smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([N-][C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1CC1(F)F ZINC000450419732 1032491085 /nfs/dbraw/zinc/49/10/85/1032491085.db2.gz ISTFIMTVOBMQDZ-IUCAKERBSA-N -1 1 347.205 4.080 20 30 EIEDMM C[C@H]1CC(=O)C=C(Nc2cc(Br)cc(Cl)c2[O-])C1 ZINC001210774960 1021656937 /nfs/dbraw/zinc/65/69/37/1021656937.db2.gz CSZXRSOUFKDUHH-SSDOTTSWSA-N -1 1 330.609 4.103 20 30 EIEDMM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc2ccccc2cc1[O-] ZINC000220097291 1023452590 /nfs/dbraw/zinc/45/25/90/1023452590.db2.gz SVAZPXQOGZNEQZ-UHFFFAOYSA-N -1 1 344.414 4.468 20 30 EIEDMM CCc1c(C)sc([N-]C(=O)c2ncsc2C(F)(F)F)c1C#N ZINC000549299171 1023664285 /nfs/dbraw/zinc/66/42/85/1023664285.db2.gz CVHYMZVTFGWEEB-UHFFFAOYSA-N -1 1 345.371 4.218 20 30 EIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccnc(C)c3)n2)cc1 ZINC000342333110 1025871445 /nfs/dbraw/zinc/87/14/45/1025871445.db2.gz IANZRJJRZMAAMS-MRXNPFEDSA-N -1 1 349.415 4.012 20 30 EIEDMM CSc1ccccc1[N-]C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000344341214 1026255589 /nfs/dbraw/zinc/25/55/89/1026255589.db2.gz LBSIGXNYDZIQIS-UHFFFAOYSA-N -1 1 335.388 4.187 20 30 EIEDMM C=CC[C@@H](NCc1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)[O-] ZINC000426837483 1026587724 /nfs/dbraw/zinc/58/77/24/1026587724.db2.gz YDKAKJSLFUINJO-CQSZACIVSA-N -1 1 339.313 4.084 20 30 EIEDMM N#Cc1cc(NCc2cccc(Br)c2[O-])ccc1Cl ZINC000048796035 1026861251 /nfs/dbraw/zinc/86/12/51/1026861251.db2.gz JURJLJBHLZNTGU-UHFFFAOYSA-N -1 1 337.604 4.292 20 30 EIEDMM CCC1CCC(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)CC1 ZINC000331026592 1027906289 /nfs/dbraw/zinc/90/62/89/1027906289.db2.gz BTHFBZLLBJHLSQ-UHFFFAOYSA-N -1 1 333.476 4.309 20 30 EIEDMM N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cccc(Cl)c2)cc1[O-] ZINC000444657938 1027927024 /nfs/dbraw/zinc/92/70/24/1027927024.db2.gz FBRTZZYAZDNSOI-KRWDZBQOSA-N -1 1 340.810 4.285 20 30 EIEDMM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1cc(C2CC2)no1 ZINC000281676005 1028833045 /nfs/dbraw/zinc/83/30/45/1028833045.db2.gz LXKRBSKJQWDVQJ-NSHDSACASA-N -1 1 327.409 4.056 20 30 EIEDMM N#Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)c1 ZINC000447340251 1030005944 /nfs/dbraw/zinc/00/59/44/1030005944.db2.gz JASPIZYNAXXZJL-UHFFFAOYSA-N -1 1 342.807 4.166 20 30 EIEDMM N#CC(=C([O-])c1ccc2c(c1)OCO2)c1nc(-c2ccccc2)cs1 ZINC000041535804 1031499156 /nfs/dbraw/zinc/49/91/56/1031499156.db2.gz HAPGSQUJAUDQGC-AWEZNQCLSA-N -1 1 348.383 4.029 20 30 EIEDMM Cc1csc(C(C#N)=C([O-])c2c(Cl)c3ccccc3n2C)n1 ZINC000048789218 1031855416 /nfs/dbraw/zinc/85/54/16/1031855416.db2.gz XTYOBUQBNZESFC-NSHDSACASA-N -1 1 329.812 4.087 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000614294006 1033967948 /nfs/dbraw/zinc/96/79/48/1033967948.db2.gz IMJJRZMBRGFHLO-UHFFFAOYSA-N -1 1 326.355 4.087 20 30 EIEDMM Cc1ccc(-c2csc(NC(=O)c3cc([O-])cc(C#N)c3)n2)c(C)c1 ZINC000614293750 1033968286 /nfs/dbraw/zinc/96/82/86/1033968286.db2.gz YWLVXCKBAGCMAM-UHFFFAOYSA-N -1 1 349.415 4.257 20 30 EIEDMM CC(C)COc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1Cl ZINC000614295592 1033972239 /nfs/dbraw/zinc/97/22/39/1033972239.db2.gz XZTAHBDYFRSKMT-UHFFFAOYSA-N -1 1 344.798 4.204 20 30 EIEDMM Cc1cc(NC(=O)c2cc([O-])cc(C#N)c2)ccc1Oc1cccnc1 ZINC000614366351 1034474489 /nfs/dbraw/zinc/47/44/89/1034474489.db2.gz IVJZIIOKMWXHGA-UHFFFAOYSA-N -1 1 345.358 4.012 20 30 EIEDMM COc1ccc2occ(C([O-])=C(C#N)c3ccc4ccccc4n3)c2c1 ZINC000669600160 1036115296 /nfs/dbraw/zinc/11/52/96/1036115296.db2.gz TXPQZFTWJJBCSQ-INIZCTEOSA-N -1 1 342.354 4.480 20 30 EIEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000597782284 1036349769 /nfs/dbraw/zinc/34/97/69/1036349769.db2.gz VQXYDSMVNBQMHS-PMACEKPBSA-N -1 1 334.419 4.062 20 30 EIEDMM CC(C)[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(Cl)cc1 ZINC000589183313 1036701336 /nfs/dbraw/zinc/70/13/36/1036701336.db2.gz DZUJAPARIQDDIX-QGZVFWFLSA-N -1 1 328.799 4.044 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(Sc3ccncc3)cc2)c1 ZINC000589192452 1036703743 /nfs/dbraw/zinc/70/37/43/1036703743.db2.gz AFYRWZYJAIAYER-UHFFFAOYSA-N -1 1 347.399 4.062 20 30 EIEDMM N#CCCCOc1cccc(/C=C2/CCc3cc([O-])ccc3C2=O)c1 ZINC000171149227 1037161619 /nfs/dbraw/zinc/16/16/19/1037161619.db2.gz DQYDDJKEACPFOP-ATVHPVEESA-N -1 1 333.387 4.287 20 30 EIEDMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593187508 1038017144 /nfs/dbraw/zinc/01/71/44/1038017144.db2.gz NCGDRUCRQXOFDU-UHFFFAOYSA-N -1 1 342.464 4.159 20 30 EIEDMM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593187760 1038019397 /nfs/dbraw/zinc/01/93/97/1038019397.db2.gz RVOBQQPIPDZWQJ-UHFFFAOYSA-N -1 1 342.464 4.412 20 30 EIEDMM C=C[C@H](CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccccc1 ZINC000534765597 1039770079 /nfs/dbraw/zinc/77/00/79/1039770079.db2.gz DUDPNLMJXIXQSP-CQSZACIVSA-N -1 1 333.391 4.081 20 30 EIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2Cl)s1 ZINC000435480445 1040409794 /nfs/dbraw/zinc/40/97/94/1040409794.db2.gz GUXFBRQTOFDQSL-UHFFFAOYSA-N -1 1 348.783 4.012 20 30 EIEDMM N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(O)cc3[O-])c2)cc1 ZINC000436710808 1041437616 /nfs/dbraw/zinc/43/76/16/1041437616.db2.gz ZJZDSFXPZWJBLF-UHFFFAOYSA-N -1 1 346.342 4.014 20 30 EIEDMM C=CCN(Cc1cccs1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436761904 1041459709 /nfs/dbraw/zinc/45/97/09/1041459709.db2.gz AZGYAMJHGVYLRX-UHFFFAOYSA-N -1 1 341.354 4.301 20 30 EIEDMM Cc1ccc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)cc1[N+](=O)[O-] ZINC000730590743 1043564921 /nfs/dbraw/zinc/56/49/21/1043564921.db2.gz UNZMPEUFOPDGDG-CEXMDJMXSA-N -1 1 327.311 4.131 20 30 EIEDMM O=C1c2ccc([O-])cc2O/C1=C\c1ccc(OC(F)F)c(Cl)c1 ZINC000731489422 1043765680 /nfs/dbraw/zinc/76/56/80/1043765680.db2.gz GWYKADVYVIRGFU-NSIKDUERSA-N -1 1 338.693 4.263 20 30 EIEDMM N#Cc1cccc(Cl)c1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000682465871 1043820341 /nfs/dbraw/zinc/82/03/41/1043820341.db2.gz VVXNBMIWNGJBLA-UHFFFAOYSA-N -1 1 340.810 4.017 20 30 EIEDMM N#Cc1ccc(C(=O)N2Cc3ccccc3-c3ccccc3C2)cc1[O-] ZINC000442961915 1043925940 /nfs/dbraw/zinc/92/59/40/1043925940.db2.gz JRELFXKQMXUTOX-UHFFFAOYSA-N -1 1 340.382 4.087 20 30 EIEDMM C=CCN(CC1CCCCC1)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442964749 1043927664 /nfs/dbraw/zinc/92/76/64/1043927664.db2.gz LAWADXFAWQLKRU-UHFFFAOYSA-N -1 1 337.847 4.263 20 30 EIEDMM N#Cc1ccsc1C(=O)[N-]c1nnc(-c2cccc(Cl)c2)s1 ZINC000068010719 1044097152 /nfs/dbraw/zinc/09/71/52/1044097152.db2.gz YTJMZLYMQHXYFJ-UHFFFAOYSA-N -1 1 346.824 4.044 20 30 EIEDMM N#CC(=C([O-])c1ccc(-c2ccco2)s1)c1nc2ccccc2[nH]1 ZINC000675905855 1044575102 /nfs/dbraw/zinc/57/51/02/1044575102.db2.gz DZCXSIZVCOUEKU-LLVKDONJSA-N -1 1 333.372 4.374 20 30 EIEDMM N#Cc1cc(Br)c(F)cc1Nc1ccc([O-])c(F)c1F ZINC001212016164 1045839119 /nfs/dbraw/zinc/83/91/19/1045839119.db2.gz BANNQISYUZIYTR-UHFFFAOYSA-N -1 1 343.102 4.187 20 30 EIEDMM CC(N=Nc1ncccc1C(F)(F)F)c1ccc([O-])c(Cl)c1 ZINC000768774630 1045839699 /nfs/dbraw/zinc/83/96/99/1045839699.db2.gz XXVSLGAOXBKREL-UHFFFAOYSA-N -1 1 329.709 4.296 20 30 EIEDMM N#CC(=C([O-])C=Cc1ccc2[nH]ccc2c1)c1cnc2ccccc2n1 ZINC000792115269 1045860788 /nfs/dbraw/zinc/86/07/88/1045860788.db2.gz WCEJWOPESOYBQB-BVBGJJFLSA-N -1 1 338.370 4.001 20 30 EIEDMM O=C([O-])c1ccc(NN=Cc2sc3ccccc3c2Cl)nc1 ZINC000763371936 1046018902 /nfs/dbraw/zinc/01/89/02/1046018902.db2.gz MYKRWZDGNSFPLA-UHFFFAOYSA-N -1 1 331.784 4.094 20 30 EIEDMM COc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cc2)c2ccccc12 ZINC000916540912 1046074071 /nfs/dbraw/zinc/07/40/71/1046074071.db2.gz XDCIQLPXIQMOHT-UHFFFAOYSA-N -1 1 334.375 4.383 20 30 EIEDMM C[C@@H]1CCc2sc(C([O-])=C(C#N)c3nc4ccccc4n3C)cc2C1 ZINC000123452419 1046132029 /nfs/dbraw/zinc/13/20/29/1046132029.db2.gz VJXXTHNDBLDDOK-OCCSQVGLSA-N -1 1 349.459 4.250 20 30 EIEDMM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1ccc(Cl)o1 ZINC000916902899 1046428646 /nfs/dbraw/zinc/42/86/46/1046428646.db2.gz IQTMRYVDRNRJLZ-CYBMUJFWSA-N -1 1 344.798 4.019 20 30 EIEDMM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ccc(Cl)s1 ZINC000916907181 1046456794 /nfs/dbraw/zinc/45/67/94/1046456794.db2.gz VFXLYZLCFCCNGK-MRVPVSSYSA-N -1 1 339.203 4.016 20 30 EIEDMM C[C@H](c1ccccc1)n1ccc([N-]c2nc(Cl)c(C#N)s2)n1 ZINC000804551916 1046585106 /nfs/dbraw/zinc/58/51/06/1046585106.db2.gz WUVMFYVVBUTTDA-SNVBAGLBSA-N -1 1 329.816 4.218 20 30 EIEDMM COc1ccc2nc(/C=C3\CCc4cc([O-])ccc4C3=O)sc2c1 ZINC000788734736 1047297398 /nfs/dbraw/zinc/29/73/98/1047297398.db2.gz XWVQXOKQMJRPMQ-FMIVXFBMSA-N -1 1 337.400 4.223 20 30 EIEDMM CC1(C)CCC1N=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000789004512 1047348643 /nfs/dbraw/zinc/34/86/43/1047348643.db2.gz HOSNMKOQWVYXEC-UHFFFAOYSA-N -1 1 343.452 4.075 20 30 EIEDMM CCCOc1ccc2c(c1)C(=O)/C(=C/c1ccc([O-])c(Cl)c1)CO2 ZINC000921270319 1048903897 /nfs/dbraw/zinc/90/38/97/1048903897.db2.gz UCVWVORJKQQKOS-MDWZMJQESA-N -1 1 344.794 4.493 20 30 EIEDMM Cc1csc(C(C#N)=C([O-])c2cccc(-c3csc(C)n3)c2)n1 ZINC000076763818 1048941612 /nfs/dbraw/zinc/94/16/12/1048941612.db2.gz MLVGMWQKOKOCGD-AWEZNQCLSA-N -1 1 339.445 4.374 20 30 EIEDMM Cc1ccc2nc(C(=O)[N-]c3c(C#N)oc4ccccc43)sc2c1 ZINC001147553762 1049176084 /nfs/dbraw/zinc/17/60/84/1049176084.db2.gz QHVOXHZOMICPAO-UHFFFAOYSA-N -1 1 333.372 4.475 20 30 EIEDMM COc1ccc([O-])c(C(=O)/C=C\c2ccc(C#N)cc2C(F)(F)F)c1 ZINC000811694072 1049233004 /nfs/dbraw/zinc/23/30/04/1049233004.db2.gz SRPYAUCWVRUGRE-XQRVVYSFSA-N -1 1 347.292 4.187 20 30 EIEDMM C[C@@H](C#N)c1cccc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])c1 ZINC001148624298 1049348895 /nfs/dbraw/zinc/34/88/95/1049348895.db2.gz NWZHZOSWTSWAQK-JTQLQIEISA-N -1 1 334.297 4.290 20 30 EIEDMM N#Cc1ccc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)c([O-])c1 ZINC001148958478 1049405204 /nfs/dbraw/zinc/40/52/04/1049405204.db2.gz CENSXAXCPDTHDP-UHFFFAOYSA-N -1 1 340.688 4.188 20 30 EIEDMM [O-]/N=C/c1cc(NCCOC2CCCCC2)cc(C(F)(F)F)c1 ZINC001171479486 1049732098 /nfs/dbraw/zinc/73/20/98/1049732098.db2.gz MIXLGUGVQWDRAO-SRZZPIQSSA-N -1 1 330.350 4.275 20 30 EIEDMM N#Cc1c([O-])csc1NC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC001187125449 1050486819 /nfs/dbraw/zinc/48/68/19/1050486819.db2.gz JZOIMILBUXORND-UHFFFAOYSA-N -1 1 328.180 4.276 20 30 EIEDMM CCC(CC)(C(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccccc1 ZINC000075194826 1050509263 /nfs/dbraw/zinc/50/92/63/1050509263.db2.gz YVBGRDNMTBLMSO-UHFFFAOYSA-N -1 1 326.322 4.170 20 30 EIEDMM CCCCOc1ccc(NC(=O)Nc2ccc(C#N)cc2[O-])cc1 ZINC001189314939 1050960269 /nfs/dbraw/zinc/96/02/69/1050960269.db2.gz DVVJHIDSCKOFGM-UHFFFAOYSA-N -1 1 325.368 4.087 20 30 EIEDMM C=CCC1(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)CC1 ZINC001190805975 1051281298 /nfs/dbraw/zinc/28/12/98/1051281298.db2.gz ZRRMTXIIVFRLHZ-UHFFFAOYSA-N -1 1 329.421 4.329 20 30 EIEDMM CC(C)(C)c1cc([N-]C(=O)c2nc(Cl)ccc2F)c(C#N)s1 ZINC000774164477 1051489067 /nfs/dbraw/zinc/48/90/67/1051489067.db2.gz SBPYIYHCOVNOGK-UHFFFAOYSA-N -1 1 337.807 4.357 20 30 EIEDMM N#Cc1ccc(NC(=O)Cc2ccc(-c3ccccc3)c(F)c2)c([O-])c1 ZINC001182688929 1051674475 /nfs/dbraw/zinc/67/44/75/1051674475.db2.gz NFUQCTHJUKUZIJ-UHFFFAOYSA-N -1 1 346.361 4.251 20 30 EIEDMM C[Si](C)(C)C#Cc1cccc(NC(=O)c2cc([O-])cc(F)c2F)c1 ZINC001192670063 1051787703 /nfs/dbraw/zinc/78/77/03/1051787703.db2.gz DFIIQVUTIUTUCW-UHFFFAOYSA-N -1 1 345.421 4.152 20 30 EIEDMM [O-]c1c(F)cc(F)c(Nc2cc(C(F)(F)F)cnc2F)c1F ZINC001176669663 1052158207 /nfs/dbraw/zinc/15/82/07/1052158207.db2.gz JQYWFMLPUZCCOT-UHFFFAOYSA-N -1 1 326.171 4.106 20 30 EIEDMM CN(C[C@H]1CC1(C)C)C(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196315370 1053630163 /nfs/dbraw/zinc/63/01/63/1053630163.db2.gz DBXLCMANJSKFRX-GOSISDBHSA-N -1 1 334.419 4.049 20 30 EIEDMM Cc1coc([N-]C(=O)c2cc(-c3ccc(C(C)C)cc3)on2)c1C#N ZINC001196742289 1053745775 /nfs/dbraw/zinc/74/57/75/1053745775.db2.gz HPOJKBBAPGGYDQ-UHFFFAOYSA-N -1 1 335.363 4.490 20 30 EIEDMM N#Cc1c([N-]C(=O)c2scnc2C(F)F)sc2c1CCCC2 ZINC000875003288 1054753161 /nfs/dbraw/zinc/75/31/61/1054753161.db2.gz PDVYVWYDCWQGET-UHFFFAOYSA-N -1 1 339.392 4.145 20 30 EIEDMM N#Cc1cc(C(F)(F)F)ccc1Nc1cc2ccc([O-])cc2oc1=O ZINC001201691504 1054890161 /nfs/dbraw/zinc/89/01/61/1054890161.db2.gz LBIPSAROVGWOKO-UHFFFAOYSA-N -1 1 346.264 4.133 20 30 EIEDMM [O-]c1ccc(F)c(C=NOCc2ccc(C(F)(F)F)cc2)c1F ZINC000794524352 1055195771 /nfs/dbraw/zinc/19/57/71/1055195771.db2.gz WWLJKQJSPDVMLZ-UHFFFAOYSA-N -1 1 331.240 4.240 20 30 EIEDMM Cc1cc(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)on1 ZINC000072728835 1056465191 /nfs/dbraw/zinc/46/51/91/1056465191.db2.gz VJAJRSSGCOEUCJ-LLVKDONJSA-N -1 1 343.452 4.320 20 30 EIEDMM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000767301961 1061186127 /nfs/dbraw/zinc/18/61/27/1061186127.db2.gz QDZHGRUACZSZNN-SFHVURJKSA-N -1 1 346.361 4.439 20 30 EIEDMM O=C([N-][C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)[C@@H]1CC1(F)F ZINC000450509281 1032536119 /nfs/dbraw/zinc/53/61/19/1032536119.db2.gz JDOOEHQBUNEFCJ-IUCAKERBSA-N -1 1 347.205 4.080 20 30 EIEDMM COc1ccc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c([O-])c1 ZINC000108981492 1019174535 /nfs/dbraw/zinc/17/45/35/1019174535.db2.gz WZRRDOTUALGSNE-LBPRGKRZSA-N -1 1 342.420 4.047 20 30 EIEDMM N#Cc1csc(C(=O)[N-]c2nc(-c3ccccc3Cl)ns2)c1 ZINC000084109613 1023265834 /nfs/dbraw/zinc/26/58/34/1023265834.db2.gz BOSFIDPGZHVECB-UHFFFAOYSA-N -1 1 346.824 4.044 20 30 EIEDMM CCOc1ccc(C#N)cc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000471868218 1024080624 /nfs/dbraw/zinc/08/06/24/1024080624.db2.gz GNWWWAHPFAHKON-UHFFFAOYSA-N -1 1 332.359 4.068 20 30 EIEDMM O=C(/C=C\c1ccc([O-])c(F)c1)c1ccc(Br)s1 ZINC000255506336 1026569091 /nfs/dbraw/zinc/56/90/91/1026569091.db2.gz VEXMHPJMKIRLCK-RQOWECAXSA-N -1 1 327.174 4.251 20 30 EIEDMM Cc1ccc([C@H](C)NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1C ZINC000331047841 1027916720 /nfs/dbraw/zinc/91/67/20/1027916720.db2.gz VVOITPRLVIDJOP-ZDUSSCGKSA-N -1 1 341.455 4.471 20 30 EIEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccnn2C2CCCC2)n1 ZINC000330102230 1028203236 /nfs/dbraw/zinc/20/32/36/1028203236.db2.gz FZPJWKASGAHQHF-ZDUSSCGKSA-N -1 1 328.441 4.068 20 30 EIEDMM CC[C@H](C)c1cc(C(=O)[N-]c2ccccc2SCCC#N)on1 ZINC000154981806 1028324009 /nfs/dbraw/zinc/32/40/09/1028324009.db2.gz NNVMOZZATUJUBC-LBPRGKRZSA-N -1 1 329.425 4.446 20 30 EIEDMM C[C@@H](Oc1ccccc1C#N)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445444514 1028573162 /nfs/dbraw/zinc/57/31/62/1028573162.db2.gz GKTZUHWSPZMHRW-SNVBAGLBSA-N -1 1 341.754 4.107 20 30 EIEDMM CCC(C)(C)c1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000475816553 1030663094 /nfs/dbraw/zinc/66/30/94/1030663094.db2.gz XSSBSUXZLIANGD-UHFFFAOYSA-N -1 1 342.464 4.241 20 30 EIEDMM Cc1ccnn1-c1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647374294 1030879815 /nfs/dbraw/zinc/87/98/15/1030879815.db2.gz ZVDAUBHXUKBXIJ-INIZCTEOSA-N -1 1 348.431 4.005 20 30 EIEDMM N#CC(=C([O-])c1cccc(OC(F)F)c1)c1nc(C2CC2)cs1 ZINC000647374489 1030882722 /nfs/dbraw/zinc/88/27/22/1030882722.db2.gz DWLMYDHBLAFSMK-LBPRGKRZSA-N -1 1 334.347 4.112 20 30 EIEDMM N#CC(=C([O-])c1cnc(CC2CC2)s1)c1ccc2ccccc2n1 ZINC000892428421 1030899600 /nfs/dbraw/zinc/89/96/00/1030899600.db2.gz ZFTFJHULSRECIR-AWEZNQCLSA-N -1 1 333.416 4.134 20 30 EIEDMM COCc1cccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)c1 ZINC000041534191 1031499820 /nfs/dbraw/zinc/49/98/20/1031499820.db2.gz FHWDJQRZURBVJZ-KRWDZBQOSA-N -1 1 348.427 4.447 20 30 EIEDMM Cc1ccc(Oc2ccc(NC(=O)c3cc([O-])cc(C#N)c3)cn2)cc1 ZINC000614298542 1033965488 /nfs/dbraw/zinc/96/54/88/1033965488.db2.gz SSIXRNZALMMPQW-UHFFFAOYSA-N -1 1 345.358 4.012 20 30 EIEDMM C[C@@]([N-]C(=O)CC(F)(F)C(F)(F)F)(c1ccccc1)C(F)(F)F ZINC001127175556 1036028606 /nfs/dbraw/zinc/02/86/06/1036028606.db2.gz NHYYNIAKBUNDLD-SNVBAGLBSA-N -1 1 349.221 4.168 20 30 EIEDMM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000055554758 1036141502 /nfs/dbraw/zinc/14/15/02/1036141502.db2.gz OWHKBXFWYFPIDG-UHFFFAOYSA-N -1 1 334.828 4.136 20 30 EIEDMM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589190852 1036705881 /nfs/dbraw/zinc/70/58/81/1036705881.db2.gz GKZDPSKDAVJJPX-LJQANCHMSA-N -1 1 336.435 4.056 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)c1 ZINC000589204986 1036711597 /nfs/dbraw/zinc/71/15/97/1036711597.db2.gz LPWRYHHRLUZKDK-UHFFFAOYSA-N -1 1 340.688 4.188 20 30 EIEDMM O=C(/C=C/c1ccc([O-])c(Cl)c1)c1cnn(Cc2ccccc2)c1 ZINC000157335244 1037444140 /nfs/dbraw/zinc/44/41/40/1037444140.db2.gz KTVUEVCJCFDQHJ-SOFGYWHQSA-N -1 1 338.794 4.187 20 30 EIEDMM C[C@H](CC(=O)Nc1n[n-]c(C(F)(F)F)n1)Cc1ccc(Cl)cc1 ZINC000091171924 1039343513 /nfs/dbraw/zinc/34/35/13/1039343513.db2.gz JEFVLCLVSWCMPD-QMMMGPOBSA-N -1 1 346.740 4.334 20 30 EIEDMM C=CCN(Cc1ccc(OC)cc1)[C@@H](C)c1cc(C(=O)[O-])c(C)o1 ZINC000519713164 1040835879 /nfs/dbraw/zinc/83/58/79/1040835879.db2.gz XTOKJYCNHWOFIR-ZDUSSCGKSA-N -1 1 329.396 4.044 20 30 EIEDMM COc1ccc([O-])c(C(=O)/C=C/c2nc3ccc(F)cc3s2)c1 ZINC000761480698 1042734060 /nfs/dbraw/zinc/73/40/60/1042734060.db2.gz SBQPKVNKJJJSLY-VOTSOKGWSA-N -1 1 329.352 4.046 20 30 EIEDMM CCC(CC)N=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000727058090 1043126948 /nfs/dbraw/zinc/12/69/48/1043126948.db2.gz GAKOTNZOVPNQMS-UHFFFAOYSA-N -1 1 331.441 4.075 20 30 EIEDMM CC(N=Nc1ccccc1C(=O)[O-])c1ccccc1OC(F)(F)F ZINC000730947134 1043657234 /nfs/dbraw/zinc/65/72/34/1043657234.db2.gz DTSDPEGENLXGPY-UHFFFAOYSA-N -1 1 338.285 4.120 20 30 EIEDMM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3sccc3C#N)s2)c1 ZINC000115149964 1043855890 /nfs/dbraw/zinc/85/58/90/1043855890.db2.gz GHQCOOGGPTXHHK-UHFFFAOYSA-N -1 1 340.433 4.007 20 30 EIEDMM C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442875032 1043873198 /nfs/dbraw/zinc/87/31/98/1043873198.db2.gz VEANIWZGIWKWKT-NSHDSACASA-N -1 1 348.324 4.116 20 30 EIEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cc(Cl)ccc1Cl ZINC000442857065 1043875920 /nfs/dbraw/zinc/87/59/20/1043875920.db2.gz SCKVDQXVFASNJY-VIFPVBQESA-N -1 1 335.190 4.062 20 30 EIEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000443417028 1044267947 /nfs/dbraw/zinc/26/79/47/1044267947.db2.gz JZXHAKGVHYQRRS-UHFFFAOYSA-N -1 1 341.354 4.023 20 30 EIEDMM O=C1c2ccc([O-])cc2C/C1=C\c1ccc(OCc2ccncc2)cc1 ZINC000187221515 1044397516 /nfs/dbraw/zinc/39/75/16/1044397516.db2.gz ZFPRESKQZIRZGF-WOJGMQOQSA-N -1 1 343.382 4.189 20 30 EIEDMM [O-]c1ccc(C=NNc2cc(F)c(F)cc2F)cc1Br ZINC000734301499 1044529145 /nfs/dbraw/zinc/52/91/45/1044529145.db2.gz BAWKZVWZAVBVIB-UHFFFAOYSA-N -1 1 345.118 4.018 20 30 EIEDMM Cc1ccc(-c2ncc(/C=C3\Oc4cc([O-])ccc4C3=O)s2)cc1 ZINC000734307373 1044529767 /nfs/dbraw/zinc/52/97/67/1044529767.db2.gz XSEDGKCJUOEXSI-MFOYZWKCSA-N -1 1 335.384 4.440 20 30 EIEDMM Cc1ccc(-c2ncc(/C=C3/Oc4cc([O-])ccc4C3=O)s2)cc1 ZINC000734307376 1044530996 /nfs/dbraw/zinc/53/09/96/1044530996.db2.gz XSEDGKCJUOEXSI-RQZCQDPDSA-N -1 1 335.384 4.440 20 30 EIEDMM N#Cc1ccsc1C(=O)[N-]c1nnc(-c2ccccc2Cl)s1 ZINC000052032595 1044734083 /nfs/dbraw/zinc/73/40/83/1044734083.db2.gz MHFHYLSBKACOES-UHFFFAOYSA-N -1 1 346.824 4.428 20 30 EIEDMM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000915180700 1045164028 /nfs/dbraw/zinc/16/40/28/1045164028.db2.gz REDVRHLVKLXCTK-IBGZPJMESA-N -1 1 344.370 4.006 20 30 EIEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000915186136 1045165642 /nfs/dbraw/zinc/16/56/42/1045165642.db2.gz IXVBYMYEEQYGBB-UHFFFAOYSA-N -1 1 345.423 4.040 20 30 EIEDMM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3nc(Cl)cs3)sc2C1 ZINC000790626051 1045550630 /nfs/dbraw/zinc/55/06/30/1045550630.db2.gz UITHRURKMRZPDE-ZETCQYMHSA-N -1 1 337.857 4.107 20 30 EIEDMM CCC(=NNc1ccc(C(=O)[O-])cc1)c1cccc(Br)c1 ZINC000916240914 1045960773 /nfs/dbraw/zinc/96/07/73/1045960773.db2.gz VNEBASPUKNGOCE-UHFFFAOYSA-N -1 1 347.212 4.374 20 30 EIEDMM CC(=NNc1ccnc(Br)c1)c1ccc([O-])c(Cl)c1 ZINC000769811830 1046080411 /nfs/dbraw/zinc/08/04/11/1046080411.db2.gz CDNDIKLLIPTPDV-UHFFFAOYSA-N -1 1 340.608 4.039 20 30 EIEDMM COc1ccccc1-c1ncc(/C=C/C(=O)c2cc(C)ccc2[O-])cn1 ZINC000792882870 1046091517 /nfs/dbraw/zinc/09/15/17/1046091517.db2.gz BRDBEUXRWVQWIH-CSKARUKUSA-N -1 1 346.386 4.062 20 30 EIEDMM COc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1-c1ccccn1 ZINC000162345978 1046181149 /nfs/dbraw/zinc/18/11/49/1046181149.db2.gz HKLBDQKQJBVBIX-OAHLLOKOSA-N -1 1 349.415 4.012 20 30 EIEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(OC(F)F)c2)n1 ZINC000080453795 1046620160 /nfs/dbraw/zinc/62/01/60/1046620160.db2.gz GQKNMASLSMXTCT-GFCCVEGCSA-N -1 1 336.363 4.358 20 30 EIEDMM Cc1cc(=O)[n-]c(NN=Cc2c(Cl)cccc2SC(C)C)n1 ZINC000786038570 1046804824 /nfs/dbraw/zinc/80/48/24/1046804824.db2.gz WMGJXPNUUPZSCI-UHFFFAOYSA-N -1 1 336.848 4.091 20 30 EIEDMM N#Cc1ccc(C(=O)[N-]c2cccc(Cl)c2SCC(F)F)o1 ZINC000814116555 1047858496 /nfs/dbraw/zinc/85/84/96/1047858496.db2.gz WGXSJLGGSIVIHX-UHFFFAOYSA-N -1 1 342.754 4.414 20 30 EIEDMM CCC(N=Nc1cccc(C(=O)[O-])c1)c1ccccc1OC(F)F ZINC000814687458 1048119580 /nfs/dbraw/zinc/11/95/80/1048119580.db2.gz JNRUEBBHKYCVFI-UHFFFAOYSA-N -1 1 334.322 4.212 20 30 EIEDMM O=C([O-])c1cccc(C=NNc2nc3ccccc3s2)c1Cl ZINC000814686572 1048120297 /nfs/dbraw/zinc/12/02/97/1048120297.db2.gz OYFOAGSMLODEKB-UHFFFAOYSA-N -1 1 331.784 4.094 20 30 EIEDMM C=C(C)COc1cccc(NC(=O)c2ccc3ccc(O)cc3c2[O-])c1 ZINC001143641724 1048130797 /nfs/dbraw/zinc/13/07/97/1048130797.db2.gz PTNLEVZZPQREKQ-UHFFFAOYSA-N -1 1 349.386 4.458 20 30 EIEDMM [O-]c1cccc(C=NNc2ccc(OC(F)(F)F)cc2)c1Cl ZINC000814793409 1048171192 /nfs/dbraw/zinc/17/11/92/1048171192.db2.gz ZTYXQJIIPCYRGF-UHFFFAOYSA-N -1 1 330.693 4.390 20 30 EIEDMM Cc1cccc(C(C)C)c1NN=C1CCCc2c(C#N)c(=O)[n-]cc21 ZINC000844595585 1048418417 /nfs/dbraw/zinc/41/84/17/1048418417.db2.gz BJHQZBUQWCMFHI-UHFFFAOYSA-N -1 1 334.423 4.243 20 30 EIEDMM CC(C)=CCOc1cccc(C([O-])=C(C#N)c2nc(C)cs2)c1 ZINC000076763188 1048941275 /nfs/dbraw/zinc/94/12/75/1048941275.db2.gz SSYOJGCVOUZIDT-INIZCTEOSA-N -1 1 326.421 4.287 20 30 EIEDMM COc1ccc(Br)c(/C=C\C(=O)c2ccc([O-])cc2)c1 ZINC000747699713 1049032685 /nfs/dbraw/zinc/03/26/85/1049032685.db2.gz VZASNTQENKZOBI-WTKPLQERSA-N -1 1 333.181 4.059 20 30 EIEDMM Cc1cccc(-c2ccc(CNC(=O)c3ccc(C#N)c([O-])c3)cc2)c1 ZINC001147593260 1049186229 /nfs/dbraw/zinc/18/62/29/1049186229.db2.gz DXSHJHXQJVIUFD-UHFFFAOYSA-N -1 1 342.398 4.169 20 30 EIEDMM CCOc1cc(/C=C2/Cc3ccc(C#N)cc3C2=O)cc(Cl)c1[O-] ZINC000811693940 1049233101 /nfs/dbraw/zinc/23/31/01/1049233101.db2.gz MVZFZNQDCASDKF-RZNTYIFUSA-N -1 1 339.778 4.138 20 30 EIEDMM N#Cc1ccc(NC(=O)c2cccc(Cc3ccc(F)cc3)c2)c([O-])c1 ZINC001185936798 1050189587 /nfs/dbraw/zinc/18/95/87/1050189587.db2.gz YZCVFUPFLNGOON-UHFFFAOYSA-N -1 1 346.361 4.246 20 30 EIEDMM N#Cc1ccc(NC(=O)c2ccc(Cc3ccccc3)cc2)c([O-])c1 ZINC001186548003 1050366917 /nfs/dbraw/zinc/36/69/17/1050366917.db2.gz GUICDOLXXJLHIX-UHFFFAOYSA-N -1 1 328.371 4.107 20 30 EIEDMM Cc1ccc(CCC(=O)Nc2ccc(C#N)cc2[O-])c2ccccc12 ZINC001178597630 1050514056 /nfs/dbraw/zinc/51/40/56/1050514056.db2.gz WYJUZMWTJSMQHJ-UHFFFAOYSA-N -1 1 330.387 4.297 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc3nc(C4CC4)sc3c2)c1 ZINC000618934020 1050586083 /nfs/dbraw/zinc/58/60/83/1050586083.db2.gz OKZPQUKNKBRGFZ-UHFFFAOYSA-N -1 1 335.388 4.003 20 30 EIEDMM Cc1ccc(C(C)C)c([O-])c1C(=O)Nc1c(C#N)ccc(F)c1F ZINC001188181509 1050716221 /nfs/dbraw/zinc/71/62/21/1050716221.db2.gz MIOZXJOINHJNQJ-UHFFFAOYSA-N -1 1 330.334 4.226 20 30 EIEDMM N#Cc1c[nH]c2cc(NC(=O)c3ccc([O-])c(C(F)(F)F)c3)ccc12 ZINC001188588442 1050811076 /nfs/dbraw/zinc/81/10/76/1050811076.db2.gz BOJVOLDRHDWFKQ-UHFFFAOYSA-N -1 1 345.280 4.016 20 30 EIEDMM Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000619782633 1050900375 /nfs/dbraw/zinc/90/03/75/1050900375.db2.gz HCXQNHMORHRVJS-UHFFFAOYSA-N -1 1 347.349 4.026 20 30 EIEDMM N#Cc1cc(F)c([N-]C(=O)c2cc(-c3cccs3)on2)c(Cl)c1 ZINC001189192423 1050921616 /nfs/dbraw/zinc/92/16/16/1050921616.db2.gz QOGATKRNJCLZGJ-UHFFFAOYSA-N -1 1 347.758 4.320 20 30 EIEDMM C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc([O-])c(C#N)c2)c1 ZINC001189270599 1050953855 /nfs/dbraw/zinc/95/38/55/1050953855.db2.gz LIYXATLVBDFKSW-UHFFFAOYSA-N -1 1 335.407 4.354 20 30 EIEDMM C=CC(C)(C)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC001190273383 1051143593 /nfs/dbraw/zinc/14/35/93/1051143593.db2.gz DHRQOQJCFFDPRT-UHFFFAOYSA-N -1 1 342.675 4.137 20 30 EIEDMM CC(C)(C)c1cc(C(=O)Nc2[nH]ccc2C#N)c([O-])c(C(C)(C)C)c1 ZINC001190956745 1051322161 /nfs/dbraw/zinc/32/21/61/1051322161.db2.gz GXPHHEAMFCPVIS-UHFFFAOYSA-N -1 1 339.439 4.439 20 30 EIEDMM N#Cc1ccc(NC(=O)C2c3ccccc3-c3ccccc32)c([O-])c1 ZINC001181916282 1051353455 /nfs/dbraw/zinc/35/34/55/1051353455.db2.gz XFUJIYPQYLXWCX-UHFFFAOYSA-N -1 1 326.355 4.015 20 30 EIEDMM C=CC[C@@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)c1ccccc1 ZINC001191157945 1051368710 /nfs/dbraw/zinc/36/87/10/1051368710.db2.gz HNZPSBDJVKMENH-OAHLLOKOSA-N -1 1 331.799 4.101 20 30 EIEDMM C#CCCCCCCCCC(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001182185942 1051415293 /nfs/dbraw/zinc/41/52/93/1051415293.db2.gz VGJGZBIIRJLLFY-UHFFFAOYSA-N -1 1 339.439 4.270 20 30 EIEDMM Cc1cc(C#N)cc([N-]S(=O)(=O)c2ccc(C)c3ccccc32)c1 ZINC001193861335 1052016869 /nfs/dbraw/zinc/01/68/69/1052016869.db2.gz COGPMDDQOVNLFV-UHFFFAOYSA-N -1 1 336.416 4.129 20 30 EIEDMM N#Cc1ccc(NC(=O)C2(CC3CC3)CCC(F)(F)CC2)c([O-])c1 ZINC001184664681 1052075672 /nfs/dbraw/zinc/07/56/72/1052075672.db2.gz KVEJQCQPTADARQ-UHFFFAOYSA-N -1 1 334.366 4.198 20 30 EIEDMM [O-]c1c(F)cc(F)c(Nc2c(F)c(F)c(F)c(F)c2F)c1F ZINC001176671718 1052159637 /nfs/dbraw/zinc/15/96/37/1052159637.db2.gz MNVKNAABKGOFCY-UHFFFAOYSA-N -1 1 329.146 4.249 20 30 EIEDMM O=C(/C=C/c1ccc([O-])c(F)c1)c1ccc(F)cc1OC(F)F ZINC000755600242 1053287111 /nfs/dbraw/zinc/28/71/11/1053287111.db2.gz HHZSYKYDXGSBJB-ORCRQEGFSA-N -1 1 326.245 4.168 20 30 EIEDMM Cc1c(Cl)c(C#N)ccc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC001195158982 1053308249 /nfs/dbraw/zinc/30/82/49/1053308249.db2.gz JDVVWVJDLYZIMO-UHFFFAOYSA-N -1 1 348.855 4.444 20 30 EIEDMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc([C@@H](C)C#N)cc2)c1 ZINC001195156779 1053310102 /nfs/dbraw/zinc/31/01/02/1053310102.db2.gz QERBEFRJSZCCON-AWEZNQCLSA-N -1 1 328.437 4.238 20 30 EIEDMM Cc1cccc(N)c1NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196318377 1053636956 /nfs/dbraw/zinc/63/69/56/1053636956.db2.gz FQKVWPOLCYMSSV-UHFFFAOYSA-N -1 1 343.386 4.074 20 30 EIEDMM CCCC(=O)Nc1cccc(N[C@@H](C)c2cccc(C#N)c2[O-])c1C ZINC000866316244 1053688275 /nfs/dbraw/zinc/68/82/75/1053688275.db2.gz PMTVGYWHJHNYQY-AWEZNQCLSA-N -1 1 337.423 4.484 20 30 EIEDMM CC(C)CC(=O)Nc1ccc(N[C@H](C)c2cccc(C#N)c2[O-])cc1 ZINC000866315632 1053688370 /nfs/dbraw/zinc/68/83/70/1053688370.db2.gz MSUQORSBGNRSRZ-CQSZACIVSA-N -1 1 337.423 4.422 20 30 EIEDMM C[C@@H](N[C@@H](C)c1nc(C(F)(F)F)cs1)c1cccc(C#N)c1[O-] ZINC000866348978 1053700631 /nfs/dbraw/zinc/70/06/31/1053700631.db2.gz FJVRUYZMKBIUFF-BDAKNGLRSA-N -1 1 341.358 4.151 20 30 EIEDMM O=C(/C=C\c1c(F)ccc([O-])c1F)c1ccc([N+](=O)[O-])cc1Cl ZINC000794945530 1053819055 /nfs/dbraw/zinc/81/90/55/1053819055.db2.gz MQOLKPGHKWKBMM-HYXAFXHYSA-N -1 1 339.681 4.128 20 30 EIEDMM CC(C)(C)c1cc([N-]C(=O)c2c(F)cc(C#N)cc2F)c(C#N)s1 ZINC000091209079 1055799491 /nfs/dbraw/zinc/79/94/91/1055799491.db2.gz AYWHWEUQKLHHPY-UHFFFAOYSA-N -1 1 345.374 4.319 20 30 EIEDMM O=C(/C=C/c1ccc([O-])c(Br)c1)c1ccc2c(c1)COC2 ZINC000742435806 1058631463 /nfs/dbraw/zinc/63/14/63/1058631463.db2.gz YYSMGYUBZFCJDV-ORCRQEGFSA-N -1 1 345.192 4.081 20 30 EIEDMM Cc1cc(CN=Nc2ccccc2C(=O)[O-])c(OC(F)F)cc1C ZINC000743429847 1058987356 /nfs/dbraw/zinc/98/73/56/1058987356.db2.gz BOXSZETXYNPNCK-UHFFFAOYSA-N -1 1 334.322 4.049 20 30 EIEDMM N#Cc1cccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000006707136 1020371849 /nfs/dbraw/zinc/37/18/49/1020371849.db2.gz YSCRVWOSMQRDAP-UHFFFAOYSA-N -1 1 334.400 4.026 20 30 EIEDMM N#Cc1c(F)c(Br)ccc1Nc1ccc(F)c([O-])c1 ZINC001211220178 1022232375 /nfs/dbraw/zinc/23/23/75/1022232375.db2.gz AFBOIIDOXGSPJM-UHFFFAOYSA-N -1 1 325.112 4.048 20 30 EIEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC[C@@H]1CCC[C@H](C)C1 ZINC000331038450 1027912882 /nfs/dbraw/zinc/91/28/82/1027912882.db2.gz ORNMZTBFCULTGX-JSGCOSHPSA-N -1 1 333.476 4.309 20 30 EIEDMM N#Cc1c2c(sc1[N-]C(=O)c1cc(C3CC3)no1)CCCCC2 ZINC000281550784 1028782319 /nfs/dbraw/zinc/78/23/19/1028782319.db2.gz YWLIPROOOZLVGR-UHFFFAOYSA-N -1 1 327.409 4.006 20 30 EIEDMM Cc1csc(C(C#N)=C([O-])c2ccc(N(C)c3ccccc3)nc2)n1 ZINC000181390581 1029895219 /nfs/dbraw/zinc/89/52/19/1029895219.db2.gz ZIAIZCKCYGQGDN-INIZCTEOSA-N -1 1 348.431 4.105 20 30 EIEDMM O=C1c2ccc(Br)cc2C/C1=C/c1ccc([O-])c(F)c1 ZINC000760230878 1030506353 /nfs/dbraw/zinc/50/63/53/1030506353.db2.gz YNFYDUBELPWFSP-WZUFQYTHSA-N -1 1 333.156 4.116 20 30 EIEDMM CCc1cc(=O)[n-]c(SCc2ccc(-c3ccccc3C#N)cc2)n1 ZINC000188117050 1030785612 /nfs/dbraw/zinc/78/56/12/1030785612.db2.gz BRFRKHJUZIDIBI-UHFFFAOYSA-N -1 1 347.443 4.163 20 30 EIEDMM COCc1ccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cc1 ZINC000041534754 1031498774 /nfs/dbraw/zinc/49/87/74/1031498774.db2.gz WQGYOUZBGKPHTN-QGZVFWFLSA-N -1 1 348.427 4.447 20 30 EIEDMM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2cc([O-])cc(C#N)c2)o1 ZINC000614300870 1033976143 /nfs/dbraw/zinc/97/61/43/1033976143.db2.gz XWZWXMRTTBNTDY-ACJLOTCBSA-N -1 1 338.407 4.033 20 30 EIEDMM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614364091 1034471777 /nfs/dbraw/zinc/47/17/77/1034471777.db2.gz NZVVZIQOARNOQX-UHFFFAOYSA-N -1 1 349.217 4.233 20 30 EIEDMM N#CCc1cccc(S(=O)(=O)[N-]c2cccc(-c3ccccc3)c2)c1 ZINC000588852254 1036556637 /nfs/dbraw/zinc/55/66/37/1036556637.db2.gz ISQAZJHCTZUFGZ-UHFFFAOYSA-N -1 1 348.427 4.220 20 30 EIEDMM Cc1sc([N-]C(=O)c2cc(-c3ccc(C)cc3)no2)c(C#N)c1C ZINC000603615410 1036898570 /nfs/dbraw/zinc/89/85/70/1036898570.db2.gz WHBNXLKUQBJDGP-UHFFFAOYSA-N -1 1 337.404 4.452 20 30 EIEDMM CCOc1cc(/C=C2/Oc3ccc(F)cc3C2=O)cc(Cl)c1[O-] ZINC000749747126 1040283075 /nfs/dbraw/zinc/28/30/75/1040283075.db2.gz VVYZPBHZDKNMSB-VIZOYTHASA-N -1 1 334.730 4.200 20 30 EIEDMM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442857063 1040364000 /nfs/dbraw/zinc/36/40/00/1040364000.db2.gz SCISZTHOYZUMOD-NSHDSACASA-N -1 1 348.324 4.116 20 30 EIEDMM C[C@@H](c1ccccc1Cl)N(C(=O)c1ccc(C#N)c([O-])c1)C1CC1 ZINC000443334402 1041466043 /nfs/dbraw/zinc/46/60/43/1041466043.db2.gz MDRHIYOTPXKFDC-LBPRGKRZSA-N -1 1 340.810 4.283 20 30 EIEDMM Cc1csc(C(C#N)=C([O-])c2ccc(C(F)(F)F)c(F)c2)n1 ZINC000190638461 1042872782 /nfs/dbraw/zinc/87/27/82/1042872782.db2.gz RCPNXTWGWYDMAV-SECBINFHSA-N -1 1 328.290 4.100 20 30 EIEDMM COc1ccc(/C=C2/CCc3cc([O-])ccc3C2=O)c(Cl)c1OC ZINC000730437216 1042878861 /nfs/dbraw/zinc/87/88/61/1042878861.db2.gz QYCIMUCFCIYOBJ-LCYFTJDESA-N -1 1 344.794 4.275 20 30 EIEDMM C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1cccc([O-])c1Cl ZINC000507876543 1043168440 /nfs/dbraw/zinc/16/84/40/1043168440.db2.gz KOADYVBAZVBBIH-UHFFFAOYSA-N -1 1 332.787 4.142 20 30 EIEDMM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccc(Oc2ccccc2)o1 ZINC000176530999 1043537371 /nfs/dbraw/zinc/53/73/71/1043537371.db2.gz NFIODNCJQAQQNU-MRXNPFEDSA-N -1 1 346.342 4.033 20 30 EIEDMM CCCN(Cc1c(F)cccc1Cl)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442878303 1043879643 /nfs/dbraw/zinc/87/96/43/1043879643.db2.gz SPYWFOMKWHLFBI-UHFFFAOYSA-N -1 1 346.789 4.109 20 30 EIEDMM C=C(C)COc1cccc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)c1 ZINC000442970917 1043931160 /nfs/dbraw/zinc/93/11/60/1043931160.db2.gz WPRSNWCFBFLTBI-UHFFFAOYSA-N -1 1 347.798 4.261 20 30 EIEDMM Cc1cc(CN=Nc2ccccc2C(=O)[O-])ccc1Oc1cccnc1 ZINC000732712044 1043983836 /nfs/dbraw/zinc/98/38/36/1043983836.db2.gz ZUXICXIJZDQVIY-UHFFFAOYSA-N -1 1 347.374 4.327 20 30 EIEDMM O=C1c2ccc([O-])cc2O/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000733805563 1044312308 /nfs/dbraw/zinc/31/23/08/1044312308.db2.gz LMZNEUCWCIPLID-VCHYOVAHSA-N -1 1 349.298 4.177 20 30 EIEDMM CCN(C(=O)c1ccc(Cl)cc1[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000124612387 1044876002 /nfs/dbraw/zinc/87/60/02/1044876002.db2.gz HDHUCLRXZDIPIF-LBPRGKRZSA-N -1 1 328.799 4.141 20 30 EIEDMM N#CC(=C([O-])c1coc(Br)c1)c1nccc2ccccc21 ZINC000361531121 1045077614 /nfs/dbraw/zinc/07/76/14/1045077614.db2.gz OZARZWFOQWUMEJ-CYBMUJFWSA-N -1 1 341.164 4.080 20 30 EIEDMM N#Cc1c(F)c(Br)ccc1Nc1ccc([O-])c(F)c1F ZINC001212013968 1045835234 /nfs/dbraw/zinc/83/52/34/1045835234.db2.gz SAHLGMDILUDHCB-UHFFFAOYSA-N -1 1 343.102 4.187 20 30 EIEDMM N#Cc1cccc(Nc2ccc([O-])c(F)c2F)c1Br ZINC001212014002 1045835733 /nfs/dbraw/zinc/83/57/33/1045835733.db2.gz UTHWGVSWLSPAHC-UHFFFAOYSA-N -1 1 325.112 4.048 20 30 EIEDMM C=CCCCCCCC[N-]S(=O)(=O)c1c(F)cc(C)cc1F ZINC001212064029 1045889011 /nfs/dbraw/zinc/88/90/11/1045889011.db2.gz KPKDPDFBZZPHLG-UHFFFAOYSA-N -1 1 331.428 4.078 20 30 EIEDMM COC(=O)c1ccc(-c2ccc(/C=C/C(=O)c3ccc([O-])cc3)o2)cc1 ZINC000916134821 1045935077 /nfs/dbraw/zinc/93/50/77/1045935077.db2.gz HGYNONPIEHXDMF-ZRDIBKRKSA-N -1 1 348.354 4.335 20 30 EIEDMM C=CC(C)(C)CC[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC001213218370 1046073130 /nfs/dbraw/zinc/07/31/30/1046073130.db2.gz PTMDIMXYHKKUDG-UHFFFAOYSA-N -1 1 343.901 4.435 20 30 EIEDMM CC[C@@H](NN=C(C)c1ccc2c(c1)Nc1ccccc1S2)C(=O)[O-] ZINC000793074029 1046134564 /nfs/dbraw/zinc/13/45/64/1046134564.db2.gz ZSAIVVBFWJBCEH-CYBMUJFWSA-N -1 1 341.436 4.072 20 30 EIEDMM O=C(/C=C/c1ccc([O-])c(F)c1)c1cc(Br)ccc1F ZINC000179330243 1046317865 /nfs/dbraw/zinc/31/78/65/1046317865.db2.gz NFAKHKQBXAXNIP-ORCRQEGFSA-N -1 1 339.135 4.329 20 30 EIEDMM COc1ccc2c(c1)C(=O)/C(=C\c1ccc([O-])c(Cl)c1)CS2 ZINC000786053387 1046805727 /nfs/dbraw/zinc/80/57/27/1046805727.db2.gz RROUNXFJBIKBHY-WDZFZDKYSA-N -1 1 332.808 4.426 20 30 EIEDMM O=C1c2ccc([O-])cc2CC/C1=C\c1ncc(C(F)(F)F)s1 ZINC000788356147 1047171210 /nfs/dbraw/zinc/17/12/10/1047171210.db2.gz RLNHCLQFCJNVIF-RMKNXTFCSA-N -1 1 325.311 4.080 20 30 EIEDMM C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1nc(Cl)cs1 ZINC000789937072 1047491928 /nfs/dbraw/zinc/49/19/28/1047491928.db2.gz CYTMCMYQGXPAJV-VIFPVBQESA-N -1 1 337.857 4.443 20 30 EIEDMM CC[C@H]1CCC1N=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000807967935 1047549975 /nfs/dbraw/zinc/54/99/75/1047549975.db2.gz FICXPQRLJXIICL-AWEZNQCLSA-N -1 1 343.452 4.075 20 30 EIEDMM O=C([O-])c1ccc2c(c1)CCCC2=NN=c1ccc2ccccc2[nH]1 ZINC000814697456 1048127882 /nfs/dbraw/zinc/12/78/82/1048127882.db2.gz PBPGAWDOSQPAHU-UHFFFAOYSA-N -1 1 331.375 4.086 20 30 EIEDMM [O-]c1cccc(C=NNCc2cccc(Cl)c2Cl)c1Cl ZINC000814912817 1048255664 /nfs/dbraw/zinc/25/56/64/1048255664.db2.gz BODJDUDBPNHAEH-UHFFFAOYSA-N -1 1 329.614 4.476 20 30 EIEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc([O-])c1F ZINC001146421110 1049023480 /nfs/dbraw/zinc/02/34/80/1049023480.db2.gz VTBPZIAPUIGJGQ-LLVKDONJSA-N -1 1 330.384 4.178 20 30 EIEDMM N#CC(=C([O-])C=Cc1cccc(F)c1)c1cc(C(F)(F)F)ccn1 ZINC000813215891 1049709311 /nfs/dbraw/zinc/70/93/11/1049709311.db2.gz CLLAZZRPWDNUND-ZRUQZJFASA-N -1 1 334.272 4.129 20 30 EIEDMM CCCCCCCCC[C@@H](CCC)Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001173284445 1050410913 /nfs/dbraw/zinc/41/09/13/1050410913.db2.gz HFLRJXRCFFJFJO-CYBMUJFWSA-N -1 1 349.479 4.437 20 30 EIEDMM CCCCCCCCS(=O)(=O)Nc1cc([O-])c(Cl)cc1F ZINC001188012610 1050677922 /nfs/dbraw/zinc/67/79/22/1050677922.db2.gz DTWNFFRPRWQBAI-UHFFFAOYSA-N -1 1 337.844 4.287 20 30 EIEDMM Cc1ccc(-c2ccc(C)c(NC(=O)c3cc([O-])cc(C#N)c3)c2)o1 ZINC000619450778 1050790620 /nfs/dbraw/zinc/79/06/20/1050790620.db2.gz FLIUTGGQGDNJFU-UHFFFAOYSA-N -1 1 332.359 4.393 20 30 EIEDMM C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1[O-])c1ccc(C#N)cc1 ZINC001182797131 1051699078 /nfs/dbraw/zinc/69/90/78/1051699078.db2.gz DIFQPRQSFXOOTL-SNVBAGLBSA-N -1 1 334.297 4.025 20 30 EIEDMM N#Cc1cc(F)c([N-]C(=O)c2nc(C(F)(F)F)cs2)c(Cl)c1 ZINC001192459077 1051741805 /nfs/dbraw/zinc/74/18/05/1051741805.db2.gz YXMUHUSIUXIPIQ-UHFFFAOYSA-N -1 1 349.696 4.078 20 30 EIEDMM CC[C@H](C)C[C@H](C)NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196321175 1053636575 /nfs/dbraw/zinc/63/65/75/1053636575.db2.gz VWVXLOORWDISTL-GJZGRUSLSA-N -1 1 336.435 4.485 20 30 EIEDMM CC[C@@H](C)C[C@H](C)NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196321174 1053636915 /nfs/dbraw/zinc/63/69/15/1053636915.db2.gz VWVXLOORWDISTL-CABCVRRESA-N -1 1 336.435 4.485 20 30 EIEDMM N#Cc1ccccc1NC(=S)Nc1cc(Cl)c(Cl)cc1[O-] ZINC001196322865 1053638578 /nfs/dbraw/zinc/63/85/78/1053638578.db2.gz WXLDDXVFFACECE-UHFFFAOYSA-N -1 1 338.219 4.380 20 30 EIEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc3cc(Cl)ccc3c2)cc1 ZINC001196411583 1053666188 /nfs/dbraw/zinc/66/61/88/1053666188.db2.gz AESHHAOEOKJWTP-UHFFFAOYSA-N -1 1 342.807 4.166 20 30 EIEDMM C[C@H](N[C@@H](C)c1cccc(C#N)c1[O-])c1nc(C(F)(F)F)cs1 ZINC000866348980 1053699200 /nfs/dbraw/zinc/69/92/00/1053699200.db2.gz FJVRUYZMKBIUFF-IUCAKERBSA-N -1 1 341.358 4.151 20 30 EIEDMM N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1cccc(Cl)c1[O-] ZINC000775735740 1053727719 /nfs/dbraw/zinc/72/77/19/1053727719.db2.gz TVHDPMKPECIURF-AEFFLSMTSA-N -1 1 326.827 4.317 20 30 EIEDMM CC(C)(C)c1ccc(NC(=S)Nc2scc([O-])c2C#N)cc1 ZINC001198468145 1054154538 /nfs/dbraw/zinc/15/45/38/1054154538.db2.gz IUGVPZWZVCGZHP-UHFFFAOYSA-N -1 1 331.466 4.432 20 30 EIEDMM N#Cc1c([O-])csc1NC(=O)Nc1c(Cl)cccc1Cl ZINC001202092580 1055027496 /nfs/dbraw/zinc/02/74/96/1055027496.db2.gz ADTZHJOANLLAAT-UHFFFAOYSA-N -1 1 328.180 4.276 20 30 EIEDMM N#Cc1c([O-])csc1NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC001202256609 1055100279 /nfs/dbraw/zinc/10/02/79/1055100279.db2.gz DBUBVXOPVBTYBD-UHFFFAOYSA-N -1 1 328.180 4.276 20 30 EIEDMM N#Cc1ccsc1C(=O)[N-]c1nc(-c2ccccc2Cl)ns1 ZINC000110381498 1056623034 /nfs/dbraw/zinc/62/30/34/1056623034.db2.gz NSMQTJYOLMKTSE-UHFFFAOYSA-N -1 1 346.824 4.044 20 30 EIEDMM CC(N=Nc1ccc(C(=O)[O-])cc1)c1ccc(-c2ccncc2)cc1 ZINC000745193547 1059788718 /nfs/dbraw/zinc/78/87/18/1059788718.db2.gz YMLGWKYOHRPBTC-UHFFFAOYSA-N -1 1 331.375 4.283 20 30 EIEDMM C[C@@H]1CC(=O)C=C(Nc2cc(Br)cc(Cl)c2[O-])C1 ZINC001210774967 1021656959 /nfs/dbraw/zinc/65/69/59/1021656959.db2.gz CSZXRSOUFKDUHH-ZETCQYMHSA-N -1 1 330.609 4.103 20 30 EIEDMM CCOc1cc(/C=C\C(=O)c2cccc(C#N)c2)cc(Cl)c1[O-] ZINC000255203557 1021981399 /nfs/dbraw/zinc/98/13/99/1021981399.db2.gz CUXCQQGHYYTFDI-SREVYHEPSA-N -1 1 327.767 4.212 20 30 EIEDMM N#CC(=C([O-])c1cccc(N2CCCC2)c1)c1nc2ccccc2s1 ZINC000659011777 1022632613 /nfs/dbraw/zinc/63/26/13/1022632613.db2.gz LZUMJALBJIGRKW-MRXNPFEDSA-N -1 1 347.443 4.387 20 30 EIEDMM Cc1c(-c2ccccc2)nc(S[C@H](C)c2cccc(C#N)c2)[n-]c1=O ZINC000189880749 1023165586 /nfs/dbraw/zinc/16/55/86/1023165586.db2.gz CHHKLJKFQTTZCO-CQSZACIVSA-N -1 1 347.443 4.470 20 30 EIEDMM C=CC[C@H](CC)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC001211679923 1024808367 /nfs/dbraw/zinc/80/83/67/1024808367.db2.gz XNUVEJYWXIBCAS-JTQLQIEISA-N -1 1 329.874 4.188 20 30 EIEDMM N#CC(=C([O-])c1ccc2c(c1)COC2)c1nc(-c2ccccc2)cs1 ZINC000050206238 1026077396 /nfs/dbraw/zinc/07/73/96/1026077396.db2.gz KAYQCYNQSJBSRE-QGZVFWFLSA-N -1 1 346.411 4.330 20 30 EIEDMM CCSCc1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)cc1 ZINC000342834119 1027224293 /nfs/dbraw/zinc/22/42/93/1027224293.db2.gz NXTXMTNVRBKHOR-INIZCTEOSA-N -1 1 349.459 4.316 20 30 EIEDMM C=CCCCS(=O)(=O)[N-]c1cc(Cl)ccc1C(F)(F)F ZINC000427801098 1029069345 /nfs/dbraw/zinc/06/93/45/1029069345.db2.gz TZXYTDVNNNVCOJ-UHFFFAOYSA-N -1 1 327.755 4.067 20 30 EIEDMM C=C[C@@H](CC(=O)OC(C)(C)C)Oc1cc(Cl)c([O-])cc1Cl ZINC001227642084 1029513312 /nfs/dbraw/zinc/51/33/12/1029513312.db2.gz VKRGJHCQKKSGFP-VIFPVBQESA-N -1 1 333.211 4.364 20 30 EIEDMM CC(C)Oc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cc1C#N ZINC000527167959 1030536401 /nfs/dbraw/zinc/53/64/01/1030536401.db2.gz KRORXGZKTZTPGH-UHFFFAOYSA-N -1 1 346.386 4.457 20 30 EIEDMM N#Cc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)cc1[O-] ZINC000527488422 1030723841 /nfs/dbraw/zinc/72/38/41/1030723841.db2.gz YFLXOUJGZYQCOZ-XUVXKRRUSA-N -1 1 346.430 4.062 20 30 EIEDMM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000191217112 1030802681 /nfs/dbraw/zinc/80/26/81/1030802681.db2.gz MHJUKYMFVUROMT-OALUTQOASA-N -1 1 334.419 4.062 20 30 EIEDMM N#CC(=C([O-])c1cccc(Br)c1)c1nc(C2CC2)cs1 ZINC000647374354 1030880752 /nfs/dbraw/zinc/88/07/52/1030880752.db2.gz AHWXJSZAQBLYRU-GFCCVEGCSA-N -1 1 347.237 4.273 20 30 EIEDMM Cc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)ccc1-n1cccn1 ZINC000647380339 1030911552 /nfs/dbraw/zinc/91/15/52/1030911552.db2.gz FETOQZDJWCNONE-HNNXBMFYSA-N -1 1 348.431 4.005 20 30 EIEDMM Cc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1C ZINC000128846633 1031761068 /nfs/dbraw/zinc/76/10/68/1031761068.db2.gz GNJRNZWIKJRYIF-MRXNPFEDSA-N -1 1 333.416 4.312 20 30 EIEDMM COc1cc(/C=C2\Oc3c(cccc3Cl)C2=O)cc(Cl)c1[O-] ZINC000729149785 1034728768 /nfs/dbraw/zinc/72/87/68/1034728768.db2.gz GNKQAZVQOKARJA-QPEQYQDCSA-N -1 1 337.158 4.324 20 30 EIEDMM CC1(C)CCc2sc([N-]C(=O)c3nc(Cl)cs3)c(C#N)c21 ZINC000906262798 1036190668 /nfs/dbraw/zinc/19/06/68/1036190668.db2.gz NROKRMORKFGUOA-UHFFFAOYSA-N -1 1 337.857 4.206 20 30 EIEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1cc(Cl)ccc1Cl ZINC000589167966 1036680381 /nfs/dbraw/zinc/68/03/81/1036680381.db2.gz KLYADWHRGXTBHZ-VIFPVBQESA-N -1 1 335.190 4.062 20 30 EIEDMM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589167941 1036682257 /nfs/dbraw/zinc/68/22/57/1036682257.db2.gz GSWGPLGSQUPTPW-NSHDSACASA-N -1 1 348.324 4.116 20 30 EIEDMM CCOc1cc(-c2noc(CCCCCC#N)n2)cc(Cl)c1[O-] ZINC000589146547 1036686962 /nfs/dbraw/zinc/68/69/62/1036686962.db2.gz HYODJWBMOJVDCN-UHFFFAOYSA-N -1 1 335.791 4.121 20 30 EIEDMM CC(C)(C)[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(F)cc1F ZINC000589190708 1036705076 /nfs/dbraw/zinc/70/50/76/1036705076.db2.gz JXNSRMOCVLOVPT-KRWDZBQOSA-N -1 1 344.361 4.059 20 30 EIEDMM CCCCCCCCCCNC(=O)c1c[nH]c2ccccc2c1=O ZINC001127027468 1037074958 /nfs/dbraw/zinc/07/49/58/1037074958.db2.gz CJIWQUGMMUBHOX-UHFFFAOYSA-N -1 1 328.456 4.399 20 30 EIEDMM Cc1noc(C(F)F)c1C(=O)[N-]c1scc(C(C)(C)C)c1C#N ZINC000590997581 1037251898 /nfs/dbraw/zinc/25/18/98/1037251898.db2.gz TXRDJSXKCUJQOA-UHFFFAOYSA-N -1 1 339.367 4.404 20 30 EIEDMM COCc1ccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cc1 ZINC000592974623 1037883185 /nfs/dbraw/zinc/88/31/85/1037883185.db2.gz VTVNEXZHFOWBPI-AWEZNQCLSA-N -1 1 340.379 4.072 20 30 EIEDMM N#CC(=C([O-])c1cccc2c1CCC2)c1nc2cc(F)ccc2s1 ZINC000592974192 1037885201 /nfs/dbraw/zinc/88/52/01/1037885201.db2.gz OVJFYTXNZJPASY-HNNXBMFYSA-N -1 1 336.391 4.414 20 30 EIEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(Cl)c1Cl ZINC000442977761 1040464154 /nfs/dbraw/zinc/46/41/54/1040464154.db2.gz WETJWUNGSJIYTI-VIFPVBQESA-N -1 1 335.190 4.062 20 30 EIEDMM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc2ccccc2c1[O-] ZINC000436657986 1041397503 /nfs/dbraw/zinc/39/75/03/1041397503.db2.gz KGLJREILVQBSJJ-UHFFFAOYSA-N -1 1 344.414 4.468 20 30 EIEDMM Cc1cccc(S(=O)(=O)[N-]c2ccccc2SC[C@@H](C)C#N)c1 ZINC000170975805 1042882967 /nfs/dbraw/zinc/88/29/67/1042882967.db2.gz VFANDQHPCHRJJL-AWEZNQCLSA-N -1 1 346.477 4.048 20 30 EIEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cccc(-c2ccccc2)c1 ZINC000507949890 1043207955 /nfs/dbraw/zinc/20/79/55/1043207955.db2.gz OPDDEQFDYWRYMS-UHFFFAOYSA-N -1 1 348.427 4.335 20 30 EIEDMM CC(=NNc1nc2ccccc2n1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000727650958 1043257584 /nfs/dbraw/zinc/25/75/84/1043257584.db2.gz CTYSKKKQKHABQO-UHFFFAOYSA-N -1 1 349.221 4.422 20 30 EIEDMM N#CC(=C([O-])c1cc[nH]c1C1CC1)c1nc2cc(F)ccc2s1 ZINC000672583959 1043296423 /nfs/dbraw/zinc/29/64/23/1043296423.db2.gz TVHKRRFTGXYUPK-GFCCVEGCSA-N -1 1 325.368 4.131 20 