFFAOYSA-N -2 0 380.422 2.816 20 30 GFEDRL N#CCc1ccnc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])c1 ZINC000833068968 601964903 /nfs/dbraw/zinc/96/49/03/601964903.db2.gz IYWAZGFXOQTQPO-UHFFFAOYSA-N -2 0 385.323 2.665 20 30 GFEDRL C=CCS(=O)(=O)[N-]C(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000833378431 604991800 /nfs/dbraw/zinc/99/18/00/604991800.db2.gz NGESYEBOHDDVRB-UHFFFAOYSA-N -2 0 381.431 2.516 20 30 GFEDRL Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1NC(=O)[O-] ZINC000829961719 605418895 /nfs/dbraw/zinc/41/88/95/605418895.db2.gz KKRTZKLARYJWFB-UHFFFAOYSA-N -2 0 393.808 2.729 20 30 GFEDRL O=C([O-])c1cc(N=NC2CCC[C@H]2[C@@H]2COCCN2C(=O)[O-])ccc1Cl ZINC000834283894 605740011 /nfs/dbraw/zinc/74/00/11/605740011.db2.gz XLZLZNXUYJVGLV-ABAIWWIYSA-N -2 0 381.816 2.985 20 30 GFEDRL N#Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(O)c1 ZINC000436792296 563680410 /nfs/dbraw/zinc/68/04/10/563680410.db2.gz NDCDYXXFWNKKST-UHFFFAOYSA-N -2 0 397.206 2.525 20 30 GFEDRL N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000547869851 564514313 /nfs/dbraw/zinc/51/43/13/564514313.db2.gz MIXNBTKOOJGYIX-UHFFFAOYSA-N -2 0 381.753 2.619 20 30 GFEDRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610058708 566062364 /nfs/dbraw/zinc/06/23/64/566062364.db2.gz UXHGIXUEKFQEGT-UHFFFAOYSA-N -2 0 384.772 2.858 20 30 GFEDRL CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=C([O-])c1ccc(C(=O)[O-])cc1 ZINC000820369304 598159977 /nfs/dbraw/zinc/15/99/77/598159977.db2.gz ZSKFBEODNUKPJO-AWEZNQCLSA-N -2 0 382.372 2.712 20 30 GFEDRL Cc1n[nH]cc1S(=O)(=O)[N-]c1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 ZINC000738248983 600230449 /nfs/dbraw/zinc/23/04/49/600230449.db2.gz LTAPLJYDNCZMEL-UHFFFAOYSA-N -2 0 381.413 2.617 20 30 GFEDRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)c1C(=O)[O-] ZINC000738337357 600236566 /nfs/dbraw/zinc/23/65/66/600236566.db2.gz JWJAHWDDCVKRLG-SECBINFHSA-N -2 0 380.451 2.611 20 30 GFEDRL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000531489316 600544304 /nfs/dbraw/zinc/54/43/04/600544304.db2.gz CANFOIDFBYEBOX-UHFFFAOYSA-N -2 0 378.381 2.984 20 30 GFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)F)c(F)c1 ZINC000739129741 600545783 /nfs/dbraw/zinc/54/57/83/600545783.db2.gz BIAWVWCMRDKBSI-UHFFFAOYSA-N -2 0 386.307 2.798 20 30 GFEDRL C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000751142483 601484486 /nfs/dbraw/zinc/48/44/86/601484486.db2.gz LHPRFIVMVJRLPU-UHFFFAOYSA-N -2 0 385.319 2.615 20 30 GFEDRL N#CC(=C([O-])c1cn(C2CCN(C(=O)[O-])CC2)nn1)c1ccc2ccccc2n1 ZINC000740304101 602213133 /nfs/dbraw/zinc/21/31/33/602213133.db2.gz QIGHBVJOUBKYEO-HNNXBMFYSA-N -2 0 390.403 2.631 20 30 GFEDRL Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000829828379 604214176 /nfs/dbraw/zinc/21/41/76/604214176.db2.gz PBJLUDHZLAHOSJ-UKRRQHHQSA-N -2 0 383.404 2.527 20 30 GFEDRL Cc1cc(C)n(N=Cc2cc(Cl)c([O-])cc2Cl)c(=O)c1-c1nnn[n-]1 ZINC000826265263 607965181 /nfs/dbraw/zinc/96/51/81/607965181.db2.gz RXIPIUIFEOQPGF-UHFFFAOYSA-N -2 0 379.207 2.540 20 30 GFEDRL Cc1c(Br)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000548587869 564564798 /nfs/dbraw/zinc/56/47/98/564564798.db2.gz BUHCROXBIDYELH-UHFFFAOYSA-N -2 0 396.222 2.523 20 30 GFEDRL Cc1c(Br)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000555128948 564784619 /nfs/dbraw/zinc/78/46/19/564784619.db2.gz LIOQXCSRPMJYKR-UHFFFAOYSA-N -2 0 396.222 2.523 20 30 GFEDRL Cc1occc1-c1nnc(SCC(=O)[O-])n1N=Cc1cccc(C(=O)[O-])c1 ZINC000814768035 598201361 /nfs/dbraw/zinc/20/13/61/598201361.db2.gz FQKGWAIQFZDSDL-UHFFFAOYSA-N -2 0 386.389 2.604 20 30 GFEDRL N#Cc1ccc(Cc2cnc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)s2)cc1 