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-])s2)cc1Cl ZINC000126038352 958576785 /nfs/dbraw/zinc/57/67/85/958576785.db2.gz ONCXFHRRKSMWEZ-UHFFFAOYSA-N -2 0 342.785 2.772 20 30 EFEDRL C=CCCC[C@H](NC(=O)c1cccc(Br)c1[O-])C(=O)[O-] ZINC001573364818 963051287 /nfs/dbraw/zinc/05/12/87/963051287.db2.gz BVEDUDVRTXMFIN-NSHDSACASA-N -2 0 342.189 2.694 20 30 EFEDRL CC(=NNc1ccccc1C(=O)[O-])c1cc(C(=O)[O-])c(C)nc1C ZINC000776723996 978775159 /nfs/dbraw/zinc/77/51/59/978775159.db2.gz IUEVAAAWFAGEAO-UHFFFAOYSA-N -2 0 327.340 2.931 20 30 EFEDRL O=C([O-])c1ccc(N=NC2CC[C@@H](C(=O)[O-])c3ccccc32)nc1 ZINC000789034782 978798049 /nfs/dbraw/zinc/79/80/49/978798049.db2.gz RXZXIFAPKITEEP-CYBMUJFWSA-N -2 0 325.324 2.558 20 30 EFEDRL O=C([O-])c1ccc(N=NC2CC[C@H](C(=O)[O-])c3ccccc32)nc1 ZINC000789034786 978798179 /nfs/dbraw/zinc/79/81/79/978798179.db2.gz RXZXIFAPKITEEP-ZDUSSCGKSA-N -2 0 325.324 2.558 20 30 EFEDRL N#Cc1ccc([C@@H](OC(=O)c2c(F)cc([O-])cc2F)C(=O)[O-])cc1 ZINC000833073191 979077623 /nfs/dbraw/zinc/07/76/23/979077623.db2.gz WYVQHGYANQJZRT-CQSZACIVSA-N -2 0 333.246 2.525 20 30 EFEDRL CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(C)c(C(=O)[O-])c1 ZINC001595711824 982301182 /nfs/dbraw/zinc/30/11/82/982301182.db2.gz AHDMJXUBSMJUMQ-OAHLLOKOSA-N -2 0 330.384 2.712 20 30 EFEDRL C[C@@H](Oc1cccc(C(=O)/C=C/c2ccoc2C(=O)[O-])c1)C(=O)[O-] ZINC001593634790 995927774 /nfs/dbraw/zinc/92/77/74/995927774.db2.gz AWUJLCWQPYSLTQ-BRAIEQGRSA-N -2 0 330.292 2.726 20 30 EFEDRL C[C@H](Oc1cccc(C(=O)/C=C\c2ccc(C(=O)[O-])o2)c1)C(=O)[O-] ZINC001593635001 995930501 /nfs/dbraw/zinc/93/05/01/995930501.db2.gz JBUHQGDGTAJGHN-BXKUYDPTSA-N -2 0 330.292 2.726 20 30 EFEDRL Cc1nc(SC=C([O-])C(C(=O)[O-])c2nc3ccccc3[nH]2)[nH]c1C ZINC001600717153 1095285929 /nfs/dbraw/zinc/28/59/29/1095285929.db2.gz CWUWXNHEQILYOT-UHFFFAOYSA-N -2 0 344.396 2.522 20 30 EFEDRL N#Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)ccc1Cl ZINC001601091136 1095502894 /nfs/dbraw/zinc/50/28/94/1095502894.db2.gz PFTSCLGNTIQEGX-UHFFFAOYSA-N -2 0 342.785 2.772 20 30 EFEDRL N#Cc1cccc([C@H](OC(=O)c2ccc([O-])c(Cl)c2)C(=O)[O-])c1 ZINC001601117387 1095522364 /nfs/dbraw/zinc/52/23/64/1095522364.db2.gz JVWRTAHCXBGGEX-AWEZNQCLSA-N -2 0 331.711 2.900 20 30 EFEDRL O=C([O-])[C@H](C/N=C/c1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCOC1 ZINC001601647696 1095783335 /nfs/dbraw/zinc/78/33/35/1095783335.db2.gz BVJIWJTYODBUFX-ULRQZSOLSA-N -2 0 332.183 2.855 20 30 EFEDRL C#CCOc1ccccc1[N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001602734627 1096358418 /nfs/dbraw/zinc/35/84/18/1096358418.db2.gz TWTSCVPAGIZVRF-UHFFFAOYSA-N -2 0 345.376 2.506 20 30 EFEDRL C[C@@H](Oc1cccc(C=NNc2cccc(F)c2C(=O)[O-])c1)C(=O)[O-] ZINC001604441661 1096856278 /nfs/dbraw/zinc/85/62/78/1096856278.db2.gz QETZGGSMMUHBHL-SNVBAGLBSA-N -2 0 346.314 2.822 20 30 EFEDRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C#N)c1C ZINC001605885300 1097265058 /nfs/dbraw/zinc/26/50/58/1097265058.db2.gz PQCHVAACBOUNSJ-UHFFFAOYSA-N -2 0 334.353 2.521 20 30 EFEDRL N#Cc1ccnc(NC2([P@](=O)([O-])O)Cc3ccccc3C2)c1Cl ZINC001167934436 1097338157 /nfs/dbraw/zinc/33/81/57/1097338157.db2.gz JCTGOJLBVHAOBQ-UHFFFAOYSA-N -2 0 349.714 2.691 20 30 EFEDRL COc1cc(C=NNc2cccc(F)c2C(=O)[O-])cc([N+](=O)[O-])c1[O-] ZINC001607152940 1097544720 /nfs/dbraw/zinc/54/47/20/1097544720.db2.gz DVTWIYYNYWYWFE-UHFFFAOYSA-N -2 0 349.274 2.592 20 30 EFEDRL Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC001607564843 1097662893 /nfs/dbraw/zinc/66/28/93/1097662893.db2.gz UQFBIODJEGFXKZ-UHFFFAOYSA-N -2 0 349.705 2.710 20 30 EFEDRL Cc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)sc1C(=O)[O-] ZINC001607697317 1097702203 /nfs/dbraw/zinc/70/22/03/1097702203.db2.gz JBHLNURXWXVPAG-UHFFFAOYSA-N -2 0 336.394 2.622 20 30 EFEDRL Cc1csc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1C(=O)[O-] ZINC001607934403 1097782008 /nfs/dbraw/zinc/78/20/08/1097782008.db2.gz XNHRDEWGMWTJNM-UHFFFAOYSA-N -2 0 340.357 2.566 20 30 EFEDRL N#CCN(CCC(=O)[O-])Cc1cc(Cl)cc(Br)c1[O-] ZINC001608186324 1097854002 /nfs/dbraw/zinc/85/40/02/1097854002.db2.gz KCHRCWSDDIFQAH-UHFFFAOYSA-N -2 0 347.596 2.608 20 30 EFEDRL O=C([O-])COc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC001608758115 1098011446 /nfs/dbraw/zinc/01/14/46/1098011446.db2.gz MTKUSUVHVIRCBF-KRXBUXKQSA-N -2 0 343.291 2.660 20 30 EFEDRL N#Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000013341096 207374598 /nfs/dbraw/zinc/37/45/98/207374598.db2.gz PXQWMEQGMPOWBE-UHFFFAOYSA-N -2 0 336.756 2.711 20 30 EFEDRL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000352438252 142487938 /nfs/dbraw/zinc/48/79/38/142487938.db2.gz QEZRWKJNHVEYJX-UHFFFAOYSA-N -2 0 340.744 2.612 20 30 EFEDRL Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)c1C#N ZINC000518461642 268056503 /nfs/dbraw/zinc/05/65/03/268056503.db2.gz XNJDJOUOFNWXNS-UHFFFAOYSA-N -2 0 344.392 2.983 20 30 EFEDRL N#Cc1ccc(C(=O)[O-])nc1/C=C\c1cccc(OCCC(=O)[O-])c1 ZINC000349891698 303189213 /nfs/dbraw/zinc/18/92/13/303189213.db2.gz HMMHINYQXGARCF-XQRVVYSFSA-N -2 0 338.319 2.675 20 30 EFEDRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000548533417 318117985 /nfs/dbraw/zinc/11/79/85/318117985.db2.gz HSKFHCLQGKCRFT-UHFFFAOYSA-N -2 0 348.355 2.813 20 30 EFEDRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c1 ZINC000156285791 472686994 /nfs/dbraw/zinc/68/69/94/472686994.db2.gz FQGLDSKWXLCLJA-UHFFFAOYSA-N -2 0 348.355 2.699 20 30 EFEDRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c1 ZINC000178955213 473600275 /nfs/dbraw/zinc/60/02/75/473600275.db2.gz QGYLROBXSSICND-UHFFFAOYSA-N -2 0 348.355 2.813 20 30 EFEDRL C=CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000352562779 475415219 /nfs/dbraw/zinc/41/52/19/475415219.db2.gz MPYAWWZMSYKTAY-UHFFFAOYSA-N -2 0 339.394 2.812 20 30 EFEDRL Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2C#N)cc1C(=O)[O-] ZINC000362124725 476016290 /nfs/dbraw/zinc/01/62/90/476016290.db2.gz MJGOERYRIUSVOC-UHFFFAOYSA-N -2 0 330.365 2.674 20 30 EFEDRL O=C([O-])CCOc1cccc(/C=C/C(=O)c2ccc(O)cc2[O-])c1 ZINC000757468411 575839867 /nfs/dbraw/zinc/83/98/67/575839867.db2.gz VAGRGOQADYUYGS-QPJJXVBHSA-N -2 0 328.320 2.847 20 30 EFEDRL COc1ccc([O-])c(C(=O)/C=C\c2cc(OC)c([O-])c([N+](=O)[O-])c2)c1 ZINC000757467773 575839929 /nfs/dbraw/zinc/83/99/29/575839929.db2.gz KVRCNWJFYYTPBF-HYXAFXHYSA-N -2 0 345.307 2.919 20 30 EFEDRL C[C@H](Oc1cccc(/C=C/C(=O)c2ccc(O)cc2[O-])c1)C(=O)[O-] ZINC000757473411 575840396 /nfs/dbraw/zinc/84/03/96/575840396.db2.gz XCZLCYVFLQDWJS-BWNDKRECSA-N -2 0 328.320 2.846 20 30 EFEDRL O=C([O-])C(=O)/C(=C/c1ccc(C(=O)[O-])o1)c1ccc2ccccc2n1 ZINC000739497950 599831120 /nfs/dbraw/zinc/83/11/20/599831120.db2.gz IFUSAWPHOXEVRS-FMIVXFBMSA-N -2 0 337.287 2.720 20 30 EFEDRL CCCCCCNC(=O)C(C#N)=C([O-])c1cccc(NC(=O)[O-])c1 ZINC000736982823 600056040 /nfs/dbraw/zinc/05/60/40/600056040.db2.gz CNMWOFZAAUPHHI-CQSZACIVSA-N -2 0 331.372 2.795 20 30 EFEDRL COc1ccc([C@H](CC(=O)[O-])/N=C\c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000737949347 600494712 /nfs/dbraw/zinc/49/47/12/600494712.db2.gz LOUJNYZANRNEKT-PACYTGELSA-N -2 0 344.323 2.944 20 30 EFEDRL COc1ccc([C@@H](CC(=O)[O-])/N=C\c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000737949350 600494982 /nfs/dbraw/zinc/49/49/82/600494982.db2.gz LOUJNYZANRNEKT-YQYFLZKSSA-N -2 0 344.323 2.944 20 30 EFEDRL O=C([O-])CCCOc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])[nH]2)cc1 ZINC000833227344 601331048 /nfs/dbraw/zinc/33/10/48/601331048.db2.gz FJMLRRYCERZCRS-UXBLZVDNSA-N -2 0 343.335 2.853 20 30 EFEDRL C[C@H](Oc1ccc(C=NNc2ccccc2C(=O)[O-])cc1)C(=O)[O-] ZINC000794888484 602071084 /nfs/dbraw/zinc/07/10/84/602071084.db2.gz QVEGKCRPGXJINV-NSHDSACASA-N -2 0 328.324 2.683 20 30 EFEDRL N#Cc1ccc([O-])c(NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])c1 ZINC000786466791 1275416607 /nfs/dbraw/zinc/41/66/07/1275416607.db2.gz XJDJKKBDTHIPKA-UHFFFAOYSA-N -2 0 338.298 2.547 20 30 EFEDRL O=C([O-])CCOc1cccc(C=NNc2ccc(C(=O)[O-])cc2)c1 ZINC000746676685 1275755572 /nfs/dbraw/zinc/75/55/72/1275755572.db2.gz KAIHISMQXMWSCX-UHFFFAOYSA-N -2 0 328.324 2.684 20 30 EFEDRL O=C([O-])c1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nn2)c([O-])c1 ZINC000806559910 1281096443 /nfs/dbraw/zinc/09/64/43/1281096443.db2.gz GMNLEZDODRZOLD-CLFYSBASSA-N -2 0 335.319 2.567 20 30 EFEDRL O=C([O-])Cc1ccc(C(=O)/C=C\c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000809155030 1282067195 /nfs/dbraw/zinc/06/71/95/1282067195.db2.gz MOMCSMPPVUZSHY-CLTKARDFSA-N -2 0 326.304 2.614 20 30 EFEDRL CC[C@@H](NN=C(C)c1oc2cc(C)ccc2c1CC(=O)[O-])C(=O)[O-] ZINC000814936992 1287168930 /nfs/dbraw/zinc/16/89/30/1287168930.db2.gz QIRHQMSJUCOQCX-CYBMUJFWSA-N -2 0 332.356 2.545 20 30 EFEDRL N#Cc1cc([N-]S(=O)(=O)Cc2cc(F)cc(F)c2)c([O-])cc1F ZINC001185135874 1290601431 /nfs/dbraw/zinc/60/14/31/1290601431.db2.gz YRIISAPHEWRGRK-UHFFFAOYSA-N -2 0 342.298 2.623 20 30 EFEDRL N#Cc1c([O-])csc1[N-]S(=O)(=O)c1ccc(-c2cnco2)cc1 ZINC001185192308 1290613001 /nfs/dbraw/zinc/61/30/01/1290613001.db2.gz NCJYQIASRLJXRF-UHFFFAOYSA-N -2 0 347.377 2.781 20 30 EFEDRL Cc1coc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1C#N ZINC001188282427 1291365785 /nfs/dbraw/zinc/36/57/85/1291365785.db2.gz NSSYYIRBEPNLMZ-UHFFFAOYSA-N -2 0 340.744 2.612 20 30 EFEDRL O=C([O-])COc1cccc(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000013357767 1308897686 /nfs/dbraw/zinc/89/76/86/1308897686.db2.gz PWOFTZLQPOQJGR-GQCTYLIASA-N -2 0 343.291 2.660 20 30 EFEDRL CCCCCCCCCCCOC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001224752316 1311431116 /nfs/dbraw/zinc/43/11/16/1311431116.db2.gz KVEMEECNJWLVAJ-UKRRQHHQSA-N -2 0 346.420 2.597 20 30 EFEDRL N#Cc1ccnc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])c1 ZINC001251383675 1315344450 /nfs/dbraw/zinc/34/44/50/1315344450.db2.gz DBJVGBURNNIFIQ-UHFFFAOYSA-N -2 0 344.179 2.766 20 30 EFEDRL C#Cc1cccnc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251389823 1315345624 /nfs/dbraw/zinc/34/56/24/1315345624.db2.gz JWNCVMZGIHCHRK-UHFFFAOYSA-N -2 0 343.191 2.876 20 30 EFEDRL C=CCC[C@H](NS(=O)(=O)c1cc(Cl)sc1Cl)C(=O)[O-] ZINC000316576762 1315468144 /nfs/dbraw/zinc/46/81/44/1315468144.db2.gz GYIWZWGHDVSLTM-LURJTMIESA-N -2 0 344.241 2.753 20 30 EFEDRL N#Cc1c([O-])csc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC001259107380 1316210659 /nfs/dbraw/zinc/21/06/59/1316210659.db2.gz TXNXDNAVODTDNF-UHFFFAOYSA-N -2 0 339.785 2.651 20 30 EFEDRL N#Cc1c([O-])csc1[N-]S(=O)(=O)c1cccc2cnccc21 ZINC001259152074 1316213653 /nfs/dbraw/zinc/21/36/53/1316213653.db2.gz RAFKFDFTYSHAKO-UHFFFAOYSA-N -2 0 331.378 2.674 20 30 EFEDRL N#Cc1c([O-])csc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC001259495488 1316251597 /nfs/dbraw/zinc/25/15/97/1316251597.db2.gz IUZGRIGQYFXACO-UHFFFAOYSA-N -2 0 334.300 2.543 20 30 EFEDRL Cc1ccc(C)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1C#N ZINC001260190974 1316321691 /nfs/dbraw/zinc/32/16/91/1316321691.db2.gz PUWORLOAVZMGQI-UHFFFAOYSA-N -2 0 330.365 2.674 20 30 EFEDRL COC(=O)c1cccc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC001322546136 1329466613 /nfs/dbraw/zinc/46/66/13/1329466613.db2.gz