30 EIEDMM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442866835 1043869145 /nfs/dbraw/zinc/86/91/45/1043869145.db2.gz MWKDNZADYNZLOQ-SNVBAGLBSA-N -1 1 349.217 4.404 20 30 EIEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccccc1SC ZINC000443420611 1044271505 /nfs/dbraw/zinc/27/15/05/1044271505.db2.gz ULPSBBBYFNDBRO-UHFFFAOYSA-N -1 1 333.478 4.328 20 30 EIEDMM N#Cc1c(F)c(Br)ccc1Nc1cccc([O-])c1F ZINC001212552281 1044290859 /nfs/dbraw/zinc/29/08/59/1044290859.db2.gz JTHYBWGUSYCNOB-UHFFFAOYSA-N -1 1 325.112 4.048 20 30 EIEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccc(-c2ccco2)s1 ZINC000675906178 1044574325 /nfs/dbraw/zinc/57/43/25/1044574325.db2.gz OBAPECSKOQKKPI-GFCCVEGCSA-N -1 1 347.399 4.385 20 30 EIEDMM C=CCCCCCCCNC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001141777509 1044650023 /nfs/dbraw/zinc/65/00/23/1044650023.db2.gz JSKUHBXQWOSCBU-UHFFFAOYSA-N -1 1 330.403 4.336 20 30 EIEDMM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1cccc([O-])c1Cl ZINC000509005798 1044901029 /nfs/dbraw/zinc/90/10/29/1044901029.db2.gz FKKLZDGDWOHPHR-IRXDYDNUSA-N -1 1 326.827 4.317 20 30 EIEDMM N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1cccc([O-])c1Cl ZINC000509005704 1044901799 /nfs/dbraw/zinc/90/17/99/1044901799.db2.gz FKKLZDGDWOHPHR-IAGOWNOFSA-N -1 1 326.827 4.317 20 30 EIEDMM Cc1csc(C(C#N)=C([O-])c2cccc(OC3CCCC3)c2)n1 ZINC000066723059 1045730590 /nfs/dbraw/zinc/73/05/90/1045730590.db2.gz IAWZKJIXQRBVKO-MRXNPFEDSA-N -1 1 326.421 4.263 20 30 EIEDMM N#Cc1cc(Br)cc(Nc2ccc([O-])c(F)c2F)c1 ZINC001212008759 1045830242 /nfs/dbraw/zinc/83/02/42/1045830242.db2.gz CJRSFRAXBHOPCZ-UHFFFAOYSA-N -1 1 325.112 4.048 20 30 EIEDMM CC(=NNc1c(F)cc(F)cc1Br)c1sccc1[O-] ZINC000769792913 1046074073 /nfs/dbraw/zinc/07/40/73/1046074073.db2.gz WYYIBDPFUHOIFX-UHFFFAOYSA-N -1 1 347.184 4.331 20 30 EIEDMM COc1ccccc1-c1ncc(/C=C\C(=O)c2cc(C)ccc2[O-])cn1 ZINC000792882873 1046090996 /nfs/dbraw/zinc/09/09/96/1046090996.db2.gz BRDBEUXRWVQWIH-NTMALXAHSA-N -1 1 346.386 4.062 20 30 EIEDMM C[C@H]1CCC(N=Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000814829729 1048187911 /nfs/dbraw/zinc/18/79/11/1048187911.db2.gz HOFHHPXXIBGXQR-AWEZNQCLSA-N -1 1 343.452 4.075 20 30 EIEDMM N#CCCCOc1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816523408 1048830189 /nfs/dbraw/zinc/83/01/89/1048830189.db2.gz OSVPHAHKDKTQMS-UHFFFAOYSA-N -1 1 334.778 4.479 20 30 EIEDMM N#CCCC[C@@H](NC(=O)c1c([O-])cccc1Cl)c1ccccc1 ZINC000817320179 1048940567 /nfs/dbraw/zinc/94/05/67/1048940567.db2.gz ZPOCWNYZADSWBG-OAHLLOKOSA-N -1 1 328.799 4.211 20 30 EIEDMM O=C(Nc1cccc(C#Cc2cccs2)c1)c1ccc([O-])c(F)c1 ZINC001136146249 1049160267 /nfs/dbraw/zinc/16/02/67/1049160267.db2.gz QDKBARIBLABXSV-UHFFFAOYSA-N -1 1 337.375 4.245 20 30 EIEDMM Nc1c(Cl)cc(C(=O)/C=C\c2ccc([O-])c(F)c2)cc1Cl ZINC000773159227 1049620024 /nfs/dbraw/zinc/62/00/24/1049620024.db2.gz GRLVHSXURRWBQP-IWQZZHSRSA-N -1 1 326.154 4.316 20 30 EIEDMM CCC1(Cc2ccccc2)CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000619457156 1050787451 /nfs/dbraw/zinc/78/74/51/1050787451.db2.gz AOZFNDAZBCUXBC-UHFFFAOYSA-N -1 1 348.446 4.139 20 30 EIEDMM CCCCOc1ccc(NC(=O)Nc2ccc([O-])c(C#N)c2)cc1 ZINC001189314914 1050959534 /nfs/dbraw/zinc/95/95/34/1050959534.db2.gz CJZRECDNBZKMDT-UHFFFAOYSA-N -1 1 325.368 4.087 20 30 EIEDMM Cc1cc(SCC(=O)Nc2ccc(C#N)cc2[O-])c(C)cc1Cl ZINC001181523847 1051255870 /nfs/dbraw/zinc/25/58/70/1051255870.db2.gz SDAKREXQMDPQQQ-UHFFFAOYSA-N -1 1 346.839 4.265 20 30 EIEDMM C=CCC1(S(=O)(=O)[N-]c2cc(-c3ccccc3)cc(Cl)n2)CC1 ZINC001190776459 1051275514 /nfs/dbraw/zinc/27/55/14/1051275514.db2.gz IDZCXAUZJNYGDF-UHFFFAOYSA-N -1 1 348.855 4.252 20 30 EIEDMM N#Cc1ccc(Br)cc1Nc1c(F)ccc([O-])c1F ZINC001175264850 1051501771 /nfs/dbraw/zinc/50/17/71/1051501771.db2.gz JRKUOKVHRYLLHA-UHFFFAOYSA-N -1 1 325.112 4.048 20 30 EIEDMM N#Cc1ccc(Nc2c(F)ccc([O-])c2F)c(OC(F)(F)F)c1 ZINC001175266383 1051504088 /nfs/dbraw/zinc/50/40/88/1051504088.db2.gz ZHTIAVSERLFYIK-UHFFFAOYSA-N -1 1 330.212 4.184 20 30 EIEDMM N#Cc1oc2ccccc2c1NC(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193735572 1051977024 /nfs/dbraw/zinc/97/70/24/1051977024.db2.gz QUCAXORZXLNDLJ-UHFFFAOYSA-N -1 1 346.264 4.281 20 30 EIEDMM CSc1cc(C)nc(SC)c1[N-]C(=O)c1cc(C)cc(C#N)c1 ZINC001195401807 1053388207 /nfs/dbraw/zinc/38/82/07/1053388207.db2.gz GPLZZOXOGAIVAU-UHFFFAOYSA-N -1 1 343.477 4.266 20 30 EIEDMM COc1cc(OC)c(C(=O)/C=C/c2ccc([O-])c(F)c2)cc1Cl ZINC000120809310 1053620068 /nfs/dbraw/zinc/62/00/68/1053620068.db2.gz SHKVMDGALKSTEG-HWKANZROSA-N -1 1 336.746 4.098 20 30 EIEDMM Cc1ccc(NC(=O)C(C)C)cc1N[C@H](C)c1cccc(C#N)c1[O-] ZINC000866316536 1053688510 /nfs/dbraw/zinc/68/85/10/1053688510.db2.gz RPAXXLRNMLQAIO-CQSZACIVSA-N -1 1 337.423 4.340 20 30 EIEDMM N#Cc1ccc(C(=O)/C=C/c2ccc([O-])c(Br)c2)cc1F ZINC000776726923 1053803632 /nfs/dbraw/zinc/80/36/32/1053803632.db2.gz QNIOAPDUCNEKIQ-ORCRQEGFSA-N -1 1 346.155 4.062 20 30 EIEDMM C=CCc1cc(/C=C2/CCc3cc([O-])ccc3C2=O)cc(OC)c1O ZINC000206809005 1053844311 /nfs/dbraw/zinc/84/43/11/1053844311.db2.gz XLZSTDYRVSTSJC-YBEGLDIGSA-N -1 1 336.387 4.047 20 30 EIEDMM CC1(C)Cc2ccc(C([O-])=C(C#N)c3nc(C4CC4)cs3)cc2O1 ZINC000870443875 1054098584 /nfs/dbraw/zinc/09/85/84/1054098584.db2.gz CKSFUFTYBUOZDD-AWEZNQCLSA-N -1 1 338.432 4.224 20 30 EIEDMM N#Cc1cccc([O-])c1NC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC001200997705 1054620635 /nfs/dbraw/zinc/62/06/35/1054620635.db2.gz LHPVSDLJEGZDCE-UHFFFAOYSA-N -1 1 338.219 4.380 20 30 EIEDMM Cc1ccc(S(=O)(=O)[N-]c2c(C)ccc3ccccc32)cc1C#N ZINC001201288236 1054733679 /nfs/dbraw/zinc/73/36/79/1054733679.db2.gz WVJADYZSDGNDBJ-UHFFFAOYSA-N -1 1 336.416 4.129 20 30 EIEDMM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ccc(Cl)o2)cc1 ZINC000131508283 1055082173 /nfs/dbraw/zinc/08/21/73/1055082173.db2.gz FEUPZCDOOZELQO-FZMZJTMJSA-N -1 1 344.798 4.408 20 30 EIEDMM O=C1c2cccc(O)c2CC/C1=C\c1ccc([O-])c(Br)c1 ZINC000742434710 1058631515 /nfs/dbraw/zinc/63/15/15/1058631515.db2.gz LOCDVJTZMCKCIA-DHZHZOJOSA-N -1 1 345.192 4.073 20 30 EIEDMM O=C(/C=C\c1ccc([O-])c(Br)c1)c1ccc2c(c1)COC2 ZINC000742435805 1058631708 /nfs/dbraw/zinc/63/17/08/1058631708.db2.gz YYSMGYUBZFCJDV-KTAJNNJTSA-N -1 1 345.192 4.081 20 30 EIEDMM CC1(C)CC(=O)C=C(Nc2cc(/C=N/[O-])cc(C(F)(F)F)c2)C1 ZINC001169953112 1061050934 /nfs/dbraw/zinc/05/09/34/1061050934.db2.gz NEAZPMNDDBFLOX-AWQFTUOYSA-N -1 1 326.318 4.198 20 30 EIEDMM CCOc1cccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430583163 1023110312 /nfs/dbraw/zinc/11/03/12/1023110312.db2.gz MFRBMHKXPCTKLP-AWEZNQCLSA-N -1 1 328.437 4.329 20 30 EIEDMM COc1ccc([O-])c(C(=O)/C=C\c2ccc(OC(F)F)c(F)c2)c1 ZINC000754690388 1023306377 /nfs/dbraw/zinc/30/63/77/1023306377.db2.gz UBHJTSCMZAFCFG-DJWKRKHSSA-N -1 1 338.281 4.037 20 30 EIEDMM COc1ccc2c(c1)C(=O)/C(=C/c1ccc([O-])c(Cl)c1)CCO2 ZINC000255416437 1024876058 /nfs/dbraw/zinc/87/60/58/1024876058.db2.gz XSKYOPICZXBGHP-XYOKQWHBSA-N -1 1 330.767 4.103 20 30 EIEDMM CCCCOc1cc(/C=C/C(=O)c2ccc([O-])cc2)ccc1OC ZINC000005128172 1025335665 /nfs/dbraw/zinc/33/56/65/1025335665.db2.gz XHTJBIFOTQDDPF-VZUCSPMQSA-N -1 1 326.392 4.476 20 30 EIEDMM C=CC[C@H](NCc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)[O-] ZINC000426786468 1026563916 /nfs/dbraw/zinc/56/39/16/1026563916.db2.gz VVLSSLJJSMZUBQ-AWEZNQCLSA-N -1 1 339.313 4.084 20 30 EIEDMM COc1sc(/C=C\C(=O)c2ccc([O-])cc2)cc1Br ZINC000255520771 1026948435 /nfs/dbraw/zinc/94/84/35/1026948435.db2.gz HLPHHHWTBSTBFB-SREVYHEPSA-N -1 1 339.210 4.121 20 30 EIEDMM CCn1c(C)cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1C ZINC000430625520 1027154726 /nfs/dbraw/zinc/15/47/26/1027154726.db2.gz JRHROGSFAUCLBG-CQSZACIVSA-N -1 1 329.469 4.369 20 30 EIEDMM C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1cc(C2CC2)no1 ZINC000281582085 1028793151 /nfs/dbraw/zinc/79/31/51/1028793151.db2.gz DJUQYHSZYSXQRD-NSHDSACASA-N -1 1 327.409 4.199 20 30 EIEDMM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1cc(C2CC2)no1 ZINC000281676003 1028833760 /nfs/dbraw/zinc/83/37/60/1028833760.db2.gz LXKRBSKJQWDVQJ-LLVKDONJSA-N -1 1 327.409 4.056 20 30 EIEDMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(CC#N)c2)cc1 ZINC000451105444 1030248933 /nfs/dbraw/zinc/24/89/33/1030248933.db2.gz CGQHERULOPXADG-CQSZACIVSA-N -1 1 328.437 4.067 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccccc2Cc2ccccc2)c1 ZINC000614357779 1034464805 /nfs/dbraw/zinc/46/48/05/1034464805.db2.gz CVYGVYGUWJWZDT-UHFFFAOYSA-N -1 1 328.371 4.107 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccccc2Nc2ccccc2)c1 ZINC000614374543 1034495281 /nfs/dbraw/zinc/49/52/81/1034495281.db2.gz RMKRFVIYSIUKBF-UHFFFAOYSA-N -1 1 329.359 4.260 20 30 EIEDMM COc1cc(/C=C2\CCc3cc([O-])ccc3C2=O)ccc1OC(F)F ZINC000060340096 1036031352 /nfs/dbraw/zinc/03/13/52/1036031352.db2.gz YAXCWSCXLFFGHR-MDWZMJQESA-N -1 1 346.329 4.215 20 30 EIEDMM Cc1ccc(Cl)c2sc(NC(=O)c3cc([O-])cc(C#N)c3)nc21 ZINC000588106635 1036228317 /nfs/dbraw/zinc/22/83/17/1036228317.db2.gz KAEUJMMXNFFRJR-UHFFFAOYSA-N -1 1 343.795 4.088 20 30 EIEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000597782286 1036348414 /nfs/dbraw/zinc/34/84/14/1036348414.db2.gz VQXYDSMVNBQMHS-VQTJNVASSA-N -1 1 334.419 4.062 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)N(Cc2ccc3ccccc3c2)C2CC2)c1 ZINC000589170379 1036682127 /nfs/dbraw/zinc/68/21/27/1036682127.db2.gz YFLBLTVYEJJGQR-UHFFFAOYSA-N -1 1 342.398 4.222 20 30 EIEDMM C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589168033 1036682797 /nfs/dbraw/zinc/68/27/97/1036682797.db2.gz SNHOUCTTWBRXLE-NSHDSACASA-N -1 1 348.324 4.116 20 30 EIEDMM CC(C)Sc1ccc([C@H](C)NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000589177645 1036686508 /nfs/dbraw/zinc/68/65/08/1036686508.db2.gz HIBWSNLOJBXFBC-ZDUSSCGKSA-N -1 1 340.448 4.255 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(COc3ccccc3)cc2)c1 ZINC000589197105 1036708932 /nfs/dbraw/zinc/70/89/32/1036708932.db2.gz GQAWRFRSCFRVTM-UHFFFAOYSA-N -1 1 344.370 4.095 20 30 EIEDMM C=CCn1cccc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000488234581 1037429459 /nfs/dbraw/zinc/42/94/59/1037429459.db2.gz RMZDGTPISIRNCY-LBPRGKRZSA-N -1 1 341.823 4.427 20 30 EIEDMM C[C@@H](CC(=O)Nc1n[n-]c(C(F)(F)F)n1)Cc1ccc(Cl)cc1 ZINC000091171925 1039347953 /nfs/dbraw/zinc/34/79/53/1039347953.db2.gz JEFVLCLVSWCMPD-MRVPVSSYSA-N -1 1 346.740 4.334 20 30 EIEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(C#N)c(Cl)c2)s1 ZINC000555698426 1039549649 /nfs/dbraw/zinc/54/96/49/1039549649.db2.gz KQZPGYPMQYGXFI-LBPRGKRZSA-N -1 1 343.839 4.456 20 30 EIEDMM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2ccc(C#N)c([O-])c2)o1 ZINC000443293688 1041219819 /nfs/dbraw/zinc/21/98/19/1041219819.db2.gz JJUWOAISYHALDJ-CXAGYDPISA-N -1 1 338.407 4.033 20 30 EIEDMM N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(O)cc3[O-])cc2)cc1 ZINC000436540384 1041332467 /nfs/dbraw/zinc/33/24/67/1041332467.db2.gz WVBDRBALPOISEQ-UHFFFAOYSA-N -1 1 346.342 4.014 20 30 EIEDMM CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2ccccc2c1[O-] ZINC000436760685 1041457991 /nfs/dbraw/zinc/45/79/91/1041457991.db2.gz RQBNQMRTDWWBAJ-UHFFFAOYSA-N -1 1 344.414 4.469 20 30 EIEDMM C[C@H](c1ccccc1Cl)N(C(=O)c1ccc(C#N)c([O-])c1)C1CC1 ZINC000443334400 1041466944 /nfs/dbraw/zinc/46/69/44/1041466944.db2.gz MDRHIYOTPXKFDC-GFCCVEGCSA-N -1 1 340.810 4.283 20 30 EIEDMM CCCCC(C)N=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000727058016 1043126429 /nfs/dbraw/zinc/12/64/29/1043126429.db2.gz BYRYNRYTNBDKCR-UHFFFAOYSA-N -1 1 345.468 4.465 20 30 EIEDMM CC[C@H](C)C(C)N=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000727058588 1043126486 /nfs/dbraw/zinc/12/64/86/1043126486.db2.gz RWUJOZSIICPXRZ-AWEZNQCLSA-N -1 1 345.468 4.321 20 30 EIEDMM Cc1ccc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)cc1[N+](=O)[O-] ZINC000730590745 1043566409 /nfs/dbraw/zinc/56/64/09/1043566409.db2.gz UNZMPEUFOPDGDG-VPMLRQHESA-N -1 1 327.311 4.131 20 30 EIEDMM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442963093 1043923439 /nfs/dbraw/zinc/92/34/39/1043923439.db2.gz IEGOEVRIGMOLFU-OAHLLOKOSA-N -1 1 334.419 4.267 20 30 EIEDMM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ccc(C#N)c([O-])c2)o1 ZINC000443293689 1044162459 /nfs/dbraw/zinc/16/24/59/1044162459.db2.gz JJUWOAISYHALDJ-DYVFJYSZSA-N -1 1 338.407 4.033 20 30 EIEDMM O=C(CCCCCc1cccs1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000067135686 1045739436 /nfs/dbraw/zinc/73/94/36/1045739436.db2.gz LWLOCGFLNDYJCY-UHFFFAOYSA-N -1 1 332.351 4.276 20 30 EIEDMM CCOc1cc(/C=C2/Oc3cc([O-])cc(C)c3C2=O)cc(Cl)c1O ZINC000915988710 1045862054 /nfs/dbraw/zinc/86/20/54/1045862054.db2.gz CKQAYWRXGLYPHV-VIZOYTHASA-N -1 1 346.766 4.075 20 30 EIEDMM CC(N=Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccc2c(c1)CCC2 ZINC000916259839 1045965582 /nfs/dbraw/zinc/96/55/82/1045965582.db2.gz RZMNRUPDTIUIIA-UHFFFAOYSA-N -1 1 328.799 4.363 20 30 EIEDMM Cc1cc(CN=Nc2ccc(Cl)c(C(=O)[O-])c2)c(C)n1C1CC1 ZINC000916259293 1045966649 /nfs/dbraw/zinc/96/66/49/1045966649.db2.gz CDPZMOYUYLDNGI-UHFFFAOYSA-N -1 1 331.803 4.237 20 30 EIEDMM Cc1ccc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)s1 ZINC000916368793 1046005931 /nfs/dbraw/zinc/00/59/31/1046005931.db2.gz NVMVBIAVLXQPGD-UHFFFAOYSA-N -1 1 346.506 4.111 20 30 EIEDMM O=C([O-])c1ccc(N=NCc2c(Cl)ccc(Cl)c2Cl)nc1 ZINC000763369496 1046014777 /nfs/dbraw/zinc/01/47/77/1046014777.db2.gz XGVTYBYFNJILPI-UHFFFAOYSA-N -1 1 344.585 4.186 20 30 EIEDMM CCCC1CCC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)CC1 ZINC000769811968 1046080032 /nfs/dbraw/zinc/08/00/32/1046080032.db2.gz HXTRMTDVFQCVNF-UHFFFAOYSA-N -1 1 344.463 4.045 20 30 EIEDMM COc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1-c1ccccn1 ZINC000162345846 1046180078 /nfs/dbraw/zinc/18/00/78/1046180078.db2.gz HKLBDQKQJBVBIX-HNNXBMFYSA-N -1 1 349.415 4.012 20 30 EIEDMM Cc1cc(C)c(C(=O)[O-])cc1C=NNc1nccc2sccc21 ZINC000814809370 1048191899 /nfs/dbraw/zinc/19/18/99/1048191899.db2.gz ZFLORNNSVBLSMC-UHFFFAOYSA-N -1 1 325.393 4.057 20 30 EIEDMM Cc1oc(-c2ccccc2)nc1C(=O)[N-]c1c(C#N)ccc(F)c1F ZINC001147319513 1049132813 /nfs/dbraw/zinc/13/28/13/1049132813.db2.gz XQHZGASLQNOYCT-UHFFFAOYSA-N -1 1 339.301 4.052 20 30 EIEDMM CCCCN(C(=O)c1ccc(C#N)c([O-])c1)[C@@H](C)c1ccc(C)o1 ZINC000615476319 1049692196 /nfs/dbraw/zinc/69/21/96/1049692196.db2.gz RWGBAXPSIMOKMN-AWEZNQCLSA-N -1 1 326.396 4.169 20 30 EIEDMM CCCCCCCCS(=O)(=O)[N-]c1cnccc1C(F)(F)F ZINC001187993085 1050665332 /nfs/dbraw/zinc/66/53/32/1050665332.db2.gz IABXAYYOKFCDIX-UHFFFAOYSA-N -1 1 338.395 4.203 20 30 EIEDMM CC(C)CCc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000619462440 1050789492 /nfs/dbraw/zinc/78/94/92/1050789492.db2.gz UZGIYHURBOZBKS-UHFFFAOYSA-N -1 1 342.464 4.142 20 30 EIEDMM N#Cc1cc(NC(=O)NC2c3ccccc3-c3ccccc32)ccc1[O-] ZINC001190043034 1051107696 /nfs/dbraw/zinc/10/76/96/1051107696.db2.gz VLCOMDYHGCTHNR-UHFFFAOYSA-N -1 1 341.370 4.155 20 30 EIEDMM Cc1ccccc1-c1cccc(C(=O)Nc2ccc(C#N)cc2[O-])c1 ZINC001190296074 1051152721 /nfs/dbraw/zinc/15/27/21/1051152721.db2.gz LYAJCRPNTVRVDZ-UHFFFAOYSA-N -1 1 328.371 4.492 20 30 EIEDMM CC(C)(C#N)c1cccc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])c1 ZINC001190938118 1051305429 /nfs/dbraw/zinc/30/54/29/1051305429.db2.gz CVJCTTOSSSPCKO-UHFFFAOYSA-N -1 1 348.324 4.464 20 30 EIEDMM N#Cc1ccc(Nc2c(F)cc([O-])cc2F)c(OC(F)(F)F)c1 ZINC001175100210 1051348319 /nfs/dbraw/zinc/34/83/19/1051348319.db2.gz NSVCUNGYHCXXRA-UHFFFAOYSA-N -1 1 330.212 4.184 20 30 EIEDMM N#Cc1c(F)cc(Br)cc1Nc1c(F)cc([O-])cc1F ZINC001175102450 1051349635 /nfs/dbraw/zinc/34/96/35/1051349635.db2.gz LHCFDFWJLCBOOS-UHFFFAOYSA-N -1 1 343.102 4.187 20 30 EIEDMM N#Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)c([O-])c1 ZINC001182361232 1051524429 /nfs/dbraw/zinc/52/44/29/1051524429.db2.gz GUCPTIIFENSAIC-STQMWFEESA-N -1 1 346.308 4.025 20 30 EIEDMM CCCCCCC[C@H](C)NC(=O)Nc1cc2ccc([O-])cc2oc1=O ZINC001192920752 1051826878 /nfs/dbraw/zinc/82/68/78/1051826878.db2.gz FPYRKDKYEKPZOD-ZDUSSCGKSA-N -1 1 346.427 4.369 20 30 EIEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)ccc1Cl ZINC001185524113 1052255775 /nfs/dbraw/zinc/25/57/75/1052255775.db2.gz ADBUGKVYAXMEFM-UHFFFAOYSA-N -1 1 348.855 4.250 20 30 EIEDMM CC(C)(C)n1ncc2c1[n-]c(NN=C1CCCCCC1(C)C)nc2=O ZINC000872351575 1054441030 /nfs/dbraw/zinc/44/10/30/1054441030.db2.gz HTEGTUUHASEXNO-UHFFFAOYSA-N -1 1 344.463 4.045 20 30 EIEDMM CC[C@H](C)c1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201287310 1054735058 /nfs/dbraw/zinc/73/50/58/1054735058.db2.gz FIRQURBRNMTVCM-ZDUSSCGKSA-N -1 1 328.437 4.181 20 30 EIEDMM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ccc(Cl)o2)cc1 ZINC000131508479 1055082825 /nfs/dbraw/zinc/08/28/25/1055082825.db2.gz FEUPZCDOOZELQO-BXUZGUMPSA-N -1 1 344.798 4.408 20 30 EIEDMM COc1ccc(C(=O)/C=C\c2ccc([O-])c(Br)c2)cc1 ZINC000213923449 1056659351 /nfs/dbraw/zinc/65/93/51/1056659351.db2.gz XKYPCEZOCNDCNO-WAPJZHGLSA-N -1 1 333.181 4.059 20 30 EIEDMM CC(=NNc1ccccc1C(=O)[O-])c1cccc(-c2ccncc2)c1 ZINC000741461840 1058218807 /nfs/dbraw/zinc/21/88/07/1058218807.db2.gz DLEFAXPKRZQYMW-UHFFFAOYSA-N -1 1 331.375 4.283 20 30 EIEDMM COc1cc(/C=C2/Oc3cc([O-])cc(C)c3C2=O)ccc1SC ZINC000746342486 1060217343 /nfs/dbraw/zinc/21/73/43/1060217343.db2.gz WAADKFDTWBZADW-OVCLIPMQSA-N -1 1 328.389 4.047 20 30 EIEDMM N#Cc1ccc(Nc2cccc(C(=O)Nc3ccc(F)cc3[O-])c2)cc1 ZINC000532267215 1032126771 /nfs/dbraw/zinc/12/67/71/1032126771.db2.gz RSXGTAJCWHJALE-UHFFFAOYSA-N -1 1 347.349 4.399 20 30 EIEDMM Cc1cc(C(=O)/C=C/c2ccc([O-])c(Br)c2)ccc1O ZINC000728231573 1020327053 /nfs/dbraw/zinc/32/70/53/1020327053.db2.gz LPPHCJRIUPNHKS-GORDUTHDSA-N -1 1 333.181 4.065 20 30 EIEDMM CCc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)oc1CC ZINC000177946028 1021820485 /nfs/dbraw/zinc/82/04/85/1021820485.db2.gz YUYLAPLPATWAHS-CQSZACIVSA-N -1 1 344.798 4.019 20 30 EIEDMM Cc1csc(C(C#N)=C([O-])c2ccc3[nH]c4c(c3c2)CCCC4)n1 ZINC000041521597 1022538676 /nfs/dbraw/zinc/53/86/76/1022538676.db2.gz XPAORYDRGBSVIJ-HNNXBMFYSA-N -1 1 335.432 4.302 20 30 EIEDMM C[C@H]1CCCc2ncc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)n21 ZINC000651352625 1022660858 /nfs/dbraw/zinc/66/08/58/1022660858.db2.gz CZWLYGUUHTXHKC-NWDGAFQWSA-N -1 1 342.468 4.024 20 30 EIEDMM COc1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)ccc1F ZINC000430621604 1023460005 /nfs/dbraw/zinc/46/00/05/1023460005.db2.gz DSDFTKKODANIOR-LLVKDONJSA-N -1 1 332.400 4.078 20 30 EIEDMM CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc2ccccc2cc1[O-] ZINC000220103652 1023460113 /nfs/dbraw/zinc/46/01/13/1023460113.db2.gz RYYQALBTVIJVNK-UHFFFAOYSA-N -1 1 344.414 4.469 20 30 EIEDMM Cc1nc(C(=O)[N-]c2c(C)noc2C2CC2)c(Br)s1 ZINC000330130915 1023607443 /nfs/dbraw/zinc/60/74/43/1023607443.db2.gz KSSLKZAFOFHHLT-UHFFFAOYSA-N -1 1 342.218 4.024 20 30 EIEDMM N#CC(=C([O-])c1cccc([C@@H]2CCOC2)c1)c1nc2ccccc2s1 ZINC000536441029 1025810847 /nfs/dbraw/zinc/81/08/47/1025810847.db2.gz BILADSFHJRQTCN-HZPDHXFCSA-N -1 1 348.427 4.290 20 30 EIEDMM CCc1ccc(Cl)c(CC)c1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000007379013 1025845101 /nfs/dbraw/zinc/84/51/01/1025845101.db2.gz YVGPEISXHVWRKV-UHFFFAOYSA-N -1 1 348.855 4.137 20 30 EIEDMM O=C1c2ccc([O-])cc2C/C1=C\c1ccccc1OCc1ccccn1 ZINC000588535052 1026872780 /nfs/dbraw/zinc/87/27/80/1026872780.db2.gz DTXMXFXLWOBWCZ-GZTJUZNOSA-N -1 1 343.382 4.189 20 30 EIEDMM Cc1csc(C(C#N)=C([O-])c2cc(Br)ccc2C)n1 ZINC000076763848 1027094675 /nfs/dbraw/zinc/09/46/75/1027094675.db2.gz GAUNFMQJOHANER-GFCCVEGCSA-N -1 1 335.226 4.013 20 30 EIEDMM N#Cc1ccsc1[N-]C(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000121707860 1029666594 /nfs/dbraw/zinc/66/65/94/1029666594.db2.gz GLIVYHXRSRBTER-UHFFFAOYSA-N -1 1 329.768 4.180 20 30 EIEDMM N#Cc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)cc1[O-] ZINC000527488423 1030721951 /nfs/dbraw/zinc/72/19/51/1030721951.db2.gz YFLXOUJGZYQCOZ-ZCNNSNEGSA-N -1 1 346.430 4.062 20 30 EIEDMM N#Cc1ccc(CCNc2cc(/C=N/[O-])cc(C(F)(F)F)c2)cc1 ZINC001167679754 1030761123 /nfs/dbraw/zinc/76/11/23/1030761123.db2.gz XUKKNFFUFYQTPT-FOKLQQMPSA-N -1 1 333.313 4.040 20 30 EIEDMM Cc1cnn(-c2ccc(C([O-])=C(C#N)c3nc(C4CC4)cs3)cc2)c1 ZINC000647377573 1030900806 /nfs/dbraw/zinc/90/08/06/1030900806.db2.gz VNLWPOXGYYSRJG-INIZCTEOSA-N -1 1 348.431 4.005 20 30 EIEDMM CN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])c1cccc(C#N)c1 ZINC000179470986 1031078712 /nfs/dbraw/zinc/07/87/12/1031078712.db2.gz RLYPAJNUBBDUTF-UHFFFAOYSA-N -1 1 344.370 4.333 20 30 EIEDMM C[C@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589168070 1036680901 /nfs/dbraw/zinc/68/09/01/1036680901.db2.gz WKAGUUNWOGQBJU-SNVBAGLBSA-N -1 1 349.217 4.404 20 30 EIEDMM C=CCc1cccc(C(C)C)c1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000907679052 1036692761 /nfs/dbraw/zinc/69/27/61/1036692761.db2.gz ZZGNUPHQWWXPBQ-UHFFFAOYSA-N -1 1 337.423 4.164 20 30 EIEDMM CCOc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)ccc1C ZINC000503522274 1037796942 /nfs/dbraw/zinc/79/69/42/1037796942.db2.gz UMISGGUKBGMKDB-AWEZNQCLSA-N -1 1 336.416 4.494 20 30 EIEDMM N#Cc1cc(NC(=O)c2ccc([O-])cc2F)ccc1Oc1ccccc1 ZINC000436828145 1041504782 /nfs/dbraw/zinc/50/47/82/1041504782.db2.gz PQSXYRMZYAGAMI-UHFFFAOYSA-N -1 1 348.333 4.448 20 30 EIEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3cccs3)c2)c1 ZINC000509569273 1042378069 /nfs/dbraw/zinc/37/80/69/1042378069.db2.gz CAJMJDGEYWRQRN-UHFFFAOYSA-N -1 1 340.429 4.088 20 30 EIEDMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(C)(C)C#N)cc1 ZINC000031668914 1043011813 /nfs/dbraw/zinc/01/18/13/1043011813.db2.gz GTRBSIHAIWLUNX-UHFFFAOYSA-N -1 1 348.855 4.250 20 30 EIEDMM Cn1cccc1C([O-])=C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000073977454 1043096584 /nfs/dbraw/zinc/09/65/84/1043096584.db2.gz BFENUKURVPTWGQ-SNVBAGLBSA-N -1 1 349.337 4.144 20 30 EIEDMM O=C1c2ccc([O-])cc2O/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000733805565 1044311185 /nfs/dbraw/zinc/31/11/85/1044311185.db2.gz LMZNEUCWCIPLID-ZDLGFXPLSA-N -1 1 349.298 4.177 20 30 EIEDMM N#Cc1ccc(CN(C(=O)c2cc3ccccc3cc2[O-])C2CC2)cc1 ZINC000193237774 1044804013 /nfs/dbraw/zinc/80/40/13/1044804013.db2.gz MTIIPZICNLSHIO-UHFFFAOYSA-N -1 1 342.398 4.222 20 30 EIEDMM O=C(C#Cc1ccc(C(F)(F)F)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000790804765 1045577875 /nfs/dbraw/zinc/57/78/75/1045577875.db2.gz QLBXVVHPDALACS-UHFFFAOYSA-N -1 1 339.700 4.055 20 30 EIEDMM CC(=NNc1ccc(OC(F)F)cc1)c1ccc([O-])c(Cl)c1 ZINC000768767981 1045834371 /nfs/dbraw/zinc/83/43/71/1045834371.db2.gz KWCXIINURNVDBF-UHFFFAOYSA-N -1 1 326.730 4.483 20 30 EIEDMM CCC(N=Nc1cccc(C(=O)[O-])c1)c1ccc(Br)cc1 ZINC000916255176 1045965868 /nfs/dbraw/zinc/96/58/68/1045965868.db2.gz HQPMFOXWDYGOBT-UHFFFAOYSA-N -1 1 347.212 4.374 20 30 EIEDMM CCN(C(=O)c1c([O-])cccc1Cl)[C@H](C)c1ccc(C#N)cc1 ZINC000769723299 1046054968 /nfs/dbraw/zinc/05/49/68/1046054968.db2.gz WEQGGQPSXIQAHV-GFCCVEGCSA-N -1 1 328.799 4.141 20 30 EIEDMM C[C@H]1CCc2sc(C([O-])=C(C#N)c3nc4ccccc4n3C)cc2C1 ZINC000123452581 1046131130 /nfs/dbraw/zinc/13/11/30/1046131130.db2.gz VJXXTHNDBLDDOK-JSGCOSHPSA-N -1 1 349.459 4.250 20 30 EIEDMM CC[C@H](NN=C(C)c1ccc2c(c1)Nc1ccccc1S2)C(=O)[O-] ZINC000793074030 1046134409 /nfs/dbraw/zinc/13/44/09/1046134409.db2.gz ZSAIVVBFWJBCEH-ZDUSSCGKSA-N -1 1 341.436 4.072 20 30 EIEDMM O=C(/C=C/c1ccc(F)cc1C(F)(F)F)c1cc(O)ccc1[O-] ZINC000771857348 1046514134 /nfs/dbraw/zinc/51/41/34/1046514134.db2.gz DGAQCVOFUDWUCW-GORDUTHDSA-N -1 1 326.245 4.152 20 30 EIEDMM CC[C@@H](C[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)CC(F)(F)F ZINC001129928236 1046800911 /nfs/dbraw/zinc/80/09/11/1046800911.db2.gz SONJEBWSCBAKNW-MRVPVSSYSA-N -1 1 345.258 4.151 20 30 EIEDMM CC[C@H](C[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)CC(F)(F)F ZINC001129928237 1046801265 /nfs/dbraw/zinc/80/12/65/1046801265.db2.gz SONJEBWSCBAKNW-QMMMGPOBSA-N -1 1 345.258 4.151 20 30 EIEDMM CC[C@H](C)[C@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccccc1 ZINC000072673435 1048042969 /nfs/dbraw/zinc/04/29/69/1048042969.db2.gz DGTRYJQPSTWQLQ-ONGXEEELSA-N -1 1 326.322 4.241 20 30 EIEDMM CC[C@H](C)[C@@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccccc1 ZINC000072673441 1048043499 /nfs/dbraw/zinc/04/34/99/1048043499.db2.gz DGTRYJQPSTWQLQ-GXSJLCMTSA-N -1 1 326.322 4.241 20 30 EIEDMM COc1ccc2cc([C@H](C)C(=O)Nc3ccc(C#N)cc3[O-])ccc2c1 ZINC001143744040 1048181723 /nfs/dbraw/zinc/18/17/23/1048181723.db2.gz HYLFWPIZTJVJJT-ZDUSSCGKSA-N -1 1 346.386 4.168 20 30 EIEDMM Cc1cccc2c1OC/C(=C/c1ccc([O-])c(Br)c1)C2=O ZINC000920067410 1048414781 /nfs/dbraw/zinc/41/47/81/1048414781.db2.gz YJRWZTSSKJZBND-GHXNOFRVSA-N -1 1 345.192 4.122 20 30 EIEDMM CC(C)=CCOc1cccc(C([O-])=C(C#N)c2nc(C)cs2)c1 ZINC000076763193 1048940024 /nfs/dbraw/zinc/94/00/24/1048940024.db2.gz SSYOJGCVOUZIDT-MRXNPFEDSA-N -1 1 326.421 4.287 20 30 EIEDMM CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc2ccccc2cc1[O-] ZINC001136409383 1049591050 /nfs/dbraw/zinc/59/10/50/1049591050.db2.gz PHLYTEBULQRDKG-UHFFFAOYSA-N -1 1 346.386 4.457 20 30 EIEDMM C[Si](C)(C)C#Cc1cccc(NC(=O)c2ccc([O-])cc2F)c1 ZINC001186328383 1050286930 /nfs/dbraw/zinc/28/69/30/1050286930.db2.gz AEKUBWBQYCCFBB-UHFFFAOYSA-N -1 1 327.431 4.013 20 30 EIEDMM CCCCCCCCS(=O)(=O)[N-]c1ccccc1P(C)(C)=O ZINC001188012983 1050678168 /nfs/dbraw/zinc/67/81/68/1050678168.db2.gz MKMMELDWNCMJCG-UHFFFAOYSA-N -1 1 345.445 4.037 20 30 EIEDMM COc1cc(C#N)c(F)cc1NC(=O)c1c(C)ccc(C(C)C)c1[O-] ZINC001188180768 1050717595 /nfs/dbraw/zinc/71/75/95/1050717595.db2.gz BBPGMYSMFRMEJS-UHFFFAOYSA-N -1 1 342.370 4.096 20 30 EIEDMM N#Cc1cc(F)c([N-]C(=O)c2ncsc2C(F)(F)F)c(Cl)c1 ZINC001188215127 1050729159 /nfs/dbraw/zinc/72/91/59/1050729159.db2.gz ROUDLTWXSPNOSR-UHFFFAOYSA-N -1 1 349.696 4.078 20 30 EIEDMM N#Cc1c([O-])csc1NC(=O)NC1c2ccccc2-c2ccccc21 ZINC001190017702 1051093172 /nfs/dbraw/zinc/09/31/72/1051093172.db2.gz WMMMLTJRQWSFFQ-UHFFFAOYSA-N -1 1 347.399 4.217 20 30 EIEDMM N#Cc1cccc([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)c1 ZINC001194130857 1052080263 /nfs/dbraw/zinc/08/02/63/1052080263.db2.gz HILSTEYOAPJQNV-UHFFFAOYSA-N -1 1 340.429 4.088 20 30 EIEDMM Cc1cc(S(=O)(=O)[N-]c2ccc([C@@H](C)C#N)cc2)ccc1Cl ZINC001185524853 1052256490 /nfs/dbraw/zinc/25/64/90/1052256490.db2.gz NWGPZGWXQGMRQU-LBPRGKRZSA-N -1 1 334.828 4.076 20 30 EIEDMM N#Cc1c([O-])csc1NC(=S)Nc1ccc(C(F)(F)F)cc1 ZINC001196161942 1053603729 /nfs/dbraw/zinc/60/37/29/1053603729.db2.gz QLYIAEXLMCUBQC-UHFFFAOYSA-N -1 1 343.355 4.153 20 30 EIEDMM Cc1cc(F)ncc1NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196297964 1053634105 /nfs/dbraw/zinc/63/41/05/1053634105.db2.gz QMCABRIWJPCDMP-UHFFFAOYSA-N -1 1 347.349 4.026 20 30 EIEDMM CC(C)Cn1ncc(N[C@H](C)c2cccc(C#N)c2[O-])c1C(F)F ZINC000866335700 1053694112 /nfs/dbraw/zinc/69/41/12/1053694112.db2.gz DYMORADFJGHPPB-LLVKDONJSA-N -1 1 334.370 4.227 20 30 EIEDMM CCCCCCCC(=O)NCc1cccc(Br)c1[O-] ZINC000765764554 1054410851 /nfs/dbraw/zinc/41/08/51/1054410851.db2.gz MDDSQMHNEFFXAD-UHFFFAOYSA-N -1 1 328.250 4.131 20 30 EIEDMM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cs1 ZINC000671751442 1054974744 /nfs/dbraw/zinc/97/47/44/1054974744.db2.gz YNOINJKTHNVKFM-NSHDSACASA-N -1 1 331.347 4.291 20 30 EIEDMM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000388939287 1055322935 /nfs/dbraw/zinc/32/29/35/1055322935.db2.gz GDYHIPOWTJTFAU-UHFFFAOYSA-N -1 1 334.828 4.136 20 30 EIEDMM O=C(CCCc1ccc(Cl)cc1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000051266413 201125551 /nfs/dbraw/zinc/12/55/51/201125551.db2.gz TVFUVNUQYSTXNG-UHFFFAOYSA-N -1 1 332.713 4.088 20 30 EIEDMM COc1ccc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cc1 ZINC000076606475 203359183 /nfs/dbraw/zinc/35/91/83/203359183.db2.gz IRMSATLPVMMNSM-ZDUSSCGKSA-N -1 1 342.807 4.448 20 30 EIEDMM C[C@@H]1CCc2sc([N-]C(=O)c3c(F)ccnc3F)c(C#N)c2[C@H]1C ZINC000891180850 1021477130 /nfs/dbraw/zinc/47/71/30/1021477130.db2.gz KNGZZAUAFJZYGL-BDAKNGLRSA-N -1 1 347.390 4.231 20 30 EIEDMM CC#Cc1cncc(Nc2cc(Br)cc(Cl)c2[O-])c1 ZINC001211063618 1022010765 /nfs/dbraw/zinc/01/07/65/1022010765.db2.gz XHQSTTLKXDDPSD-UHFFFAOYSA-N -1 1 337.604 4.318 20 30 EIEDMM Cc1c(=O)[n-]c(S[C@H](C#N)Cc2ccccc2)nc1-c1ccccc1 ZINC000613451531 1022050147 /nfs/dbraw/zinc/05/01/47/1022050147.db2.gz MOBREQJEXODDRX-KRWDZBQOSA-N -1 1 347.443 4.385 20 30 EIEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cccc3ncccc32)s1 ZINC000430598972 1023188881 /nfs/dbraw/zinc/18/88/81/1023188881.db2.gz FLHRHSRLXNBYEN-AWEZNQCLSA-N -1 1 335.432 4.479 20 30 EIEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cccc3ncccc32)s1 ZINC000430598973 1023189441 /nfs/dbraw/zinc/18/94/41/1023189441.db2.gz FLHRHSRLXNBYEN-CQSZACIVSA-N -1 1 335.432 4.479 20 30 EIEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c1 ZINC000511680234 1023827666 /nfs/dbraw/zinc/82/76/66/1023827666.db2.gz IEPXWSHIPRBRPR-UHFFFAOYSA-N -1 1 337.828 4.014 20 30 EIEDMM CC(C)Oc1ccc(C#N)cc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000471855121 1023958733 /nfs/dbraw/zinc/95/87/33/1023958733.db2.gz DCWHSJRUDXCDTB-UHFFFAOYSA-N -1 1 346.386 4.457 20 30 EIEDMM CCCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000472000469 1025326252 /nfs/dbraw/zinc/32/62/52/1025326252.db2.gz FIIHLLJLXIJQAU-UHFFFAOYSA-N -1 1 342.464 4.435 20 30 EIEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)sc1Cl ZINC000232390160 1026342625 /nfs/dbraw/zinc/34/26/25/1026342625.db2.gz KSMQNRDBPIKIDK-UHFFFAOYSA-N -1 1 347.248 4.036 20 30 EIEDMM Cc1coc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)cc12 ZINC000479545501 1026840890 /nfs/dbraw/zinc/84/08/90/1026840890.db2.gz UFGJYZWLBUDXKV-UHFFFAOYSA-N -1 1 346.795 4.067 20 30 EIEDMM O=C1c2ccc([O-])cc2C/C1=C\c1cnc(-c2cccs2)s1 ZINC000588535122 1026870547 /nfs/dbraw/zinc/87/05/47/1026870547.db2.gz NTCNRUBDIUUFGX-DHZHZOJOSA-N -1 1 325.414 4.400 20 30 EIEDMM N#Cc1ccc(Nc2cc(Br)cc(Cl)c2[O-])c(N)c1 ZINC001213370656 1026978716 /nfs/dbraw/zinc/97/87/16/1026978716.db2.gz KCWAZDAKEGILFW-UHFFFAOYSA-N -1 1 338.592 4.006 20 30 EIEDMM N#CC1(c2ccc(-c3nc(-c4ccc([O-])cc4Cl)no3)cc2)CC1 ZINC000445447366 1028582964 /nfs/dbraw/zinc/58/29/64/1028582964.db2.gz ONIPZIBKFSTCNK-UHFFFAOYSA-N -1 1 337.766 4.318 20 30 EIEDMM N#CC(=C([O-])c1ccc(C2(C#N)CC2)cc1)c1nc2ccccc2s1 ZINC000347234459 1028961582 /nfs/dbraw/zinc/96/15/82/1028961582.db2.gz RRDHGKIUDDYWGH-HNNXBMFYSA-N -1 1 343.411 4.342 20 30 EIEDMM O=C(/C=C\c1ccc([O-])c(F)c1)c1cc(Br)ccc1F ZINC000255582120 1029539963 /nfs/dbraw/zinc/53/99/63/1029539963.db2.gz NFAKHKQBXAXNIP-KTAJNNJTSA-N -1 1 339.135 4.329 20 30 EIEDMM O=C(/C=C\c1cnc(-c2cccs2)s1)c1cc(O)ccc1[O-] ZINC000255622484 1030691171 /nfs/dbraw/zinc/69/11/71/1030691171.db2.gz IKFZWYQVIOQRPB-XQRVVYSFSA-N -1 1 329.402 4.179 20 30 EIEDMM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000191217123 1030802992 /nfs/dbraw/zinc/80/29/92/1030802992.db2.gz MHJUKYMFVUROMT-MOPGFXCFSA-N -1 1 334.419 4.062 20 30 EIEDMM Cc1cccc2c1C/C(=C\c1ccc([O-])c(Br)c1)C2=O ZINC000729151471 1034734252 /nfs/dbraw/zinc/73/42/52/1034734252.db2.gz SGFLLBWCGOZRLF-KPKJPENVSA-N -1 1 329.193 4.286 20 30 EIEDMM CC1(C)CCc2sc([N-]C(=O)c3scnc3Cl)c(C#N)c21 ZINC000906262500 1036192645 /nfs/dbraw/zinc/19/26/45/1036192645.db2.gz MEPOBBKNFXRFMJ-UHFFFAOYSA-N -1 1 337.857 4.206 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)Nc2nc(/C=C\c3ccccc3)cs2)c1 ZINC000589182102 1036699111 /nfs/dbraw/zinc/69/91/11/1036699111.db2.gz PBLGSGXCWPPTME-SREVYHEPSA-N -1 1 347.399 4.143 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)N2CCCC[C@H]2CCCc2ccccc2)c1 ZINC000589196020 1036702801 /nfs/dbraw/zinc/70/28/01/1036702801.db2.gz WQXDAELASZNQAJ-FQEVSTJZSA-N -1 1 348.446 4.281 20 30 EIEDMM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589190851 1036705009 /nfs/dbraw/zinc/70/50/09/1036705009.db2.gz GKZDPSKDAVJJPX-IBGZPJMESA-N -1 1 336.435 4.056 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)N2CC3(CCCC3)[C@@H]2c2ccccc2)c1 ZINC000590894672 1037207820 /nfs/dbraw/zinc/20/78/20/1037207820.db2.gz JWTZLOJYVSZTQS-IBGZPJMESA-N -1 1 332.403 4.021 20 30 EIEDMM N#CC(=C([O-])c1cccc2c1CCC2)c1nc2cc(F)ccc2s1 ZINC000592974193 1037884447 /nfs/dbraw/zinc/88/44/47/1037884447.db2.gz OVJFYTXNZJPASY-OAHLLOKOSA-N -1 1 336.391 4.414 20 30 EIEDMM N#Cc1cccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c1 ZINC000058645170 1037909445 /nfs/dbraw/zinc/90/94/45/1037909445.db2.gz RFIPLPOHJARQMD-UHFFFAOYSA-N -1 1 334.400 4.026 20 30 EIEDMM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ccc(C#N)c([O-])c2)o1 ZINC000443293691 1041201046 /nfs/dbraw/zinc/20/10/46/1041201046.db2.gz JJUWOAISYHALDJ-SUMWQHHRSA-N -1 1 338.407 4.033 20 30 EIEDMM N#Cc1ccc(C(=O)N2CCCCC[C@H]2/C=C/c2ccccc2)cc1[O-] ZINC000443299751 1041282393 /nfs/dbraw/zinc/28/23/93/1041282393.db2.gz XOUFVTWLLCCZRB-YPNIWSFNSA-N -1 1 346.430 4.362 20 30 EIEDMM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cl)cc1[O-] ZINC000436536871 1041320755 /nfs/dbraw/zinc/32/07/55/1041320755.db2.gz DFZLQWHVGQOXER-UHFFFAOYSA-N -1 1 342.826 4.216 20 30 EIEDMM N#Cc1ccc(C(=O)N(Cc2ccc3ccccc3c2)C2CC2)cc1[O-] ZINC000443339289 1041474432 /nfs/dbraw/zinc/47/44/32/1041474432.db2.gz BZRYDZUTUOSZNP-UHFFFAOYSA-N -1 1 342.398 4.222 20 30 EIEDMM C=CCC1(c2nc(-c3cc(Cl)c([O-])c(OCC)c3)no2)CCC1 ZINC000436877723 1041536542 /nfs/dbraw/zinc/53/65/42/1041536542.db2.gz QLVWMVXPFQLOGP-UHFFFAOYSA-N -1 1 334.803 4.492 20 30 EIEDMM O=C1c2ccc([O-])cc2CC/C1=C/c1nc2ccc(F)cc2s1 ZINC000761479319 1042732242 /nfs/dbraw/zinc/73/22/42/1042732242.db2.gz ZMDDNRWHVOPEKE-FLIBITNWSA-N -1 1 325.364 4.354 20 30 EIEDMM N#CC(=C([O-])c1csc2c1CCCC2)c1cnc2ccccc2n1 ZINC000519050742 1042803847 /nfs/dbraw/zinc/80/38/47/1042803847.db2.gz GPWRHRIZYNEHAZ-CYBMUJFWSA-N -1 1 333.416 4.060 20 30 EIEDMM Cc1cccc(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)c1 ZINC000066814145 1043813301 /nfs/dbraw/zinc/81/33/01/1043813301.db2.gz DAYHRCZUAILQGY-AWEZNQCLSA-N -1 1 346.477 4.190 20 30 EIEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(Cl)c1Cl ZINC000442977760 1043916647 /nfs/dbraw/zinc/91/66/47/1043916647.db2.gz WETJWUNGSJIYTI-SECBINFHSA-N -1 1 335.190 4.062 20 30 EIEDMM N#CC(=C([O-])c1ccn(C2CCCC2)n1)c1ccc2ccccc2n1 ZINC000675643985 1044402862 /nfs/dbraw/zinc/40/28/62/1044402862.db2.gz QALMLRPAUCSKGQ-INIZCTEOSA-N -1 1 330.391 4.036 20 30 EIEDMM CN(C)[C@H](C/N=C\c1cc(Cl)cc(Cl)c1[O-])c1ccsc1 ZINC000914557527 1044482391 /nfs/dbraw/zinc/48/23/91/1044482391.db2.gz HXLPQGUXIVOSAC-ZMNVVMRHSA-N -1 1 343.279 4.482 20 30 EIEDMM CCOc1cc(/C=C2\Oc3cc([O-])cc(C)c3C2=O)cc(Cl)c1O ZINC000915988709 1045861864 /nfs/dbraw/zinc/86/18/64/1045861864.db2.gz CKQAYWRXGLYPHV-CHHVJCJISA-N -1 1 346.766 4.075 20 30 EIEDMM CCC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(Cl)c(Cl)c1 ZINC000916241790 1045968643 /nfs/dbraw/zinc/96/86/43/1045968643.db2.gz VANXQNUBVNXERH-UHFFFAOYSA-N -1 1 325.199 4.024 20 30 EIEDMM O=C(/C=C\c1ccc(F)cc1C(F)(F)F)c1cc(O)ccc1[O-] ZINC000771857341 1046514579 /nfs/dbraw/zinc/51/45/79/1046514579.db2.gz DGAQCVOFUDWUCW-DJWKRKHSSA-N -1 1 326.245 4.152 20 30 EIEDMM C[C@@H](c1ccccc1)n1ccc([N-]c2nc(Cl)c(C#N)s2)n1 ZINC000804551915 1046584762 /nfs/dbraw/zinc/58/47/62/1046584762.db2.gz WUVMFYVVBUTTDA-JTQLQIEISA-N -1 1 329.816 4.218 20 30 EIEDMM CCCCCCCC[C@@H](C)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001129759067 1046703769 /nfs/dbraw/zinc/70/37/69/1046703769.db2.gz JWNAWCUQGUZOAX-CQSZACIVSA-N -1 1 333.476 4.386 20 30 EIEDMM Cc1nn(C)c2sc(C(=O)/C=C\c3ccc([O-])c(Cl)c3)cc12 ZINC000806579178 1047291105 /nfs/dbraw/zinc/29/11/05/1047291105.db2.gz YPQFSUITQAPVSK-XQRVVYSFSA-N -1 1 332.812 4.198 20 30 EIEDMM C=CCCCCCC(C)=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000789017176 1047353547 /nfs/dbraw/zinc/35/35/47/1047353547.db2.gz BWNQRORCGMWAJC-UHFFFAOYSA-N -1 1 344.463 4.211 20 30 EIEDMM CC(C)C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Cl)cc1 ZINC001136930818 1047916589 /nfs/dbraw/zinc/91/65/89/1047916589.db2.gz IYKVJAQOKCKWFX-KRWDZBQOSA-N -1 1 342.826 4.434 20 30 EIEDMM C#CCCCCCC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000843884387 1048137953 /nfs/dbraw/zinc/13/79/53/1048137953.db2.gz BJLFAFIQAJUQLB-UHFFFAOYSA-N -1 1 344.636 4.330 20 30 EIEDMM CC(=NNc1cccc(F)c1F)c1cccc(OCCCC(=O)[O-])c1 ZINC000814859576 1048207503 /nfs/dbraw/zinc/20/75/03/1048207503.db2.gz UQCSBHMUSOJKAE-UHFFFAOYSA-N -1 1 348.349 4.045 20 30 EIEDMM CCOC1(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CCCC1 ZINC000901378209 1048665309 /nfs/dbraw/zinc/66/53/09/1048665309.db2.gz IXPRSBOVLGVCGS-UHFFFAOYSA-N -1 1 332.227 4.061 20 30 EIEDMM [O-]c1ccc(CN=Nc2ncnc3c4ccccc4oc32)cc1Cl ZINC000921258486 1048895693 /nfs/dbraw/zinc/89/56/93/1048895693.db2.gz HVPIUGZHZXXYEQ-UHFFFAOYSA-N -1 1 338.754 4.181 20 30 EIEDMM Cc1ccc2c(c1)C/C(=C/c1ccc([O-])c(Br)c1)C2=O ZINC000921263410 1048896709 /nfs/dbraw/zinc/89/67/09/1048896709.db2.gz CZMUIHTYFMVDQS-QPEQYQDCSA-N -1 1 329.193 4.286 20 30 EIEDMM C[C@H](NC(=O)c1cccc(-c2ccccc2)c1[O-])c1cccc(C#N)c1 ZINC001148869343 1049390926 /nfs/dbraw/zinc/39/09/26/1049390926.db2.gz JBFZSWFFGLASLM-HNNXBMFYSA-N -1 1 342.398 4.422 20 30 EIEDMM N#CCc1cccc(NC(=O)c2cccc(-c3ccccc3)c2[O-])c1 ZINC001148870329 1049391475 /nfs/dbraw/zinc/39/14/75/1049391475.db2.gz SUYZUFMYOVGSBA-UHFFFAOYSA-N -1 1 328.371 4.378 20 30 EIEDMM CC(C)c1nccnc1NN=Cc1cc(Cl)c([O-])cc1Cl ZINC000773090580 1049576493 /nfs/dbraw/zinc/57/64/93/1049576493.db2.gz IPKQJECWSAZWKM-UHFFFAOYSA-N -1 1 325.199 4.058 20 30 EIEDMM Cc1ccc(C(C)C)c([O-])c1C(=O)Nc1sc2c(c1C#N)CCC2 ZINC001188167999 1050712840 /nfs/dbraw/zinc/71/28/40/1050712840.db2.gz UNYUWOGFMJCUJI-UHFFFAOYSA-N -1 1 340.448 4.498 20 30 EIEDMM C[C@H](C#N)c1ccc(NC(=O)c2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC001188587310 1050809367 /nfs/dbraw/zinc/80/93/67/1050809367.db2.gz RZUJDHDULBWKKM-SNVBAGLBSA-N -1 1 334.297 4.290 20 30 EIEDMM C=C(C)c1cccc(C(C)(C)NC(=O)Nc2c([O-])cccc2C#N)c1 ZINC001189270604 1050954261 /nfs/dbraw/zinc/95/42/61/1050954261.db2.gz LOQFNYJXYCOOPG-UHFFFAOYSA-N -1 1 335.407 4.354 20 30 EIEDMM CCOc1ccc(C(=O)[N-]c2c(C#N)oc3ccccc32)c(F)c1F ZINC001190691403 1051258985 /nfs/dbraw/zinc/25/89/85/1051258985.db2.gz NBABFTLZSYHMGC-UHFFFAOYSA-N -1 1 342.301 4.234 20 30 EIEDMM C=CCC1(S(=O)(=O)[N-]c2ccccc2SC(F)(F)F)CC1 ZINC001190805862 1051280756 /nfs/dbraw/zinc/28/07/56/1051280756.db2.gz UUBVNDGYGMNQRH-UHFFFAOYSA-N -1 1 337.388 4.149 20 30 EIEDMM N#Cc1ccc(C(=O)[N-]c2cc(-c3ccc(F)cc3)sc2C#N)o1 ZINC001192674160 1051790709 /nfs/dbraw/zinc/79/07/09/1051790709.db2.gz VCOOFKJSNJNYPS-UHFFFAOYSA-N -1 1 337.335 4.143 20 30 EIEDMM C=C(C)c1ccccc1[N-]S(=O)(=O)c1ccc(-c2cnco2)cc1 ZINC001185226768 1052198134 /nfs/dbraw/zinc/19/81/34/1052198134.db2.gz FNVKFDRYWUHUQF-UHFFFAOYSA-N -1 1 340.404 4.176 20 30 EIEDMM N#Cc1ccc(C(=O)/C=C\c2ccc([O-])c(Br)c2)cc1F ZINC000776726922 1053803012 /nfs/dbraw/zinc/80/30/12/1053803012.db2.gz QNIOAPDUCNEKIQ-KTAJNNJTSA-N -1 1 346.155 4.062 20 30 EIEDMM COc1cc(/C=C2/CCc3cc([O-])ccc3C2=O)ccc1SC ZINC000207210704 1053878616 /nfs/dbraw/zinc/87/86/16/1053878616.db2.gz SIRGLVSULZHHKE-ZROIWOOFSA-N -1 1 326.417 4.335 20 30 EIEDMM N#Cc1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)c([O-])c1 ZINC001198060266 1054057134 /nfs/dbraw/zinc/05/71/34/1054057134.db2.gz WEIMDZIRFZTKDU-UHFFFAOYSA-N -1 1 337.326 4.092 20 30 EIEDMM Cc1csc(C(C#N)=C([O-])c2ccc(Cl)c3ncccc23)n1 ZINC000338622631 1054243867 /nfs/dbraw/zinc/24/38/67/1054243867.db2.gz JUMCXQCIBJXXFS-GFCCVEGCSA-N -1 1 327.796 4.143 20 30 EIEDMM Cc1cc(C#N)c([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)s1 ZINC001199314789 1054381824 /nfs/dbraw/zinc/38/18/24/1054381824.db2.gz YEXNRKIRBYFKEK-UHFFFAOYSA-N -1 1 343.795 4.489 20 30 EIEDMM CCCCCCCCCCS(=O)(=O)[N-]c1cccc(O)c1OC ZINC001201835720 1054929152 /nfs/dbraw/zinc/92/91/52/1054929152.db2.gz AFZCNMPRSQXVJO-UHFFFAOYSA-N -1 1 343.489 4.283 20 30 EIEDMM CCCCCCCCCCS(=O)(=O)[N-]c1cc([C@H](C)O)ccn1 ZINC001201833752 1054929885 /nfs/dbraw/zinc/92/98/85/1054929885.db2.gz CRXIYPFBJMKNER-HNNXBMFYSA-N -1 1 342.505 4.017 20 30 EIEDMM CCCc1c(C([O-])=C(C#N)c2nc3ccccc3o2)[nH]c(C)c1C(C)=O ZINC000054736733 1055660851 /nfs/dbraw/zinc/66/08/51/1055660851.db2.gz CRJWCMKJTULODV-CQSZACIVSA-N -1 1 349.390 4.110 20 30 EIEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000033934046 1032885288 /nfs/dbraw/zinc/88/52/88/1032885288.db2.gz GHYVVPAYONENOC-UHFFFAOYSA-N -1 1 334.400 4.026 20 30 EIEDMM O=C(/C=C/c1ccc([O-])c(Br)c1)c1ccc(F)cc1F ZINC000071792991 1025442858 /nfs/dbraw/zinc/44/28/58/1025442858.db2.gz QKRWTKIHQWPGIM-ORCRQEGFSA-N -1 1 339.135 4.329 20 30 EIEDMM Cc1c(C([O-])=C(C#N)c2nc(-c3ccc(C)cc3)cs2)ccn1C ZINC000684948471 1026879775 /nfs/dbraw/zinc/87/97/75/1026879775.db2.gz JXNHQRAMHSDGGY-MRXNPFEDSA-N -1 1 335.432 4.256 20 30 EIEDMM Cn1cc(Cl)cc1C([O-])=C(C#N)c1nc(-c2ccccc2)cs1 ZINC000041533334 1027528098 /nfs/dbraw/zinc/52/80/98/1027528098.db2.gz UXWPENPBVUUUMA-CYBMUJFWSA-N -1 1 341.823 4.292 20 30 EIEDMM Cc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c(C)c1 ZINC000114621179 1029250732 /nfs/dbraw/zinc/25/07/32/1029250732.db2.gz QEVGGCHKKCXQEH-INIZCTEOSA-N -1 1 333.416 4.312 20 30 EIEDMM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000191217143 1030802423 /nfs/dbraw/zinc/80/24/23/1030802423.db2.gz MHJUKYMFVUROMT-RBUKOAKNSA-N -1 1 334.419 4.062 20 30 EIEDMM O=C(/C=C\c1ccc([O-])c(Cl)c1)c1c(Cl)nc2sccn21 ZINC000255642641 1030831442 /nfs/dbraw/zinc/83/14/42/1030831442.db2.gz KQHXLPJVVIRCCT-RQOWECAXSA-N -1 1 339.203 4.304 20 30 EIEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000531321379 1031094525 /nfs/dbraw/zinc/09/45/25/1031094525.db2.gz KBWBNVLMWPFQET-UHFFFAOYSA-N -1 1 348.427 4.335 20 30 EIEDMM N#Cc1ccc(C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)cc1[O-] ZINC000188346655 1031142848 /nfs/dbraw/zinc/14/28/48/1031142848.db2.gz GKEGWHMNLDEUKO-IBGZPJMESA-N -1 1 345.402 4.113 20 30 EIEDMM N#CC(=C([O-])c1ccc(Cl)cc1)c1nc(-c2ccncc2)cs1 ZINC000128836813 1031761915 /nfs/dbraw/zinc/76/19/15/1031761915.db2.gz AERMXDONFIEBDF-CQSZACIVSA-N -1 1 339.807 4.349 20 30 EIEDMM N#Cc1cccc(-c2cc(C(=O)[N-]c3ccsc3Cl)on2)c1 ZINC000345310163 1035191743 /nfs/dbraw/zinc/19/17/43/1035191743.db2.gz JGZCAXGRCCWHEI-UHFFFAOYSA-N -1 1 329.768 4.180 20 30 EIEDMM O=C(/C=C/c1csc(-c2cccs2)n1)c1cc(O)ccc1[O-] ZINC000156645386 1036099873 /nfs/dbraw/zinc/09/98/73/1036099873.db2.gz KUPVFIBADPSBHE-HWKANZROSA-N -1 1 329.402 4.179 20 30 EIEDMM CC(C)(C)Cc1nc2cc(NC(=O)c3cc([O-])cc(C#N)c3)ccc2o1 ZINC000589179420 1036680568 /nfs/dbraw/zinc/68/05/68/1036680568.db2.gz OZCOLNCFXYBZSN-UHFFFAOYSA-N -1 1 349.390 4.246 20 30 EIEDMM CC(C)[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1Cl ZINC000589184435 1036700615 /nfs/dbraw/zinc/70/06/15/1036700615.db2.gz LDUBMVBRHYKFJH-KRWDZBQOSA-N -1 1 328.799 4.044 20 30 EIEDMM Cc1ccc(Cl)c2ccc(NC(=O)c3cc([O-])cc(C#N)c3)nc12 ZINC000589197210 1036707059 /nfs/dbraw/zinc/70/70/59/1036707059.db2.gz MMGAOFZSRBSROY-UHFFFAOYSA-N -1 1 337.766 4.026 20 30 EIEDMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(C(C)(C)C#N)cc1 ZINC000603975423 1037130458 /nfs/dbraw/zinc/13/04/58/1037130458.db2.gz YHKDUCSZOVJPLX-UHFFFAOYSA-N -1 1 348.855 4.250 20 30 EIEDMM O=C(/C=C/c1cnn(Cc2ccccc2Cl)c1)c1ccc([O-])cc1 ZINC000028621267 1037781809 /nfs/dbraw/zinc/78/18/09/1037781809.db2.gz LVXDWKZMIWMJSR-BJMVGYQFSA-N -1 1 338.794 4.187 20 30 EIEDMM N#CC(=C([O-])c1ccc(OC(F)F)cc1)c1nc2ccccc2s1 ZINC000046442438 1038207230 /nfs/dbraw/zinc/20/72/30/1038207230.db2.gz JXDUDRVTQHYABD-GFCCVEGCSA-N -1 1 344.342 4.388 20 30 EIEDMM CC(C)CCOc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)c(F)c1 ZINC000594417484 1038337444 /nfs/dbraw/zinc/33/74/44/1038337444.db2.gz KBRYMOXXPYVYEZ-UHFFFAOYSA-N -1 1 342.370 4.080 20 30 EIEDMM O=C(CCc1ccc2ccccc2c1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000054572905 1038981549 /nfs/dbraw/zinc/98/15/49/1038981549.db2.gz LKXQZDWXAMEVGB-UHFFFAOYSA-N -1 1 334.301 4.198 20 30 EIEDMM C[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(C#N)c([O-])c1)C1CC1 