ZINC000739118195 599802354 /nfs/dbraw/zinc/80/23/54/599802354.db2.gz OWNFANRWPIERCR-UHFFFAOYSA-N -2 0 389.414 2.698 20 30 GFEDRL Cc1nc(S(=O)(=O)[N-]c2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)c[nH]1 ZINC000738887539 600095009 /nfs/dbraw/zinc/09/50/09/600095009.db2.gz CIOPZYGDSTWERX-UHFFFAOYSA-N -2 0 381.413 2.617 20 30 GFEDRL N#CCCn1ccc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])n1 ZINC000739076318 600392841 /nfs/dbraw/zinc/39/28/41/600392841.db2.gz UQLGELPNYKBHSR-UHFFFAOYSA-N -2 0 376.419 2.510 20 30 GFEDRL CC1=C(C(=O)[O-])[C@H](c2ccc(C#N)s2)NC(=O)N1Cc1ccc(C(=O)[O-])cc1 ZINC000828135989 601202521 /nfs/dbraw/zinc/20/25/21/601202521.db2.gz QQBSPSFTCSADOJ-INIZCTEOSA-N -2 0 397.412 2.943 20 30 GFEDRL N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1nc(CCCC(=O)[O-])cs1 ZINC000833069322 601771460 /nfs/dbraw/zinc/77/14/60/601771460.db2.gz RWYSKINZQVXNGW-UHFFFAOYSA-N -2 0 385.854 2.876 20 30 GFEDRL N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000833068300 602119655 /nfs/dbraw/zinc/11/96/55/602119655.db2.gz VOHAHIANYJAJIV-BAQGIRSFSA-N -2 0 376.365 2.627 20 30 GFEDRL CC(C)c1csc(C(C#N)=C([O-])c2cn(C3CCN(C(=O)[O-])CC3)nn2)n1 ZINC000824476881 603440812 /nfs/dbraw/zinc/44/08/12/603440812.db2.gz UNQPWLMDJBYCNL-LBPRGKRZSA-N -2 0 388.453 2.663 20 30 GFEDRL CSc1[n-]c(=O)c(C(=O)NCCN(C(=O)[O-])C2CCCCCC2)cc1C#N ZINC000829755528 604299822 /nfs/dbraw/zinc/29/98/22/604299822.db2.gz YEFZWYCDJQZXFI-UHFFFAOYSA-N -2 0 392.481 2.813 20 30 GFEDRL N#CCCCOc1cccnc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000833760294 604990029 /nfs/dbraw/zinc/99/00/29/604990029.db2.gz MTLYDRSKWLSXRY-UHFFFAOYSA-N -2 0 395.824 2.917 20 30 GFEDRL CC1(C)CC[C@@H](C(=O)OCCc2c(C(=O)[O-])[n-]n(-c3ccc(C#N)cc3)c2=O)C1 ZINC000833556830 605086657 /nfs/dbraw/zinc/08/66/57/605086657.db2.gz IVRHHDHVOAYBPY-CQSZACIVSA-N -2 0 397.431 2.647 20 30 GFEDRL COc1ccc(CNC(=O)C(C#N)=C([O-])c2ccc(NC(=O)[O-])c(C)c2)cc1 ZINC000829372901 605346048 /nfs/dbraw/zinc/34/60/48/605346048.db2.gz YOARLKKNCCCRDS-INIZCTEOSA-N -2 0 381.388 2.732 20 30 GFEDRL N#Cc1ccc([O-])c(NC(=O)c2ccc(I)c([O-])c2)c1 ZINC000760923387 655994715 /nfs/dbraw/zinc/99/47/15/655994715.db2.gz MYKSXYXVSYSING-UHFFFAOYSA-N -2 0 380.141 2.826 20 30 GFEDRL CC(=O)C1=C(C(=O)[O-])N(CCCCCC(=O)[O-])C(=O)N[C@H]1c1ccc(C)cc1 ZINC000736128011 599988531 /nfs/dbraw/zinc/98/85/31/599988531.db2.gz ZJVFKHBWKZGTNX-KRWDZBQOSA-N -2 0 388.420 2.634 20 30 GFEDRL N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1csc(CNC(=O)[O-])n1 ZINC000740303829 602728225 /nfs/dbraw/zinc/72/82/25/602728225.db2.gz MSEJDGBJXMJLBW-QMMMGPOBSA-N -2 0 378.797 2.525 20 30 GFEDRL COc1ccc(-c2nc(SC[C@H]3CCN(C(=O)[O-])C3)[n-]c(=O)c2C#N)cc1 ZINC000739884384 603373456 /nfs/dbraw/zinc/37/34/56/603373456.db2.gz SGTQRZBEXLGAON-NSHDSACASA-N -2 0 386.433 2.821 20 30 GFEDRL Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1NC(=O)[O-] ZINC000830230576 603437722 /nfs/dbraw/zinc/43/77/22/603437722.db2.gz LOTQTXBZROSQKH-UHFFFAOYSA-N -2 0 393.808 2.729 20 30 GFEDRL O=C([O-])c1cc(N=NC2CCC[C@@H]2[C@H]2COCCN2C(=O)[O-])ccc1Cl ZINC000834283897 605739809 /nfs/dbraw/zinc/73/98/09/605739809.db2.gz XLZLZNXUYJVGLV-XHDPSFHLSA-N -2 0 381.816 2.985 20 30 GFEDRL O=C([N-]CC1(C(F)(F)F)CC1)C(F)(F)C(=O)[N-]CC1(C(F)(F)F)CC1 ZINC000865994107 662455700 /nfs/dbraw/zinc/45/57/00/662455700.db2.gz IHLVUHIAZVKTFT-UHFFFAOYSA-N -2 0 382.251 2.539 20 30 GFEDRL CC(C)(C)[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000548591109 564564600 /nfs/dbraw/zinc/56/46/00/564564600.db2.gz DBICRAYBUBFALU-LBPRGKRZSA-N -2 0 378.372 2.745 20 30 GFEDRL O=C([O-])CC[C@@H](C[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(F)(F)F ZINC000663294438 565408850 /nfs/dbraw/zinc/40/88/50/565408850.db2.gz REJQWDFTJQRTGU-YFKPBYRVSA-N -2 0 397.268 2.565 20 30 GFEDRL CC(=O)C1=C(C(=O)[O-])N(Cc2ccc(C(=O)[O-])cc2)C(=O)N[C@H]1c1ccccc1 ZINC000736125638 599986437 /nfs/dbraw/zinc/98/64/37/599986437.db2.gz JXALZSFLONNITB-KRWDZBQOSA-N -2 0 394.383 2.579 20 30 GFEDRL Cc1[nH]nc(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)c1C(=O)[O-] ZINC000738337358 600236474 /nfs/dbraw/zinc/23/64/74/600236474.db2.gz JWJAHWDDCVKRLG-VIFPVBQESA-N -2 0 380.451 2.611 20 30 GFEDRL Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC000738321111 600757171 /nfs/dbraw/zinc/75/71/71/600757171.db2.gz WRFQABCEBMOEHE-UHFFFAOYSA-N -2 0 388.430 2.817 20 30 GFEDRL C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000833402239 605598032 /nfs/dbraw/zinc/59/80/32/605598032.db2.gz GMOWLILZCHNPSC-ZDUSSCGKSA-N -2 0 390.417 2.632 20 30 GFEDRL N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000555109477 564783890 /nfs/dbraw/zinc/78/38/90/564783890.db2.gz STXWOYSXQLUUTB-UHFFFAOYSA-N -2 0 398.220 2.849 20 30 GFEDRL COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1SC ZINC000463513117 564883588 /nfs/dbraw/zinc/88/35/88/564883588.db2.gz NNHGFUWSCUNHJF-UHFFFAOYSA-N -2 0 378.431 2.788 20 30 GFEDRL CC(=O)C1=C(C(=O)[O-])N(CCCCCC(=O)[O-])C(=O)N[C@H]1c1ccc(C)s1 ZINC000736124417 599987283 /nfs/dbraw/zinc/98/72/83/599987283.db2.gz CDNJMFAKEQNMNF-HNNXBMFYSA-N -2 0 394.449 2.696 20 30 GFEDRL CC(=O)C1=C(C(=O)[O-])N(CCCCCC(=O)[O-])C(=O)N[C@@H]1c1ccc(C)cc1 ZINC000736128013 599988651 /nfs/dbraw/zinc/98/86/51/599988651.db2.gz ZJVFKHBWKZGTNX-QGZVFWFLSA-N -2 0 388.420 2.634 20 30 GFEDRL COc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(F)F)cc1C(=O)[O-] ZINC000556477351 600544575 /nfs/dbraw/zinc/54/45/75/600544575.db2.gz MASRZJNMSQTDPI-UHFFFAOYSA-N -2 0 398.343 2.667 20 30 GFEDRL Cn1cc(S(=O)(=O)[N-]c2ccccc2Oc2ncccc2C#N)cc1C(=O)[O-] ZINC000603976309 600810599 /nfs/dbraw/zinc/81/05/99/600810599.db2.gz DTIYKLQFYSOJLB-UHFFFAOYSA-N -2 0 398.400 2.583 20 30 GFEDRL Cc1nc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)sc1SCC#N ZINC000832956671 600828396 /nfs/dbraw/zinc/82/83/96/600828396.db2.gz QCLIFQJQZDJQST-UHFFFAOYSA-N -2 0 383.476 2.875 20 30 GFEDRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C#N)ccc1OC(F)F ZINC000609069306 601329879 /nfs/dbraw/zinc/32/98/79/601329879.db2.gz RBPIDQHFPJBXKX-UHFFFAOYSA-N -2 0 398.343 2.667 20 30 GFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])nc2)cc1C(F)(F)F ZINC000831141023 603590670 /nfs/dbraw/zinc/59/06/70/603590670.db2.gz AULOQBKBIJILFP-UHFFFAOYSA-N -2 0 386.311 2.863 20 30 GFEDRL C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000833366044 605123809 /nfs/dbraw/zinc/12/38/09/605123809.db2.gz CMDLWICZDAWIBI-UHFFFAOYSA-N -2 0 389.404 2.755 20 30 GFEDRL N#Cc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)c(Cl)c2F)c1 ZINC000779838887 656948439 /nfs/dbraw/zinc/94/84/39/656948439.db2.gz IZWFAWFRMGXSFU-UHFFFAOYSA-N -2 0 388.735 2.694 20 30 GFEDRL Cc1nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)sc1SCC#N ZINC000738864878 600056186 /nfs/dbraw/zinc/05/61/86/600056186.db2.gz IXWYIZPCCUVWNG-UHFFFAOYSA-N -2 0 375.478 2.628 20 30 GFEDRL Cc1nc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)sc1SCC#N ZINC000833003666 600977552 /nfs/dbraw/zinc/97/75/52/600977552.db2.gz VJBICJMRPLZDFJ-UHFFFAOYSA-N -2 0 375.478 2.628 20 30 GFEDRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(C#N)ccc1OC(C)C ZINC000831946289 601202970 /nfs/dbraw/zinc/20/29/70/601202970.db2.gz RQRQPFCFZJTKBO-UHFFFAOYSA-N -2 0 396.446 2.915 20 30 GFEDRL C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000013262222 601318669 /nfs/dbraw/zinc/31/86/69/601318669.db2.gz HQZITZDLIKIBNM-FMIVXFBMSA-N -2 0 386.429 