AISRHECBFSRCDU-ALCCZGGFSA-N -2 0 326.304 2.773 20 30 EFEDRL O=C([O-])c1cc(NN=Cc2ccccc2-c2nn[n-]n2)ccc1Cl ZINC000826461740 1425997799 /nfs/dbraw/zinc/99/77/99/1425997799.db2.gz FLIDAVDESOXWLS-UHFFFAOYSA-N -2 0 342.746 2.664 20 30 EFEDRL COc1ccc(C=CC(=O)c2ccc([O-])c(F)c2)cc1-c1nn[n-]n1 ZINC000737081895 1441845291 /nfs/dbraw/zinc/84/52/91/1441845291.db2.gz RNOVFSRSGHDJPR-GORDUTHDSA-N -2 0 340.314 2.616 20 30 EFEDRL O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1cc(F)cc(F)c1[O-] ZINC000822929422 1442232743 /nfs/dbraw/zinc/23/27/43/1442232743.db2.gz UEVSPRVFCUHOSR-PLNGDYQASA-N -2 0 328.278 2.747 20 30 EFEDRL O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)cc1[O-] ZINC000826401045 1442439767 /nfs/dbraw/zinc/43/97/67/1442439767.db2.gz NXAKRMVJZMSJTL-QHHAFSJGSA-N -2 0 328.278 2.747 20 30 EFEDRL O=C([O-])c1cc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cs1 ZINC000826402291 1443236377 /nfs/dbraw/zinc/23/63/77/1443236377.db2.gz QIHUZNNJFCLSFD-WAYWQWQTSA-N -2 0 326.337 2.523 20 30 EFEDRL CCc1ccc(NS(=O)(=O)c2ccc(CC#N)cc2)c(C(=O)[O-])c1 ZINC000326520656 971300372 /nfs/dbraw/zinc/30/03/72/971300372.db2.gz AHRZFUKPLGICJY-UHFFFAOYSA-N -2 0 344.392 2.814 20 30 EFEDRL C=CCCC[C@@H](NC(=O)c1cccc(C(F)(F)F)c1[O-])C(=O)[O-] ZINC001573365760 963055155 /nfs/dbraw/zinc/05/51/55/963055155.db2.gz HZGTUEVCKHYOSA-LLVKDONJSA-N -2 0 331.290 2.950 20 30 EFEDRL CCCCCCCCC(=O)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001595704624 982278022 /nfs/dbraw/zinc/27/80/22/982278022.db2.gz DTRDUGLKUWWHMJ-UHFFFAOYSA-N -2 0 345.417 2.842 20 30 EFEDRL C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001588886818 984473447 /nfs/dbraw/zinc/47/34/47/984473447.db2.gz SCKUVDNKQXHPQD-UHFFFAOYSA-N -2 0 349.412 2.761 20 30 EFEDRL C[C@@H](Oc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1F)C(=O)[O-] ZINC001593633831 995924246 /nfs/dbraw/zinc/92/42/46/995924246.db2.gz KAADYOYJDRUDDP-SECBINFHSA-N -2 0 344.298 2.507 20 30 EFEDRL C[C@@H](Oc1cccc(C(=O)/C=C\c2ccc(C(=O)[O-])o2)c1)C(=O)[O-] ZINC001593635002 995930522 /nfs/dbraw/zinc/93/05/22/995930522.db2.gz JBUHQGDGTAJGHN-ONRRBMGISA-N -2 0 330.292 2.726 20 30 EFEDRL COc1ccc(C(=O)/C=C/c2ccoc2C(=O)[O-])cc1CC(=O)[O-] ZINC001599478772 998575137 /nfs/dbraw/zinc/57/51/37/998575137.db2.gz UIRYYCXSMHSXIM-DUXPYHPUSA-N -2 0 330.292 2.510 20 30 EFEDRL Cc1csc([N-]S(=O)(=O)c2ccc(CC#N)cc2)c1C(=O)[O-] ZINC001600662375 1095243727 /nfs/dbraw/zinc/24/37/27/1095243727.db2.gz JNDOUOFUVOHDSM-UHFFFAOYSA-N -2 0 336.394 2.622 20 30 EFEDRL N#Cc1ccc(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)cc1[O-] ZINC001601093503 1095504380 /nfs/dbraw/zinc/50/43/80/1095504380.db2.gz QXYXZDPLWFKMCS-UHFFFAOYSA-N -2 0 333.303 2.763 20 30 EFEDRL N#Cc1cccc([N-]S(=O)(=O)c2c(Cl)cccc2C(=O)[O-])c1 ZINC001601121224 1095525531 /nfs/dbraw/zinc/52/55/31/1095525531.db2.gz FCBKKISPFZJBGW-UHFFFAOYSA-N -2 0 336.756 2.711 20 30 EFEDRL C=C(C)c1cccc(NC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1 ZINC001602772047 1096367985 /nfs/dbraw/zinc/36/79/85/1096367985.db2.gz HUEKAFIQWJVONL-OCCSQVGLSA-N -2 0 332.356 2.501 20 30 EFEDRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC001607522929 1097650870 /nfs/dbraw/zinc/65/08/70/1097650870.db2.gz PYULHIXQNQAJPM-UHFFFAOYSA-N -2 0 336.394 2.622 20 30 EFEDRL Cc1cccc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])c1C#N ZINC001607857996 1097756081 /nfs/dbraw/zinc/75/60/81/1097756081.db2.gz AASRUQVUVJUFJO-UHFFFAOYSA-N -2 0 330.365 2.674 20 30 EFEDRL Cc1csc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC001607923002 1097778545 /nfs/dbraw/zinc/77/85/45/1097778545.db2.gz JCQUYZDZHSJBAC-UHFFFAOYSA-N -2 0 340.357 2.566 20 30 EFEDRL N#CC(C(=O)[C@H]1C[C@@H](C(=O)[O-])C1)=C([O-])c1cc2c(s1)CCCC2 ZINC001608170657 1097850800 /nfs/dbraw/zinc/85/08/00/1097850800.db2.gz WGIRXDUYOPGMBI-TUAOUCFPSA-N -2 0 331.393 2.629 20 30 EFEDRL N#Cc1ccc([C@H](OC(=O)c2cc(F)c([O-])c(F)c2)C(=O)[O-])cc1 ZINC001608203277 1097861062 /nfs/dbraw/zinc/86/10/62/1097861062.db2.gz DSWQFHSKMGQVMS-AWEZNQCLSA-N -2 0 333.246 2.525 20 30 EFEDRL C#Cc1cccc([N-]S(=O)(=O)c2c(Cl)cccc2C(=O)[O-])c1 ZINC001609190060 1098190019 /nfs/dbraw/zinc/19/00/19/1098190019.db2.gz UTLNHQCKBQIARV-UHFFFAOYSA-N -2 0 335.768 2.820 20 30 EFEDRL CCc1cc(C#N)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)s1 ZINC001610058181 1098533335 /nfs/dbraw/zinc/53/33/35/1098533335.db2.gz KLAARDFSGHEHFU-UHFFFAOYSA-N -2 0 336.394 2.681 20 30 EFEDRL Cc1csc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1C(=O)[O-] ZINC001610432698 1098673475 /nfs/dbraw/zinc/67/34/75/1098673475.db2.gz MAXHVUUADFPVLN-UHFFFAOYSA-N -2 0 336.394 2.736 20 30 EFEDRL O=C([O-])COc1ccc(C(=O)/C=C/c2cc(C(=O)[O-])cs2)cc1 ZINC001610785279 1098885423 /nfs/dbraw/zinc/88/54/23/1098885423.db2.gz XJXIAHJIRYZXQJ-AATRIKPKSA-N -2 0 332.333 2.806 20 30 EFEDRL C[C@H](Oc1ccc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cc1)C(=O)[O-] ZINC000349103859 146053165 /nfs/dbraw/zinc/05/31/65/146053165.db2.gz DISIQNYSZDXASO-OHYQPGSNSA-N -2 0 338.319 2.674 20 30 EFEDRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc(C#N)c2)c1 ZINC000156263380 293503838 /nfs/dbraw/zinc/50/38/38/293503838.db2.gz OQVNKYPVIRNUKY-UHFFFAOYSA-N -2 0 334.328 2.505 20 30 EFEDRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C#N)ccc1C ZINC000316708895 311235496 /nfs/dbraw/zinc/23/54/96/311235496.db2.gz RDKUKEIMINDCLF-UHFFFAOYSA-N -2 0 336.394 2.736 20 30 EFEDRL N#Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1Cl ZINC000010515062 471738284 /nfs/dbraw/zinc/73/82/84/471738284.db2.gz YOJBVRIDXRGQAS-UHFFFAOYSA-N -2 0 342.785 2.772 20 30 EFEDRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000013278918 471825170 /nfs/dbraw/zinc/82/51/70/471825170.db2.gz GCFJLCNXOVJXLM-UHFFFAOYSA-N -2 0 348.405 2.779 20 30 EFEDRL N#Cc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)[nH]cc2C(=O)[O-] ZINC000347397655 475295383 /nfs/dbraw/zinc/29/53/83/475295383.db2.gz OWRWGZYOYGDQNQ-UHFFFAOYSA-N -2 0 341.348 2.539 20 30 EFEDRL Cc1[n-][nH]c(=NC(=O)c2cc(Cl)c3ccccc3c2[O-])c1C#N ZINC000436921437 477636186 /nfs/dbraw/zinc/63/61/86/477636186.db2.gz SQJVNWHOHBFSDH-UHFFFAOYSA-N -2 0 326.743 2.776 20 30 EFEDRL C=CCOc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000673629533 547922285 /nfs/dbraw/zinc/92/22/85/547922285.db2.gz OQJHIRWBQIQWMZ-UHFFFAOYSA-N -2 0 339.394 2.812 20 30 EFEDRL O=C([O-])c1ccc([O-])c(C(=O)/C=C/c2cccc3c2OCCO3)c1 ZINC000757471333 575840174 /nfs/dbraw/zinc/84/01/74/575840174.db2.gz ATNLGKYWCGLPRD-GQCTYLIASA-N -2 0 326.304 2.758 20 30 EFEDRL CC(=O)Nc1ccc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC000757474292 575840433 /nfs/dbraw/zinc/84/04/33/575840433.db2.gz RMHMRFHZBGMHDV-YWEYNIOJSA-N -2 0 325.320 2.945 20 30 EFEDRL N#Cc1ccc([O-])c(NC(=O)c2nn(-c3ccccc3F)cc2[O-])c1 ZINC000759720466 575925834 /nfs/dbraw/zinc/92/58/34/575925834.db2.gz GPUYHLJRFSYNLG-UHFFFAOYSA-N -2 0 338.298 2.547 20 30 EFEDRL N#Cc1ccc([O-])c(NC(=O)c2ccc(Br)cc2[O-])c1 ZINC000770129418 577403514 /nfs/dbraw/zinc/40/35/14/577403514.db2.gz QIPHOPGKVCGDGS-UHFFFAOYSA-N -2 0 333.141 2.984 20 30 EFEDRL COc1cc(C=CC(=O)c2sccc2[O-])ccc1OCC(=O)[O-] ZINC000773148817 581400846 /nfs/dbraw/zinc/40/08/46/581400846.db2.gz IBDOZRPBCKJQIU-RQOWECAXSA-N -2 0 334.349 2.822 20 30 EFEDRL N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(F)c(NC(=O)[O-])c1 ZINC000739142583 600100880 /nfs/dbraw/zinc/10/08/80/600100880.db2.gz PYWGNHMBZKRZPN-UHFFFAOYSA-N -2 0 335.316 2.588 20 30 EFEDRL CC(N=Nc1ccccc1C(=O)[O-])c1cccc(OCC(=O)[O-])c1 ZINC000812445386 605101195 /nfs/dbraw/zinc/10/11/95/605101195.db2.gz WUPAJAONQHMBIF-UHFFFAOYSA-N -2 0 328.324 2.684 20 30 EFEDRL CC(N=Nc1ccccc1C(=O)[O-])c1ccccc1OCC(=O)[O-] ZINC000833386914 605326547 /nfs/dbraw/zinc/32/65/47/605326547.db2.gz BZBOXSIUVBNGED-UHFFFAOYSA-N -2 0 328.324 2.684 20 30 EFEDRL O=C([O-])COc1cccc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000733206734 1265126088 /nfs/dbraw/zinc/12/60/88/1265126088.db2.gz PNFSKJQJAQIEOY-PLNGDYQASA-N -2 0 332.333 2.806 20 30 EFEDRL O=C([O-])c1ccc(C(=O)/C=C/c2cccc3c2OCCO3)c([O-])c1 ZINC000806558479 1281095156 /nfs/dbraw/zinc/09/51/56/1281095156.db2.gz DLRMYPCCCQXRBQ-FNORWQNLSA-N -2 0 326.304 2.758 20 30 EFEDRL CCOC(=O)c1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2[O-])o1 ZINC000806561638 1281095914 /nfs/dbraw/zinc/09/59/14/1281095914.db2.gz XIOILJRIJVOAKA-DAXSKMNVSA-N -2 0 330.292 2.756 20 30 EFEDRL Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1ccc(O)c(C(=O)[O-])c1)CC2 ZINC000809154814 1282067881 /nfs/dbraw/zinc/06/78/81/1282067881.db2.gz GHMUAHMTTROCJZ-UXBLZVDNSA-N -2 0 342.303 2.903 20 30 EFEDRL CC[C@H](NN=C(C)c1oc2cc(C)ccc2c1CC(=O)[O-])C(=O)[O-] ZINC000814936993 1287168692 /nfs/dbraw/zinc/16/86/92/1287168692.db2.gz QIRHQMSJUCOQCX-ZDUSSCGKSA-N -2 0 332.356 2.545 20 30 EFEDRL N#Cc1cc2cccnc2nc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176236389 1287909755 /nfs/dbraw/zinc/90/97/55/1287909755.db2.gz LUBDKMQAPWKROR-UHFFFAOYSA-N -2 0 334.291 2.641 20 30 EFEDRL Cc1cc(C#N)ccc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186133286 1290869438 /nfs/dbraw/zinc/86/94/38/1290869438.db2.gz COMSGQKGOSKJLP-UHFFFAOYSA-N -2 0 334.328 2.505 20 30 EFEDRL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1C#N ZINC001186192791 1290891568 /nfs/dbraw/zinc/89/15/68/1290891568.db2.gz ABUNNRBDVAPEEQ-UHFFFAOYSA-N -2 0 348.355 2.813 20 30 EFEDRL N#Cc1ccc(F)c(S(=O)(=O)[N-]c2cc([O-])c(Cl)cc2F)c1 ZINC001190647846 1292262601 /nfs/dbraw/zinc/26/26/01/1292262601.db2.gz KUCLPYKRKBYBIU-UHFFFAOYSA-N -2 0 344.726 2.996 20 30 EFEDRL N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)c([O-])c(F)c2)c1 ZINC001190969604 1292404088 /nfs/dbraw/zinc/40/40/88/1292404088.db2.gz DYALHCZXFOKOBT-UHFFFAOYSA-N -2 0 344.726 2.996 20 30 EFEDRL Cc1ccc(C#N)c([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1 ZINC001192100255 1292774053 /nfs/dbraw/zinc/77/40/53/1292774053.db2.gz OZIBYFLJJKDDRO-UHFFFAOYSA-N -2 0 344.392 2.685 20 30 EFEDRL N#Cc1cccc(F)c1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192131608 1292787608 /nfs/dbraw/zinc/78/76/08/1292787608.db2.gz CHCMJAKPYRKPRN-UHFFFAOYSA-N -2 0 348.355 2.515 20 30 EFEDRL C#Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1F ZINC001192145907 1292793525 /nfs/dbraw/zinc/79/35/25/1292793525.db2.gz XZIPEMPGPUTAIG-UHFFFAOYSA-N -2 0 347.367 2.625 20 30 EFEDRL N#Cc1c([O-])csc1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196650445 1294319512 /nfs/dbraw/zinc/31/95/12/1294319512.db2.gz LZSRQPSNCDAXKH-UHFFFAOYSA-N -2 0 339.785 2.651 20 30 EFEDRL O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000136506070 1294646530 /nfs/dbraw/zinc/64/65/30/1294646530.db2.gz XVSSXEKEHFUELO-DAFODLJHSA-N -2 0 330.252 2.810 20 30 EFEDRL CCOC(=O)c1ccc(C#N)c(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242162215 1314186829 /nfs/dbraw/zinc/18/68/29/1314186829.db2.gz QTKGAHGNMQENPF-UHFFFAOYSA-N -2 0 339.303 2.798 20 30 EFEDRL CCCCCCCCCCCOC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001224752312 1311431209 /nfs/dbraw/zinc/43/12/09/1311431209.db2.gz KVEMEECNJWLVAJ-DZGCQCFKSA-N -2 0 346.420 2.597 20 30 EFEDRL