ZINC000442719119 1040079006 /nfs/dbraw/zinc/07/90/06/1040079006.db2.gz IBMXBNBOVWDXPQ-GFCCVEGCSA-N -1 1 340.810 4.283 20 30 EIEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)CCCC3=O)n1 ZINC000551826150 1040626502 /nfs/dbraw/zinc/62/65/02/1040626502.db2.gz FFDDJGJLXVOVOP-HNNXBMFYSA-N -1 1 338.432 4.276 20 30 EIEDMM N#Cc1ccc(Oc2ccc(NC(=O)c3ccccc3[O-])cc2)cc1 ZINC000436540921 1041333417 /nfs/dbraw/zinc/33/34/17/1041333417.db2.gz YILWWFHHZTWGSZ-UHFFFAOYSA-N -1 1 330.343 4.308 20 30 EIEDMM C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(F)ccc1[O-] ZINC000436750879 1041463567 /nfs/dbraw/zinc/46/35/67/1041463567.db2.gz IDAYALWIXMZFDV-UHFFFAOYSA-N -1 1 325.792 4.075 20 30 EIEDMM N#CCC[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1ccccc1 ZINC000436765752 1041473896 /nfs/dbraw/zinc/47/38/96/1041473896.db2.gz YKWLTIVSHBELFZ-OAHLLOKOSA-N -1 1 348.324 4.186 20 30 EIEDMM Cn1c(C([O-])=C(C#N)c2nc3ccccc3s2)cc2ccccc21 ZINC000517305852 1041951658 /nfs/dbraw/zinc/95/16/58/1041951658.db2.gz HPNWXOMYGVHCPK-CYBMUJFWSA-N -1 1 331.400 4.278 20 30 EIEDMM O=C1c2ccc([O-])cc2CC/C1=C\c1nc2ccc(F)cc2s1 ZINC000761479317 1042732301 /nfs/dbraw/zinc/73/23/01/1042732301.db2.gz ZMDDNRWHVOPEKE-DHZHZOJOSA-N -1 1 325.364 4.354 20 30 EIEDMM CC[C@@H](C)C(C)N=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000727058589 1043125954 /nfs/dbraw/zinc/12/59/54/1043125954.db2.gz RWUJOZSIICPXRZ-CQSZACIVSA-N -1 1 345.468 4.321 20 30 EIEDMM O=C([O-])c1cc(C(=O)/C=C\c2cc(Cl)c(O)cc2Cl)cs1 ZINC000759082051 1043198484 /nfs/dbraw/zinc/19/84/84/1043198484.db2.gz BQHKSXUYFGVEGF-UPHRSURJSA-N -1 1 343.187 4.355 20 30 EIEDMM C=CCCCS(=O)(=O)[N-]c1ccc(Cl)cc1C(F)(F)F ZINC000427785877 1043207379 /nfs/dbraw/zinc/20/73/79/1043207379.db2.gz XITLTPWNAUYRDI-UHFFFAOYSA-N -1 1 327.755 4.067 20 30 EIEDMM CC(=NNc1nc2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000727648523 1043256931 /nfs/dbraw/zinc/25/69/31/1043256931.db2.gz IPQLPDVAVLOLRF-UHFFFAOYSA-N -1 1 335.194 4.411 20 30 EIEDMM N#Cc1cc(Nc2cc(F)cc(F)c2[O-])c(Br)cc1F ZINC001212489729 1043564547 /nfs/dbraw/zinc/56/45/47/1043564547.db2.gz YKKYQRKWNWXCBM-UHFFFAOYSA-N -1 1 343.102 4.187 20 30 EIEDMM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1scnc1Cl ZINC000730990227 1043674828 /nfs/dbraw/zinc/67/48/28/1043674828.db2.gz VUGVXAZCBGFUPO-SECBINFHSA-N -1 1 337.857 4.301 20 30 EIEDMM Cc1csc(C(C#N)=C([O-])c2cccc(-c3cscn3)c2)n1 ZINC000442605154 1043769918 /nfs/dbraw/zinc/76/99/18/1043769918.db2.gz ZHJJEQJBJXQFNL-ZDUSSCGKSA-N -1 1 325.418 4.065 20 30 EIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000191570945 1043828106 /nfs/dbraw/zinc/82/81/06/1043828106.db2.gz JHWSNXIWQKLICF-UHFFFAOYSA-N -1 1 333.428 4.478 20 30 EIEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Cl)cc1Cl ZINC000442907836 1043893085 /nfs/dbraw/zinc/89/30/85/1043893085.db2.gz YWUKFUTTZKKQAG-VIFPVBQESA-N -1 1 335.190 4.062 20 30 EIEDMM CC(C)(C)[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(F)cc1F ZINC000443042967 1043979654 /nfs/dbraw/zinc/97/96/54/1043979654.db2.gz CXNXUIKLSFYYNW-KRWDZBQOSA-N -1 1 344.361 4.059 20 30 EIEDMM C=CCC[C@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)c1ccccc1 ZINC000443055614 1043995315 /nfs/dbraw/zinc/99/53/15/1043995315.db2.gz FJOGPXYPQLKBDX-INIZCTEOSA-N -1 1 345.826 4.492 20 30 EIEDMM N#Cc1c(F)cc(Br)cc1Nc1cccc([O-])c1F ZINC001212553124 1044290636 /nfs/dbraw/zinc/29/06/36/1044290636.db2.gz CHFZEGUJWQJFOO-UHFFFAOYSA-N -1 1 325.112 4.048 20 30 EIEDMM N#CC(=C([O-])c1ccc(-c2ccco2)s1)c1nc2ccccc2[nH]1 ZINC000675905856 1044575502 /nfs/dbraw/zinc/57/55/02/1044575502.db2.gz DZCXSIZVCOUEKU-NSHDSACASA-N -1 1 333.372 4.374 20 30 EIEDMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1 ZINC000033612894 1044700414 /nfs/dbraw/zinc/70/04/14/1044700414.db2.gz SMPQYOKPQJYPBW-UHFFFAOYSA-N -1 1 328.437 4.047 20 30 EIEDMM N#Cc1ccc(C(=O)/C=C\c2ccc([O-])c(Br)c2)c(F)c1 ZINC000781107962 1045315134 /nfs/dbraw/zinc/31/51/34/1045315134.db2.gz LPRCEDIKWABFFG-DJWKRKHSSA-N -1 1 346.155 4.062 20 30 EIEDMM O=C1c2ccc([O-])cc2CC/C1=C/c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000763176300 1045639847 /nfs/dbraw/zinc/63/98/47/1045639847.db2.gz WOUCJMOCOTYLRF-GHXNOFRVSA-N -1 1 329.739 4.166 20 30 EIEDMM CC(=NNc1nc2cc(F)c(F)cc2[nH]1)c1ccc([O-])c(Cl)c1 ZINC000768772016 1045839559 /nfs/dbraw/zinc/83/95/59/1045839559.db2.gz GMENCKLMVKVZHR-UHFFFAOYSA-N -1 1 336.729 4.036 20 30 EIEDMM CC(C)(C#N)CCCCOC(=O)c1ccc(Br)c([O-])c1 ZINC000768790322 1045842089 /nfs/dbraw/zinc/84/20/89/1045842089.db2.gz HPRFPJDHETTWDJ-UHFFFAOYSA-N -1 1 340.217 4.032 20 30 EIEDMM O=C(/C=C/c1ccc([O-])c(Br)c1)c1cc(F)ccc1F ZINC000916134952 1045934486 /nfs/dbraw/zinc/93/44/86/1045934486.db2.gz UORPSCXKEMAOFW-ORCRQEGFSA-N -1 1 339.135 4.329 20 30 EIEDMM COC(=O)c1ccc(-c2ccc(/C=C\C(=O)c3ccc([O-])cc3)o2)cc1 ZINC000916134820 1045935884 /nfs/dbraw/zinc/93/58/84/1045935884.db2.gz HGYNONPIEHXDMF-BENRWUELSA-N -1 1 348.354 4.335 20 30 EIEDMM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1csc(Cl)c1 ZINC000786447961 1046841683 /nfs/dbraw/zinc/84/16/83/1046841683.db2.gz PUWJRRIHBWIANU-SECBINFHSA-N -1 1 339.203 4.016 20 30 EIEDMM COc1ccc([O-])c(C(=O)/C=C\c2cnc(-c3ccco3)s2)c1 ZINC000789145218 1047378188 /nfs/dbraw/zinc/37/81/88/1047378188.db2.gz ZVRUXFXPHLRJRW-ALCCZGGFSA-N -1 1 327.361 4.013 20 30 EIEDMM Cc1ccc(-c2nc(/C=C3/Oc4cc([O-])ccc4C3=O)cs2)cc1 ZINC000918711812 1047608214 /nfs/dbraw/zinc/60/82/14/1047608214.db2.gz BHFVLNIMUHGPDN-CAOOACKPSA-N -1 1 335.384 4.440 20 30 EIEDMM N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ncccc1[O-] ZINC000194833659 1047768718 /nfs/dbraw/zinc/76/87/18/1047768718.db2.gz RDFGAESTEYWYHS-UHFFFAOYSA-N -1 1 347.399 4.062 20 30 EIEDMM N#CCCCCCC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000843885497 1048136334 /nfs/dbraw/zinc/13/63/34/1048136334.db2.gz HESJAMWHMUNPOS-UHFFFAOYSA-N -1 1 345.624 4.221 20 30 EIEDMM [O-]c1cccc(C=NNc2cccc(Br)c2)c1Cl ZINC000814787122 1048178844 /nfs/dbraw/zinc/17/88/44/1048178844.db2.gz WHJUEDBTQLEDFU-UHFFFAOYSA-N -1 1 325.593 4.254 20 30 EIEDMM [O-]c1cccc(C=NNCc2ccc(C(F)(F)F)cc2)c1Cl ZINC000814807916 1048189559 /nfs/dbraw/zinc/18/95/59/1048189559.db2.gz QINDMXOEADPTGG-UHFFFAOYSA-N -1 1 328.721 4.188 20 30 EIEDMM CC(=NN=c1[nH]c2ccccc2cc1C)c1cc(C(=O)[O-])cs1 ZINC000814894555 1048221812 /nfs/dbraw/zinc/22/18/12/1048221812.db2.gz NXYMRBKIRWBUEK-UHFFFAOYSA-N -1 1 325.393 4.139 20 30 EIEDMM CC(C)c1ccc([C@@H](C)NN=C2CCCc3c(C#N)c(=O)[n-]cc32)cc1 ZINC000844576645 1048412467 /nfs/dbraw/zinc/41/24/67/1048412467.db2.gz FAOCFJVSRVZNGF-CQSZACIVSA-N -1 1 348.450 4.173 20 30 EIEDMM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3scnc3Cl)sc2C1 ZINC000920078197 1048433285 /nfs/dbraw/zinc/43/32/85/1048433285.db2.gz BVKHIHFKTRGRSW-ZETCQYMHSA-N -1 1 337.857 4.107 20 30 EIEDMM CC(N=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CCC1 ZINC000747630662 1048870534 /nfs/dbraw/zinc/87/05/34/1048870534.db2.gz QGSFEERQJBOKKC-UHFFFAOYSA-N -1 1 343.452 4.075 20 30 EIEDMM COc1ccc(Br)c(/C=C/C(=O)c2ccc([O-])cc2)c1 ZINC000747699712 1049031860 /nfs/dbraw/zinc/03/18/60/1049031860.db2.gz VZASNTQENKZOBI-RUDMXATFSA-N -1 1 333.181 4.059 20 30 EIEDMM O=C(/C=C\c1ccc([O-])c(Cl)c1)c1ccc(Br)nc1 ZINC000811695678 1049231718 /nfs/dbraw/zinc/23/17/18/1049231718.db2.gz CGIGCZNVVICRBI-RJRFIUFISA-N -1 1 338.588 4.099 20 30 EIEDMM CCOc1cc(/C=C2\Cc3ccc(C#N)cc3C2=O)cc(Cl)c1[O-] ZINC000811693934 1049233678 /nfs/dbraw/zinc/23/36/78/1049233678.db2.gz MVZFZNQDCASDKF-LHHJGKSTSA-N -1 1 339.778 4.138 20 30 EIEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(SCC#N)c2)n1 ZINC000080415006 1049582485 /nfs/dbraw/zinc/58/24/85/1049582485.db2.gz KAXWJOHXEBGMSZ-CQSZACIVSA-N -1 1 341.461 4.372 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)N2CCCC[C@H]2c2cccc(Cl)c2)c1 ZINC000618286819 1050331499 /nfs/dbraw/zinc/33/14/99/1050331499.db2.gz LPVQNLBYXHYZMF-SFHVURJKSA-N -1 1 340.810 4.285 20 30 EIEDMM Cc1coc([N-]C(=O)c2ccc(C(F)(F)F)c(F)c2F)c1C#N ZINC001186459144 1050342279 /nfs/dbraw/zinc/34/22/79/1050342279.db2.gz MVVHPLOUKKAUKF-UHFFFAOYSA-N -1 1 330.212 4.009 20 30 EIEDMM N#Cc1ccc(NC(=O)c2cccc(COc3ccccc3)c2)c([O-])c1 ZINC001187969379 1050659677 /nfs/dbraw/zinc/65/96/77/1050659677.db2.gz ZGGUZUCDJDMVJA-UHFFFAOYSA-N -1 1 344.370 4.095 20 30 EIEDMM Cc1c(=O)[n-]c(S[C@@H](C#N)C2CCCC2)nc1-c1ccccc1 ZINC001189104615 1050911020 /nfs/dbraw/zinc/91/10/20/1050911020.db2.gz RJOXWJBAPOBHTC-HNNXBMFYSA-N -1 1 325.437 4.332 20 30 EIEDMM CCCCOc1ccc(NC(=O)Nc2scc([O-])c2C#N)cc1 ZINC001189288883 1050946188 /nfs/dbraw/zinc/94/61/88/1050946188.db2.gz QTQBWPKOCCVYCZ-UHFFFAOYSA-N -1 1 331.397 4.148 20 30 EIEDMM CC(C)(C#N)c1cccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c1 ZINC001190500541 1051196728 /nfs/dbraw/zinc/19/67/28/1051196728.db2.gz VDPCJXBEARIIPK-UHFFFAOYSA-N -1 1 340.448 4.166 20 30 EIEDMM C=CCC1(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC001190805145 1051281907 /nfs/dbraw/zinc/28/19/07/1051281907.db2.gz BXVNYXDALIQQGZ-UHFFFAOYSA-N -1 1 339.766 4.209 20 30 EIEDMM N#Cc1c(Br)cccc1Nc1c(F)cc([O-])cc1F ZINC001175100269 1051347833 /nfs/dbraw/zinc/34/78/33/1051347833.db2.gz OWNFVOFPFRPIQL-UHFFFAOYSA-N -1 1 325.112 4.048 20 30 EIEDMM N#Cc1oc2ccccc2c1[N-]C(=O)c1nccnc1-c1ccccc1 ZINC001191464556 1051470511 /nfs/dbraw/zinc/47/05/11/1051470511.db2.gz ZIVYIMMPLLWAJP-UHFFFAOYSA-N -1 1 340.342 4.014 20 30 EIEDMM N#Cc1cnn(-c2ccc(Cl)cc2)c1Nc1c(F)ccc([O-])c1F ZINC001175263197 1051499814 /nfs/dbraw/zinc/49/98/14/1051499814.db2.gz GVTWSIVFQQPWAC-UHFFFAOYSA-N -1 1 346.724 4.125 20 30 EIEDMM N#Cc1c(NC(=O)c2cc([O-])cc(F)c2F)sc2ccccc21 ZINC001192651997 1051781768 /nfs/dbraw/zinc/78/17/68/1051781768.db2.gz RWXWQQFJWBIEAF-UHFFFAOYSA-N -1 1 330.315 4.009 20 30 EIEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc3c(Cl)cccc3c2)c1 ZINC001194236882 1052112115 /nfs/dbraw/zinc/11/21/15/1052112115.db2.gz WMEJVUGIFIZVPX-UHFFFAOYSA-N -1 1 341.819 4.275 20 30 EIEDMM O=C1c2ccc([O-])cc2C/C1=C/c1c(Cl)nc2cc(Cl)ccn12 ZINC000794715177 1053349874 /nfs/dbraw/zinc/34/98/74/1053349874.db2.gz VCAFJDJFPHGIMF-YFHOEESVSA-N -1 1 345.185 4.169 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccccc2SC(F)(F)F)c1 ZINC000776644987 1053649210 /nfs/dbraw/zinc/64/92/10/1053649210.db2.gz ROLLRRIBKLBLQD-UHFFFAOYSA-N -1 1 338.310 4.128 20 30 EIEDMM C=CCc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)cc(OC)c1OC ZINC000111666352 1053720660 /nfs/dbraw/zinc/72/06/60/1053720660.db2.gz GRRQJQDOXOVVCD-UHFFFAOYSA-N -1 1 347.798 4.044 20 30 EIEDMM CC(C)(C)c1ccc(NC(=S)Nc2c([O-])cccc2C#N)cc1 ZINC001198494529 1054164677 /nfs/dbraw/zinc/16/46/77/1054164677.db2.gz YDTMDGCTRQNIGO-UHFFFAOYSA-N -1 1 325.437 4.370 20 30 EIEDMM CCc1c(C)sc([N-]C(=O)c2scnc2C(F)F)c1C#N ZINC000875296861 1054777781 /nfs/dbraw/zinc/77/77/81/1054777781.db2.gz FBYZYFQUGQCDRH-UHFFFAOYSA-N -1 1 327.381 4.137 20 30 EIEDMM N#Cc1c2c(sc1[N-]C(=O)c1cc(-c3ccccc3)no1)CCC2 ZINC000075488276 1056789579 /nfs/dbraw/zinc/78/95/79/1056789579.db2.gz GCIHXWIABADSOE-UHFFFAOYSA-N -1 1 335.388 4.016 20 30 EIEDMM COc1ccccc1-c1ccc(C(C)=NNc2nc(C)cc(=O)[n-]2)cc1 ZINC000741450152 1058217155 /nfs/dbraw/zinc/21/71/55/1058217155.db2.gz SOGMABINFGBKPB-UHFFFAOYSA-N -1 1 348.406 4.002 20 30 EIEDMM [O-]/N=C/c1cc(NCCCCc2ccccn2)cc(C(F)(F)F)c1 ZINC001168798584 1060396793 /nfs/dbraw/zinc/39/67/93/1060396793.db2.gz ZOJMWZPZTRUPTQ-FSJBWODESA-N -1 1 337.345 4.343 20 30 EIEDMM COc1cc(C(=O)/C=C\c2ccc([O-])c(F)c2)ccc1OC(F)F ZINC000263633251 1032507289 /nfs/dbraw/zinc/50/72/89/1032507289.db2.gz RZDMVHBIEJTXJG-DJWKRKHSSA-N -1 1 338.281 4.037 20 30 EIEDMM CCOc1cc(/C=C/C(=O)c2ccc(C#N)s2)cc(Cl)c1[O-] ZINC000134507200 1019832879 /nfs/dbraw/zinc/83/28/79/1019832879.db2.gz PAAMXCBHFNAWEO-HWKANZROSA-N -1 1 333.796 4.274 20 30 EIEDMM N#Cc1cc(Cl)ccc1SCc1cc(=O)oc2cc([O-])ccc12 ZINC000753832942 1032887229 /nfs/dbraw/zinc/88/72/29/1032887229.db2.gz RWBQGTRWMOBTGB-UHFFFAOYSA-N -1 1 343.791 4.316 20 30 EIEDMM C=C(C)c1cccc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1 ZINC000890890822 1020861351 /nfs/dbraw/zinc/86/13/51/1020861351.db2.gz DQLFRLSBILRMNB-UHFFFAOYSA-N -1 1 325.412 4.074 20 30 EIEDMM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188610699 1021629498 /nfs/dbraw/zinc/62/94/98/1021629498.db2.gz UVLUTLRETKMAOC-QWHCGFSZSA-N -1 1 342.826 4.181 20 30 EIEDMM N#Cc1ccc(Oc2cccc(NC(=O)c3ccc([O-])c(F)c3)c2)cc1 ZINC000613504270 1022201230 /nfs/dbraw/zinc/20/12/30/1022201230.db2.gz SLZJZERRZKCOAJ-UHFFFAOYSA-N -1 1 348.333 4.448 20 30 EIEDMM C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc([O-])c(F)c1 ZINC000613504781 1022206814 /nfs/dbraw/zinc/20/68/14/1022206814.db2.gz BLVSLRWAXUDUSA-NSHDSACASA-N -1 1 330.384 4.035 20 30 EIEDMM N#CC(=C([O-])c1cccc(N2CCCC2)c1)c1nc2ccccc2s1 ZINC000659011764 1022632262 /nfs/dbraw/zinc/63/22/62/1022632262.db2.gz LZUMJALBJIGRKW-INIZCTEOSA-N -1 1 347.443 4.387 20 30 EIEDMM C=CC[C@H]1CCCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000656759955 1023501345 /nfs/dbraw/zinc/50/13/45/1023501345.db2.gz MGMDYIYFPKDRFL-AWEZNQCLSA-N -1 1 342.464 4.296 20 30 EIEDMM C=CCN(C(=O)c1cc(Cl)c([O-])c(OCC)c1)c1ccccc1 ZINC000647742051 1025544655 /nfs/dbraw/zinc/54/46/55/1025544655.db2.gz YNZVNEUQWMAUDN-UHFFFAOYSA-N -1 1 331.799 4.277 20 30 EIEDMM CC(F)(F)CC(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000331245606 1027944697 /nfs/dbraw/zinc/94/46/97/1027944697.db2.gz RMNVPOBSCJIDSK-UHFFFAOYSA-N -1 1 340.370 4.013 20 30 EIEDMM CCCNc1ccc(C#N)cc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000527467492 1030706991 /nfs/dbraw/zinc/70/69/91/1030706991.db2.gz JPEDLZWTJKUGAE-UHFFFAOYSA-N -1 1 345.402 4.491 20 30 EIEDMM CC[C@@H](C)c1ccccc1OCC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000026252489 1031047638 /nfs/dbraw/zinc/04/76/38/1031047638.db2.gz HVUBZULXWDQZET-SECBINFHSA-N -1 1 342.321 4.004 20 30 EIEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(Cl)cc1Cl ZINC000614292929 1033952246 /nfs/dbraw/zinc/95/22/46/1033952246.db2.gz IUYOQRFJIYEHCD-SECBINFHSA-N -1 1 335.190 4.062 20 30 EIEDMM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614295719 1033969840 /nfs/dbraw/zinc/96/98/40/1033969840.db2.gz YTKWKSCQFRSECQ-SNVBAGLBSA-N -1 1 349.217 4.404 20 30 EIEDMM N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000031934454 1035592973 /nfs/dbraw/zinc/59/29/73/1035592973.db2.gz RLHUCAWVYSLMSB-LJQANCHMSA-N -1 1 328.371 4.300 20 30 EIEDMM O=C1c2ccc(O)cc2CC/C1=C\c1ccc([O-])c(Br)c1 ZINC000060364433 1036046371 /nfs/dbraw/zinc/04/63/71/1036046371.db2.gz YPBQGKCLCAADTM-KPKJPENVSA-N -1 1 345.192 4.073 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)Nc2nc(/C=C/c3ccccc3)cs2)c1 ZINC000589182108 1036699223 /nfs/dbraw/zinc/69/92/23/1036699223.db2.gz PBLGSGXCWPPTME-VOTSOKGWSA-N -1 1 347.399 4.143 20 30 EIEDMM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589168065 1037321131 /nfs/dbraw/zinc/32/11/31/1037321131.db2.gz WKAGUUNWOGQBJU-JTQLQIEISA-N -1 1 349.217 4.404 20 30 EIEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc3ccccc32)ccc1Cl ZINC000515620204 1040904916 /nfs/dbraw/zinc/90/49/16/1040904916.db2.gz NXCJCWFXQHTOBJ-UHFFFAOYSA-N -1 1 342.807 4.166 20 30 EIEDMM COc1ccc([O-])c(C(=O)/C=C\c2nc3ccc(F)cc3s2)c1 ZINC000761480696 1042734250 /nfs/dbraw/zinc/73/42/50/1042734250.db2.gz SBQPKVNKJJJSLY-SREVYHEPSA-N -1 1 329.352 4.046 20 30 EIEDMM N#CC(=C([O-])c1cccc([C@H]2CCOC2)c1)c1nc2ccccc2s1 ZINC000536441031 1042869670 /nfs/dbraw/zinc/86/96/70/1042869670.db2.gz BILADSFHJRQTCN-JKSUJKDBSA-N -1 1 348.427 4.290 20 30 EIEDMM CCCC(C)N=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000727058465 1043126975 /nfs/dbraw/zinc/12/69/75/1043126975.db2.gz OVIBLSHQUOBWQM-UHFFFAOYSA-N -1 1 331.441 4.075 20 30 EIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000191570805 1043827004 /nfs/dbraw/zinc/82/70/04/1043827004.db2.gz PJIZPBAGYNFURK-UHFFFAOYSA-N -1 1 333.428 4.478 20 30 EIEDMM CCC(CC)[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccs1 ZINC000442945706 1043910832 /nfs/dbraw/zinc/91/08/32/1043910832.db2.gz XFIZPLLSLXEDGE-KRWDZBQOSA-N -1 1 328.437 4.233 20 30 EIEDMM CN(Cc1ccccc1-c1ccccc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442969449 1043932347 /nfs/dbraw/zinc/93/23/47/1043932347.db2.gz YJQQVEBQBDPQJA-UHFFFAOYSA-N -1 1 342.398 4.203 20 30 EIEDMM N#Cc1ccc(C(=O)N2CCC[C@@H](CCCc3ccccc3)C2)cc1[O-] ZINC000443054995 1043995119 /nfs/dbraw/zinc/99/51/19/1043995119.db2.gz DLGVUENKPJYZOS-GOSISDBHSA-N -1 1 348.446 4.139 20 30 EIEDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)cc1 ZINC000066814182 1045730924 /nfs/dbraw/zinc/73/09/24/1045730924.db2.gz RWEUTOXNUQVTNA-AWEZNQCLSA-N -1 1 346.477 4.190 20 30 EIEDMM N#Cc1c(Br)cccc1Nc1ccc([O-])c(F)c1F ZINC001212009547 1045832299 /nfs/dbraw/zinc/83/22/99/1045832299.db2.gz SBPHOKGVXREMQG-UHFFFAOYSA-N -1 1 325.112 4.048 20 30 EIEDMM N#CC(=C([O-])c1nccc2ccccc21)c1ccc(C(F)(F)F)cn1 ZINC000073087546 1045802394 /nfs/dbraw/zinc/80/23/94/1045802394.db2.gz PLSYRTSXZVZSMN-AWEZNQCLSA-N -1 1 341.292 4.139 20 30 EIEDMM COc1ccc([O-])c(C(=O)/C=C\c2cccc(-c3cccnc3)c2)c1 ZINC000768490379 1045814796 /nfs/dbraw/zinc/81/47/96/1045814796.db2.gz OCEVCMNUPBVKED-CLFYSBASSA-N -1 1 331.371 4.359 20 30 EIEDMM CC(=NNCc1cccc2cccnc21)c1ccc([O-])c(Cl)c1 ZINC000768771182 1045839481 /nfs/dbraw/zinc/83/94/81/1045839481.db2.gz BDKKIINFSBCIRO-UHFFFAOYSA-N -1 1 325.799 4.108 20 30 EIEDMM O=C(/C=C\c1ccc([O-])c(Br)c1)c1cc(F)ccc1F ZINC000916134947 1045935380 /nfs/dbraw/zinc/93/53/80/1045935380.db2.gz UORPSCXKEMAOFW-KTAJNNJTSA-N -1 1 339.135 4.329 20 30 EIEDMM CCC(N=Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccc(OC)cc1 ZINC000916259489 1045965336 /nfs/dbraw/zinc/96/53/36/1045965336.db2.gz KETOMKDRGPMQHO-UHFFFAOYSA-N -1 1 332.787 4.273 20 30 EIEDMM C[C@@H]1CCc2sc(C([O-])=C(C#N)c3nc4ccccc4n3C)cc2C1 ZINC000123452022 1046124755 /nfs/dbraw/zinc/12/47/55/1046124755.db2.gz VJXXTHNDBLDDOK-TZMCWYRMSA-N -1 1 349.459 4.250 20 30 EIEDMM N#CC(=C([O-])C=Cc1ccc(-c2ccc(F)cc2)s1)c1ccncn1 ZINC000760341706 1047331643 /nfs/dbraw/zinc/33/16/43/1047331643.db2.gz TXMKHCJPMMCVER-WRLNGNIRSA-N -1 1 349.390 4.234 20 30 EIEDMM N#CC(=C([O-])C=Cc1ccc(-c2ccc(F)cc2)s1)c1ccncn1 ZINC000760341705 1047332338 /nfs/dbraw/zinc/33/23/38/1047332338.db2.gz TXMKHCJPMMCVER-GMNBZTITSA-N -1 1 349.390 4.234 20 30 EIEDMM Cn1cc(/C=C\C(=O)c2ccc([O-])cc2)c(-c2cc3ccccc3o2)n1 ZINC000920062976 1048407825 /nfs/dbraw/zinc/40/78/25/1048407825.db2.gz LVQZEJFFBAQYDJ-FLIBITNWSA-N -1 1 344.370 4.435 20 30 EIEDMM CC(C)(C)c1ccc(NN=C2CCCc3c(C#N)c(=O)[n-]cc32)cc1 ZINC000844590753 1048416365 /nfs/dbraw/zinc/41/63/65/1048416365.db2.gz USPJSTJVBBOPSK-UHFFFAOYSA-N -1 1 334.423 4.109 20 30 EIEDMM N#Cc1ccc(C(=O)Oc2ccc3oc4ccccc4c3c2)cc1[O-] ZINC001135685542 1048857589 /nfs/dbraw/zinc/85/75/89/1048857589.db2.gz LDQZAZLCVZLWPO-UHFFFAOYSA-N -1 1 329.311 4.382 20 30 EIEDMM N#CCN(Cc1ccccc1)C(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148866510 1049391315 /nfs/dbraw/zinc/39/13/15/1049391315.db2.gz KMHZTDIJUIVPJJ-UHFFFAOYSA-N -1 1 342.398 4.225 20 30 EIEDMM CC(C)(CCC#N)c1ccc(C(=O)Nc2ccc(C#N)cc2[O-])cc1 ZINC001148909455 1049398106 /nfs/dbraw/zinc/39/81/06/1049398106.db2.gz VKMXXWDGKQGIJA-UHFFFAOYSA-N -1 1 333.391 4.098 20 30 EIEDMM O=C1c2cccc(Br)c2C/C1=C\c1ccc([O-])c(F)c1 ZINC000773164658 1049624302 /nfs/dbraw/zinc/62/43/02/1049624302.db2.gz QQCVRUHYXAROCO-UXBLZVDNSA-N -1 1 333.156 4.116 20 30 EIEDMM O=C1c2cccc(Br)c2C/C1=C/c1ccc([O-])c(F)c1 ZINC000773164657 1049625537 /nfs/dbraw/zinc/62/55/37/1049625537.db2.gz QQCVRUHYXAROCO-POHAHGRESA-N -1 1 333.156 4.116 20 30 EIEDMM CCCCCCCCS(=O)(=O)[N-]c1c(F)c(F)ccc1OC ZINC001188018156 1050679729 /nfs/dbraw/zinc/67/97/29/1050679729.db2.gz WIZIYSNSRDPSNT-UHFFFAOYSA-N -1 1 335.416 4.076 20 30 EIEDMM Cc1ccc(C(C)C)c([O-])c1C(=O)Nc1cc(F)c(C#N)cc1C ZINC001188182057 1050716319 /nfs/dbraw/zinc/71/63/19/1050716319.db2.gz USVYIVKGBHRRMA-UHFFFAOYSA-N -1 1 326.371 4.396 20 30 EIEDMM N#Cc1ccc(NC(=O)Cc2ccccc2Oc2ccccc2)c([O-])c1 ZINC001179877461 1050812888 /nfs/dbraw/zinc/81/28/88/1050812888.db2.gz YEOBOALWVYUOFW-UHFFFAOYSA-N -1 1 344.370 4.237 20 30 EIEDMM N#Cc1ccc(NC(=O)Cc2csc3ccc(Cl)cc23)c([O-])c1 ZINC001181425657 1051221778 /nfs/dbraw/zinc/22/17/78/1051221778.db2.gz WXQPTBRCUFAMQQ-UHFFFAOYSA-N -1 1 342.807 4.313 20 30 EIEDMM CCCCCCCCNC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001191072664 1051340671 /nfs/dbraw/zinc/34/06/71/1051340671.db2.gz RRFFAMGLUDGVIN-UHFFFAOYSA-N -1 1 330.432 4.060 20 30 EIEDMM N#Cc1cccc(Br)c1Nc1c(F)cc([O-])cc1F ZINC001175097691 1051380539 /nfs/dbraw/zinc/38/05/39/1051380539.db2.gz ULRRBYLCYPTZNR-UHFFFAOYSA-N -1 1 325.112 4.048 20 30 EIEDMM CCCCc1ccc(S(=O)(=O)[N-]c2cc(F)c(C#N)cc2C)cc1 ZINC001191254544 1051396752 /nfs/dbraw/zinc/39/67/52/1051396752.db2.gz WTZKMUUYSGFICE-UHFFFAOYSA-N -1 1 346.427 4.149 20 30 EIEDMM N#Cc1c(F)cc(Br)cc1Nc1c(F)ccc([O-])c1F ZINC001175269137 1051507094 /nfs/dbraw/zinc/50/70/94/1051507094.db2.gz DLLRROQCZTXOFD-UHFFFAOYSA-N -1 1 343.102 4.187 20 30 EIEDMM [O-]c1c(F)cc(F)c(Nc2ncc(C(F)(F)F)cc2F)c1F ZINC001176663249 1052173171 /nfs/dbraw/zinc/17/31/71/1052173171.db2.gz DMZAISMZGBZKIW-UHFFFAOYSA-N -1 1 326.171 4.106 20 30 EIEDMM C=CC[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2cc1[O-] ZINC001299259983 1052806261 /nfs/dbraw/zinc/80/62/61/1052806261.db2.gz PUHOCHBUAAVKRT-LJQANCHMSA-N -1 1 331.415 4.463 20 30 EIEDMM Cc1cc(C)c(NC(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)cn1 ZINC001196308999 1053627030 /nfs/dbraw/zinc/62/70/30/1053627030.db2.gz ICRLGYUDXDTYMM-UHFFFAOYSA-N -1 1 343.386 4.195 20 30 EIEDMM CC[C@@H](C)C[C@@H](C)NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196321176 1053636211 /nfs/dbraw/zinc/63/62/11/1053636211.db2.gz VWVXLOORWDISTL-HUUCEWRRSA-N -1 1 336.435 4.485 20 30 EIEDMM N#Cc1ccc(NC(=S)Nc2ccccc2C(F)(F)F)c([O-])c1 ZINC001197263600 1053865251 /nfs/dbraw/zinc/86/52/51/1053865251.db2.gz VLBQDGVXPWPBEJ-UHFFFAOYSA-N -1 1 337.326 4.092 20 30 EIEDMM CC(C)(C)OC(=O)N=c1[n-]c(C=NOCc2ccccc2)cs1 ZINC000872340631 1054440154 /nfs/dbraw/zinc/44/01/54/1054440154.db2.gz ITPHZPYNEOQGHF-UHFFFAOYSA-N -1 1 333.413 4.041 20 30 EIEDMM N#Cc1c([O-])csc1NC(=S)Nc1cc(Cl)ccc1Cl ZINC001201075858 1054668376 /nfs/dbraw/zinc/66/83/76/1054668376.db2.gz SQVIBDBNQIPDNY-UHFFFAOYSA-N -1 1 344.248 4.441 20 30 EIEDMM N#Cc1ccc(C2(C(=O)Nc3ccc([O-])c(Cl)c3)CCCC2)cc1 ZINC000860315647 1054800174 /nfs/dbraw/zinc/80/01/74/1054800174.db2.gz QJOPUEIGYQBUGT-UHFFFAOYSA-N -1 1 340.810 4.368 20 30 EIEDMM O=C1c2ccc([O-])cc2CC/C1=C\c1ccccc1Br ZINC000013675258 1054961797 /nfs/dbraw/zinc/96/17/97/1054961797.db2.gz HNYNQFHAPYTDTM-UKTHLTGXSA-N -1 1 329.193 4.367 20 30 EIEDMM Cc1cc(C(=O)[N-]c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)on1 ZINC000061053013 1056562691 /nfs/dbraw/zinc/56/26/91/1056562691.db2.gz VJAJRSSGCOEUCJ-NSHDSACASA-N -1 1 343.452 4.320 20 30 EIEDMM N#CC(=C([O-])c1ccc(Cl)s1)c1ccc(C(F)(F)F)cn1 ZINC000075439020 1033629365 /nfs/dbraw/zinc/62/93/65/1033629365.db2.gz WMEFSNCJPAUEAY-QMMMGPOBSA-N -1 1 330.718 4.305 20 30 EIEDMM COc1cc(F)c(C(=O)/C=C/c2ccc([O-])c(Cl)c2)cc1OC ZINC000760271112 1032196780 /nfs/dbraw/zinc/19/67/80/1032196780.db2.gz YHOWODYPZGXUHO-HWKANZROSA-N -1 1 336.746 4.098 20 30 EIEDMM C[C@@H]1Cc2c(C#N)c([N-]C(=O)c3c(F)ccnc3F)sc2[C@@H](C)C1 ZINC000891171960 1021448331 /nfs/dbraw/zinc/44/83/31/1021448331.db2.gz FNGDLCQKTSOKIM-IUCAKERBSA-N -1 1 347.390 4.231 20 30 EIEDMM C[C@@H]1CCc2sc([N-]C(=O)c3c(F)ccnc3F)c(C#N)c2[C@@H]1C ZINC000891180855 1021478023 /nfs/dbraw/zinc/47/80/23/1021478023.db2.gz KNGZZAUAFJZYGL-RKDXNWHRSA-N -1 1 347.390 4.231 20 30 EIEDMM Cc1c(=O)[n-]c(S[C@@H](C#N)Cc2ccccc2)nc1-c1ccccc1 ZINC000613451532 1022050536 /nfs/dbraw/zinc/05/05/36/1022050536.db2.gz MOBREQJEXODDRX-QGZVFWFLSA-N -1 1 347.443 4.385 20 30 EIEDMM O=C(/C=C\c1ccc([O-])c(Br)c1)c1cccc(F)c1F ZINC000588386893 1022387229 /nfs/dbraw/zinc/38/72/29/1022387229.db2.gz LGDRCMOVABKKBT-XQRVVYSFSA-N -1 1 339.135 4.329 20 30 EIEDMM Cc1csc(C(C#N)=C([O-])c2ccc3[nH]c4c(c3c2)CCCC4)n1 ZINC000041521599 1022538113 /nfs/dbraw/zinc/53/81/13/1022538113.db2.gz XPAORYDRGBSVIJ-OAHLLOKOSA-N -1 1 335.432 4.302 20 30 EIEDMM N#Cc1ccc(NCc2cccc(Br)c2[O-])c(Cl)c1 ZINC000236588903 1022948429 /nfs/dbraw/zinc/94/84/29/1022948429.db2.gz UQGSBSZRFBHYQT-UHFFFAOYSA-N -1 1 337.604 4.292 20 30 EIEDMM C=C1C[C@H]2CC[C@@H](C1)N2Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000659802522 1023281544 /nfs/dbraw/zinc/28/15/44/1023281544.db2.gz XMXWHNPZMGNIMD-CALCHBBNSA-N -1 1 340.448 4.191 20 30 EIEDMM CC(C)c1ccc([C@H](CC(=O)[O-])NCc2ccc(C#N)cc2F)cc1 ZINC000417564620 1023360216 /nfs/dbraw/zinc/36/02/16/1023360216.db2.gz FWLRBGWGBCFXJF-IBGZPJMESA-N -1 1 340.398 4.126 20 30 EIEDMM COc1cc(/C=C\C(=O)c2ccc([O-])cc2)c(SC)cc1OC ZINC000255362534 1023606660 /nfs/dbraw/zinc/60/66/60/1023606660.db2.gz AXKSAAIOJASSIH-TWGQIWQCSA-N -1 1 330.405 4.027 20 30 EIEDMM C=CCCS(=O)(=O)[N-]c1ccccc1O[C@H](C)c1ccccc1 ZINC000431189818 1024828237 /nfs/dbraw/zinc/82/82/37/1024828237.db2.gz GSDIEPUZWJKCQY-OAHLLOKOSA-N -1 1 331.437 4.144 20 30 EIEDMM C[C@H](CCCC(F)(F)F)[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC001271650009 1027223126 /nfs/dbraw/zinc/22/31/26/1027223126.db2.gz QPIWKFSQAUAFGO-MRVPVSSYSA-N -1 1 345.258 4.294 20 30 EIEDMM N#CC(=C([O-])c1ccc(-n2cccc2)cc1)c1nc2ccccc2o1 ZINC000041544066 1027528329 /nfs/dbraw/zinc/52/83/29/1027528329.db2.gz VDEXOQQOKQXTCE-MRXNPFEDSA-N -1 1 327.343 4.109 20 30 EIEDMM CCOc1cc(C(=O)NC2CCC(F)(F)CC2)cc(Cl)c1[O-] ZINC000330892977 1027899029 /nfs/dbraw/zinc/89/90/29/1027899029.db2.gz YGNCLAJQPANSQL-UHFFFAOYSA-N -1 1 333.762 4.327 20 30 EIEDMM C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1ncc(F)cc1F ZINC000192294243 1027928006 /nfs/dbraw/zinc/92/80/06/1027928006.db2.gz FNCOGWNMKXZSNB-JTQLQIEISA-N -1 1 333.363 4.006 20 30 EIEDMM Cc1csc(C(C#N)=C([O-])c2ccc(-c3ccccc3)nc2C)n1 ZINC000193269761 1030736216 /nfs/dbraw/zinc/73/62/16/1030736216.db2.gz WHRZVBKWQIYZRR-INIZCTEOSA-N -1 1 333.416 4.312 20 30 EIEDMM O=C(/C=C/c1ccc([O-])c(Br)c1)c1ccc(Cl)nc1 ZINC000179411510 1031057433 /nfs/dbraw/zinc/05/74/33/1031057433.db2.gz UINBLSSMSOWWKL-DAFODLJHSA-N -1 1 338.588 4.099 20 30 EIEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1cccc(Cl)c1Cl ZINC000614369896 1034474267 /nfs/dbraw/zinc/47/42/67/1034474267.db2.gz OOSOLFQSSNOJLC-VIFPVBQESA-N -1 1 335.190 4.062 20 30 EIEDMM CCSc1ccc(Cl)cc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614366580 1034477577 /nfs/dbraw/zinc/47/75/77/1034477577.db2.gz LKRWLSCJDKOKRA-UHFFFAOYSA-N -1 1 332.812 4.282 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc3nc(C(F)F)sc3c2)c1 ZINC000588054722 1036211650 /nfs/dbraw/zinc/21/16/50/1036211650.db2.gz RZSCZMBPGQFQNX-UHFFFAOYSA-N -1 1 345.330 4.063 20 30 EIEDMM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589168031 1036681177 /nfs/dbraw/zinc/68/11/77/1036681177.db2.gz SNHOUCTTWBRXLE-LLVKDONJSA-N -1 1 348.324 4.116 20 30 EIEDMM COCc1cccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)c1 ZINC000592974608 1037883036 /nfs/dbraw/zinc/88/30/36/1037883036.db2.gz VITPBLXYAGXDDN-CQSZACIVSA-N -1 1 340.379 4.072 20 30 EIEDMM Cc1cc(C(C#N)=C([O-])c2cc3c(s2)CCCCCC3)nc(C)n1 ZINC000041574862 1039571261 /nfs/dbraw/zinc/57/12/61/1039571261.db2.gz QSGAZTATULOPDG-HNNXBMFYSA-N -1 1 339.464 4.304 20 30 EIEDMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(Cl)o2)cc1 ZINC000128598348 1039816029 /nfs/dbraw/zinc/81/60/29/1039816029.db2.gz TZIWPYPHNOPEMV-AWEZNQCLSA-N -1 1 344.798 4.237 20 30 EIEDMM N#Cc1ccc(C(=O)N2CCCCC[C@@H]2/C=C\c2ccccc2)cc1[O-] ZINC000443299749 1041281295 /nfs/dbraw/zinc/28/12/95/1041281295.db2.gz XOUFVTWLLCCZRB-KTZABMDBSA-N -1 1 346.430 4.362 20 30 EIEDMM N#CCC[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1ccccc1 ZINC000436599725 1041358789 /nfs/dbraw/zinc/35/87/89/1041358789.db2.gz BWXNVIYRYTVXFH-LJQANCHMSA-N -1 1 330.387 4.320 20 30 EIEDMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1 ZINC000029972219 1042458187 /nfs/dbraw/zinc/45/81/87/1042458187.db2.gz UVINMWWSMHNXFI-AWEZNQCLSA-N -1 1 328.437 4.067 20 30 EIEDMM CCC(N=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C(C)C ZINC000727058483 1043125711 /nfs/dbraw/zinc/12/57/11/1043125711.db2.gz PQBNRMPWFRIZRW-UHFFFAOYSA-N -1 1 345.468 4.321 20 30 EIEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)C1(c2ccc(F)cc2)CCCC1 ZINC000076946870 1043182154 /nfs/dbraw/zinc/18/21/54/1043182154.db2.gz LIIVZFZLSSXVJW-UHFFFAOYSA-N -1 1 342.296 4.063 20 30 EIEDMM N#Cc1ccc(COC(=O)c2ccc(Cl)c(Cl)c2[O-])c(F)c1 ZINC000730362774 1043499208 /nfs/dbraw/zinc/49/92/08/1043499208.db2.gz VJYSLFFPZPDTJU-UHFFFAOYSA-N -1 1 340.137 4.067 20 30 EIEDMM Cc1ccc2c(c1)C(=O)/C(=C/c1ccc([O-])c(Br)c1)C2 ZINC000730948483 1043657814 /nfs/dbraw/zinc/65/78/14/1043657814.db2.gz FVPCEDKRODIUAK-NTUHNPAUSA-N -1 1 329.193 4.286 20 30 EIEDMM CC(C)Oc1ccc(C#N)cc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000190951545 1043753979 /nfs/dbraw/zinc/75/39/79/1043753979.db2.gz XGGXMLKFYYTUSF-UHFFFAOYSA-N -1 1 345.786 4.348 20 30 EIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000191570033 1043827206 /nfs/dbraw/zinc/82/72/06/1043827206.db2.gz WEDFUOZRTITXJR-UHFFFAOYSA-N -1 1 340.448 4.211 20 30 EIEDMM CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442942663 1043910098 /nfs/dbraw/zinc/91/00/98/1043910098.db2.gz QHJXHRBBVLBLOA-UHFFFAOYSA-N -1 1 349.217 4.233 20 30 EIEDMM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442963090 1043924052 /nfs/dbraw/zinc/92/40/52/1043924052.db2.gz IEGOEVRIGMOLFU-HNNXBMFYSA-N -1 1 334.419 4.267 20 30 EIEDMM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(F)ccc1[O-] ZINC000094125839 1044528316 /nfs/dbraw/zinc/52/83/16/1044528316.db2.gz FZOZHWBIBRZNME-NSHDSACASA-N -1 1 330.384 4.178 20 30 EIEDMM Cc1c2cccc(Cl)c2oc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000071845310 1044813713 /nfs/dbraw/zinc/81/37/13/1044813713.db2.gz LXPRIDJGLVZHKY-UHFFFAOYSA-N -1 1 344.680 4.168 20 30 EIEDMM N#CC(=C([O-])c1ccc2[nH]cnc2c1)c1nc(-c2ccccc2)cs1 ZINC000915102224 1045097339 /nfs/dbraw/zinc/09/73/39/1045097339.db2.gz PKGYEZGKRPXKGS-CQSZACIVSA-N -1 1 344.399 4.176 20 30 EIEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1csc(-c3ccccc3)n1)O2 ZINC000915988756 1045862403 /nfs/dbraw/zinc/86/24/03/1045862403.db2.gz FWQTYWOMCDOLPS-LZYBPNLTSA-N -1 1 335.384 4.440 20 30 EIEDMM Cc1cc(Br)c([O-])c(C=NOCc2ccc(F)cc2)c1 ZINC000758142604 1046137794 /nfs/dbraw/zinc/13/77/94/1046137794.db2.gz GPMRPIRLCRGFGE-UHFFFAOYSA-N -1 1 338.176 4.153 20 30 EIEDMM N#CC(=C([O-])c1cccn1Cc1cccs1)c1nc2ccccc2o1 ZINC000066516623 1046639397 /nfs/dbraw/zinc/63/93/97/1046639397.db2.gz YASZJRQWTIBREU-CQSZACIVSA-N -1 1 347.399 4.229 20 30 EIEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000918156824 1047364448 /nfs/dbraw/zinc/36/44/48/1047364448.db2.gz UNUQCWBMWJYGSC-UHFFFAOYSA-N -1 1 333.412 4.136 20 30 EIEDMM Cc1sccc1C=Nn1c(=S)[n-]nc1SCc1ccccc1 ZINC000814767891 1048162982 /nfs/dbraw/zinc/16/29/82/1048162982.db2.gz ZEPUJBJNJIJOOT-UHFFFAOYSA-N -1 1 346.506 4.111 20 30 EIEDMM N#Cc1ccc(/C=C2/Cc3cc([O-])ccc3C2=O)c(C(F)(F)F)c1 ZINC000811693084 1049230376 /nfs/dbraw/zinc/23/03/76/1049230376.db2.gz GQUOAGQQGHPXFV-MLPAPPSSSA-N -1 1 329.277 4.105 20 30 EIEDMM CCC(N=Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccc(C#N)cc1 ZINC000772990242 1049301421 /nfs/dbraw/zinc/30/14/21/1049301421.db2.gz MKAVWUGLSZONMH-UHFFFAOYSA-N -1 1 327.771 4.136 20 30 EIEDMM CSc1ccc([O-])c(C(=O)Nc2cc(C#N)ccc2OC(C)C)c1 ZINC001136409349 1049592533 /nfs/dbraw/zinc/59/25/33/1049592533.db2.gz OHQAPRHULUMXBX-UHFFFAOYSA-N -1 1 342.420 4.025 20 30 EIEDMM Nc1c(Cl)cc(C(=O)/C=C/c2ccc([O-])c(F)c2)cc1Cl ZINC000773159226 1049620529 /nfs/dbraw/zinc/62/05/29/1049620529.db2.gz GRLVHSXURRWBQP-HNQUOIGGSA-N -1 1 326.154 4.316 20 30 EIEDMM N#CC(=C([O-])C=Cc1cccc(F)c1)c1cc(C(F)(F)F)ccn1 ZINC000813215890 1049710195 /nfs/dbraw/zinc/71/01/95/1049710195.db2.gz CLLAZZRPWDNUND-WSNITJDQSA-N -1 1 334.272 4.129 20 30 EIEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc2sccc2s1 ZINC000617896347 1050123068 /nfs/dbraw/zinc/12/30/68/1050123068.db2.gz HXGXDHSLCMLKPL-JTQLQIEISA-N -1 1 337.429 4.340 20 30 EIEDMM N#Cc1ccc(-c2ccc(-c3noc(-c4ccncc4[O-])n3)cc2)cc1 ZINC001212721317 1050430857 /nfs/dbraw/zinc/43/08/57/1050430857.db2.gz KDYZRJRPXHBFPR-UHFFFAOYSA-N -1 1 340.342 4.043 20 30 EIEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c2ccccc12 ZINC001190461370 1051191974 /nfs/dbraw/zinc/19/19/74/1051191974.db2.gz SDBGDQOTJMNBIG-UHFFFAOYSA-N -1 1 348.427 4.390 20 30 EIEDMM N#Cc1ccc(NC(=O)CC2c3ccccc3-c3ccccc32)c([O-])c1 ZINC001181308707 1051205034 /nfs/dbraw/zinc/20/50/34/1051205034.db2.gz PWQHAAVRZZLEOB-UHFFFAOYSA-N -1 1 340.382 4.405 20 30 EIEDMM C=CCC1(S(=O)(=O)[N-]c2ccccc2OCc2ccccc2)CC1 ZINC001190805962 1051281107 /nfs/dbraw/zinc/28/11/07/1051281107.db2.gz YUKWJSBOUSFIBK-UHFFFAOYSA-N -1 1 343.448 4.116 20 30 EIEDMM N#Cc1cccc([O-])c1NC(=O)Nc1cc(F)cc(C(F)(F)F)c1 ZINC001191587054 1051484240 /nfs/dbraw/zinc/48/42/40/1051484240.db2.gz ZGQVCVQNOWPAPZ-UHFFFAOYSA-N -1 1 339.248 4.066 20 30 EIEDMM COc1c(Cl)c(Cl)sc1C(=O)[N-]c1occ(C)c1C#N ZINC001194549390 1052167687 /nfs/dbraw/zinc/16/76/87/1052167687.db2.gz ZRCLMSDBLWQIPS-UHFFFAOYSA-N -1 1 331.180 4.089 20 30 EIEDMM CCOc1cc(C(=O)[N-]c2c(C#N)oc3ccccc32)c(Cl)cn1 ZINC001185490118 1052258798 /nfs/dbraw/zinc/25/87/98/1052258798.db2.gz CAAMLYGYVQVWJL-UHFFFAOYSA-N -1 1 341.754 4.004 20 30 EIEDMM N#CCCn1cc(/C=C\C(=O)c2ccc([O-])cc2)c(-c2ccccc2)n1 ZINC000211365162 1052583180 /nfs/dbraw/zinc/58/31/80/1052583180.db2.gz ITKWGDTWRQAHTI-XFXZXTDPSA-N -1 1 343.386 4.065 20 30 EIEDMM CCc1cc(C#N)ccc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC001195153266 1053306970 /nfs/dbraw/zinc/30/69/70/1053306970.db2.gz JIWAIUINQKDOEN-UHFFFAOYSA-N -1 1 328.437 4.045 20 30 EIEDMM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1sccc1C(F)(F)F ZINC001195217699 1053337199 /nfs/dbraw/zinc/33/71/99/1053337199.db2.gz LGPBVHYSEDALTB-UHFFFAOYSA-N -1 1 332.253 4.169 20 30 EIEDMM O=C1c2ccc([O-])cc2C/C1=C\c1c(Cl)nc2cc(Cl)ccn12 ZINC000794715175 1053348744 /nfs/dbraw/zinc/34/87/44/1053348744.db2.gz VCAFJDJFPHGIMF-JXMROGBWSA-N -1 1 345.185 4.169 20 30 EIEDMM CCCC(=O)Nc1cccc(N[C@H](C)c2cccc(C#N)c2[O-])c1C ZINC000866316260 1053689029 /nfs/dbraw/zinc/68/90/29/1053689029.db2.gz PMTVGYWHJHNYQY-CQSZACIVSA-N -1 1 337.423 4.484 20 30 EIEDMM Cc1c(C(=O)/C=C/c2ccc([O-])c(F)c2)cnn1-c1ccc(F)cc1 ZINC000121128360 1053799361 /nfs/dbraw/zinc/79/93/61/1053799361.db2.gz LYLQQPFNNSANMR-KRXBUXKQSA-N -1 1 340.329 4.061 20 30 EIEDMM CC(C)(C)n1ncc(C(=O)[N-]c2c(C#N)oc3ccccc32)c1Cl ZINC001196944996 1053810378 /nfs/dbraw/zinc/81/03/78/1053810378.db2.gz DRRONELCMHWVCS-UHFFFAOYSA-N -1 1 342.786 4.162 20 30 EIEDMM O=C1c2cc(O)ccc2CC/C1=C/c1ccc([O-])c(Br)c1 ZINC000794960287 1053831812 /nfs/dbraw/zinc/83/18/12/1053831812.db2.gz QFNUQCVRWCFYRH-GHXNOFRVSA-N -1 1 345.192 4.073 20 30 EIEDMM N#Cc1ccc(-c2csc(Nc3cc([O-])cc([N+](=O)[O-])c3)n2)s1 ZINC001199828412 1054482830 /nfs/dbraw/zinc/48/28/30/1054482830.db2.gz GRVNFCKGPKMKDM-UHFFFAOYSA-N -1 1 344.377 4.101 20 30 EIEDMM N#CC(=C([O-])c1ccc(C(F)(F)F)s1)c1nc2ccccc2[nH]1 ZINC000671745206 1054914227 /nfs/dbraw/zinc/91/42/27/1054914227.db2.gz BOMDKMMNUSTGTN-MRVPVSSYSA-N -1 1 335.310 4.133 20 30 EIEDMM O=C1c2ccc([O-])cc2C/C1=C/c1csc(-c2cccs2)n1 ZINC000187225729 1060088024 /nfs/dbraw/zinc/08/80/24/1060088024.db2.gz RICQVPNDDXUFKO-XFFZJAGNSA-N -1 1 325.414 4.400 20 30 EIEDMM O=C([N-][C@H](c1ccccc1C(F)(F)F)C(F)(F)F)[C@H]1CC1(F)F ZINC000450509282 1032536480 /nfs/dbraw/zinc/53/64/80/1032536480.db2.gz JDOOEHQBUNEFCJ-RKDXNWHRSA-N -1 1 347.205 4.080 20 30 EIEDMM COc1cc(OC)c(C(=O)/C=C\c2ccc([O-])c(F)c2)cc1Cl ZINC000255109286 1020972468 /nfs/dbraw/zinc/97/24/68/1020972468.db2.gz SHKVMDGALKSTEG-HYXAFXHYSA-N -1 1 336.746 4.098 20 30 EIEDMM COc1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cc1F ZINC000430592391 1023145018 /nfs/dbraw/zinc/14/50/18/1023145018.db2.gz GYGSZPRYUKLWMN-LLVKDONJSA-N -1 1 332.400 4.078 20 30 EIEDMM Cc1csc(C(C#N)=C([O-])c2c(C)[nH]c3ccc(Cl)cc32)n1 ZINC000151995085 1024857309 /nfs/dbraw/zinc/85/73/09/1024857309.db2.gz ZFPALZLWZCXFAY-LBPRGKRZSA-N -1 1 329.812 4.385 20 30 EIEDMM CC(=NNc1ccc(Br)cc1C)c1ccc(F)cc1[O-] ZINC000728432996 1025398288 /nfs/dbraw/zinc/39/82/88/1025398288.db2.gz MMUPYCHDOHRSBC-UHFFFAOYSA-N -1 1 337.192 4.438 20 30 EIEDMM C[C@@H](CCCC(F)(F)F)[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC001271650014 1027223519 /nfs/dbraw/zinc/22/35/19/1027223519.db2.gz QPIWKFSQAUAFGO-QMMMGPOBSA-N -1 1 345.258 4.294 20 30 EIEDMM Cn1cc(Cl)cc1C([O-])=C(C#N)c1nc(-c2ccccc2)cs1 ZINC000041533338 1027527057 /nfs/dbraw/zinc/52/70/57/1027527057.db2.gz UXWPENPBVUUUMA-ZDUSSCGKSA-N -1 1 341.823 4.292 20 30 EIEDMM N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cccc(Cl)c2)cc1[O-] ZINC000444657945 1027927098 /nfs/dbraw/zinc/92/70/98/1027927098.db2.gz FBRTZZYAZDNSOI-QGZVFWFLSA-N -1 1 340.810 4.285 20 30 EIEDMM CC[C@@H](C)c1cc(C(=O)[N-]c2ccccc2SCCC#N)on1 ZINC000154981695 1028326654 /nfs/dbraw/zinc/32/66/54/1028326654.db2.gz NNVMOZZATUJUBC-GFCCVEGCSA-N -1 1 329.425 4.446 20 30 EIEDMM COc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1Cl ZINC000647380246 1030912567 /nfs/dbraw/zinc/91/25/67/1030912567.db2.gz WQDAHSARDQWLEL-NSHDSACASA-N -1 1 332.812 4.173 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccccc2Oc2ccccc2)c1 ZINC000614357769 1034465277 /nfs/dbraw/zinc/46/52/77/1034465277.db2.gz ZRGUJXGHCGYITP-UHFFFAOYSA-N -1 1 330.343 4.308 20 30 EIEDMM CCc1ccc(Cl)c(CC)c1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000016094756 1035732408 /nfs/dbraw/zinc/73/24/08/1035732408.db2.gz BEHLBDVXWOVKOO-UHFFFAOYSA-N -1 1 348.855 4.137 20 30 EIEDMM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589173204 1036685578 /nfs/dbraw/zinc/68/55/78/1036685578.db2.gz DBUNQZZHYWWNBE-VQTJNVASSA-N -1 1 334.419 4.062 20 30 EIEDMM CCCCN(C(=O)c1cc([O-])cc(C#N)c1)[C@H](C)c1ccc(C)o1 ZINC000589174679 1036687009 /nfs/dbraw/zinc/68/70/09/1036687009.db2.gz MWIIJGMEXMTPNP-CQSZACIVSA-N -1 1 326.396 4.169 20 30 EIEDMM COc1ccccc1-c1cccc(NC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000589180577 1036700161 /nfs/dbraw/zinc/70/01/61/1036700161.db2.gz QZSVWYCVNYQYEO-UHFFFAOYSA-N -1 1 344.370 4.192 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(OC3CCCCC3)cc2)c1 ZINC000589181000 1036702269 /nfs/dbraw/zinc/70/22/69/1036702269.db2.gz NTTBUARWEQKVTF-UHFFFAOYSA-N -1 1 336.391 4.228 20 30 EIEDMM CC(C)(C)[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(F)cc1F ZINC000589190709 1036703276 /nfs/dbraw/zinc/70/32/76/1036703276.db2.gz JXNSRMOCVLOVPT-QGZVFWFLSA-N -1 1 344.361 4.059 20 30 EIEDMM Cc1c(COC(C)(C)C)cccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589188954 1036705944 /nfs/dbraw/zinc/70/59/44/1036705944.db2.gz VEAOJPWSFCZLOU-UHFFFAOYSA-N -1 1 338.407 4.140 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)c1 ZINC000589207567 1036711863 /nfs/dbraw/zinc/71/18/63/1036711863.db2.gz BZRRNQBYBATHAM-NJDAHSKKSA-N -1 1 346.430 4.062 20 30 EIEDMM COc1cc(C)ccc1C(=O)/C=C/c1ccc([O-])c(Br)c1 ZINC000028624042 1037786034 /nfs/dbraw/zinc/78/60/34/1037786034.db2.gz VJXHHEWUAOEVFE-QPJJXVBHSA-N -1 1 347.208 4.368 20 30 EIEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc([C@H]3CCOC3)c2)n1 ZINC000551661162 1040484957 /nfs/dbraw/zinc/48/49/57/1040484957.db2.gz IVTUSCMVAXMXSE-JKSUJKDBSA-N -1 1 340.448 4.260 20 30 EIEDMM N#CCC[C@@H](NC(=O)c1ccc2ccccc2c1[O-])c1ccccc1 ZINC000436605714 1041368975 /nfs/dbraw/zinc/36/89/75/1041368975.db2.gz LJXATCKGOUSXCN-LJQANCHMSA-N -1 1 330.387 4.320 20 30 EIEDMM CCCCOc1ccc(/C=C\C(=O)c2ccc([O-])cc2)cc1OC ZINC000111681856 1042907278 /nfs/dbraw/zinc/90/72/78/1042907278.db2.gz ZRKXNFCUUQZAQX-WZUFQYTHSA-N -1 1 326.392 4.476 20 30 EIEDMM CC(=NNc1ccc(F)cc1Br)c1ccc(F)cc1[O-] ZINC000727778058 1043285229 /nfs/dbraw/zinc/28/52/29/1043285229.db2.gz XMBFYCHOLAKLBI-UHFFFAOYSA-N -1 1 341.155 4.269 20 30 EIEDMM N#Cc1cc(Nc2cc(F)cc(F)c2[O-])ccc1N1CCCCC1 ZINC001212487231 1043524859 /nfs/dbraw/zinc/52/48/59/1043524859.db2.gz BVDSFBQOMHFOCZ-UHFFFAOYSA-N -1 1 329.350 4.276 20 30 EIEDMM N#Cc1ccc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1Cl ZINC000682463908 1043820273 /nfs/dbraw/zinc/82/02/73/1043820273.db2.gz HVOQQDWXQUSALM-UHFFFAOYSA-N -1 1 340.810 4.017 20 30 EIEDMM Cc1cccc(CN(Cc2ccco2)C(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000442864052 1043867739 /nfs/dbraw/zinc/86/77/39/1043867739.db2.gz FKKMVAWHXSFCIW-UHFFFAOYSA-N -1 1 346.386 4.008 20 30 EIEDMM CCN(Cc1ccc2ccccc2c1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442867685 1043870275 /nfs/dbraw/zinc/87/02/75/1043870275.db2.gz OXZOKBXUVLZGIA-UHFFFAOYSA-N -1 1 330.387 4.079 20 30 EIEDMM C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442857062 1043875804 /nfs/dbraw/zinc/87/58/04/1043875804.db2.gz SCISZTHOYZUMOD-LLVKDONJSA-N -1 1 348.324 4.116 20 30 EIEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cc(Cl)ccc1Cl ZINC000442857064 1043876479 /nfs/dbraw/zinc/87/64/79/1043876479.db2.gz SCKVDQXVFASNJY-SECBINFHSA-N -1 1 335.190 4.062 20 30 EIEDMM C[C@H]1Cc2c(C#N)c([N-]C(=O)c3cc(C4CC4)no3)sc2[C@H](C)C1 ZINC000521979900 1044133578 /nfs/dbraw/zinc/13/35/78/1044133578.db2.gz XGTJXUGAQYTSTA-NXEZZACHSA-N -1 1 341.436 4.423 20 30 EIEDMM N#Cc1cc(Br)c(F)cc1Nc1cccc([O-])c1F ZINC001212553487 1044292781 /nfs/dbraw/zinc/29/27/81/1044292781.db2.gz VNOHNNUWMFALEH-UHFFFAOYSA-N -1 1 325.112 4.048 20 30 EIEDMM O=C(/C=C\c1cc(Cl)c2c(c1)OCCCO2)c1ccc([O-])cc1 ZINC000213461960 1045119155 /nfs/dbraw/zinc/11/91/55/1045119155.db2.gz LGASZJGPRRXPBT-UQCOIBPSSA-N -1 1 330.767 4.103 20 30 EIEDMM O=C(/C=C\c1ccc([O-])c(F)c1)c1ccc(Br)cc1F ZINC000755599902 1045725697 /nfs/dbraw/zinc/72/56/97/1045725697.db2.gz UQYAHASDOJKWBJ-KTAJNNJTSA-N -1 1 339.135 4.329 20 30 EIEDMM N#CC(=C([O-])c1coc2ccccc21)c1ccc(C(F)(F)F)cn1 ZINC000073087541 1045802545 /nfs/dbraw/zinc/80/25/45/1045802545.db2.gz SEOMOWWNYPRTBN-GFCCVEGCSA-N -1 1 330.265 4.337 20 30 EIEDMM CC(=NNc1cncc(Br)c1)c1ccc([O-])c(Cl)c1 ZINC000768783329 1045841380 /nfs/dbraw/zinc/84/13/80/1045841380.db2.gz BUHXWVUAZAAQON-UHFFFAOYSA-N -1 1 340.608 4.039 20 30 EIEDMM CC(N=Nc1ccc(Cl)cc1Cl)c1ccc(CC(=O)[O-])cc1 ZINC000915953638 1045840608 /nfs/dbraw/zinc/84/06/08/1045840608.db2.gz QFZFWDWJIIRDJV-UHFFFAOYSA-N -1 1 337.206 4.457 20 30 EIEDMM Cc1nc(SCc2cc(Cl)cc(C#N)c2)[n-]c(=O)c1C1CC1 ZINC000918463846 1047451506 /nfs/dbraw/zinc/45/15/06/1047451506.db2.gz UWOUORNZRGSMHW-UHFFFAOYSA-N -1 1 331.828 4.185 20 30 EIEDMM C[C@@H]1CCc2sc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)cc2C1 ZINC000046706368 1047809928 /nfs/dbraw/zinc/80/99/28/1047809928.db2.gz DSNKHZCITPWECE-DGCLKSJQSA-N -1 1 335.432 4.239 20 30 EIEDMM Cc1cc(-c2ccccc2)ccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000809601943 1048436727 /nfs/dbraw/zinc/43/67/27/1048436727.db2.gz NVSHLFPKEQPSLI-UHFFFAOYSA-N -1 1 328.371 4.492 20 30 EIEDMM O=[N+]([O-])c1cc(Cl)ccc1N=NCc1ccc([O-])c(Cl)c1 ZINC000921258562 1048895765 /nfs/dbraw/zinc/89/57/65/1048895765.db2.gz XARXAIJWQJEOMP-UHFFFAOYSA-N -1 1 326.139 4.053 20 30 EIEDMM Cc1ccc2c(c1)C/C(=C\c1ccc([O-])c(Br)c1)C2=O ZINC000921263409 1048896789 /nfs/dbraw/zinc/89/67/89/1048896789.db2.gz CZMUIHTYFMVDQS-NTUHNPAUSA-N -1 1 329.193 4.286 20 30 EIEDMM COc1ccc2cc(C(C)=NNc3ccccc3C(=O)[O-])ccc2c1 ZINC000812442126 1049469155 /nfs/dbraw/zinc/46/91/55/1049469155.db2.gz QPGKVBDJIPVCPQ-UHFFFAOYSA-N -1 1 334.375 4.383 20 30 EIEDMM N#CC(=C([O-])C=Cc1cccc(F)c1)c1cc(C(F)(F)F)ccn1 ZINC000813215887 1049709961 /nfs/dbraw/zinc/70/99/61/1049709961.db2.gz CLLAZZRPWDNUND-ISZGNANSSA-N -1 1 334.272 4.129 20 30 EIEDMM C[C@@H](C#N)c1ccc(NC(=O)c2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC001188587309 1050809290 /nfs/dbraw/zinc/80/92/90/1050809290.db2.gz RZUJDHDULBWKKM-JTQLQIEISA-N -1 1 334.297 4.290 20 30 EIEDMM N#Cc1cccc([O-])c1NC(=O)NC1c2ccccc2-c2ccccc21 ZINC001190043024 1051107390 /nfs/dbraw/zinc/10/73/90/1051107390.db2.gz UXFDVAMRRXAXIM-UHFFFAOYSA-N -1 1 341.370 4.155 20 30 EIEDMM N#Cc1ccc(Br)c(Nc2c(F)cc([O-])cc2F)c1 ZINC001175102432 1051350324 /nfs/dbraw/zinc/35/03/24/1051350324.db2.gz KRFBINNQLIBXII-UHFFFAOYSA-N -1 1 325.112 