2.501 20 30 GFEDRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000177374933 601862200 /nfs/dbraw/zinc/86/22/00/601862200.db2.gz CDBGAGMNQHIZFI-UHFFFAOYSA-N -2 0 380.372 2.999 20 30 GFEDRL CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000762614698 601881251 /nfs/dbraw/zinc/88/12/51/601881251.db2.gz CVEPITYIKGOMQZ-UHFFFAOYSA-N -2 0 379.825 2.777 20 30 GFEDRL C[C@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000825449164 603837269 /nfs/dbraw/zinc/83/72/69/603837269.db2.gz KZGNWNMCJDUWTE-VIFPVBQESA-N -2 0 381.360 2.966 20 30 GFEDRL C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000833402593 605598562 /nfs/dbraw/zinc/59/85/62/605598562.db2.gz QNXCIYZXTQIQEQ-SECBINFHSA-N -2 0 382.344 2.755 20 30 GFEDRL C#CCCc1noc(-c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])n1 ZINC000762002008 656027587 /nfs/dbraw/zinc/02/75/87/656027587.db2.gz WIHUOFMUPFVPTG-UHFFFAOYSA-N -2 0 375.431 2.870 20 30 GFEDRL C=CCC[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000776589055 656763756 /nfs/dbraw/zinc/76/37/56/656763756.db2.gz TVEDWLJBGXQBJR-VIFPVBQESA-N -2 0 383.209 2.599 20 30 GFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)c(F)c1 ZINC000739129814 600546027 /nfs/dbraw/zinc/54/60/27/600546027.db2.gz FTASKHSDIGEODB-UHFFFAOYSA-N -2 0 378.381 2.742 20 30 GFEDRL Cc1cc(C(=O)[O-])c2sc([N-]S(=O)(=O)c3ccc(C#N)cc3C)nc2n1 ZINC000738345106 600757211 /nfs/dbraw/zinc/75/72/11/600757211.db2.gz CUJCZXBOBULYFD-UHFFFAOYSA-N -2 0 388.430 2.679 20 30 GFEDRL C[C@@H]1CCC[C@@H](C(=O)OCCc2c(C(=O)[O-])[n-]n(-c3ccc(C#N)cc3)c2=O)C1 ZINC000828232551 600943582 /nfs/dbraw/zinc/94/35/82/600943582.db2.gz HJGNQXDRQYVGFY-UKRRQHHQSA-N -2 0 397.431 2.647 20 30 GFEDRL N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1csnc1C(=O)[O-] ZINC000833069048 602201876 /nfs/dbraw/zinc/20/18/76/602201876.db2.gz SMNOPACASLVTHV-UHFFFAOYSA-N -2 0 377.325 2.533 20 30 GFEDRL C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(NC(=O)[O-])nc3)cc2[n-]c1=S ZINC000738503056 602473577 /nfs/dbraw/zinc/47/35/77/602473577.db2.gz LZPDXIFIKHINKW-UHFFFAOYSA-N -2 0 397.416 2.608 20 30 GFEDRL Cc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000519616298 564584192 /nfs/dbraw/zinc/58/41/92/564584192.db2.gz SISAMOADAQVXQJ-UHFFFAOYSA-N -2 0 396.222 2.523 20 30 GFEDRL N#Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1Cl ZINC000484546322 564590259 /nfs/dbraw/zinc/59/02/59/564590259.db2.gz OJKFANPKIFPYIS-UHFFFAOYSA-N -2 0 381.753 2.619 20 30 GFEDRL Cc1cc(C(=O)[O-])c2sc([N-]S(=O)(=O)c3ccc(C#N)cc3F)nc2n1 ZINC000738346415 600659390 /nfs/dbraw/zinc/65/93/90/600659390.db2.gz UNPZMMBCDIRYLE-UHFFFAOYSA-N -2 0 392.393 2.510 20 30 GFEDRL C[C@@H]1CC/C(=C\C(=O)OCCc2c(C(=O)[O-])[n-]n(-c3ccc(C#N)cc3)c2=O)C1 ZINC000828206840 601546309 /nfs/dbraw/zinc/54/63/09/601546309.db2.gz FDIBEFFRNIEWGE-WDGDVPDHSA-N -2 0 395.415 2.568 20 30 GFEDRL C=CCn1c(=O)c2ccc(C(=O)N[C@H](CCCCC)C(=O)[O-])cc2[n-]c1=S ZINC000825711261 601760363 /nfs/dbraw/zinc/76/03/63/601760363.db2.gz WMMRHEZVUFOSLD-CQSZACIVSA-N -2 0 389.477 2.635 20 30 GFEDRL N#Cc1ccc(-c2csc([N-]S(=O)(=O)c3csnc3C(=O)[O-])n2)cc1 ZINC000833070463 601767624 /nfs/dbraw/zinc/76/76/24/601767624.db2.gz HLIGNZLBMZUTMQ-UHFFFAOYSA-N -2 0 392.443 2.637 20 30 GFEDRL Cc1cnn(-c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2cccc(C)c2C#N)c1 ZINC000833754141 605191018 /nfs/dbraw/zinc/19/10/18/605191018.db2.gz JAKBCEQESNNEJG-UHFFFAOYSA-N -2 0 396.428 2.860 20 30 GFEDRL N#Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(Br)c(C(=O)[O-])c1 ZINC000161769401 551598228 /nfs/dbraw/zinc/59/82/28/551598228.db2.gz ZQVGRGHUCAIFFE-UHFFFAOYSA-N -2 0 399.197 2.959 20 30 GFEDRL N#Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)ccc1F