C=CCC[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000316524533 1315467314 /nfs/dbraw/zinc/46/73/14/1315467314.db2.gz VMRHBSLMZSPMTQ-SNVBAGLBSA-N -2 0 338.212 2.691 20 30 EFEDRL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(O)c(C#N)c1 ZINC001258937117 1316194242 /nfs/dbraw/zinc/19/42/42/1316194242.db2.gz JDRQGNYEKHEGPR-UHFFFAOYSA-N -2 0 338.772 2.727 20 30 EFEDRL N#Cc1c([O-])csc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001259507012 1316253245 /nfs/dbraw/zinc/25/32/45/1316253245.db2.gz WPEJTKBOHXPBJT-UHFFFAOYSA-N -2 0 332.765 2.919 20 30 EFEDRL N#Cc1cc([N-]S(=O)(=O)CCc2cccc(F)c2)c([O-])cc1F ZINC001259774714 1316276382 /nfs/dbraw/zinc/27/63/82/1316276382.db2.gz KSOQHXRKNJQLDT-UHFFFAOYSA-N -2 0 338.335 2.526 20 30 EFEDRL C=CCS(=O)(=O)[N-]c1cc(Br)cc(Cl)c1[O-] ZINC001259931993 1316299599 /nfs/dbraw/zinc/29/95/99/1316299599.db2.gz MSKPWJKJFYRIOA-UHFFFAOYSA-N -2 0 326.599 2.736 20 30 EFEDRL O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1cc(F)cc(F)c1[O-] ZINC000822921924 1428960126 /nfs/dbraw/zinc/96/01/26/1428960126.db2.gz AKDMJQROSWNXPT-UTCJRWHESA-N -2 0 328.278 2.747 20 30 EFEDRL O=C(C=Cc1cc(F)c([O-])c(F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826399890 1425238916 /nfs/dbraw/zinc/23/89/16/1425238916.db2.gz JCHMJMOGNXVZJX-RJRFIUFISA-N -2 0 346.268 2.886 20 30 EFEDRL CC(=NNc1cccc(C(=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823963058 1449744451 /nfs/dbraw/zinc/74/44/51/1449744451.db2.gz UNZLQSNOUQONDO-UHFFFAOYSA-N -2 0 340.318 2.540 20 30 EFEDRL O=C([O-])COc1cccc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)c1 ZINC000198598316 715562311 /nfs/dbraw/zinc/56/23/11/715562311.db2.gz RHOTYTPYWLMIJA-TWGQIWQCSA-N -2 0 326.304 2.744 20 30 EFEDRL CC[C@@H](NC(=O)C(C#N)=C([O-])c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC001595232955 980129175 /nfs/dbraw/zinc/12/91/75/980129175.db2.gz OBAJZNANWKBTQJ-CHWSQXEVSA-N -2 0 340.335 2.568 20 30 EFEDRL Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cc(C(=O)[O-])co1 ZINC001599966182 985909722 /nfs/dbraw/zinc/90/97/22/985909722.db2.gz JHZUTXGKOVRHMX-GFCCVEGCSA-N -2 0 336.303 2.973 20 30 EFEDRL C[C@H](Oc1cccc(C(=O)/C=C/c2ccoc2C(=O)[O-])c1)C(=O)[O-] ZINC001593634792 995928385 /nfs/dbraw/zinc/92/83/85/995928385.db2.gz AWUJLCWQPYSLTQ-PORFMDCZSA-N -2 0 330.292 2.726 20 30 EFEDRL N#CC(=C([O-])c1cc(C(=O)[O-])no1)c1nc2cc(F)ccc2s1 ZINC001601046761 1095477939 /nfs/dbraw/zinc/47/79/39/1095477939.db2.gz BLZHKUOFAZWZJX-SSDOTTSWSA-N -2 0 331.284 2.612 20 30 EFEDRL N#Cc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)cc1[O-] ZINC001601093364 1095503692 /nfs/dbraw/zinc/50/36/92/1095503692.db2.gz LRARRNIRNGNXQA-UHFFFAOYSA-N -2 0 346.726 2.633 20 30 EFEDRL N#Cc1ccc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)cc1[O-] ZINC001601093535 1095504075 /nfs/dbraw/zinc/50/40/75/1095504075.db2.gz UTBUWHNKCAKIFF-UHFFFAOYSA-N -2 0 340.335 2.760 20 30 EFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2sccc2C(=O)[O-])cc1Cl ZINC001601113620 1095520038 /nfs/dbraw/zinc/52/00/38/1095520038.db2.gz PDGZGKYDYZZGJY-UHFFFAOYSA-N -2 0 342.785 2.772 20 30 EFEDRL Cc1cccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1C#N ZINC001607858020 1097756052 /nfs/dbraw/zinc/75/60/52/1097756052.db2.gz AZXCDNVPWBNGHJ-UHFFFAOYSA-N -2 0 334.328 2.505 20 30 EFEDRL O=C([O-])CCOc1ccc(/C=C\C(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001608730910 1098002504 /nfs/dbraw/zinc/00/25/04/1098002504.db2.gz INQLCZNZPFBAFS-UTCJRWHESA-N -2 0 330.292 2.727 20 30 EFEDRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC001610412608 1098663760 /nfs/dbraw/zinc/66/37/60/1098663760.db2.gz VFNLIYUKHSPPOF-UHFFFAOYSA-N -2 0 336.394 2.622 20 30 EFEDRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC001610412843 1098664624 /nfs/dbraw/zinc/66/46/24/1098664624.db2.gz XPTTWXGCOMMBOA-UHFFFAOYSA-N -2 0 340.357 2.566 20 30 EFEDRL Cc1oc(C)c(Oc2c([O-])cc(Br)cc2[N+](=O)[O-])c1[O-] ZINC001234877531 1111428855 /nfs/dbraw/zinc/42/88/55/1111428855.db2.gz NIUQKWGGQVJEJV-YFKPBYRVSA-N -2 0 344.117 2.661 20 30 EFEDRL N#Cc1ccc(C(=O)[O-])nc1/C=C/c1ccc(OCCC(=O)[O-])cc1 ZINC000341345086 145036894 /nfs/dbraw/zinc/03/68/94/145036894.db2.gz KTPHHWUSZVPBDL-XVNBXDOJSA-N -2 0 338.319 2.675 20 30 EFEDRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C#N)c1C ZINC000533202430 270035786 /nfs/dbraw/zinc/03/57/86/270035786.db2.gz OPXFPQPTGKARCB-UHFFFAOYSA-N -2 0 336.394 2.736 20 30 EFEDRL Cc1cccc(S(=O)(=O)[N-]c2cc(F)ccc2C(=O)[O-])c1C#N ZINC000548539772 318118227 /nfs/dbraw/zinc/11/82/27/318118227.db2.gz OKNDATXCFMATFA-UHFFFAOYSA-N -2 0 334.328 2.505 20 30 EFEDRL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc(C#N)c2C)c1 ZINC000178956731 473600053 /nfs/dbraw/zinc/60/00/53/473600053.db2.gz IQTAHZKMTMVSTC-UHFFFAOYSA-N -2 0 348.355 2.813 20 30 EFEDRL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)sc1C(=O)[O-] ZINC000336852086 476142310 /nfs/dbraw/zinc/14/23/10/476142310.db2.gz JHDAVYFNDGSCKG-UHFFFAOYSA-N -2 0 340.357 2.566 20 30 EFEDRL Cc1cccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c1C#N ZINC000137307592 524805854 /nfs/dbraw/zinc/80/58/54/524805854.db2.gz FAFBZPPYMYAXDH-UHFFFAOYSA-N -2 0 334.328 2.505 20 30 EFEDRL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1 ZINC000174729709 527541765 /nfs/dbraw/zinc/54/17/65/527541765.db2.gz IQWDPSBMJJFBFE-UHFFFAOYSA-N -2 0 344.392 2.721 20 30 EFEDRL O=C([O-])c1ccc([O-])c(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000757472500 575840091 /nfs/dbraw/zinc/84/00/91/575840091.db2.gz JLOSSDZHCAZVKE-DJWKRKHSSA-N -3 0 329.264 2.600 20 30 EFEDRL COc1ccc(C(=O)/C=C\c2cccc(OCC(=O)[O-])c2)c([O-])c1 ZINC000757472660 575840234 /nfs/dbraw/zinc/84/02/34/575840234.db2.gz QWFUASQCGLYEHG-YVMONPNESA-N -2 0 328.320 2.760 20 30 EFEDRL O=C([O-])c1ccc([O-])c(C(=O)/C=C/c2ccccc2-n2cncn2)c1 ZINC000757473810 575840314 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30 EFEDRL Cc1oc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc1C(=O)[O-] ZINC000833030088 601232269 /nfs/dbraw/zinc/23/22/69/601232269.db2.gz RJTHLMNLAVASDD-UHFFFAOYSA-N -2 0 340.744 2.612 20 30 EFEDRL Cc1cc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)oc1C(=O)[O-] ZINC000832886441 601778502 /nfs/dbraw/zinc/77/85/02/601778502.db2.gz CVJQUDUJNQRQRI-UHFFFAOYSA-N -2 0 331.372 2.990 20 30 EFEDRL Cc1sc([N-]S(=O)(=O)c2ccc(C#N)cc2)c(C(=O)[O-])c1C ZINC000833757895 605022762 /nfs/dbraw/zinc/02/27/62/605022762.db2.gz BHDOBVMSCVCXPO-UHFFFAOYSA-N -2 0 336.394 2.736 20 30 EFEDRL N#Cc1ccc([O-])c([N-]S(=O)(=O)CCC2Cc3ccccc3C2)c1 ZINC000788138868 1276053054 /nfs/dbraw/zinc/05/30/54/1276053054.db2.gz GBLFNKUKMMFSDV-UHFFFAOYSA-N -2 0 342.420 2.811 20 30 EFEDRL Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1ccc(O)c(C(=O)[O-])c1)CC2 ZINC000809154813 1282067161 /nfs/dbraw/zinc/06/71/61/1282067161.db2.gz GHMUAHMTTROCJZ-POHAHGRESA-N -2 0 342.303 2.903 20 30 EFEDRL O=C([O-])c1cc(/C=C\C(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1O ZINC000809158878 1282068694 /nfs/dbraw/zinc/06/86/94/1282068694.db2.gz YDDDMLCRDBZIFX-RJRFIUFISA-N -2 0 329.264 2.600 20 30 EFEDRL N#Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)s1 ZINC001187553102 1291191523 /nfs/dbraw/zinc/19/15/23/1291191523.db2.gz IXXVMQDPDSAOGO-UHFFFAOYSA-N -2 0 342.785 2.772 20 30 EFEDRL C#CCOc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000775296080 1291820987 /nfs/dbraw/zinc/82/09/87/1291820987.db2.gz QZBZDMMWLSMBFV-UHFFFAOYSA-N -2 0 345.376 2.506 20 30 EFEDRL N#Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1 ZINC001190647594 1292263422 /nfs/dbraw/zinc/26/34/22/1292263422.db2.gz AMWBRTLTMJNERW-UHFFFAOYSA-N -2 0 326.736 2.857 20 30 EFEDRL Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(O)c(C#N)c1 ZINC001194271315 1293576486 /nfs/dbraw/zinc/57/64/86/1293576486.db2.gz YQDUZWKGYAAMNQ-UHFFFAOYSA-N -2 0 334.335 2.716 20 30 EFEDRL CC(C)(C)n1cc(C#N)cc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198739741 1295213920 /nfs/dbraw/zinc/21/39/20/1295213920.db2.gz YFMMCWYXOOTFMC-UHFFFAOYSA-N -2 0 347.396 2.614 20 30 EFEDRL CCOC(=O)c1scnc1/C=C\C(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000794940660 1303707383 /nfs/dbraw/zinc/70/73/83/1303707383.db2.gz CFRUUNZHOYWVON-XQRVVYSFSA-N -2 0 347.348 2.620 20 30 EFEDRL CCCCCCCCCCCOC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001224752317 1311431200 /nfs/dbraw/zinc/43/12/00/1311431200.db2.gz KVEMEECNJWLVAJ-ZFWWWQNUSA-N -2 0 346.420 2.597 20 30 EFEDRL N#Cc1c([O-])csc1[N-]S(=O)(=O)c1cccc(OC(F)F)c1 ZINC001259438397 1316243081 /nfs/dbraw/zinc/24/30/81/1316243081.db2.gz FSGFJNPNZJGWRH-UHFFFAOYSA-N -2 0 346.336 2.728 20 30 EFEDRL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1C#N ZINC001260228844 1316324695 /nfs/dbraw/zinc/32/46/95/1316324695.db2.gz BMPBUSNLQLHGLV-UHFFFAOYSA-N -2 0 330.365 2.674 20 30 EFEDRL N#Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc(F)c(F)cc1Cl ZINC001260286090 1316328271 /nfs/dbraw/zinc/32/82/71/1316328271.db2.gz ZDANPFXVSBGBRR-UHFFFAOYSA-N -2 0 344.726 2.996 20 30 EFEDRL O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1cc(F)cc(F)c1[O-] ZINC000822929423 1425144089 /nfs/dbraw/zinc/14/40/89/1425144089.db2.gz UEVSPRVFCUHOSR-SNAWJCMRSA-N -2 0 328.278 2.747 20 30 EFEDRL O=C([O-])c1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000826461862 1426769018 /nfs/dbraw/zinc/76/90/18/1426769018.db2.gz ITBMIZCRGGPUCT-UHFFFAOYSA-N -2 0 342.746 2.664 20 30 EFEDRL O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1[O-] ZINC000822922023 1427443170 /nfs/dbraw/zinc/44/31/70/1427443170.db2.gz BWMJIDDPADTWNG-UTCJRWHESA-N -2 0 328.278 2.747 20 30 EFEDRL O=C([O-])c1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000737795755 1427859111 /nfs/dbraw/zinc/85/91/11/1427859111.db2.gz LNNOVVSIZFIVKC-ZZXKWVIFSA-N -2 0 326.337 2.523 20 30 EFEDRL O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cc(F)cc(F)c1[O-] ZINC000822922919 1443322672 /nfs/dbraw/zinc/32/26/72/1443322672.db2.gz KVRGKKQLXTVAHI-IWQZZHSRSA-N -2 0 334.307 2.808 20 30 EFEDRL COc1ccc(C=CC(=O)c2ccc(F)cc2[O-])cc1-c1nn[n-]n1 ZINC000821787432 1449767276 /nfs/dbraw/zinc/76/72/76/1449767276.db2.gz TVZSZPRBIQAZQC-QHHAFSJGSA-N -2 0 340.314 2.616 20 30 EFEDRL C#Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000320552493 724011007 /nfs/dbraw/zinc/01/10/07/724011007.db2.gz PUQKDXQVUFUQHQ-UHFFFAOYSA-N -2 0 335.768 2.820 20 30 EFEDRL COc1cc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)cc([N+](=O)[O-])c1[O-] ZINC000027123366 726868171 /nfs/dbraw/zinc/86/81/71/726868171.db2.gz RAUZIRAUPCRORE-NSCUHMNNSA-N -2 0 349.320 2.965 20 30 EFEDRL N#Cc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1Cl ZINC000113250285 958444098 /nfs/dbraw/zinc/44/40/98/958444098.db2.gz MZYYYYXNXRRXAD-UHFFFAOYSA-N -2 0 342.785 2.772 20 30 EFEDRL CCCc1c(C(=O)Nc2cc(C#N)ccc2[O-])[nH]c(C)c1C(=O)[O-] ZINC001596045661 983335499 /nfs/dbraw/zinc/33/54/99/983335499.db2.gz JTEVYMGDLPUCQK-UHFFFAOYSA-N -2 0 327.340 2.803 20 30 EFEDRL Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001600073318 1094753208 /nfs/dbraw/zinc/75/32/08/1094753208.db2.gz KDZRBPMXDOWKCI-UHFFFAOYSA-N -2 0 349.705 2.710 20 30 EFEDRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC001600301128 1094952811 /nfs/dbraw/zinc/95/28/11/1094952811.db2.gz VRFWIPOAWDSNOI-UHFFFAOYSA-N -2 0 336.394 2.736 20 30 EFEDRL Cc1cccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1C#N ZINC001600542966 1095148412 /nfs/dbraw/zinc/14/84/12/1095148412.db2.gz YOVFJEQWGBWYRQ-UHFFFAOYSA-N -2 0 334.328 2.505 20 30 EFEDRL N#Cc1ccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)cc1[O-] ZINC001601093662 1095504612 /nfs/dbraw/zinc/50/46/12/1095504612.db2.gz WVIAAXAZIIJOIZ-UHFFFAOYSA-N -2 0 342.376 2.834 20 30 EFEDRL N#Cc1ccc([C@H](OC(=O)c2ccc([O-])c(Cl)c2)C(=O)[O-])cc1 ZINC001601099590 1095511731 /nfs/dbraw/zinc/51/17/31/1095511731.db2.gz RKXVBZYQDYWGOO-AWEZNQCLSA-N -2 0 331.711 2.900 20 30 EFEDRL O=C([O-])COc1ccc(C=NNc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001602081601 1096050796 /nfs/dbraw/zinc/05/07/96/1096050796.db2.gz GOEYTFFOSSQXQY-UHFFFAOYSA-N -2 0 348.742 2.948 20 30 EFEDRL C=C(C)COc1cccc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)c1 ZINC001602764938 1096366080 /nfs/dbraw/zinc/36/60/80/1096366080.db2.gz YLKZNIYWZOCEIR-UHFFFAOYSA-N -2 0 348.380 2.536 20 30 EFEDRL C[C@H](Oc1cccc(C=NNc2cccc(F)c2C(=O)[O-])c1)C(=O)[O-] ZINC001604441659 1096856414 /nfs/dbraw/zinc/85/64/14/1096856414.db2.gz QETZGGSMMUHBHL-JTQLQIEISA-N -2 0 346.314 2.822 20 30 EFEDRL CSc1[n-]c(=O)c(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1C#N ZINC001607402766 1097620081 /nfs/dbraw/zinc/62/00/81/1097620081.db2.gz TZALMIZUTXQDSP-UHFFFAOYSA-N -2 0 343.364 2.640 20 30 EFEDRL Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1cncc(C(=O)[O-])c1 ZINC001607498912 1097643797 /nfs/dbraw/zinc/64/37/97/1097643797.db2.gz UJIPEMZIHVIFSK-CQSZACIVSA-N -2 0 347.330 2.775 20 30 EFEDRL Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1cncc(C(=O)[O-])c1 ZINC001607498911 1097643985 /nfs/dbraw/zinc/64/39/85/1097643985.db2.gz UJIPEMZIHVIFSK-AWEZNQCLSA-N -2 0 347.330 2.775 20 30 EFEDRL Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001607564682 1097661810 /nfs/dbraw/zinc/66/18/10/1097661810.db2.gz QEJDIMGGXIXYHP-UHFFFAOYSA-N -2 0 339.351 2.582 20 30 EFEDRL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c1C#N ZINC001607661298 1097692081 /nfs/dbraw/zinc/69/20/81/1097692081.db2.gz RLQDVHFZCPIGMX-UHFFFAOYSA-N -2 0 348.355 2.813 20 30 EFEDRL N#CC(C(=O)[C@H]1C[C@@H](C(=O)[O-])C1)=C([O-])c1cc2c(s1)CCCC2 ZINC001608170656 1097850394 /nfs/dbraw/zinc/85/03/94/1097850394.db2.gz WGIRXDUYOPGMBI-GRYCIOLGSA-N -2 0 331.393 2.629 20 30 EFEDRL N#Cc1cccc([C@@H](OC(=O)c2cc(F)c([O-])c(F)c2)C(=O)[O-])c1 ZINC001610631511 1098796325 /nfs/dbraw/zinc/79/63/25/1098796325.db2.gz DLGXWNOPKLWYBC-CQSZACIVSA-N -2 0 333.246 2.525 20 30 EFEDRL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1)C(=O)[O-] ZINC000184658302 474576675 /nfs/dbraw/zinc/57/66/75/474576675.db2.gz HNRVBSAFJGTWPX-LBPRGKRZSA-N -2 0 344.392 2.622 20 30 EFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])CCCC3)o1 ZINC000340978573 474839938 /nfs/dbraw/zinc/83/99/38/474839938.db2.gz OBQCJRUJNRYLMH-UHFFFAOYSA-N -2 0 346.364 2.529 20 30 EFEDRL N#Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000320775630 474916985 /nfs/dbraw/zinc/91/69/85/474916985.db2.gz 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CCCCCCCCC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001595705253 982283922 /nfs/dbraw/zinc/28/39/22/982283922.db2.gz STSCKHSGXPXMNT-UHFFFAOYSA-N -2 0 345.417 2.842 20 30 EFEDRL Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cc(C(=O)[O-])co1 ZINC001599966184 985909982 /nfs/dbraw/zinc/90/99/82/985909982.db2.gz JHZUTXGKOVRHMX-LBPRGKRZSA-N -2 0 336.303 2.973 20 30 EFEDRL CSc1[n-]c(=O)c(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)cc1C#N ZINC001599804958 988239052 /nfs/dbraw/zinc/23/90/52/988239052.db2.gz QJEIVZYIIYRVMF-UHFFFAOYSA-N -2 0 343.364 2.640 20 30 EFEDRL COc1cc(/C=C2\Cc3cc(O)ccc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000588534990 1092948282 /nfs/dbraw/zinc/94/82/82/1092948282.db2.gz ALRMRAJDYXYLQR-NYYWCZLTSA-N -2 0 327.292 2.837 20 30 EFEDRL N#Cc1cccc([C@@H](OC(=O)c2ccc([O-])c(Cl)c2)C(=O)[O-])c1 ZINC001601117388 1095521341 /nfs/dbraw/zinc/52/13/41/1095521341.db2.gz JVWRTAHCXBGGEX-CQSZACIVSA-N -2 0 331.711 2.900 20 30 EFEDRL O=C([O-])c1cc(C=NNc2ccc(C(=O)[O-])c(F)c2)n2c1CCCC2 ZINC001602382575 1096216671 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EFEDRL N#Cc1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1[O-] ZINC000189126441 474298652 /nfs/dbraw/zinc/29/86/52/474298652.db2.gz GZEKLDPJKYCANP-UHFFFAOYSA-N -2 0 333.687 2.783 20 30 EFEDRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000352439923 475298383 /nfs/dbraw/zinc/29/83/83/475298383.db2.gz YFPBEDZETKURDN-SNVBAGLBSA-N -2 0 334.353 2.530 20 30 EFEDRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000619546531 479824567 /nfs/dbraw/zinc/82/45/67/479824567.db2.gz CMDIKYKSKUXGHB-UHFFFAOYSA-N -2 0 336.394 2.736 20 30 EFEDRL COc1cc(C(=O)[O-])ccc1NN=C(C)c1cc(C(=O)[O-])ccc1O ZINC000756898810 575798599 /nfs/dbraw/zinc/79/85/99/575798599.db2.gz CUXCWWBWYYBMHK-UHFFFAOYSA-N -2 0 344.323 2.633 20 30 EFEDRL COc1cc(/C=C/C(=O)c2cc(F)ccc2[O-])ccc1OCC(=O)[O-] ZINC000757468671 575839789 /nfs/dbraw/zinc/83/97/89/575839789.db2.gz VGGXUMPIKVPUBZ-GORDUTHDSA-N -2 0 346.310 2.899 20 30 EFEDRL COc1cc(/C=C\C(=O)c2cc(F)ccc2[O-])ccc1OCC(=O)[O-] ZINC000757468670 575839862 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ZINC000833741286 605126489 /nfs/dbraw/zinc/12/64/89/605126489.db2.gz GEZJVPLAPQWQDH-UHFFFAOYSA-N -2 0 340.357 2.566 20 30 EFEDRL C[C@H](Oc1cccc(C=NNc2cccc(C(=O)[O-])c2)c1)C(=O)[O-] ZINC000746676386 605592094 /nfs/dbraw/zinc/59/20/94/605592094.db2.gz DVQRZUBUQZDXLC-NSHDSACASA-N -2 0 328.324 2.683 20 30 EFEDRL O=C([O-])COc1cccc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000733206308 1265126280 /nfs/dbraw/zinc/12/62/80/1265126280.db2.gz GKYNOJIVNPTMCS-TWGQIWQCSA-N -2 0 340.331 2.673 20 30 EFEDRL O=C([O-])c1ccc(C(=O)/C=C\c2cccc3c2OCCO3)c([O-])c1 ZINC000806558478 1281095312 /nfs/dbraw/zinc/09/53/12/1281095312.db2.gz DLRMYPCCCQXRBQ-ALCCZGGFSA-N -2 0 326.304 2.758 20 30 EFEDRL O=C([O-])C(F)(F)C(F)(F)C(=O)[N-]C1CCC(C(F)(F)F)CC1 ZINC001180175968 1289428589 /nfs/dbraw/zinc/42/85/89/1289428589.db2.gz GGHDREFWYSWRLR-UHFFFAOYSA-N -2 0 339.207 2.579 20 30 EFEDRL Cc1cc(C#N)c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)s1 ZINC001186142841 1290874619 /nfs/dbraw/zinc/87/46/19/1290874619.db2.gz GFILSDPXPDYZLB-UHFFFAOYSA-N -2 0 340.357 2.566 20 30 EFEDRL N#Cc1cc([N-]S(=O)(=O)Cc2c(F)cccc2F)c([O-])cc1F ZINC001197607616 1294638887 /nfs/dbraw/zinc/63/88/87/1294638887.db2.gz BFVIVWXUXZROMT-UHFFFAOYSA-N -2 0 342.298 2.623 20 30 EFEDRL Cc1nc(C=Cc2ccc(O[C@@H](C)C#N)cc2)[nH]c(=O)c1CC(=O)[O-] ZINC000794713985 1303038119 /nfs/dbraw/zinc/03/81/19/1303038119.db2.gz PYFRBMQZRVBSSI-BWNDKRECSA-N -2 0 339.351 2.579 20 30 EFEDRL N#Cc1ncccc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251389732 1315345364 /nfs/dbraw/zinc/34/53/64/1315345364.db2.gz FEJDONITKWFNIW-UHFFFAOYSA-N -2 0 344.179 2.766 20 30 EFEDRL N#Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(F)cc2F)ccc1O ZINC001260203191 1316323178 /nfs/dbraw/zinc/32/31/78/1316323178.db2.gz BVUVAMOCOKPIQU-UHFFFAOYSA-N -2 0 344.726 2.996 20 30 EFEDRL COc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)c([O-])c1 ZINC000821770509 1429199932 /nfs/dbraw/zinc/19/99/32/1429199932.db2.gz VPDZEZFGPSERPY-HYXAFXHYSA-N -2 0 328.353 2.539 20 30 EFEDRL O=C(C=Cc1cc(F)c([O-])c(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826399674 1426029512 /nfs/dbraw/zinc/02/95/12/1426029512.db2.gz CAJAJOZYGZVGDF-RJRFIUFISA-N -2 0 346.268 2.886 20 30 EFEDRL CC(=NNc1cccc(C(=O)[O-])c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823962608 1426529508 /nfs/dbraw/zinc/52/95/08/1426529508.db2.gz MOYADKMEMVFLIT-UHFFFAOYSA-N -2 0 340.318 2.540 20 30 EFEDRL O=C([O-])c1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1 ZINC000823386984 1446257007 /nfs/dbraw/zinc/25/70/07/1446257007.db2.gz ADVGSLXVRBZHDE-ZROIWOOFSA-N -2 0 346.346 2.777 20 30 EFEDRL CC(=NNc1nnc(C)c(=O)[n-]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000727648582 724290152 /nfs/dbraw/zinc/29/01/52/724290152.db2.gz LBDOLJGZFGFIAI-UHFFFAOYSA-N -2 0 328.159 2.734 20 30 EFEDRL O=C([O-])COc1ccc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)cc1 ZINC000915987365 727646030 /nfs/dbraw/zinc/64/60/30/727646030.db2.gz BTRZLOOYSSCOPT-BJMVGYQFSA-N -2 0 340.331 2.673 20 30 EFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2cccc(CCC(=O)[O-])c2)c(F)c1 ZINC001594626397 956316981 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2.900 20 30 EFEDRL N#Cc1ccc([O-])c(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)c1 ZINC001601108956 1095516478 /nfs/dbraw/zinc/51/64/78/1095516478.db2.gz XLALSTAGPVQIMI-UHFFFAOYSA-N -2 0 335.319 2.555 20 30 EFEDRL Cc1csc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC001607863043 1097758077 /nfs/dbraw/zinc/75/80/77/1097758077.db2.gz JBAYHOOQEADQEL-UHFFFAOYSA-N -2 0 336.394 2.736 20 30 EFEDRL N#CC(=C([O-])c1cc(C(=O)[O-])no1)c1nc(-c2ccccc2)cs1 ZINC001608170503 1097849945 /nfs/dbraw/zinc/84/99/45/1097849945.db2.gz PLWHVVPETBDPSR-SNVBAGLBSA-N -2 0 339.332 2.986 20 30 EFEDRL N#CC(=C([O-])c1cc(C(=O)[O-])no1)c1nc(-c2ccccc2)cs1 ZINC001608170502 1097850066 /nfs/dbraw/zinc/85/00/66/1097850066.db2.gz PLWHVVPETBDPSR-JTQLQIEISA-N -2 0 339.332 2.986 20 30 EFEDRL N#Cc1cc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])ccc1Cl ZINC001608198725 1097859545 /nfs/dbraw/zinc/85/95/45/1097859545.db2.gz YHRBKWOORFIMCE-UHFFFAOYSA-N -2 0 342.785 2.772 20 30 EFEDRL N#Cc1nc(C(=O)[O-])ccc1N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC001608224184 1097870806 /nfs/dbraw/zinc/87/08/06/1097870806.db2.gz RJHAANZZNIZMKD-CYBMUJFWSA-N -2 0 339.351 2.539 20 30 EFEDRL C=CCOc1cccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1 ZINC001609461790 1098336938 /nfs/dbraw/zinc/33/69/38/1098336938.db2.gz OZHFCHGKXHISCN-UHFFFAOYSA-N -2 0 339.394 2.812 20 30 EFEDRL COc1ccc(C(=O)/C=C/c2cc(C(=O)[O-])co2)cc1CC(=O)[O-] ZINC001610311596 1098615016 /nfs/dbraw/zinc/61/50/16/1098615016.db2.gz CXHDOGLYUGQJOQ-ONEGZZNKSA-N -2 0 330.292 2.510 20 30 EFEDRL N#Cc1cccc([C@H](OC(=O)c2cc(F)c([O-])c(F)c2)C(=O)[O-])c1 ZINC001610631509 1098795980 /nfs/dbraw/zinc/79/59/80/1098795980.db2.gz DLGXWNOPKLWYBC-AWEZNQCLSA-N -2 0 333.246 2.525 20 30 EFEDRL O=C([O-])COc1cccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000748147881 1102826435 /nfs/dbraw/zinc/82/64/35/1102826435.db2.gz PWZUTLRUICXACA-ALCCZGGFSA-N -2 0 343.291 2.660 20 30 EFEDRL Cc1cc(S(=O)(=O)[N-]c2cccc(C#N)c2C)sc1C(=O)[O-] ZINC000179025908 239452956 /nfs/dbraw/zinc/45/29/56/239452956.db2.gz WMSOLHMJCSLHGF-UHFFFAOYSA-N -2 0 336.394 2.736 20 30 EFEDRL CC(=Cc1cccc(C(=O)[O-])c1Cl)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435339564 533380133 /nfs/dbraw/zinc/38/01/33/533380133.db2.gz VMKSVNVFGSNSDZ-VURMDHGXSA-N -2 0 329.743 2.862 20 30 EFEDRL C[C@@H](Oc1ccc(/C=C/c2nc(C(=O)[O-])ccc2C#N)cc1)C(=O)[O-] ZINC000349103860 146053171 /nfs/dbraw/zinc/05/31/71/146053171.db2.gz DISIQNYSZDXASO-SOZJPDODSA-N -2 0 338.319 2.674 20 30 