4.048 20 30 EIEDMM CC(C)(C)c1ccc(C(=O)Nc2ccc(F)c(C#N)c2F)c([O-])c1 ZINC001192322746 1051688810 /nfs/dbraw/zinc/68/88/10/1051688810.db2.gz MADKDWYSFSEVDJ-UHFFFAOYSA-N -1 1 330.334 4.092 20 30 EIEDMM CCCCOc1ccc(C(=O)Nc2cc(C#N)c(F)cc2C)c([O-])c1 ZINC001184217396 1051968142 /nfs/dbraw/zinc/96/81/42/1051968142.db2.gz NIMVIMDWMZQHDX-UHFFFAOYSA-N -1 1 342.370 4.143 20 30 EIEDMM O=C(c1ncc(Cl)s1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001184236576 1051976568 /nfs/dbraw/zinc/97/65/68/1051976568.db2.gz ZGMDJYOMIOZTRA-UHFFFAOYSA-N -1 1 337.615 4.135 20 30 EIEDMM CC(C)c1cc(C(=O)[N-]c2sc3c(c2C#N)CCCCC3)on1 ZINC000072644710 1052538388 /nfs/dbraw/zinc/53/83/88/1052538388.db2.gz RAYVMNKZSOPJHA-UHFFFAOYSA-N -1 1 329.425 4.252 20 30 EIEDMM Cc1c(=O)[n-]c(S[C@@H](C#N)C2CCCCC2)nc1-c1ccccc1 ZINC000185054840 1053012226 /nfs/dbraw/zinc/01/22/26/1053012226.db2.gz WFLWHUUBTQJBNY-INIZCTEOSA-N -1 1 339.464 4.310 20 30 EIEDMM Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)c1ccc([O-])cc1 ZINC000007904122 1053484428 /nfs/dbraw/zinc/48/44/28/1053484428.db2.gz PHXNMYJHBGHUMR-VAWYXSNFSA-N -1 1 336.366 4.230 20 30 EIEDMM C[C@@H](Nc1cccc(C(=O)N2CCCCC2)c1)c1cccc(C#N)c1[O-] ZINC000866331464 1053694169 /nfs/dbraw/zinc/69/41/69/1053694169.db2.gz MDWJPVLPMKEWOA-OAHLLOKOSA-N -1 1 349.434 4.063 20 30 EIEDMM N#Cc1ccc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC001251109624 1053834144 /nfs/dbraw/zinc/83/41/44/1053834144.db2.gz OHGVOMOJBNOOJH-UHFFFAOYSA-N -1 1 334.400 4.026 20 30 EIEDMM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000091053058 1055509373 /nfs/dbraw/zinc/50/93/73/1055509373.db2.gz KDSUTZWVIXEXGF-UHFFFAOYSA-N -1 1 328.437 4.099 20 30 EIEDMM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000091053095 1055509953 /nfs/dbraw/zinc/50/99/53/1055509953.db2.gz OTKSXMXPSPIEJY-UHFFFAOYSA-N -1 1 348.855 4.444 20 30 EIEDMM [O-]/N=C/c1cc(N[C@@H]2CCCc3cccnc32)cc(C(F)(F)F)c1 ZINC001168662638 1056448898 /nfs/dbraw/zinc/44/88/98/1056448898.db2.gz YLVKXKDVFCDEEI-WPZNHYQYSA-N -1 1 335.329 4.398 20 30 EIEDMM CC(N=Nc1ccc(C(=O)[O-])cc1)c1cccc(-c2ccncc2)c1 ZINC000741450704 1058235513 /nfs/dbraw/zinc/23/55/13/1058235513.db2.gz ZUICYEJOMAJHBD-UHFFFAOYSA-N -1 1 331.375 4.283 20 30 EIEDMM CC(C)CCN(CCC#N)Cn1c(CCC2CCCC2)n[n-]c1=S ZINC000103460022 1061018706 /nfs/dbraw/zinc/01/87/06/1061018706.db2.gz HKZURKPNTLBEGZ-UHFFFAOYSA-N -1 1 349.548 4.283 20 30 EIEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)C(c1ccccc1)c1ccccc1 ZINC000078379927 217045117 /nfs/dbraw/zinc/04/51/17/217045117.db2.gz NKNYPTLKGYBMKG-UHFFFAOYSA-N -1 1 346.312 4.244 20 30 EIEDMM O=C([N-][C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@H]1CC1(F)F ZINC000450419729 1032490564 /nfs/dbraw/zinc/49/05/64/1032490564.db2.gz ISTFIMTVOBMQDZ-BDAKNGLRSA-N -1 1 347.205 4.080 20 30 EIEDMM O=C1c2ccc([O-])cc2CC/C1=C/c1ccc(Oc2cnccn2)cc1 ZINC000255313810 1023301530 /nfs/dbraw/zinc/30/15/30/1023301530.db2.gz NPZVZCFIOJREJA-WJDWOHSUSA-N -1 1 344.370 4.187 20 30 EIEDMM CCCc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)sc1C ZINC000123453429 1023629414 /nfs/dbraw/zinc/62/94/14/1023629414.db2.gz HARXGACEWBSVSH-AWEZNQCLSA-N -1 1 337.448 4.386 20 30 EIEDMM Cc1csc(C(C#N)=C([O-])c2c(C)[nH]c3ccc(Cl)cc32)n1 ZINC000151995144 1024856890 /nfs/dbraw/zinc/85/68/90/1024856890.db2.gz ZFPALZLWZCXFAY-GFCCVEGCSA-N -1 1 329.812 4.385 20 30 EIEDMM Cc1csc([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)c1C#N ZINC000582325781 1026448024 /nfs/dbraw/zinc/44/80/24/1026448024.db2.gz WYGHAQNUAOMREY-UHFFFAOYSA-N -1 1 343.795 4.489 20 30 EIEDMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C(C)(C)C#N)cc1 ZINC000511141574 1026727683 /nfs/dbraw/zinc/72/76/83/1026727683.db2.gz CBSBOUBVGWPYOA-UHFFFAOYSA-N -1 1 348.855 4.250 20 30 EIEDMM N#Cc1cc(Cl)ccc1CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000479228098 1026786678 /nfs/dbraw/zinc/78/66/78/1026786678.db2.gz QYLQOTZISYGQQX-UHFFFAOYSA-N -1 1 345.733 4.018 20 30 EIEDMM Cc1cc(C)c(C(=O)/C=C\c2ncc(C(F)(F)F)s2)c([O-])c1 ZINC000799896863 1027665933 /nfs/dbraw/zinc/66/59/33/1027665933.db2.gz ZTHGQILBGUMNMF-ARJAWSKDSA-N -1 1 327.327 4.380 20 30 EIEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccnn2C2CCCC2)n1 ZINC000330102229 1028203011 /nfs/dbraw/zinc/20/30/11/1028203011.db2.gz FZPJWKASGAHQHF-CYBMUJFWSA-N -1 1 328.441 4.068 20 30 EIEDMM N#Cc1cc(-c2ccccc2)sc1[N-]C(=O)c1cc(C2CC2)no1 ZINC000440689715 1028391094 /nfs/dbraw/zinc/39/10/94/1028391094.db2.gz GITYVKKUUNCANC-UHFFFAOYSA-N -1 1 335.388 4.404 20 30 EIEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000524300798 1028855749 /nfs/dbraw/zinc/85/57/49/1028855749.db2.gz KYBKPCVNJUJNOT-UHFFFAOYSA-N -1 1 331.437 4.059 20 30 EIEDMM COc1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)ccc1C ZINC000114621461 1029259769 /nfs/dbraw/zinc/25/97/69/1029259769.db2.gz MYGZAHAPDWYTSY-HNNXBMFYSA-N -1 1 349.415 4.012 20 30 EIEDMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(CC#N)c2)cc1 ZINC000451105436 1030249620 /nfs/dbraw/zinc/24/96/20/1030249620.db2.gz CGQHERULOPXADG-AWEZNQCLSA-N -1 1 328.437 4.067 20 30 EIEDMM N#Cc1ccc(Nc2cccc(C(=O)Nc3c([O-])cccc3F)c2)cc1 ZINC000610339807 1030494722 /nfs/dbraw/zinc/49/47/22/1030494722.db2.gz RZQVIEMJEIXOFS-UHFFFAOYSA-N -1 1 347.349 4.399 20 30 EIEDMM N#CC(=C([O-])c1cccc(OC(F)F)c1)c1nc(C2CC2)cs1 ZINC000647374488 1030880326 /nfs/dbraw/zinc/88/03/26/1030880326.db2.gz DWLMYDHBLAFSMK-GFCCVEGCSA-N -1 1 334.347 4.112 20 30 EIEDMM N#CC(=C([O-])c1ccc2ccccc2n1)c1ccc(C(F)(F)F)cn1 ZINC000041555634 1031498521 /nfs/dbraw/zinc/49/85/21/1031498521.db2.gz RJDCYOHOFAZMMV-ZDUSSCGKSA-N -1 1 341.292 4.139 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)N[C@H](Cc2ccccc2)c2cccs2)c1 ZINC000614298000 1033964825 /nfs/dbraw/zinc/96/48/25/1033964825.db2.gz WQEODLKXEZNKNC-GOSISDBHSA-N -1 1 348.427 4.039 20 30 EIEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccn(C)c2C2CCC2)n1 ZINC000345554137 1035249748 /nfs/dbraw/zinc/24/97/48/1035249748.db2.gz BIPLMEJFVOIVLM-CQSZACIVSA-N -1 1 327.453 4.363 20 30 EIEDMM C=CCSc1ccccc1C(=O)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000486464617 1036714924 /nfs/dbraw/zinc/71/49/24/1036714924.db2.gz FFFDTXMAFOOPAK-UHFFFAOYSA-N -1 1 341.461 4.091 20 30 EIEDMM CCOc1ccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cc1 ZINC000592974107 1037884354 /nfs/dbraw/zinc/88/43/54/1037884354.db2.gz NWCHIMWFQGSVQU-CQSZACIVSA-N -1 1 340.379 4.324 20 30 EIEDMM Cc1cc(C(C#N)=C([O-])c2cc3c(s2)CCCCCC3)nc(C)n1 ZINC000041574861 1039571964 /nfs/dbraw/zinc/57/19/64/1039571964.db2.gz QSGAZTATULOPDG-OAHLLOKOSA-N -1 1 339.464 4.304 20 30 EIEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)CCCC3=O)n1 ZINC000551826157 1040626611 /nfs/dbraw/zinc/62/66/11/1040626611.db2.gz FFDDJGJLXVOVOP-OAHLLOKOSA-N -1 1 338.432 4.276 20 30 EIEDMM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000515620206 1040905618 /nfs/dbraw/zinc/90/56/18/1040905618.db2.gz OBUILSFQCXDNCV-UHFFFAOYSA-N -1 1 334.828 4.136 20 30 EIEDMM Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C)cc1Cl ZINC000483991975 1041091145 /nfs/dbraw/zinc/09/11/45/1041091145.db2.gz HALCWWUAZUGZIR-AWEZNQCLSA-N -1 1 335.794 4.390 20 30 EIEDMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1 ZINC000029972214 1042458419 /nfs/dbraw/zinc/45/84/19/1042458419.db2.gz UVINMWWSMHNXFI-CQSZACIVSA-N -1 1 328.437 4.067 20 30 EIEDMM Cn1cccc1C([O-])=C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000073977456 1043094580 /nfs/dbraw/zinc/09/45/80/1043094580.db2.gz BFENUKURVPTWGQ-JTQLQIEISA-N -1 1 349.337 4.144 20 30 EIEDMM CC(=NNc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(F)cc1[O-] ZINC000727778714 1043286483 /nfs/dbraw/zinc/28/64/83/1043286483.db2.gz PENRKEXXGWAGEV-UHFFFAOYSA-N -1 1 337.276 4.258 20 30 EIEDMM N#CC(=C([O-])c1cc[nH]c1C1CC1)c1nc2cc(F)ccc2s1 ZINC000672583960 1043297207 /nfs/dbraw/zinc/29/72/07/1043297207.db2.gz TVHKRRFTGXYUPK-LBPRGKRZSA-N -1 1 325.368 4.131 20 30 EIEDMM Cc1cc(F)ccc1C(=O)/C=C/c1ccc([O-])c(Br)c1 ZINC000731319249 1043737515 /nfs/dbraw/zinc/73/75/15/1043737515.db2.gz MWRHRJKIOOUODC-QHHAFSJGSA-N -1 1 335.172 4.498 20 30 EIEDMM N#Cc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1[O-] ZINC000442839273 1043862252 /nfs/dbraw/zinc/86/22/52/1043862252.db2.gz SBXMYZVKVJAQEW-UHFFFAOYSA-N -1 1 342.398 4.106 20 30 EIEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccc(-c2ccco2)s1 ZINC000675906184 1044575584 /nfs/dbraw/zinc/57/55/84/1044575584.db2.gz OBAPECSKOQKKPI-LBPRGKRZSA-N -1 1 347.399 4.385 20 30 EIEDMM Cn1nc(-c2ccccc2)c(/C=C\C(=O)c2ccc([O-])cc2)c1Cl ZINC000734753339 1044664252 /nfs/dbraw/zinc/66/42/52/1044664252.db2.gz SLDXFHYGGVFTSZ-QXMHVHEDSA-N -1 1 338.794 4.342 20 30 EIEDMM CC(F)(F)CC(=O)[N-][C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000429082634 1045130436 /nfs/dbraw/zinc/13/04/36/1045130436.db2.gz JEBZAOUANCEMMA-JTQLQIEISA-N -1 1 349.221 4.470 20 30 EIEDMM Cc1cc(C(=O)Nc2ccc(F)cc2[O-])c(C)n1-c1ccc(C#N)cc1 ZINC000768259817 1045770294 /nfs/dbraw/zinc/77/02/94/1045770294.db2.gz UYZCAIDYNQKBND-UHFFFAOYSA-N -1 1 349.365 4.063 20 30 EIEDMM Cc1ccsc1C=Nn1c(=S)[n-]nc1SCc1ccccc1 ZINC000916368783 1046005620 /nfs/dbraw/zinc/00/56/20/1046005620.db2.gz NIGIPESNKKLFJQ-UHFFFAOYSA-N -1 1 346.506 4.111 20 30 EIEDMM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1c([O-])cccc1Cl ZINC000804559457 1046603252 /nfs/dbraw/zinc/60/32/52/1046603252.db2.gz ZOGSVJOBBNERTK-UHFFFAOYSA-N -1 1 347.846 4.042 20 30 EIEDMM CCCCCCCC[C@H](C)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001129759063 1046703364 /nfs/dbraw/zinc/70/33/64/1046703364.db2.gz JWNAWCUQGUZOAX-AWEZNQCLSA-N -1 1 333.476 4.386 20 30 EIEDMM COc1ccc([O-])c(C(=O)/C=C/c2cnc(-c3ccco3)s2)c1 ZINC000789145221 1047378861 /nfs/dbraw/zinc/37/88/61/1047378861.db2.gz ZVRUXFXPHLRJRW-FNORWQNLSA-N -1 1 327.361 4.013 20 30 EIEDMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)c1 ZINC000460412174 1047779317 /nfs/dbraw/zinc/77/93/17/1047779317.db2.gz NJUCGHUJJWTSLH-UHFFFAOYSA-N -1 1 342.464 4.412 20 30 EIEDMM C[C@H]1CCc2sc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)cc2C1 ZINC000046706370 1047810225 /nfs/dbraw/zinc/81/02/25/1047810225.db2.gz DSNKHZCITPWECE-WCQYABFASA-N -1 1 335.432 4.239 20 30 EIEDMM N#Cc1cccc2c1CC[C@H]2Nc1cc(/C=N/[O-])cc(C(F)(F)F)c1 ZINC001171063914 1047917829 /nfs/dbraw/zinc/91/78/29/1047917829.db2.gz TXPHSGJPUVAHOM-OLGPUJBVSA-N -1 1 345.324 4.485 20 30 EIEDMM N#CC(=C([O-])c1cc(F)c2ccccc2c1)c1cnc2ccccc2n1 ZINC000498978639 1048035625 /nfs/dbraw/zinc/03/56/25/1048035625.db2.gz LAJAGUNPGJEHFB-MRXNPFEDSA-N -1 1 341.345 4.412 20 30 EIEDMM N#Cc1ccc(NN=Cc2cccc([O-])c2Cl)cc1C(F)(F)F ZINC000814828687 1048186503 /nfs/dbraw/zinc/18/65/03/1048186503.db2.gz OFLXVOWFYUPRGJ-UHFFFAOYSA-N -1 1 339.704 4.382 20 30 EIEDMM O=C([O-])c1cccc(CN=Nc2nccc3sccc32)c1Cl ZINC000814809383 1048191687 /nfs/dbraw/zinc/19/16/87/1048191687.db2.gz ZTSBIMKKQJBXFP-UHFFFAOYSA-N -1 1 331.784 4.094 20 30 EIEDMM CC(C)(C)Sc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000809648109 1048452017 /nfs/dbraw/zinc/45/20/17/1048452017.db2.gz JHKDGFAZDAOGIH-UHFFFAOYSA-N -1 1 326.421 4.407 20 30 EIEDMM CCOc1ccc(/C=C2/Oc3cc([O-])cc(C)c3C2=O)cc1OCC ZINC000920991260 1048823184 /nfs/dbraw/zinc/82/31/84/1048823184.db2.gz FDSHVDLTYDCRIF-VCHYOVAHSA-N -1 1 340.375 4.114 20 30 EIEDMM Cc1sc2ncnc(N=NCc3ccc([O-])c(Cl)c3)c2c1C ZINC000921255045 1048886379 /nfs/dbraw/zinc/88/63/79/1048886379.db2.gz ILLFTTFQXDVJEO-UHFFFAOYSA-N -1 1 332.816 4.113 20 30 EIEDMM C[C@H](C#N)c1cccc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])c1 ZINC001148624299 1049347911 /nfs/dbraw/zinc/34/79/11/1049347911.db2.gz NWZHZOSWTSWAQK-SNVBAGLBSA-N -1 1 334.297 4.290 20 30 EIEDMM N#Cc1ccc(NC(=O)Cn2c3ccccc3c3ccccc32)c([O-])c1 ZINC001180079503 1050877526 /nfs/dbraw/zinc/87/75/26/1050877526.db2.gz UNJDHCLCHUIQNX-UHFFFAOYSA-N -1 1 341.370 4.010 20 30 EIEDMM N#Cc1cc(NC(=O)NC(c2ccccc2)c2ccccc2)ccc1[O-] ZINC001189539856 1051015395 /nfs/dbraw/zinc/01/53/95/1051015395.db2.gz VXLKNEWJVKPDSI-UHFFFAOYSA-N -1 1 343.386 4.175 20 30 EIEDMM CC(C)(C(=O)Nc1ccc(C#N)cc1[O-])c1ccccc1C(F)(F)F ZINC001180886025 1051092267 /nfs/dbraw/zinc/09/22/67/1051092267.db2.gz ALBUTEZQEGPXKA-UHFFFAOYSA-N -1 1 348.324 4.199 20 30 EIEDMM Cc1c(Cl)c(C#N)ccc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190506763 1051198692 /nfs/dbraw/zinc/19/86/92/1051198692.db2.gz LSNIUCWZYYSZBJ-UHFFFAOYSA-N -1 1 346.839 4.198 20 30 EIEDMM CC#CCCCCCCCC(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001182766764 1051703265 /nfs/dbraw/zinc/70/32/65/1051703265.db2.gz ABADVOHOFHZLQV-UHFFFAOYSA-N -1 1 339.439 4.270 20 30 EIEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2C)c2ccccc12 ZINC001193824593 1052005690 /nfs/dbraw/zinc/00/56/90/1052005690.db2.gz LJHQAIGKFMAQGW-UHFFFAOYSA-N -1 1 336.416 4.129 20 30 EIEDMM N#Cc1cccc([N-]S(=O)(=O)c2cccc3c(Cl)cccc32)c1 ZINC001194404927 1052141163 /nfs/dbraw/zinc/14/11/63/1052141163.db2.gz YAXSZWNBSZYIAF-UHFFFAOYSA-N -1 1 342.807 4.166 20 30 EIEDMM N#Cc1ccc(NC(=S)Nc2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC001196188916 1053598077 /nfs/dbraw/zinc/59/80/77/1053598077.db2.gz FNCKHAGGFYJYAG-UHFFFAOYSA-N -1 1 337.326 4.092 20 30 EIEDMM CC(C)N(CC1CC1)C(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196315278 1053629900 /nfs/dbraw/zinc/62/99/00/1053629900.db2.gz ATQSJAKTHQTLIP-UHFFFAOYSA-N -1 1 334.419 4.191 20 30 EIEDMM N#Cc1cccc([O-])c1NC(=S)Nc1ccccc1C(F)(F)F ZINC001197263206 1053864818 /nfs/dbraw/zinc/86/48/18/1053864818.db2.gz KMRGGJIRWDWSMF-UHFFFAOYSA-N -1 1 337.326 4.092 20 30 EIEDMM CC(=NNc1nc2ccccc2cc1C)c1cc(F)cc(F)c1[O-] ZINC000776786186 1053875021 /nfs/dbraw/zinc/87/50/21/1053875021.db2.gz QXWMQFRRLYQIRO-UHFFFAOYSA-N -1 1 327.334 4.363 20 30 EIEDMM Cc1c(C(=O)[O-])oc2c1C(=NN=c1[nH]c3ccccc3cc1C)CCC2 ZINC000776786202 1053875102 /nfs/dbraw/zinc/87/51/02/1053875102.db2.gz RPWYMNHVYREATK-UHFFFAOYSA-N -1 1 349.390 4.295 20 30 EIEDMM N#Cc1cccc([O-])c1NC(=S)Nc1cccc(C(F)(F)F)c1 ZINC001198060534 1054057600 /nfs/dbraw/zinc/05/76/00/1054057600.db2.gz XYLGIMOLQNUCDU-UHFFFAOYSA-N -1 1 337.326 4.092 20 30 EIEDMM [O-]/N=C/c1cc(N[C@H]2CCNc3ccccc32)cc(C(F)(F)F)c1 ZINC001168645669 1056012580 /nfs/dbraw/zinc/01/25/80/1056012580.db2.gz RKGIXELTTUDMKC-CPHRPENTSA-N -1 1 335.329 4.482 20 30 EIEDMM Cc1c(C(=O)/C=C\c2ccc([O-])c(F)c2)cnn1-c1ccc(F)cc1 ZINC000254993715 1019732875 /nfs/dbraw/zinc/73/28/75/1019732875.db2.gz LYLQQPFNNSANMR-WAPJZHGLSA-N -1 1 340.329 4.061 20 30 EIEDMM C=CC[C@@H]1CCCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC000656759322 1023499452 /nfs/dbraw/zinc/49/94/52/1023499452.db2.gz CDJFVPGMQMUNQP-CQSZACIVSA-N -1 1 342.464 4.296 20 30 EIEDMM COC(=O)c1c[n-]c(SCc2ccc(-c3ccccc3C#N)cc2)n1 ZINC000187598790 1023886745 /nfs/dbraw/zinc/88/67/45/1023886745.db2.gz VCKOMBMRGIPFKG-UHFFFAOYSA-N -1 1 349.415 4.027 20 30 EIEDMM C=C(C)CN(Cc1ccccc1)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000473377774 1033185303 /nfs/dbraw/zinc/18/53/03/1033185303.db2.gz CDACUBCQXKUYCJ-UHFFFAOYSA-N -1 1 345.826 4.273 20 30 EIEDMM N#Cc1ccc(SCc2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445445582 1028576519 /nfs/dbraw/zinc/57/65/19/1028576519.db2.gz AEHCIMLGZKRYNF-UHFFFAOYSA-N -1 1 343.795 4.260 20 30 EIEDMM CCOc1cc(-c2noc(C3(C#N)CCCCC3)n2)cc(Cl)c1[O-] ZINC000278221789 1028602329 /nfs/dbraw/zinc/60/23/29/1028602329.db2.gz ZWXYGHRNZCCMHW-UHFFFAOYSA-N -1 1 347.802 4.220 20 30 EIEDMM CCCC[C@@H](CC)CC=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000760249335 1030860330 /nfs/dbraw/zinc/86/03/30/1030860330.db2.gz PFPHSJKYDVDPCQ-CYBMUJFWSA-N -1 1 346.479 4.291 20 30 EIEDMM N#CC(=C([O-])c1ccc(Br)cc1)c1nc(C2CC2)cs1 ZINC000647371544 1030875365 /nfs/dbraw/zinc/87/53/65/1030875365.db2.gz SLRPAOYVSKLPHO-GFCCVEGCSA-N -1 1 347.237 4.273 20 30 EIEDMM O=C1c2ccc([O-])cc2CC/C1=C/c1ccccc1Br ZINC000207325369 1031387245 /nfs/dbraw/zinc/38/72/45/1031387245.db2.gz HNYNQFHAPYTDTM-LCYFTJDESA-N -1 1 329.193 4.367 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccc(Oc3ccccc3)c2)c1 ZINC000614293858 1033968427 /nfs/dbraw/zinc/96/84/27/1033968427.db2.gz COQFBRURXXTAKJ-UHFFFAOYSA-N -1 1 330.343 4.308 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)c1 ZINC000614300663 1033973453 /nfs/dbraw/zinc/97/34/53/1033973453.db2.gz QQWUPSIHCDLUKZ-FQEVSTJZSA-N -1 1 345.402 4.113 20 30 EIEDMM C=CCOc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2C)c1 ZINC000512847908 1034071251 /nfs/dbraw/zinc/07/12/51/1034071251.db2.gz XGLQLQXAPBQKEF-UHFFFAOYSA-N -1 1 337.828 4.014 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@H]2c2cccc3ccccc32)c1 ZINC000614365423 1034473992 /nfs/dbraw/zinc/47/39/92/1034473992.db2.gz CEXACLQNVAPNPC-OAQYLSRUSA-N -1 1 342.398 4.394 20 30 EIEDMM Cc1c(-c2ccccc2)nc(S[C@@H](C)c2ccc(C#N)cc2)[n-]c1=O ZINC000163938564 1035878799 /nfs/dbraw/zinc/87/87/99/1035878799.db2.gz CDBXBBMZLMKHGQ-AWEZNQCLSA-N -1 1 347.443 4.470 20 30 EIEDMM Cc1cc(N2CCCCCC2)ccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000587159446 1035885301 /nfs/dbraw/zinc/88/53/01/1035885301.db2.gz ACVJOAINGFRGKF-UHFFFAOYSA-N -1 1 349.434 4.205 20 30 EIEDMM C=CCc1cc(/C=C2\CCc3cc([O-])ccc3C2=O)cc(OC)c1O ZINC000060364426 1036045052 /nfs/dbraw/zinc/04/50/52/1036045052.db2.gz XLZSTDYRVSTSJC-MHWRWJLKSA-N -1 1 336.387 4.047 20 30 EIEDMM Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589190833 1036703523 /nfs/dbraw/zinc/70/35/23/1036703523.db2.gz ZRMKCNKOUKAUAQ-OAHLLOKOSA-N -1 1 349.434 4.203 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)c1 ZINC000589207569 1036711545 /nfs/dbraw/zinc/71/15/45/1036711545.db2.gz BZRRNQBYBATHAM-PWRODBHTSA-N -1 1 346.430 4.062 20 30 EIEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(CC)cc2)c1 ZINC000589439135 1036795351 /nfs/dbraw/zinc/79/53/51/1036795351.db2.gz RBQRQFRWTWXGPL-UHFFFAOYSA-N -1 1 331.437 4.005 20 30 EIEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(F)c2ccccc21 ZINC000589527556 1036822564 /nfs/dbraw/zinc/82/25/64/1036822564.db2.gz UPWYGISJGUHHAW-GFCCVEGCSA-N -1 1 334.350 4.047 20 30 EIEDMM CC(C)(C#N)c1ccccc1CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000477440285 1040496362 /nfs/dbraw/zinc/49/63/62/1040496362.db2.gz RYKLJFCAEZCYPX-UHFFFAOYSA-N -1 1 325.437 4.153 20 30 EIEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc2ccc(F)cc2s1 ZINC000613286942 1042689390 /nfs/dbraw/zinc/68/93/90/1042689390.db2.gz WDZPSWOUVNHTMF-CYBMUJFWSA-N -1 1 349.390 4.417 20 30 EIEDMM Cc1ccc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@H]2C)cc1[N+](=O)[O-] ZINC000730590742 1043565920 /nfs/dbraw/zinc/56/59/20/1043565920.db2.gz UNZMPEUFOPDGDG-BZPKPHBRSA-N -1 1 327.311 4.131 20 30 EIEDMM Cc1cc(F)ccc1C(=O)/C=C\c1ccc([O-])c(Br)c1 ZINC000731319240 1043738189 /nfs/dbraw/zinc/73/81/89/1043738189.db2.gz MWRHRJKIOOUODC-KXFIGUGUSA-N -1 1 335.172 4.498 20 30 EIEDMM CCc1cc(C#N)c([N-]C(=O)c2cc(-c3ccc(C)cc3)no2)s1 ZINC000079263730 1043877578 /nfs/dbraw/zinc/87/75/78/1043877578.db2.gz UKMWIQMJAMXMMS-UHFFFAOYSA-N -1 1 337.404 4.398 20 30 EIEDMM CC(C)[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1Cl ZINC000442982809 1043948336 /nfs/dbraw/zinc/94/83/36/1043948336.db2.gz YJWTZKWEAIDGBZ-QGZVFWFLSA-N -1 1 328.799 4.044 20 30 EIEDMM N#Cc1ccc(C(=O)N2CCCC[C@H]2CCCc2ccccc2)cc1[O-] ZINC000443076428 1044005803 /nfs/dbraw/zinc/00/58/03/1044005803.db2.gz SBQYNVCIDNZGGL-FQEVSTJZSA-N -1 1 348.446 4.281 20 30 EIEDMM N#CCc1ccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000079816143 1044016002 /nfs/dbraw/zinc/01/60/02/1044016002.db2.gz HTEFKKJNSCBJNT-UHFFFAOYSA-N -1 1 348.427 4.220 20 30 EIEDMM O=C1c2ccc(F)cc2C/C1=C/c1ccc([O-])c(Br)c1 ZINC000734306251 1044530006 /nfs/dbraw/zinc/53/00/06/1044530006.db2.gz CKMFVGPMRWVOMW-WZUFQYTHSA-N -1 1 333.156 4.116 20 30 EIEDMM C=CCN(CC1CCCCC1)Cn1[n-]c(-c2ccccn2)nc1=S ZINC000735299098 1044787805 /nfs/dbraw/zinc/78/78/05/1044787805.db2.gz ZSJYCNHNFXLCOU-UHFFFAOYSA-N -1 1 343.500 4.028 20 30 EIEDMM Cc1noc(C(F)F)c1C(=O)[N-]c1cc(C(C)(C)C)sc1C#N ZINC000611359722 1045291145 /nfs/dbraw/zinc/29/11/45/1045291145.db2.gz SKIIXHBUPZTZJJ-UHFFFAOYSA-N -1 1 339.367 4.404 20 30 EIEDMM Cc1ccc(F)c(C(=O)/C=C\c2ccc([O-])c(Br)c2)c1 ZINC000763292218 1045811947 /nfs/dbraw/zinc/81/19/47/1045811947.db2.gz JLJCXCRIAGABJC-UTCJRWHESA-N -1 1 335.172 4.498 20 30 EIEDMM N#CC(=C([O-])C1=Cc2cc(F)ccc2OC1)c1nccc2ccccc21 ZINC000792100114 1045855972 /nfs/dbraw/zinc/85/59/72/1045855972.db2.gz KCEPAPAAZYFLML-GOSISDBHSA-N -1 1 344.345 4.026 20 30 EIEDMM N#CC(=C([O-])C1=Cc2cc(F)ccc2OC1)c1nccc2ccccc21 ZINC000792100115 1045856602 /nfs/dbraw/zinc/85/66/02/1045856602.db2.gz KCEPAPAAZYFLML-SFHVURJKSA-N -1 1 344.345 4.026 20 30 EIEDMM CCSc1cccc(F)c1[N-]C(=O)c1ccc(C#N)c(Cl)n1 ZINC001129500694 1046502121 /nfs/dbraw/zinc/50/21/21/1046502121.db2.gz OAOKQNWPSGCGHL-UHFFFAOYSA-N -1 1 335.791 4.110 20 30 EIEDMM C=CCCCCCCNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000804851305 1046825785 /nfs/dbraw/zinc/82/57/85/1046825785.db2.gz VYJOBEBOSDFBRW-UHFFFAOYSA-N -1 1 326.444 4.409 20 30 EIEDMM Cc1c2ccc(F)cc2sc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000805852562 1047037783 /nfs/dbraw/zinc/03/77/83/1047037783.db2.gz FGBZDFIZCVXYNW-AWEZNQCLSA-N -1 1 339.395 4.246 20 30 EIEDMM O=C([O-])c1cccc(C(=O)/C=C/c2cc(Cl)c(O)cc2Cl)c1 ZINC000806558370 1047303365 /nfs/dbraw/zinc/30/33/65/1047303365.db2.gz ATNWYCCOOUQTFP-SNAWJCMRSA-N -1 1 337.158 4.293 20 30 EIEDMM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1nc(Cl)cs1 ZINC000789937071 1047491486 /nfs/dbraw/zinc/49/14/86/1047491486.db2.gz CYTMCMYQGXPAJV-SECBINFHSA-N -1 1 337.857 4.443 20 30 EIEDMM [O-]c1cc(Cl)c(C=NNc2nccnc2C2CCC2)cc1Cl ZINC000807991040 1047567016 /nfs/dbraw/zinc/56/70/16/1047567016.db2.gz FOILQFUOHDOYAH-UHFFFAOYSA-N -1 1 337.210 4.203 20 30 EIEDMM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000108239074 1047795719 /nfs/dbraw/zinc/79/57/19/1047795719.db2.gz LXGYLABDRGEJFH-JTQLQIEISA-N -1 1 347.421 4.160 20 30 EIEDMM CC[C@@H](C)[C@@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccccc1 ZINC000072673440 1048044495 /nfs/dbraw/zinc/04/44/95/1048044495.db2.gz DGTRYJQPSTWQLQ-MWLCHTKSSA-N -1 1 326.322 4.241 20 30 EIEDMM CC(N=Nc1nnc(-c2ccccc2)s1)c1ccc([O-])c(Cl)c1 ZINC000814946321 1048265300 /nfs/dbraw/zinc/26/53/00/1048265300.db2.gz GQZSCYHRRHPWDS-UHFFFAOYSA-N -1 1 344.827 4.400 20 30 EIEDMM Cc1ccc(-c2n[nH]cc2C=C2Oc3cc([O-])cc(C)c3C2=O)cc1 ZINC000920069412 1048441974 /nfs/dbraw/zinc/44/19/74/1048441974.db2.gz ZDCXXBILVNSSLS-IUXPMGMMSA-N -1 1 332.359 4.015 20 30 EIEDMM CCOC(=O)Nc1ccc(NCc2cccc([O-])c2Cl)cc1C#N ZINC000816565593 1048836690 /nfs/dbraw/zinc/83/66/90/1048836690.db2.gz UXWJWYYOVSZLMW-UHFFFAOYSA-N -1 1 345.786 4.098 20 30 EIEDMM [O-]c1ccc(C=NNc2cccc(Br)c2)cc1Cl ZINC000921258890 1048895433 /nfs/dbraw/zinc/89/54/33/1048895433.db2.gz REDDNULCVCREFV-UHFFFAOYSA-N -1 1 325.593 4.254 20 30 EIEDMM O=C1c2cccc(F)c2C/C1=C\c1ccc([O-])c(Br)c1 ZINC000921266105 1048898033 /nfs/dbraw/zinc/89/80/33/1048898033.db2.gz IWUSPWPHGWVPAQ-UXBLZVDNSA-N -1 1 333.156 4.116 20 30 EIEDMM CCOC(=O)Cc1ccc(C(=O)/C=C/c2ccc([O-])c(Cl)c2)cc1 ZINC000921269289 1048901894 /nfs/dbraw/zinc/90/18/94/1048901894.db2.gz KRXGEMSARFYLQJ-WEVVVXLNSA-N -1 1 344.794 4.047 20 30 EIEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C/c2cccc(-c3ccccn3)c2)c1 ZINC000747693087 1049020540 /nfs/dbraw/zinc/02/05/40/1049020540.db2.gz MCYCMVRMYKKJHE-VQHVLOKHSA-N -1 1 345.354 4.049 20 30 EIEDMM N#Cc1ccc(Oc2cccc(C(=O)Nc3c([O-])cccc3F)c2)cc1 ZINC000609851238 1049356619 /nfs/dbraw/zinc/35/66/19/1049356619.db2.gz YEMKHZMKIMJLFF-UHFFFAOYSA-N -1 1 348.333 4.448 20 30 EIEDMM N#Cc1cc(NC(=O)c2cccc(-c3ccccc3)c2O)c([O-])cc1F ZINC001148869347 1049389865 /nfs/dbraw/zinc/38/98/65/1049389865.db2.gz JCMMOJAIAKFBBF-UHFFFAOYSA-N -1 1 348.333 4.028 20 30 EIEDMM CC1(C)CC(=O)C=C(NC(=O)c2cccc(-c3ccccc3)c2[O-])C1 ZINC001148872963 1049393830 /nfs/dbraw/zinc/39/38/30/1049393830.db2.gz NMQGKWZNSUPRLJ-UHFFFAOYSA-N -1 1 335.403 4.062 20 30 EIEDMM CC(=NNc1ccccc1C(=O)[O-])c1cc(C)ccc1OC(F)F ZINC000812445191 1049467430 /nfs/dbraw/zinc/46/74/30/1049467430.db2.gz UCMNOZKYXRUYIK-UHFFFAOYSA-N -1 1 334.322 4.131 20 30 EIEDMM C[Si](C)(C)C#Cc1cccc(NC(=O)c2ccc([O-])c(F)c2)c1 ZINC001186226928 1050263451 /nfs/dbraw/zinc/26/34/51/1050263451.db2.gz UXOXGPDWMRSQLU-UHFFFAOYSA-N -1 1 327.431 4.013 20 30 EIEDMM CCCCCCCC[C@@H](CCC)Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001173308813 1050402999 /nfs/dbraw/zinc/40/29/99/1050402999.db2.gz CNVVPRDFPBWDPY-GFCCVEGCSA-N -1 1 335.452 4.047 20 30 EIEDMM Cc1cc(NC(=O)c2cc([O-])cc(C#N)c2)ccc1Oc1ccncc1 ZINC000618885790 1050568250 /nfs/dbraw/zinc/56/82/50/1050568250.db2.gz GCXUNJOYMIRKSX-UHFFFAOYSA-N -1 1 345.358 4.012 20 30 EIEDMM N#Cc1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)c([O-])c1 ZINC001189539428 1051013973 /nfs/dbraw/zinc/01/39/73/1051013973.db2.gz HOZCGHLKPJSYDF-UHFFFAOYSA-N -1 1 343.386 4.175 20 30 EIEDMM N#Cc1cc(OC(F)(F)F)ccc1Nc1c(F)ccc([O-])c1F ZINC001175271648 1051510142 /nfs/dbraw/zinc/51/01/42/1051510142.db2.gz ZDWLEUPLDOPJSH-UHFFFAOYSA-N -1 1 330.212 4.184 20 30 EIEDMM C[C@H](Oc1ccc(Cl)cc1)C(=O)N([O-])Cc1ccccc1Cl ZINC001184283485 1051988119 /nfs/dbraw/zinc/98/81/19/1051988119.db2.gz MFJWEXVBXLSYAH-NSHDSACASA-N -1 1 340.206 4.179 20 30 EIEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)c1 ZINC001194164012 1052093492 /nfs/dbraw/zinc/09/34/92/1052093492.db2.gz VVTJSVJTEFQLJZ-UHFFFAOYSA-N -1 1 339.441 4.197 20 30 EIEDMM N#Cc1c([O-])csc1NC(=O)Nc1cc(C(F)(F)F)ccc1F ZINC001185589794 1052268094 /nfs/dbraw/zinc/26/80/94/1052268094.db2.gz FRCRSTJVBWQRFC-UHFFFAOYSA-N -1 1 345.277 4.127 20 30 EIEDMM Cc1c(=O)[n-]c(S[C@H](C#N)C2CCCCC2)nc1-c1ccccc1 ZINC000185054861 1053012275 /nfs/dbraw/zinc/01/22/75/1053012275.db2.gz WFLWHUUBTQJBNY-MRXNPFEDSA-N -1 1 339.464 4.310 20 30 EIEDMM O=C(/C=C\c1ccc([O-])c(F)c1)c1ccc(F)cc1OC(F)F ZINC000755600236 1053286265 /nfs/dbraw/zinc/28/62/65/1053286265.db2.gz HHZSYKYDXGSBJB-KTAJNNJTSA-N -1 1 326.245 4.168 20 30 EIEDMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)c1 ZINC001195107262 1053298151 /nfs/dbraw/zinc/29/81/51/1053298151.db2.gz FWUBQPIZDNPELU-UHFFFAOYSA-N -1 1 334.828 4.136 20 30 EIEDMM COc1ccc(/C=C/C(=O)c2ccc([O-])cc2)c(Br)c1 ZINC000794690777 1053313021 /nfs/dbraw/zinc/31/30/21/1053313021.db2.gz JRTQHUMYWASZMH-WEVVVXLNSA-N -1 1 333.181 4.059 20 30 EIEDMM Cn1cccc1-c1cc(C(=O)[N-]c2sc3ccccc3c2C#N)no1 ZINC001195988939 1053547921 /nfs/dbraw/zinc/54/79/21/1053547921.db2.gz HAJFGLIOYXPWJX-UHFFFAOYSA-N -1 1 348.387 4.019 20 30 EIEDMM C[C@@H](N[C@@H](C)c1cccc(C#N)c1[O-])c1nc(C(F)(F)F)cs1 ZINC000866348979 1053699587 /nfs/dbraw/zinc/69/95/87/1053699587.db2.gz FJVRUYZMKBIUFF-DTWKUNHWSA-N -1 1 341.358 4.151 20 30 EIEDMM N#Cc1cccc([O-])c1NC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC001201167852 1054683471 /nfs/dbraw/zinc/68/34/71/1054683471.db2.gz GTXWLQOFEOMMGI-UHFFFAOYSA-N -1 1 338.219 4.380 20 30 EIEDMM N#Cc1c2c(sc1[N-]C(=O)c1cc(-c3ccccc3)no1)CCCC2 ZINC000075487694 1056789239 /nfs/dbraw/zinc/78/92/39/1056789239.db2.gz HEZZDRXAACDVBG-UHFFFAOYSA-N -1 1 349.415 4.406 20 30 EIEDMM CCc1cnccc1C(=O)/C=C\c1ccc([O-])c(Br)c1 ZINC000766771580 1060882404 /nfs/dbraw/zinc/88/24/04/1060882404.db2.gz FKAVTEIXSGTYEF-HYXAFXHYSA-N -1 1 332.197 4.008 20 30 EIEDMM C[C@H]1c2c(C#N)c([N-]C(=O)c3c(F)ccnc3F)sc2CC[C@@H]1C ZINC000891180852 1021477276 /nfs/dbraw/zinc/47/72/76/1021477276.db2.gz KNGZZAUAFJZYGL-DTWKUNHWSA-N -1 1 347.390 4.231 20 30 EIEDMM Cc1nnc([N-]C(=O)c2cnc(-c3ccccc3Cl)s2)s1 ZINC000050288525 1022174858 /nfs/dbraw/zinc/17/48/58/1022174858.db2.gz BTKLUBPRKYCYQG-UHFFFAOYSA-N -1 1 336.829 4.260 20 30 EIEDMM CC(C)c1cccc(O[C@@H](C)C(=O)Nc2n[n-]c(C(F)(F)F)n2)c1 ZINC000051266513 1023800972 /nfs/dbraw/zinc/80/09/72/1023800972.db2.gz XLJMFGACKNNZGB-VIFPVBQESA-N -1 1 342.321 4.002 20 30 EIEDMM C=CC[C@H](NCc1ccc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)[O-] ZINC000277180802 1025264206 /nfs/dbraw/zinc/26/42/06/1025264206.db2.gz FFKWIWDZDJHQSP-KRWDZBQOSA-N -1 1 327.424 4.363 20 30 EIEDMM C=C[C@H](CC(=O)OC(C)(C)C)Oc1cc(Cl)c([O-])cc1Cl ZINC001227642079 1029513369 /nfs/dbraw/zinc/51/33/69/1029513369.db2.gz VKRGJHCQKKSGFP-SECBINFHSA-N -1 1 333.211 4.364 20 30 EIEDMM N#Cc1ccc(Oc2ccc(NC(=O)c3cccc([O-])c3F)cc2)cc1 ZINC001625958167 1030163597 /nfs/dbraw/zinc/16/35/97/1030163597.db2.gz YBTJZQUYAVKLJW-UHFFFAOYSA-N -1 1 348.333 4.448 20 30 EIEDMM O=C1c2ccc(Br)cc2C/C1=C\c1ccc([O-])c(F)c1 ZINC000760230876 1030506024 /nfs/dbraw/zinc/50/60/24/1030506024.db2.gz YNFYDUBELPWFSP-VZUCSPMQSA-N -1 1 333.156 4.116 20 30 EIEDMM Cc1ccc(N(CCC#N)C(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000179484165 1031082780 /nfs/dbraw/zinc/08/27/80/1031082780.db2.gz GQUPZTCCCMLTLB-UHFFFAOYSA-N -1 1 330.387 4.414 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 ZINC000614295325 1033968713 /nfs/dbraw/zinc/96/87/13/1033968713.db2.gz GAMGYIBTSQDGCN-UHFFFAOYSA-N -1 1 344.370 4.095 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(CNc3ccccc3)cc2)c1 ZINC000614300250 1033970595 /nfs/dbraw/zinc/97/05/95/1033970595.db2.gz BOFGVHXYLKWEMJ-UHFFFAOYSA-N -1 1 343.386 4.128 20 30 EIEDMM CCc1ccc([C@@H]2CCCCCN2C(=O)c2cc([O-])cc(C#N)c2)o1 ZINC000614370074 1034474703 /nfs/dbraw/zinc/47/47/03/1034474703.db2.gz PRKMOTCPSBRYAG-SFHVURJKSA-N -1 1 338.407 4.177 20 30 EIEDMM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000031934453 1035593785 /nfs/dbraw/zinc/59/37/85/1035593785.db2.gz RLHUCAWVYSLMSB-IBGZPJMESA-N -1 1 328.371 4.300 20 30 EIEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1cc(Cl)ccc1Cl ZINC000589167963 1036682857 /nfs/dbraw/zinc/68/28/57/1036682857.db2.gz KLYADWHRGXTBHZ-SECBINFHSA-N -1 1 335.190 4.062 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)N2CCCC[C@@H]2CCCc2ccccc2)c1 ZINC000589196025 1036705482 /nfs/dbraw/zinc/70/54/82/1036705482.db2.gz WQXDAELASZNQAJ-HXUWFJFHSA-N -1 1 348.446 4.281 20 30 EIEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)cc1 ZINC000603573373 1036888112 /nfs/dbraw/zinc/88/81/12/1036888112.db2.gz YZKNPVRAHXQQGO-UHFFFAOYSA-N -1 1 348.383 4.258 20 30 EIEDMM Cc1cc(-c2ccccc2)ccc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000603562072 1036890592 /nfs/dbraw/zinc/89/05/92/1036890592.db2.gz ZAVUFHDXHXOOMH-UHFFFAOYSA-N -1 1 348.427 4.335 20 30 EIEDMM CC(C)Sc1ccc([C@H](C)NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000442959068 1040452307 /nfs/dbraw/zinc/45/23/07/1040452307.db2.gz YAEKWEYQRWAIRW-ZDUSSCGKSA-N -1 1 340.448 4.255 20 30 EIEDMM N#Cc1ccc(C(=O)N2CCCCC[C@H]2/C=C\c2ccccc2)cc1[O-] ZINC000443299748 1041295328 /nfs/dbraw/zinc/29/53/28/1041295328.db2.gz XOUFVTWLLCCZRB-IMTHGLKYSA-N -1 1 346.430 4.362 20 30 EIEDMM C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2ccccc2c1[O-] ZINC000436541697 1041336866 /nfs/dbraw/zinc/33/68/66/1041336866.db2.gz ZDKXPEQKFUUMLG-UHFFFAOYSA-N -1 1 342.398 4.245 20 30 EIEDMM N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000436704213 1041435752 /nfs/dbraw/zinc/43/57/52/1041435752.db2.gz GIEYIVDNMWAMLD-UHFFFAOYSA-N -1 1 346.342 4.014 20 30 EIEDMM Cc1csc([N-]C(=O)c2c(F)cc(C(F)(F)F)cc2F)c1C#N ZINC000464578880 1042069478 /nfs/dbraw/zinc/06/94/78/1042069478.db2.gz XLGIFEBDGVKYAA-UHFFFAOYSA-N -1 1 346.280 4.478 20 30 EIEDMM Cc1ccc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@H]2C)cc1[N+](=O)[O-] ZINC000730590744 1043564878 /nfs/dbraw/zinc/56/48/78/1043564878.db2.gz UNZMPEUFOPDGDG-QVIVLVACSA-N -1 1 327.311 4.131 20 30 EIEDMM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1 ZINC000193356076 1044044976 /nfs/dbraw/zinc/04/49/76/1044044976.db2.gz BMDNTVGPKRFEOX-UHFFFAOYSA-N -1 1 342.464 4.142 20 30 EIEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000443421718 1044273360 /nfs/dbraw/zinc/27/33/60/1044273360.db2.gz DDOPLCRTPBNQBT-UHFFFAOYSA-N -1 1 344.461 4.216 20 30 EIEDMM CCN(C(=O)c1ccc(Cl)cc1[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000124612631 1044878201 /nfs/dbraw/zinc/87/82/01/1044878201.db2.gz HDHUCLRXZDIPIF-GFCCVEGCSA-N -1 1 328.799 4.141 20 30 EIEDMM C=CC[C@@H](C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccccc1 ZINC000429068071 1045106288 /nfs/dbraw/zinc/10/62/88/1045106288.db2.gz KNRIBKFWYIYUNU-QGZVFWFLSA-N -1 1 333.391 4.081 20 30 EIEDMM O=C(/C=C/c1cc(F)cc(C(F)(F)F)c1)c1cc(O)ccc1[O-] ZINC000772802488 1045932098 /nfs/dbraw/zinc/93/20/98/1045932098.db2.gz QHLFAQZTVODSES-HNQUOIGGSA-N -1 1 326.245 4.152 20 30 EIEDMM COc1ccc([O-])c(C(=O)/C=C/c2ncc(-c3ccccc3)s2)c1 ZINC000770573335 1046225971 /nfs/dbraw/zinc/22/59/71/1046225971.db2.gz XAVAEJYMIZDQOM-MDZDMXLPSA-N -1 1 337.400 4.420 20 30 EIEDMM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1ccc(Cl)o1 ZINC000916902900 1046428747 /nfs/dbraw/zinc/42/87/47/1046428747.db2.gz IQTMRYVDRNRJLZ-ZDUSSCGKSA-N -1 1 344.798 4.019 20 30 EIEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(OC(F)F)c2)n1 ZINC000080453793 1046618914 /nfs/dbraw/zinc/61/89/14/1046618914.db2.gz GQKNMASLSMXTCT-LBPRGKRZSA-N -1 1 336.363 4.358 20 30 EIEDMM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1csc(Cl)c1 ZINC000786447962 1046841913 /nfs/dbraw/zinc/84/19/13/1046841913.db2.gz PUWJRRIHBWIANU-VIFPVBQESA-N -1 1 339.203 4.016 20 30 EIEDMM O=C(/C=C\c1cnn(Cc2ccccc2)c1Cl)c1ccc([O-])cc1 ZINC000789127499 1047375275 /nfs/dbraw/zinc/37/52/75/1047375275.db2.gz MZAAAHSLKYEFPL-FLIBITNWSA-N -1 1 338.794 4.187 20 30 EIEDMM C[C@H]1CCc2sc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)cc2C1 ZINC000046706373 1047810021 /nfs/dbraw/zinc/81/00/21/1047810021.db2.gz DSNKHZCITPWECE-AAEUAGOBSA-N -1 1 335.432 4.239 20 30 EIEDMM [O-]c1cccc(C=NNc2ccccc2Br)c1Cl ZINC000814793323 1048171155 /nfs/dbraw/zinc/17/11/55/1048171155.db2.gz XXHHWSPNVURTSX-UHFFFAOYSA-N -1 1 325.593 4.254 20 30 EIEDMM CC(C)c1ccc([C@H](C)NN=C2CCCc3c(C#N)c(=O)[n-]cc32)cc1 ZINC000844576636 1048412171 /nfs/dbraw/zinc/41/21/71/1048412171.db2.gz FAOCFJVSRVZNGF-AWEZNQCLSA-N -1 1 348.450 4.173 20 30 EIEDMM CCCCCCCCCS(=O)(=O)[N-]c1c(C)[nH]nc1C(F)F ZINC000844824447 1048526675 /nfs/dbraw/zinc/52/66/75/1048526675.db2.gz ALXOUNNUAKLEPY-UHFFFAOYSA-N -1 1 337.436 4.148 20 30 EIEDMM COc1cc(C)cc2c1OC/C(=C/c1ccc([O-])c(Cl)c1)C2=O ZINC000921269035 1048901787 /nfs/dbraw/zinc/90/17/87/1048901787.db2.gz HMUVQZQCQJZEGT-GHXNOFRVSA-N -1 1 330.767 4.021 20 30 EIEDMM COc1ccc([O-])c(C(=O)/C=C/c2ccc(C#N)cc2C(F)(F)F)c1 ZINC000811694071 1049233628 /nfs/dbraw/zinc/23/36/28/1049233628.db2.gz SRPYAUCWVRUGRE-GQCTYLIASA-N -1 1 347.292 4.187 20 30 EIEDMM C#Cc1ccccc1CC(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001148252018 1049289526 /nfs/dbraw/zinc/28/95/26/1049289526.db2.gz GFVPKHCDFGOPFB-UHFFFAOYSA-N -1 1 335.790 4.361 20 30 EIEDMM CC(N=Nc1c(Cl)cc(F)cc1Cl)c1ccc(C(=O)[O-])o1 ZINC000773080672 1049570465 /nfs/dbraw/zinc/57/04/65/1049570465.db2.gz XIEDRGOOVOCJON-UHFFFAOYSA-N -1 1 331.130 4.260 20 30 EIEDMM CCc1cccc(S(=O)(=O)[N-]c2ccccc2SCCC#N)c1 ZINC000080940066 1049611553 /nfs/dbraw/zinc/61/15/53/1049611553.db2.gz AAHJMCLARKEMOB-UHFFFAOYSA-N -1 1 346.477 4.056 20 30 EIEDMM N#CC(=C([O-])C=Cc1ccccc1F)c1cc(C(F)(F)F)ccn1 ZINC000813211085 1049705184 /nfs/dbraw/zinc/70/51/84/1049705184.db2.gz DAORZFULANDYOE-GFUIURDCSA-N -1 1 334.272 4.129 20 30 EIEDMM N#CC(=C([O-])C=Cc1ccccc1F)c1cc(C(F)(F)F)ccn1 ZINC000813211084 1049706076 /nfs/dbraw/zinc/70/60/76/1049706076.db2.gz DAORZFULANDYOE-CFHLNLSMSA-N -1 1 334.272 4.129 20 30 EIEDMM COc1c(Br)cccc1/C=C/C(=O)c1ccc([O-])cc1 ZINC000774107234 1049811698 /nfs/dbraw/zinc/81/16/98/1049811698.db2.gz WSZMULXRNBZRAV-JXMROGBWSA-N -1 1 333.181 4.059 20 30 EIEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc2sccc2s1 ZINC000617896349 1050123096 /nfs/dbraw/zinc/12/30/96/1050123096.db2.gz HXGXDHSLCMLKPL-SNVBAGLBSA-N -1 1 337.429 4.340 20 30 EIEDMM N#Cc1ccc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)c([O-])c1 ZINC001186640311 1050380469 /nfs/dbraw/zinc/38/04/69/1050380469.db2.gz NJMFWEXYBJUNPW-UHFFFAOYSA-N -1 1 340.688 4.188 20 30 EIEDMM C#Cc1ccc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)cc1 ZINC001188828228 1050853126 /nfs/dbraw/zinc/85/31/26/1050853126.db2.gz ZQNLYMDBBFXXFW-UHFFFAOYSA-N -1 1 347.395 4.368 20 30 EIEDMM N#Cc1cccc2c([N-]S(=O)(=O)c3ccc(C4CC4)cc3)cccc12 ZINC001190500180 1051196210 /nfs/dbraw/zinc/19/62/10/1051196210.db2.gz QRFSZYJCVVUBQE-UHFFFAOYSA-N -1 1 348.427 4.390 20 30 EIEDMM C=CCC1(S(=O)(=O)[N-]c2cc(-c3ccccc3)ccc2OC)CC1 ZINC001190762864 1051261880 /nfs/dbraw/zinc/26/18/80/1051261880.db2.gz XFGHFERYWZVSIE-UHFFFAOYSA-N -1 1 343.448 4.213 20 30 EIEDMM C[C@H](CC(=O)Nc1ccc(C#N)cc1[O-])Sc1ccc(Cl)cc1 ZINC001181767544 1051303646 /nfs/dbraw/zinc/30/36/46/1051303646.db2.gz CXKCGRJGGNGVKO-LLVKDONJSA-N -1 1 346.839 4.427 20 30 EIEDMM N#Cc1ccc(Nc2c(F)ccc([O-])c2F)c(Br)c1 ZINC001175265423 1051500035 /nfs/dbraw/zinc/50/00/35/1051500035.db2.gz NXPFIYPJJKPERF-UHFFFAOYSA-N -1 1 325.112 4.048 20 30 EIEDMM C#Cc1cccc([N-]S(=O)(=O)c2cccc3c(Cl)cccc32)c1 ZINC001194429082 1052153057 /nfs/dbraw/zinc/15/30/57/1052153057.db2.gz SUUSWFXMHUSNPJ-UHFFFAOYSA-N -1 1 341.819 4.275 20 30 EIEDMM C#Cc1ccc([N-]S(=O)(=O)c2cccc3c(Cl)cccc32)cc1 ZINC001194431367 1052153293 /nfs/dbraw/zinc/15/32/93/1052153293.db2.gz JEUJPICGGOPHOY-UHFFFAOYSA-N -1 1 341.819 4.275 20 30 EIEDMM Cc1cccc(C)c1S(=O)(=O)[N-]c1cccc2c(C#N)cccc12 ZINC001194638187 1052183066 /nfs/dbraw/zinc/18/30/66/1052183066.db2.gz INNXMKNRYYQGDB-UHFFFAOYSA-N -1 1 336.416 4.129 20 30 EIEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc3cc(Cl)ccc3c2)c1 ZINC001196433376 1053659889 /nfs/dbraw/zinc/65/98/89/1053659889.db2.gz XVTXEJOQQSALCX-UHFFFAOYSA-N -1 1 341.819 4.275 20 30 EIEDMM CC(C)(C)n1ncc2c1[n-]c(NN=C1CCCC(C)(C)CC1)nc2=O ZINC000853305918 1053666548 /nfs/dbraw/zinc/66/65/48/1053666548.db2.gz GTKKVAFBDQGKMO-UHFFFAOYSA-N -1 1 344.463 4.045 20 30 EIEDMM CC(C)c1ccc(-c2cc(C(=O)Nc3ccc(C#N)cc3[O-])no2)cc1 ZINC001196749683 1053748590 /nfs/dbraw/zinc/74/85/90/1053748590.db2.gz QTOOJFMRGIAPOW-UHFFFAOYSA-N -1 1 347.374 4.295 20 30 EIEDMM CC(C)(C)OC(=O)NCc1cc(-c2ccc([O-])c(C#N)c2)cs1 ZINC000854189454 1053776555 /nfs/dbraw/zinc/77/65/55/1053776555.db2.gz FIOYLHGCOGHQHQ-UHFFFAOYSA-N -1 1 330.409 4.017 20 30 EIEDMM N#Cc1cccc([O-])c1NC(=S)Nc1cc(Cl)ccc1Cl ZINC001201083779 1054674269 /nfs/dbraw/zinc/67/42/69/1054674269.db2.gz CCVCIKLJPHJKLS-UHFFFAOYSA-N -1 1 338.219 4.380 20 30 EIEDMM CCCCCCCCCCS(=O)(=O)[N-]c1cc([C@@H](C)O)ccn1 ZINC001201833755 1054929918 /nfs/dbraw/zinc/92/99/18/1054929918.db2.gz CRXIYPFBJMKNER-OAHLLOKOSA-N -1 1 342.505 4.017 20 30 EIEDMM C[C@H](CNc1cc(/C=N/[O-])cc(C(F)(F)F)c1)c1ccc(O)cc1 ZINC001169549219 1060853261 /nfs/dbraw/zinc/85/32/61/1060853261.db2.gz XAYSMUXWXMAXQV-WMJRALALSA-N -1 1 338.329 4.435 20 30 EIEDMM O=C([N-][C@H](c1ccccc1C(F)(F)F)C(F)(F)F)[C@@H]1CC1(F)F ZINC000450509280 1032536701 /nfs/dbraw/zinc/53/67/01/1032536701.db2.gz JDOOEHQBUNEFCJ-DTWKUNHWSA-N -1 1 347.205 4.080 20 30 EIEDMM Cc1cc(Nc2c(Cl)ccc(Br)c2[O-])cnc1C#N ZINC001210209617 1020936150 /nfs/dbraw/zinc/93/61/50/1020936150.db2.gz ZUONAAKBBSTPIT-UHFFFAOYSA-N -1 1 338.592 4.127 20 30 EIEDMM N#Cc1cc(N)c(Nc2cccc([O-])c2Cl)cc1C(F)(F)F ZINC001210859778 1021810586 /nfs/dbraw/zinc/81/05/86/1021810586.db2.gz NWGCYQDLHCWMDD-UHFFFAOYSA-N -1 1 327.693 4.262 20 30 EIEDMM N#CC(=C([O-])c1ccc2c(c1)COC2)c1nc(-c2ccccc2)cs1 ZINC000050206237 1021977601 /nfs/dbraw/zinc/97/76/01/1021977601.db2.gz KAYQCYNQSJBSRE-KRWDZBQOSA-N -1 1 346.411 4.330 20 30 EIEDMM N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000613449635 1022047991 /nfs/dbraw/zinc/04/79/91/1022047991.db2.gz NSWCNDYNAWICEX-UHFFFAOYSA-N -1 1 348.333 4.448 20 30 EIEDMM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc([O-])c(F)c1 ZINC000613504998 1022205592 /nfs/dbraw/zinc/20/55/92/1022205592.db2.gz QMTGCKQMIGOVRM-NSHDSACASA-N -1 1 330.384 4.178 20 30 EIEDMM N#Cc1cccc(Oc2ccc(NC(=O)c3ccc([O-])c(F)c3)cc2)c1 ZINC000613504842 1022207631 /nfs/dbraw/zinc/20/76/31/1022207631.db2.gz KHCQTUKVOFBTPS-UHFFFAOYSA-N -1 1 348.333 4.448 20 30 EIEDMM CC(C)Cn1ncc([N-]c2cc(C#N)sc2[N+](=O)[O-])c1C(F)F ZINC000893028997 1023695619 /nfs/dbraw/zinc/69/56/19/1023695619.db2.gz KDGBGIFJKZVFGF-UHFFFAOYSA-N -1 1 341.343 4.062 20 30 EIEDMM O=C1c2ccc([O-])cc2CC/C1=C/c1cc(Br)cs1 ZINC000207933531 1026227533 /nfs/dbraw/zinc/22/75/33/1026227533.db2.gz LMYAOZIVYZAKHF-POHAHGRESA-N -1 1 335.222 4.429 20 30 EIEDMM N#Cc1ccc(Nc2c([O-])c(Br)ccc2Cl)c(N)c1 ZINC001213370239 1026921163 /nfs/dbraw/zinc/92/11/63/1026921163.db2.gz AVXMDTGTLXAVAH-UHFFFAOYSA-N -1 1 338.592 4.006 20 30 EIEDMM CCSCc1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cc1 ZINC000342848283 1027289374 /nfs/dbraw/zinc/28/93/74/1027289374.db2.gz ARSGCAFBPOKEGQ-HNNXBMFYSA-N -1 1 335.432 4.306 20 30 EIEDMM N#CCCSc1ccccc1[N-]C(=O)c1c(F)cc(C#N)cc1F ZINC000150894024 1028486850 /nfs/dbraw/zinc/48/68/50/1028486850.db2.gz RJUBQSXPDCQNND-UHFFFAOYSA-N -1 1 343.358 4.095 20 30 EIEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000524300788 1028856030 /nfs/dbraw/zinc/85/60/30/1028856030.db2.gz KJKCYNXVEUJRRK-UHFFFAOYSA-N -1 1 337.828 4.096 20 30 EIEDMM Cc1csc(C(C#N)=C([O-])c2ccc(-c3ccccc3)nc2C)n1 ZINC000193269771 1030737554 /nfs/dbraw/zinc/73/75/54/1030737554.db2.gz WHRZVBKWQIYZRR-MRXNPFEDSA-N -1 1 333.416 4.312 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1 ZINC000614300664 1033973600 /nfs/dbraw/zinc/97/36/00/1033973600.db2.gz QQWUPSIHCDLUKZ-HXUWFJFHSA-N -1 1 345.402 4.113 20 30 EIEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)c1 ZINC000512813038 1034003259 /nfs/dbraw/zinc/00/32/59/1034003259.db2.gz BPCGRNZIIGTJNZ-UHFFFAOYSA-N -1 1 337.828 4.014 20 30 EIEDMM COc1ccc2oc(C(C)N=Nc3ccccc3C(=O)[O-])c(C)c2c1 ZINC000729143602 1034726898 /nfs/dbraw/zinc/72/68/98/1034726898.db2.gz NPEKDBUDCCMLOG-UHFFFAOYSA-N -1 1 338.363 4.284 20 30 EIEDMM COc1cc(/C=C2/Oc3c(cccc3Cl)C2=O)cc(Cl)c1[O-] ZINC000729149783 1034730084 /nfs/dbraw/zinc/73/00/84/1034730084.db2.gz GNKQAZVQOKARJA-NTUHNPAUSA-N -1 1 337.158 4.324 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H](CCCc3ccccc3)C2)c1 ZINC000589194118 1036702990 /nfs/dbraw/zinc/70/29/90/1036702990.db2.gz YYPUOCNDHAHLDQ-SFHVURJKSA-N -1 1 348.446 4.139 20 30 EIEDMM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593199384 1038010303 /nfs/dbraw/zinc/01/03/03/1038010303.db2.gz JWWOUGPPQCBDDO-UHFFFAOYSA-N -1 1 342.464 4.241 20 30 EIEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(C#N)c(Cl)c2)s1 ZINC000555698425 1039548558 /nfs/dbraw/zinc/54/85/58/1039548558.db2.gz KQZPGYPMQYGXFI-GFCCVEGCSA-N -1 1 343.839 4.456 20 30 EIEDMM CC(C)(C)c1ccccc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000483207756 1040768879 /nfs/dbraw/zinc/76/88/79/1040768879.db2.gz VYOABHWGDPLLJB-OAHLLOKOSA-N -1 1 329.403 4.417 20 30 EIEDMM C=CCN(CCc1ccccc1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436763099 1041459693 /nfs/dbraw/zinc/45/96/93/1041459693.db2.gz IVTLHMFFERFRBA-UHFFFAOYSA-N -1 1 349.352 4.282 20 30 EIEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1nc3ccc(F)cc3s1)O2 ZINC000761477001 1042622556 /nfs/dbraw/zinc/62/25/56/1042622556.db2.gz LCGKNOJCOAVJTP-QPEQYQDCSA-N -1 1 327.336 4.066 20 30 EIEDMM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000114061420 1043502264 /nfs/dbraw/zinc/50/22/64/1043502264.db2.gz LYWWSJGCUFVZPK-UHFFFAOYSA-N -1 1 328.437 4.099 20 30 EIEDMM N#Cc1cc(Br)cc(Nc2cc(F)cc(F)c2[O-])c1 ZINC001212487248 1043525525 /nfs/dbraw/zinc/52/55/25/1043525525.db2.gz CDPWMECBXJGOHU-UHFFFAOYSA-N -1 1 325.112 4.048 20 30 EIEDMM C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1scnc1Cl ZINC000731332190 1043736687 /nfs/dbraw/zinc/73/66/87/1043736687.db2.gz FXGPXJILOKYFGM-VIFPVBQESA-N -1 1 337.857 4.443 20 30 EIEDMM CCC(CC)c1cc(C(=O)[N-]c2sc3c(c2C#N)CCC3)on1 ZINC000172706995 1043816760 /nfs/dbraw/zinc/81/67/60/1043816760.db2.gz ZVORQMXQTBYIPS-UHFFFAOYSA-N -1 1 329.425 4.252 20 30 EIEDMM N#Cc1ccc(C(=O)N2CCCC[C@@H]2CCCc2ccccc2)cc1[O-] ZINC000443076429 1044006918 /nfs/dbraw/zinc/00/69/18/1044006918.db2.gz SBQYNVCIDNZGGL-HXUWFJFHSA-N -1 1 348.446 4.281 20 30 EIEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(F)ccc1[O-] ZINC000094125841 1044528857 /nfs/dbraw/zinc/52/88/57/1044528857.db2.gz FZOZHWBIBRZNME-LLVKDONJSA-N -1 1 330.384 4.178 20 