ZINC000320319379 563446235 /nfs/dbraw/zinc/44/62/35/563446235.db2.gz WCSCRLCBBUIZCX-UHFFFAOYSA-N -2 0 399.197 2.959 20 30 GFEDRL Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)nc2)c(SCCC(=O)[O-])c1 ZINC000484496045 564589208 /nfs/dbraw/zinc/58/92/08/564589208.db2.gz CXKUVZDCTMQCJC-UHFFFAOYSA-N -2 0 377.447 2.629 20 30 GFEDRL O=C([O-])CC[C@H](C[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F)C(F)(F)F ZINC000663294437 565409248 /nfs/dbraw/zinc/40/92/48/565409248.db2.gz REJQWDFTJQRTGU-RXMQYKEDSA-N -2 0 397.268 2.565 20 30 GFEDRL Cc1cccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(F)F)c1C(=O)[O-] ZINC000738744078 599801693 /nfs/dbraw/zinc/80/16/93/599801693.db2.gz IRGDFQFTQJTUNG-UHFFFAOYSA-N -2 0 382.344 2.967 20 30 GFEDRL C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000264525996 600815205 /nfs/dbraw/zinc/81/52/05/600815205.db2.gz LWEUTTCNOYPRBP-LLVKDONJSA-N -2 0 379.463 2.776 20 30 GFEDRL C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000736090036 600900487 /nfs/dbraw/zinc/90/04/87/600900487.db2.gz SUOZHVKUPICKKC-UHFFFAOYSA-N -2 0 383.784 2.990 20 30 GFEDRL CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000768503138 601881054 /nfs/dbraw/zinc/88/10/54/601881054.db2.gz HLXZROPSLZPESE-UHFFFAOYSA-N -2 0 379.825 2.777 20 30 GFEDRL C[C@H](NC(=O)[O-])c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000825449587 604427169 /nfs/dbraw/zinc/42/71/69/604427169.db2.gz UJGWRCAPVBXUPE-JTQLQIEISA-N -2 0 390.377 2.596 20 30 GFEDRL Cc1cnn(-c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000833754513 605191250 /nfs/dbraw/zinc/19/12/50/605191250.db2.gz SHZVUJRNACSTMG-UHFFFAOYSA-N -2 0 382.401 2.551 20 30 GFEDRL N#CC(=C([O-])c1cnn([C@@H]2CCCN(C(=O)[O-])C2)c1)c1nc2ccccc2o1 ZINC000833960125 605586190 /nfs/dbraw/zinc/58/61/90/605586190.db2.gz GBHXWOXJFLNSNB-KGLIPLIRSA-N -2 0 379.376 2.829 20 30 GFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)c(Cl)c1 ZINC000504688253 565042848 /nfs/dbraw/zinc/04/28/48/565042848.db2.gz XPNXMIHKISUPMR-UHFFFAOYSA-N -2 0 380.809 2.866 20 30 GFEDRL Cc1ccc(S(=O)(=O)[N-]c2ncccc2OCCCC#N)cc1C(=O)[O-] ZINC000832956489 600830483 /nfs/dbraw/zinc/83/04/83/600830483.db2.gz GUPTYHPVOQZINE-UHFFFAOYSA-N -2 0 375.406 2.572 20 30 GFEDRL CC1=C(C(=O)[O-])[C@@H](c2ccc(C#N)s2)NC(=O)N1Cc1ccc(C(=O)[O-])cc1 ZINC000828135991 601202458 /nfs/dbraw/zinc/20/24/58/601202458.db2.gz QQBSPSFTCSADOJ-MRXNPFEDSA-N -2 0 397.412 2.943 20 30 GFEDRL CC1=C(C(=O)[O-])[C@H](c2cc(C#N)cs2)NC(=O)N1c1ccc(C(=O)[O-])cc1 ZINC000828135656 601375369 /nfs/dbraw/zinc/37/53/69/601375369.db2.gz PUUYNRNCGCAVMM-HNNXBMFYSA-N -2 0 383.385 2.947 20 30 GFEDRL CC1=C(C(=O)[O-])[C@H](c2ccc(C#N)cc2F)NC(=O)N1CCCCCC(=O)[O-] ZINC000828136074 604793728 /nfs/dbraw/zinc/79/37/28/604793728.db2.gz RMPLRCSZTNBLJL-KRWDZBQOSA-N -2 0 389.383 2.767 20 30 GFEDRL C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000743263377 604990775 /nfs/dbraw/zinc/99/07/75/604990775.db2.gz CQBKBKNLVQEOIC-UHFFFAOYSA-N -2 0 383.784 2.990 20 30 GFEDRL COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)c(OC)c1C(=O)[O-] ZINC000833734532 605302484 /nfs/dbraw/zinc/30/24/84/605302484.db2.gz LFRGSNFMCJWYHO-UHFFFAOYSA-N -2 0 396.808 2.728 20 30 GFEDRL CC[C@H](C)[C@@H](C)C(=O)OCCc1c(C(=O)[O-])[n-]n(-c2ccc(C#N)cc2)c1=O ZINC000833639301 605679846 /nfs/dbraw/zinc/67/98/46/605679846.db2.gz RVXCSRMFMQCPQU-QWHCGFSZSA-N -2 0 385.420 2.503 20 30 GFEDRL O=C([O-])c1cc(N=NC2CCC[C@H]2[C@H]2COCCN2C(=O)[O-])ccc1Cl ZINC000834283895 605739663 /nfs/dbraw/zinc/73/96/63/605739663.db2.gz XLZLZNXUYJVGLV-IAQYHMDHSA-N -2 0 381.816 2.985 20 30 GFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)(F)F)o1 ZINC000577978711 655470790 /nfs/dbraw/zinc/47/07/90/655470790.db2.gz