EFEDRL Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Cl)cc1O ZINC000153619964 293384884 /nfs/dbraw/zinc/38/48/84/293384884.db2.gz DBWWMUDZSGWMTK-UHFFFAOYSA-N -2 0 345.786 2.794 20 30 EFEDRL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000547871508 318050595 /nfs/dbraw/zinc/05/05/95/318050595.db2.gz LDLHWANHJUFDKE-UHFFFAOYSA-N -2 0 334.328 2.505 20 30 EFEDRL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000548536344 318118391 /nfs/dbraw/zinc/11/83/91/318118391.db2.gz YVSWHTWTSPZNGX-UHFFFAOYSA-N -2 0 348.355 2.813 20 30 EFEDRL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1 ZINC000181773154 474062646 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CC(=NN=c1[n-]c(C(F)(F)F)cs1)c1c(C)nc(=O)[nH]c1[O-] ZINC000755904923 575652466 /nfs/dbraw/zinc/65/24/66/575652466.db2.gz PNCWGYZPZFCCRJ-UHFFFAOYSA-N -2 0 333.295 2.508 20 30 EFEDRL COc1cc(C(=O)[O-])ccc1N=NC(C)c1ccc(CC(=O)[O-])cc1 ZINC000756899039 575798597 /nfs/dbraw/zinc/79/85/97/575798597.db2.gz MSNBMSGURRQLDL-UHFFFAOYSA-N -2 0 342.351 2.857 20 30 EFEDRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(C#N)c2C)c1F ZINC000769833007 577388389 /nfs/dbraw/zinc/38/83/89/577388389.db2.gz GCSPCQSFIMHGDB-UHFFFAOYSA-N -2 0 348.355 2.813 20 30 EFEDRL N#Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)ccc1Cl ZINC000833071062 602117952 /nfs/dbraw/zinc/11/79/52/602117952.db2.gz VOMPETHYFGFDPB-UHFFFAOYSA-N -2 0 342.785 2.772 20 30 EFEDRL Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000179025790 604399047 /nfs/dbraw/zinc/39/90/47/604399047.db2.gz YVIPTNQJNHDHLW-UHFFFAOYSA-N -2 0 334.328 2.505 20 30 EFEDRL O=C([O-])COc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000200165513 604629099 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EFEDRL N#Cc1ccc(F)c(-c2noc(-c3cc([N+](=O)[O-])c([O-])cc3[O-])n2)c1 ZINC001216749754 1315002980 /nfs/dbraw/zinc/00/29/80/1315002980.db2.gz XBNBUTPTTBYVCB-UHFFFAOYSA-N -2 0 342.242 2.734 20 30 EFEDRL C=CCC[C@@H](NS(=O)(=O)c1cc(Cl)sc1Cl)C(=O)[O-] ZINC000316576764 1315468190 /nfs/dbraw/zinc/46/81/90/1315468190.db2.gz GYIWZWGHDVSLTM-ZCFIWIBFSA-N -2 0 344.241 2.753 20 30 EFEDRL N#Cc1cccc(Cl)c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260189510 1316321365 /nfs/dbraw/zinc/32/13/65/1316321365.db2.gz GZNMUVKLHQCVLF-UHFFFAOYSA-N -2 0 336.756 2.711 20 30 EFEDRL O=C([O-])c1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000823387465 1427970167 /nfs/dbraw/zinc/97/01/67/1427970167.db2.gz KYAVCLGYHJPEMX-ARJAWSKDSA-N -2 0 344.327 2.662 20 30 EFEDRL O=C([O-])c1cc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000737797494 1428011666 /nfs/dbraw/zinc/01/16/66/1428011666.db2.gz IZFXGSHXNKAUFH-SNAWJCMRSA-N -2 0 326.337 2.523 20 30 EFEDRL O=C([O-])c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000826461980 1441744846 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2.660 20 30 EFEDRL O=C([O-])COc1ccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)cc1 ZINC000199547940 959634484 /nfs/dbraw/zinc/63/44/84/959634484.db2.gz BLPZTWKLVIIQHM-WTKPLQERSA-N -2 0 326.304 2.744 20 30 EFEDRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1ccc(CC#N)cc1 ZINC000318323524 970425290 /nfs/dbraw/zinc/42/52/90/970425290.db2.gz QGHAXRXSILTGNN-UHFFFAOYSA-N -2 0 336.394 2.622 20 30 EFEDRL CC[C@H](Sc1nc(-c2ccc(OC)cc2)c(C#N)c(=O)[n-]1)C(=O)[O-] ZINC001609938628 970611082 /nfs/dbraw/zinc/61/10/82/970611082.db2.gz GLFWUOCVDKZPNO-LBPRGKRZSA-N -2 0 345.380 2.685 20 30 EFEDRL O=C([O-])COc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000730588629 978296786 /nfs/dbraw/zinc/29/67/86/978296786.db2.gz BHMGIKXBFPKLOC-UTCJRWHESA-N -2 0 332.333 2.806 20 30 EFEDRL Cc1cccc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)c1C#N ZINC001600550603 1095156617 /nfs/dbraw/zinc/15/66/17/1095156617.db2.gz XBCMMFLJRBPUBQ-UHFFFAOYSA-N -2 0 344.392 2.685 20 30 EFEDRL N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cc(C(=O)[O-])co1 ZINC001601046768 1095477769 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476991978 /nfs/dbraw/zinc/99/19/78/476991978.db2.gz SYVWHWNUKVJPGS-UHFFFAOYSA-N -2 0 334.328 2.505 20 30 EFEDRL Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)c1C#N ZINC000137448744 524805465 /nfs/dbraw/zinc/80/54/65/524805465.db2.gz AZLOIENJXXJRKI-UHFFFAOYSA-N -2 0 330.365 2.674 20 30 EFEDRL COc1cc(/C=C/C(=O)c2cc(O)ccc2[O-])cc([N+](=O)[O-])c1[O-] ZINC000757467965 575839875 /nfs/dbraw/zinc/83/98/75/575839875.db2.gz PLMXERQURFISPV-DUXPYHPUSA-N -2 0 331.280 2.616 20 30 EFEDRL COC(=O)c1ccc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC000757473111 575840138 /nfs/dbraw/zinc/84/01/38/575840138.db2.gz MWKLILOHOHRQMQ-XBXARRHUSA-N -2 0 326.304 2.773 20 30 EFEDRL Cc1nn(C)c2ncc(/C=C/C(=O)c3cc(C(=O)[O-])ccc3[O-])cc12 ZINC000757471861 575840238 /nfs/dbraw/zinc/84/02/38/575840238.db2.gz FTAFBOYYSZNBKR-HWKANZROSA-N -2 0 337.335 2.577 20 30 EFEDRL C[C@H](Oc1cccc(/C=C\C(=O)c2ccc(O)cc2[O-])c1)C(=O)[O-] ZINC000757473413 575840300 /nfs/dbraw/zinc/84/03/00/575840300.db2.gz XCZLCYVFLQDWJS-OFSNVTPPSA-N -2 0 328.320 2.846 20 30 EFEDRL COc1cc(/C=C/C(=O)c2ccccc2[O-])ccc1OCC(=O)[O-] ZINC000757476101 575840355 /nfs/dbraw/zinc/84/03/55/575840355.db2.gz VHLCBVCSUIEBCS-SOFGYWHQSA-N -2 0 328.320 2.760 20 30 EFEDRL O=C([O-])c1ccc([O-])c(C(=O)/C=C/c2nccn2CC(F)(F)F)c1 ZINC000757474259 575840392 /nfs/dbraw/zinc/84/03/92/575840392.db2.gz RAWXAFMVNOJDIK-ONEGZZNKSA-N -2 0 340.257 2.745 20 30 EFEDRL COc1cc(/C=C\C(=O)c2ccc(F)cc2[O-])ccc1OCC(=O)[O-] ZINC000757475231 575840429 /nfs/dbraw/zinc/84/04/29/575840429.db2.gz IAAJMFHUCLOBTG-KXFIGUGUSA-N -2 0 346.310 2.899 20 30 EFEDRL COc1cc2c(cc1/C=C/C(=O)c1cc(C(=O)[O-])ccc1[O-])OCO2 ZINC000758930400 575880523 /nfs/dbraw/zinc/88/05/23/575880523.db2.gz IHGNPYSETIULII-DUXPYHPUSA-N -2 0 342.303 2.724 20 30 EFEDRL CCCCCCNC(=O)C(C#N)=C([O-])c1cccc(NC(=O)[O-])c1 ZINC000736982822 600056128 /nfs/dbraw/zinc/05/61/28/600056128.db2.gz CNMWOFZAAUPHHI-AWEZNQCLSA-N -2 0 331.372 2.795 20 30 EFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)[O-])c2)c(F)c1 ZINC000739132429 600543332 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1316374762 /nfs/dbraw/zinc/37/47/62/1316374762.db2.gz AXGXNMMSIIVJFT-UHFFFAOYSA-N -2 0 343.191 2.876 20 30 EFEDRL N#Cc1cc(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)c([O-])cc1F ZINC001213194661 1314520179 /nfs/dbraw/zinc/52/01/79/1314520179.db2.gz SFVYFYZHAGERHZ-UHFFFAOYSA-N -2 0 343.314 2.950 20 30 EFEDRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c1F ZINC000749144029 1315118390 /nfs/dbraw/zinc/11/83/90/1315118390.db2.gz UNQUOQAKIOUPOV-UHFFFAOYSA-N -2 0 348.355 2.699 20 30 EFEDRL Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccc(O)c(C#N)c1 ZINC001260134845 1316318218 /nfs/dbraw/zinc/31/82/18/1316318218.db2.gz ITDMNUFAGYTNID-UHFFFAOYSA-N -2 0 339.376 2.921 20 30 EFEDRL N#Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260228015 1316324652 /nfs/dbraw/zinc/32/46/52/1316324652.db2.gz SHWZOVVYBIUXLX-UHFFFAOYSA-N -2 0 336.756 2.711 20 30 EFEDRL N#Cc1nc(NC(=O)c2cc(Oc3ccccc3)ccc2O)[n-]c1C#N ZINC001469559805 1397038080 /nfs/dbraw/zinc/03/80/80/1397038080.db2.gz CBGUNIGAMARKQX-UHFFFAOYSA-N -2 0 345.318 2.903 20 30 EFEDRL O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cc(F)cc(F)c1[O-] ZINC000826400698 1423455222 /nfs/dbraw/zinc/45/52/22/1423455222.db2.gz FMCJWUVBIFBVOA-DUXPYHPUSA-N -2 0 346.268 2.886 20 30 EFEDRL O=C(C=Cc1ccccc1-c1nn[n-]n1)c1cc(F)cc(F)c1[O-] ZINC000826402122 1443080349 /nfs/dbraw/zinc/08/03/49/1443080349.db2.gz NLFDAGHCZZSELS-AATRIKPKSA-N -2 0 328.278 2.747 20 30 EFEDRL O=C([O-])c1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)s1 ZINC000823387553 1443582233 /nfs/dbraw/zinc/58/22/33/1443582233.db2.gz OOONJSBEUUTMGY-HNQUOIGGSA-N -2 0 332.366 2.584 20 30 EFEDRL COc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c([O-])c1 ZINC000826187211 1446698015 /nfs/dbraw/zinc/69/80/15/1446698015.db2.gz GDZPLHSERJMMIX-CLTKARDFSA-N -2 0 340.314 2.616 20 30 EFEDRL O=C([O-])c1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000738213824 1449243108 /nfs/dbraw/zinc/24/31/08/1449243108.db2.gz HWWZUGXPICHAEE-UTCJRWHESA-N -2 0 326.337 2.523 20 30 EFEDRL CSc1[n-]c(=O)c(C(=O)Nc2c(C)cccc2C(=O)[O-])cc1C#N ZINC001594188852 959146344 /nfs/dbraw/zinc/14/63/44/959146344.db2.gz IEMZAHGEETVIQX-UHFFFAOYSA-N -2 0 343.364 2.640 20 30 EFEDRL C=CCCC[C@@H](NC(=O)c1cccc(Br)c1[O-])C(=O)[O-] ZINC001573364817 963050687 /nfs/dbraw/zinc/05/06/87/963050687.db2.gz BVEDUDVRTXMFIN-LLVKDONJSA-N -2 0 342.189 2.694 20 30 EFEDRL C=CCCC[C@H](NC(=O)c1cccc(C(F)(F)F)c1[O-])C(=O)[O-] ZINC001573365763 963054826 /nfs/dbraw/zinc/05/48/26/963054826.db2.gz HZGTUEVCKHYOSA-NSHDSACASA-N -2 0 331.290 2.950 20 30 EFEDRL C=CCCc1ccccc1[N-]S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001588817616 984276436 /nfs/dbraw/zinc/27/64/36/984276436.db2.gz PVJCLAAPWBPNTR-UHFFFAOYSA-N -2 0 332.381 2.699 20 30 EFEDRL Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001599966093 985908685 /nfs/dbraw/zinc/90/86/85/985908685.db2.gz GKRJFYQTYOZOMU-GFCCVEGCSA-N -2 0 335.319 2.708 20 30 EFEDRL Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001599966094 985908974 /nfs/dbraw/zinc/90/89/74/985908974.db2.gz GKRJFYQTYOZOMU-LBPRGKRZSA-N -2 0 335.319 2.708 20 30 EFEDRL Cc1sc(C)c(C(=O)[O-])c1NC(=O)c1[n-]c(=O)c(C#N)cc1C ZINC001600073542 1094754292 /nfs/dbraw/zinc/75/42/92/1094754292.db2.gz RLJSUNFNQAXXGQ-UHFFFAOYSA-N -2 0 331.353 2.596 20 30 EFEDRL Cc1ccc(NN=Cc2cccc(O[C@H](C)C(=O)[O-])c2)cc1C(=O)[O-] ZINC001600462535 1095085699 /nfs/dbraw/zinc/08/56/99/1095085699.db2.gz BSNTYNDREGECKQ-GFCCVEGCSA-N -2 0 342.351 2.991 20 30 EFEDRL Cc1ccc(NN=Cc2cccc(O[C@@H](C)C(=O)[O-])c2)cc1C(=O)[O-] ZINC001600462536 1095086952 /nfs/dbraw/zinc/08/69/52/1095086952.db2.gz BSNTYNDREGECKQ-LBPRGKRZSA-N -2 0 342.351 2.991 20 30 EFEDRL Cc1oc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)cc1C(=O)[O-] ZINC001600855898 1095385642 /nfs/dbraw/zinc/38/56/42/1095385642.db2.gz CCOGQJBKVNNHSG-UHFFFAOYSA-N -2 0 340.744 2.612 20 30 EFEDRL O=C([O-])[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1cccc(C(F)(F)F)c1 ZINC001601665296 1095794362 /nfs/dbraw/zinc/79/43/62/1095794362.db2.gz YCGFAIFXPHYYAB-ZETCQYMHSA-N -2 0 347.186 2.848 20 30 EFEDRL O=C([O-])COc1ccccc1C=NNc1ccc(C(=O)[O-])c(Cl)c1 ZINC001602095729 1096061024 /nfs/dbraw/zinc/06/10/24/1096061024.db2.gz MRBBJYBPINQWPG-UHFFFAOYSA-N -2 0 348.742 2.948 20 30 EFEDRL C=C(C)c1cccc(NC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])c1 ZINC001602772046 1096368128 /nfs/dbraw/zinc/36/81/28/1096368128.db2.gz HUEKAFIQWJVONL-JSGCOSHPSA-N -2 0 332.356 2.501 20 30 EFEDRL Cc1cc(C=NNc2cccc(C(=O)[O-])c2)cc(C)c1OCC(=O)[O-] ZINC001607634053 1097684478 /nfs/dbraw/zinc/68/44/78/1097684478.db2.gz XEFWRNDRPUYRAI-UHFFFAOYSA-N -2 0 342.351 2.911 20 30 EFEDRL Cc1cccc(S(=O)(=O)[N-]c2cccc(CCC(=O)[O-])c2)c1C#N ZINC001607862845 1097758239 /nfs/dbraw/zinc/75/82/39/1097758239.db2.gz CLEGSNXGOKFJLC-UHFFFAOYSA-N -2 0 344.392 2.685 20 30 EFEDRL N#Cc1ccc([C@@H](OC(=O)c2cc(F)c([O-])c(F)c2)C(=O)[O-])cc1 ZINC001608203278 1097860561 /nfs/dbraw/zinc/86/05/61/1097860561.db2.gz DSWQFHSKMGQVMS-CQSZACIVSA-N -2 0 333.246 2.525 20 30 EFEDRL