30 EIEDMM CC(C)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000317036832 1045462778 /nfs/dbraw/zinc/46/27/78/1045462778.db2.gz RGJYRSNNRWXKFS-UHFFFAOYSA-N -1 1 334.828 4.136 20 30 EIEDMM CC(=NNCc1cnc2ccccc2c1)c1ccc([O-])c(Cl)c1 ZINC000768783959 1045842199 /nfs/dbraw/zinc/84/21/99/1045842199.db2.gz JRDURUJOAMRPEM-UHFFFAOYSA-N -1 1 325.799 4.108 20 30 EIEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1csc(-c3ccccc3)n1)O2 ZINC000915988757 1045861508 /nfs/dbraw/zinc/86/15/08/1045861508.db2.gz FWQTYWOMCDOLPS-PXNMLYILSA-N -1 1 335.384 4.440 20 30 EIEDMM CCOc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cc2)cc1OCC ZINC000916240950 1045960388 /nfs/dbraw/zinc/96/03/88/1045960388.db2.gz XXYYDANMFLKBAT-UHFFFAOYSA-N -1 1 342.395 4.018 20 30 EIEDMM [O-]c1ccc(C=NNc2ccccc2Cl)cc1Br ZINC000916262390 1045974714 /nfs/dbraw/zinc/97/47/14/1045974714.db2.gz KGKHJMULTYNSAK-UHFFFAOYSA-N -1 1 325.593 4.254 20 30 EIEDMM CCCCCCCCCN(C)C(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000747367881 1047400347 /nfs/dbraw/zinc/40/03/47/1047400347.db2.gz HXQBXFSHUNPXAM-UHFFFAOYSA-N -1 1 335.492 4.437 20 30 EIEDMM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1nc(Cl)cs1 ZINC000789939123 1047492136 /nfs/dbraw/zinc/49/21/36/1047492136.db2.gz XUVMKCKWDYHPBR-SECBINFHSA-N -1 1 337.857 4.301 20 30 EIEDMM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000108239072 1047796451 /nfs/dbraw/zinc/79/64/51/1047796451.db2.gz LXGYLABDRGEJFH-SNVBAGLBSA-N -1 1 347.421 4.160 20 30 EIEDMM CC(C)CCO[C@H](C)C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901378261 1048666028 /nfs/dbraw/zinc/66/60/28/1048666028.db2.gz JUQCBYKLIMUCBM-LLVKDONJSA-N -1 1 334.243 4.162 20 30 EIEDMM C=C[C@@H](C)O[N-]C(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1 ZINC001144589456 1048741456 /nfs/dbraw/zinc/74/14/56/1048741456.db2.gz NNJHZLCJAGTQFQ-OAHLLOKOSA-N -1 1 346.430 4.375 20 30 EIEDMM [O-]c1ccc(C=NNc2ccc(Br)cc2)cc1Cl ZINC000921257515 1048893750 /nfs/dbraw/zinc/89/37/50/1048893750.db2.gz FMXYNQRTPMSBTH-UHFFFAOYSA-N -1 1 325.593 4.254 20 30 EIEDMM CCCNc1ccc(C#N)cc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC001147155718 1049093483 /nfs/dbraw/zinc/09/34/83/1049093483.db2.gz BVBNMXUZHXSQPT-UHFFFAOYSA-N -1 1 337.423 4.461 20 30 EIEDMM CN1c2ccccc2C(C)(C)C1C=CN=Nc1ccccc1C(=O)[O-] ZINC000812442510 1049467902 /nfs/dbraw/zinc/46/79/02/1049467902.db2.gz DZRDCRXNEHEZMT-DCADJGDDSA-N -1 1 335.407 4.094 20 30 EIEDMM CCOc1ccc(C(C)N=Nc2ccccc2C(=O)[O-])cc1OCC ZINC000812444883 1049470123 /nfs/dbraw/zinc/47/01/23/1049470123.db2.gz OMMVDYJKCXDFRB-UHFFFAOYSA-N -1 1 342.395 4.018 20 30 EIEDMM CCOc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)ccc1C ZINC000080454729 1049582630 /nfs/dbraw/zinc/58/26/30/1049582630.db2.gz AYIOLNLWNOMKMB-AWEZNQCLSA-N -1 1 328.437 4.464 20 30 EIEDMM N#CC(=C([O-])C=Cc1ccccc1F)c1cc(C(F)(F)F)ccn1 ZINC000813211086 1049704764 /nfs/dbraw/zinc/70/47/64/1049704764.db2.gz DAORZFULANDYOE-SZZPACECSA-N -1 1 334.272 4.129 20 30 EIEDMM CCCCCCCCS(=O)(=O)[N-]c1cccc(C(F)(F)F)n1 ZINC001187993434 1050668399 /nfs/dbraw/zinc/66/83/99/1050668399.db2.gz WBRJXWVUESKJNR-UHFFFAOYSA-N -1 1 338.395 4.203 20 30 EIEDMM CCCCCCCCS(=O)(=O)[N-]c1ccc(F)c(F)c1OC ZINC001188017820 1050680003 /nfs/dbraw/zinc/68/00/03/1050680003.db2.gz FWZZBIVFTRTCCG-UHFFFAOYSA-N -1 1 335.416 4.076 20 30 EIEDMM C=CCn1ncc2ccc(NC(=O)c3ccc4ccccc4c3[O-])cc21 ZINC001179488785 1050704347 /nfs/dbraw/zinc/70/43/47/1050704347.db2.gz PAPYOAMKPOHILV-UHFFFAOYSA-N -1 1 343.386 4.333 20 30 EIEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2)c1 ZINC000619461228 1050786739 /nfs/dbraw/zinc/78/67/39/1050786739.db2.gz YNQMPPPCISCKOH-UHFFFAOYSA-N -1 1 348.427 4.220 20 30 EIEDMM CCC(C)(C)c1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC000619464007 1050788763 /nfs/dbraw/zinc/78/87/63/1050788763.db2.gz YNPPQRYISNLGTM-UHFFFAOYSA-N -1 1 342.464 4.241 20 30 EIEDMM C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(C#N)cc2[O-])c1 ZINC001189270361 1050954589 /nfs/dbraw/zinc/95/45/89/1050954589.db2.gz CSWSYACDMQJNEC-UHFFFAOYSA-N -1 1 335.407 4.354 20 30 EIEDMM N#Cc1ccc(Nc2c(F)cc([O-])cc2F)c(Br)c1 ZINC001175099888 1051348287 /nfs/dbraw/zinc/34/82/87/1051348287.db2.gz FJCHAVODUYKSFX-UHFFFAOYSA-N -1 1 325.112 4.048 20 30 EIEDMM N#Cc1cc(Br)c(F)cc1Nc1c(F)cc([O-])cc1F ZINC001175102082 1051350439 /nfs/dbraw/zinc/35/04/39/1051350439.db2.gz DDKYMXYWWWKRCA-UHFFFAOYSA-N -1 1 343.102 4.187 20 30 EIEDMM C=C1CC=C(F)C=C1NC(=O)c1ccccc1C(=O)c1ccc([O-])cc1 ZINC001191517934 1051472858 /nfs/dbraw/zinc/47/28/58/1051472858.db2.gz NVNUBNNKKXMKGF-UHFFFAOYSA-N -1 1 349.361 4.050 20 30 EIEDMM N#Cc1c([O-])csc1NC(=O)Nc1cc(F)cc(C(F)(F)F)c1 ZINC001191561091 1051490418 /nfs/dbraw/zinc/49/04/18/1051490418.db2.gz DPSWZFPRIIKOHF-UHFFFAOYSA-N -1 1 345.277 4.127 20 30 EIEDMM CCCCCCCCCCOC(=O)Nc1ccc(C(N)=O)cc1[O-] ZINC001194928322 1053177344 /nfs/dbraw/zinc/17/73/44/1053177344.db2.gz NYESXJICVLTVOJ-UHFFFAOYSA-N -1 1 336.432 4.180 20 30 EIEDMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(C(C)(C)C#N)c2)c1 ZINC001195156306 1053310287 /nfs/dbraw/zinc/31/02/87/1053310287.db2.gz HYCHTUCAIAQNRD-UHFFFAOYSA-N -1 1 342.464 4.412 20 30 EIEDMM CC[C@H](C)C[C@@H](C)NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196321178 1053636284 /nfs/dbraw/zinc/63/62/84/1053636284.db2.gz VWVXLOORWDISTL-LSDHHAIUSA-N -1 1 336.435 4.485 20 30 EIEDMM CC[C@@H]1CCCC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)CC1 ZINC000853306065 1053667220 /nfs/dbraw/zinc/66/72/20/1053667220.db2.gz JLFPYJCRFUIKCZ-GFCCVEGCSA-N -1 1 344.463 4.045 20 30 EIEDMM CC(C)Cn1ncc(N[C@@H](C)c2cccc(C#N)c2[O-])c1C(F)F ZINC000866335707 1053694230 /nfs/dbraw/zinc/69/42/30/1053694230.db2.gz DYMORADFJGHPPB-NSHDSACASA-N -1 1 334.370 4.227 20 30 EIEDMM COc1ccc(N[C@H](C)c2cccc(C#N)c2[O-])cc1OC(C)C ZINC000866339318 1053695532 /nfs/dbraw/zinc/69/55/32/1053695532.db2.gz JIPMJQXEVBKLNQ-CYBMUJFWSA-N -1 1 326.396 4.233 20 30 EIEDMM N#Cc1cccc(NC(=S)Nc2ccc(C(F)(F)F)cc2[O-])c1 ZINC001197714387 1053978956 /nfs/dbraw/zinc/97/89/56/1053978956.db2.gz BAQBDCIGIGTDCK-UHFFFAOYSA-N -1 1 337.326 4.092 20 30 EIEDMM COc1cc(/C=C2/CCc3cc([O-])ccc3C2=O)ccc1OC(F)F ZINC000207933910 1054028900 /nfs/dbraw/zinc/02/89/00/1054028900.db2.gz YAXCWSCXLFFGHR-JYRVWZFOSA-N -1 1 346.329 4.215 20 30 EIEDMM Cc1ccccc1S(=O)(=O)[N-]c1ccccc1SC[C@@H](C)C#N ZINC000108252027 1055999575 /nfs/dbraw/zinc/99/95/75/1055999575.db2.gz BQXRCAZJWFBYQL-ZDUSSCGKSA-N -1 1 346.477 4.048 20 30 EIEDMM [O-]/N=C/c1cc(N[C@@H]2CCNc3ccccc32)cc(C(F)(F)F)c1 ZINC001168645671 1056013576 /nfs/dbraw/zinc/01/35/76/1056013576.db2.gz RKGIXELTTUDMKC-YJCKXXIQSA-N -1 1 335.329 4.482 20 30 EIEDMM CC(C)(C)OC(=O)C(C)(C)Nc1cc(/C=N/[O-])cc(C(F)(F)F)c1 ZINC001169582550 1060870973 /nfs/dbraw/zinc/87/09/73/1060870973.db2.gz IVIMKUXFTGWORN-AWQFTUOYSA-N -1 1 346.349 4.046 20 30 EIEDMM COCc1ccccc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430594154 1023163963 /nfs/dbraw/zinc/16/39/63/1023163963.db2.gz JYALJLQZUPFEBT-CQSZACIVSA-N -1 1 328.437 4.077 20 30 EIEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccnc3ccccc32)s1 ZINC000430610091 1023354472 /nfs/dbraw/zinc/35/44/72/1023354472.db2.gz JTJJTLBOTMVMCD-AWEZNQCLSA-N -1 1 335.432 4.479 20 30 EIEDMM [O-]/N=C/c1cc(NCc2ccc3c(c2)CCO3)cc(C(F)(F)F)c1 ZINC001167781391 1024324279 /nfs/dbraw/zinc/32/42/79/1024324279.db2.gz IRIZFUIAHDEYFD-LSHDLFTRSA-N -1 1 336.313 4.061 20 30 EIEDMM O=C1c2ccc([O-])cc2O/C1=C\c1csc(-c2cccs2)n1 ZINC000728441104 1025528860 /nfs/dbraw/zinc/52/88/60/1025528860.db2.gz ZYGCBSKCTKOYTL-MLPAPPSSSA-N -1 1 327.386 4.193 20 30 EIEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cccnc2C2CC2)s1 ZINC000684676649 1025540479 /nfs/dbraw/zinc/54/04/79/1025540479.db2.gz YMOZBQGDIFNXSN-ZDUSSCGKSA-N -1 1 325.437 4.203 20 30 EIEDMM O=C1c2ccc([O-])cc2C/C1=C/c1ccc(OCc2ccncc2)cc1 ZINC000588535273 1026870674 /nfs/dbraw/zinc/87/06/74/1026870674.db2.gz ZFPRESKQZIRZGF-WQRHYEAKSA-N -1 1 343.382 4.189 20 30 EIEDMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(C(C)(C)C#N)cc1 ZINC000188344290 1027382362 /nfs/dbraw/zinc/38/23/62/1027382362.db2.gz UAOGCPXFQNQDNQ-UHFFFAOYSA-N -1 1 346.477 4.010 20 30 EIEDMM N#CC(=C([O-])c1ccc(-n2cccc2)cc1)c1nc2ccccc2o1 ZINC000041544063 1027526484 /nfs/dbraw/zinc/52/64/84/1027526484.db2.gz VDEXOQQOKQXTCE-INIZCTEOSA-N -1 1 327.343 4.109 20 30 EIEDMM O=C1c2ccc([O-])cc2CC/C1=C\c1ccc(OCC(F)F)cc1 ZINC000303936888 1027703833 /nfs/dbraw/zinc/70/38/33/1027703833.db2.gz RTXRZZPOMNSZBW-NTEUORMPSA-N -1 1 330.330 4.249 20 30 EIEDMM N#Cc1c(F)cc(Br)cc1Nc1cc(F)c([O-])c(F)c1 ZINC001213388935 1028855876 /nfs/dbraw/zinc/85/58/76/1028855876.db2.gz UHMHXEGRHYRBLT-UHFFFAOYSA-N -1 1 343.102 4.187 20 30 EIEDMM N#CC(=C([O-])c1ccc(Br)cc1)c1nc(C2CC2)cs1 ZINC000647371545 1030874863 /nfs/dbraw/zinc/87/48/63/1030874863.db2.gz SLRPAOYVSKLPHO-LBPRGKRZSA-N -1 1 347.237 4.273 20 30 EIEDMM N#CC(=C([O-])c1cccc([C@H]2CCOC2)c1)c1nc(C2CC2)cs1 ZINC000647378560 1030896975 /nfs/dbraw/zinc/89/69/75/1030896975.db2.gz FRDNGODRJPZFRB-JKSUJKDBSA-N -1 1 338.432 4.014 20 30 EIEDMM CCOc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)ccc1C ZINC000647378112 1030907564 /nfs/dbraw/zinc/90/75/64/1030907564.db2.gz VTVHRHUVKYUPQP-AWEZNQCLSA-N -1 1 326.421 4.218 20 30 EIEDMM COCc1cccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)c1 ZINC000041534187 1031499513 /nfs/dbraw/zinc/49/95/13/1031499513.db2.gz FHWDJQRZURBVJZ-QGZVFWFLSA-N -1 1 348.427 4.447 20 30 EIEDMM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614295716 1033972089 /nfs/dbraw/zinc/97/20/89/1033972089.db2.gz YTKWKSCQFRSECQ-JTQLQIEISA-N -1 1 349.217 4.404 20 30 EIEDMM C[C@@H](CNC(=O)c1cc([O-])cc(C#N)c1)c1c(Cl)cccc1Cl ZINC000614368287 1034478049 /nfs/dbraw/zinc/47/80/49/1034478049.db2.gz JOVACDJHZBDGRI-JTQLQIEISA-N -1 1 349.217 4.104 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)N2CCCCC[C@H]2/C=C/c2ccccc2)c1 ZINC000614375136 1034491294 /nfs/dbraw/zinc/49/12/94/1034491294.db2.gz FUORIFRSJUSBPW-CFGKVWFZSA-N -1 1 346.430 4.362 20 30 EIEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000597782287 1036349197 /nfs/dbraw/zinc/34/91/97/1036349197.db2.gz VQXYDSMVNBQMHS-WOJBJXKFSA-N -1 1 334.419 4.062 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(NC3CCCCC3)cc2)c1 ZINC000589174466 1036684733 /nfs/dbraw/zinc/68/47/33/1036684733.db2.gz RIQUFLBGPPMPJB-UHFFFAOYSA-N -1 1 335.407 4.261 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@@H](CCCc3ccccc3)C2)c1 ZINC000589194117 1036705405 /nfs/dbraw/zinc/70/54/05/1036705405.db2.gz YYPUOCNDHAHLDQ-GOSISDBHSA-N -1 1 348.446 4.139 20 30 EIEDMM CC(C)c1ccc(C[C@@H]2CCN(C(=O)c3cc([O-])cc(C#N)c3)C2)cc1 ZINC000589205684 1036711181 /nfs/dbraw/zinc/71/11/81/1036711181.db2.gz FDLLCVBDTZQCHK-KRWDZBQOSA-N -1 1 348.446 4.092 20 30 EIEDMM COCc1cccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)c1 ZINC000592974607 1037882165 /nfs/dbraw/zinc/88/21/65/1037882165.db2.gz VITPBLXYAGXDDN-AWEZNQCLSA-N -1 1 340.379 4.072 20 30 EIEDMM Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)c(C)cc1Cl ZINC000483991976 1041090320 /nfs/dbraw/zinc/09/03/20/1041090320.db2.gz HALCWWUAZUGZIR-CQSZACIVSA-N -1 1 335.794 4.390 20 30 EIEDMM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)c1ccc(C#N)c([O-])c1 ZINC000443309214 1041336742 /nfs/dbraw/zinc/33/67/42/1041336742.db2.gz DZUQBEWEQMVIIY-IBGZPJMESA-N -1 1 336.435 4.056 20 30 EIEDMM N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(O)cc3[O-])cc2)c1 ZINC000436696208 1041429497 /nfs/dbraw/zinc/42/94/97/1041429497.db2.gz HWIRUMPPOZCUCW-UHFFFAOYSA-N -1 1 346.342 4.014 20 30 EIEDMM N#CCC[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1ccccc1 ZINC000436765749 1041474559 /nfs/dbraw/zinc/47/45/59/1041474559.db2.gz YKWLTIVSHBELFZ-HNNXBMFYSA-N -1 1 348.324 4.186 20 30 EIEDMM N#Cc1c(F)ccc(/C=C2\CCc3cc([O-])ccc3C2=O)c1Cl ZINC000761478612 1042723916 /nfs/dbraw/zinc/72/39/16/1042723916.db2.gz UNTZKHQUCPUXOH-KPKJPENVSA-N -1 1 327.742 4.269 20 30 EIEDMM CCCCOc1cc(/C=C\C(=O)c2ccc([O-])cc2)ccc1OC ZINC000111690930 1042935844 /nfs/dbraw/zinc/93/58/44/1042935844.db2.gz XHTJBIFOTQDDPF-WZUFQYTHSA-N -1 1 326.392 4.476 20 30 EIEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1cnc(-c3ccccc3)s1)O2 ZINC000727267008 1043180245 /nfs/dbraw/zinc/18/02/45/1043180245.db2.gz MHLYRZFFWIPREF-CXUHLZMHSA-N -1 1 335.384 4.440 20 30 EIEDMM CCC(CC)[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccs1 ZINC000442945708 1043911116 /nfs/dbraw/zinc/91/11/16/1043911116.db2.gz XFIZPLLSLXEDGE-QGZVFWFLSA-N -1 1 328.437 4.233 20 30 EIEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000443414001 1044265411 /nfs/dbraw/zinc/26/54/11/1044265411.db2.gz BNFFTKZKQBPTKQ-UHFFFAOYSA-N -1 1 338.432 4.154 20 30 EIEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000443417260 1044268409 /nfs/dbraw/zinc/26/84/09/1044268409.db2.gz PMYDORFCXGDIBA-UHFFFAOYSA-N -1 1 338.432 4.154 20 30 EIEDMM Fc1c(F)c(F)c([N-][C@H](c2ccccn2)C(F)(F)F)c(F)c1F ZINC001168477468 1044683114 /nfs/dbraw/zinc/68/31/14/1044683114.db2.gz CLQZRXCNIAQCCV-GFCCVEGCSA-N -1 1 342.189 4.493 20 30 EIEDMM COc1cc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2C)cc(Cl)c1[O-] ZINC000739423696 1045143015 /nfs/dbraw/zinc/14/30/15/1045143015.db2.gz BURMDFRIDKEIIG-XQRVVYSFSA-N -1 1 347.754 4.167 20 30 EIEDMM CC(F)(F)CC(=O)[N-][C@@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000429095240 1045145553 /nfs/dbraw/zinc/14/55/53/1045145553.db2.gz MPZFFGKSIVGULK-JTQLQIEISA-N -1 1 349.221 4.470 20 30 EIEDMM CCC(N=Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccc2c(c1)CCO2 ZINC000915940042 1045843887 /nfs/dbraw/zinc/84/38/87/1045843887.db2.gz ZVDRMKJLYCMLOA-UHFFFAOYSA-N -1 1 344.798 4.199 20 30 EIEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(Cl)c(Cl)c1Cl ZINC000916241527 1045968024 /nfs/dbraw/zinc/96/80/24/1045968024.db2.gz IHYVAVLARSANKO-UHFFFAOYSA-N -1 1 345.617 4.287 20 30 EIEDMM CCCC[C@@H]1CCCC1=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000769812695 1046079529 /nfs/dbraw/zinc/07/95/29/1046079529.db2.gz OUGWBQRBIARKBJ-GFCCVEGCSA-N -1 1 344.463 4.045 20 30 EIEDMM COc1cc(NN=C(C)c2cc(F)cc(F)c2[O-])ccc1Cl ZINC000788471986 1047195204 /nfs/dbraw/zinc/19/52/04/1047195204.db2.gz MWPHVJWBRBOMJF-UHFFFAOYSA-N -1 1 326.730 4.169 20 30 EIEDMM N#CC(=C([O-])C=Cc1ccc(-c2ccc(F)cc2)s1)c1ccncn1 ZINC000760341707 1047330497 /nfs/dbraw/zinc/33/04/97/1047330497.db2.gz TXMKHCJPMMCVER-YERXGYGTSA-N -1 1 349.390 4.234 20 30 EIEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1cnc(-c3ccco3)s1)O2 ZINC000789127059 1047375617 /nfs/dbraw/zinc/37/56/17/1047375617.db2.gz IBTCBCOWUCHBFX-VGOFMYFVSA-N -1 1 325.345 4.033 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccc(COc3ccccc3)c2)c1 ZINC000809619826 1048425291 /nfs/dbraw/zinc/42/52/91/1048425291.db2.gz YVOAOJBNHVZBFN-UHFFFAOYSA-N -1 1 344.370 4.095 20 30 EIEDMM C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(C)cc(C=O)c1[O-] ZINC001135487200 1048747637 /nfs/dbraw/zinc/74/76/37/1048747637.db2.gz SUSDATPYIMHZMM-UHFFFAOYSA-N -1 1 349.839 4.056 20 30 EIEDMM C=CCNC(=O)Nc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816524621 1048829321 /nfs/dbraw/zinc/82/93/21/1048829321.db2.gz MDONCKHSOLEZLM-UHFFFAOYSA-N -1 1 349.793 4.104 20 30 EIEDMM C=CCOc1cccc(NC(=O)c2ccc3ccc(O)cc3c2[O-])c1 ZINC001136388824 1049571427 /nfs/dbraw/zinc/57/14/27/1049571427.db2.gz FEOGOGRLHILGNL-UHFFFAOYSA-N -1 1 335.359 4.068 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)N2C[C@@H](c3ccccc3)c3ccccc32)c1 ZINC000618257914 1050323882 /nfs/dbraw/zinc/32/38/82/1050323882.db2.gz UYUAHZHLTXCZTJ-FQEVSTJZSA-N -1 1 340.382 4.056 20 30 EIEDMM CCCCCCCC[C@H](CCC)Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001173308814 1050402855 /nfs/dbraw/zinc/40/28/55/1050402855.db2.gz CNVVPRDFPBWDPY-LBPRGKRZSA-N -1 1 335.452 4.047 20 30 EIEDMM N#Cc1c([O-])csc1NC(=O)NC(c1ccccc1)c1ccccc1 ZINC001189517477 1051004814 /nfs/dbraw/zinc/00/48/14/1051004814.db2.gz PLZCQVNLELYXNT-UHFFFAOYSA-N -1 1 349.415 4.236 20 30 EIEDMM N#Cc1cnn(-c2cccc(Cl)c2)c1Nc1c(F)ccc([O-])c1F ZINC001175263195 1051501919 /nfs/dbraw/zinc/50/19/19/1051501919.db2.gz GOGFDVZNDIKWFG-UHFFFAOYSA-N -1 1 346.724 4.125 20 30 EIEDMM N#Cc1c(F)c(Br)ccc1Nc1c(F)ccc([O-])c1F ZINC001175270164 1051508209 /nfs/dbraw/zinc/50/82/09/1051508209.db2.gz VAKMQTHXLSCKSI-UHFFFAOYSA-N -1 1 343.102 4.187 20 30 EIEDMM N#Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)c([O-])c1 ZINC001182361230 1051525681 /nfs/dbraw/zinc/52/56/81/1051525681.db2.gz GUCPTIIFENSAIC-OLZOCXBDSA-N -1 1 346.308 4.025 20 30 EIEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)cc1 ZINC001194131209 1052078389 /nfs/dbraw/zinc/07/83/89/1052078389.db2.gz OLWWPSQBZBMNPP-UHFFFAOYSA-N -1 1 340.429 4.088 20 30 EIEDMM N#Cc1cccc([O-])c1NC(=O)Nc1cc(C(F)(F)F)ccc1F ZINC001185618406 1052269729 /nfs/dbraw/zinc/26/97/29/1052269729.db2.gz LELLRZCLVHFNRJ-UHFFFAOYSA-N -1 1 339.248 4.066 20 30 EIEDMM N#Cc1cc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)ccc1[O-] ZINC001185617404 1052272505 /nfs/dbraw/zinc/27/25/05/1052272505.db2.gz ABHVWXVQOVNHOB-UHFFFAOYSA-N -1 1 339.248 4.066 20 30 EIEDMM N#Cc1c([N-]C(=O)c2c(F)cncc2Cl)sc2ccccc21 ZINC001195467703 1053417427 /nfs/dbraw/zinc/41/74/27/1053417427.db2.gz CZQUHRXNXLNFFM-UHFFFAOYSA-N -1 1 331.759 4.213 20 30 EIEDMM CC[C@@H](NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1)C(F)(F)F ZINC001196330421 1053642494 /nfs/dbraw/zinc/64/24/94/1053642494.db2.gz QXSALFPCNMTMSQ-MRXNPFEDSA-N -1 1 348.324 4.002 20 30 EIEDMM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1cccc(Cl)c1[O-] ZINC000775735743 1053726973 /nfs/dbraw/zinc/72/69/73/1053726973.db2.gz TVHDPMKPECIURF-WMZOPIPTSA-N -1 1 326.827 4.317 20 30 EIEDMM O=C1c2cc(O)ccc2CC/C1=C\c1ccc([O-])c(Br)c1 ZINC000794960288 1053831542 /nfs/dbraw/zinc/83/15/42/1053831542.db2.gz QFNUQCVRWCFYRH-KPKJPENVSA-N -1 1 345.192 4.073 20 30 EIEDMM Cc1c(Cl)c(C#N)ccc1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198869631 1054297939 /nfs/dbraw/zinc/29/79/39/1054297939.db2.gz YJSWKGCWSDARFN-UHFFFAOYSA-N -1 1 346.795 4.067 20 30 EIEDMM N#Cc1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)c([O-])c1 ZINC001201168002 1054722088 /nfs/dbraw/zinc/72/20/88/1054722088.db2.gz LGKQORFXTXTGNM-UHFFFAOYSA-N -1 1 338.219 4.380 20 30 EIEDMM Cc1cc(C(C#N)=C([O-])c2coc3ccc(C(C)C)cc32)nc(C)n1 ZINC000347601025 1054778004 /nfs/dbraw/zinc/77/80/04/1054778004.db2.gz VESYTOGFBIDRGG-MRXNPFEDSA-N -1 1 333.391 4.453 20 30 EIEDMM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ccc(Cl)o2)cc1 ZINC000131508723 1055081167 /nfs/dbraw/zinc/08/11/67/1055081167.db2.gz FEUPZCDOOZELQO-SMDDNHRTSA-N -1 1 344.798 4.408 20 30 EIEDMM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2ccc(Cl)o2)cc1 ZINC000131508058 1055081624 /nfs/dbraw/zinc/08/16/24/1055081624.db2.gz FEUPZCDOOZELQO-RISCZKNCSA-N -1 1 344.798 4.408 20 30 EIEDMM O=C([N-][C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)[C@H]1CC1(F)F ZINC000450509279 1032536794 /nfs/dbraw/zinc/53/67/94/1032536794.db2.gz JDOOEHQBUNEFCJ-BDAKNGLRSA-N -1 1 347.205 4.080 20 30 EIEDMM C[C@H]1Cc2c(C#N)c([N-]C(=O)c3c(F)ccnc3F)sc2[C@@H](C)C1 ZINC000891171958 1021448133 /nfs/dbraw/zinc/44/81/33/1021448133.db2.gz FNGDLCQKTSOKIM-BDAKNGLRSA-N -1 1 347.390 4.231 20 30 EIEDMM CCOc1cccc(C(=O)/C=C\c2ccc([O-])c(Br)c2)c1 ZINC000208045658 1023349497 /nfs/dbraw/zinc/34/94/97/1023349497.db2.gz CLIJOTQQBFXEAT-VURMDHGXSA-N -1 1 347.208 4.450 20 30 EIEDMM C=CCOc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)c1 ZINC000511733073 1023843150 /nfs/dbraw/zinc/84/31/50/1023843150.db2.gz CAIKUROEOMIYLU-UHFFFAOYSA-N -1 1 337.828 4.014 20 30 EIEDMM CCc1c(C)sc([N-]C(=O)c2cc(COC(C)(C)C)on2)c1C#N ZINC000471793375 1023854369 /nfs/dbraw/zinc/85/43/69/1023854369.db2.gz MZBCTGJAUZGLIF-UHFFFAOYSA-N -1 1 347.440 4.046 20 30 EIEDMM COc1ccc(/C=C/C(=O)c2ccc([O-])cc2)cc1Br ZINC000007718021 1025455296 /nfs/dbraw/zinc/45/52/96/1025455296.db2.gz PIYGEYCSIDQPBD-KRXBUXKQSA-N -1 1 333.181 4.059 20 30 EIEDMM CCn1c(C)cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1C ZINC000430625519 1027154044 /nfs/dbraw/zinc/15/40/44/1027154044.db2.gz JRHROGSFAUCLBG-AWEZNQCLSA-N -1 1 329.469 4.369 20 30 EIEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000329108548 1027596635 /nfs/dbraw/zinc/59/66/35/1027596635.db2.gz FKFWZJZWRPBMPA-SOUVJXGZSA-N -1 1 345.487 4.452 20 30 EIEDMM N#Cc1cc(Br)cc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001213381717 1028498290 /nfs/dbraw/zinc/49/82/90/1028498290.db2.gz BNXUXLXZOKEBBH-UHFFFAOYSA-N -1 1 325.112 4.048 20 30 EIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2Nc2ccccc2)cc1 ZINC000440822265 1028807784 /nfs/dbraw/zinc/80/77/84/1028807784.db2.gz ARABCXJTJVFYJS-UHFFFAOYSA-N -1 1 349.415 4.103 20 30 EIEDMM N#Cc1cc([N-]S(=O)(=O)c2cccc3ccccc32)ccc1Cl ZINC000323602678 1029123696 /nfs/dbraw/zinc/12/36/96/1029123696.db2.gz ZMWCCEWUKVLHFK-UHFFFAOYSA-N -1 1 342.807 4.166 20 30 EIEDMM O=C(/C=C\c1ccc([O-])c(F)c1)c1cc(Br)cs1 ZINC000588601113 1029842374 /nfs/dbraw/zinc/84/23/74/1029842374.db2.gz HOFFDPFVSJRGHP-RQOWECAXSA-N -1 1 327.174 4.251 20 30 EIEDMM CC(C)OCc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647375896 1030892324 /nfs/dbraw/zinc/89/23/24/1030892324.db2.gz IVEIJLNDKABZAE-INIZCTEOSA-N -1 1 340.448 4.436 20 30 EIEDMM COCc1ccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cc1 ZINC000041534758 1031499920 /nfs/dbraw/zinc/49/99/20/1031499920.db2.gz WQGYOUZBGKPHTN-KRWDZBQOSA-N -1 1 348.427 4.447 20 30 EIEDMM N#CC(=C([O-])c1ccc2c(c1)OCO2)c1nc(-c2ccccc2)cs1 ZINC000041535808 1031500490 /nfs/dbraw/zinc/50/04/90/1031500490.db2.gz HAPGSQUJAUDQGC-CQSZACIVSA-N -1 1 348.383 4.029 20 30 EIEDMM C[C@H]1CCCC1N=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000729145198 1034726122 /nfs/dbraw/zinc/72/61/22/1034726122.db2.gz JZJXKRUQLFATNE-AWEZNQCLSA-N -1 1 343.452 4.075 20 30 EIEDMM O=C(/C=C/c1ccc([O-])c(Cl)c1)c1ccc(N2CCCC2=O)cc1 ZINC000060132698 1035884491 /nfs/dbraw/zinc/88/44/91/1035884491.db2.gz NOAJZIWHXYPXMY-YCRREMRBSA-N -1 1 341.794 4.069 20 30 EIEDMM O=C(/C=C/c1cnc(-c2cccs2)s1)c1cc(O)ccc1[O-] ZINC000156651122 1036107714 /nfs/dbraw/zinc/10/77/14/1036107714.db2.gz IKFZWYQVIOQRPB-GQCTYLIASA-N -1 1 329.402 4.179 20 30 EIEDMM N#CCCC[C@@H](NC(=O)Cc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000601598110 1036165127 /nfs/dbraw/zinc/16/51/27/1036165127.db2.gz JFSGDMHKILTFEY-QGZVFWFLSA-N -1 1 342.826 4.139 20 30 EIEDMM CC1(C)CCc2sc([N-]C(=O)c3ccc([N+](=O)[O-])s3)c(C#N)c21 ZINC000906259954 1036189223 /nfs/dbraw/zinc/18/92/23/1036189223.db2.gz QFLLYAKRYIPUGG-UHFFFAOYSA-N -1 1 347.421 4.066 20 30 EIEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000597782774 1036345391 /nfs/dbraw/zinc/34/53/91/1036345391.db2.gz ZTYAXRQUWLTUQR-RTBURBONSA-N -1 1 334.419 4.062 20 30 EIEDMM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589173207 1036684874 /nfs/dbraw/zinc/68/48/74/1036684874.db2.gz DBUNQZZHYWWNBE-WOJBJXKFSA-N -1 1 334.419 4.062 20 30 EIEDMM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589173199 1036685693 /nfs/dbraw/zinc/68/56/93/1036685693.db2.gz DBUNQZZHYWWNBE-PMACEKPBSA-N -1 1 334.419 4.062 20 30 EIEDMM Cn1c(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cc2ccccc21 ZINC000592974137 1037884909 /nfs/dbraw/zinc/88/49/09/1037884909.db2.gz ODVXPFBXVCMTLN-CYBMUJFWSA-N -1 1 349.390 4.417 20 30 EIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(C#N)cc3)n2)cc1 ZINC000046442790 1038207153 /nfs/dbraw/zinc/20/71/53/1038207153.db2.gz FKUHAQZHMBHKJN-QGZVFWFLSA-N -1 1 343.411 4.480 20 30 EIEDMM CC(C)n1ncc2cc(/C=C\C(=O)c3ccc([O-])cc3)c(Cl)nc21 ZINC000912858745 1038375729 /nfs/dbraw/zinc/37/57/29/1038375729.db2.gz AQICXBXVGXFPSF-YVMONPNESA-N -1 1 341.798 4.267 20 30 EIEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc2ccccc2s1 ZINC000122216259 1039598352 /nfs/dbraw/zinc/59/83/52/1039598352.db2.gz WMPPIIZDBCLTKW-ZDUSSCGKSA-N -1 1 331.400 4.278 20 30 EIEDMM CC(C)Sc1ccc([C@@H](C)NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000442959067 1040453505 /nfs/dbraw/zinc/45/35/05/1040453505.db2.gz YAEKWEYQRWAIRW-CYBMUJFWSA-N -1 1 340.448 4.255 20 30 EIEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc([C@@H]3CCOC3)c2)n1 ZINC000551661161 1040484433 /nfs/dbraw/zinc/48/44/33/1040484433.db2.gz IVTUSCMVAXMXSE-HZPDHXFCSA-N -1 1 340.448 4.260 20 30 EIEDMM N#CCC[C@H](NC(=O)c1ccc2ccccc2c1[O-])c1ccccc1 ZINC000436605710 1041368449 /nfs/dbraw/zinc/36/84/49/1041368449.db2.gz LJXATCKGOUSXCN-IBGZPJMESA-N -1 1 330.387 4.320 20 30 EIEDMM CC(C)c1ccc(C(=O)Nc2cccc(OCCCC#N)c2)c([O-])c1 ZINC000436681184 1041419323 /nfs/dbraw/zinc/41/93/23/1041419323.db2.gz QOBBRHUGBULLOQ-UHFFFAOYSA-N -1 1 338.407 4.450 20 30 EIEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc2ccc(F)cc2s1 ZINC000613286943 1042689166 /nfs/dbraw/zinc/68/91/66/1042689166.db2.gz WDZPSWOUVNHTMF-ZDUSSCGKSA-N -1 1 349.390 4.417 20 30 EIEDMM N#Cc1c(F)ccc(/C=C2/CCc3cc([O-])ccc3C2=O)c1Cl ZINC000761478611 1042724165 /nfs/dbraw/zinc/72/41/65/1042724165.db2.gz UNTZKHQUCPUXOH-GHXNOFRVSA-N -1 1 327.742 4.269 20 30 EIEDMM COc1cc(/C=C/C(=O)c2ccc([O-])cc2)c(SC)cc1OC ZINC000078052730 1042772439 /nfs/dbraw/zinc/77/24/39/1042772439.db2.gz AXKSAAIOJASSIH-RMKNXTFCSA-N -1 1 330.405 4.027 20 30 EIEDMM N#CCc1ccc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)cc1 ZINC000506717897 1042807487 /nfs/dbraw/zinc/80/74/87/1042807487.db2.gz FHTAUXMOTBOTEF-UHFFFAOYSA-N -1 1 348.427 4.220 20 30 EIEDMM N#CC(=C([O-])c1cccc([C@@H]2CCOC2)c1)c1nc2ccccc2s1 ZINC000536441025 1042869765 /nfs/dbraw/zinc/86/97/65/1042869765.db2.gz BILADSFHJRQTCN-CVEARBPZSA-N -1 1 348.427 4.290 20 30 EIEDMM Cc1csc(C(C#N)=C([O-])c2ccc(-c3csc(C)n3)cc2)n1 ZINC000442032032 1043466766 /nfs/dbraw/zinc/46/67/66/1043466766.db2.gz PJUBEKBIFZIUGR-CQSZACIVSA-N -1 1 339.445 4.374 20 30 EIEDMM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442875698 1043873414 /nfs/dbraw/zinc/87/34/14/1043873414.db2.gz UGPHKZDUQWZRMA-SNVBAGLBSA-N -1 1 349.217 4.404 20 30 EIEDMM N#Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2cccs2)cc1[O-] ZINC000442969119 1043933262 /nfs/dbraw/zinc/93/32/62/1043933262.db2.gz UAGIXWFKPQTEKZ-KRWDZBQOSA-N -1 1 348.427 4.039 20 30 EIEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000443416610 1044265993 /nfs/dbraw/zinc/26/59/93/1044265993.db2.gz JCJCTFVBPSNOEP-UHFFFAOYSA-N -1 1 346.839 4.131 20 30 EIEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(SC)cc1 ZINC000443418996 1044272572 /nfs/dbraw/zinc/27/25/72/1044272572.db2.gz PKCPABJJZPXBEK-UHFFFAOYSA-N -1 1 333.478 4.328 20 30 EIEDMM O=C([O-])c1ccccc1N=NC1CCCOc2ccc(Cl)cc21 ZINC000733744331 1044297093 /nfs/dbraw/zinc/29/70/93/1044297093.db2.gz GZLQTPQTYKKRHT-UHFFFAOYSA-N -1 1 330.771 4.027 20 30 EIEDMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000194862657 1044375089 /nfs/dbraw/zinc/37/50/89/1044375089.db2.gz OSKMREDJSCRCQM-UHFFFAOYSA-N -1 1 346.477 4.010 20 30 EIEDMM C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(F)ccc1[O-] ZINC000094125319 1044529394 /nfs/dbraw/zinc/52/93/94/1044529394.db2.gz UWEGDWNXUXSPGN-NSHDSACASA-N -1 1 330.384 4.035 20 30 EIEDMM O=C1c2ccc([O-])cc2C/C1=C/c1ccccc1OCc1cccnc1 ZINC000187224600 1045072943 /nfs/dbraw/zinc/07/29/43/1045072943.db2.gz BDLORERKTBELNB-ZDLGFXPLSA-N -1 1 343.382 4.189 20 30 EIEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1cccc(SC)c1 ZINC000509396320 1045093360 /nfs/dbraw/zinc/09/33/60/1045093360.db2.gz JTOLAQCUWKWTDF-UHFFFAOYSA-N -1 1 333.478 4.328 20 30 EIEDMM CCCCCOc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000026254481 1045480785 /nfs/dbraw/zinc/48/07/85/1045480785.db2.gz XCCVCDFTNPAIGC-UHFFFAOYSA-N -1 1 342.321 4.029 20 30 EIEDMM CC(=NNc1ccccc1C(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000915955628 1045840841 /nfs/dbraw/zinc/84/08/41/1045840841.db2.gz HPUFTFOQMFXCHI-UHFFFAOYSA-N -1 1 338.285 4.120 20 30 EIEDMM O=C(/C=C\c1cc(F)cc(C(F)(F)F)c1)c1cc(O)ccc1[O-] ZINC000772802491 1045932160 /nfs/dbraw/zinc/93/21/60/1045932160.db2.gz QHLFAQZTVODSES-IWQZZHSRSA-N -1 1 326.245 4.152 20 30 EIEDMM O=C1c2ccc([O-])cc2CC/C1=C/c1ncc(C(F)(F)F)s1 ZINC000788356149 1047171887 /nfs/dbraw/zinc/17/18/87/1047171887.db2.gz RLNHCLQFCJNVIF-TWGQIWQCSA-N -1 1 325.311 4.080 20 30 EIEDMM O=C([O-])c1cccc(C(=O)/C=C\c2cc(Cl)c(O)cc2Cl)c1 ZINC000806558369 1047303251 /nfs/dbraw/zinc/30/32/51/1047303251.db2.gz ATNWYCCOOUQTFP-PLNGDYQASA-N -1 1 337.158 4.293 20 30 EIEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1cnc(-c3ccco3)s1)O2 ZINC000789127058 1047374637 /nfs/dbraw/zinc/37/46/37/1047374637.db2.gz IBTCBCOWUCHBFX-AUWJEWJLSA-N -1 1 325.345 4.033 20 30 EIEDMM CC(C)CCCN=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000814829920 1048192054 /nfs/dbraw/zinc/19/20/54/1048192054.db2.gz OZBQXPWNJZXNEL-UHFFFAOYSA-N -1 1 345.468 4.321 20 30 EIEDMM CC(C)c1c(Cl)ncnc1N=NCc1cccc([O-])c1Cl ZINC000814922033 1048236833 /nfs/dbraw/zinc/23/68/33/1048236833.db2.gz QOIFQKMBYYUJOF-UHFFFAOYSA-N -1 1 325.199 4.058 20 30 EIEDMM [O-]c1cccc(C=NNCc2c(Cl)cccc2Cl)c1Cl ZINC000814938855 1048249082 /nfs/dbraw/zinc/24/90/82/1048249082.db2.gz WUZDRDCMFTVJLR-UHFFFAOYSA-N -1 1 329.614 4.476 20 30 EIEDMM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc([O-])c1F ZINC001146421113 1049023210 /nfs/dbraw/zinc/02/32/10/1049023210.db2.gz VTBPZIAPUIGJGQ-NSHDSACASA-N -1 1 330.384 4.178 20 30 EIEDMM Cc1noc([N-]C(=O)c2sc3cc(F)ccc3c2Cl)c1C#N ZINC001147980732 1049244253 /nfs/dbraw/zinc/24/42/53/1049244253.db2.gz XYJLWLFQTZPOBD-UHFFFAOYSA-N -1 1 335.747 4.114 20 30 EIEDMM C=CCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])cc1 ZINC001148464253 1049317692 /nfs/dbraw/zinc/31/76/92/1049317692.db2.gz XDWCQLCNLLDWBA-UHFFFAOYSA-N -1 1 337.297 4.228 20 30 EIEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(SCC#N)c2)n1 ZINC000080415003 1049583890 /nfs/dbraw/zinc/58/38/90/1049583890.db2.gz KAXWJOHXEBGMSZ-AWEZNQCLSA-N -1 1 341.461 4.372 20 30 EIEDMM C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000182060141 1050452832 /nfs/dbraw/zinc/45/28/32/1050452832.db2.gz YFNMIHLDHBHCTP-ZDUSSCGKSA-N -1 1 332.359 4.089 20 30 EIEDMM CCCCCCCCS(=O)(=O)[N-]c1cccc2c1C(=O)CCC2 ZINC001188018216 1050678935 /nfs/dbraw/zinc/67/89/35/1050678935.db2.gz ZOQKHOZBPNARMB-UHFFFAOYSA-N -1 1 337.485 4.308 20 30 EIEDMM COc1ccc(-c2cccc(C(=O)Nc3ccc(C#N)cc3[O-])c2)cc1 ZINC001190316511 1051147432 /nfs/dbraw/zinc/14/74/32/1051147432.db2.gz TWWJXYAGYSTTPM-UHFFFAOYSA-N -1 1 344.370 4.192 20 30 EIEDMM N#Cc1cc(OC(F)(F)F)ccc1Nc1c(F)cc([O-])cc1F ZINC001175102299 1051349513 /nfs/dbraw/zinc/34/95/13/1051349513.db2.gz HDSIHXODTDIEAY-UHFFFAOYSA-N -1 1 330.212 4.184 20 30 EIEDMM CCCCc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cc1 ZINC001191249110 1051411452 /nfs/dbraw/zinc/41/14/52/1051411452.db2.gz OCKNRPSAOKVSNB-UHFFFAOYSA-N -1 1 328.437 4.010 20 30 EIEDMM C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1[O-])c1ccc(C#N)cc1 ZINC001182797129 1051700051 /nfs/dbraw/zinc/70/00/51/1051700051.db2.gz DIFQPRQSFXOOTL-JTQLQIEISA-N -1 1 334.297 4.025 20 30 EIEDMM N#Cc1ccc(NC(=O)c2ccc(Oc3ccc(O)cc3)cc2)c([O-])c1 ZINC001192450939 1051737507 /nfs/dbraw/zinc/73/75/07/1051737507.db2.gz FUYKXHSALVSSMU-UHFFFAOYSA-N -1 1 346.342 4.014 20 30 EIEDMM CC(C)C1N=NC(=S)N1N=Cc1cc(Cl)c2ccccc2c1[O-] ZINC000774573121 1051796926 /nfs/dbraw/zinc/79/69/26/1051796926.db2.gz KQCLONQSYZJNHK-UHFFFAOYSA-N -1 1 346.843 4.085 20 30 EIEDMM O=C1c2ccc([O-])cc2CC/C1=C\c1cc(Cl)c2c(c1)OCCO2 ZINC000072079822 1051962210 /nfs/dbraw/zinc/96/22/10/1051962210.db2.gz QZDLKWCXRVXRKK-NTUHNPAUSA-N -1 1 342.778 4.029 20 30 EIEDMM CCCCCCCNC(=S)Nc1cccc([O-])c1Br ZINC001249645149 1052171299 /nfs/dbraw/zinc/17/12/99/1052171299.db2.gz QMKKSBCSTRYSIY-UHFFFAOYSA-N -1 1 345.306 4.412 20 30 EIEDMM C[C@@H](N[C@H](C)c1cccc(C#N)c1[O-])c1nc(C(F)(F)F)cs1 ZINC000866348981 1053699890 /nfs/dbraw/zinc/69/98/90/1053699890.db2.gz FJVRUYZMKBIUFF-RKDXNWHRSA-N -1 1 341.358 4.151 20 30 EIEDMM O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc([O-])cc1 ZINC000005771879 1055010624 /nfs/dbraw/zinc/01/06/24/1055010624.db2.gz RISIGRFLIRVMIY-PKNBQFBNSA-N -1 1 335.315 4.457 20 30 EIEDMM CCCc1c(C([O-])=C(C#N)c2nc3ccccc3o2)[nH]c(C)c1C(C)=O ZINC000054736735 1055658343 /nfs/dbraw/zinc/65/83/43/1055658343.db2.gz CRJWCMKJTULODV-AWEZNQCLSA-N -1 1 349.390 4.110 20 30 EIEDMM Cc1c(C(=O)Nc2n[n-]c(C(F)(F)F)n2)oc2c1c(C)ccc2C ZINC000057155106 1032095548 /nfs/dbraw/zinc/09/55/48/1032095548.db2.gz DLNSYNMJHZPFOW-UHFFFAOYSA-N -1 1 338.289 4.131 20 30 EIEDMM Cc1cscc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000175119274 1022250530 /nfs/dbraw/zinc/25/05/30/1022250530.db2.gz UXGUTJHALQKJLL-JTQLQIEISA-N -1 1 331.347 4.291 20 30 EIEDMM C=CCOc1cccc(NC(=O)c2cc(Cl)c([O-])c(OCC)c2)c1 ZINC000186689102 1022720993 /nfs/dbraw/zinc/72/09/93/1022720993.db2.gz PRIFXCIIMKSRBJ-UHFFFAOYSA-N -1 1 347.798 4.261 20 30 EIEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000589439055 1023146926 /nfs/dbraw/zinc/14/69/26/1023146926.db2.gz LGBZDQMVQVOAOC-UHFFFAOYSA-N -1 1 331.437 4.059 20 30 EIEDMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(Cl)o2)cc1 ZINC000128598586 1025217187 /nfs/dbraw/zinc/21/71/87/1025217187.db2.gz TZIWPYPHNOPEMV-CQSZACIVSA-N -1 1 344.798 4.237 20 30 EIEDMM O=C1c2ccc([O-])cc2CC/C1=C/c1cccc(Br)c1 ZINC000207933160 1026228743 /nfs/dbraw/zinc/22/87/43/1026228743.db2.gz WCZFHUHOUZFVFX-JYRVWZFOSA-N -1 1 329.193 4.367 20 30 EIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccnc(C)c3)n2)cc1 ZINC000342445601 1026304728 /nfs/dbraw/zinc/30/47/28/1026304728.db2.gz HUPVZJJGECOPCN-INIZCTEOSA-N -1 1 333.416 4.312 20 30 EIEDMM N#Cc1cccc(C2(c3nc(-c4ccc([O-])cc4Cl)no3)CC2)c1 ZINC000445448340 1028538787 /nfs/dbraw/zinc/53/87/87/1028538787.db2.gz KVBIATWKEIAERE-UHFFFAOYSA-N -1 1 337.766 4.047 20 30 EIEDMM C[C@@H](Oc1ccc(C#N)cc1)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445442620 1028564250 /nfs/dbraw/zinc/56/42/50/1028564250.db2.gz DFECBDQCAOADDX-SNVBAGLBSA-N -1 1 341.754 4.107 20 30 EIEDMM N#CCSc1cccc(-c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445444540 1028573834 /nfs/dbraw/zinc/57/38/34/1028573834.db2.gz GRQLAQCGVAZWOR-UHFFFAOYSA-N -1 1 343.795 4.378 20 30 EIEDMM CC(C)(C)c1cc(C#N)c([N-]C(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000297787154 1030595694 /nfs/dbraw/zinc/59/56/94/1030595694.db2.gz NSZYLRIQCLCYIB-UHFFFAOYSA-N -1 1 335.410 4.139 20 30 EIEDMM O=C(/C=C\c1ccc([O-])c(Br)c1)c1cc(F)cc(F)c1 ZINC000755704274 1030759437 /nfs/dbraw/zinc/75/94/37/1030759437.db2.gz JLTNMTGURASQEU-IWQZZHSRSA-N -1 1 339.135 4.329 20 30 EIEDMM N#CC(=C([O-])c1cccc(Br)c1)c1nc(C2CC2)cs1 ZINC000647374355 1030880287 /nfs/dbraw/zinc/88/02/87/1030880287.db2.gz AHWXJSZAQBLYRU-LBPRGKRZSA-N -1 1 347.237 4.273 20 30 EIEDMM N#CC(=C([O-])c1cccc([C@H]2CCOC2)c1)c1nc(C2CC2)cs1 ZINC000647378558 1030896896 /nfs/dbraw/zinc/89/68/96/1030896896.db2.gz FRDNGODRJPZFRB-HOTGVXAUSA-N -1 1 338.432 4.014 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H](Cc2ccccc2)c2cccs2)c1 ZINC000614298006 1033966017 /nfs/dbraw/zinc/96/60/17/1033966017.db2.gz WQEODLKXEZNKNC-SFHVURJKSA-N -1 1 348.427 4.039 20 30 EIEDMM Cc1c(CSC(C)C)cccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614299904 1033970201 /nfs/dbraw/zinc/97/02/01/1033970201.db2.gz HMYMCTPCXPKSEF-UHFFFAOYSA-N -1 1 340.448 4.466 20 30 EIEDMM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2cc([O-])cc(C#N)c2)o1 ZINC000614300875 1033973734 /nfs/dbraw/zinc/97/37/34/1033973734.db2.gz XWZWXMRTTBNTDY-SCLBCKFNSA-N -1 1 338.407 4.033 20 30 EIEDMM COc1ccc2occ(C([O-])=C(C#N)c3ccc4ccccc4n3)c2c1 ZINC000669600161 1036111749 /nfs/dbraw/zinc/11/17/49/1036111749.db2.gz TXPQZFTWJJBCSQ-MRXNPFEDSA-N -1 1 342.354 4.480 20 30 EIEDMM N#Cc1cccc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)c1 ZINC000603573324 1036887698 /nfs/dbraw/zinc/88/76/98/1036887698.db2.gz GODLXAJIIANVGR-UHFFFAOYSA-N -1 1 348.383 4.258 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)N2CC3(CCCC3)[C@H]2c2ccccc2)c1 ZINC000590894673 1037206621 /nfs/dbraw/zinc/20/66/21/1037206621.db2.gz JWTZLOJYVSZTQS-LJQANCHMSA-N -1 1 332.403 4.021 20 30 EIEDMM COc1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)ccc1C ZINC000592974290 1037882754 /nfs/dbraw/zinc/88/27/54/1037882754.db2.gz RTQOHMGNWNGBQS-CYBMUJFWSA-N -1 1 340.379 4.243 20 30 EIEDMM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000152705435 1039870858 /nfs/dbraw/zinc/87/08/58/1039870858.db2.gz PMRMLZCNMDZKOQ-UHFFFAOYSA-N -1 1 348.855 4.444 20 30 EIEDMM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442960107 1040453066 /nfs/dbraw/zinc/45/30/66/1040453066.db2.gz BDUKVIRBJCYERF-SFHVURJKSA-N -1 1 342.826 4.387 20 30 EIEDMM CC(C)(C)c1ccccc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000483207755 1040768283 /nfs/dbraw/zinc/76/82/83/1040768283.db2.gz VYOABHWGDPLLJB-HNNXBMFYSA-N -1 1 329.403 4.417 20 30 EIEDMM C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc2ccccc2cc1[O-] ZINC000436536068 1041330313 /nfs/dbraw/zinc/33/03/13/1041330313.db2.gz CLCIHYLENCAXGO-UHFFFAOYSA-N -1 1 342.398 4.245 20 30 EIEDMM C=CCN(C(=O)c1ccc(CC)cc1[O-])c1nc2c(s1)CCCC2 ZINC000436834881 1041497885 /nfs/dbraw/zinc/49/78/85/1041497885.db2.gz RUAWGPSZTAGTKZ-UHFFFAOYSA-N -1 1 342.464 4.123 20 30 EIEDMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c1 ZINC000460440946 1041928842 /nfs/dbraw/zinc/92/88/42/1041928842.db2.gz RCGWEFXZZZHVQI-UHFFFAOYSA-N -1 1 334.828 4.136 20 30 EIEDMM N#CCc1ccccc1[N-]S(=O)(=O)c1cccc(-c2ccccc2)c1 ZINC000507939512 1043197263 /nfs/dbraw/zinc/19/72/63/1043197263.db2.gz QVIBEHWOFNXECO-UHFFFAOYSA-N -1 1 348.427 4.220 20 30 EIEDMM CC(=NNc1ccc(OCC(F)(F)F)cc1)c1ccc(F)cc1[O-] ZINC000727779235 1043287511 /nfs/dbraw/zinc/28/75/11/1043287511.db2.gz SSRAUMCHALVKDT-UHFFFAOYSA-N -1 1 342.292 4.309 20 30 EIEDMM N#Cc1cc(F)ccc1COC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730358469 1043504116 /nfs/dbraw/zinc/50/41/16/1043504116.db2.gz BPAJASUWDZTLEQ-UHFFFAOYSA-N -1 1 340.137 4.067 20 30 EIEDMM CC(N=Nc1ccc(C(=O)[O-])cc1)c1ccccc1OC(F)(F)F ZINC000730945582 1043654588 /nfs/dbraw/zinc/65/45/88/1043654588.db2.gz MZQAJAZMXIICGD-UHFFFAOYSA-N -1 1 338.285 4.120 20 30 EIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000191568558 1043827647 /nfs/dbraw/zinc/82/76/47/1043827647.db2.gz XRJQEADVQANRBA-UHFFFAOYSA-N -1 1 345.464 4.348 20 30 EIEDMM C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(F)ccc1[O-] ZINC000094125318 1044528034 /nfs/dbraw/zinc/52/80/34/1044528034.db2.gz UWEGDWNXUXSPGN-LLVKDONJSA-N -1 1 330.384 4.035 20 30 EIEDMM CC(F)(F)CC(=O)[N-][C@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000429095242 1045145679 /nfs/dbraw/zinc/14/56/79/1045145679.db2.gz MPZFFGKSIVGULK-SNVBAGLBSA-N -1 1 349.221 4.470 20 30 EIEDMM N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000915180702 1045164400 /nfs/dbraw/zinc/16/44/00/1045164400.db2.gz REDVRHLVKLXCTK-LJQANCHMSA-N -1 1 344.370 4.006 20 30 EIEDMM CC(N=Nc1ccc(C(F)(F)F)cn1)c1ccc([O-])c(Cl)c1 ZINC000768764497 1045834518 /nfs/dbraw/zinc/83/45/18/1045834518.db2.gz VUZSJEIJLFYQQX-UHFFFAOYSA-N -1 1 329.709 4.296 20 30 EIEDMM CCOc1cc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1[O-] ZINC000916136312 1045927857 /nfs/dbraw/zinc/92/78/57/1045927857.db2.gz FNVRSEWWCKEUQY-SREVYHEPSA-N -1 1 347.754 4.249 20 30 EIEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1cc2c(ccc3ccccc23)o1 ZINC000916241614 1045969000 /nfs/dbraw/zinc/96/90/00/1045969000.db2.gz MNKJCAPXVNUIBL-UHFFFAOYSA-N -1 1 332.363 4.226 20 30 EIEDMM Cc1cc(NC(=O)c2cc([O-])cc(C#N)c2)ccc1-c1ccccc1 ZINC000792835221 1046076538 /nfs/dbraw/zinc/07/65/38/1046076538.db2.gz GDYZUSIPYKHIMU-UHFFFAOYSA-N -1 1 328.371 4.492 20 30 EIEDMM CC[C@@H]1CCC1N=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000807967936 1047550491 /nfs/dbraw/zinc/55/04/91/1047550491.db2.gz FICXPQRLJXIICL-CQSZACIVSA-N -1 1 343.452 4.075 20 30 EIEDMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2)cc1 ZINC000033619600 1047646405 /nfs/dbraw/zinc/64/64/05/1047646405.db2.gz LUEOARIOHRFQSG-UHFFFAOYSA-N -1 1 328.437 4.047 20 30 EIEDMM CCCCCCCCc1nnc([N-]C(=O)c2ccc(C#N)o2)s1 ZINC000814346599 1047997600 /nfs/dbraw/zinc/99/76/00/1047997600.db2.gz FCIUCAFAOZUNGZ-UHFFFAOYSA-N -1 1 332.429 4.158 20 30 EIEDMM O=C([O-])c1cccc(C=NNc2ncc(Cl)cc2Cl)c1Cl ZINC000814740305 1048154371 /nfs/dbraw/zinc/15/43/71/1048154371.db2.gz KXFNVIFKVDLEFC-UHFFFAOYSA-N -1 1 344.585 4.186 20 30 EIEDMM O=[N+]([O-])c1cc(Cl)ccc1NN=Cc1cccc([O-])c1Cl ZINC000814809887 1048179381 /nfs/dbraw/zinc/17/93/81/1048179381.db2.gz QLDGHHOZHYYNOQ-UHFFFAOYSA-N -1 1 326.139 4.053 20 30 EIEDMM O=[N+]([O-])c1cc(Cl)ccc1N=NCc1cccc([O-])c1Cl ZINC000814809887 1048179388 /nfs/dbraw/zinc/17/93/88/1048179388.db2.gz QLDGHHOZHYYNOQ-UHFFFAOYSA-N -1 1 326.139 4.053 20 30 EIEDMM [O-]c1ccc(C=NNCc2ccc(C(F)(F)F)cc2)cc1Cl ZINC000921257973 1048894824 /nfs/dbraw/zinc/89/48/24/1048894824.db2.gz CNWHXUTWXKHOSA-UHFFFAOYSA-N -1 1 328.721 4.188 20 30 EIEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C\c2cccc(-c3ccccn3)c2)c1 ZINC000747693086 1049020088 /nfs/dbraw/zinc/02/00/88/1049020088.db2.gz MCYCMVRMYKKJHE-CLFYSBASSA-N -1 1 345.354 4.049 20 30 EIEDMM N#CC1(Nc2cc(F)ccc2[S-])CCN(Cc2ccccc2)CC1 ZINC001171276972 1049024235 /nfs/dbraw/zinc/02/42/35/1049024235.db2.gz HCPADLUDDZWFKI-UHFFFAOYSA-N -1 1 341.455 4.085 20 30 EIEDMM N#Cc1ccc(NC(=O)NC2c3ccccc3-c3ccccc32)c([O-])c1 ZINC001190041558 1051107605 /nfs/dbraw/zinc/10/76/05/1051107605.db2.gz DJHMFUKHFMDTRD-UHFFFAOYSA-N -1 1 341.370 4.155 20 30 EIEDMM N#Cc1cc(Nc2c(F)cc([O-])cc2F)ccc1Br ZINC001175097103 1051380442 /nfs/dbraw/zinc/38/04/42/1051380442.db2.gz PNTWYWNTNAOBNA-UHFFFAOYSA-N -1 1 325.112 4.048 20 30 EIEDMM N#Cc1ccc(NC(=O)Nc2cc(F)cc(C(F)(F)F)c2)c([O-])c1 ZINC001191586015 1051481596 /nfs/dbraw/zinc/48/15/96/1051481596.db2.gz LAXLSYBDSHFLER-UHFFFAOYSA-N -1 1 339.248 4.066 20 30 EIEDMM N#CCS(=O)(=O)[N-]c1ccc(-c2ccc(-c3ccccc3)cc2)cc1 ZINC001192982817 1051841408 /nfs/dbraw/zinc/84/14/08/1051841408.db2.gz ZBWPBDXJGIIXQK-UHFFFAOYSA-N -1 1 348.427 4.286 20 30 EIEDMM Cc1cc(S(=O)(=O)[N-]c2ccc([C@H](C)C#N)cc2)ccc1Cl ZINC001185524852 1052255560 /nfs/dbraw/zinc/25/55/60/1052255560.db2.gz NWGPZGWXQGMRQU-GFCCVEGCSA-N -1 1 334.828 4.076 20 30 EIEDMM COc1ccc(C(=O)/C=C/c2ccc([O-])c(Cl)c2)c(C)c1OC ZINC000794737621 1053356534 /nfs/dbraw/zinc/35/65/34/1053356534.db2.gz DIDHZQTUYWUDRD-QPJJXVBHSA-N -1 1 332.783 4.267 20 30 EIEDMM COc1cc(C(=O)/C=C/c2ccc([O-])c(F)c2)ccc1OC(F)F ZINC000120844254 1053628689 /nfs/dbraw/zinc/62/86/89/1053628689.db2.gz RZDMVHBIEJTXJG-GORDUTHDSA-N -1 1 338.281 4.037 20 30 EIEDMM C#Cc1cccc(N(CC)C(=O)c2ccc(C(F)(F)F)cc2[O-])c1 ZINC000776707583 1053753242 /nfs/dbraw/zinc/75/32/42/1053753242.db2.gz XESSWFKKRARLSI-UHFFFAOYSA-N -1 1 333.309 4.059 20 30 EIEDMM Cc1cc(Br)oc1C(=O)[N-]c1c(C#N)oc2ccccc21 ZINC001197318582 1053874252 /nfs/dbraw/zinc/87/42/52/1053874252.db2.gz NGOKJJJODOPJCH-UHFFFAOYSA-N -1 1 345.152 4.221 20 30 EIEDMM O=C(/C=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc([O-])cc1 ZINC000208141674 1054087720 /nfs/dbraw/zinc/08/77/20/1054087720.db2.gz RISIGRFLIRVMIY-LUAWRHEFSA-N -1 1 335.315 4.457 20 30 EIEDMM N#Cc1cccc([O-])c1NC(=S)Nc1cccc(Cl)c1Cl ZINC001201015370 1054606786 /nfs/dbraw/zinc/60/67/86/1054606786.db2.gz AQNTYLMCMZJQRV-UHFFFAOYSA-N -1 1 338.219 4.380 20 30 EIEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccc(C(F)(F)F)s1 ZINC000671745311 1054901951 /nfs/dbraw/zinc/90/19/51/1054901951.db2.gz MDXBUXWARCZNES-SECBINFHSA-N -1 1 349.337 4.144 20 30 EIEDMM Cc1ccccc1S(=O)(=O)[N-]c1ccccc1SC[C@H](C)C#N ZINC000108252030 1055998817 /nfs/dbraw/zinc/99/88/17/1055998817.db2.gz BQXRCAZJWFBYQL-CYBMUJFWSA-N -1 1 346.477 4.048 20 30 EIEDMM COc1ccc(/C=C\C(=O)c2ccc([O-])cc2)cc1OCC(C)C ZINC000213892589 1056169675 /nfs/dbraw/zinc/16/96/75/1056169675.db2.gz YVSVXKKQLHPFQA-WMZJFQQLSA-N -1 1 326.392 4.332 20 30 EIEDMM CCCOc1c(/C=C\C(=O)c2ccc([O-])cc2)cccc1OCC ZINC000213892652 1056170484 /nfs/dbraw/zinc/17/04/84/1056170484.db2.gz YOWWLPROCYIYDL-RAXLEYEMSA-N -1 1 326.392 4.476 20 30 EIEDMM [O-]/N=C/c1cc(N[C@H]2CCCc3cccnc32)cc(C(F)(F)F)c1 ZINC001168662637 1056447733 /nfs/dbraw/zinc/44/77/33/1056447733.db2.gz YLVKXKDVFCDEEI-GTQIFZCBSA-N -1 1 335.329 4.398 20 30 EIEDMM COc1cc(/C=C2\Oc3cc([O-])cc(C)c3C2=O)ccc1SC ZINC000746342485 1060216555 /nfs/dbraw/zinc/21/65/55/1060216555.db2.gz WAADKFDTWBZADW-NVNXTCNLSA-N -1 1 328.389 4.047 20 30 EIEDMM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529538694 1032429598 /nfs/dbraw/zinc/42/95/98/1032429598.db2.gz JTVXPWPMZHQLQS-CXAGYDPISA-N -1 1 331.799 4.119 20 30 EIEDMM C[C@@H]1C[C@H](C)Cc2c(C#N)c([N-]C(=O)c3c(F)ccnc3F)sc21 ZINC000891171959 1021450028 /nfs/dbraw/zinc/45/00/28/1021450028.db2.gz FNGDLCQKTSOKIM-DTWKUNHWSA-N -1 1 347.390 4.231 20 30 EIEDMM CC(C)c1csc(C(C#N)=C([O-])c2c(Cl)nc3ccccn32)n1 ZINC000177763085 1021664198 /nfs/dbraw/zinc/66/41/98/1021664198.db2.gz MEVHQMTULZHRNL-JTQLQIEISA-N -1 1 344.827 4.058 20 30 EIEDMM N#Cc1ccc(Oc2ccc(NC(=O)c3ccc([O-])c(F)c3)cc2)cc1 ZINC000613450185 1022041939 /nfs/dbraw/zinc/04/19/39/1022041939.db2.gz SFCMVITZOYRBQY-UHFFFAOYSA-N -1 1 348.333 4.448 20 30 EIEDMM C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc([O-])c(F)c1 ZINC000613504997 1022203380 /nfs/dbraw/zinc/20/33/80/1022203380.db2.gz QMTGCKQMIGOVRM-LLVKDONJSA-N -1 1 330.384 4.178 20 30 EIEDMM Cc1ccccc1S(=O)(=O)[N-]c1ccccc1S[C@H](C)CC#N ZINC000108985357 1023092654 /nfs/dbraw/zinc/09/26/54/1023092654.db2.gz VVAGMJUUBVAANO-CQSZACIVSA-N -1 1 346.477 4.190 20 30 EIEDMM N#Cc1cc(Cl)ccc1NCc1cccc(Br)c1[O-] ZINC000695727690 1023190374 /nfs/dbraw/zinc/19/03/74/1023190374.db2.gz AFDXLFCSBQXAIZ-UHFFFAOYSA-N -1 1 337.604 4.292 20 30 EIEDMM CCOc1cc(/C=C/C(=O)c2ccccc2C#N)cc(Cl)c1[O-] ZINC000194587334 1023774005 /nfs/dbraw/zinc/77/40/05/1023774005.db2.gz DAJYJIPVUHFEEK-BQYQJAHWSA-N -1 1 327.767 4.212 20 30 EIEDMM CCOc1cc(/C=C\C(=O)c2ccc(C#N)s2)cc(Cl)c1[O-] ZINC000255378794 1023855630 /nfs/dbraw/zinc/85/56/30/1023855630.db2.gz PAAMXCBHFNAWEO-HYXAFXHYSA-N -1 1 333.796 4.274 20 30 EIEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc(C#N)c(Cl)c2)n1 ZINC000125189359 1024198464 /nfs/dbraw/zinc/19/84/64/1024198464.db2.gz CNMLAKQZKZTHCW-LBPRGKRZSA-N -1 1 329.812 4.282 20 30 EIEDMM O=C([N-]c1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1cncs1 ZINC000328984565 1024321435 /nfs/dbraw/zinc/32/14/35/1024321435.db2.gz ZGTLNBPHEBBOPI-UHFFFAOYSA-N -1 1 346.481 4.099 20 30 EIEDMM O=C1c2ccc([O-])cc2O/C1=C/c1csc(-c2cccs2)n1 ZINC000728441103 1025529125 /nfs/dbraw/zinc/52/91/25/1025529125.db2.gz ZYGCBSKCTKOYTL-AWNIVKPZSA-N -1 1 327.386 4.193 20 30 EIEDMM COc1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)ccc1F ZINC000430621606 1027118647 /nfs/dbraw/zinc/11/86/47/1027118647.db2.gz DSDFTKKODANIOR-NSHDSACASA-N -1 1 332.400 4.078 20 30 EIEDMM N#Cc1cc(Br)ccc1Nc1cc(F)c([O-])c(F)c1 ZINC001213379235 1028211037 /nfs/dbraw/zinc/21/10/37/1028211037.db2.gz HRHJEUNSCCFNLT-UHFFFAOYSA-N -1 1 325.112 4.048 20 30 EIEDMM Cc1sc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)c(C#N)c1C ZINC000448097794 1030582005 /nfs/dbraw/zinc/58/20/05/1030582005.db2.gz KDBSEOATLWPEBV-UHFFFAOYSA-N -1 1 348.387 4.016 20 30 EIEDMM Cc1ccc(N(CCC#N)C(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000179484232 1031083261 /nfs/dbraw/zinc/08/32/61/1031083261.db2.gz AXXRYIBWESUJRS-UHFFFAOYSA-N -1 1 330.387 4.414 20 30 EIEDMM Cc1ccc2c(CC(=O)Nc3n[n-]c(C(F)(F)F)n3)coc2c1C ZINC000026255231 1031336551 /nfs/dbraw/zinc/33/65/51/1031336551.db2.gz VHWGRPIXNVMBFP-UHFFFAOYSA-N -1 1 338.289 4.017 20 30 EIEDMM N#CC(=C([O-])c1ccc(Cl)cc1)c1nc(-c2ccncc2)cs1 ZINC000128837037 1031763287 /nfs/dbraw/zinc/76/32/87/1031763287.db2.gz AERMXDONFIEBDF-AWEZNQCLSA-N -1 1 339.807 4.349 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccccc2CCC(F)(F)F)c1 ZINC000614375160 1034490943 /nfs/dbraw/zinc/49/09/43/1034490943.db2.gz FWXLUUAVBIOGTG-UHFFFAOYSA-N -1 1 334.297 4.011 20 30 EIEDMM C[C@@H]1CCCC1N=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000729145199 1034726957 /nfs/dbraw/zinc/72/69/57/1034726957.db2.gz JZJXKRUQLFATNE-CQSZACIVSA-N -1 1 343.452 4.075 20 30 EIEDMM COc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1Cl ZINC000345573996 1035258014 /nfs/dbraw/zinc/25/80/14/1035258014.db2.gz WBQRQKWDEPGWKG-LLVKDONJSA-N -1 1 334.828 4.419 20 30 EIEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000597782285 1036348910 /nfs/dbraw/zinc/34/89/10/1036348910.db2.gz VQXYDSMVNBQMHS-UXHICEINSA-N -1 1 334.419 4.062 20 30 EIEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc(-c3cnco3)cc2)n1 ZINC000080453049 1036426359 /nfs/dbraw/zinc/42/63/59/1036426359.db2.gz OGTZFIMITRYAJT-CQSZACIVSA-N -1 1 337.404 4.412 20 30 EIEDMM Cc1sc([N-]C(=O)c2cc(-c3cccc(F)c3)no2)c(C#N)c1C ZINC000603615245 1036898866 /nfs/dbraw/zinc/89/88/66/1036898866.db2.gz GWURLBXGCKNVMM-UHFFFAOYSA-N -1 1 341.367 4.283 20 30 EIEDMM C#CCC1(C(=O)Nc2cccc([O-])c2Br)CCCCC1 ZINC000908710913 1036921948 /nfs/dbraw/zinc/92/19/48/1036921948.db2.gz WVYDMYRGPWFKHN-UHFFFAOYSA-N -1 1 336.229 4.067 20 30 EIEDMM Cc1c2cc(C#N)ccc2sc1C(=O)Nc1c([O-])cccc1F ZINC000590317791 1037047173 /nfs/dbraw/zinc/04/71/73/1037047173.db2.gz IOIADZZMDLIGJI-UHFFFAOYSA-N -1 1 326.352 4.178 20 30 EIEDMM COc1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)ccc1C ZINC000592974291 1037882065 /nfs/dbraw/zinc/88/20/65/1037882065.db2.gz RTQOHMGNWNGBQS-ZDUSSCGKSA-N -1 1 340.379 4.243 20 30 EIEDMM N#Cc1ccc(C(F)(F)F)nc1-c1ccc([O-])cc1C(F)(F)F ZINC001205066539 1037892247 /nfs/dbraw/zinc/89/22/47/1037892247.db2.gz QLNRXQVMQQXXBU-UHFFFAOYSA-N -1 1 332.203 4.363 20 30 EIEDMM N#Cc1ccc(C(=O)N[C@H](Cc2ccccc2)c2cccs2)cc1[O-] ZINC000442969121 1040451126 /nfs/dbraw/zinc/45/11/26/1040451126.db2.gz UAGIXWFKPQTEKZ-QGZVFWFLSA-N -1 1 348.427 4.039 20 30 EIEDMM C=CCOc1ccccc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436868424 1041527044 /nfs/dbraw/zinc/52/70/44/1041527044.db2.gz JBYXBOKXTWADKN-UHFFFAOYSA-N -1 1 328.755 4.327 20 30 EIEDMM C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc([O-])cc1F ZINC000436879097 1041538120 /nfs/dbraw/zinc/53/81/20/1041538120.db2.gz IUWMMSYCDZTHLP-UHFFFAOYSA-N -1 1 325.792 4.075 20 30 EIEDMM N#CCCC[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccccc1 ZINC000436924086 1041561000 /nfs/dbraw/zinc/56/10/00/1041561000.db2.gz FCBKYKANMKJVHK-MRXNPFEDSA-N -1 1 328.799 4.211 20 30 EIEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cccs3)c2)cc1 ZINC000509579800 1042387465 /nfs/dbraw/zinc/38/74/65/1042387465.db2.gz WPYFZMDYFWEXCO-UHFFFAOYSA-N -1 1 340.429 4.088 20 30 EIEDMM N#Cc1cccc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)c1 ZINC000506591485 1042660242 /nfs/dbraw/zinc/66/02/42/1042660242.db2.gz BSJBAECHPJIBRZ-UHFFFAOYSA-N -1 1 334.400 4.026 20 30 EIEDMM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442875031 1043872773 /nfs/dbraw/zinc/87/27/73/1043872773.db2.gz VEANIWZGIWKWKT-LLVKDONJSA-N -1 1 348.324 4.116 20 30 EIEDMM N#CC(=C([O-])c1ccc2[nH]cnc2c1)c1nc(-c2ccccc2)cs1 ZINC000915102223 1045097036 /nfs/dbraw/zinc/09/70/36/1045097036.db2.gz PKGYEZGKRPXKGS-AWEZNQCLSA-N -1 1 344.399 4.176 20 30 EIEDMM CCC(N=Nc1ccc(Cl)c(C(=O)[O-])c1)c1cccc(OC)c1 ZINC000740760596 1045212275 /nfs/dbraw/zinc/21/22/75/1045212275.db2.gz YFEKNPVLCUIKBW-UHFFFAOYSA-N -1 1 332.787 4.273 20 30 EIEDMM Cc1nn(-c2ccccc2)c(C)c1C(C)N=Nc1ccccc1C(=O)[O-] ZINC000746489066 1045638372 /nfs/dbraw/zinc/63/83/72/1045638372.db2.gz RCTULOOFQNITMW-UHFFFAOYSA-N -1 1 348.406 4.023 20 30 EIEDMM N#C[C@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1)C1CCCCC1 ZINC000768187899 1045747323 /nfs/dbraw/zinc/74/73/23/1045747323.db2.gz YJQBZLDQVPJWBH-AWEZNQCLSA-N -1 1 326.774 4.020 20 30 EIEDMM N#Cc1cc(OC(F)(F)F)ccc1Nc1ccc([O-])c(F)c1F ZINC001212016393 1045839262 /nfs/dbraw/zinc/83/92/62/1045839262.db2.gz NVSRGAAEKKJDCC-UHFFFAOYSA-N -1 1 330.212 4.184 20 30 EIEDMM [O-]c1ccc(C=NNc2cccc3ncccc32)cc1Br ZINC000915964705 1045858117 /nfs/dbraw/zinc/85/81/17/1045858117.db2.gz JWUWBCNILHEHEB-UHFFFAOYSA-N -1 1 342.196 4.149 20 30 EIEDMM O=C([O-])c1cc(NN=Cc2ccc(N3CCCCC3)o2)ccc1Cl ZINC000917574031 1047003282 /nfs/dbraw/zinc/00/32/82/1047003282.db2.gz AYNFFRBRFNTIAF-UHFFFAOYSA-N -1 1 347.802 4.068 20 30 EIEDMM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1nc(Cl)cs1 ZINC000789939125 1047491595 /nfs/dbraw/zinc/49/15/95/1047491595.db2.gz XUVMKCKWDYHPBR-VIFPVBQESA-N -1 1 337.857 4.301 20 30 EIEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cc(C)c1F ZINC000460414817 1047772628 /nfs/dbraw/zinc/77/26/28/1047772628.db2.gz XTBMYOZWKNZVNY-UHFFFAOYSA-N -1 1 346.427 4.045 20 30 EIEDMM N#Cc1cc(NCc2cccc([O-])c2Cl)ccc1OC(F)(F)F ZINC000815139521 1048363455 /nfs/dbraw/zinc/36/34/55/1048363455.db2.gz IUOPFGBFLLGFLA-UHFFFAOYSA-N -1 1 342.704 4.428 20 30 EIEDMM O=C1c2ccc([O-])cc2O/C1=C/c1csc(-c2ccsc2)n1 ZINC000920066135 1048411969 /nfs/dbraw/zinc/41/19/69/1048411969.db2.gz RQTPICMRZPVPKK-LHHJGKSTSA-N -1 1 327.386 4.193 20 30 EIEDMM CCC(=NNc1cnnc([O-])c1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000811636815 1049183875 /nfs/dbraw/zinc/18/38/75/1049183875.db2.gz ONXPUZJBDKJFOA-UHFFFAOYSA-N -1 1 334.851 4.230 20 30 EIEDMM N#Cc1c([O-])csc1NC(=O)Nc1cc(Cl)ccc1Cl ZINC001188968599 1050875752 /nfs/dbraw/zinc/87/57/52/1050875752.db2.gz NFHTWORKIDXMLN-UHFFFAOYSA-N -1 1 328.180 4.276 20 30 EIEDMM N#Cc1cc(Br)ccc1Nc1c(F)ccc([O-])c1F ZINC001175264283 1051500447 /nfs/dbraw/zinc/50/04/47/1051500447.db2.gz FRSCONNHHTUXBU-UHFFFAOYSA-N -1 1 325.112 4.048 20 30 EIEDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)c2ccccc12 ZINC001193864818 1052019570 /nfs/dbraw/zinc/01/95/70/1052019570.db2.gz ULAZQFNPONAPNJ-UHFFFAOYSA-N -1 1 336.416 4.015 20 30 EIEDMM Cc1nc(-c2ccc(C)cc2)c(C(=O)Nc2ccc(C#N)cc2[O-])s1 ZINC001193894223 1052023612 /nfs/dbraw/zinc/02/36/12/1052023612.db2.gz XOLUJTOZAICLNW-UHFFFAOYSA-N -1 1 349.415 4.257 20 30 EIEDMM N#Cc1sccc1NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196309065 1053627976 /nfs/dbraw/zinc/62/79/76/1053627976.db2.gz KRTZWKBMRNBZCN-UHFFFAOYSA-N -1 1 345.383 4.116 20 30 EIEDMM COc1cc(N[C@@H](C)c2cccc(C#N)c2[O-])ccc1OC(C)C ZINC000866339885 1053695093 /nfs/dbraw/zinc/69/50/93/1053695093.db2.gz FNWFMOUTNGOSTN-ZDUSSCGKSA-N -1 1 326.396 4.233 20 30 EIEDMM N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1cccc(Cl)c1[O-] ZINC000775735741 1053726483 /nfs/dbraw/zinc/72/64/83/1053726483.db2.gz TVHDPMKPECIURF-FUHWJXTLSA-N -1 1 326.827 4.317 20 30 EIEDMM N#CCCCOc1cccc(NCc2cc(Cl)cc(F)c2[O-])c1 ZINC000775747722 1053806077 /nfs/dbraw/zinc/80/60/77/1053806077.db2.gz ONOCZTHSYCPNEF-UHFFFAOYSA-N -1 1 334.778 4.479 20 30 EIEDMM Cc1nccn1-c1ccc(C(=O)/C=C\c2ccc([O-])c(Cl)c2)cc1 ZINC000255106662 1020952855 /nfs/dbraw/zinc/95/28/55/1020952855.db2.gz PRLORSGAQGKFSK-WAPJZHGLSA-N -1 1 338.794 4.436 20 30 EIEDMM C=C1C[C@H]2CC[C@@H](C1)N2Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000659801256 1023285204 /nfs/dbraw/zinc/28/52/04/1023285204.db2.gz CODLVENJADDTPX-CALCHBBNSA-N -1 1 340.448 4.191 20 30 EIEDMM CC(C)COc1ncccc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000093243607 1024026848 /nfs/dbraw/zinc/02/68/48/1024026848.db2.gz XPZSWQAXSRPKCD-KRWDZBQOSA-N -1 1 345.402 4.155 20 30 EIEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000431176306 1024787500 /nfs/dbraw/zinc/78/75/00/1024787500.db2.gz CGFYCPCZTIMXMR-UHFFFAOYSA-N -1 1 348.427 4.335 20 30 EIEDMM C=CC[C@@H](NCc1ccc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)[O-] ZINC000277180805 1025264722 /nfs/dbraw/zinc/26/47/22/1025264722.db2.gz FFKWIWDZDJHQSP-QGZVFWFLSA-N -1 1 327.424 4.363 20 30 EIEDMM COc1cc(/C=C/C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(Cl)c1[O-] ZINC000005129865 1025335990 /nfs/dbraw/zinc/33/59/90/1025335990.db2.gz NBELNZLNKHCZQN-GQCTYLIASA-N -1 1 347.754 4.167 20 30 EIEDMM CC(=NNc1ccc(Br)cc1F)c1ccc(F)cc1[O-] ZINC000728431942 1025382873 /nfs/dbraw/zinc/38/28/73/1025382873.db2.gz DWZNOHJWPAORON-UHFFFAOYSA-N -1 1 341.155 4.269 20 30 EIEDMM COc1ccsc1C(=O)/C=C\c1ccc([O-])c(Br)c1 ZINC000588489132 1025568467 /nfs/dbraw/zinc/56/84/67/1025568467.db2.gz XEKXUJMGDOULTH-HYXAFXHYSA-N -1 1 339.210 4.121 20 30 EIEDMM N#Cc1ccc(Cl)cc1NCc1cccc(Br)c1[O-] ZINC000048795956 1026421731 /nfs/dbraw/zinc/42/17/31/1026421731.db2.gz YBOXWLOJNTXMAA-UHFFFAOYSA-N -1 1 337.604 4.292 20 30 EIEDMM C=CC[C@H](NCc1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)[O-] ZINC000426837482 1026588462 /nfs/dbraw/zinc/58/84/62/1026588462.db2.gz YDKAKJSLFUINJO-AWEZNQCLSA-N -1 1 339.313 4.084 20 30 EIEDMM C=CCN(Cc1ccccc1F)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000153635102 1027804634 /nfs/dbraw/zinc/80/46/34/1027804634.db2.gz OEZOKVABFJWGGK-UHFFFAOYSA-N -1 1 349.789 4.022 20 30 EIEDMM COc1cc(C(=O)NCC2CCC(F)(F)CC2)cc(Cl)c1[O-] ZINC000330409033 1027852405 /nfs/dbraw/zinc/85/24/05/1027852405.db2.gz SDVVIKYQZXRXMB-UHFFFAOYSA-N -1 1 333.762 4.184 20 30 EIEDMM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1ncc(F)cc1F ZINC000192294247 1027928758 /nfs/dbraw/zinc/92/87/58/1027928758.db2.gz FNCOGWNMKXZSNB-SNVBAGLBSA-N -1 1 333.363 4.006 20 30 EIEDMM CCOc1ccc(C(=O)/C=C/c2ccc([O-])c(Br)c2)cc1 ZINC000023164503 1027956927 /nfs/dbraw/zinc/95/69/27/1027956927.db2.gz OJPQTYPFYKXBOB-YCRREMRBSA-N -1 1 347.208 4.450 20 30 EIEDMM N#CCCCn1cc(C(=O)Nc2ccc(F)cc2[O-])c2ccccc21 ZINC000444326453 1029328577 /nfs/dbraw/zinc/32/85/77/1029328577.db2.gz COAHQTZPHFQGIC-UHFFFAOYSA-N -1 1 337.354 4.042 20 30 EIEDMM CC(C)CCc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000526005244 1030181957 /nfs/dbraw/zinc/18/19/57/1030181957.db2.gz OUDVIGMREGXDQD-UHFFFAOYSA-N -1 1 342.464 4.142 20 30 EIEDMM N#Cc1ccc(Oc2cccc(C(=O)Nc3ccc(F)cc3[O-])c2)cc1 ZINC000532621095 1031430203 /nfs/dbraw/zinc/43/02/03/1031430203.db2.gz WGMSOZKXIULFTI-UHFFFAOYSA-N -1 1 348.333 4.448 20 30 EIEDMM Cc1csc(C(C#N)=C([O-])c2ccccc2-c2ccccc2C#N)n1 ZINC000041516894 1031499999 /nfs/dbraw/zinc/49/99/99/1031499999.db2.gz UBIHJKULHNYAHH-SFHVURJKSA-N -1 1 343.411 4.480 20 30 EIEDMM CC(C)Cn1ccc2cc(NC(=O)c3cc([O-])cc(C#N)c3)ccc21 ZINC000614298061 1033965735 /nfs/dbraw/zinc/96/57/35/1033965735.db2.gz LBIQNEOAJGCWGK-UHFFFAOYSA-N -1 1 333.391 4.127 20 30 EIEDMM Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1[O-] ZINC000120622533 1034662671 /nfs/dbraw/zinc/66/26/71/1034662671.db2.gz ZBUPJNFCUMEIBE-UHFFFAOYSA-N -1 1 345.358 4.012 20 30 EIEDMM COc1cc(/C=C2/Oc3ccc(Cl)cc3C2=O)cc(Cl)c1[O-] ZINC000729149818 1034729817 /nfs/dbraw/zinc/72/98/17/1034729817.db2.gz HABDQQXSLAMBLQ-MKMNVTDBSA-N -1 1 337.158 4.324 20 30 EIEDMM C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589167940 1036680781 /nfs/dbraw/zinc/68/07/81/1036680781.db2.gz GSWGPLGSQUPTPW-LLVKDONJSA-N -1 1 348.324 4.116 20 30 EIEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(F)c2ccccc21 ZINC000589527557 1036822839 /nfs/dbraw/zinc/82/28/39/1036822839.db2.gz UPWYGISJGUHHAW-LBPRGKRZSA-N -1 1 334.350 4.047 20 30 EIEDMM CCc1cc(C#N)c([N-]C(=O)c2cc(-c3cccc(F)c3)no2)s1 ZINC000604029052 1037161690 /nfs/dbraw/zinc/16/16/90/1037161690.db2.gz GEPCRZPXRJTWON-UHFFFAOYSA-N -1 1 341.367 4.229 20 30 EIEDMM Cc1sc(NC(=O)c2cc([O-])cc(C#N)c2)nc1-c1ccc(C)cc1 ZINC000589160819 1037319365 /nfs/dbraw/zinc/31/93/65/1037319365.db2.gz DSOSINCVPUJTNT-UHFFFAOYSA-N -1 1 349.415 4.257 20 30 EIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(C#N)cc3)n2)cc1 ZINC000046442787 1038208337 /nfs/dbraw/zinc/20/83/37/1038208337.db2.gz FKUHAQZHMBHKJN-KRWDZBQOSA-N -1 1 343.411 4.480 20 30 EIEDMM CCc1nc(SCc2ccccc2C(C)(C)C#N)[n-]c(=O)c1C ZINC000566498943 1038956160 /nfs/dbraw/zinc/95/61/60/1038956160.db2.gz QOROYQCQIRUPNN-UHFFFAOYSA-N -1 1 327.453 4.147 20 30 EIEDMM C=CCOc1ccc(C([O-])=C(C#N)c2nc3ccccc3s2)cc1 ZINC000041498968 1038984283 /nfs/dbraw/zinc/98/42/83/1038984283.db2.gz OEZQWFZRJHWXFK-HNNXBMFYSA-N -1 1 334.400 4.351 20 30 EIEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc([C@H]3CCOC3)c2)n1 ZINC000551661160 1040483503 /nfs/dbraw/zinc/48/35/03/1040483503.db2.gz IVTUSCMVAXMXSE-HOTGVXAUSA-N -1 1 340.448 4.260 20 30 EIEDMM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000537749427 1040795918 /nfs/dbraw/zinc/79/59/18/1040795918.db2.gz MXTMKVKYQYVDMH-UHFFFAOYSA-N -1 1 349.283 4.134 20 30 EIEDMM N#Cc1ccc(C(=O)N2CCC[C@@H]2c2cccc3ccccc32)cc1[O-] ZINC000443332724 1041427994 /nfs/dbraw/zinc/42/79/94/1041427994.db2.gz YGGHKVVETAGBPP-HXUWFJFHSA-N -1 1 342.398 4.394 20 30 EIEDMM N#CCCCOc1cccc(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436786055 1041481111 /nfs/dbraw/zinc/48/11/11/1041481111.db2.gz RHIWEPPHQJXHSJ-UHFFFAOYSA-N -1 1 346.386 4.480 20 30 EIEDMM Cn1c(C([O-])=C(C#N)c2nc3ccccc3s2)cc2ccccc21 ZINC000517305853 1041950997 /nfs/dbraw/zinc/95/09/97/1041950997.db2.gz HPNWXOMYGVHCPK-ZDUSSCGKSA-N -1 1 331.400 4.278 20 30 EIEDMM CC(=NNc1ccc(Br)c(C)c1)c1ccc(F)cc1[O-] ZINC000727778400 1043285854 /nfs/dbraw/zinc/28/58/54/1043285854.db2.gz GTKHSBNFXDOWNG-UHFFFAOYSA-N -1 1 337.192 4.438 20 30 EIEDMM Cc1ccc(-c2cc(C(=O)[N-]c3sc4c(c3C#N)CCC4)on2)cc1 ZINC000078764115 1043755422 /nfs/dbraw/zinc/75/54/22/1043755422.db2.gz LVONMENFVGOBCD-UHFFFAOYSA-N -1 1 349.415 4.324 20 30 EIEDMM Cc1csc(C(C#N)=C([O-])c2cccc(-c3cscn3)c2)n1 ZINC000442605153 1043770014 /nfs/dbraw/zinc/77/00/14/1043770014.db2.gz ZHJJEQJBJXQFNL-CYBMUJFWSA-N -1 1 325.418 4.065 20 30 EIEDMM Cc1cccc(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)c1 ZINC000066814147 1043813397 /nfs/dbraw/zinc/81/33/97/1043813397.db2.gz DAYHRCZUAILQGY-CQSZACIVSA-N -1 1 346.477 4.190 20 30 EIEDMM CC(C)Oc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1C#N ZINC000192237978 1043896697 /nfs/dbraw/zinc/89/66/97/1043896697.db2.gz GULDGSIXEZRYLE-UHFFFAOYSA-N -1 1 345.786 4.348 20 30 EIEDMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1 ZINC000193357339 1044045692 /nfs/dbraw/zinc/04/56/92/1044045692.db2.gz LWNDEIPVOLUUCN-AWEZNQCLSA-N -1 1 328.437 4.067 20 30 EIEDMM C[C@@H]1C[C@H](C)Cc2c(C#N)c([N-]C(=O)c3cc(C4CC4)no3)sc21 ZINC000521979902 1044133502 /nfs/dbraw/zinc/13/35/02/1044133502.db2.gz XGTJXUGAQYTSTA-VHSXEESVSA-N -1 1 341.436 4.423 20 30 EIEDMM O=C1c2ccc(F)cc2C/C1=C\c1ccc([O-])c(Br)c1 ZINC000734306246 1044529821 /nfs/dbraw/zinc/52/98/21/1044529821.db2.gz CKMFVGPMRWVOMW-VZUCSPMQSA-N -1 1 333.156 4.116 20 30 EIEDMM CC(N=Nc1nncc2ccccc21)c1cc(Cl)c(Cl)cc1[O-] ZINC000765992404 1044808279 /nfs/dbraw/zinc/80/82/79/1044808279.db2.gz AVWXNHFQGBAZFA-UHFFFAOYSA-N -1 1 347.205 4.478 20 30 EIEDMM C#CCOc1ccccc1-c1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000761995169 1044853462 /nfs/dbraw/zinc/85/34/62/1044853462.db2.gz HGHXPUFQFIXXJV-UHFFFAOYSA-N -1 1 342.354 4.274 20 30 EIEDMM Cc1nc(Cl)cc(N=NC(C)c2cc(Cl)c(Cl)cc2[O-])n1 ZINC000766021965 1045236875 /nfs/dbraw/zinc/23/68/75/1045236875.db2.gz XRKVBEVBROGJQJ-UHFFFAOYSA-N -1 1 345.617 4.287 20 30 EIEDMM N#Cc1ccc(Br)c(Nc2ccc([O-])c(F)c2F)c1 ZINC001212016446 1045839889 /nfs/dbraw/zinc/83/98/89/1045839889.db2.gz QJZPTJABTUHYBW-UHFFFAOYSA-N -1 1 325.112 4.048 20 30 EIEDMM CC(C)c1ccc(C(=O)N(CCC#N)c2ccc(F)cc2)c([O-])c1 ZINC000611280587 1045920981 /nfs/dbraw/zinc/92/09/81/1045920981.db2.gz LSKNMBLPGNKUTB-UHFFFAOYSA-N -1 1 326.371 4.215 20 30 EIEDMM Cc1nn(C)c2sc(C(=O)/C=C/c3ccc([O-])c(Cl)c3)cc12 ZINC000806579177 1047290473 /nfs/dbraw/zinc/29/04/73/1047290473.db2.gz YPQFSUITQAPVSK-GQCTYLIASA-N -1 1 332.812 4.198 20 30 EIEDMM CC(N=Nc1nnc(-c2ccccc2)s1)c1cc(F)cc(F)c1[O-] ZINC000814946870 1048265123 /nfs/dbraw/zinc/26/51/23/1048265123.db2.gz RUYVIYGNDMAWTB-UHFFFAOYSA-N -1 1 346.362 4.025 20 30 EIEDMM COc1cc(C)cc2c1OC/C(=C\c1ccc([O-])c(Cl)c1)C2=O ZINC000921269036 1048901530 /nfs/dbraw/zinc/90/15/30/1048901530.db2.gz HMUVQZQCQJZEGT-KPKJPENVSA-N -1 1 330.767 4.021 20 30 EIEDMM N#Cc1ccc(/C=C2\Cc3cc([O-])ccc3C2=O)c(C(F)(F)F)c1 ZINC000811693083 1049230477 /nfs/dbraw/zinc/23/04/77/1049230477.db2.gz GQUOAGQQGHPXFV-AWNIVKPZSA-N -1 1 329.277 4.105 20 30 EIEDMM C=CCN(C(=O)c1ccc(C(F)(F)F)cc1[O-])C1CCCCC1 ZINC001148800342 1049382303 /nfs/dbraw/zinc/38/23/03/1049382303.db2.gz DUKVQOJSAXYNON-UHFFFAOYSA-N -1 1 327.346 4.372 20 30 EIEDMM CCOc1ccc(C#N)cc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000195645866 1049417200 /nfs/dbraw/zinc/41/72/00/1049417200.db2.gz KFUDVSZPBXJUIC-UHFFFAOYSA-N -1 1 332.359 4.068 20 30 EIEDMM Cc1c2ccc(F)cc2sc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000805852563 1049896612 /nfs/dbraw/zinc/89/66/12/1049896612.db2.gz FGBZDFIZCVXYNW-CQSZACIVSA-N -1 1 339.395 4.246 20 30 EIEDMM N#Cc1c(C#N)c(Sc2cccc([O-])c2)nc2c1CCCCCC2 ZINC001186053535 1050229947 /nfs/dbraw/zinc/22/99/47/1050229947.db2.gz FXFLACYYWHGXDA-UHFFFAOYSA-N -1 1 335.432 4.341 20 30 EIEDMM CCCCCCCCS(=O)(=O)[N-]c1cc(-c2cccnc2)ccn1 ZINC001187993169 1050666428 /nfs/dbraw/zinc/66/64/28/1050666428.db2.gz LQAGVIIQVGQHDB-UHFFFAOYSA-N -1 1 347.484 4.246 20 30 EIEDMM Cc1ccc(C(C)C)c([O-])c1C(=O)Nc1ccc(C#N)c2ncccc12 ZINC001188181083 1050716943 /nfs/dbraw/zinc/71/69/43/1050716943.db2.gz HCHDQCKIVZWAPN-UHFFFAOYSA-N -1 1 345.402 4.496 20 30 EIEDMM Cc1cccc([O-])c1C(=O)Nc1nc(-c2ccc(C#N)s2)cs1 ZINC001188640454 1050820747 /nfs/dbraw/zinc/82/07/47/1050820747.db2.gz OYUYUJZSQXOCBP-UHFFFAOYSA-N -1 1 341.417 4.010 20 30 EIEDMM Cc1c(=O)[n-]c(S[C@H](C#N)C2CCCC2)nc1-c1ccccc1 ZINC001189104618 1050910841 /nfs/dbraw/zinc/91/08/41/1050910841.db2.gz RJOXWJBAPOBHTC-OAHLLOKOSA-N -1 1 325.437 4.332 20 30 EIEDMM C=C(C)c1cccc(C(C)(C)NC(=O)Nc2scc([O-])c2C#N)c1 ZINC001189252583 1050939771 /nfs/dbraw/zinc/93/97/71/1050939771.db2.gz XWVFFVGRTWQUSQ-UHFFFAOYSA-N -1 1 341.436 4.415 20 30 EIEDMM N#CC1(CC(=O)Nc2cccc(C(F)(F)F)c2[O-])CCCCC1 ZINC001181365945 1051212640 /nfs/dbraw/zinc/21/26/40/1051212640.db2.gz LAOOZMMXNMMRLE-UHFFFAOYSA-N -1 1 326.318 4.214 20 30 EIEDMM C=CCC1(S(=O)(=O)[N-]c2cc(C(C)(C)C)sc2C(C)=O)CC1 ZINC001190765874 1051273061 /nfs/dbraw/zinc/27/30/61/1051273061.db2.gz IHABPYMNTMWZQU-UHFFFAOYSA-N -1 1 341.498 4.099 20 30 EIEDMM N#Cc1cc(Br)ccc1Nc1c(F)cc([O-])cc1F ZINC001175100414 1051346946 /nfs/dbraw/zinc/34/69/46/1051346946.db2.gz SZBJUHOTXPVVHR-UHFFFAOYSA-N -1 1 325.112 4.048 20 30 EIEDMM C#Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cccs3)cc2)cc1 ZINC001194169001 1052094646 /nfs/dbraw/zinc/09/46/46/1052094646.db2.gz HPSQGZIZEOOWOC-UHFFFAOYSA-N -1 1 339.441 4.197 20 30 EIEDMM N#Cc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)c([O-])c1 ZINC001185618648 1052279036 /nfs/dbraw/zinc/27/90/36/1052279036.db2.gz RVERQJWVDMQCER-UHFFFAOYSA-N -1 1 339.248 4.066 20 30 EIEDMM N#CC(=C([O-])c1csc(-c2ccc(Cl)cc2)c1)c1ccncn1 ZINC000429505419 1053341481 /nfs/dbraw/zinc/34/14/81/1053341481.db2.gz RHHQXZAUFJAXIO-CQSZACIVSA-N -1 1 339.807 4.349 20 30 EIEDMM N#Cc1ccc(NC(=O)c2ccc(-c3ccccn3)cc2Cl)c([O-])c1 ZINC001195664757 1053460921 /nfs/dbraw/zinc/46/09/21/1053460921.db2.gz FSWOAECAIGNGEV-UHFFFAOYSA-N -1 1 349.777 4.232 20 30 EIEDMM CC(C)CC(=O)Nc1ccc(N[C@@H](C)c2cccc(C#N)c2[O-])cc1 ZINC000866315631 1053688046 /nfs/dbraw/zinc/68/80/46/1053688046.db2.gz MSUQORSBGNRSRZ-AWEZNQCLSA-N -1 1 337.423 4.422 20 30 EIEDMM CCCC(CC)N=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000776179758 1054789862 /nfs/dbraw/zinc/78/98/62/1054789862.db2.gz DZMHWMGMULEEDD-UHFFFAOYSA-N -1 1 345.468 4.465 20 30 EIEDMM N#Cc1cc(N)c(Nc2ccc(Cl)c([O-])c2)cc1C(F)(F)F ZINC001212595501 1060992852 /nfs/dbraw/zinc/99/28/52/1060992852.db2.gz WZYVBVRWWHPQBK-UHFFFAOYSA-N -1 1 327.693 4.262 20 30 EIEDMM C[C@H]1CCc2sc([N-]C(=O)c3c(F)ccnc3F)c(C#N)c2[C@H]1C ZINC000891180854 1021475435 /nfs/dbraw/zinc/47/54/35/1021475435.db2.gz KNGZZAUAFJZYGL-IUCAKERBSA-N -1 1 347.390 4.231 20 30 EIEDMM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188610745 1021625903 /nfs/dbraw/zinc/62/59/03/1021625903.db2.gz UVLUTLRETKMAOC-STQMWFEESA-N -1 1 342.826 4.181 20 30 EIEDMM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188610681 1021630660 /nfs/dbraw/zinc/63/06/60/1021630660.db2.gz UVLUTLRETKMAOC-CHWSQXEVSA-N -1 1 342.826 4.181 20 30 EIEDMM C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000182060160 1022760730 /nfs/dbraw/zinc/76/07/30/1022760730.db2.gz YFNMIHLDHBHCTP-CYBMUJFWSA-N -1 1 332.359 4.089 20 30 EIEDMM Cc1ccccc1S(=O)(=O)[N-]c1ccccc1S[C@@H](C)CC#N ZINC000108985355 1023091147 /nfs/dbraw/zinc/09/11/47/1023091147.db2.gz VVAGMJUUBVAANO-AWEZNQCLSA-N -1 1 346.477 4.190 20 30 EIEDMM COCc1ccccc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430594152 1023164856 /nfs/dbraw/zinc/16/48/56/1023164856.db2.gz JYALJLQZUPFEBT-AWEZNQCLSA-N -1 1 328.437 4.077 20 30 EIEDMM Cc1csc(C(C#N)=C([O-])c2cccc(Oc3nccs3)c2)n1 ZINC000077865165 1025509884 /nfs/dbraw/zinc/50/98/84/1025509884.db2.gz WRJSBXBNFJMJGC-ZDUSSCGKSA-N -1 1 341.417 4.190 20 30 EIEDMM O=C1c2ccccc2OCC/C1=C\c1ccc([O-])c(Br)c1 ZINC000728442047 1025557556 /nfs/dbraw/zinc/55/75/56/1025557556.db2.gz UPQNZJORBRNZDN-FMIVXFBMSA-N -1 1 345.192 4.204 20 30 EIEDMM O=C(C=Cc1ccc([O-])c(Cl)c1)c1ccc(C(F)(F)F)[nH]c1=O ZINC000255455230 1025623688 /nfs/dbraw/zinc/62/36/88/1025623688.db2.gz KRLLIXKMMNPAGI-RJRFIUFISA-N -1 1 343.688 4.061 20 30 EIEDMM Cc1ccc2c(c1)C(=O)/C(=C\c1ccc([O-])c(Br)c1)C2 ZINC000303264180 1027524174 /nfs/dbraw/zinc/52/41/74/1027524174.db2.gz FVPCEDKRODIUAK-QPEQYQDCSA-N -1 1 329.193 4.286 20 30 EIEDMM C[C@H](Oc1ccccc1C#N)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445444513 1028573021 /nfs/dbraw/zinc/57/30/21/1028573021.db2.gz GKTZUHWSPZMHRW-JTQLQIEISA-N -1 1 341.754 4.107 20 30 EIEDMM N#Cc1cccc(Br)c1Nc1cc(F)c([O-])c(F)c1 ZINC001213384273 1028725372 /nfs/dbraw/zinc/72/53/72/1028725372.db2.gz BUBVSOZFJOCLNW-UHFFFAOYSA-N -1 1 325.112 4.048 20 30 EIEDMM N#Cc1cc(OC(F)(F)F)ccc1Nc1cc(F)c([O-])c(F)c1 ZINC001213389052 1028852189 /nfs/dbraw/zinc/85/21/89/1028852189.db2.gz ZPECNXJHULZKST-UHFFFAOYSA-N -1 1 330.212 4.184 20 30 EIEDMM O=C(/C=C\c1ccc([O-])c(F)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000755589162 1029909075 /nfs/dbraw/zinc/90/90/75/1029909075.db2.gz NNPHLZUUORMNFI-XFSBKJJWSA-N -1 1 340.272 4.369 20 30 EIEDMM CCOc1cc(/C=C\C(=O)c2ccccc2C#N)cc(Cl)c1[O-] ZINC000588618058 1030470077 /nfs/dbraw/zinc/47/00/77/1030470077.db2.gz DAJYJIPVUHFEEK-FPLPWBNLSA-N -1 1 327.767 4.212 20 30 EIEDMM C[C@H](CNC(=O)c1cc([O-])cc(C#N)c1)c1c(Cl)cccc1Cl ZINC000614368288 1034478687 /nfs/dbraw/zinc/47/86/87/1034478687.db2.gz JOVACDJHZBDGRI-SNVBAGLBSA-N -1 1 349.217 4.104 20 30 EIEDMM COCc1ccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cc1 ZINC000592974624 1037882831 /nfs/dbraw/zinc/88/28/31/1037882831.db2.gz VTVNEXZHFOWBPI-CQSZACIVSA-N -1 1 340.379 4.072 20 30 EIEDMM CCSCc1ccccc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000434616615 1039720770 /nfs/dbraw/zinc/72/07/70/1039720770.db2.gz IHMWPOMDSBVSEU-INIZCTEOSA-N -1 1 349.459 4.316 20 30 EIEDMM C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(C#N)c([O-])c1)C1CC1 ZINC000442719121 1040081281 /nfs/dbraw/zinc/08/12/81/1040081281.db2.gz IBMXBNBOVWDXPQ-LBPRGKRZSA-N -1 1 340.810 4.283 20 30 EIEDMM N#CCCCOc1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000436785313 1041481041 /nfs/dbraw/zinc/48/10/41/1041481041.db2.gz NYXYMJLSIQZGLO-UHFFFAOYSA-N -1 1 346.386 4.480 20 30 EIEDMM COc1cc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2C)cc(Cl)c1[O-] ZINC000128455488 1041508800 /nfs/dbraw/zinc/50/88/00/1041508800.db2.gz BURMDFRIDKEIIG-GQCTYLIASA-N -1 1 347.754 4.167 20 30 EIEDMM N#CC[C@@H](Cc1nc(-c2ccc([O-])cc2Cl)no1)c1ccccc1 ZINC000436875191 1041532987 /nfs/dbraw/zinc/53/29/87/1041532987.db2.gz XEZDIMZYPMKEAK-ZDUSSCGKSA-N -1 1 339.782 4.336 20 30 EIEDMM CC(C)c1csc(C(C#N)=C([O-])c2c[nH]c(C(F)(F)F)c2)n1 ZINC000429670012 1042689466 /nfs/dbraw/zinc/68/94/66/1042689466.db2.gz WHCACALOJKXPCE-VIFPVBQESA-N -1 1 327.331 4.103 20 30 EIEDMM N#Cc1ccc(F)c(COC(=O)c2ccc(Cl)c(Cl)c2[O-])c1 ZINC000730359747 1043503431 /nfs/dbraw/zinc/50/34/31/1043503431.db2.gz NJWJBAGMLKKEJR-UHFFFAOYSA-N -1 1 340.137 4.067 20 30 EIEDMM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1scnc1Cl ZINC000731332189 1043736612 /nfs/dbraw/zinc/73/66/12/1043736612.db2.gz FXGPXJILOKYFGM-SECBINFHSA-N -1 1 337.857 4.443 20 30 EIEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000442899389 1043891697 /nfs/dbraw/zinc/89/16/97/1043891697.db2.gz QJDXAXAGYJTRTB-SECBINFHSA-N -1 1 335.190 4.062 20 30 EIEDMM CC(C)[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Cl)cc1 ZINC000442905393 1043893643 /nfs/dbraw/zinc/89/36/43/1043893643.db2.gz SHCPEHDZBUNPGK-KRWDZBQOSA-N -1 1 328.799 4.044 20 30 EIEDMM C=CCC[C@@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)c1ccccc1 ZINC000443055615 1043994392 /nfs/dbraw/zinc/99/43/92/1043994392.db2.gz FJOGPXYPQLKBDX-MRXNPFEDSA-N -1 1 345.826 4.492 20 30 EIEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc2cc(F)ccc2s1 ZINC000193265668 1044029025 /nfs/dbraw/zinc/02/90/25/1044029025.db2.gz AQPOTKMVXPMXKR-ZDUSSCGKSA-N -1 1 349.390 4.417 20 30 EIEDMM N#Cc1ccc(C(=O)N2CCCCC[C@@H]2/C=C/c2ccccc2)cc1[O-] ZINC000443299750 1044158159 /nfs/dbraw/zinc/15/81/59/1044158159.db2.gz XOUFVTWLLCCZRB-XEDBTPMOSA-N -1 1 346.430 4.362 20 30 EIEDMM N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1cccc([O-])c1Cl ZINC000509005701 1044901095 /nfs/dbraw/zinc/90/10/95/1044901095.db2.gz FKKLZDGDWOHPHR-DLBZAZTESA-N -1 1 326.827 4.317 20 30 EIEDMM CCCCCCCCc1nnc([N-]C(=O)c2ncoc2CC)s1 ZINC000739502627 1045140533 /nfs/dbraw/zinc/14/05/33/1045140533.db2.gz LFZQYULHXXCCNH-UHFFFAOYSA-N -1 1 336.461 4.244 20 30 EIEDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)cc1 ZINC000066814184 1045734391 /nfs/dbraw/zinc/73/43/91/1045734391.db2.gz RWEUTOXNUQVTNA-CQSZACIVSA-N -1 1 346.477 4.190 20 30 EIEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000076961059 1045916870 /nfs/dbraw/zinc/91/68/70/1045916870.db2.gz SKDREZCXOONHGL-WDSKDSINSA-N -1 1 348.687 4.008 20 30 EIEDMM N#Cc1cccc(COc2cccc(NC(=O)c3ccccc3[O-])c2)c1 ZINC000032742979 1045926133 /nfs/dbraw/zinc/92/61/33/1045926133.db2.gz CFZYPJIHFMZEBZ-UHFFFAOYSA-N -1 1 344.370 4.095 20 30 EIEDMM CCC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(Br)cc1 ZINC000916240740 1045960812 /nfs/dbraw/zinc/96/08/12/1045960812.db2.gz NDXDSEDJVWRFAH-UHFFFAOYSA-N -1 1 347.212 4.374 20 30 EIEDMM CCCCCCCCc1nnc([N-]C(=O)c2ccc(C(C)=O)o2)s1 ZINC000772148847 1046579710 /nfs/dbraw/zinc/57/97/10/1046579710.db2.gz LONFPXGIOZGKJX-UHFFFAOYSA-N -1 1 349.456 4.489 20 30 EIEDMM CSc1cc(C)ccc1[N-]C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC001129953019 1046803684 /nfs/dbraw/zinc/80/36/84/1046803684.db2.gz QHOJQUKULGUFGD-UHFFFAOYSA-N -1 1 349.415 4.496 20 30 EIEDMM Cc1c(=O)[n-]c(SCC2(C#N)CCCC2)nc1-c1ccccc1 ZINC000917469385 1046910437 /nfs/dbraw/zinc/91/04/37/1046910437.db2.gz UPJSGZBQXSGBCK-UHFFFAOYSA-N -1 1 325.437 4.334 20 30 EIEDMM Cc1ccc(C(=O)[O-])cc1C(C)N=Nc1nc2ccccc2cc1C ZINC000788438453 1047183981 /nfs/dbraw/zinc/18/39/81/1047183981.db2.gz JRNPSMHMCBLHSZ-UHFFFAOYSA-N -1 1 333.391 4.386 20 30 EIEDMM C[C@H]1c2c(C#N)c([N-]C(=O)c3cc(C4CC4)no3)sc2CC[C@@H]1C ZINC000556807024 1048021080 /nfs/dbraw/zinc/02/10/80/1048021080.db2.gz VFOBFNFTMQFYSN-VHSXEESVSA-N -1 1 341.436 4.423 20 30 EIEDMM N#Cc1ccc(NN=Cc2cccc([O-])c2Cl)c(C(F)(F)F)c1 ZINC000814924052 1048239108 /nfs/dbraw/zinc/23/91/08/1048239108.db2.gz UOSURDHFAMWMBI-UHFFFAOYSA-N -1 1 339.704 4.382 20 30 EIEDMM [O-]c1cccc(CN=Nc2nnc(-c3ccccc3)s2)c1Cl ZINC000814946580 1048263286 /nfs/dbraw/zinc/26/32/86/1048263286.db2.gz LDVUDUHKMUDRFY-UHFFFAOYSA-N -1 1 330.800 4.010 20 30 EIEDMM CCCOc1ccc2c(c1)C(=O)/C(=C\c1ccc([O-])c(Cl)c1)CO2 ZINC000921270318 1048902975 /nfs/dbraw/zinc/90/29/75/1048902975.db2.gz UCVWVORJKQQKOS-JYRVWZFOSA-N -1 1 344.794 4.493 20 30 EIEDMM [O-]/N=C/c1cc(N[C@H]2COCc3ccccc32)cc(C(F)(F)F)c1 ZINC001171293612 1049079199 /nfs/dbraw/zinc/07/91/99/1049079199.db2.gz DSOPZURWCFTSIX-ZTYNIRBVSA-N -1 1 336.313 4.197 20 30 EIEDMM CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC001136666790 1049820615 /nfs/dbraw/zinc/82/06/15/1049820615.db2.gz DLELPCNGGTWGFA-INIZCTEOSA-N -1 1 342.826 4.338 20 30 EIEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc(C3(C#N)CC3)cc2)n1 ZINC000180068385 1049837622 /nfs/dbraw/zinc/83/76/22/1049837622.db2.gz WYOYHPCJSIBWMB-HNNXBMFYSA-N -1 1 335.432 4.312 20 30 EIEDMM C[C@@H](C#N)Oc1ccccc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000182094097 1050463995 /nfs/dbraw/zinc/46/39/95/1050463995.db2.gz YFXNZEUDLKCIBH-ZDUSSCGKSA-N -1 1 332.359 4.089 20 30 EIEDMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(CC#N)c2)cc1 ZINC001190446884 1051186923 /nfs/dbraw/zinc/18/69/23/1051186923.db2.gz ADMJQGXOHUYGLH-UHFFFAOYSA-N -1 1 342.464 4.241 20 30 EIEDMM N#Cc1cc(Nc2c(F)cc([O-])cc2F)ccc1N1CCCCC1 ZINC001175096585 1051379620 /nfs/dbraw/zinc/37/96/20/1051379620.db2.gz DOEMBUOCPSMZBV-UHFFFAOYSA-N -1 1 329.350 4.276 20 30 EIEDMM Cc1cc(O)cc([O-])c1C(=O)Nc1ccccc1-c1ccc(C#N)cc1 ZINC001193937405 1052023455 /nfs/dbraw/zinc/02/34/55/1052023455.db2.gz GPQWTCANJHSXCL-UHFFFAOYSA-N -1 1 344.370 4.197 20 30 EIEDMM Cc1cc(C)c([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1C#N ZINC001195169085 1053314443 /nfs/dbraw/zinc/31/44/43/1053314443.db2.gz GLZSIDHNCGYBFD-UHFFFAOYSA-N -1 1 328.437 4.099 20 30 EIEDMM CCc1ccc(NC(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)cn1 ZINC001196308929 1053627963 /nfs/dbraw/zinc/62/79/63/1053627963.db2.gz FHLFPAPHURCCPG-UHFFFAOYSA-N -1 1 343.386 4.141 20 30 EIEDMM N#Cc1c([O-])csc1NC(=S)Nc1cccc(C(F)(F)F)c1 ZINC001198030662 1054062080 /nfs/dbraw/zinc/06/20/80/1054062080.db2.gz ZKWICXUALGQOPE-UHFFFAOYSA-N -1 1 343.355 4.153 20 30 EIEDMM CC(C)(C[N-]C(=O)C(F)(F)c1c(F)cccc1F)CC(F)(F)F ZINC000856520308 1054081553 /nfs/dbraw/zinc/08/15/53/1054081553.db2.gz WUWUBRCUPQPODF-UHFFFAOYSA-N -1 1 345.258 4.151 20 30 EIEDMM CC1(C)Cc2ccc(C([O-])=C(C#N)c3nc(C4CC4)cs3)cc2O1 ZINC000870443876 1054098011 /nfs/dbraw/zinc/09/80/11/1054098011.db2.gz CKSFUFTYBUOZDD-CQSZACIVSA-N -1 1 338.432 4.224 20 30 EIEDMM CC(C)(C)CN(CCC#N)Cn1c(CCC2CCCC2)n[n-]c1=S ZINC000104657176 1054253515 /nfs/dbraw/zinc/25/35/15/1054253515.db2.gz WPVMNLSONKPXDC-UHFFFAOYSA-N -1 1 349.548 4.283 20 30 EIEDMM N#Cc1c([O-])csc1NC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC001200993139 1054619749 /nfs/dbraw/zinc/61/97/49/1054619749.db2.gz SHTWXCVDNVZDEW-UHFFFAOYSA-N -1 1 344.248 4.441 20 30 EIEDMM C=CCCCN(CC)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000890811876 1020788541 /nfs/dbraw/zinc/78/85/41/1020788541.db2.gz NYILRMHIQQDVHP-UHFFFAOYSA-N -1 1 348.443 4.168 20 30 EIEDMM Cc1cscc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000175119255 1022250187 /nfs/dbraw/zinc/25/01/87/1022250187.db2.gz UXGUTJHALQKJLL-SNVBAGLBSA-N -1 1 331.347 4.291 20 30 EIEDMM CC(C)c1cccc(O[C@H](C)C(=O)Nc2n[n-]c(C(F)(F)F)n2)c1 ZINC000051266514 1023797822 /nfs/dbraw/zinc/79/78/22/1023797822.db2.gz XLJMFGACKNNZGB-SECBINFHSA-N -1 1 342.321 4.002 20 30 EIEDMM CC(C)COc1ncccc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000093243608 1024030146 /nfs/dbraw/zinc/03/01/46/1024030146.db2.gz XPZSWQAXSRPKCD-QGZVFWFLSA-N -1 1 345.402 4.155 20 30 EIEDMM N#CC(=C([O-])c1ccn(C2CCCCC2)n1)c1ccc2ccccc2n1 ZINC000684630366 1025200926 /nfs/dbraw/zinc/20/09/26/1025200926.db2.gz XYCKYRIJBWKWTB-QGZVFWFLSA-N -1 1 344.418 4.427 20 30 EIEDMM O=C(/C=C\c1ccc([O-])c(Cl)c1)c1cnn(Cc2ccccc2)c1 ZINC000255440089 1025441044 /nfs/dbraw/zinc/44/10/44/1025441044.db2.gz KTVUEVCJCFDQHJ-VURMDHGXSA-N -1 1 338.794 4.187 20 30 EIEDMM CCCC[C@H](CC)CC=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000760249336 1030860655 /nfs/dbraw/zinc/86/06/55/1030860655.db2.gz PFPHSJKYDVDPCQ-ZDUSSCGKSA-N -1 1 346.479 4.291 20 30 EIEDMM N#CC(=C([O-])c1cnc(CC2CC2)s1)c1ccc2ccccc2n1 ZINC000892428422 1030899964 /nfs/dbraw/zinc/89/99/64/1030899964.db2.gz ZFTFJHULSRECIR-CQSZACIVSA-N -1 1 333.416 4.134 20 30 EIEDMM CCN(C(=O)c1cc([O-])cc(C#N)c1)[C@H](C)c1cc2ccccc2o1 ZINC000614365443 1034474821 /nfs/dbraw/zinc/47/48/21/1034474821.db2.gz GBOPDIHIVMQABX-CYBMUJFWSA-N -1 1 334.375 4.233 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)N2CCCCC[C@@H]2/C=C\c2ccccc2)c1 ZINC000614375142 1034490461 /nfs/dbraw/zinc/49/04/61/1034490461.db2.gz FUORIFRSJUSBPW-JPMGXVIASA-N -1 1 346.430 4.362 20 30 EIEDMM CCOc1ccc(/C=C2\CCc3cc([O-])ccc3C2=O)cc1OCC ZINC000060364423 1036045804 /nfs/dbraw/zinc/04/58/04/1036045804.db2.gz JPAOYGXEOHKIOD-LFIBNONCSA-N -1 1 338.403 4.402 20 30 EIEDMM N#CC1(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)CC2(CC2)C1 ZINC000601680600 1036197627 /nfs/dbraw/zinc/19/76/27/1036197627.db2.gz SOYNYFMPGDIOMN-UHFFFAOYSA-N -1 1 326.783 4.221 20 30 EIEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000597782772 1036346296 /nfs/dbraw/zinc/34/62/96/1036346296.db2.gz ZTYAXRQUWLTUQR-OALUTQOASA-N -1 1 334.419 4.062 20 30 EIEDMM CCCCN(C(=O)c1cc([O-])cc(C#N)c1)[C@@H](C)c1ccc(C)o1 ZINC000589174678 1036685247 /nfs/dbraw/zinc/68/52/47/1036685247.db2.gz MWIIJGMEXMTPNP-AWEZNQCLSA-N -1 1 326.396 4.169 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc3oc4ccccc4c3c2)c1 ZINC000589157550 1036698455 /nfs/dbraw/zinc/69/84/55/1036698455.db2.gz IDKSQPSPZZZHHO-UHFFFAOYSA-N -1 1 328.327 4.416 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccc(CCC(F)(F)F)c2)c1 ZINC000589189033 1036706001 /nfs/dbraw/zinc/70/60/01/1036706001.db2.gz ZPWDAIKMYPXBPK-UHFFFAOYSA-N -1 1 334.297 4.011 20 30 EIEDMM CCSCc1ccccc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000434616616 1039721715 /nfs/dbraw/zinc/72/17/15/1039721715.db2.gz IHMWPOMDSBVSEU-MRXNPFEDSA-N -1 1 349.459 4.316 20 30 EIEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000443423069 1039852898 /nfs/dbraw/zinc/85/28/98/1039852898.db2.gz PCLSHSVIURDQBT-UHFFFAOYSA-N -1 1 346.839 4.131 20 30 EIEDMM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)c1ccc(C#N)c([O-])c1 ZINC000443309215 1041345432 /nfs/dbraw/zinc/34/54/32/1041345432.db2.gz DZUQBEWEQMVIIY-LJQANCHMSA-N -1 1 336.435 4.056 20 30 EIEDMM C[C@H](c1nc(-c2ccc([O-])cc2Cl)no1)c1cccc(C#N)c1 ZINC000436653773 1041395901 /nfs/dbraw/zinc/39/59/01/1041395901.db2.gz BIGPGZHPQIFUMR-JTQLQIEISA-N -1 1 325.755 4.119 20 30 EIEDMM C=CCCCS(=O)(=O)[N-]c1ccc(SCc2ccccc2)cn1 ZINC000427770406 1043193936 /nfs/dbraw/zinc/19/39/36/1043193936.db2.gz ZGXHAOLJAYVGSA-UHFFFAOYSA-N -1 1 348.493 4.082 20 30 EIEDMM N#Cc1cc(Nc2cc(F)cc(F)c2[O-])ccc1Br ZINC001212487688 1043532718 /nfs/dbraw/zinc/53/27/18/1043532718.db2.gz UGOIABGIGLAMTF-UHFFFAOYSA-N -1 1 325.112 4.048 20 30 EIEDMM CCC(N=Nc1ccc(F)cn1)c1cc(Cl)cc(Cl)c1[O-] ZINC000731317752 1043738593 /nfs/dbraw/zinc/73/85/93/1043738593.db2.gz FIUYJKAYDGKFHG-UHFFFAOYSA-N -1 1 328.174 4.459 20 30 EIEDMM CCSc1cccc(C([O-])=C(C#N)c2nc3ccccc3n2C)c1 ZINC000153124693 1043864852 /nfs/dbraw/zinc/86/48/52/1043864852.db2.gz XQXDXMQRXYPCET-OAHLLOKOSA-N -1 1 335.432 4.175 20 30 EIEDMM C[C@@H]1Cc2c(C#N)c([N-]C(=O)c3cc(C4CC4)no3)sc2[C@@H](C)C1 ZINC000521979901 1044132380 /nfs/dbraw/zinc/13/23/80/1044132380.db2.gz XGTJXUGAQYTSTA-UWVGGRQHSA-N -1 1 341.436 4.423 20 30 EIEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)CC)c1 ZINC000443421046 1044273996 /nfs/dbraw/zinc/27/39/96/1044273996.db2.gz WDXMBZHNKGZMQJ-UHFFFAOYSA-N -1 1 343.448 4.199 20 30 EIEDMM O=C([O-])c1ccccc1N=NC1CCCOc2c(Cl)cccc21 ZINC000733744838 1044296420 /nfs/dbraw/zinc/29/64/20/1044296420.db2.gz SPWHDHUKCRXIPK-UHFFFAOYSA-N -1 1 330.771 4.027 20 30 EIEDMM O=C1c2ccc([O-])cc2O/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000733805992 1044312206 /nfs/dbraw/zinc/31/22/06/1044312206.db2.gz SZYVATWDANIGDT-ZDLGFXPLSA-N -1 1 349.298 4.177 20 30 EIEDMM Cc1csc(C(C#N)=C([O-])c2ccc(C(F)(F)F)c(F)c2C)n1 ZINC000443535135 1044447984 /nfs/dbraw/zinc/44/79/84/1044447984.db2.gz ZJKILKMWGRRYDK-SNVBAGLBSA-N -1 1 342.317 4.408 20 30 EIEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2cccc(SC)c2)c1 ZINC000509075735 1045068741 /nfs/dbraw/zinc/06/87/41/1045068741.db2.gz SCUUBMPLOKDEPN-UHFFFAOYSA-N -1 1 349.477 4.164 20 30 EIEDMM C=CC[C@H](C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccccc1 ZINC000429068069 1045105099 /nfs/dbraw/zinc/10/50/99/1045105099.db2.gz KNRIBKFWYIYUNU-KRWDZBQOSA-N -1 1 333.391 4.081 20 30 EIEDMM CC(=NNc1cnnc2ccccc21)c1cc(Cl)c(Cl)cc1[O-] ZINC000766019316 1045217412 /nfs/dbraw/zinc/21/74/12/1045217412.db2.gz GCYUZCQCKGAXEC-UHFFFAOYSA-N -1 1 347.205 4.478 20 30 EIEDMM Cc1csc(C(C#N)=C([O-])c2cccc(OC3CCCC3)c2)n1 ZINC000066723058 1045731791 /nfs/dbraw/zinc/73/17/91/1045731791.db2.gz IAWZKJIXQRBVKO-INIZCTEOSA-N -1 1 326.421 4.263 20 30 EIEDMM COc1ccc([O-])c(C(=O)/C=C/c2cccc(-c3cccnc3)c2)c1 ZINC000768490380 1045814405 /nfs/dbraw/zinc/81/44/05/1045814405.db2.gz OCEVCMNUPBVKED-VQHVLOKHSA-N -1 1 331.371 4.359 20 30 EIEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000076961061 1045916725 /nfs/dbraw/zinc/91/67/25/1045916725.db2.gz SKDREZCXOONHGL-PHDIDXHHSA-N -1 1 348.687 4.008 20 30 EIEDMM COc1ccc([O-])c(C(=O)/C=C\c2nc(-c3ccccc3)cs2)c1 ZINC000757466953 1046018192 /nfs/dbraw/zinc/01/81/92/1046018192.db2.gz AUWARRHHRVDQJW-KTKRTIGZSA-N -1 1 337.400 4.420 20 30 EIEDMM CCN(C(=O)c1c([O-])cccc1Cl)[C@@H](C)c1ccc(C#N)cc1 ZINC000769723311 1046056429 /nfs/dbraw/zinc/05/64/29/1046056429.db2.gz WEQGGQPSXIQAHV-LBPRGKRZSA-N -1 1 328.799 4.141 20 30 EIEDMM CCCCCCCC(C)=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000769809635 1046079145 /nfs/dbraw/zinc/07/91/45/1046079145.db2.gz FZLPQXNOZRKGJW-UHFFFAOYSA-N -1 1 346.479 4.435 20 30 EIEDMM N#Cc1cc(-c2ccccc2)sc1[N-]C(=O)c1ncc(F)cc1F ZINC000192200188 1046215392 /nfs/dbraw/zinc/21/53/92/1046215392.db2.gz FZJRYSAAGSHMLM-UHFFFAOYSA-N -1 1 341.342 4.212 20 30 EIEDMM COc1ccc2c(c1)C(=O)/C(=C/c1ccc([O-])c(Cl)c1)CS2 ZINC000786053385 1046806207 /nfs/dbraw/zinc/80/62/07/1046806207.db2.gz RROUNXFJBIKBHY-IZZDOVSWSA-N -1 1 332.808 4.426 20 30 EIEDMM C[C@@H]1CCc2sc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)cc2C1 ZINC000046706371 1047809965 /nfs/dbraw/zinc/80/99/65/1047809965.db2.gz DSNKHZCITPWECE-YPMHNXCESA-N -1 1 335.432 4.239 20 30 EIEDMM CCC(=NNc1ccc(C(=O)[O-])cc1)c1ccccc1OC(F)F ZINC000814680288 1048115437 /nfs/dbraw/zinc/11/54/37/1048115437.db2.gz JWXHAYNWSJYELB-UHFFFAOYSA-N -1 1 334.322 4.212 20 30 EIEDMM Cc1ccc2c(c1)oc(C(C)N=Nc1ccccc1F)c2CC(=O)[O-] ZINC000814789711 1048169330 /nfs/dbraw/zinc/16/93/30/1048169330.db2.gz MNGWDEXNCBRZOZ-UHFFFAOYSA-N -1 1 340.354 4.344 20 30 EIEDMM [O-]c1cccc(C=NNCc2ccc(Cl)cc2Cl)c1Cl ZINC000814799132 1048174798 /nfs/dbraw/zinc/17/47/98/1048174798.db2.gz XTIXYBMTRDVWQG-UHFFFAOYSA-N -1 1 329.614 4.476 20 30 EIEDMM N#CCCN(C(=O)c1ccc2ccccc2c1[O-])c1ccc(F)cc1 ZINC000556950950 1048300628 /nfs/dbraw/zinc/30/06/28/1048300628.db2.gz ATPUDJWASWURDJ-UHFFFAOYSA-N -1 1 334.350 4.245 20 30 EIEDMM N#CCCN(Cc1ccc(Cl)cc1)Cc1c(F)cc([O-])cc1F ZINC001144560245 1048728666 /nfs/dbraw/zinc/72/86/66/1048728666.db2.gz XDFCRFZOVICFDX-UHFFFAOYSA-N -1 1 336.769 4.240 20 30 EIEDMM N#CCCN(Cc1ccc(Cl)cc1)Cc1cc(F)c([O-])cc1F ZINC001144657760 1048778555 /nfs/dbraw/zinc/77/85/55/1048778555.db2.gz HBMNMOUIQCHMLY-UHFFFAOYSA-N -1 1 336.769 4.240 20 30 EIEDMM COc1ccc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cc1 ZINC000076606471 1048909619 /nfs/dbraw/zinc/90/96/19/1048909619.db2.gz IRMSATLPVMMNSM-CYBMUJFWSA-N -1 1 342.807 4.448 20 30 EIEDMM N#Cc1oc2ccccc2c1[N-]C(=O)c1cc(Br)cs1 ZINC001147906039 1049237861 /nfs/dbraw/zinc/23/78/61/1049237861.db2.gz UOKFLPGOPJYQFF-UHFFFAOYSA-N -1 1 347.193 4.381 20 30 EIEDMM CCOc1cccc2cc(C(C)N=Nc3ccccc3C(=O)[O-])oc21 ZINC000812445731 1049493361 /nfs/dbraw/zinc/49/33/61/1049493361.db2.gz YAYWSNLSRNGJQZ-UHFFFAOYSA-N -1 1 338.363 4.366 20 30 EIEDMM [O-]/N=C/c1cc(NCc2cccc3ncoc32)cc(C(F)(F)F)c1 ZINC001171457512 1049710371 /nfs/dbraw/zinc/71/03/71/1049710371.db2.gz SLGSWAKJHLFCDC-QPJQQBGISA-N -1 1 335.285 4.267 20 30 EIEDMM N#Cc1c(Cl)cccc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000649308796 1049810275 /nfs/dbraw/zinc/81/02/75/1049810275.db2.gz GUJNPGCDRZKRKW-UHFFFAOYSA-N -1 1 340.810 4.017 20 30 EIEDMM C=CCCC1(CNC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)CCCC1 ZINC000617417079 1049989632 /nfs/dbraw/zinc/98/96/32/1049989632.db2.gz KMXULWMKOLVURS-UHFFFAOYSA-N -1 1 345.487 4.045 20 30 EIEDMM CCCCCCCCS(=O)(=O)[N-]c1cc(OC)ccc1C(C)=O ZINC001188018054 1050679495 /nfs/dbraw/zinc/67/94/95/1050679495.db2.gz RMJGFRHNMJCSRG-UHFFFAOYSA-N -1 1 341.473 4.000 20 30 EIEDMM CCCCCCCCS(=O)(=O)[N-]c1cccc(F)c1C(C)=O ZINC001188017996 1050679733 /nfs/dbraw/zinc/67/97/33/1050679733.db2.gz