IBHFHIALFMUGDN-UHFFFAOYSA-N -2 0 376.268 2.549 20 30 GFEDRL N#Cc1ccc([O-])c(NC(=O)c2cc(I)ccc2[O-])c1 ZINC000790822866 658029607 /nfs/dbraw/zinc/02/96/07/658029607.db2.gz WLUPMZSNUFNPCI-UHFFFAOYSA-N -2 0 380.141 2.826 20 30 GFEDRL COc1cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)c(Cl)cc1C(=O)[O-] ZINC000485267508 564611454 /nfs/dbraw/zinc/61/14/54/564611454.db2.gz POHRFSAZUQNTIE-UHFFFAOYSA-N -2 0 384.772 2.858 20 30 GFEDRL N#Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000555530704 564797040 /nfs/dbraw/zinc/79/70/40/564797040.db2.gz SBSPOBBUVTZBPY-UHFFFAOYSA-N -2 0 381.207 2.820 20 30 GFEDRL N#CCC1(CS(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2OC(F)(F)F)CC1 ZINC000581611015 564809657 /nfs/dbraw/zinc/80/96/57/564809657.db2.gz KUIDLIFJPGVYGG-UHFFFAOYSA-N -2 0 378.328 2.719 20 30 GFEDRL N#Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)cn2)cc1 ZINC000739130645 599737844 /nfs/dbraw/zinc/73/78/44/599737844.db2.gz VNWXZAUDWUMDTK-UHFFFAOYSA-N -2 0 385.357 2.838 20 30 GFEDRL N#Cc1ccc(OC(F)F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000739121345 599801827 /nfs/dbraw/zinc/80/18/27/599801827.db2.gz NZNLJIUTGGJRPQ-UHFFFAOYSA-N -2 0 386.307 2.798 20 30 GFEDRL Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC000738503479 600551420 /nfs/dbraw/zinc/55/14/20/600551420.db2.gz PFVXNCGVJOPHRJ-UHFFFAOYSA-N -2 0 388.430 2.817 20 30 GFEDRL N#Cc1cccc(Oc2ccc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)cn2)c1 ZINC000604571220 600675904 /nfs/dbraw/zinc/67/59/04/600675904.db2.gz FVAQUWPUYVXDBI-UHFFFAOYSA-N -2 0 384.373 2.573 20 30 GFEDRL CCC1=C(C(=O)[O-])[C@@H](c2ccc(C#N)o2)NC(=O)N1Cc1ccc(C(=O)[O-])cc1 ZINC000829070052 600783593 /nfs/dbraw/zinc/78/35/93/600783593.db2.gz XIRRIILZXGTYAL-QGZVFWFLSA-N -2 0 395.371 2.865 20 30 GFEDRL C[C@@H](C(=O)OCCc1c(C(=O)[O-])[n-]n(-c2ccc(C#N)cc2)c1=O)C1CCCC1 ZINC000826064514 601141999 /nfs/dbraw/zinc/14/19/99/601141999.db2.gz LOHUZRNRBDDNCZ-CYBMUJFWSA-N -2 0 397.431 2.647 20 30 GFEDRL Cc1nc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)sc1SCC#N ZINC000833003874 601359287 /nfs/dbraw/zinc/35/92/87/601359287.db2.gz ZLLWHQIEBLHWAA-DAXSKMNVSA-N -2 0 395.487 2.966 20 30 GFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CN(C(=O)[O-])CC3)cc1Cl ZINC000740321247 601977153 /nfs/dbraw/zinc/97/71/53/601977153.db2.gz CMKNSOPCYOBSLU-UHFFFAOYSA-N -2 0 398.853 2.505 20 30 GFEDRL N#Cc1cc(S(=O)(=O)[N-]c2nc3c(s2)CN(C(=O)[O-])CC3)ccc1Cl ZINC000740313614 601977325 /nfs/dbraw/zinc/97/73/25/601977325.db2.gz OYAJDFOFUIEXMT-UHFFFAOYSA-N -2 0 398.853 2.505 20 30 GFEDRL Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000829828268 605346179 /nfs/dbraw/zinc/34/61/79/605346179.db2.gz OIHBJIAHTDECHT-OCCSQVGLSA-N -2 0 385.445 2.853 20 30 GFEDRL C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000779844454 605597110 /nfs/dbraw/zinc/59/71/10/605597110.db2.gz JZGSIOAIQNQIBR-VIFPVBQESA-N -2 0 382.344 2.755 20 30 GFEDRL O=C([N-]C[C@@H]1CCC[C@H]([N-]C(=O)C(F)(F)C(F)F)C1)C(F)(F)C(F)F ZINC000749388518 655804024 /nfs/dbraw/zinc/80/40/24/655804024.db2.gz YBVYXNYBTXVGGE-RQJHMYQMSA-N -2 0 384.267 2.578 20 30 GFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1Cl ZINC000485222548 564611038 /nfs/dbraw/zinc/61/10/38/564611038.db2.gz KTCCOXCXICPADK-UHFFFAOYSA-N -2 0 381.753 2.619 20 30 GFEDRL C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000581868941 564820885 /nfs/dbraw/zinc/82/08/85/564820885.db2.gz JDGAVLNFFMYWEN-MRVPVSSYSA-N -2 0 383.209 2.599 20 30 GFEDRL N#Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Br)cc1 ZINC000135327028 599923914 /nfs/dbraw/zinc/92/39/14/599923914.db2.gz LIWPWGPGERGRAN-UHFFFAOYSA-N -2 0 399.197 2.959 20 30 GFEDRL