COC(=O)c1cc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc(C(=O)[O-])c1 ZINC001610199520 1098568103 /nfs/dbraw/zinc/56/81/03/1098568103.db2.gz HVZYNKBFEQGHLO-UHFFFAOYSA-N -2 0 344.279 2.536 20 30 EFEDRL Cc1ccc(NN=Cc2[nH]nc3cc(C(=O)[O-])ccc23)cc1C(=O)[O-] ZINC001610509444 1098721944 /nfs/dbraw/zinc/72/19/44/1098721944.db2.gz JAIUHUVGGXVEDQ-UHFFFAOYSA-N -2 0 338.323 2.714 20 30 EFEDRL O=C([O-])COc1ccc(C(=O)/C=C\c2cc(C(=O)[O-])cs2)cc1 ZINC001610785280 1098884829 /nfs/dbraw/zinc/88/48/29/1098884829.db2.gz XJXIAHJIRYZXQJ-WAYWQWQTSA-N -2 0 332.333 2.806 20 30 EFEDRL C[C@@H](Oc1cccc(/C=C\c2nc(C(=O)[O-])ccc2C#N)c1)C(=O)[O-] ZINC000349891649 296208779 /nfs/dbraw/zinc/20/87/79/296208779.db2.gz HEOQESMYULCICM-JPVGGKMYSA-N -2 0 338.319 2.674 20 30 EFEDRL CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)c(C(=O)[O-])c1 ZINC000489366022 266876645 /nfs/dbraw/zinc/87/66/45/266876645.db2.gz ZYNZKVCLXNATGP-UHFFFAOYSA-N -2 0 348.380 2.948 20 30 EFEDRL CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000340813460 474685534 /nfs/dbraw/zinc/68/55/34/474685534.db2.gz HQKGPLYLKVHFIE-UHFFFAOYSA-N -2 0 334.353 2.774 20 30 EFEDRL Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c1C#N ZINC000361995369 475923859 /nfs/dbraw/zinc/92/38/59/475923859.db2.gz FZPRCCVGNHKSCN-UHFFFAOYSA-N -2 0 334.328 2.505 20 30 EFEDRL N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000588767302 479440085 /nfs/dbraw/zinc/44/00/85/479440085.db2.gz CJLFQZWARDKKHY-UHFFFAOYSA-N -2 0 336.273 2.557 20 30 EFEDRL Cc1c([N-]S(=O)(=O)c2ccc(C#N)cc2F)cccc1C(=O)[O-] ZINC000610058327 480233055 /nfs/dbraw/zinc/23/30/55/480233055.db2.gz CGNQDLKCXGMVIV-UHFFFAOYSA-N -2 0 334.328 2.505 20 30 EFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])s1 ZINC000230322539 526683969 /nfs/dbraw/zinc/68/39/69/526683969.db2.gz BUWAIOGTYXGZIG-UHFFFAOYSA-N -2 0 342.785 2.772 20 30 EFEDRL COc1cc(/C=C/C(=O)c2ccc(O)cc2[O-])cc([N+](=O)[O-])c1[O-] ZINC000757468913 575839998 /nfs/dbraw/zinc/83/99/98/575839998.db2.gz ZMXWKFMSKNYPED-GORDUTHDSA-N -2 0 331.280 2.616 20 30 EFEDRL Cc1cc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2[O-])ccc1-n1cncn1 ZINC000757475150 575840293 /nfs/dbraw/zinc/84/02/93/575840293.db2.gz YJKJREWHWQLUQB-UTCJRWHESA-N -2 0 349.346 2.876 20 30 EFEDRL O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000759088546 575884347 /nfs/dbraw/zinc/88/43/47/575884347.db2.gz BIAZAHKHNWYPQO-DAFODLJHSA-N -2 0 330.252 2.810 20 30 EFEDRL CCC(N=Nc1ccc(C(=O)[O-])cn1)c1cc(C(=O)[O-])ccc1F ZINC000763371877 576374666 /nfs/dbraw/zinc/37/46/66/576374666.db2.gz LBRRWZWKLDBTSA-UHFFFAOYSA-N -2 0 331.303 2.843 20 30 EFEDRL COc1cc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2[O-])ccc1[N+](=O)[O-] ZINC000770572145 581111623 /nfs/dbraw/zinc/11/16/23/581111623.db2.gz MHMZNSOZPIJRRV-UTCJRWHESA-N -2 0 343.291 2.903 20 30 EFEDRL C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000736094634 599739489 /nfs/dbraw/zinc/73/94/89/599739489.db2.gz PRXUXOVWPCWDJD-UHFFFAOYSA-N -2 0 337.353 2.734 20 30 EFEDRL O=C([O-])CCCOc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])[nH]2)cc1 ZINC000833227342 601331069 /nfs/dbraw/zinc/33/10/69/601331069.db2.gz FJMLRRYCERZCRS-POHAHGRESA-N -2 0 343.335 2.853 20 30 EFEDRL Cc1oc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)cc1C(=O)[O-] ZINC000833027908 601492577 /nfs/dbraw/zinc/49/25/77/601492577.db2.gz ZWSZPKIPCZHAME-UHFFFAOYSA-N -2 0 340.744 2.612 20 30 EFEDRL Cc1cc(C(=O)Nc2cc(C#N)ccc2[O-])cc(C)c1OCC(=O)[O-] ZINC000832864739 601758961 /nfs/dbraw/zinc/75/89/61/601758961.db2.gz DXCRHSTWMTVOCK-UHFFFAOYSA-N -2 0 340.335 2.596 20 30 EFEDRL C[C@@H](Oc1ccc(C=NNc2cccc(C(=O)[O-])c2)cc1)C(=O)[O-] ZINC000794854927 602065562 /nfs/dbraw/zinc/06/55/62/602065562.db2.gz LJLXOEDRJAICLH-LLVKDONJSA-N -2 0 328.324 2.683 20 30 EFEDRL O=C([O-])COc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000060078853 604628917 /nfs/dbraw/zinc/62/89/17/604628917.db2.gz UDDLLGLQYKHDLW-XCVCLJGOSA-N -2 0 326.304 2.744 20 30 EFEDRL Cc1sc([N-]S(=O)(=O)c2cccc(C#N)c2)c(C(=O)[O-])c1C ZINC000833758096 605022643 /nfs/dbraw/zinc/02/26/43/605022643.db2.gz MIYGMUATRDGBEH-UHFFFAOYSA-N -2 0 336.394 2.736 20 30 EFEDRL O=C([O-])CCOc1cccc(C=NNc2cccc(C(=O)[O-])c2)c1 ZINC000746677103 605591586 /nfs/dbraw/zinc/59/15/86/605591586.db2.gz PYRILTUMRGNLIP-UHFFFAOYSA-N -2 0 328.324 2.684 20 30 EFEDRL CCOC(=O)c1scnc1/C=C/C(=O)c1ccc(C(=O)[O-])cc1[O-] ZINC000806559552 1281095830 /nfs/dbraw/zinc/09/58/30/1281095830.db2.gz CHLDMXZFBBEGMR-AATRIKPKSA-N -2 0 347.348 2.620 20 30 EFEDRL O=C([O-])c1ccc(C(=O)/C=C\c2ccc([O-])c([N+](=O)[O-])c2)c([O-])c1 ZINC000806558938 1281095950 /nfs/dbraw/zinc/09/59/50/1281095950.db2.gz PVOYUOLXTLASBQ-KTAJNNJTSA-N -3 0 329.264 2.600 20 30 EFEDRL C[C@@H](C#N)c1ccc(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])cc1 ZINC001148926678 1281825691 /nfs/dbraw/zinc/82/56/91/1281825691.db2.gz RJTQUTLLSGCDMO-JTQLQIEISA-N -2 0 346.364 2.518 20 30 EFEDRL CC(C)(C)c1noc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1C#N ZINC001176240442 1287911330 /nfs/dbraw/zinc/91/13/30/1287911330.db2.gz XITMUXFRLCGAPQ-UHFFFAOYSA-N -2 0 329.312 2.984 20 30 EFEDRL Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2C#N)cc1C(=O)[O-] ZINC001184695883 1290494360 /nfs/dbraw/zinc/49/43/60/1290494360.db2.gz LSMCSJIBWDNNPS-UHFFFAOYSA-N -2 0 334.328 2.505 20 30 EFEDRL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2scc([O-])c2C#N)c1 ZINC001191153126 1292481072 /nfs/dbraw/zinc/48/10/72/1292481072.db2.gz HAQFETLCYLMVDO-UHFFFAOYSA-N -2 0 345.405 2.983 20 30 EFEDRL Cc1ccc(C)c([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1C#N ZINC001198790323 1295231875 /nfs/dbraw/zinc/23/18/75/1295231875.db2.gz RSYVPCNDURJUGI-UHFFFAOYSA-N -2 0 330.365 2.674 20 30 EFEDRL CCc1nnc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(C#N)c1CC ZINC001242160011 1314186299 /nfs/dbraw/zinc/18/62/99/1314186299.db2.gz BJEOULXZPMOPQJ-UHFFFAOYSA-N -2 0 325.324 2.536 20 30 EFEDRL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1scc([O-])c1C#N ZINC001258932337 1316193623 /nfs/dbraw/zinc/19/36/23/1316193623.db2.gz SRLAHNBTFJFHRU-UHFFFAOYSA-N -2 0 344.801 2.788 20 30 EFEDRL N#Cc1cc([N-]S(=O)(=O)Cc2ccc(Cl)cc2)c([O-])cc1F ZINC001259242083 1316222216 /nfs/dbraw/zinc/22/22/16/1316222216.db2.gz LYEXAWWAJBQPBG-UHFFFAOYSA-N -2 0 340.763 2.998 20 30 EFEDRL N#Cc1c([O-])csc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC001259391957 1316236852 /nfs/dbraw/zinc/23/68/52/1316236852.db2.gz MHYRNKVENCEOCG-UHFFFAOYSA-N -2 0 337.407 2.736 20 30 EFEDRL Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1scc([O-])c1C#N ZINC001260129967 1316317611 /nfs/dbraw/zinc/31/76/11/1316317611.db2.gz XRINGSZADMPQQS-UHFFFAOYSA-N -2 0 345.405 2.983 20 30 EFEDRL COc1ccc(S(=O)(=O)[N-]c2scc([O-])c2C#N)cc1Cl ZINC001260968467 1316379137 /nfs/dbraw/zinc/37/91/37/1316379137.db2.gz XVRFEKWERAPTBW-UHFFFAOYSA-N -2 0 344.801 2.788 20 30 EFEDRL O=C1c2ccc(O)cc2CCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823504735 1428989269 /nfs/dbraw/zinc/98/92/69/1428989269.db2.gz TWNSULDSHBDWQK-KPKJPENVSA-N -2 0 336.326 2.924 20 30 EFEDRL C[C@H](N=Cc1cc([N+](=O)[O-])ccc1[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820307518 1429504638 /nfs/dbraw/zinc/50/46/38/1429504638.db2.gz MYIGMBDZTAVAMN-HLGUWXJESA-N -2 0 338.327 2.661 20 30 EFEDRL COc1ccc(C=CC(=O)c2cc(F)ccc2[O-])cc1-c1nn[n-]n1 ZINC000821786250 1424580732 /nfs/dbraw/zinc/58/07/32/1424580732.db2.gz CCEUHNBXEOOFCM-DJWKRKHSSA-N -2 0 340.314 2.616 20 30 EFEDRL O=C([O-])c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826461814 1425361162 /nfs/dbraw/zinc/36/11/62/1425361162.db2.gz HHBXWZUSXVNNLW-BAQGIRSFSA-N -2 0 338.298 2.600 20 30 EFEDRL O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1cc(F)cc(F)c1[O-] ZINC000822921925 1441498743 /nfs/dbraw/zinc/49/87/43/1441498743.db2.gz AKDMJQROSWNXPT-ZZXKWVIFSA-N -2 0 328.278 2.747 20 30 EFEDRL COc1ccc(C=CC(=O)c2cc(F)ccc2[O-])cc1-c1nn[n-]n1 ZINC000821786253 1446092509 /nfs/dbraw/zinc/09/25/09/1446092509.db2.gz CCEUHNBXEOOFCM-GORDUTHDSA-N -2 0 340.314 2.616 20 30 EFEDRL C[C@@H](N=Cc1cc([N+](=O)[O-])ccc1[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820307519 1446321054 /nfs/dbraw/zinc/32/10/54/1446321054.db2.gz MYIGMBDZTAVAMN-IYPWXLATSA-N -2 0 338.327 2.661 20 30 EFEDRL O=C([O-])c1cc(NN=Cc2ccc(-c3nn[n-]n3)s2)ccc1Cl ZINC000823387623 1446535935 /nfs/dbraw/zinc/53/59/35/1446535935.db2.gz QYKRAJXFBQWJCB-UHFFFAOYSA-N -2 0 348.775 2.726 20 30 EFEDRL O=C([O-])c1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cs1 ZINC000822927835 1449058300 /nfs/dbraw/zinc/05/83/00/1449058300.db2.gz BKJHJHKDJFCXJL-HNQUOIGGSA-N -2 0 332.366 2.584 20 30 EFEDRL O=C([O-])c1cc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cs1 ZINC000822922258 1450063146 /nfs/dbraw/zinc/06/31/46/1450063146.db2.gz DZJOIPJKZPYSDZ-OWOJBTEDSA-N -2 0 332.366 2.584 20 30 EFEDRL O=C([O-])CCOc1ccc(C=NNc2ccccc2C(=O)[O-])cc1 ZINC000915955343 727642529 /nfs/dbraw/zinc/64/25/29/727642529.db2.gz DAIIKTMKYAIMSN-UHFFFAOYSA-N -2 0 328.324 2.684 20 30 EFEDRL N#CC(=C([O-])c1ccc(OCC(=O)[O-])cc1)c1nc2ccccc2o1 ZINC001601047768 970923314 /nfs/dbraw/zinc/92/33/14/970923314.db2.gz XRBCENQBYUOORT-ZDUSSCGKSA-N -2 0 336.303 2.781 20 30 EFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])cc1Cl ZINC000126033310 958578385 /nfs/dbraw/zinc/57/83/85/958578385.db2.gz MTHUPFRZTKOKOE-UHFFFAOYSA-N -2 0 342.785 2.772 20 30 EFEDRL COc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)cc1CC(=O)[O-] ZINC000207707202 959664944 /nfs/dbraw/zinc/66/49/44/959664944.db2.gz BNCHOILUISBUBP-YWEYNIOJSA-N -2 0 340.331 2.917 20 30 EFEDRL CC[C@@H](Sc1nc(-c2ccc(OC)cc2)c(C#N)c(=O)[n-]1)C(=O)[O-] ZINC001609938625 970611467 /nfs/dbraw/zinc/61/14/67/970611467.db2.gz GLFWUOCVDKZPNO-GFCCVEGCSA-N -2 0 345.380 2.685 20 30 EFEDRL O=C([O-])Cn1cc(CN=Nc2ccccc2C(=O)[O-])c2ccccc21 ZINC000799872680 978842776 /nfs/dbraw/zinc/84/27/76/978842776.db2.gz BYKAGASVXDCZGA-UHFFFAOYSA-N -2 0 337.335 2.870 20 30 EFEDRL CSc1[n-]c(=O)c(C(=O)Nc2scc(C(=O)[O-])c2C)cc1C#N ZINC001599804857 988238218 /nfs/dbraw/zinc/23/82/18/988238218.db2.gz PNYQTQAJCWDUSN-UHFFFAOYSA-N -2 0 349.393 2.701 20 30 EFEDRL CSc1[n-]c(=O)c(C(=O)Nc2cc(C(=O)[O-])sc2C)cc1C#N ZINC001599805461 988248293 /nfs/dbraw/zinc/24/82/93/988248293.db2.gz WSQMZCPHGFGHLZ-UHFFFAOYSA-N -2 0 349.393 2.701 20 30 EFEDRL C[C@@H](Oc1cccc(C(=O)/C=C/c2ccc(C(=O)[O-])o2)c1)C(=O)[O-] ZINC001593635000 995929724 /nfs/dbraw/zinc/92/97/24/995929724.db2.gz JBUHQGDGTAJGHN-BREXMAIKSA-N -2 0 330.292 2.726 20 30 EFEDRL Cc1oc(C)c(S(=O)(=O)[N-]c2cccc(C#N)c2C)c1C(=O)[O-] ZINC001600838143 1095370559 /nfs/dbraw/zinc/37/05/59/1095370559.db2.gz FRSHUGCDEQRAME-UHFFFAOYSA-N -2 0 334.353 2.576 20 30 EFEDRL Cc1oc(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)cc1C(=O)[O-] ZINC001600856089 1095385728 /nfs/dbraw/zinc/38/57/28/1095385728.db2.gz OAGMWKQKYRYSLP-UHFFFAOYSA-N -2 0 340.744 2.612 20 30 EFEDRL C=C(C)c1cccc(NC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])c1 ZINC001602772048 1096367447 /nfs/dbraw/zinc/36/74/47/1096367447.db2.gz HUEKAFIQWJVONL-TZMCWYRMSA-N -2 0 332.356 2.501 20 30 EFEDRL CSc1ccc(NC(=O)c2[n-]c(=O)c(C#N)cc2C)cc1C(=O)[O-] ZINC001607406534 