ORLKUVKWXXLNEM-UHFFFAOYSA-N -1 1 329.437 4.131 20 30 EIEDMM CC(C)c1cc(C(=O)[N-]c2ccccc2S[C@@H](C)CC#N)on1 ZINC000070860213 1050917221 /nfs/dbraw/zinc/91/72/21/1050917221.db2.gz HNKYFCJZOSZKEO-LBPRGKRZSA-N -1 1 329.425 4.445 20 30 EIEDMM N#Cc1cccc([O-])c1NC(=O)NC(c1ccccc1)c1ccccc1 ZINC001189539336 1051015114 /nfs/dbraw/zinc/01/51/14/1051015114.db2.gz ADNWDVFWPKQRQZ-UHFFFAOYSA-N -1 1 343.386 4.175 20 30 EIEDMM N#Cc1c(Cl)c(F)cc(C(=O)Nc2ccc(F)c([O-])c2)c1Cl ZINC001189845204 1051076079 /nfs/dbraw/zinc/07/60/79/1051076079.db2.gz HFXZUYIGOJDVNF-UHFFFAOYSA-N -1 1 343.116 4.101 20 30 EIEDMM N#Cc1cc(Br)cc(Nc2c(F)cc([O-])cc2F)c1 ZINC001175096850 1051381038 /nfs/dbraw/zinc/38/10/38/1051381038.db2.gz KIAFOXAIXBHDDN-UHFFFAOYSA-N -1 1 325.112 4.048 20 30 EIEDMM Cc1csc(C(C#N)=C([O-])c2ccc(Br)c(C)c2)n1 ZINC000156204901 1051507333 /nfs/dbraw/zinc/50/73/33/1051507333.db2.gz UCMWGLWTLJYCQQ-LLVKDONJSA-N -1 1 335.226 4.013 20 30 EIEDMM Cc1csc(C(C#N)=C([O-])c2ccc(Br)c(C)c2)n1 ZINC000156205025 1051508054 /nfs/dbraw/zinc/50/80/54/1051508054.db2.gz UCMWGLWTLJYCQQ-NSHDSACASA-N -1 1 335.226 4.013 20 30 EIEDMM CC(C)(C)c1ccc(C(=O)Nc2ccc(F)c(CC#N)c2)c([O-])c1 ZINC001192336232 1051694146 /nfs/dbraw/zinc/69/41/46/1051694146.db2.gz VYZBWLURDLGZSN-UHFFFAOYSA-N -1 1 326.371 4.147 20 30 EIEDMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc([C@H](C)C#N)cc2)c1 ZINC001195156783 1053309978 /nfs/dbraw/zinc/30/99/78/1053309978.db2.gz QERBEFRJSZCCON-CQSZACIVSA-N -1 1 328.437 4.238 20 30 EIEDMM CN(C[C@@H]1CC1(C)C)C(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196315374 1053630489 /nfs/dbraw/zinc/63/04/89/1053630489.db2.gz DBXLCMANJSKFRX-SFHVURJKSA-N -1 1 334.419 4.049 20 30 EIEDMM N#CCCCOc1cccc(/C=C2\CCc3cc([O-])ccc3C2=O)c1 ZINC000102599033 1053724677 /nfs/dbraw/zinc/72/46/77/1053724677.db2.gz DQYDDJKEACPFOP-SFQUDFHCSA-N -1 1 333.387 4.287 20 30 EIEDMM CC(C)(C)c1ccc(NC(=S)Nc2ccc(C#N)cc2[O-])cc1 ZINC001198494557 1054164126 /nfs/dbraw/zinc/16/41/26/1054164126.db2.gz ZMMJUUFRNYYBPF-UHFFFAOYSA-N -1 1 325.437 4.370 20 30 EIEDMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)ccc2C)cc1C#N ZINC001201319654 1054755736 /nfs/dbraw/zinc/75/57/36/1054755736.db2.gz DFAANTNYSAOOHK-UHFFFAOYSA-N -1 1 328.437 4.099 20 30 EIEDMM Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)(C)C)cc1C#N ZINC001201322965 1054757445 /nfs/dbraw/zinc/75/74/45/1054757445.db2.gz VBXXBNIWPKVBMQ-UHFFFAOYSA-N -1 1 342.464 4.273 20 30 EIEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2oc(C(F)F)cc2C)cc1 ZINC000860469735 1054818417 /nfs/dbraw/zinc/81/84/17/1054818417.db2.gz KSLVKPZNTNVSDK-CYBMUJFWSA-N -1 1 346.333 4.049 20 30 EIEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccc(C(F)(F)F)s1 ZINC000671745312 1054901443 /nfs/dbraw/zinc/90/14/43/1054901443.db2.gz MDXBUXWARCZNES-VIFPVBQESA-N -1 1 349.337 4.144 20 30 EIEDMM N#Cc1cccc(OCCCCC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000111666955 1056812416 /nfs/dbraw/zinc/81/24/16/1056812416.db2.gz UKCURTRTLUJDTA-UHFFFAOYSA-N -1 1 344.798 4.105 20 30 EIEDMM CCCOc1ccc(/C=C/C(=O)c2ccc([O-])cc2)cc1OCC ZINC000007718033 1032501345 /nfs/dbraw/zinc/50/13/45/1032501345.db2.gz SVNSUXZXUNULBT-VZUCSPMQSA-N -1 1 326.392 4.476 20 30 EIEDMM COc1sc(/C=C/C(=O)c2ccc([O-])cc2)cc1Br ZINC000160184329 1018805928 /nfs/dbraw/zinc/80/59/28/1018805928.db2.gz HLPHHHWTBSTBFB-VOTSOKGWSA-N -1 1 339.210 4.121 20 30 EIEDMM O=C(/C=C\c1ccccc1OCc1ccccn1)c1ccc([O-])cc1 ZINC000255873716 1021459185 /nfs/dbraw/zinc/45/91/85/1021459185.db2.gz QBGWFVHHHHDJIH-RAXLEYEMSA-N -1 1 331.371 4.262 20 30 EIEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cccc3cnccc32)s1 ZINC000430589868 1023128313 /nfs/dbraw/zinc/12/83/13/1023128313.db2.gz FXJKQIHUSQZAHF-HNNXBMFYSA-N -1 1 335.432 4.479 20 30 EIEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cccc3cnccc32)s1 ZINC000430589870 1023129090 /nfs/dbraw/zinc/12/90/90/1023129090.db2.gz FXJKQIHUSQZAHF-OAHLLOKOSA-N -1 1 335.432 4.479 20 30 EIEDMM CC(C)c1ccc([C@@H](CC(=O)[O-])NCc2ccc(C#N)cc2F)cc1 ZINC000417564621 1023360890 /nfs/dbraw/zinc/36/08/90/1023360890.db2.gz FWLRBGWGBCFXJF-LJQANCHMSA-N -1 1 340.398 4.126 20 30 EIEDMM Cc1nc(NC(=O)c2ccc(C(C)C)cc2[O-])sc1SCC#N ZINC000053650866 1023704532 /nfs/dbraw/zinc/70/45/32/1023704532.db2.gz BUVCNXMVAKJYPA-UHFFFAOYSA-N -1 1 347.465 4.149 20 30 EIEDMM C=CC[C@H](C)NC(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430665046 1023779958 /nfs/dbraw/zinc/77/99/58/1023779958.db2.gz XAPIIFRHZMLYSV-AWEZNQCLSA-N -1 1 348.402 4.015 20 30 EIEDMM CCCOc1c(/C=C/C(=O)c2ccc([O-])cc2)cccc1OCC ZINC000005128169 1025334396 /nfs/dbraw/zinc/33/43/96/1025334396.db2.gz YOWWLPROCYIYDL-JLHYYAGUSA-N -1 1 326.392 4.476 20 30 EIEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cccnc2C2CC2)s1 ZINC000684676648 1025541862 /nfs/dbraw/zinc/54/18/62/1025541862.db2.gz YMOZBQGDIFNXSN-CYBMUJFWSA-N -1 1 325.437 4.203 20 30 EIEDMM C=CC[C@@H](NCc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)[O-] ZINC000426786469 1026562618 /nfs/dbraw/zinc/56/26/18/1026562618.db2.gz VVLSSLJJSMZUBQ-CQSZACIVSA-N -1 1 339.313 4.084 20 30 EIEDMM C=CCN(CCc1ccccc1)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684871527 1026637728 /nfs/dbraw/zinc/63/77/28/1026637728.db2.gz DZHLPTJRWQKRNS-UHFFFAOYSA-N -1 1 349.352 4.282 20 30 EIEDMM CCSCc1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cc1 ZINC000342848284 1027289192 /nfs/dbraw/zinc/28/91/92/1027289192.db2.gz ARSGCAFBPOKEGQ-OAHLLOKOSA-N -1 1 335.432 4.306 20 30 EIEDMM CCOc1cc(-c2noc(-c3ccc(C#N)cc3)n2)cc(Cl)c1[O-] ZINC000445410543 1028506126 /nfs/dbraw/zinc/50/61/26/1028506126.db2.gz IZEXPESBMWVWEQ-UHFFFAOYSA-N -1 1 341.754 4.033 20 30 EIEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccccc2Nc2ccccc2)c1 ZINC000440814197 1028800924 /nfs/dbraw/zinc/80/09/24/1028800924.db2.gz CRYDQGYLQNFFIK-UHFFFAOYSA-N -1 1 349.415 4.103 20 30 EIEDMM N#Cc1ccccc1Oc1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000065680112 1030041589 /nfs/dbraw/zinc/04/15/89/1030041589.db2.gz HWSCXAOAXCKCKX-UHFFFAOYSA-N -1 1 330.343 4.308 20 30 EIEDMM CC(C)OCc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647375897 1030892828 /nfs/dbraw/zinc/89/28/28/1030892828.db2.gz IVEIJLNDKABZAE-MRXNPFEDSA-N -1 1 340.448 4.436 20 30 EIEDMM Cn1cc2cccc(CNc3cc(/C=N/[O-])cc(C(F)(F)F)c3)c2n1 ZINC001168200746 1031107687 /nfs/dbraw/zinc/10/76/87/1031107687.db2.gz PKRXCWSFJPTXSA-GZIVZEMBSA-N -1 1 348.328 4.012 20 30 EIEDMM COc1cc(/C=C\C(=O)c2cccc([N+](=O)[O-])c2C)cc(Cl)c1[O-] ZINC000255776346 1031140438 /nfs/dbraw/zinc/14/04/38/1031140438.db2.gz VHKBPOLCXSGDBI-SREVYHEPSA-N -1 1 347.754 4.167 20 30 EIEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccn(C)c2C2CCC2)n1 ZINC000345554135 1035250538 /nfs/dbraw/zinc/25/05/38/1035250538.db2.gz BIPLMEJFVOIVLM-AWEZNQCLSA-N -1 1 327.453 4.363 20 30 EIEDMM O=C(/C=C/c1csc(-c2ccsc2)n1)c1cc(O)ccc1[O-] ZINC000156650268 1036099723 /nfs/dbraw/zinc/09/97/23/1036099723.db2.gz XZLNWATVLAXFID-HNQUOIGGSA-N -1 1 329.402 4.179 20 30 EIEDMM N#CCCC[C@H](NC(=O)Cc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000601598109 1036165284 /nfs/dbraw/zinc/16/52/84/1036165284.db2.gz JFSGDMHKILTFEY-KRWDZBQOSA-N -1 1 342.826 4.139 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(CCC(F)(F)F)cc2)c1 ZINC000589189010 1036703226 /nfs/dbraw/zinc/70/32/26/1036703226.db2.gz WZTXKNGROOVBPI-UHFFFAOYSA-N -1 1 334.297 4.011 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)Nc2ncc(C3CCCCC3)s2)c1 ZINC000589199881 1036707740 /nfs/dbraw/zinc/70/77/40/1036707740.db2.gz RHIAOBSFJQMKNY-UHFFFAOYSA-N -1 1 327.409 4.020 20 30 EIEDMM N#CC(=C([O-])c1ccc(OC(F)F)cc1)c1nc2ccccc2s1 ZINC000046442435 1038207329 /nfs/dbraw/zinc/20/73/29/1038207329.db2.gz JXDUDRVTQHYABD-LBPRGKRZSA-N -1 1 344.342 4.388 20 30 EIEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000063878569 1038865670 /nfs/dbraw/zinc/86/56/70/1038865670.db2.gz BZEQBZBXJUMOHG-UHFFFAOYSA-N -1 1 348.427 4.335 20 30 EIEDMM CCOc1cc(/C=C2\Oc3ccc(F)cc3C2=O)cc(Cl)c1[O-] ZINC000749747124 1040282309 /nfs/dbraw/zinc/28/23/09/1040282309.db2.gz VVYZPBHZDKNMSB-CHHVJCJISA-N -1 1 334.730 4.200 20 30 EIEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Cl)cc1Cl ZINC000442907834 1040402980 /nfs/dbraw/zinc/40/29/80/1040402980.db2.gz YWUKFUTTZKKQAG-SECBINFHSA-N -1 1 335.190 4.062 20 30 EIEDMM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(Cl)cc1[O-] ZINC000436640486 1041400404 /nfs/dbraw/zinc/40/04/04/1041400404.db2.gz IJGSUKVBRHDCHE-UHFFFAOYSA-N -1 1 347.846 4.042 20 30 EIEDMM N#Cc1cccc(Oc2ccc(NC(=O)c3ccccc3[O-])cc2)c1 ZINC000436694571 1041426866 /nfs/dbraw/zinc/42/68/66/1041426866.db2.gz AXNMXFURCYNXSN-UHFFFAOYSA-N -1 1 330.343 4.308 20 30 EIEDMM N#Cc1ccc(C(=O)N2CCC[C@H]2c2cccc3ccccc32)cc1[O-] ZINC000443332721 1041428330 /nfs/dbraw/zinc/42/83/30/1041428330.db2.gz YGGHKVVETAGBPP-FQEVSTJZSA-N -1 1 342.398 4.394 20 30 EIEDMM N#Cc1ccc(C2(c3nc(-c4ccc([O-])cc4Cl)no3)CC2)cc1 ZINC000436872751 1041531188 /nfs/dbraw/zinc/53/11/88/1041531188.db2.gz NMEKURIVWRKORG-UHFFFAOYSA-N -1 1 337.766 4.047 20 30 EIEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1nc3ccc(F)cc3s1)O2 ZINC000761476994 1042617960 /nfs/dbraw/zinc/61/79/60/1042617960.db2.gz LCGKNOJCOAVJTP-NTUHNPAUSA-N -1 1 327.336 4.066 20 30 EIEDMM Cc1cccc(S(=O)(=O)[N-]c2ccccc2SC[C@H](C)C#N)c1 ZINC000170975806 1042883171 /nfs/dbraw/zinc/88/31/71/1042883171.db2.gz VFANDQHPCHRJJL-CQSZACIVSA-N -1 1 346.477 4.048 20 30 EIEDMM CCC(CC)CN=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000727058680 1043126045 /nfs/dbraw/zinc/12/60/45/1043126045.db2.gz UQDFRAWIKAPFSO-UHFFFAOYSA-N -1 1 345.468 4.321 20 30 EIEDMM [O-]c1ccc(C=NNc2ccc(OCC(F)(F)F)cc2)cc1Cl ZINC000727258063 1043174317 /nfs/dbraw/zinc/17/43/17/1043174317.db2.gz ROBAJZQINVSWDK-UHFFFAOYSA-N -1 1 344.720 4.433 20 30 EIEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)C1(c2cccc(F)c2)CCCC1 ZINC000076946884 1043182335 /nfs/dbraw/zinc/18/23/35/1043182335.db2.gz ROYDINOMJQJMMJ-UHFFFAOYSA-N -1 1 342.296 4.063 20 30 EIEDMM Cc1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)sc1Cl ZINC000231808403 1043280794 /nfs/dbraw/zinc/28/07/94/1043280794.db2.gz XRFHNOCNOASZER-UHFFFAOYSA-N -1 1 347.248 4.036 20 30 EIEDMM CC(=NNCc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1[O-] ZINC000727778520 1043285154 /nfs/dbraw/zinc/28/51/54/1043285154.db2.gz KVMSPEOPJKDXBX-UHFFFAOYSA-N -1 1 326.293 4.064 20 30 EIEDMM N#Cc1ccsc1C(=O)[N-]c1nnc(-c2ccc(Cl)cc2)s1 ZINC000134249259 1043365626 /nfs/dbraw/zinc/36/56/26/1043365626.db2.gz IRHWOUNEOZCQRO-UHFFFAOYSA-N -1 1 346.824 4.044 20 30 EIEDMM N#Cc1ccc(Br)c(Nc2cc(F)cc(F)c2[O-])c1 ZINC001212491759 1043613036 /nfs/dbraw/zinc/61/30/36/1043613036.db2.gz ZPKBNAIQJXIXEA-UHFFFAOYSA-N -1 1 325.112 4.048 20 30 EIEDMM COc1cc(C)c(C(=O)/C=C\c2ccc([O-])c(Cl)c2)cc1OC ZINC000731320382 1043731369 /nfs/dbraw/zinc/73/13/69/1043731369.db2.gz WSKSNXJSOVZJJS-XQRVVYSFSA-N -1 1 332.783 4.267 20 30 EIEDMM O=C1c2ccc([O-])cc2O/C1=C/c1ccc(OC(F)F)c(Cl)c1 ZINC000731489421 1043766452 /nfs/dbraw/zinc/76/64/52/1043766452.db2.gz GWYKADVYVIRGFU-MKMNVTDBSA-N -1 1 338.693 4.263 20 30 EIEDMM Cc1csc([N-]C(=O)c2coc(-c3c(F)cccc3F)n2)c1C#N ZINC001128751774 1043768021 /nfs/dbraw/zinc/76/80/21/1043768021.db2.gz SKYWKUDZBBXXSV-UHFFFAOYSA-N -1 1 345.330 4.114 20 30 EIEDMM C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442866832 1043869320 /nfs/dbraw/zinc/86/93/20/1043869320.db2.gz MWKDNZADYNZLOQ-JTQLQIEISA-N -1 1 349.217 4.404 20 30 EIEDMM N#CCc1ccccc1[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000193359961 1044043792 /nfs/dbraw/zinc/04/37/92/1044043792.db2.gz ZMKSPFOILDEUPD-UHFFFAOYSA-N -1 1 348.427 4.220 20 30 EIEDMM O=C1c2ccc([O-])cc2O/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000733805989 1044311485 /nfs/dbraw/zinc/31/14/85/1044311485.db2.gz SZYVATWDANIGDT-VCHYOVAHSA-N -1 1 349.298 4.177 20 30 EIEDMM Fc1c(F)c(F)c([N-][C@@H](c2ccccn2)C(F)(F)F)c(F)c1F ZINC001168477472 1044682744 /nfs/dbraw/zinc/68/27/44/1044682744.db2.gz CLQZRXCNIAQCCV-LBPRGKRZSA-N -1 1 342.189 4.493 20 30 EIEDMM CSc1cccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)c1 ZINC000509089395 1045099006 /nfs/dbraw/zinc/09/90/06/1045099006.db2.gz KXSDYSGCIXMQNU-UHFFFAOYSA-N -1 1 346.477 4.010 20 30 EIEDMM C=CCC[C@@H](C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccccc1 ZINC000429070320 1045104283 /nfs/dbraw/zinc/10/42/83/1045104283.db2.gz UVRUWHLPSCCQCW-GOSISDBHSA-N -1 1 347.418 4.471 20 30 EIEDMM O=C(/C=C\c1ccc([O-])c(Br)c1)c1ccc(F)cc1F ZINC000213203406 1045366341 /nfs/dbraw/zinc/36/63/41/1045366341.db2.gz QKRWTKIHQWPGIM-KTAJNNJTSA-N -1 1 339.135 4.329 20 30 EIEDMM N#Cc1cc(Cl)nc(N=NCc2cc(Cl)c([O-])cc2Cl)c1 ZINC000768381022 1045804263 /nfs/dbraw/zinc/80/42/63/1045804263.db2.gz UHPVNPJBMKGQGA-UHFFFAOYSA-N -1 1 341.585 4.065 20 30 EIEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C\c2cccc(-c3cccnc3)c2)c1 ZINC000768491025 1045814587 /nfs/dbraw/zinc/81/45/87/1045814587.db2.gz WWMSUICRNXULHC-VURMDHGXSA-N -1 1 345.354 4.049 20 30 EIEDMM N#Cc1ccc(Nc2ccc([O-])c(F)c2F)c(OC(F)(F)F)c1 ZINC001212007549 1045826900 /nfs/dbraw/zinc/82/69/00/1045826900.db2.gz MQGCRLWMXPRPGJ-UHFFFAOYSA-N -1 1 330.212 4.184 20 30 EIEDMM N#Cc1cc(Nc2ccc([O-])c(F)c2F)c(Br)cc1F ZINC001212010816 1045832133 /nfs/dbraw/zinc/83/21/33/1045832133.db2.gz AJWCWCCNNIXFSP-UHFFFAOYSA-N -1 1 343.102 4.187 20 30 EIEDMM CC(C)Cc1ccccc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000792100406 1045856402 /nfs/dbraw/zinc/85/64/02/1045856402.db2.gz NHIJBYUJCHYIPF-QGZVFWFLSA-N -1 1 329.403 4.318 20 30 EIEDMM COc1cccc(-c2nc(/C=C\C(=O)c3ccc([O-])cc3)cs2)c1 ZINC000916134786 1045924504 /nfs/dbraw/zinc/92/45/04/1045924504.db2.gz AAMZWEAILHBGLM-YFHOEESVSA-N -1 1 337.400 4.420 20 30 EIEDMM Cc1ccc(C(=O)[O-])cc1C(C)N=Nc1ccc([N+](=O)[O-])cc1Cl ZINC000788426811 1047181478 /nfs/dbraw/zinc/18/14/78/1047181478.db2.gz ALYBATNCARREJD-UHFFFAOYSA-N -1 1 347.758 4.091 20 30 EIEDMM CCc1c(C)sc([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])c1C#N ZINC000110280792 1047285832 /nfs/dbraw/zinc/28/58/32/1047285832.db2.gz MQOOBLYNVLTOID-UHFFFAOYSA-N -1 1 349.799 4.305 20 30 EIEDMM N#CCCN(Cc1ccc(Cl)cc1)Cc1cc(F)c(F)cc1[O-] ZINC001142527199 1047526949 /nfs/dbraw/zinc/52/69/49/1047526949.db2.gz NZCQLSHESYNUAP-UHFFFAOYSA-N -1 1 336.769 4.240 20 30 EIEDMM C[C@@H]1CCC(N=Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000814829730 1048187806 /nfs/dbraw/zinc/18/78/06/1048187806.db2.gz HOFHHPXXIBGXQR-CQSZACIVSA-N -1 1 343.452 4.075 20 30 EIEDMM N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(F)c([O-])c3)c2)cc1 ZINC001144840429 1048867705 /nfs/dbraw/zinc/86/77/05/1048867705.db2.gz QFEJGGAYOOTCQR-UHFFFAOYSA-N -1 1 348.333 4.448 20 30 EIEDMM [O-]c1ccc(C=NNc2ccccc2Br)cc1Cl ZINC000921257473 1048893526 /nfs/dbraw/zinc/89/35/26/1048893526.db2.gz CEIUOMTULOPANN-UHFFFAOYSA-N -1 1 325.593 4.254 20 30 EIEDMM N#Cc1ccc(-c2ccccc2NC(=O)c2ccc([O-])c(F)c2)cc1 ZINC001186225402 1050263720 /nfs/dbraw/zinc/26/37/20/1050263720.db2.gz BUVFLOURZOVFGR-UHFFFAOYSA-N -1 1 332.334 4.322 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)N2CCCC[C@@H]2c2cccc(Cl)c2)c1 ZINC000618286818 1050327864 /nfs/dbraw/zinc/32/78/64/1050327864.db2.gz LPVQNLBYXHYZMF-GOSISDBHSA-N -1 1 340.810 4.285 20 30 EIEDMM N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cccc([O-])c1F ZINC000182495802 1050704410 /nfs/dbraw/zinc/70/44/10/1050704410.db2.gz CDSOGWXFYGMJFY-UHFFFAOYSA-N -1 1 348.333 4.448 20 30 EIEDMM N#CC(=C([O-])c1cccn1Cc1ccccc1)c1nc2ccccc2o1 ZINC000619753775 1050883862 /nfs/dbraw/zinc/88/38/62/1050883862.db2.gz COOBHCMYWBJYIS-INIZCTEOSA-N -1 1 341.370 4.168 20 30 EIEDMM CC(C)c1cc(C(=O)[N-]c2ccccc2SC[C@@H](C)C#N)on1 ZINC000070859317 1050918259 /nfs/dbraw/zinc/91/82/59/1050918259.db2.gz LLCDBTKQQWWJFJ-LBPRGKRZSA-N -1 1 329.425 4.302 20 30 EIEDMM N#Cc1ccc(NC(=O)[C@H](Cc2ccccc2)c2ccccc2)c([O-])c1 ZINC001181833148 1051324298 /nfs/dbraw/zinc/32/42/98/1051324298.db2.gz ZPFSZLJZAACYLD-LJQANCHMSA-N -1 1 342.398 4.229 20 30 EIEDMM N#Cc1c(Br)cccc1Nc1c(F)ccc([O-])c1F ZINC001175268657 1051502644 /nfs/dbraw/zinc/50/26/44/1051502644.db2.gz PBZCMDGUZMDVDO-UHFFFAOYSA-N -1 1 325.112 4.048 20 30 EIEDMM CC(C)(C)c1ccc(C(=O)Nc2ccc(C(C)(C)C#N)nc2)c([O-])c1 ZINC001192313667 1051690081 /nfs/dbraw/zinc/69/00/81/1051690081.db2.gz GUOCQNILGZAGOH-UHFFFAOYSA-N -1 1 337.423 4.138 20 30 EIEDMM CC#CCCCCCCCC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001182769770 1051705776 /nfs/dbraw/zinc/70/57/76/1051705776.db2.gz UCOXDQKOCPNPTQ-UHFFFAOYSA-N -1 1 339.439 4.270 20 30 EIEDMM CCCCCSc1ncccc1C(=O)Nc1ccc(C#N)cc1[O-] ZINC001192588561 1051770397 /nfs/dbraw/zinc/77/03/97/1051770397.db2.gz HIMBRXLCAVFWBC-UHFFFAOYSA-N -1 1 341.436 4.193 20 30 EIEDMM CCCCCCCCOC(=O)Nc1cc2ccc([O-])cc2oc1=O ZINC001194734962 1053075675 /nfs/dbraw/zinc/07/56/75/1053075675.db2.gz AZZQCQNFRDVWSB-UHFFFAOYSA-N -1 1 333.384 4.408 20 30 EIEDMM N#Cc1c([N-]C(=O)c2ncnc(Cl)c2Cl)sc2ccccc12 ZINC001195017764 1053248229 /nfs/dbraw/zinc/24/82/29/1053248229.db2.gz MSZUKTVFKLUOIJ-UHFFFAOYSA-N -1 1 349.202 4.122 20 30 EIEDMM O=S(=O)([N-]c1ccccc1)c1ccc(N=NCC2CCCC2)cc1 ZINC000741839382 1053260890 /nfs/dbraw/zinc/26/08/90/1053260890.db2.gz FLEHBJXPOGCETR-UHFFFAOYSA-N -1 1 343.452 4.075 20 30 EIEDMM N#CC(=C([O-])c1csc(-c2ccc(Cl)cc2)c1)c1ccncn1 ZINC000429505416 1053343087 /nfs/dbraw/zinc/34/30/87/1053343087.db2.gz RHHQXZAUFJAXIO-AWEZNQCLSA-N -1 1 339.807 4.349 20 30 EIEDMM N#Cc1c([N-]C(=O)c2c(F)ccnc2F)sc2c1CCCCCC2 ZINC000888304863 1053584900 /nfs/dbraw/zinc/58/49/00/1053584900.db2.gz MVKMBBOLJRPDGT-UHFFFAOYSA-N -1 1 347.390 4.204 20 30 EIEDMM C[C@@H]1CCCCN(C(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)C1 ZINC001196309211 1053628190 /nfs/dbraw/zinc/62/81/90/1053628190.db2.gz QJERNDGZMCQGBA-OAHLLOKOSA-N -1 1 334.419 4.193 20 30 EIEDMM O=C1c2ccc(O)cc2CC/C1=C/c1ccc([O-])c(Br)c1 ZINC000206809236 1053844632 /nfs/dbraw/zinc/84/46/32/1053844632.db2.gz YPBQGKCLCAADTM-GHXNOFRVSA-N -1 1 345.192 4.073 20 30 EIEDMM N#Cc1cccc2c([N-]S(=O)(=O)c3ccc4occc4c3)cccc12 ZINC001198858962 1054284271 /nfs/dbraw/zinc/28/42/71/1054284271.db2.gz NQDDSOYSGTXDPK-UHFFFAOYSA-N -1 1 348.383 4.258 20 30 EIEDMM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc3occc3c2)cc1 ZINC001198861267 1054286418 /nfs/dbraw/zinc/28/64/18/1054286418.db2.gz ILSHXFJUVYIKSQ-UHFFFAOYSA-N -1 1 340.404 4.035 20 30 EIEDMM N#Cc1ccc(NC(=S)Nc2cc(Cl)cc(Cl)c2)c([O-])c1 ZINC001200998254 1054621189 /nfs/dbraw/zinc/62/11/89/1054621189.db2.gz WATUEUCIEUQVKI-UHFFFAOYSA-N -1 1 338.219 4.380 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc3c(c2)oc2ccccc23)c1 ZINC000776332404 1055200531 /nfs/dbraw/zinc/20/05/31/1055200531.db2.gz DLCRSARZRYJNGJ-UHFFFAOYSA-N -1 1 328.327 4.416 20 30 EIEDMM N#CC(=C([O-])c1ccc2ncccc2c1)c1nc2ccccc2s1 ZINC000340212886 1020636913 /nfs/dbraw/zinc/63/69/13/1020636913.db2.gz BBBRDCGGZSXAPJ-AWEZNQCLSA-N -1 1 329.384 4.335 20 30 EIEDMM Cc1noc(C(F)F)c1C(=O)[N-]c1ccccc1SCCC#N ZINC000610431525 1021874057 /nfs/dbraw/zinc/87/40/57/1021874057.db2.gz XYACMWLQZWUWGV-UHFFFAOYSA-N -1 1 337.351 4.179 20 30 EIEDMM COc1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cc1F ZINC000430592392 1023145587 /nfs/dbraw/zinc/14/55/87/1023145587.db2.gz GYGSZPRYUKLWMN-NSHDSACASA-N -1 1 332.400 4.078 20 30 EIEDMM N#CC(=C([O-])c1csc(Cl)c1)c1cc(C(F)(F)F)ccn1 ZINC000362175361 1023299652 /nfs/dbraw/zinc/29/96/52/1023299652.db2.gz ABEKAJLYXLXFEN-VIFPVBQESA-N -1 1 330.718 4.305 20 30 EIEDMM COc1ccc([O-])c(C(=O)/C=C/c2ccc(OC(F)F)c(F)c2)c1 ZINC000754690389 1023306827 /nfs/dbraw/zinc/30/68/27/1023306827.db2.gz UBHJTSCMZAFCFG-GORDUTHDSA-N -1 1 338.281 4.037 20 30 EIEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccnc3ccccc32)s1 ZINC000430610092 1023354954 /nfs/dbraw/zinc/35/49/54/1023354954.db2.gz JTJJTLBOTMVMCD-CQSZACIVSA-N -1 1 335.432 4.479 20 30 EIEDMM C=CCCS(=O)(=O)[N-]c1ccccc1-c1nc2ccccc2s1 ZINC000472789848 1023586899 /nfs/dbraw/zinc/58/68/99/1023586899.db2.gz MEWZKOXLKCNCKP-UHFFFAOYSA-N -1 1 344.461 4.281 20 30 EIEDMM C=CC[C@@H](C)NC(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430665047 1023779286 /nfs/dbraw/zinc/77/92/86/1023779286.db2.gz XAPIIFRHZMLYSV-CQSZACIVSA-N -1 1 348.402 4.015 20 30 EIEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000431187516 1024818422 /nfs/dbraw/zinc/81/84/22/1024818422.db2.gz PMUDXDORRDOTKC-UHFFFAOYSA-N -1 1 348.427 4.335 20 30 EIEDMM Cc1csc(C(C#N)=C([O-])c2cc(Br)ccc2C)n1 ZINC000076763853 1027093365 /nfs/dbraw/zinc/09/33/65/1027093365.db2.gz GAUNFMQJOHANER-LBPRGKRZSA-N -1 1 335.226 4.013 20 30 EIEDMM O=C(/C=C/c1ccc([O-])c(Cl)c1)c1ncc(Br)s1 ZINC000179092997 1027670721 /nfs/dbraw/zinc/67/07/21/1027670721.db2.gz ZEPHFFUXNOJXFL-DUXPYHPUSA-N -1 1 344.617 4.161 20 30 EIEDMM Cc1csc(C(C#N)=C([O-])c2ccc(N(C)c3ccccc3)nc2)n1 ZINC000181390598 1029895118 /nfs/dbraw/zinc/89/51/18/1029895118.db2.gz ZIAIZCKCYGQGDN-MRXNPFEDSA-N -1 1 348.431 4.105 20 30 EIEDMM CSc1ccc(C)c(C([O-])=C(C#N)c2nc3ccccc3n2C)c1 ZINC000122141811 1030679351 /nfs/dbraw/zinc/67/93/51/1030679351.db2.gz BTYYAYKGEGSGKG-HNNXBMFYSA-N -1 1 335.432 4.094 20 30 EIEDMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1 ZINC000145494557 1030797984 /nfs/dbraw/zinc/79/79/84/1030797984.db2.gz NZWLJBRJUMIQPL-UHFFFAOYSA-N -1 1 342.464 4.241 20 30 EIEDMM Cc1csc(C(C#N)=C([O-])c2ccccc2-c2ccccc2C#N)n1 ZINC000041516896 1031498891 /nfs/dbraw/zinc/49/88/91/1031498891.db2.gz UBIHJKULHNYAHH-GOSISDBHSA-N -1 1 343.411 4.480 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)N2Cc3ccccc3-c3ccccc3C2)c1 ZINC000614368435 1034474523 /nfs/dbraw/zinc/47/45/23/1034474523.db2.gz PFHJUXZLCURGQY-UHFFFAOYSA-N -1 1 340.382 4.087 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)N2CCCCC[C@H]2/C=C\c2ccccc2)c1 ZINC000614375143 1034489234 /nfs/dbraw/zinc/48/92/34/1034489234.db2.gz FUORIFRSJUSBPW-PISNEZEASA-N -1 1 346.430 4.362 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)N2CCCCC[C@@H]2/C=C/c2ccccc2)c1 ZINC000614375141 1034491249 /nfs/dbraw/zinc/49/12/49/1034491249.db2.gz FUORIFRSJUSBPW-CTDFXDFQSA-N -1 1 346.430 4.362 20 30 EIEDMM CC(C)c1nc2ccc(NC(=O)c3cc([O-])cc(C#N)c3)cc2s1 ZINC000589172039 1036680852 /nfs/dbraw/zinc/68/08/52/1036680852.db2.gz RGLBIPNTNRZXJA-UHFFFAOYSA-N -1 1 337.404 4.249 20 30 EIEDMM CN(Cc1ccccc1-c1ccccc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589175140 1036686977 /nfs/dbraw/zinc/68/69/77/1036686977.db2.gz DEPDIXMVMKFZLM-UHFFFAOYSA-N -1 1 342.398 4.203 20 30 EIEDMM CC(C)[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccccc1Cl ZINC000589184436 1036699286 /nfs/dbraw/zinc/69/92/86/1036699286.db2.gz LDUBMVBRHYKFJH-QGZVFWFLSA-N -1 1 328.799 4.044 20 30 EIEDMM CC(C)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000515621606 1040905137 /nfs/dbraw/zinc/90/51/37/1040905137.db2.gz TVZKXQCZBFZSJG-UHFFFAOYSA-N -1 1 334.828 4.136 20 30 EIEDMM N#CCC[C@H](NC(=O)c1cc2ccccc2cc1[O-])c1ccccc1 ZINC000436599721 1041357859 /nfs/dbraw/zinc/35/78/59/1041357859.db2.gz BWXNVIYRYTVXFH-IBGZPJMESA-N -1 1 330.387 4.320 20 30 EIEDMM C[C@@H](c1nc(-c2ccc([O-])cc2Cl)no1)c1cccc(C#N)c1 ZINC000436653777 1041395387 /nfs/dbraw/zinc/39/53/87/1041395387.db2.gz BIGPGZHPQIFUMR-SNVBAGLBSA-N -1 1 325.755 4.119 20 30 EIEDMM N#Cc1cccc(COc2ccc(NC(=O)c3ccccc3[O-])cc2)c1 ZINC000436652281 1041395963 /nfs/dbraw/zinc/39/59/63/1041395963.db2.gz LNAQJJVKSPOZAW-UHFFFAOYSA-N -1 1 344.370 4.095 20 30 EIEDMM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(Cl)ccc1[O-] ZINC000436640779 1041399878 /nfs/dbraw/zinc/39/98/78/1041399878.db2.gz JQKKXMQCDWXKCY-UHFFFAOYSA-N -1 1 347.846 4.042 20 30 EIEDMM N#CC[C@H](Cc1nc(-c2ccc([O-])cc2Cl)no1)c1ccccc1 ZINC000436875188 1041532926 /nfs/dbraw/zinc/53/29/26/1041532926.db2.gz XEZDIMZYPMKEAK-CYBMUJFWSA-N -1 1 339.782 4.336 20 30 EIEDMM O=[N+]([O-])c1ccc(NN=Cc2ccc([O-])c(Cl)c2)c(Cl)c1 ZINC000727649213 1043257400 /nfs/dbraw/zinc/25/74/00/1043257400.db2.gz BGTUSXHLNVBLNW-UHFFFAOYSA-N -1 1 326.139 4.053 20 30 EIEDMM C=CCCC1(C[N-]S(=O)(=O)c2ccc(C(F)F)o2)CCCC1 ZINC001212482983 1043447063 /nfs/dbraw/zinc/44/70/63/1043447063.db2.gz NRPWGVWGMFRHSD-UHFFFAOYSA-N -1 1 333.400 4.022 20 30 EIEDMM C[C@H](CNC(=O)c1ccc(C#N)c([O-])c1)c1c(Cl)cccc1Cl ZINC000442968217 1043929041 /nfs/dbraw/zinc/92/90/41/1043929041.db2.gz PJOOAYHRMKJUBD-SNVBAGLBSA-N -1 1 349.217 4.104 20 30 EIEDMM CC(C)c1ccc(C[C@H]2CCN(C(=O)c3ccc(C#N)c([O-])c3)C2)cc1 ZINC000443132690 1044045527 /nfs/dbraw/zinc/04/55/27/1044045527.db2.gz TYZJVBYCDAHCQL-QGZVFWFLSA-N -1 1 348.446 4.092 20 30 EIEDMM C=CCCc1ccccc1[N-]S(=O)(=O)c1cccc(OCC)c1 ZINC000443421492 1044274029 /nfs/dbraw/zinc/27/40/29/1044274029.db2.gz YGEKSMPYKYGAGY-UHFFFAOYSA-N -1 1 331.437 4.005 20 30 EIEDMM CCC(N=Nc1ccc(C(=O)[O-])cc1)c1cc(Cl)ccc1OC ZINC000736428591 1044939933 /nfs/dbraw/zinc/93/99/33/1044939933.db2.gz JJZZLNLWXJXSRG-UHFFFAOYSA-N -1 1 332.787 4.273 20 30 EIEDMM CC1(CN=Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CCC1 ZINC000766011349 1045116759 /nfs/dbraw/zinc/11/67/59/1045116759.db2.gz FYNSGMUXQUDDAR-UHFFFAOYSA-N -1 1 343.452 4.075 20 30 EIEDMM [O-]c1ccc(C=NNc2ccc(Cl)cc2)cc1Br ZINC000916246555 1045968790 /nfs/dbraw/zinc/96/87/90/1045968790.db2.gz CPANTLKDDNFXTM-UHFFFAOYSA-N -1 1 325.593 4.254 20 30 EIEDMM CC(C)CC(CC(C)C)=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000769810825 1046079027 /nfs/dbraw/zinc/07/90/27/1046079027.db2.gz UGAQIARRAZSLNU-UHFFFAOYSA-N -1 1 346.479 4.147 20 30 EIEDMM O=C(/C=C\c1cc(C(F)(F)F)ccc1F)c1cc(O)ccc1[O-] ZINC000757467174 1046190372 /nfs/dbraw/zinc/19/03/72/1046190372.db2.gz BNJKHGLISUKYDO-KTAJNNJTSA-N -1 1 326.245 4.152 20 30 EIEDMM N#CC(=C([O-])C=Cc1ccc(-c2ccc(F)cc2)s1)c1ccncn1 ZINC000760341704 1047330903 /nfs/dbraw/zinc/33/09/03/1047330903.db2.gz TXMKHCJPMMCVER-BIENSFFJSA-N -1 1 349.390 4.234 20 30 EIEDMM Cc1sc2ncnc(N=NCc3cccc([O-])c3Cl)c2c1C ZINC000814725822 1048136390 /nfs/dbraw/zinc/13/63/90/1048136390.db2.gz CXYDFBNWTLFGKJ-UHFFFAOYSA-N -1 1 332.816 4.113 20 30 EIEDMM [O-]c1cccc(C=NNc2ccc(Br)cc2)c1Cl ZINC000814796064 1048172232 /nfs/dbraw/zinc/17/22/32/1048172232.db2.gz MXJYYESRCUEZEM-UHFFFAOYSA-N -1 1 325.593 4.254 20 30 EIEDMM [O-]c1cccc(C=NNc2ccc(OCC(F)(F)F)cc2)c1Cl ZINC000814830810 1048191186 /nfs/dbraw/zinc/19/11/86/1048191186.db2.gz SULCVJROFXADND-UHFFFAOYSA-N -1 1 344.720 4.433 20 30 EIEDMM O=[N+]([O-])c1ccc(NN=Cc2cccc([O-])c2Cl)c(Cl)c1 ZINC000814832861 1048193925 /nfs/dbraw/zinc/19/39/25/1048193925.db2.gz PSUJDPUXAJNAFW-UHFFFAOYSA-N -1 1 326.139 4.053 20 30 EIEDMM Cc1c2cc(C#N)ccc2sc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000816426722 1048802330 /nfs/dbraw/zinc/80/23/30/1048802330.db2.gz UHTZUGGATHOMME-UHFFFAOYSA-N -1 1 343.795 4.088 20 30 EIEDMM Cc1c(C(=O)/C=C/c2ccc([O-])c(Cl)c2)cnn1-c1ccccc1 ZINC000921266604 1048897976 /nfs/dbraw/zinc/89/79/76/1048897976.db2.gz ZUPGEUIEXXCBFM-VQHVLOKHSA-N -1 1 338.794 4.436 20 30 EIEDMM N#Cc1ccc(C(=O)NCCc2ccc(C3CCCCC3)cc2)cc1[O-] ZINC001147159927 1049092927 /nfs/dbraw/zinc/09/29/27/1049092927.db2.gz DOKMUQAGNMSRIN-UHFFFAOYSA-N -1 1 348.446 4.284 20 30 EIEDMM Cc1ccc(C(C)C)c(OCC(=O)Nc2nc(-c3ccco3)n[nH]2)c1 ZINC000078868635 1049295352 /nfs/dbraw/zinc/29/53/52/1049295352.db2.gz SZAUMHZAPCFRCG-UHFFFAOYSA-N -1 1 340.383 4.164 20 30 EIEDMM CN1c2ccccc2C(C)(C)C1C=CN=Nc1ccccc1C(=O)[O-] ZINC000812442511 1049469822 /nfs/dbraw/zinc/46/98/22/1049469822.db2.gz DZRDCRXNEHEZMT-WKVOYQFPSA-N -1 1 335.407 4.094 20 30 EIEDMM CCCCN(C(=O)c1ccc(C#N)c([O-])c1)[C@H](C)c1ccc(C)o1 ZINC000615476320 1049691762 /nfs/dbraw/zinc/69/17/62/1049691762.db2.gz RWGBAXPSIMOKMN-CQSZACIVSA-N -1 1 326.396 4.169 20 30 EIEDMM N#CC(=C([O-])c1cccn1Cc1ccccc1)c1nc2ccccc2o1 ZINC000619753776 1050883542 /nfs/dbraw/zinc/88/35/42/1050883542.db2.gz COOBHCMYWBJYIS-MRXNPFEDSA-N -1 1 341.370 4.168 20 30 EIEDMM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1csc(-c2cccs2)n1 ZINC001190575201 1051221118 /nfs/dbraw/zinc/22/11/18/1051221118.db2.gz RTOWBIUNPGTOQB-UHFFFAOYSA-N -1 1 347.371 4.274 20 30 EIEDMM C[Si](C)(C)C#Cc1cccc(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC001192539442 1051763030 /nfs/dbraw/zinc/76/30/30/1051763030.db2.gz IUYXOPZTEWHUNQ-UHFFFAOYSA-N -1 1 345.421 4.152 20 30 EIEDMM CC(C)(CC(=O)Nc1ccc(C#N)cc1[O-])c1ccccc1Cl ZINC001183880937 1051912565 /nfs/dbraw/zinc/91/25/65/1051912565.db2.gz MZHCAAJMQHHHBB-UHFFFAOYSA-N -1 1 328.799 4.224 20 30 EIEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(C)c2)c2ccccc12 ZINC001193865315 1052019666 /nfs/dbraw/zinc/01/96/66/1052019666.db2.gz YPKAWQFPGWLEKQ-UHFFFAOYSA-N -1 1 336.416 4.129 20 30 EIEDMM CC(C)c1cc(C(=O)[N-]c2sc3c(c2C#N)CC[C@H](C)C3)on1 ZINC000072644700 1052538484 /nfs/dbraw/zinc/53/84/84/1052538484.db2.gz CHHONJKXIISCAR-JTQLQIEISA-N -1 1 329.425 4.108 20 30 EIEDMM C=CC[C@@H](Cc1ccccc1)NC(=O)c1cc2ccccc2cc1[O-] ZINC001299259982 1052805963 /nfs/dbraw/zinc/80/59/63/1052805963.db2.gz PUHOCHBUAAVKRT-IBGZPJMESA-N -1 1 331.415 4.463 20 30 EIEDMM Cc1cc(C#N)cc(C)c1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC001195156429 1053308182 /nfs/dbraw/zinc/30/81/82/1053308182.db2.gz MDPUFGKGKPHXJH-UHFFFAOYSA-N -1 1 328.437 4.099 20 30 EIEDMM O=C(/C=C/c1c(Cl)nc2cc(Cl)ccn12)c1ccc([O-])cc1 ZINC000794692166 1053314366 /nfs/dbraw/zinc/31/43/66/1053314366.db2.gz STAMJKATRUHPPQ-AATRIKPKSA-N -1 1 333.174 4.243 20 30 EIEDMM Cc1coc([N-]C(=O)c2c(Cl)cc(Cl)nc2Cl)c1C#N ZINC001195915752 1053524738 /nfs/dbraw/zinc/52/47/38/1053524738.db2.gz HXETWTNIIBFWAF-UHFFFAOYSA-N -1 1 330.558 4.067 20 30 EIEDMM O=C1c2ccc([O-])cc2C/C1=C\c1c(F)cccc1Br ZINC000794944308 1053813925 /nfs/dbraw/zinc/81/39/25/1053813925.db2.gz FGRCBOQNZNCPRU-CSKARUKUSA-N -1 1 333.156 4.116 20 30 EIEDMM Cc1csc(C(C#N)=C([O-])c2ccc(Cl)c3ncccc23)n1 ZINC000338622632 1054244357 /nfs/dbraw/zinc/24/43/57/1054244357.db2.gz JUMCXQCIBJXXFS-LBPRGKRZSA-N -1 1 327.796 4.143 20 30 EIEDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2SC(C)C)cc1C#N ZINC001201319496 1054755370 /nfs/dbraw/zinc/75/53/70/1054755370.db2.gz AXHZPTZOGBQZTD-UHFFFAOYSA-N -1 1 346.477 4.168 20 30 EIEDMM N#Cc1ccc(NN=Cc2c(F)ccc([O-])c2F)cc1C(F)(F)F ZINC000794503056 1055183023 /nfs/dbraw/zinc/18/30/23/1055183023.db2.gz YCPAAVQOQAXPCI-UHFFFAOYSA-N -1 1 341.239 4.007 20 30 EIEDMM C[C@@H](CNc1cc(/C=N/[O-])cc(C(F)(F)F)c1)c1ccc(O)cc1 ZINC001169549220 1060852497 /nfs/dbraw/zinc/85/24/97/1060852497.db2.gz XAYSMUXWXMAXQV-ZOCVZFIWSA-N -1 1 338.329 4.435 20 30 EIEDMM COc1ccc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c([O-])c1 ZINC000108981494 1019173087 /nfs/dbraw/zinc/17/30/87/1019173087.db2.gz WZRRDOTUALGSNE-GFCCVEGCSA-N -1 1 342.420 4.047 20 30 EIEDMM C[C@H]1Cc2c(C#N)c([N-]C(=O)c3c(F)ccnc3F)sc2[C@H](C)C1 ZINC000891172199 1021448728 /nfs/dbraw/zinc/44/87/28/1021448728.db2.gz FNGDLCQKTSOKIM-RKDXNWHRSA-N -1 1 347.390 4.231 20 30 EIEDMM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000066801289 1022522221 /nfs/dbraw/zinc/52/22/21/1022522221.db2.gz RHQKGCQFODHDPO-SNVBAGLBSA-N -1 1 347.421 4.303 20 30 EIEDMM O=C(/C=C\c1ccc([O-])c(Br)c1)c1ccc(Cl)nc1 ZINC000255304258 1023203586 /nfs/dbraw/zinc/20/35/86/1023203586.db2.gz UINBLSSMSOWWKL-RJRFIUFISA-N -1 1 338.588 4.099 20 30 EIEDMM C=CCCC(C)(C)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC001167745033 1023422007 /nfs/dbraw/zinc/42/20/07/1023422007.db2.gz ZKWWLYQJCDLHGQ-UHFFFAOYSA-N -1 1 348.443 4.214 20 30 EIEDMM C=CC[C@@H]1CCCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000656759957 1023502226 /nfs/dbraw/zinc/50/22/26/1023502226.db2.gz MGMDYIYFPKDRFL-CQSZACIVSA-N -1 1 342.464 4.296 20 30 EIEDMM C=CCCS(=O)(=O)[N-]c1ccccc1O[C@@H](C)c1ccccc1 ZINC000431189817 1024827591 /nfs/dbraw/zinc/82/75/91/1024827591.db2.gz GSDIEPUZWJKCQY-HNNXBMFYSA-N -1 1 331.437 4.144 20 30 EIEDMM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccnc(C)c3)n2)cc1 ZINC000342445602 1026305419 /nfs/dbraw/zinc/30/54/19/1026305419.db2.gz HUPVZJJGECOPCN-MRXNPFEDSA-N -1 1 333.416 4.312 20 30 EIEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCCC1CCCCC1 ZINC000331053333 1027915863 /nfs/dbraw/zinc/91/58/63/1027915863.db2.gz ZMWYFJFEKWJLFL-UHFFFAOYSA-N -1 1 333.476 4.453 20 30 EIEDMM N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)cc1[O-] ZINC000188346680 1031141979 /nfs/dbraw/zinc/14/19/79/1031141979.db2.gz GKEGWHMNLDEUKO-LJQANCHMSA-N -1 1 345.402 4.113 20 30 EIEDMM Cc1ccc(CCC2CCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)cc1 ZINC000614293707 1033967304 /nfs/dbraw/zinc/96/73/04/1033967304.db2.gz WAQNSNDKIJOBHH-UHFFFAOYSA-N -1 1 348.446 4.057 20 30 EIEDMM CC(C)(C)c1cc([N-]C(=O)c2nc(Cl)cs2)c(C#N)s1 ZINC000280512353 1035287268 /nfs/dbraw/zinc/28/72/68/1035287268.db2.gz QLHXFHHUWSUCRG-UHFFFAOYSA-N -1 1 325.846 4.279 20 30 EIEDMM Cc1c(-c2ccccc2)nc(S[C@H](C)c2ccc(C#N)cc2)[n-]c1=O ZINC000163938671 1035878510 /nfs/dbraw/zinc/87/85/10/1035878510.db2.gz CDBXBBMZLMKHGQ-CQSZACIVSA-N -1 1 347.443 4.470 20 30 EIEDMM CC(C)Sc1ccc([C@@H](C)NC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000589177643 1036685110 /nfs/dbraw/zinc/68/51/10/1036685110.db2.gz HIBWSNLOJBXFBC-CYBMUJFWSA-N -1 1 340.448 4.255 20 30 EIEDMM Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589190832 1036704640 /nfs/dbraw/zinc/70/46/40/1036704640.db2.gz ZRMKCNKOUKAUAQ-HNNXBMFYSA-N -1 1 349.434 4.203 20 30 EIEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000589439145 1036794762 /nfs/dbraw/zinc/79/47/62/1036794762.db2.gz SFAHEUOULZCCQA-UHFFFAOYSA-N -1 1 337.828 4.096 20 30 EIEDMM N#Cc1ccccc1-c1ccccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000174870350 1037301602 /nfs/dbraw/zinc/30/16/02/1037301602.db2.gz ALDDGMGDUMPXAO-UHFFFAOYSA-N -1 1 332.334 4.322 20 30 EIEDMM N#CC(=C([O-])c1ccc(F)c(F)c1)c1nc2cc(F)ccc2s1 ZINC000592973558 1037882421 /nfs/dbraw/zinc/88/24/21/1037882421.db2.gz BAXOBHDEYOFVPX-SNVBAGLBSA-N -1 1 332.306 4.204 20 30 EIEDMM CC(C)[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1Cl ZINC000442982808 1040462917 /nfs/dbraw/zinc/46/29/17/1040462917.db2.gz YJWTZKWEAIDGBZ-KRWDZBQOSA-N -1 1 328.799 4.044 20 30 EIEDMM N#CC(=C([O-])c1cccc2ccsc21)c1cnc2ccccc2n1 ZINC000483241016 1040780472 /nfs/dbraw/zinc/78/04/72/1040780472.db2.gz HZRPIWVGGAMURK-CQSZACIVSA-N -1 1 329.384 4.335 20 30 EIEDMM CC(C)(C#N)CCS(=O)(=O)[N-]c1ccccc1Oc1ccccc1 ZINC000559248627 1041397892 /nfs/dbraw/zinc/39/78/92/1041397892.db2.gz IKXNIGFNZPXFKP-UHFFFAOYSA-N -1 1 344.436 4.160 20 30 EIEDMM CCn1c2ccc(C#N)cc2nc1-c1ccc([O-])c(Br)c1 ZINC000436742285 1041450488 /nfs/dbraw/zinc/45/04/88/1041450488.db2.gz VAZULOGBPPIWMC-UHFFFAOYSA-N -1 1 342.196 4.063 20 30 EIEDMM C=CCCC1(c2nc(-c3cc(Cl)c([O-])c(OCC)c3)no2)CC1 ZINC000436868577 1041528945 /nfs/dbraw/zinc/52/89/45/1041528945.db2.gz ACRUIPNEMJERQH-UHFFFAOYSA-N -1 1 334.803 4.492 20 30 EIEDMM O=C([O-])c1cc(C(=O)/C=C/c2cc(Cl)c(O)cc2Cl)cs1 ZINC000759082049 1043195706 /nfs/dbraw/zinc/19/57/06/1043195706.db2.gz BQHKSXUYFGVEGF-OWOJBTEDSA-N -1 1 343.187 4.355 20 30 EIEDMM C=CCCCS(=O)(=O)[N-]c1ccc(-c2ccc(Cl)s2)cn1 ZINC000427797791 1043214486 /nfs/dbraw/zinc/21/44/86/1043214486.db2.gz LLOQNZARRLCPDS-UHFFFAOYSA-N -1 1 342.873 4.171 20 30 EIEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1nc(-c3ccccc3)cs1)O2 ZINC000727974111 1043339376 /nfs/dbraw/zinc/33/93/76/1043339376.db2.gz GLVLCSQDDUOCEH-SXGWCWSVSA-N -1 1 335.384 4.440 20 30 EIEDMM Cc1csc(C(C#N)=C([O-])c2ccc(-c3csc(C)n3)cc2)n1 ZINC000442032030 1043468305 /nfs/dbraw/zinc/46/83/05/1043468305.db2.gz PJUBEKBIFZIUGR-AWEZNQCLSA-N -1 1 339.445 4.374 20 30 EIEDMM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1scnc1Cl ZINC000730990228 1043673456 /nfs/dbraw/zinc/67/34/56/1043673456.db2.gz VUGVXAZCBGFUPO-VIFPVBQESA-N -1 1 337.857 4.301 20 30 EIEDMM C[C@H]1Cc2c(C#N)c([N-]C(=O)c3cc(C4CC4)no3)sc2[C@@H](C)C1 ZINC000521979903 1044134489 /nfs/dbraw/zinc/13/44/89/1044134489.db2.gz XGTJXUGAQYTSTA-ZJUUUORDSA-N -1 1 341.436 4.423 20 30 EIEDMM N#CC(=C([O-])c1ccn(C2CCCC2)n1)c1ccc2ccccc2n1 ZINC000675643990 1044404940 /nfs/dbraw/zinc/40/49/40/1044404940.db2.gz QALMLRPAUCSKGQ-MRXNPFEDSA-N -1 1 330.391 4.036 20 30 EIEDMM N#Cc1ccsc1C(=O)[N-]c1cc(F)ccc1SCC(F)F ZINC000122715836 1045462163 /nfs/dbraw/zinc/46/21/63/1045462163.db2.gz HRFUXUJLPDGNRC-UHFFFAOYSA-N -1 1 342.367 4.368 20 30 EIEDMM N#CC(=C([O-])c1coc2ccccc21)c1ccc(C(F)(F)F)cn1 ZINC000073087540 1045802915 /nfs/dbraw/zinc/80/29/15/1045802915.db2.gz SEOMOWWNYPRTBN-LBPRGKRZSA-N -1 1 330.265 4.337 20 30 EIEDMM CCC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(Cl)cc1Cl ZINC000916241682 1045967560 /nfs/dbraw/zinc/96/75/60/1045967560.db2.gz DZRHQAMPMRYTBZ-UHFFFAOYSA-N -1 1 325.199 4.024 20 30 EIEDMM CCC(=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1)C1CCCCC1 ZINC000769809608 1046079822 /nfs/dbraw/zinc/07/98/22/1046079822.db2.gz DJQXNQGWIKSEBL-UHFFFAOYSA-N -1 1 344.463 4.045 20 30 EIEDMM CCC1(C)CCC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)CC1 ZINC000769810247 1046080506 /nfs/dbraw/zinc/08/05/06/1046080506.db2.gz NQYYCLIJYMXGCJ-UHFFFAOYSA-N -1 1 344.463 4.045 20 30 EIEDMM N#Cc1c(Cl)cccc1SCc1cc(=O)oc2cc([O-])ccc12 ZINC000771456878 1046401615 /nfs/dbraw/zinc/40/16/15/1046401615.db2.gz HXLRUBWJNXUMRI-UHFFFAOYSA-N -1 1 343.791 4.316 20 30 EIEDMM CCc1cccc(Cl)c1CN=Nc1ccc(C(=O)[O-])cc1OC ZINC000788721839 1047278479 /nfs/dbraw/zinc/27/84/79/1047278479.db2.gz KHBMQCHUEHLORQ-UHFFFAOYSA-N -1 1 332.787 4.055 20 30 EIEDMM O=S(=O)([N-]c1ccccc1)c1ccc(N=NCCCC2CC2)cc1 ZINC000807968698 1047551566 /nfs/dbraw/zinc/55/15/66/1047551566.db2.gz RYGWMTFSISGPLW-UHFFFAOYSA-N -1 1 343.452 4.075 20 30 EIEDMM CC1(C)CC(N=Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC000814829658 1048186976 /nfs/dbraw/zinc/18/69/76/1048186976.db2.gz FBNAXYBDMUJWTK-UHFFFAOYSA-N -1 1 343.452 4.075 20 30 EIEDMM CCNc1ccc(C#N)cc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000556928932 1048256098 /nfs/dbraw/zinc/25/60/98/1048256098.db2.gz NOJRQJHUKSIRHS-UHFFFAOYSA-N -1 1 331.375 4.101 20 30 EIEDMM N#Cc1c([N-]C(=O)c2scnc2Cl)sc2c1CCCCC2 ZINC000920078162 1048433469 /nfs/dbraw/zinc/43/34/69/1048433469.db2.gz BKGLYBQMMMNDAF-UHFFFAOYSA-N -1 1 337.857 4.251 20 30 EIEDMM C#CC1([N-]C(=O)C(F)(F)c2cc(Cl)ccc2Cl)CCCC1 ZINC001133023823 1049275573 /nfs/dbraw/zinc/27/55/73/1049275573.db2.gz CYQRTKSBEYXOOB-UHFFFAOYSA-N -1 1 332.177 4.147 20 30 EIEDMM CC(C)Oc1ccc(C#N)cc1NCc1c([O-])ccc(Cl)c1F ZINC001178900998 1050585847 /nfs/dbraw/zinc/58/58/47/1050585847.db2.gz JRCDTHKFDIBXNK-UHFFFAOYSA-N -1 1 334.778 4.456 20 30 EIEDMM CCCCCCCCS(=O)(=O)[N-]c1ccc(C(F)(F)F)cn1 ZINC001187992253 1050665683 /nfs/dbraw/zinc/66/56/83/1050665683.db2.gz FNKBASHUMJGHCB-UHFFFAOYSA-N -1 1 338.395 4.203 20 30 EIEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c1 ZINC000619461248 1050786878 /nfs/dbraw/zinc/78/68/78/1050786878.db2.gz BOUHUXIYECUDPT-UHFFFAOYSA-N -1 1 348.427 4.220 20 30 EIEDMM CC(C)c1cc(C(=O)[N-]c2ccccc2S[C@H](C)CC#N)on1 ZINC000070860216 1050919458 /nfs/dbraw/zinc/91/94/58/1050919458.db2.gz HNKYFCJZOSZKEO-GFCCVEGCSA-N -1 1 329.425 4.445 20 30 EIEDMM CCCCOc1ccc(NC(=O)Nc2c([O-])cccc2C#N)cc1 ZINC001189315162 1050961774 /nfs/dbraw/zinc/96/17/74/1050961774.db2.gz PVFLHOYEEIYGGF-UHFFFAOYSA-N -1 1 325.368 4.087 20 30 EIEDMM N#Cc1cccc(Br)c1Nc1c(F)ccc([O-])c1F ZINC001175268767 1051504974 /nfs/dbraw/zinc/50/49/74/1051504974.db2.gz UNNPMUOIXUXMDV-UHFFFAOYSA-N -1 1 325.112 4.048 20 30 EIEDMM CC1CCC(OCC(=O)N([O-])Cc2cccc3ccccc32)CC1 ZINC001184338968 1051995596 /nfs/dbraw/zinc/99/55/96/1051995596.db2.gz AGPYXPGNFTYHJG-UHFFFAOYSA-N -1 1 327.424 4.153 20 30 EIEDMM N#Cc1cc(Nc2cc(Br)cc(F)c2[O-])ccc1F ZINC001176615758 1052140443 /nfs/dbraw/zinc/14/04/43/1052140443.db2.gz KEGIPDVMXCEKTP-UHFFFAOYSA-N -1 1 325.112 4.048 20 30 EIEDMM C[C@H]1CCC[C@H](C)N1C(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196298481 1053635114 /nfs/dbraw/zinc/63/51/14/1053635114.db2.gz XBCLNYUDRAMPOY-GJZGRUSLSA-N -1 1 334.419 4.334 20 30 EIEDMM N#Cc1ccccc1NC(=S)Nc1cccc(C(F)(F)F)c1[O-] ZINC001196326959 1053639768 /nfs/dbraw/zinc/63/97/68/1053639768.db2.gz MYIWQCSWUCANCT-UHFFFAOYSA-N -1 1 337.326 4.092 20 30 EIEDMM COc1ccc(N[C@@H](C)c2cccc(C#N)c2[O-])cc1OC(C)C ZINC000866339321 1053696117 /nfs/dbraw/zinc/69/61/17/1053696117.db2.gz JIPMJQXEVBKLNQ-ZDUSSCGKSA-N -1 1 326.396 4.233 20 30 EIEDMM N#Cc1ccc(NC(=S)Nc2cc(Cl)ccc2Cl)c([O-])c1 ZINC001201084077 1054673501 /nfs/dbraw/zinc/67/35/01/1054673501.db2.gz MJMBSDWJHUCDST-UHFFFAOYSA-N -1 1 338.219 4.380 20 30 EIEDMM N#CC(=C([O-])c1ccc(C(F)(F)F)s1)c1nc2ccccc2[nH]1 ZINC000671745207 1054913232 /nfs/dbraw/zinc/91/32/32/1054913232.db2.gz BOMDKMMNUSTGTN-QMMMGPOBSA-N -1 1 335.310 4.133 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(Nc3ccccc3)cc2)c1 ZINC000776323702 1055197844 /nfs/dbraw/zinc/19/78/44/1055197844.db2.gz PXRUMMDVCJUJAD-UHFFFAOYSA-N -1 1 329.359 4.260 20 30 EIEDMM O=C1c2cccc(O)c2CC/C1=C/c1ccc([O-])c(Br)c1 ZINC000742434711 1058630610 /nfs/dbraw/zinc/63/06/10/1058630610.db2.gz LOCDVJTZMCKCIA-FLIBITNWSA-N -1 1 345.192 4.073 20 30 EIEDMM CC(=NNc1ccccc1C(=O)[O-])c1ccc(-c2ccncc2)cc1 ZINC000745197799 1059786381 /nfs/dbraw/zinc/78/63/81/1059786381.db2.gz NKLKYPPLILZONL-UHFFFAOYSA-N -1 1 331.375 4.283 20 30 EIEDMM O=C(/C=C\c1ccc([O-])c(Cl)c1)c1c(Cl)nc2ccccn21 ZINC000254992751 1019732094 /nfs/dbraw/zinc/73/20/94/1019732094.db2.gz LDJUCFXNKYFKGD-ALCCZGGFSA-N -1 1 333.174 4.243 20 30 EIEDMM CCc1cc(C#N)c([N-]C(=O)c2cc(-c3ccc(F)cc3)no2)s1 ZINC001125350940 1020708554 /nfs/dbraw/zinc/70/85/54/1020708554.db2.gz BUDJETYWLGOYPU-UHFFFAOYSA-N -1 1 341.367 4.229 20 30 EIEDMM Cc1csc([N-]C(=O)c2cc(-c3ccccc3Cl)on2)c1C#N ZINC000582128558 1021910788 /nfs/dbraw/zinc/91/07/88/1021910788.db2.gz VMEHKVDCSXNAEX-UHFFFAOYSA-N -1 1 343.795 4.489 20 30 EIEDMM N#Cc1c2c(sc1[N-]C(=O)c1cc(C3CC3)no1)CCCCCC2 ZINC000582280072 1021935991 /nfs/dbraw/zinc/93/59/91/1021935991.db2.gz WSPHJTBUNCNWCB-UHFFFAOYSA-N -1 1 341.436 4.396 20 30 EIEDMM C=CC[C@H]1CCCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC000656759321 1023499906 /nfs/dbraw/zinc/49/99/06/1023499906.db2.gz CDJFVPGMQMUNQP-AWEZNQCLSA-N -1 1 342.464 4.296 20 30 EIEDMM N#CC(=C([O-])c1ccn(C2CCCCC2)n1)c1ccc2ccccc2n1 ZINC000684630365 1025201674 /nfs/dbraw/zinc/20/16/74/1025201674.db2.gz XYCKYRIJBWKWTB-KRWDZBQOSA-N -1 1 344.418 4.427 20 30 EIEDMM [O-]c1ccc(C=NNc2cccc3cnccc32)cc1Br ZINC000728432405 1025412820 /nfs/dbraw/zinc/41/28/20/1025412820.db2.gz STQGJSNHUSTCIN-UHFFFAOYSA-N -1 1 342.196 4.149 20 30 EIEDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cc1Cl ZINC000511141014 1026718582 /nfs/dbraw/zinc/71/85/82/1026718582.db2.gz AQLWRNYMFACVMD-UHFFFAOYSA-N -1 1 348.855 4.250 20 30 EIEDMM O=C1c2ccc([O-])cc2C/C1=C\c1ccccc1OCc1cccnc1 ZINC000588534996 1026871799 /nfs/dbraw/zinc/87/17/99/1026871799.db2.gz BDLORERKTBELNB-VCHYOVAHSA-N -1 1 343.382 4.189 20 30 EIEDMM Cc1cc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)ccc1C#N ZINC000324058964 1028007573 /nfs/dbraw/zinc/00/75/73/1028007573.db2.gz IDQRAXVAMHXQMW-UHFFFAOYSA-N -1 1 328.437 4.099 20 30 EIEDMM C[C@H](Oc1cc([O-])ccc1C#N)c1cc(Br)ccc1F ZINC001228007132 1029079329 /nfs/dbraw/zinc/07/93/29/1029079329.db2.gz NEGGTIHKTQAUQG-VIFPVBQESA-N -1 1 336.160 4.305 20 30 EIEDMM N#Cc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)cc1[O-] ZINC000527488420 1030721093 /nfs/dbraw/zinc/72/10/93/1030721093.db2.gz YFLXOUJGZYQCOZ-AQNXPRMDSA-N -1 1 346.430 4.062 20 30 EIEDMM N#CC(=C([O-])c1cccc([C@@H]2CCOC2)c1)c1nc(C2CC2)cs1 ZINC000647378559 1030896109 /nfs/dbraw/zinc/89/61/09/1030896109.db2.gz FRDNGODRJPZFRB-HZPDHXFCSA-N -1 1 338.432 4.014 20 30 EIEDMM CCOc1cc(-c2noc(C(C#N)(CC)CC)n2)cc(Cl)c1[O-] ZINC000528167479 1031183748 /nfs/dbraw/zinc/18/37/48/1031183748.db2.gz NTMRUUNNUUKLKF-UHFFFAOYSA-N -1 1 335.791 4.076 20 30 EIEDMM N#CC(=C([O-])c1ccnn1C1CCCC1)c1nc2ccccc2s1 ZINC000531731434 1031510486 /nfs/dbraw/zinc/51/04/86/1031510486.db2.gz FJKRLKVQFZFUDH-ZDUSSCGKSA-N -1 1 336.420 4.098 20 30 EIEDMM Cc1ccc(-c2csc(NC(=O)c3cc([O-])cc(C#N)c3)n2)s1 ZINC000614293474 1033966854 /nfs/dbraw/zinc/96/68/54/1033966854.db2.gz IZSZAVSZEBNOBA-UHFFFAOYSA-N -1 1 341.417 4.010 20 30 EIEDMM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2cc([O-])cc(C#N)c2)o1 ZINC000614300877 1033976009 /nfs/dbraw/zinc/97/60/09/1033976009.db2.gz XWZWXMRTTBNTDY-UGSOOPFHSA-N -1 1 338.407 4.033 20 30 EIEDMM