C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000736075742 600899536 /nfs/dbraw/zinc/89/95/36/600899536.db2.gz FRTAFZBERDZZBT-UHFFFAOYSA-N -2 0 383.784 2.990 20 30 GFEDRL CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000762614754 601882257 /nfs/dbraw/zinc/88/22/57/601882257.db2.gz DZRAUSHIMIRDNH-UHFFFAOYSA-N -2 0 397.815 2.916 20 30 GFEDRL CCCC1(C(=O)OCCc2c(C(=O)[O-])[n-]n(-c3ccc(C#N)cc3)c2=O)CCC1 ZINC000829238093 602385423 /nfs/dbraw/zinc/38/54/23/602385423.db2.gz LZWOMFGNUMUBMK-UHFFFAOYSA-N -2 0 397.431 2.792 20 30 GFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)[O-])c(F)c1 ZINC000740321384 603011123 /nfs/dbraw/zinc/01/11/23/603011123.db2.gz JFUVGUAKXANART-UHFFFAOYSA-N -2 0 375.381 2.929 20 30 GFEDRL O=C([O-])N1CCCc2cccc(C=Nn3c(=O)c4ccccc4[n-]c3=S)c21 ZINC000832018779 604828470 /nfs/dbraw/zinc/82/84/70/604828470.db2.gz QQJXVMZTNZRLLY-UHFFFAOYSA-N -2 0 380.429 2.998 20 30 GFEDRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)nn1CCC#N ZINC000271100020 655066597 /nfs/dbraw/zinc/06/65/97/655066597.db2.gz XUIBURPWGXTEAG-UHFFFAOYSA-N -2 0 382.829 2.566 20 30 GFEDRL N#Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Br)c2)c1 ZINC000751214645 655823130 /nfs/dbraw/zinc/82/31/30/655823130.db2.gz ANSRRJLNZCTWDY-UHFFFAOYSA-N -2 0 397.206 2.525 20 30 GFEDRL N#CCCn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)n1 ZINC000755260396 655881734 /nfs/dbraw/zinc/88/17/34/655881734.db2.gz YKJQXEBPAPXSTN-UHFFFAOYSA-N -2 0 389.220 2.603 20 30 GFEDRL COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000767733685 656217685 /nfs/dbraw/zinc/21/76/85/656217685.db2.gz WDOGIFMYSDVBFH-UHFFFAOYSA-N -2 0 384.772 2.858 20 30 GFEDRL Cc1cc([N-]S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])n(CCC#N)n1 ZINC000738462515 600052919 /nfs/dbraw/zinc/05/29/19/600052919.db2.gz PYRQNJXNGVFZNP-UHFFFAOYSA-N -2 0 390.446 2.819 20 30 GFEDRL C/C(=C\C(=O)OCCc1c(C(=O)[O-])[n-]n(-c2ccc(C#N)cc2)c1=O)C(C)(C)C ZINC000825724436 600943103 /nfs/dbraw/zinc/94/31/03/600943103.db2.gz OUSDBAWWVSFUSN-ACCUITESSA-N -2 0 397.431 2.814 20 30 GFEDRL CC1=C(C(=O)[O-])[C@@H](c2ccc(C#N)s2)NC(=O)N1c1ccc(C(=O)[O-])cc1 ZINC000828134475 601201562 /nfs/dbraw/zinc/20/15/62/601201562.db2.gz HELRRSAKRLRHSO-OAHLLOKOSA-N -2 0 383.385 2.947 20 30 GFEDRL C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000751142683 601484774 /nfs/dbraw/zinc/48/47/74/601484774.db2.gz PFHNGGBUSOSRFT-UHFFFAOYSA-N -2 0 385.319 2.615 20 30 GFEDRL CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000751145908 601837571 /nfs/dbraw/zinc/83/75/71/601837571.db2.gz LSXISJXCMMKGBC-UHFFFAOYSA-N -2 0 382.344 2.734 20 30 GFEDRL N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000833067994 602119877 /nfs/dbraw/zinc/11/98/77/602119877.db2.gz MFUDQAAJLUTKFV-UHFFFAOYSA-N -2 0 384.772 2.880 20 30 GFEDRL COc1cc(S(=O)(=O)[N-]c2ccccc2CC#N)c(Cl)cc1C(=O)[O-] ZINC000509379637 564295542 /nfs/dbraw/zinc/29/55/42/564295542.db2.gz REXRIZMVEGQVRY-UHFFFAOYSA-N -2 0 380.809 2.914 20 30 GFEDRL N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)c1 ZINC000484499578 564589402 /nfs/dbraw/zinc/58/94/02/564589402.db2.gz GRQNSFLBFOTPNP-UHFFFAOYSA-N -2 0 397.206 2.525 20 30 GFEDRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ncccc1OCCCC#N ZINC000738276901 600103719 /nfs/dbraw/zinc/10/37/19/600103719.db2.gz KFNGKZBJWOTTCH-UHFFFAOYSA-N -2 0 375.406 2.572 20 30 GFEDRL C=CCn1c(=O)c2ccc(C(=O)N[C@@H](CCCCC)C(=O)[O-])cc2[n-]c1=S ZINC000825711260 601760313 /nfs/dbraw/zinc/76/03/13/601760313.db2.gz WMMRHEZVUFOSLD-AWEZNQCLSA-N -2 0 389.477 2.635 20 30 GFEDRL C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000013262217 601826390 /nfs/dbraw/zinc/82/63/90/601826390.db2.gz VXDORGPIILQZFN-UHFFFAOYSA-N -2 0 394.836 