1097620984 /nfs/dbraw/zinc/62/09/84/1097620984.db2.gz BURWOEHOBSZAKD-UHFFFAOYSA-N -2 0 343.364 2.640 20 30 EFEDRL O=C([O-])CCOc1ccc(/C=C/C(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001608730911 1098002534 /nfs/dbraw/zinc/00/25/34/1098002534.db2.gz INQLCZNZPFBAFS-ZZXKWVIFSA-N -2 0 330.292 2.727 20 30 EFEDRL COc1cc(/C=C/C(=O)c2cc(C(=O)[O-])cs2)cc([N+](=O)[O-])c1[O-] ZINC001610293629 1098605459 /nfs/dbraw/zinc/60/54/59/1098605459.db2.gz IIMUEGYFJVQXMP-NSCUHMNNSA-N -2 0 349.320 2.965 20 30 EFEDRL N#Cc1nc(NC(=O)c2cc(Cl)c3ccccc3c2[O-])[n-]c1C#N ZINC001631396044 1100393931 /nfs/dbraw/zinc/39/39/31/1100393931.db2.gz RPIUMKYEWOSXMK-UHFFFAOYSA-N -2 0 337.726 2.918 20 30 EFEDRL CC(=Cc1cccc(C(=O)[O-])c1Cl)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000193611942 533405009 /nfs/dbraw/zinc/40/50/09/533405009.db2.gz VMKSVNVFGSNSDZ-SOFGYWHQSA-N -2 0 329.743 2.862 20 30 EFEDRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000013278922 471824780 /nfs/dbraw/zinc/82/47/80/471824780.db2.gz ACBXQKOOFIAGGO-UHFFFAOYSA-N -2 0 348.405 2.779 20 30 EFEDRL N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(CCCC(=O)[O-])cc1 ZINC000134621689 472940950 /nfs/dbraw/zinc/94/09/50/472940950.db2.gz NJCMQOVXRIWNSW-UHFFFAOYSA-N -2 0 344.392 2.766 20 30 EFEDRL C=CCOc1cccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[nH]2)c1 ZINC000349107413 475904801 /nfs/dbraw/zinc/90/48/01/475904801.db2.gz JTENSNQVFCAHNN-FPLPWBNLSA-N -2 0 326.352 2.853 20 30 EFEDRL CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(C)cc1SCCC(=O)[O-] ZINC000416955990 477386142 /nfs/dbraw/zinc/38/61/42/477386142.db2.gz MUPHPVLXYMBSHS-LLVKDONJSA-N -2 0 342.442 2.606 20 30 EFEDRL Cc1cc(C)c([N-]S(=O)(=O)c2cccc(C)c2C#N)c(C(=O)[O-])c1 ZINC000484560943 478029593 /nfs/dbraw/zinc/02/95/93/478029593.db2.gz ZJWROMYYYQCNOY-UHFFFAOYSA-N -2 0 344.392 2.983 20 30 EFEDRL N#Cc1cc([O-])cc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000614374030 480287393 /nfs/dbraw/zinc/28/73/93/480287393.db2.gz UJPCUMRMKILNJK-UHFFFAOYSA-N -2 0 333.687 2.783 20 30 EFEDRL N#Cc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)ccc1Cl ZINC000070156552 526574240 /nfs/dbraw/zinc/57/42/40/526574240.db2.gz RBRWBWWURQSREE-UHFFFAOYSA-N -2 0 342.785 2.772 20 30 EFEDRL N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c1 ZINC000177990453 526634373 /nfs/dbraw/zinc/63/43/73/526634373.db2.gz AALSSBMCBHATOF-UHFFFAOYSA-N -2 0 336.756 2.711 20 30 EFEDRL O=C([O-])c1ccc([O-])c(C(=O)/C=C\c2ccccc2-n2cncn2)c1 ZINC000757473809 575840423 /nfs/dbraw/zinc/84/04/23/575840423.db2.gz PWYBOGZFVCJYPQ-ALCCZGGFSA-N -2 0 335.319 2.567 20 30 EFEDRL O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000759090792 575884402 /nfs/dbraw/zinc/88/44/02/575884402.db2.gz MLZMFUQUWCHXKC-GORDUTHDSA-N -2 0 330.252 2.810 20 30 EFEDRL Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCSCC(=O)[O-] ZINC000738246445 577356707 /nfs/dbraw/zinc/35/67/07/577356707.db2.gz GVPCINQJEKPPON-GFCCVEGCSA-N -2 0 344.392 2.576 20 30 EFEDRL O=C([O-])COc1cccc(C(=O)/C=C\c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000772795984 581369470 /nfs/dbraw/zinc/36/94/70/581369470.db2.gz GHAORTZDCKHIGM-DAXSKMNVSA-N -2 0 343.291 2.660 20 30 EFEDRL O=C([O-])N1CCC[C@@H](/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000739924111 599801059 /nfs/dbraw/zinc/80/10/59/599801059.db2.gz BOBIXQNZHNSVAN-WRCICQQISA-N -2 0 327.724 2.515 20 30 EFEDRL O=C([O-])c1ccc(O)c(C=NNc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000740161911 599906056 /nfs/dbraw/zinc/90/60/56/599906056.db2.gz UXYQSJAVVKXCAR-UHFFFAOYSA-N -2 0 334.715 2.888 20 30 EFEDRL C[C@H](Oc1ccc(/C=C\C(=O)c2ccc(O)cc2[O-])cc1)C(=O)[O-] ZINC000794701152 602112235 /nfs/dbraw/zinc/11/22/35/602112235.db2.gz LDMCVRQCFWKXNI-NJHLSQGMSA-N -2 0 328.320 2.846 20 30 EFEDRL O=C([O-])COc1cccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000833259905 604628049 /nfs/dbraw/zinc/62/80/49/604628049.db2.gz QXXLFRLZWJQTQR-WTKPLQERSA-N -2 0 326.304 2.744 20 30 EFEDRL C[C@@H](Oc1cccc(C=NNc2cccc(C(=O)[O-])c2)c1)C(=O)[O-] ZINC000746676385 605591631 /nfs/dbraw/zinc/59/16/31/605591631.db2.gz DVQRZUBUQZDXLC-LLVKDONJSA-N -2 0 328.324 2.683 20 30 EFEDRL O=C([O-])c1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)c([O-])c1 ZINC000806558547 1281094518 /nfs/dbraw/zinc/09/45/18/1281094518.db2.gz GBTOUSDOLJRSIY-QHHAFSJGSA-N -3 0 329.264 2.600 20 30 EFEDRL COc1cc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2[O-])cc(OC)c1O ZINC000806558815 1281095679 /nfs/dbraw/zinc/09/56/79/1281095679.db2.gz MRYFSYCQOZQEMS-ZZXKWVIFSA-N -2 0 344.319 2.709 20 30 EFEDRL O=C([O-])c1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nn2)c([O-])c1 ZINC000806559912 1281096130 /nfs/dbraw/zinc/09/61/30/1281096130.db2.gz GMNLEZDODRZOLD-VQHVLOKHSA-N -2 0 335.319 2.567 20 30 EFEDRL COC(=O)c1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2[O-])cc1 ZINC000806558858 1281096481 /nfs/dbraw/zinc/09/64/81/1281096481.db2.gz NRSRGBVROUXIGG-RUDMXATFSA-N -2 0 326.304 2.773 20 30 EFEDRL Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C#N)cc1C(=O)[O-] ZINC001184696154 1290494214 /nfs/dbraw/zinc/49/42/14/1290494214.db2.gz ATMNCQJEWMHOPR-UHFFFAOYSA-N -2 0 330.365 2.674 20 30 EFEDRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C#N)c(C)c1 ZINC001185914037 1290790993 /nfs/dbraw/zinc/79/09/93/1290790993.db2.gz LHFFGXOXEPSLBU-UHFFFAOYSA-N -2 0 330.365 2.674 20 30 EFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)cn1 ZINC000131754025 1293582611 /nfs/dbraw/zinc/58/26/11/1293582611.db2.gz OXNCACYLHPDWCG-UHFFFAOYSA-N -2 0 344.179 2.766 20 30 EFEDRL N#Cc1cc(NC(=O)c2c([O-])c(F)c(F)c(F)c2F)c([O-])cc1F ZINC001195303338 1293885641 /nfs/dbraw/zinc/88/56/41/1293885641.db2.gz VLRBRALKAONNHC-UHFFFAOYSA-N -2 0 344.195 2.917 20 30 EFEDRL N#Cc1ccc([O-])c([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)c1 ZINC001197672470 1294653963 /nfs/dbraw/zinc/65/39/63/1294653963.db2.gz GDBBZXMWECDBGL-UHFFFAOYSA-N -2 0 340.763 2.998 20 30 EFEDRL Cc1nc(C=Cc2ccc(O[C@@H](C)C#N)cc2)[nH]c(=O)c1CC(=O)[O-] ZINC000794713988 1303037953 /nfs/dbraw/zinc/03/79/53/1303037953.db2.gz PYFRBMQZRVBSSI-OFSNVTPPSA-N -2 0 339.351 2.579 20 30 EFEDRL N#Cc1ccnc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)c1 ZINC001260866783 1316374400 /nfs/dbraw/zinc/37/44/00/1316374400.db2.gz HNVLDBWTTLFMTP-UHFFFAOYSA-N -2 0 344.179 2.766 20 30 EFEDRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C#N)cc2)c1F ZINC000749140613 1315078144 /nfs/dbraw/zinc/07/81/44/1315078144.db2.gz CJEQVSWJHVVVQD-UHFFFAOYSA-N -2 0 334.328 2.505 20 30 EFEDRL N#Cc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])n1 ZINC001251390290 1315345730 /nfs/dbraw/zinc/34/57/30/1315345730.db2.gz WGHYBBCOUFGYMC-UHFFFAOYSA-N -2 0 344.179 2.766 20 30 EFEDRL C=CCC[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000316524532 1315467340 /nfs/dbraw/zinc/46/73/40/1315467340.db2.gz VMRHBSLMZSPMTQ-JTQLQIEISA-N -2 0 338.212 2.691 20 30 EFEDRL N#Cc1c([O-])csc1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC001259035083 1316200122 /nfs/dbraw/zinc/20/01/22/1316200122.db2.gz MHHLNEZIDWVEOR-UHFFFAOYSA-N -2 0 334.300 2.543 20 30 EFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(C#N)c2)c(Cl)c1 ZINC001259112701 1316210859 /nfs/dbraw/zinc/21/08/59/1316210859.db2.gz DWKVNUPDBOHPTL-UHFFFAOYSA-N -2 0 333.756 2.590 20 30 EFEDRL N#Cc1c([O-])csc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC001259464342 1316246901 /nfs/dbraw/zinc/24/69/01/1316246901.db2.gz JILNJJBXLZUMML-UHFFFAOYSA-N -2 0 332.765 2.919 20 30 EFEDRL Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccc(O)cc1C#N ZINC001260134993 1316318244 /nfs/dbraw/zinc/31/82/44/1316318244.db2.gz SCCOILUGKBBBOB-UHFFFAOYSA-N -2 0 339.376 2.921 20 30 EFEDRL N#Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260189711 1316321498 /nfs/dbraw/zinc/32/14/98/1316321498.db2.gz YXKLEVGAFNHZLY-UHFFFAOYSA-N -2 0 336.756 2.711 20 30 EFEDRL O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1cc(F)cc(F)c1[O-] ZINC000822922916 1429244386 /nfs/dbraw/zinc/24/43/86/1429244386.db2.gz KVRGKKQLXTVAHI-HNQUOIGGSA-N -2 0 334.307 2.808 20 30 EFEDRL Cc1cc(O)cc2c1C(=O)C(=Cc1cc(-c3nnn[n-]3)cs1)O2 ZINC000822210918 1427898651 /nfs/dbraw/zinc/89/86/51/1427898651.db2.gz WKMPICMOLKITAV-XGICHPGQSA-N -2 0 326.337 2.558 20 30 EFEDRL O=C([O-])c1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1 ZINC000823386983 1428005151 /nfs/dbraw/zinc/00/51/51/1428005151.db2.gz ADVGSLXVRBZHDE-NTEUORMPSA-N -2 0 346.346 2.777 20 30 EFEDRL Cc1cc(O)cc2c1C(=O)C(=Cc1ccc(F)c(-c3nn[n-]n3)c1)O2 ZINC000826271958 1442437263 /nfs/dbraw/zinc/43/72/63/1442437263.db2.gz OZBDZXKBEOHGJY-MKMNVTDBSA-N -2 0 338.298 2.636 20 30 EFEDRL O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000255233614 714402076 /nfs/dbraw/zinc/40/20/76/714402076.db2.gz SDDBHEUQCSEXQP-DJWKRKHSSA-N -2 0 330.252 2.810 20 30 EFEDRL O=C([O-])COc1ccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000916259316 727669907 /nfs/dbraw/zinc/66/99/07/727669907.db2.gz DVHAPBSJAWHVIZ-UHFFFAOYSA-N -2 0 348.742 2.948 20 30 EFEDRL COc1cc(C(=O)[O-])ccc1NN=C(C)c1cc(C(=O)[O-])cs1 ZINC000814886721 978895991 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C[C@H](Oc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1F)C(=O)[O-] ZINC001593633832 995924449 /nfs/dbraw/zinc/92/44/49/995924449.db2.gz KAADYOYJDRUDDP-VIFPVBQESA-N -2 0 344.298 2.507 20 30 EFEDRL C[C@H](Oc1cccc(C(=O)/C=C\c2ccoc2C(=O)[O-])c1)C(=O)[O-] ZINC001593634791 995928403 /nfs/dbraw/zinc/92/84/03/995928403.db2.gz AWUJLCWQPYSLTQ-OMMCCPJFSA-N -2 0 330.292 2.726 20 30 EFEDRL Cc1cc(OCC(=O)[O-])ccc1N=Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001600288821 1094947989 /nfs/dbraw/zinc/94/79/89/1094947989.db2.gz DCEPOLUTLPXEOX-UHFFFAOYSA-N -2 0 330.296 2.823 20 30 EFEDRL Cc1ccc(S(=O)(=O)Nc2cc(C#N)ccc2C)c(C(=O)[O-])c1 ZINC001600482754 1095097729 /nfs/dbraw/zinc/09/77/29/1095097729.db2.gz HWNZFZUUBJMBQA-UHFFFAOYSA-N -2 0 330.365 2.674 20 30 EFEDRL N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cc(C(=O)[O-])co1 ZINC001601046767 1095478190 /nfs/dbraw/zinc/47/81/90/1095478190.db2.gz BQOWFIBXNAUNMN-LLVKDONJSA-N -2 0 332.699 2.592 20 30 EFEDRL O=C([O-])[C@H]([N-]C(=O)C(F)(F)C(F)F)c1cccc(C(F)(F)F)c1 ZINC001601665295 1095793982 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Cc1cc(C)c(C(=O)[O-])cc1C=Nn1c(C(F)(F)F)n[n-]c1=S ZINC000814723902 1286968497 /nfs/dbraw/zinc/96/84/97/1286968497.db2.gz NPUYNBXWDTWOOQ-UHFFFAOYSA-N -2 0 344.318 2.783 20 30 EFEDRL N#Cc1ccc([O-])c([N-]S(=O)(=O)CCc2ccc(Cl)cc2)c1 ZINC001189103900 1291585686 /nfs/dbraw/zinc/58/56/86/1291585686.db2.gz NVJQBVUNOCOPCN-UHFFFAOYSA-N -2 0 336.800 2.902 20 30 EFEDRL N#Cc1cc([N-]S(=O)(=O)Cc2ccc(F)c(F)c2)c([O-])cc1F ZINC001189316662 1291671640 /nfs/dbraw/zinc/67/16/40/1291671640.db2.gz TUWHJQHNTCQUIV-UHFFFAOYSA-N -2 0 342.298 2.623 20 30 EFEDRL N#Cc1cc([N-]S(=O)(=O)Cc2ccc(F)cc2F)c([O-])cc1F ZINC001189824102 1291882559 /nfs/dbraw/zinc/88/25/59/1291882559.db2.gz FHCSEMOAYDXEBQ-UHFFFAOYSA-N -2 0 342.298 2.623 20 30 EFEDRL C[C@H](NC(=O)c1ccccc1OP(=O)([O-])[O-])c1cccc(C#N)c1 ZINC001189899444 1291930793 /nfs/dbraw/zinc/93/07/93/1291930793.db2.gz BSDHBGWSOCVBHG-NSHDSACASA-N -2 0 346.279 2.521 20 30 EFEDRL COc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2F)ccc1[S-] ZINC001190655752 1292268499 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O=C([O-])c1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)s1 ZINC000826461742 1443383166 /nfs/dbraw/zinc/38/31/66/1443383166.db2.gz FLIFEWGZANQFCW-WAYWQWQTSA-N -2 0 326.337 2.523 20 30 EFEDRL O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000823645592 1443857189 /nfs/dbraw/zinc/85/71/89/1443857189.db2.gz UNIDJOOOPRESJV-UHFFFAOYSA-N -2 0 344.718 2.885 20 30 EFEDRL C#Cc1cccc(NS(=O)(=O)c2ccc(CC)c(C(=O)[O-])c2)c1 ZINC000152933656 726294712 /nfs/dbraw/zinc/29/47/12/726294712.db2.gz RWNKVTTXXQVQBO-UHFFFAOYSA-N -2 0 329.377 2.729 20 30 EFEDRL O=C([O-])COc1ccc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)cc1 ZINC000915987367 727646014 /nfs/dbraw/zinc/64/60/14/727646014.db2.gz BTRZLOOYSSCOPT-YHYXMXQVSA-N -2 0 340.331 2.673 20 30 EFEDRL N#CC(=C([O-])c1ccc(OCC(=O)[O-])cc1)c1nc2ccccc2o1 ZINC001601047767 970923092 /nfs/dbraw/zinc/92/30/92/970923092.db2.gz XRBCENQBYUOORT-CYBMUJFWSA-N -2 0 336.303 2.781 20 30 EFEDRL C[C@](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])(C(=O)[O-])c1ccccc1 ZINC001592624075 978597893 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Cc1cc(C=NNc2ccc(C(=O)[O-])cc2)cc(C)c1OCC(=O)[O-] ZINC001600185378 1094851874 /nfs/dbraw/zinc/85/18/74/1094851874.db2.gz OLUUZRBKRRVSPB-UHFFFAOYSA-N -2 0 342.351 2.911 20 30 EFEDRL N#CC(C(=O)c1cc(C(=O)[O-])no1)=C([O-])c1cc2c(s1)CCCC2 ZINC001601047508 1095477410 /nfs/dbraw/zinc/47/74/10/1095477410.db2.gz RVLGKZKTMNGVQR-VIFPVBQESA-N -2 0 344.348 2.518 20 30 EFEDRL N#CC(=C([O-])c1cc(C(=O)[O-])no1)c1nc2ccccc2n1C(F)F ZINC001601047765 1095478160 /nfs/dbraw/zinc/47/81/60/1095478160.db2.gz XQJJJBFJRFYBMR-SSDOTTSWSA-N -2 0 346.249 2.608 20 30 EFEDRL N#CC(C(=O)c1cc(C(=O)[O-])no1)=C([O-])c1cc2c(s1)CCCC2 ZINC001601047507 1095478209 /nfs/dbraw/zinc/47/82/09/1095478209.db2.gz RVLGKZKTMNGVQR-SECBINFHSA-N -2 0 344.348 2.518 20 30 EFEDRL O=C([O-])CCOc1cccc(C=NNc2cccc(F)c2C(=O)[O-])c1 ZINC001602027978 1096025277 /nfs/dbraw/zinc/02/52/77/1096025277.db2.gz KRPMZQRCBYGPIF-UHFFFAOYSA-N -2 0 346.314 2.823 20 30 EFEDRL C#CC[C@H](NC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])C(=O)[O-] ZINC001602692626 1096352126 /nfs/dbraw/zinc/35/21/26/1096352126.db2.gz PWBIVWQQDOSQBG-HNNXBMFYSA-N -2 0 343.766 2.919 20 30 EFEDRL N#Cc1cc(O)cc(C(=O)O[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC001608197514 1097858608 /nfs/dbraw/zinc/85/86/08/1097858608.db2.gz CULIFQMOSSTOAJ-HNNXBMFYSA-N -2 0 345.738 2.770 20 30 EFEDRL Cc1ccc(NN=Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)cc1C(=O)[O-] ZINC001610509486 1098721716 /nfs/dbraw/zinc/72/17/16/1098721716.db2.gz LABJDABQVGLUNP-LBPRGKRZSA-N -2 0 342.351 2.991 20 30 EFEDRL O=C([O-])Cc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000748146178 1102822912 /nfs/dbraw/zinc/82/29/12/1102822912.db2.gz DZWPCXXDKAYVBB-YWEYNIOJSA-N -2 0 327.292 2.824 20 30 EFEDRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1 ZINC000315639142 141487984 /nfs/dbraw/zinc/48/79/84/141487984.db2.gz VSEQLRLLZRDRAG-UHFFFAOYSA-N -2 0 340.744 2.612 20 30 EFEDRL Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cc(C(=O)[O-])c1 ZINC000551944340 318228539 /nfs/dbraw/zinc/22/85/39/318228539.db2.gz WOJFGQWSPVWBBL-UHFFFAOYSA-N -2 0 334.328 2.505 20 30 EFEDRL CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000357109556 476237786 /nfs/dbraw/zinc/23/77/86/476237786.db2.gz WDVPSOBZTAITCF-UHFFFAOYSA-N -2 0 345.380 2.576 20 30 EFEDRL N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c(Cl)c1 ZINC000181117896 526685649 /nfs/dbraw/zinc/68/56/49/526685649.db2.gz NASHGOYTMHBMKW-UHFFFAOYSA-N -2 0 336.756 2.711 20 30 EFEDRL COc1cc(C(=O)[O-])ccc1N=NC(C)c1ccc(C(=O)[O-])cc1 ZINC000756899323 575798534 /nfs/dbraw/zinc/79/85/34/575798534.db2.gz WLWVSVQHRMZOAK-UHFFFAOYSA-N -2 0 328.324 2.928 20 30 EFEDRL COc1cc(C(=O)[O-])ccc1NN=C(C)c1cccc(C(=O)[O-])c1 ZINC000756906087 575799672 /nfs/dbraw/zinc/79/96/72/575799672.db2.gz SXMIWEWDULJZKS-UHFFFAOYSA-N -2 0 328.324 2.928 20 30 EFEDRL O=C([O-])c1ccc([O-])c(C(=O)/C=C/c2ccc3c(c2)OCCO3)c1 ZINC000757472545 575840063 /nfs/dbraw/zinc/84/00/63/575840063.db2.gz KDACJFCBXNGRED-DAFODLJHSA-N -2 0 326.304 2.758 20 30 EFEDRL Cc1cc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2[O-])ccc1-n1cncn1 ZINC000757475151 575840343 /nfs/dbraw/zinc/84/03/43/575840343.db2.gz YJKJREWHWQLUQB-ZZXKWVIFSA-N -2 0 349.346 2.876 20 30 EFEDRL COc1ccc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)cc1CC(=O)[O-] ZINC000765823026 577080680 /nfs/dbraw/zinc/08/06/80/577080680.db2.gz CWNLCPRUQUNVJI-FNORWQNLSA-N -2 0 340.331 2.917 20 30 EFEDRL COc1ccc(C(=O)/C=C/c2cc(C(=O)[O-])cs2)cc1CC(=O)[O-] ZINC000765827599 577081106 /nfs/dbraw/zinc/08/11/06/577081106.db2.gz XCRJLPVMXNRZIF-ONEGZZNKSA-N -2 0 346.360 2.978 20 30 EFEDRL O=C([O-])COc1cccc(C(=O)/C=C/c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000772796247 581369456 /nfs/dbraw/zinc/36/94/56/581369456.db2.gz GHAORTZDCKHIGM-QPJJXVBHSA-N -2 0 343.291 2.660 20 30 EFEDRL CSc1[n-]c(=O)c(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)cc1C#N ZINC000820906159 597491994 /nfs/dbraw/zinc/49/19/94/597491994.db2.gz KVKBNBUHUBFORG-UHFFFAOYSA-N -2 0 343.364 2.640 20 30 EFEDRL COc1ccc(-c2nc(SCCCC(=O)[O-])[n-]c(=O)c2C#N)cc1 ZINC000737911244 600273806 /nfs/dbraw/zinc/27/38/06/600273806.db2.gz DGBPCBGCDQEPEH-UHFFFAOYSA-N -2 0 345.380 2.686 20 30 EFEDRL C=CCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1 ZINC000825702657 601232518 /nfs/dbraw/zinc/23/25/18/601232518.db2.gz SBFNYDRQIOJCPF-UHFFFAOYSA-N -2 0 337.353 2.652 20 30 EFEDRL C[C@H](Oc1ccc(C=NNc2ccc(C(=O)[O-])cc2)cc1)C(=O)[O-] ZINC000794855927 602065401 /nfs/dbraw/zinc/06/54/01/602065401.db2.gz BKBUGDYNWCLBIM-NSHDSACASA-N -2 0 328.324 2.683 20 30 EFEDRL C[C@@H](Oc1ccc(C=NNc2ccccc2C(=O)[O-])cc1)C(=O)[O-] ZINC000794888482 602071139 /nfs/dbraw/zinc/07/11/39/602071139.db2.gz QVEGKCRPGXJINV-LLVKDONJSA-N -2 0 328.324 2.683 20 30 EFEDRL O=C([O-])COc1cccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000833259903 604628121 /nfs/dbraw/zinc/62/81/21/604628121.db2.gz QXXLFRLZWJQTQR-RUDMXATFSA-N -2 0 326.304 2.744 20 30 EFEDRL O=C([O-])CCOc1cccc(C=NNc2ccccc2C(=O)[O-])c1 ZINC000746683202 605097922 /nfs/dbraw/zinc/09/79/22/605097922.db2.gz UEPHAIHSTQDHBI-UHFFFAOYSA-N -2 0 328.324 2.684 20 30 EFEDRL O=C([O-])COc1cccc(/C=C\C(=O)c2csc(C(=O)[O-])c2)c1 ZINC000733206320 1265125942 /nfs/dbraw/zinc/12/59/42/1265125942.db2.gz GSYSRCAQDAMZKW-PLNGDYQASA-N -2 0 332.333 2.806 20 30 EFEDRL CC(=O)Nc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2[O-])cc1 ZINC000806561300 1281095873 /nfs/dbraw/zinc/09/58/73/1281095873.db2.gz SYGAHQDNEROMMB-RUDMXATFSA-N -2 0 325.320 2.945 20 30 EFEDRL COC(=O)c1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2[O-])cc1 ZINC000806558859 1281096015 /nfs/dbraw/zinc/09/60/15/1281096015.db2.gz NRSRGBVROUXIGG-WTKPLQERSA-N -2 0 326.304 2.773 20 30 EFEDRL C[C@H](C#N)c1ccc(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])cc1 ZINC001148926679 1281826142 /nfs/dbraw/zinc/82/61/42/1281826142.db2.gz RJTQUTLLSGCDMO-SNVBAGLBSA-N -2 0 346.364 2.518 20 30 EFEDRL O=C([O-])c1cc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2[O-])ccc1O ZINC000809157750 1282068237 /nfs/dbraw/zinc/06/82/37/1282068237.db2.gz NIOLDBLQGMJDSJ-DAFODLJHSA-N -2 0 329.264 2.600 20 30 EFEDRL [O-]c1cc(F)c(Cl)cc1C=Nn1c(=S)[n-]nc1C(F)(F)F ZINC000814723755 1286969494 /nfs/dbraw/zinc/96/94/94/1286969494.db2.gz LOUJTFBNILSRJT-UHFFFAOYSA-N -2 0 340.689 2.966 20 30 EFEDRL COC(=O)c1scc(C#N)c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176238084 1287910542 /nfs/dbraw/zinc/91/05/42/1287910542.db2.gz JGQXQXNWZMNCBK-UHFFFAOYSA-N -2 0 346.320 2.546 20 30 EFEDRL Cc1csc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1C#N ZINC001184653601 1290489955 /nfs/dbraw/zinc/48/99/55/1290489955.db2.gz OCXGUOXGXIRULA-UHFFFAOYSA-N -2 0 336.394 2.736 20 30 EFEDRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c(C#N)c1 ZINC001185905972 1290782948 /nfs/dbraw/zinc/78/29/48/1290782948.db2.gz ICGXHZLFEOUJKI-UHFFFAOYSA-N -2 0 330.365 2.674 20 30 EFEDRL N#Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cs1 ZINC001188282802 1291365206 /nfs/dbraw/zinc/36/52/06/1291365206.db2.gz WYCBRKPSATVUTE-UHFFFAOYSA-N -2 0 342.785 2.772 20 30 EFEDRL N#Cc1ccc([O-])c([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)c1 ZINC001191898627 1292713941 /nfs/dbraw/zinc/71/39/41/1292713941.db2.gz WPQMEBCZUGQJMZ-UHFFFAOYSA-N -2 0 340.763 2.998 20 30 EFEDRL N#Cc1c([O-])csc1[N-]S(=O)(=O)c1ncccc1C(F)(F)F ZINC001194537753 1293661052 /nfs/dbraw/zinc/66/10/52/1293661052.db2.gz CZYRKJUPPDSDRW-UHFFFAOYSA-N -2 0 349.315 2.540 20 30 EFEDRL O=C([O-])COc1ccccc1C=Nn1c(=S)[n-]nc1-c1ccco1 ZINC000254827202 1300639621 /nfs/dbraw/zinc/63/96/21/1300639621.db2.gz KXVXELNJBWKFTM-UHFFFAOYSA-N -2 0 344.352 2.546 20 30 EFEDRL CN(C)/C=N/c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1C#N ZINC001242162973 1314186923 /nfs/dbraw/zinc/18/69/23/1314186923.db2.gz NLYIREURYIXYCE-KEBDBYFISA-N -2 0 337.335 2.843 20 30 EFEDRL N#Cc1ccncc1[N-]S(=O)(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260868765 1316374630 /nfs/dbraw/zinc/37/46/30/1316374630.db2.gz IYDSHVKGZXDTKB-UHFFFAOYSA-N -2 0 344.179 2.766 20 30 EFEDRL N#Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000013340772 1308762065 /nfs/dbraw/zinc/76/20/65/1308762065.db2.gz WHQAMELFKZDQOS-UHFFFAOYSA-N -2 0 336.756 2.711 20 30 EFEDRL Cc1cc(-c2noc(-c3cc([N+](=O)[O-])c([O-])cc3[O-])n2)ccc1C#N ZINC001216751367 1315003790 /nfs/dbraw/zinc/00/37/90/1315003790.db2.gz ONYGINDMSFRGTG-UHFFFAOYSA-N -2 0 338.279 2.903 20 30 EFEDRL N#Cc1c([O-])csc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC001250971179 1315304026 /nfs/dbraw/zinc/30/40/26/1315304026.db2.gz QYLJSFJYADJJLF-UHFFFAOYSA-N -2 0 331.378 2.674 20 30 EFEDRL N#Cc1c([O-])csc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC001254875636 1315753684 /nfs/dbraw/zinc/75/36/84/1315753684.db2.gz YTJVRCPBVYTJLM-UHFFFAOYSA-N -2 0 332.765 2.919 20 30 EFEDRL N#Cc1c([O-])csc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC001258911219 1316191554 /nfs/dbraw/zinc/19/15/54/1316191554.db2.gz JNYNODVXXZGUFJ-UHFFFAOYSA-N -2 0 332.765 2.919 20 30 EFEDRL N#Cc1c([O-])csc1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001259453029 1316244958 /nfs/dbraw/zinc/24/49/58/1316244958.db2.gz FPLCRYGJDQPCKO-UHFFFAOYSA-N -2 0 332.765 2.919 20 30 EFEDRL Cc1cc(C#N)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1F ZINC001260190691 1316322021 /nfs/dbraw/zinc/32/20/21/1316322021.db2.gz AJESGHPIQHYDEB-UHFFFAOYSA-N -2 0 334.328 2.505 20 30 EFEDRL COc1ccc(C=CC(=O)c2ccc(C)cc2[O-])cc1-c1nn[n-]n1 ZINC000821786588 1428933912 /nfs/dbraw/zinc/93/39/12/1428933912.db2.gz FXLSJOPPCBKHHK-DAXSKMNVSA-N -2 0 336.351 2.785 20 30 EFEDRL O=C(C=Cc1ccccc1-c1nn[n-]n1)c1cc(F)cc(F)c1[O-] ZINC000826402123 1428923053 /nfs/dbraw/zinc/92/30/53/1428923053.db2.gz NLFDAGHCZZSELS-WAYWQWQTSA-N -2 0 328.278 2.747 20 30 EFEDRL