2.755 20 30 GFEDRL N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1csc(CNC(=O)[O-])n1 ZINC000740302864 602728193 /nfs/dbraw/zinc/72/81/93/602728193.db2.gz FBBFSHCSMDHWIR-JTQLQIEISA-N -2 0 378.797 2.525 20 30 GFEDRL Cc1csc(C(C#N)=C([O-])COC(=O)C[C@H](C)[C@H]2CCCN(C(=O)[O-])C2)n1 ZINC000830655425 604540068 /nfs/dbraw/zinc/54/00/68/604540068.db2.gz QMDQRSAEEGAQNX-FPMFFAJLSA-N -2 0 393.465 2.587 20 30 GFEDRL Cc1csc(C(C#N)=C([O-])COC(=O)C[C@@H](C)[C@@H]2CCCN(C(=O)[O-])C2)n1 ZINC000830655428 604540104 /nfs/dbraw/zinc/54/01/04/604540104.db2.gz QMDQRSAEEGAQNX-MRVWCRGKSA-N -2 0 393.465 2.587 20 30 GFEDRL COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)c(OC)c1C(=O)[O-] ZINC000833734545 605486228 /nfs/dbraw/zinc/48/62/28/605486228.db2.gz MBQMSAYEXKXIRB-UHFFFAOYSA-N -2 0 396.808 2.728 20 30 GFEDRL O=C([O-])c1ccc(N=NC2C[C@]3(CCN(C(=O)[O-])C3)Oc3ccccc32)nc1 ZINC000834283433 605626875 /nfs/dbraw/zinc/62/68/75/605626875.db2.gz OXYVZEPFOOHWSR-IBGZPJMESA-N -2 0 382.376 2.501 20 30 GFEDRL N#CCCn1ccc([N-]S(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)n1 ZINC000735460432 655647619 /nfs/dbraw/zinc/64/76/19/655647619.db2.gz VTDJWDNBKNPAJB-UHFFFAOYSA-N -2 0 389.220 2.603 20 30 GFEDRL N#Cc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2F)cc1 ZINC000193041108 552981131 /nfs/dbraw/zinc/98/11/31/552981131.db2.gz HCDRMWPOFXYRHQ-UHFFFAOYSA-N -2 0 399.197 2.959 20 30 GFEDRL Cc1ccc([N-]S(=O)(=O)c2cncc(C#N)c2)c(SCCC(=O)[O-])c1 ZINC000580984620 564782373 /nfs/dbraw/zinc/78/23/73/564782373.db2.gz SYRPQHIDRGONQN-UHFFFAOYSA-N -2 0 377.447 2.629 20 30 GFEDRL Cc1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)sc1SCC#N ZINC000738864903 600056253 /nfs/dbraw/zinc/05/62/53/600056253.db2.gz KKAHGHVOGDKDEW-UHFFFAOYSA-N -2 0 387.439 2.705 20 30 GFEDRL CCn1cc(S(=O)(=O)[N-]c2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)cn1 ZINC000737303182 600093968 /nfs/dbraw/zinc/09/39/68/600093968.db2.gz RMCKXWCDADZTMN-UHFFFAOYSA-N -2 0 395.440 2.802 20 30 GFEDRL N#Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)cc1 ZINC000739120792 600613083 /nfs/dbraw/zinc/61/30/83/600613083.db2.gz DUUUZHPXSJNHCZ-UHFFFAOYSA-N -2 0 399.197 2.959 20 30 GFEDRL N#Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)cn2)cc1 ZINC000604571335 600675815 /nfs/dbraw/zinc/67/58/15/600675815.db2.gz RSFNYRDWKYCSPF-UHFFFAOYSA-N -2 0 384.373 2.573 20 30 GFEDRL CC1=C(C(=O)[O-])[C@@H](c2cc(C#N)cs2)NC(=O)N1Cc1ccc(C(=O)[O-])cc1 ZINC000828136576 601376425 /nfs/dbraw/zinc/37/64/25/601376425.db2.gz WLJNVNGJIJWSDA-MRXNPFEDSA-N -2 0 397.412 2.943 20 30 GFEDRL CC(C)c1csc(C(C#N)=C([O-])c2cn(C3CCN(C(=O)[O-])CC3)nn2)n1 ZINC000824476880 603440808 /nfs/dbraw/zinc/44/08/08/603440808.db2.gz UNQPWLMDJBYCNL-GFCCVEGCSA-N -2 0 388.453 2.663 20 30 GFEDRL CC1=C(C(=O)[O-])[C@@H](c2ccc(C#N)cc2F)NC(=O)N1CCCCCC(=O)[O-] ZINC000828136090 604793850 /nfs/dbraw/zinc/79/38/50/604793850.db2.gz RMPLRCSZTNBLJL-QGZVFWFLSA-N -2 0 389.383 2.767 20 30 GFEDRL CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1C#N ZINC000771906283 605009685 /nfs/dbraw/zinc/00/96/85/605009685.db2.gz WFOMYTQSNRHIIX-UHFFFAOYSA-N -2 0 378.381 2.984 20 30 GFEDRL O=C([N-]C[C@H]1CCC[C@@H]([N-]C(=O)C(F)(F)C(F)F)C1)C(F)(F)C(F)F ZINC000749388516 655804007 /nfs/dbraw/zinc/80/40/07/655804007.db2.gz YBVYXNYBTXVGGE-NKWVEPMBSA-N -2 0 384.267 2.578 20 30 GFEDRL CN(C)c1ccc(C#N)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000762616749 656051607 /nfs/dbraw/zinc/05/16/07/656051607.db2.gz HNWOLFVSFOJOJG-UHFFFAOYSA-N -2 0 379.825 2.777 20 30 GFEDRL CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000795361009 658811242 /nfs/dbraw/zinc/81/12/42/658811242.db2.gz FXZQQOZEZKQDCZ-UHFFFAOYSA-N -2 0 383.788 2.891 20 30 GFEDRL