CCc1ccc([C@H]2CCCCCN2C(=O)c2cc([O-])cc(C#N)c2)o1 ZINC000614370073 1034474571 /nfs/dbraw/zinc/47/45/71/1034474571.db2.gz PRKMOTCPSBRYAG-GOSISDBHSA-N -1 1 338.407 4.177 20 30 EIEDMM C[C@]([N-]C(=O)CC(F)(F)C(F)(F)F)(c1ccccc1)C(F)(F)F ZINC001127175555 1036027940 /nfs/dbraw/zinc/02/79/40/1036027940.db2.gz NHYYNIAKBUNDLD-JTQLQIEISA-N -1 1 349.221 4.168 20 30 EIEDMM C=CCn1cccc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000488234580 1037430834 /nfs/dbraw/zinc/43/08/34/1037430834.db2.gz RMZDGTPISIRNCY-GFCCVEGCSA-N -1 1 341.823 4.427 20 30 EIEDMM O=C(Nc1c([O-])cccc1F)c1ccc(C#Cc2ccccc2)cc1 ZINC000608366952 1038805013 /nfs/dbraw/zinc/80/50/13/1038805013.db2.gz CZFOIZZKTJJJRZ-UHFFFAOYSA-N -1 1 331.346 4.183 20 30 EIEDMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cc1 ZINC000063878762 1038866635 /nfs/dbraw/zinc/86/66/35/1038866635.db2.gz KMCPRMPFMCCDMW-ZDUSSCGKSA-N -1 1 328.437 4.181 20 30 EIEDMM C=CCOc1ccc(C([O-])=C(C#N)c2nc3ccccc3s2)cc1 ZINC000041498964 1038983296 /nfs/dbraw/zinc/98/32/96/1038983296.db2.gz OEZQWFZRJHWXFK-OAHLLOKOSA-N -1 1 334.400 4.351 20 30 EIEDMM N#Cc1ccc(NC2CC2)c(NC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000515318500 1040664353 /nfs/dbraw/zinc/66/43/53/1040664353.db2.gz LHTALOPTEOIAGA-UHFFFAOYSA-N -1 1 343.386 4.244 20 30 EIEDMM CCc1ccccc1S(=O)(=O)[N-]c1ccccc1SCCC#N ZINC000187437040 1043350087 /nfs/dbraw/zinc/35/00/87/1043350087.db2.gz ZRSVSRXZQXNIRH-UHFFFAOYSA-N -1 1 346.477 4.056 20 30 EIEDMM CCSc1cccc(C([O-])=C(C#N)c2nc3ccccc3n2C)c1 ZINC000153124807 1043865762 /nfs/dbraw/zinc/86/57/62/1043865762.db2.gz XQXDXMQRXYPCET-HNNXBMFYSA-N -1 1 335.432 4.175 20 30 EIEDMM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442960104 1043920776 /nfs/dbraw/zinc/92/07/76/1043920776.db2.gz BDUKVIRBJCYERF-GOSISDBHSA-N -1 1 342.826 4.387 20 30 EIEDMM C#Cc1cccc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)c1 ZINC000914746604 1044728945 /nfs/dbraw/zinc/72/89/45/1044728945.db2.gz OYVPGRBPNICVMJ-UHFFFAOYSA-N -1 1 347.395 4.368 20 30 EIEDMM COc1cc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc(Cl)c1[O-] ZINC000153552366 1045248441 /nfs/dbraw/zinc/24/84/41/1045248441.db2.gz OURRGFWXGAKVPB-UHFFFAOYSA-N -1 1 344.798 4.108 20 30 EIEDMM O=C1c2ccc([O-])cc2CC/C1=C\c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000763176303 1045639429 /nfs/dbraw/zinc/63/94/29/1045639429.db2.gz WOUCJMOCOTYLRF-KPKJPENVSA-N -1 1 329.739 4.166 20 30 EIEDMM Cc1ccc(CCCCC(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000069118349 1045757999 /nfs/dbraw/zinc/75/79/99/1045757999.db2.gz AANWHRPDIOCSNR-UHFFFAOYSA-N -1 1 326.322 4.133 20 30 EIEDMM CC(=NNc1ccc(Br)nc1)c1ccc([O-])c(Cl)c1 ZINC000768778254 1045840815 /nfs/dbraw/zinc/84/08/15/1045840815.db2.gz YJNCWECLXICUIM-UHFFFAOYSA-N -1 1 340.608 4.039 20 30 EIEDMM N#CC(=C([O-])C=Cc1ccc2[nH]ccc2c1)c1cnc2ccccc2n1 ZINC000792115275 1045861780 /nfs/dbraw/zinc/86/17/80/1045861780.db2.gz WCEJWOPESOYBQB-IQIBNGDESA-N -1 1 338.370 4.001 20 30 EIEDMM CCc1ccc([C@@H](C#N)[N-]C(=O)C(F)(F)c2ccc(Cl)cc2)cc1 ZINC001129489984 1046511979 /nfs/dbraw/zinc/51/19/79/1046511979.db2.gz UYVRRZDBOSCXDI-MRXNPFEDSA-N -1 1 348.780 4.375 20 30 EIEDMM COc1ccc2nc(/C=C3/CCc4cc([O-])ccc4C3=O)sc2c1 ZINC000788734737 1047295451 /nfs/dbraw/zinc/29/54/51/1047295451.db2.gz XWVQXOKQMJRPMQ-XFXZXTDPSA-N -1 1 337.400 4.223 20 30 EIEDMM CSc1cc(Cl)ccc1[N-]C(=O)c1c(F)cc(C#N)cc1F ZINC001130851521 1047421610 /nfs/dbraw/zinc/42/16/10/1047421610.db2.gz MRSSSLQHCLPXIV-UHFFFAOYSA-N -1 1 338.766 4.464 20 30 EIEDMM O=[N+]([O-])c1c(F)cccc1NN=Cc1cc(Cl)c([O-])cc1Cl ZINC000790311117 1047551694 /nfs/dbraw/zinc/55/16/94/1047551694.db2.gz WZQXNADOENTBRP-UHFFFAOYSA-N -1 1 344.129 4.192 20 30 EIEDMM CC(C)C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Cl)cc1 ZINC001136930819 1047919864 /nfs/dbraw/zinc/91/98/64/1047919864.db2.gz IYKVJAQOKCKWFX-QGZVFWFLSA-N -1 1 342.826 4.434 20 30 EIEDMM C[C@H]1CCc2sc([N-]C(=O)c3cc(C4CC4)no3)c(C#N)c2[C@H]1C ZINC000556807023 1048021147 /nfs/dbraw/zinc/02/11/47/1048021147.db2.gz VFOBFNFTMQFYSN-UWVGGRQHSA-N -1 1 341.436 4.423 20 30 EIEDMM C[C@@H]1CCc2sc([N-]C(=O)c3cc(C4CC4)no3)c(C#N)c2[C@@H]1C ZINC000556807022 1048022039 /nfs/dbraw/zinc/02/20/39/1048022039.db2.gz VFOBFNFTMQFYSN-NXEZZACHSA-N -1 1 341.436 4.423 20 30 EIEDMM C[C@@H]1CCc2sc([N-]C(=O)c3cc(C4CC4)no3)c(C#N)c2[C@H]1C ZINC000556807025 1048022171 /nfs/dbraw/zinc/02/21/71/1048022171.db2.gz VFOBFNFTMQFYSN-ZJUUUORDSA-N -1 1 341.436 4.423 20 30 EIEDMM N#CCCC[C@H](NC(=O)c1c([O-])cccc1Cl)c1ccccc1 ZINC000817320178 1048939014 /nfs/dbraw/zinc/93/90/14/1048939014.db2.gz ZPOCWNYZADSWBG-HNNXBMFYSA-N -1 1 328.799 4.211 20 30 EIEDMM CCCCCN(Cc1ccc(F)cc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC001136179931 1049240199 /nfs/dbraw/zinc/24/01/99/1049240199.db2.gz DDRKYYQBDKRDQC-UHFFFAOYSA-N -1 1 340.398 4.236 20 30 EIEDMM C[C@H](C#N)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cc1 ZINC001148800530 1049381931 /nfs/dbraw/zinc/38/19/31/1049381931.db2.gz FSNLTZUIPGIHCP-SNVBAGLBSA-N -1 1 334.297 4.290 20 30 EIEDMM N#C[C@@H](NC(=O)c1cccc(-c2ccccc2)c1[O-])c1ccccc1 ZINC001148861795 1049390890 /nfs/dbraw/zinc/39/08/90/1049390890.db2.gz YQOVCJVFYYCGGV-LJQANCHMSA-N -1 1 328.371 4.054 20 30 EIEDMM CC(C)c1nccnc1N=NC(C)c1cc(Cl)c(Cl)cc1[O-] ZINC000773092256 1049575353 /nfs/dbraw/zinc/57/53/53/1049575353.db2.gz DRBVNOYDLDKHIS-UHFFFAOYSA-N -1 1 339.226 4.449 20 30 EIEDMM Cc1cc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)[nH]1 ZINC000619756493 1050885150 /nfs/dbraw/zinc/88/51/50/1050885150.db2.gz FQIFYEMQGSEDDT-INIZCTEOSA-N -1 1 346.415 4.117 20 30 EIEDMM N#Cc1c([O-])csc1NC(=O)Nc1cccc(Cl)c1Cl ZINC001189200960 1050924769 /nfs/dbraw/zinc/92/47/69/1050924769.db2.gz DAYHAABEWUCFAY-UHFFFAOYSA-N -1 1 328.180 4.276 20 30 EIEDMM CCCCCCCNC(=O)Nc1cccc([O-])c1Br ZINC001191110847 1051354834 /nfs/dbraw/zinc/35/48/34/1051354834.db2.gz AYMMLOGADDTIMK-UHFFFAOYSA-N -1 1 329.238 4.247 20 30 EIEDMM CCCCc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2C)cc1 ZINC001191223698 1051400738 /nfs/dbraw/zinc/40/07/38/1051400738.db2.gz DQBDQTQTJBWZND-UHFFFAOYSA-N -1 1 328.437 4.010 20 30 EIEDMM N#Cc1cc(NC(=O)Nc2cc(F)cc(C(F)(F)F)c2)ccc1[O-] ZINC001191585790 1051481900 /nfs/dbraw/zinc/48/19/00/1051481900.db2.gz GJDLOAIKCUDXLY-UHFFFAOYSA-N -1 1 339.248 4.066 20 30 EIEDMM C[C@H](C(=O)Nc1ccc(C#N)cc1[O-])c1ccc(F)c2ccccc21 ZINC001183506635 1051857666 /nfs/dbraw/zinc/85/76/66/1051857666.db2.gz SFGKTSPDBCXQIX-LBPRGKRZSA-N -1 1 334.350 4.298 20 30 EIEDMM C#Cc1cc([N-]S(=O)(=O)c2ccc(C)c3ccccc32)ccc1F ZINC001193864005 1052019605 /nfs/dbraw/zinc/01/96/05/1052019605.db2.gz MSGKVSRLIZHPAK-UHFFFAOYSA-N -1 1 339.391 4.069 20 30 EIEDMM C=CCOC(=O)c1ccc(Nc2c(F)cc(F)c([O-])c2F)c(F)c1 ZINC001176671552 1052160121 /nfs/dbraw/zinc/16/01/21/1052160121.db2.gz GOHCENCVIMDHPB-UHFFFAOYSA-N -1 1 341.260 4.035 20 30 EIEDMM Nc1cc(F)cc(C(F)(F)F)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176674111 1052161067 /nfs/dbraw/zinc/16/10/67/1052161067.db2.gz QBZNOVIVRDDETF-UHFFFAOYSA-N -1 1 340.198 4.293 20 30 EIEDMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(C#N)c2ccccc12 ZINC001194602997 1052177017 /nfs/dbraw/zinc/17/70/17/1052177017.db2.gz MRTLNVZYPXOJKF-UHFFFAOYSA-N -1 1 336.416 4.129 20 30 EIEDMM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc3ccccc3s2)c1 ZINC001185458919 1052243645 /nfs/dbraw/zinc/24/36/45/1052243645.db2.gz BUNRZWIFXITIHE-UHFFFAOYSA-N -1 1 348.836 4.227 20 30 EIEDMM N#CC(=C([O-])c1ccc(-c2ccccc2)[nH]1)c1nc2ccccc2o1 ZINC000171797380 1052451862 /nfs/dbraw/zinc/45/18/62/1052451862.db2.gz ILGPMPPVNZLISA-AWEZNQCLSA-N -1 1 327.343 4.313 20 30 EIEDMM O=C(/C=C/c1ccc([O-])c(F)c1)c1ccc(Br)c(F)c1 ZINC000755600372 1053285059 /nfs/dbraw/zinc/28/50/59/1053285059.db2.gz ZMVUVZQHFHASIR-ORCRQEGFSA-N -1 1 339.135 4.329 20 30 EIEDMM CC(C)c1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(C#N)c2)c1 ZINC001195156377 1053308854 /nfs/dbraw/zinc/30/88/54/1053308854.db2.gz JQUPITYLLBLOPQ-UHFFFAOYSA-N -1 1 334.828 4.136 20 30 EIEDMM N#Cc1c([N-]C(=O)c2cc(-c3ccncc3)on2)sc2ccccc12 ZINC001196211021 1053614173 /nfs/dbraw/zinc/61/41/73/1053614173.db2.gz RLDOGSITRBLYAP-UHFFFAOYSA-N -1 1 346.371 4.075 20 30 EIEDMM C[C@H]1CCCCN(C(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)C1 ZINC001196309210 1053627227 /nfs/dbraw/zinc/62/72/27/1053627227.db2.gz QJERNDGZMCQGBA-HNNXBMFYSA-N -1 1 334.419 4.193 20 30 EIEDMM O=C1c2ccc([O-])cc2C/C1=C/c1c(F)cccc1Br ZINC000794944310 1053814455 /nfs/dbraw/zinc/81/44/55/1053814455.db2.gz FGRCBOQNZNCPRU-NTMALXAHSA-N -1 1 333.156 4.116 20 30 EIEDMM O=C(/C=C/c1c(F)ccc([O-])c1F)c1ccc([N+](=O)[O-])cc1Cl ZINC000794945528 1053818255 /nfs/dbraw/zinc/81/82/55/1053818255.db2.gz MQOLKPGHKWKBMM-HWKANZROSA-N -1 1 339.681 4.128 20 30 EIEDMM CCCCCCCCCCS(=O)(=O)[N-]c1cnc(Cl)nc1 ZINC001201834657 1054929381 /nfs/dbraw/zinc/92/93/81/1054929381.db2.gz ROXGPXMKGOGXKH-UHFFFAOYSA-N -1 1 333.885 4.012 20 30 EIEDMM N#Cc1c([O-])csc1NC(=O)Nc1ccc(Cl)cc1Cl ZINC001202075348 1055037186 /nfs/dbraw/zinc/03/71/86/1055037186.db2.gz SCKJNHWPWGVOHM-UHFFFAOYSA-N -1 1 328.180 4.276 20 30 EIEDMM Cc1nn(Cc2ccccc2)c(C)c1/C=C/C(=O)c1ccc([O-])cc1 ZINC000007718036 1055494480 /nfs/dbraw/zinc/49/44/80/1055494480.db2.gz YMKAGTUXRPPMLI-OUKQBFOZSA-N -1 1 332.403 4.150 20 30 EIEDMM Cc1cc(C(=O)Nc2c([O-])cccc2F)c(C)n1-c1ccc(C#N)cc1 ZINC000743415709 1058991135 /nfs/dbraw/zinc/99/11/35/1058991135.db2.gz JRFLVXFPUVOBIV-UHFFFAOYSA-N -1 1 349.365 4.063 20 30 EIEDMM COCCC[N@@H+]1Cc2cccc(N=Cc3cc(Cl)ccc3O)c2C1 ZINC000255011796 1019871002 /nfs/dbraw/zinc/87/10/02/1019871002.db2.gz ULPPUUNURAJWGP-UHFFFAOYSA-N -1 1 344.842 4.148 20 30 EIEDMM Cc1cc(C(=O)/C=C/c2cc([N+](=O)[O-])ccc2OC(F)F)ccc1[O-] ZINC000728231944 1020325361 /nfs/dbraw/zinc/32/53/61/1020325361.db2.gz OJSLAISRFLCWNM-ZZXKWVIFSA-N -1 1 349.289 4.106 20 30 EIEDMM C[C@H]1CCCc2ncc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)n21 ZINC000651352626 1022661418 /nfs/dbraw/zinc/66/14/18/1022661418.db2.gz CZWLYGUUHTXHKC-RYUDHWBXSA-N -1 1 342.468 4.024 20 30 EIEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc(C#N)c(Cl)c2)n1 ZINC000125189589 1024198336 /nfs/dbraw/zinc/19/83/36/1024198336.db2.gz CNMLAKQZKZTHCW-GFCCVEGCSA-N -1 1 329.812 4.282 20 30 EIEDMM CCCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000472000390 1025294771 /nfs/dbraw/zinc/29/47/71/1025294771.db2.gz UVAJDAQVJRCCMJ-UHFFFAOYSA-N -1 1 342.464 4.435 20 30 EIEDMM COc1ccc(C)cc1C(=O)/C=C/c1ccc([O-])c(Br)c1 ZINC000071802189 1025467496 /nfs/dbraw/zinc/46/74/96/1025467496.db2.gz PBTFLKUIYHKCGC-GQCTYLIASA-N -1 1 347.208 4.368 20 30 EIEDMM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccnc(C)c3)n2)cc1 ZINC000342333101 1025871318 /nfs/dbraw/zinc/87/13/18/1025871318.db2.gz IANZRJJRZMAAMS-INIZCTEOSA-N -1 1 349.415 4.012 20 30 EIEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@@H]1C[C@H]1C1CCCCC1 ZINC000329473244 1027806199 /nfs/dbraw/zinc/80/61/99/1027806199.db2.gz AMZAUYUUJWXKDO-GJZGRUSLSA-N -1 1 345.487 4.309 20 30 EIEDMM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCCCc3ccccc32)c1 ZINC000328822126 1027812446 /nfs/dbraw/zinc/81/24/46/1027812446.db2.gz IALYUZCBTOEKAH-UHFFFAOYSA-N -1 1 338.407 4.373 20 30 EIEDMM C=CCCO[C@@H](C)c1nc(-c2cc(Cl)c([O-])c(OCC)c2)no1 ZINC000278189297 1028456164 /nfs/dbraw/zinc/45/61/64/1028456164.db2.gz XPIYKSLBDIYHLQ-JTQLQIEISA-N -1 1 338.791 4.148 20 30 EIEDMM O=C1c2ccc([O-])cc2CC/C1=C\c1csc(-c2ccccn2)n1 ZINC000161667852 1028563549 /nfs/dbraw/zinc/56/35/49/1028563549.db2.gz XDCIUEPMYRIGJK-UKTHLTGXSA-N -1 1 334.400 4.123 20 30 EIEDMM C[C@H](Oc1ccc(C#N)cc1)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445442619 1028566452 /nfs/dbraw/zinc/56/64/52/1028566452.db2.gz DFECBDQCAOADDX-JTQLQIEISA-N -1 1 341.754 4.107 20 30 EIEDMM [O-]c1c(O)ccc(/C=N/c2ccc(COC3CCCC3)cc2)c1O ZINC000128389525 1028881213 /nfs/dbraw/zinc/88/12/13/1028881213.db2.gz MNGWTRRJDYCMQW-RGVLZGJSSA-N -1 1 327.380 4.013 20 30 EIEDMM CCCOc1cccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1 ZINC000647377112 1030888813 /nfs/dbraw/zinc/88/88/13/1030888813.db2.gz QFVAHGIDPWMODY-OAHLLOKOSA-N -1 1 326.421 4.299 20 30 EIEDMM Cc1cnn(-c2ccc(C([O-])=C(C#N)c3nc(C4CC4)cs3)cc2)c1 ZINC000647377574 1030900569 /nfs/dbraw/zinc/90/05/69/1030900569.db2.gz VNLWPOXGYYSRJG-MRXNPFEDSA-N -1 1 348.431 4.005 20 30 EIEDMM CC[C@H](C)c1ccccc1OCC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000026252495 1031047185 /nfs/dbraw/zinc/04/71/85/1031047185.db2.gz HVUBZULXWDQZET-VIFPVBQESA-N -1 1 342.321 4.004 20 30 EIEDMM N#CC(=C([O-])c1ccc2ccccc2n1)c1ccc(C(F)(F)F)cn1 ZINC000041555636 1031500292 /nfs/dbraw/zinc/50/02/92/1031500292.db2.gz RJDCYOHOFAZMMV-CYBMUJFWSA-N -1 1 341.292 4.139 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000614293405 1033968177 /nfs/dbraw/zinc/96/81/77/1033968177.db2.gz NRRZNTIMFLFNMB-UHFFFAOYSA-N -1 1 330.343 4.308 20 30 EIEDMM Cc1cc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)s2)cc1Cl ZINC000230345346 1034382697 /nfs/dbraw/zinc/38/26/97/1034382697.db2.gz ADBYITFLUZGZTP-UHFFFAOYSA-N -1 1 347.248 4.036 20 30 EIEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)c1ccc(Oc2ccccc2)cc1 ZINC000614364944 1034471669 /nfs/dbraw/zinc/47/16/69/1034471669.db2.gz HYAUJJOTRPGNSW-UHFFFAOYSA-N -1 1 344.370 4.333 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)Nc2cccc(Nc3ccccc3)c2)c1 ZINC000614369191 1034480943 /nfs/dbraw/zinc/48/09/43/1034480943.db2.gz FEXVUMSLJYUUMB-UHFFFAOYSA-N -1 1 329.359 4.260 20 30 EIEDMM CC(C)c1ccc(C[C@H]2CCN(C(=O)c3cc([O-])cc(C#N)c3)C2)cc1 ZINC000589205688 1036709434 /nfs/dbraw/zinc/70/94/34/1036709434.db2.gz FDLLCVBDTZQCHK-QGZVFWFLSA-N -1 1 348.446 4.092 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)c1 ZINC000589207568 1036709543 /nfs/dbraw/zinc/70/95/43/1036709543.db2.gz BZRRNQBYBATHAM-NJYVYQBISA-N -1 1 346.430 4.062 20 30 EIEDMM CCOc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)ccc1C ZINC000503522275 1037797895 /nfs/dbraw/zinc/79/78/95/1037797895.db2.gz UMISGGUKBGMKDB-CQSZACIVSA-N -1 1 336.416 4.494 20 30 EIEDMM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442875695 1040372552 /nfs/dbraw/zinc/37/25/52/1040372552.db2.gz UGPHKZDUQWZRMA-JTQLQIEISA-N -1 1 349.217 4.404 20 30 EIEDMM C=CCOc1cccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1 ZINC000460834476 1040997206 /nfs/dbraw/zinc/99/72/06/1040997206.db2.gz BCQIMEZXMYUVHH-UHFFFAOYSA-N -1 1 331.437 4.176 20 30 EIEDMM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc(C#N)c([O-])c2)o1 ZINC000443293690 1041201826 /nfs/dbraw/zinc/20/18/26/1041201826.db2.gz JJUWOAISYHALDJ-GUYCJALGSA-N -1 1 338.407 4.033 20 30 EIEDMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1 ZINC000460437306 1041925316 /nfs/dbraw/zinc/92/53/16/1041925316.db2.gz MYZZQCACYBQWSR-UHFFFAOYSA-N -1 1 348.855 4.310 20 30 EIEDMM N#Cc1cc(F)c(C(=O)[N-]c2cc(Cl)cc(F)c2F)c(F)c1 ZINC000441568719 1042887487 /nfs/dbraw/zinc/88/74/87/1042887487.db2.gz HGCLEKBYVPWUOR-UHFFFAOYSA-N -1 1 328.652 4.020 20 30 EIEDMM N#Cc1ccc(-c2ccc(-c3noc(-c4ncccc4[O-])n3)cc2)cc1 ZINC001212480957 1043430368 /nfs/dbraw/zinc/43/03/68/1043430368.db2.gz RNPKXCRLNFDCLB-UHFFFAOYSA-N -1 1 340.342 4.043 20 30 EIEDMM CC(N=Nc1ccccc1C(=O)[O-])c1cccc(OC(F)(F)F)c1 ZINC000730947102 1043656684 /nfs/dbraw/zinc/65/66/84/1043656684.db2.gz CGTPZIHLDVKKSV-UHFFFAOYSA-N -1 1 338.285 4.120 20 30 EIEDMM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(-c2ccccc2F)s1 ZINC000914772214 1044764516 /nfs/dbraw/zinc/76/45/16/1044764516.db2.gz OTHHPRBSGDMQAE-UHFFFAOYSA-N -1 1 342.399 4.194 20 30 EIEDMM CC(F)(F)CC(=O)[N-][C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000429082635 1045130936 /nfs/dbraw/zinc/13/09/36/1045130936.db2.gz JEBZAOUANCEMMA-SNVBAGLBSA-N -1 1 349.221 4.470 20 30 EIEDMM N#Cc1c([N-]C(=O)c2nc(Cl)cs2)sc2c1CCCCC2 ZINC000790626085 1045552334 /nfs/dbraw/zinc/55/23/34/1045552334.db2.gz XYDXWVFMMWCVIG-UHFFFAOYSA-N -1 1 337.857 4.251 20 30 EIEDMM CC(C)Cc1ccccc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000792100403 1045856663 /nfs/dbraw/zinc/85/66/63/1045856663.db2.gz NHIJBYUJCHYIPF-KRWDZBQOSA-N -1 1 329.403 4.318 20 30 EIEDMM C[C@H]1CCc2sc(C([O-])=C(C#N)c3nc4ccccc4n3C)cc2C1 ZINC000123452229 1046124989 /nfs/dbraw/zinc/12/49/89/1046124989.db2.gz VJXXTHNDBLDDOK-GXTWGEPZSA-N -1 1 349.459 4.250 20 30 EIEDMM CCc1ccc([C@H](C#N)[N-]C(=O)C(F)(F)c2ccc(Cl)cc2)cc1 ZINC001129489983 1046511591 /nfs/dbraw/zinc/51/15/91/1046511591.db2.gz UYVRRZDBOSCXDI-INIZCTEOSA-N -1 1 348.780 4.375 20 30 EIEDMM CC(C)Cn1ncc([N-]c2nc(Cl)c(C#N)s2)c1C(F)F ZINC000804578235 1046633702 /nfs/dbraw/zinc/63/37/02/1046633702.db2.gz HMEASGKJRLTANW-UHFFFAOYSA-N -1 1 331.779 4.202 20 30 EIEDMM N#CC(=C([O-])c1cc(F)c2ccccc2c1)c1cnc2ccccc2n1 ZINC000498978470 1048034565 /nfs/dbraw/zinc/03/45/65/1048034565.db2.gz LAJAGUNPGJEHFB-INIZCTEOSA-N -1 1 341.345 4.412 20 30 EIEDMM N#Cc1ccccc1Oc1ccc(NC(=O)c2ccccc2[O-])cc1F ZINC001137037330 1048093290 /nfs/dbraw/zinc/09/32/90/1048093290.db2.gz WLSWHISQWXCZDB-UHFFFAOYSA-N -1 1 348.333 4.448 20 30 EIEDMM Cc1cccc(F)c1N=NC(C)c1cccc(OCCCC(=O)[O-])c1 ZINC000814904892 1048227286 /nfs/dbraw/zinc/22/72/86/1048227286.db2.gz CZAYNSLYWLFJGD-UHFFFAOYSA-N -1 1 344.386 4.214 20 30 EIEDMM Cc1c(C(=O)/C=C\c2ccc([O-])c(Cl)c2)cnn1-c1ccccc1 ZINC000921266603 1048897954 /nfs/dbraw/zinc/89/79/54/1048897954.db2.gz ZUPGEUIEXXCBFM-CLFYSBASSA-N -1 1 338.794 4.436 20 30 EIEDMM Cc1csc(C(C#N)=C([O-])c2cccc(-c3csc(C)n3)c2)n1 ZINC000076763823 1048942260 /nfs/dbraw/zinc/94/22/60/1048942260.db2.gz MLVGMWQKOKOCGD-CQSZACIVSA-N -1 1 339.445 4.374 20 30 EIEDMM O=C(Nc1cccc(C#Cc2ccccc2)c1)c1ccc(F)c([O-])c1 ZINC001136030107 1049047166 /nfs/dbraw/zinc/04/71/66/1049047166.db2.gz VROMEROHKWGQAM-UHFFFAOYSA-N -1 1 331.346 4.183 20 30 EIEDMM CCCCCCCCCCC(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000820062455 1049409691 /nfs/dbraw/zinc/40/96/91/1049409691.db2.gz CGIHMQHVFUGRFR-UHFFFAOYSA-N -1 1 337.464 4.012 20 30 EIEDMM CCCCCCCCS(=O)(=O)[N-]c1cccnc1C(F)(F)F ZINC001187994251 1050668204 /nfs/dbraw/zinc/66/82/04/1050668204.db2.gz HCPXNRXFAMWFSY-UHFFFAOYSA-N -1 1 338.395 4.203 20 30 EIEDMM C=CCC1(S(=O)(=O)[N-]c2cc(Cl)ccc2C(F)(F)F)CC1 ZINC001190806447 1051282054 /nfs/dbraw/zinc/28/20/54/1051282054.db2.gz ATVRQBAXVCRIDK-UHFFFAOYSA-N -1 1 339.766 4.209 20 30 EIEDMM N#Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)c2ccccc2)c([O-])c1 ZINC001181833147 1051324656 /nfs/dbraw/zinc/32/46/56/1051324656.db2.gz ZPFSZLJZAACYLD-IBGZPJMESA-N -1 1 342.398 4.229 20 30 EIEDMM N#Cc1cccc(Nc2c(F)cc([O-])cc2F)c1Br ZINC001175099400 1051346295 /nfs/dbraw/zinc/34/62/95/1051346295.db2.gz FDWJPRDDGPFWNX-UHFFFAOYSA-N -1 1 325.112 4.048 20 30 EIEDMM N#Cc1ccc(NC(=O)Cc2ccc3[nH]c4ccccc4c3c2)c([O-])c1 ZINC001182068240 1051389662 /nfs/dbraw/zinc/38/96/62/1051389662.db2.gz YNDLSYIQEFSGMJ-UHFFFAOYSA-N -1 1 341.370 4.080 20 30 EIEDMM N#Cc1c([N-]C(=O)c2c(F)cc(C#N)cc2F)sc2ccccc12 ZINC001191907900 1051571360 /nfs/dbraw/zinc/57/13/60/1051571360.db2.gz ULRVHILSYCTOKM-UHFFFAOYSA-N -1 1 339.326 4.175 20 30 EIEDMM Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3cccc(C#N)c3)cc2)cc1 ZINC001192065796 1051630231 /nfs/dbraw/zinc/63/02/31/1051630231.db2.gz UENBMOGTTCWUEP-UHFFFAOYSA-N -1 1 348.427 4.335 20 30 EIEDMM N#Cc1cc(F)cc(Nc2cc(Br)cc(F)c2[O-])c1 ZINC001175684610 1051729762 /nfs/dbraw/zinc/72/97/62/1051729762.db2.gz OMJRFOOIRQEGBB-UHFFFAOYSA-N -1 1 325.112 4.048 20 30 EIEDMM Cc1ccccc1/N=N/c1ccc([N-]S(=O)(=O)[C@H](C)C#N)c(C)c1 ZINC001193159048 1051882763 /nfs/dbraw/zinc/88/27/63/1051882763.db2.gz ZGHZFLSMKKNJMW-ATQAJOFPSA-N -1 1 342.424 4.373 20 30 EIEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(CC#N)c2)c2ccccc12 ZINC001193864610 1052019476 /nfs/dbraw/zinc/01/94/76/1052019476.db2.gz QCXFUVWANFDXLH-UHFFFAOYSA-N -1 1 336.416 4.015 20 30 EIEDMM COc1ccc(/C=C\C(=O)c2ccc([O-])cc2)c(Br)c1 ZINC000794690776 1053313870 /nfs/dbraw/zinc/31/38/70/1053313870.db2.gz JRTQHUMYWASZMH-UITAMQMPSA-N -1 1 333.181 4.059 20 30 EIEDMM COc1ccc(C(=O)/C=C\c2ccc([O-])c(Cl)c2)c(C)c1OC ZINC000794737620 1053355732 /nfs/dbraw/zinc/35/57/32/1053355732.db2.gz DIDHZQTUYWUDRD-DAXSKMNVSA-N -1 1 332.783 4.267 20 30 EIEDMM N#Cc1cccc(Cl)c1NCc1cccc(Br)c1[O-] ZINC000764934129 1053384588 /nfs/dbraw/zinc/38/45/88/1053384588.db2.gz JZDIMWWCKUDDEA-UHFFFAOYSA-N -1 1 337.604 4.292 20 30 EIEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)N3CCC34CCCC4)c2)c1 ZINC001196308952 1053627180 /nfs/dbraw/zinc/62/71/80/1053627180.db2.gz FWLNOVQTLPILHR-UHFFFAOYSA-N -1 1 332.403 4.090 20 30 EIEDMM C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196298482 1053634789 /nfs/dbraw/zinc/63/47/89/1053634789.db2.gz XBCLNYUDRAMPOY-HUUCEWRRSA-N -1 1 334.419 4.334 20 30 EIEDMM N#Cc1cccc(-c2cc(C(=O)[N-]c3c(F)cccc3Cl)on2)c1 ZINC001127904545 1053729343 /nfs/dbraw/zinc/72/93/43/1053729343.db2.gz VITZKOOBRJKQLT-UHFFFAOYSA-N -1 1 341.729 4.258 20 30 EIEDMM COc1ccc2c(c1)C(=O)/C(=C\c1ccc([O-])c(Cl)c1)CCO2 ZINC000122437466 1053962997 /nfs/dbraw/zinc/96/29/97/1053962997.db2.gz XSKYOPICZXBGHP-WQLSENKSSA-N -1 1 330.767 4.103 20 30 EIEDMM N#Cc1ccc(NC(=S)Nc2cccc(Cl)c2Cl)c([O-])c1 ZINC001201015466 1054606972 /nfs/dbraw/zinc/60/69/72/1054606972.db2.gz CVGGNIJQJOSQFJ-UHFFFAOYSA-N -1 1 338.219 4.380 20 30 EIEDMM Cc1ccc(S(=O)(=O)[N-]c2cc3ccccc3cc2C)cc1C#N ZINC001201322277 1054756579 /nfs/dbraw/zinc/75/65/79/1054756579.db2.gz HJKACQYOEJIYNI-UHFFFAOYSA-N -1 1 336.416 4.129 20 30 EIEDMM O=C1c2ccc([O-])cc2C/C1=C/c1ccccc1OCc1ccccn1 ZINC000187230326 1060174766 /nfs/dbraw/zinc/17/47/66/1060174766.db2.gz DTXMXFXLWOBWCZ-BOPFTXTBSA-N -1 1 343.382 4.189 20 30 EIEDMM Cc1cccn2cc(CNc3cc(/C=N/[O-])cc(C(F)(F)F)c3)nc12 ZINC001169023803 1060603000 /nfs/dbraw/zinc/60/30/00/1060603000.db2.gz ZYRRKTIROOHFDQ-GZIVZEMBSA-N -1 1 348.328 4.082 20 30 EIEDMM Cc1ccc(CCCNc2cc(/C=N/[O-])cc(C(F)(F)F)c2)cn1 ZINC001169257009 1060725665 /nfs/dbraw/zinc/72/56/65/1060725665.db2.gz HMELUHRCYMQRHG-FOKLQQMPSA-N -1 1 337.345 4.262 20 30 EIEDMM O=C([N-][C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@H]1CC1(F)F ZINC000450419734 1032490417 /nfs/dbraw/zinc/49/04/17/1032490417.db2.gz ISTFIMTVOBMQDZ-RKDXNWHRSA-N -1 1 347.205 4.080 20 30 EIEDMM O=C(/C=C\c1csc(-c2ccsc2)n1)c1cc(O)ccc1[O-] ZINC000255000267 1019773379 /nfs/dbraw/zinc/77/33/79/1019773379.db2.gz XZLNWATVLAXFID-IWQZZHSRSA-N -1 1 329.402 4.179 20 30 EIEDMM CC(C)c1csc(C(C#N)=C([O-])c2c(Cl)nc3ccccn32)n1 ZINC000177763102 1021664567 /nfs/dbraw/zinc/66/45/67/1021664567.db2.gz MEVHQMTULZHRNL-SNVBAGLBSA-N -1 1 344.827 4.058 20 30 EIEDMM CC#Cc1cncc(Nc2c(Cl)ccc(Br)c2[O-])c1 ZINC001211063505 1022010557 /nfs/dbraw/zinc/01/05/57/1022010557.db2.gz SWBBEGZBRYFZPW-UHFFFAOYSA-N -1 1 337.604 4.318 20 30 EIEDMM O=C1c2ccc([O-])cc2C/C1=C/c1csc(-c2ccsc2)n1 ZINC000187221983 1023220018 /nfs/dbraw/zinc/22/00/18/1023220018.db2.gz UWVNSVQNFURZQZ-SDQBBNPISA-N -1 1 325.414 4.400 20 30 EIEDMM O=C1c2ccc([O-])cc2C/C1=C\c1csc(-c2ccsc2)n1 ZINC000588535204 1023227025 /nfs/dbraw/zinc/22/70/25/1023227025.db2.gz UWVNSVQNFURZQZ-WUXMJOGZSA-N -1 1 325.414 4.400 20 30 EIEDMM N#CC(=C([O-])c1csc(Cl)c1)c1cc(C(F)(F)F)ccn1 ZINC000362175357 1023298480 /nfs/dbraw/zinc/29/84/80/1023298480.db2.gz ABEKAJLYXLXFEN-SECBINFHSA-N -1 1 330.718 4.305 20 30 EIEDMM CCCCN1Cc2cccc(N=Cc3cc([N+](=O)[O-])ccc3[O-])c2C1 ZINC000255396706 1024011320 /nfs/dbraw/zinc/01/13/20/1024011320.db2.gz NVSGHRCHSLZJNT-UHFFFAOYSA-N -1 1 339.395 4.167 20 30 EIEDMM CC(C)(C)C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(F)cc1 ZINC001625904431 1024567358 /nfs/dbraw/zinc/56/73/58/1024567358.db2.gz YRIIESCJWFQIFI-KRWDZBQOSA-N -1 1 340.398 4.310 20 30 EIEDMM C=CC[C@@H](CC)[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC001211679924 1024808538 /nfs/dbraw/zinc/80/85/38/1024808538.db2.gz XNUVEJYWXIBCAS-SNVBAGLBSA-N -1 1 329.874 4.188 20 30 EIEDMM C=CCOc1ccc(CN[C@@H](CC(=O)[O-])c2ccc(C)o2)cc1Cl ZINC000426811452 1026574915 /nfs/dbraw/zinc/57/49/15/1026574915.db2.gz UATXDDCKVHHVND-HNNXBMFYSA-N -1 1 349.814 4.112 20 30 EIEDMM CCSCc1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)cc1 ZINC000342834120 1027222752 /nfs/dbraw/zinc/22/27/52/1027222752.db2.gz NXTXMTNVRBKHOR-MRXNPFEDSA-N -1 1 349.459 4.316 20 30 EIEDMM Cc1cccc(C)c1[C@H](C)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000330880768 1027892974 /nfs/dbraw/zinc/89/29/74/1027892974.db2.gz YQIHFSKRMZZZGV-ZDUSSCGKSA-N -1 1 341.455 4.471 20 30 EIEDMM C=CC[C@@H]1N(C(=O)c2cc(Cl)c([O-])c(OC)c2)CCCC1(C)C ZINC000444635844 1027896111 /nfs/dbraw/zinc/89/61/11/1027896111.db2.gz LXCWQCWQBVDFSB-HNNXBMFYSA-N -1 1 337.847 4.261 20 30 EIEDMM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1cc(C2CC2)no1 ZINC000281582081 1028789593 /nfs/dbraw/zinc/78/95/93/1028789593.db2.gz DJUQYHSZYSXQRD-LLVKDONJSA-N -1 1 327.409 4.199 20 30 EIEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)cc1 ZINC000447346473 1030024936 /nfs/dbraw/zinc/02/49/36/1030024936.db2.gz WQSDSXNTIIXPEN-UHFFFAOYSA-N -1 1 342.807 4.166 20 30 EIEDMM CSc1ccc(C)c(C([O-])=C(C#N)c2nc3ccccc3n2C)c1 ZINC000122141583 1030679665 /nfs/dbraw/zinc/67/96/65/1030679665.db2.gz BTYYAYKGEGSGKG-OAHLLOKOSA-N -1 1 335.432 4.094 20 30 EIEDMM CCOc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)ccc1C ZINC000647378113 1030908682 /nfs/dbraw/zinc/90/86/82/1030908682.db2.gz VTVHRHUVKYUPQP-CQSZACIVSA-N -1 1 326.421 4.218 20 30 EIEDMM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2cc([O-])cc(C#N)c2)o1 ZINC000614300873 1033975539 /nfs/dbraw/zinc/97/55/39/1033975539.db2.gz XWZWXMRTTBNTDY-FZKQIMNGSA-N -1 1 338.407 4.033 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000614357351 1034465549 /nfs/dbraw/zinc/46/55/49/1034465549.db2.gz KZRJOIHYBMSYED-UHFFFAOYSA-N -1 1 340.688 4.188 20 30 EIEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000597782773 1036345684 /nfs/dbraw/zinc/34/56/84/1036345684.db2.gz ZTYAXRQUWLTUQR-RBUKOAKNSA-N -1 1 334.419 4.062 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)N2CCc3c2cccc3-c2ccccc2)c1 ZINC000589206273 1036710216 /nfs/dbraw/zinc/71/02/16/1036710216.db2.gz DJQYZBURZNKTKS-UHFFFAOYSA-N -1 1 340.382 4.134 20 30 EIEDMM N#CC(=C([O-])c1ccc(F)c(F)c1)c1nc2cc(F)ccc2s1 ZINC000592973555 1037882394 /nfs/dbraw/zinc/88/23/94/1037882394.db2.gz BAXOBHDEYOFVPX-JTQLQIEISA-N -1 1 332.306 4.204 20 30 EIEDMM CC(C)(C#N)c1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)cc1 ZINC000593209584 1038012740 /nfs/dbraw/zinc/01/27/40/1038012740.db2.gz CEJJHXLTASGBMN-UHFFFAOYSA-N -1 1 340.448 4.166 20 30 EIEDMM CCC1(Cc2ccccc2)CCN(C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000478285582 1039633631 /nfs/dbraw/zinc/63/36/31/1039633631.db2.gz VZPZRBAYJFAZMI-UHFFFAOYSA-N -1 1 348.446 4.139 20 30 EIEDMM N#CCCC[C@@H](NC(=O)c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000436931047 1041555105 /nfs/dbraw/zinc/55/51/05/1041555105.db2.gz YUUZHDXIKBVYKP-MRXNPFEDSA-N -1 1 328.799 4.211 20 30 EIEDMM CC(C)c1csc(C(C#N)=C([O-])c2c[nH]c(C(F)(F)F)c2)n1 ZINC000429670011 1042689736 /nfs/dbraw/zinc/68/97/36/1042689736.db2.gz WHCACALOJKXPCE-SECBINFHSA-N -1 1 327.331 4.103 20 30 EIEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(-c2ccccc2)c1 ZINC000506659642 1042752253 /nfs/dbraw/zinc/75/22/53/1042752253.db2.gz FKQKJRNLGFEGTC-UHFFFAOYSA-N -1 1 348.427 4.335 20 30 EIEDMM COc1ccc(/C=C2\CCc3cc([O-])ccc3C2=O)c(Cl)c1OC ZINC000730437219 1043516355 /nfs/dbraw/zinc/51/63/55/1043516355.db2.gz QYCIMUCFCIYOBJ-UKTHLTGXSA-N -1 1 344.794 4.275 20 30 EIEDMM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccc(Oc2ccccc2)o1 ZINC000176530979 1043538760 /nfs/dbraw/zinc/53/87/60/1043538760.db2.gz NFIODNCJQAQQNU-INIZCTEOSA-N -1 1 346.342 4.033 20 30 EIEDMM N#Cc1cccc(Nc2cc(F)cc(F)c2[O-])c1Br ZINC001212491309 1043608508 /nfs/dbraw/zinc/60/85/08/1043608508.db2.gz NEUHXKAELPGSTH-UHFFFAOYSA-N -1 1 325.112 4.048 20 30 EIEDMM N#Cc1ccc(CN(C(=O)c2ccc3ccccc3c2[O-])C2CC2)cc1 ZINC000193240133 1044804162 /nfs/dbraw/zinc/80/41/62/1044804162.db2.gz XDQCNUZPWBCTHC-UHFFFAOYSA-N -1 1 342.398 4.222 20 30 EIEDMM CN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])c1cccc(C#N)c1 ZINC000094056625 1044867956 /nfs/dbraw/zinc/86/79/56/1044867956.db2.gz BTZXKOAATXTWNE-UHFFFAOYSA-N -1 1 342.398 4.131 20 30 EIEDMM N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1cccc([O-])c1Cl ZINC000509005800 1044900524 /nfs/dbraw/zinc/90/05/24/1044900524.db2.gz FKKLZDGDWOHPHR-SJORKVTESA-N -1 1 326.827 4.317 20 30 EIEDMM CCC(N=Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CC1 ZINC000741162456 1045276957 /nfs/dbraw/zinc/27/69/57/1045276957.db2.gz DYQACJGTXBDYFM-UHFFFAOYSA-N -1 1 343.452 4.075 20 30 EIEDMM N#Cc1ccc(Nc2ccc([O-])c(F)c2F)c(Br)c1 ZINC001212007683 1045829056 /nfs/dbraw/zinc/82/90/56/1045829056.db2.gz XHVSTAKTYGGTPK-UHFFFAOYSA-N -1 1 325.112 4.048 20 30 EIEDMM N#Cc1cc(Nc2ccc([O-])c(F)c2F)ccc1Br ZINC001212008802 1045830867 /nfs/dbraw/zinc/83/08/67/1045830867.db2.gz DYFBOVNBHIPIOB-UHFFFAOYSA-N -1 1 325.112 4.048 20 30 EIEDMM CC(N=Nc1ccccc1C(F)(F)F)c1ccc(CC(=O)[O-])cc1 ZINC000915939258 1045844871 /nfs/dbraw/zinc/84/48/71/1045844871.db2.gz OALCEKREJZONCA-UHFFFAOYSA-N -1 1 336.313 4.169 20 30 EIEDMM N#CC(=C([O-])C=Cc1ccc2[nH]ccc2c1)c1cnc2ccccc2n1 ZINC000792115273 1045860907 /nfs/dbraw/zinc/86/09/07/1045860907.db2.gz WCEJWOPESOYBQB-IOBAAEILSA-N -1 1 338.370 4.001 20 30 EIEDMM CCC(N=Nc1cccc(C(=O)[O-])c1)c1cccc(Br)c1 ZINC000916255426 1045966398 /nfs/dbraw/zinc/96/63/98/1045966398.db2.gz ZXSVSEOFMVVVJG-UHFFFAOYSA-N -1 1 347.212 4.374 20 30 EIEDMM [O-]c1ccc(C=NNc2cccc(Cl)c2)cc1Br ZINC000916269469 1045976224 /nfs/dbraw/zinc/97/62/24/1045976224.db2.gz QNBGBUIIWZTABN-UHFFFAOYSA-N -1 1 325.593 4.254 20 30 EIEDMM O=C([O-])c1ccc(N=NC2CCCSc3ccc(Cl)cc32)nc1 ZINC000763367936 1045999990 /nfs/dbraw/zinc/99/99/90/1045999990.db2.gz JGHGYLXQWOHLFZ-UHFFFAOYSA-N -1 1 347.827 4.135 20 30 EIEDMM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ccc(Cl)s1 ZINC000916907185 1046457928 /nfs/dbraw/zinc/45/79/28/1046457928.db2.gz VFXLYZLCFCCNGK-QMMMGPOBSA-N -1 1 339.203 4.016 20 30 EIEDMM N#CC(=C([O-])c1cccn1Cc1cccs1)c1nc2ccccc2o1 ZINC000066516622 1046637971 /nfs/dbraw/zinc/63/79/71/1046637971.db2.gz YASZJRQWTIBREU-AWEZNQCLSA-N -1 1 347.399 4.229 20 30 EIEDMM C#C[C@H]([N-]c1nc(C(F)(F)F)ns1)c1ccc(Cl)cc1F ZINC000804808697 1046810620 /nfs/dbraw/zinc/81/06/20/1046810620.db2.gz VJSPNRZTNKZKFQ-VIFPVBQESA-N -1 1 335.713 4.136 20 30 EIEDMM O=C(/C=C/c1cnn(Cc2ccccc2)c1Cl)c1ccc([O-])cc1 ZINC000789127495 1047374586 /nfs/dbraw/zinc/37/45/86/1047374586.db2.gz MZAAAHSLKYEFPL-DHZHZOJOSA-N -1 1 338.794 4.187 20 30 EIEDMM O=C([O-])c1cccc(C=NN=c2ccc3ccccc3[nH]2)c1Cl ZINC000814697675 1048127144 /nfs/dbraw/zinc/12/71/44/1048127144.db2.gz XLKMARINHPLUDB-UHFFFAOYSA-N -1 1 325.755 4.032 20 30 EIEDMM [O-]c1cccc(CN=Nc2ncnc3c4ccccc4oc32)c1Cl ZINC000814773097 1048167614 /nfs/dbraw/zinc/16/76/14/1048167614.db2.gz CGQYDPWIHPAMOR-UHFFFAOYSA-N -1 1 338.754 4.181 20 30 EIEDMM N#CCCCn1cc(C(=O)Nc2c([O-])cccc2F)c2ccccc21 ZINC000618237939 1050312972 /nfs/dbraw/zinc/31/29/72/1050312972.db2.gz POCODHAXUJOCOH-UHFFFAOYSA-N -1 1 337.354 4.042 20 30 EIEDMM C=CCNC(=O)Nc1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1 ZINC001177890375 1050320215 /nfs/dbraw/zinc/32/02/15/1050320215.db2.gz WGOQGZAZMWFWDX-UHFFFAOYSA-N -1 1 349.793 4.104 20 30 EIEDMM CC(C)CCc1ccccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619462342 1050788894 /nfs/dbraw/zinc/78/88/94/1050788894.db2.gz HNWADUIYBZYQRI-UHFFFAOYSA-N -1 1 342.464 4.142 20 30 EIEDMM Cc1cccc([O-])c1C(=O)Nc1ccccc1-c1ccc(C#N)cc1 ZINC001188654866 1050814834 /nfs/dbraw/zinc/81/48/34/1050814834.db2.gz IGBPVPDVOMGBEB-UHFFFAOYSA-N -1 1 328.371 4.492 20 30 EIEDMM Cc1cc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)[nH]1 ZINC000619756494 1050885199 /nfs/dbraw/zinc/88/51/99/1050885199.db2.gz FQIFYEMQGSEDDT-MRXNPFEDSA-N -1 1 346.415 4.117 20 30 EIEDMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cc1 ZINC001190444328 1051174695 /nfs/dbraw/zinc/17/46/95/1051174695.db2.gz BMMIOLBBNDSTBM-UHFFFAOYSA-N -1 1 342.464 4.355 20 30 EIEDMM C=CCC1(S(=O)(=O)[N-]c2cccc(Cl)c2C(F)(F)F)CC1 ZINC001190815009 1051293717 /nfs/dbraw/zinc/29/37/17/1051293717.db2.gz UQRDWMLQDWCEJR-UHFFFAOYSA-N -1 1 339.766 4.209 20 30 EIEDMM C[C@@H](CC(=O)Nc1ccc(C#N)cc1[O-])Sc1ccc(Cl)cc1 ZINC001181767547 1051303264 /nfs/dbraw/zinc/30/32/64/1051303264.db2.gz CXKCGRJGGNGVKO-NSHDSACASA-N -1 1 346.839 4.427 20 30 EIEDMM N#Cc1cc(Nc2c(F)cc([O-])cc2F)c(Br)cc1F ZINC001175099388 1051345862 /nfs/dbraw/zinc/34/58/62/1051345862.db2.gz DPJKAGLZMRDEQZ-UHFFFAOYSA-N -1 1 343.102 4.187 20 30 EIEDMM N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)c([O-])c1 ZINC001182361229 1051525810 /nfs/dbraw/zinc/52/58/10/1051525810.db2.gz GUCPTIIFENSAIC-CHWSQXEVSA-N -1 1 346.308 4.025 20 30 EIEDMM CCCCCCCC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC001183251773 1051816976 /nfs/dbraw/zinc/81/69/76/1051816976.db2.gz XEDQYLOLEBNNCV-UHFFFAOYSA-N -1 1 336.823 4.130 20 30 EIEDMM CCCCCCCC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC001183251773 1051816980 /nfs/dbraw/zinc/81/69/80/1051816980.db2.gz XEDQYLOLEBNNCV-UHFFFAOYSA-N -1 1 336.823 4.130 20 30 EIEDMM C[C@@H](C(=O)Nc1ccc(C#N)cc1[O-])c1ccc(F)c2ccccc21 ZINC001183506634 1051858308 /nfs/dbraw/zinc/85/83/08/1051858308.db2.gz SFGKTSPDBCXQIX-GFCCVEGCSA-N -1 1 334.350 4.298 20 30 EIEDMM C#Cc1ccc([N-]S(=O)(=O)c2ccc(C)c3ccccc32)cc1F ZINC001193861575 1052016505 /nfs/dbraw/zinc/01/65/05/1052016505.db2.gz GCYCXJUUMDBXML-UHFFFAOYSA-N -1 1 339.391 4.069 20 30 EIEDMM N#Cc1cccc([N-]S(=O)(=O)c2ccc3c(Cl)cccc3c2)c1 ZINC001194215475 1052105957 /nfs/dbraw/zinc/10/59/57/1052105957.db2.gz FKQQZKKJFCBTJV-UHFFFAOYSA-N -1 1 342.807 4.166 20 30 EIEDMM Nc1cc(F)c(C(F)(F)F)cc1Nc1c(F)cc(F)c([O-])c1F ZINC001176672341 1052159691 /nfs/dbraw/zinc/15/96/91/1052159691.db2.gz GUPATIYZPPBEMA-UHFFFAOYSA-N -1 1 340.198 4.293 20 30 EIEDMM N#Cc1ccc([N-]S(=O)(=O)c2cc3ccccc3s2)c(Cl)c1 ZINC001185421285 1052234130 /nfs/dbraw/zinc/23/41/30/1052234130.db2.gz NRQJSQWRDQEAFO-UHFFFAOYSA-N -1 1 348.836 4.227 20 30 EIEDMM CC(C)c1cc(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](C)C3)on1 ZINC000072644699 1052538470 /nfs/dbraw/zinc/53/84/70/1052538470.db2.gz CHHONJKXIISCAR-SNVBAGLBSA-N -1 1 329.425 4.108 20 30 EIEDMM CCc1ncsc1NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196309579 1053628018 /nfs/dbraw/zinc/62/80/18/1053628018.db2.gz ZABDHPHSZXVTPJ-UHFFFAOYSA-N -1 1 349.415 4.202 20 30 EIEDMM C[C@@H]1CCC[C@H](C)N1C(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196298480 1053633901 /nfs/dbraw/zinc/63/39/01/1053633901.db2.gz XBCLNYUDRAMPOY-GASCZTMLSA-N -1 1 334.419 4.334 20 30 EIEDMM N#Cc1cccc(-c2cc([O-])cc(C(=O)Nc3ccc(F)c(O)c3)c2)c1 ZINC001196318010 1053637062 /nfs/dbraw/zinc/63/70/62/1053637062.db2.gz AZOYQPBEWCKLAT-UHFFFAOYSA-N -1 1 348.333 4.028 20 30 EIEDMM CC(C)(CNC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1)CC1CC1 ZINC001196329993 1053640221 /nfs/dbraw/zinc/64/02/21/1053640221.db2.gz JVRPEWQCFNUVIP-UHFFFAOYSA-N -1 1 348.446 4.487 20 30 EIEDMM N#Cc1cccc([N-]S(=O)(=O)c2ccc3cc(Cl)ccc3c2)c1 ZINC001196413083 1053667897 /nfs/dbraw/zinc/66/78/97/1053667897.db2.gz UNLDPIFPLBVDBG-UHFFFAOYSA-N -1 1 342.807 4.166 20 30 EIEDMM COc1cc(N[C@H](C)c2cccc(C#N)c2[O-])ccc1OC(C)C ZINC000866339883 1053695693 /nfs/dbraw/zinc/69/56/93/1053695693.db2.gz FNWFMOUTNGOSTN-CYBMUJFWSA-N -1 1 326.396 4.233 20 30 EIEDMM Cc1nc(C)c(C(C)N=Nc2c(F)cccc2Cl)cc1C(=O)[O-] ZINC000776732572 1053814025 /nfs/dbraw/zinc/81/40/25/1053814025.db2.gz CJKCOKJJJJQRGN-UHFFFAOYSA-N -1 1 335.766 4.025 20 30 EIEDMM N#Cc1cccc(NC(=S)Nc2c([O-])cccc2C(F)(F)F)c1 ZINC001197717108 1053969817 /nfs/dbraw/zinc/96/98/17/1053969817.db2.gz UNUAMDHBDXYOHT-UHFFFAOYSA-N -1 1 337.326 4.092 20 30 EIEDMM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cs1 ZINC000671751441 1054974261 /nfs/dbraw/zinc/97/42/61/1054974261.db2.gz YNOINJKTHNVKFM-LLVKDONJSA-N -1 1 331.347 4.291 20 30 EIEDMM Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1cncc([O-])c1 ZINC000111579781 1056806136 /nfs/dbraw/zinc/80/61/36/1056806136.db2.gz PCKBPYUWLLANTP-UHFFFAOYSA-N -1 1 345.358 4.012 20 30 EIEDMM O=C1c2ccc([O-])cc2CC/C1=C/c1ccc(OCC(F)F)cc1 ZINC000741844691 1058416032 /nfs/dbraw/zinc/41/60/32/1058416032.db2.gz RTXRZZPOMNSZBW-ZROIWOOFSA-N -1 1 330.330 4.249 20 30 EIEDMM COc1ccc(/C=C/C(=O)c2ccc([O-])cc2)cc1OCC(C)C ZINC000005128156 1019034578 /nfs/dbraw/zinc/03/45/78/1019034578.db2.gz YVSVXKKQLHPFQA-ONNFQVAWSA-N -1 1 326.392 4.332 20 30 EIEDMM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccc(C#N)c([O-])c1 ZINC000188610725 1021621857 /nfs/dbraw/zinc/62/18/57/1021621857.db2.gz UVLUTLRETKMAOC-OLZOCXBDSA-N -1 1 342.826 4.181 20 30 EIEDMM N#Cc1cccc(Br)c1Nc1cc(F)c([O-])cc1F ZINC001215573318 1022748668 /nfs/dbraw/zinc/74/86/68/1022748668.db2.gz DXHWNUBVPOAWAZ-UHFFFAOYSA-N -1 1 325.112 4.048 20 30 EIEDMM CC(C)(C)C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(F)cc1 ZINC001625904432 1024568783 /nfs/dbraw/zinc/56/87/83/1024568783.db2.gz YRIIESCJWFQIFI-QGZVFWFLSA-N -1 1 340.398 4.310 20 30 EIEDMM O=C1c2ccccc2OCC/C1=C/c1ccc([O-])c(Br)c1 ZINC000728442048 1025561230 /nfs/dbraw/zinc/56/12/30/1025561230.db2.gz UPQNZJORBRNZDN-XFXZXTDPSA-N -1 1 345.192 4.204 20 30 EIEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000329108544 1027593988 /nfs/dbraw/zinc/59/39/88/1027593988.db2.gz FKFWZJZWRPBMPA-RRFJBIMHSA-N -1 1 345.487 4.452 20 30 EIEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc2c1CCCC2 ZINC000328688519 1027794842 /nfs/dbraw/zinc/79/48/42/1027794842.db2.gz BBZNYPJEOIUNFE-UHFFFAOYSA-N -1 1 339.439 4.303 20 30 EIEDMM O=C([N-]c1ncn(C2CCCCC2)n1)c1coc(C2CCCCC2)n1 ZINC000328712921 1027799484 /nfs/dbraw/zinc/79/94/84/1027799484.db2.gz BUCSEGCQMDKWRM-UHFFFAOYSA-N -1 1 343.431 4.455 20 30 EIEDMM Cc1ccc([O-])c(C(=O)/C=C\c2c(Cl)n(C)nc2C(F)(F)F)c1 ZINC000758929522 1027871148 /nfs/dbraw/zinc/87/11/48/1027871148.db2.gz CUIQRXUCLYZJPQ-XQRVVYSFSA-N -1 1 344.720 4.002 20 30 EIEDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC[C@@H]1CCC[C@@H](C)C1 ZINC000331038451 1027914045 /nfs/dbraw/zinc/91/40/45/1027914045.db2.gz ORNMZTBFCULTGX-OCCSQVGLSA-N -1 1 333.476 4.309 20 30 EIEDMM Cc1ccc([C@@H](C)NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1C ZINC000331047840 1027914958 /nfs/dbraw/zinc/91/49/58/1027914958.db2.gz VVOITPRLVIDJOP-CYBMUJFWSA-N -1 1 341.455 4.471 20 30 EIEDMM Cc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c(C)c1 ZINC000114621177 1029248379 /nfs/dbraw/zinc/24/83/79/1029248379.db2.gz QEVGGCHKKCXQEH-MRXNPFEDSA-N -1 1 333.416 4.312 20 30 EIEDMM COc1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)ccc1C ZINC000114621460 1029259076 /nfs/dbraw/zinc/25/90/76/1029259076.db2.gz MYGZAHAPDWYTSY-OAHLLOKOSA-N -1 1 349.415 4.012 20 30 EIEDMM CSc1ccc(Cl)cc1[N-]C(=O)c1c(F)cc(C#N)cc1F ZINC000128276294 1030462713 /nfs/dbraw/zinc/46/27/13/1030462713.db2.gz LGZRQGDSVRUMRS-UHFFFAOYSA-N -1 1 338.766 4.464 20 30 EIEDMM Cc1csc(C(C#N)=C([O-])c2c(Cl)c3ccccc3n2C)n1 ZINC000048789220 1031855348 /nfs/dbraw/zinc/85/53/48/1031855348.db2.gz XTYOBUQBNZESFC-LLVKDONJSA-N -1 1 329.812 4.087 20 30 EIEDMM Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ccc(F)cc1[O-] ZINC000490648003 1035566791 /nfs/dbraw/zinc/56/67/91/1035566791.db2.gz KYSPHJXXPLMSQU-UHFFFAOYSA-N -1 1 326.352 4.178 20 30 EIEDMM CC(C)(C)c1csc([N-]C(=O)c2nc3cccnc3s2)c1C#N ZINC000571289979 1036022204 /nfs/dbraw/zinc/02/22/04/1036022204.db2.gz CWNWPINDCCWYJR-UHFFFAOYSA-N -1 1 342.449 4.174 20 30 EIEDMM CC(C)[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(Cl)cc1 ZINC000589183309 1036702029 /nfs/dbraw/zinc/70/20/29/1036702029.db2.gz DZUJAPARIQDDIX-KRWDZBQOSA-N -1 1 328.799 4.044 20 30 EIEDMM CCOc1ccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cc1 ZINC000592974106 1037885460 /nfs/dbraw/zinc/88/54/60/1037885460.db2.gz NWCHIMWFQGSVQU-AWEZNQCLSA-N -1 1 340.379 4.324 20 30 EIEDMM O=C1c2ccc([O-])cc2CC/C1=C\c1ccc(Oc2cnccn2)cc1 ZINC000174188109 1038871062 /nfs/dbraw/zinc/87/10/62/1038871062.db2.gz NPZVZCFIOJREJA-LFIBNONCSA-N -1 1 344.370 4.187 20 30 EIEDMM CC(C)[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Cl)cc1 ZINC000442905399 1040399598 /nfs/dbraw/zinc/39/95/98/1040399598.db2.gz SHCPEHDZBUNPGK-QGZVFWFLSA-N -1 1 328.799 4.044 20 30 EIEDMM CCc1ccc([C@H]2CCCCCN2C(=O)c2ccc(C#N)c([O-])c2)o1 ZINC000442980393 1040464332 /nfs/dbraw/zinc/46/43/32/1040464332.db2.gz RILCFCCTVDBZNZ-QGZVFWFLSA-N -1 1 338.407 4.177 20 30 EIEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc([C@@H]3CCOC3)c2)n1 ZINC000551661159 1040484514 /nfs/dbraw/zinc/48/45/14/1040484514.db2.gz IVTUSCMVAXMXSE-CVEARBPZSA-N -1 1 340.448 4.260 20 30 EIEDMM N#Cc1ccc(C(=O)N2CCC[C@H](CCCc3ccccc3)C2)cc1[O-] ZINC000443055000 1040507766 /nfs/dbraw/zinc/50/77/66/1040507766.db2.gz DLGVUENKPJYZOS-SFHVURJKSA-N -1 1 348.446 4.139 20 30 EIEDMM O=C(/C=C\c1ccc(OCc2ccncc2)cc1)c1ccc([O-])cc1 ZINC000212698801 1040636784 /nfs/dbraw/zinc/63/67/84/1040636784.db2.gz POZBPSNPXAMZCW-KMKOMSMNSA-N -1 1 331.371 4.262 20 30 EIEDMM C=CCn1cccc1-c1nc(-c2cc(Cl)c([O-])c(OCC)c2)no1 ZINC000436873758 1041531395 /nfs/dbraw/zinc/53/13/95/1041531395.db2.gz QVZFVIBPVCMPEC-UHFFFAOYSA-N -1 1 345.786 4.149 20 30 EIEDMM N#CCCC[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccccc1 ZINC000436924084 1041560219 /nfs/dbraw/zinc/56/02/19/1041560219.db2.gz FCBKYKANMKJVHK-INIZCTEOSA-N -1 1 328.799 4.211 20 30 EIEDMM N#Cc1ccc([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)cc1 ZINC000506553123 1042594816 /nfs/dbraw/zinc/59/48/16/1042594816.db2.gz UNPVRYFFLVIYRZ-UHFFFAOYSA-N -1 1 334.400 4.026 20 30 EIEDMM N#CC(=C([O-])c1csc2c1CCCC2)c1cnc2ccccc2n1 ZINC000519050743 1042804109 /nfs/dbraw/zinc/80/41/09/1042804109.db2.gz GPWRHRIZYNEHAZ-ZDUSSCGKSA-N -1 1 333.416 4.060 20 30 EIEDMM Cc1csc(C(C#N)=C([O-])c2ccc(C(F)(F)F)c(F)c2)n1 ZINC000190638443 1042872956 /nfs/dbraw/zinc/87/29/56/1042872956.db2.gz RCPNXTWGWYDMAV-VIFPVBQESA-N -1 1 328.290 4.100 20 30 EIEDMM CCOc1cc(C=NNc2cccc([N+](=O)[O-])c2C)cc(Cl)c1[O-] ZINC000727973533 1043339215 /nfs/dbraw/zinc/33/92/15/1043339215.db2.gz PNWLEJFIZLXBCT-UHFFFAOYSA-N -1 1 349.774 4.107 20 30 EIEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc2cc(F)ccc2s1 ZINC000193265681 1044029734 /nfs/dbraw/zinc/02/97/34/1044029734.db2.gz AQPOTKMVXPMXKR-CYBMUJFWSA-N -1 1 349.390 4.417 20 30 EIEDMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1 ZINC000193355914 1044044709 /nfs/dbraw/zinc/04/47/09/1044044709.db2.gz QTROBSDHECJBBU-UHFFFAOYSA-N -1 1 342.464 4.241 20 30 EIEDMM CC(C)c1ccc(C[C@@H]2CCN(C(=O)c3ccc(C#N)c([O-])c3)C2)cc1 ZINC000443132685 1044046877 /nfs/dbraw/zinc/04/68/77/1044046877.db2.gz TYZJVBYCDAHCQL-KRWDZBQOSA-N -1 1 348.446 4.092 20 30 EIEDMM CN(C)[C@@H](C/N=C\c1cc(Cl)cc(Cl)c1[O-])c1ccsc1 ZINC000914557526 1044481272 /nfs/dbraw/zinc/48/12/72/1044481272.db2.gz HXLPQGUXIVOSAC-YCTMVFBPSA-N -1 1 343.279 4.482 20 30 EIEDMM COc1ccc2[nH]cc(C(=O)/C=C\c3ccc([O-])c(Cl)c3)c2c1 ZINC000734307852 1044529645 /nfs/dbraw/zinc/52/96/45/1044529645.db2.gz URKOLDMAIGBCOA-KXFIGUGUSA-N -1 1 327.767 4.432 20 30 EIEDMM Cn1nc(-c2ccccc2)c(/C=C/C(=O)c2ccc([O-])cc2)c1Cl ZINC000734753340 1044664409 /nfs/dbraw/zinc/66/44/09/1044664409.db2.gz SLDXFHYGGVFTSZ-VAWYXSNFSA-N -1 1 338.794 4.342 20 30 EIEDMM C=CCC[C@H](C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccccc1 ZINC000429070321 1045105726 /nfs/dbraw/zinc/10/57/26/1045105726.db2.gz UVRUWHLPSCCQCW-SFHVURJKSA-N -1 1 347.418 4.471 20 30 EIEDMM C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc([O-])c(F)c1 ZINC000613504780 1045376888 /nfs/dbraw/zinc/37/68/88/1045376888.db2.gz BLVSLRWAXUDUSA-LLVKDONJSA-N -1 1 330.384 4.035 20 30 EIEDMM N#Cc1cc(F)c(C(=O)[N-]c2ccccc2SC(F)F)c(F)c1 ZINC000153736034 1045466263 /nfs/dbraw/zinc/46/62/63/1045466263.db2.gz ACCHFKGHZIEJFD-UHFFFAOYSA-N -1 1 340.301 4.403 20 30 EIEDMM Cc1ccc(F)c(C(=O)/C=C/c2ccc([O-])c(Br)c2)c1 ZINC000763292219 1045811383 /nfs/dbraw/zinc/81/13/83/1045811383.db2.gz JLJCXCRIAGABJC-ZZXKWVIFSA-N -1 1 335.172 4.498 20 30 EIEDMM CC(N=Nc1cccc(C(F)(F)F)n1)c1ccc([O-])c(Cl)c1 ZINC000768775192 1045839567 /nfs/dbraw/zinc/83/95/67/1045839567.db2.gz ABHQNUQGYRBIQG-UHFFFAOYSA-N -1 1 329.709 4.296 20 30 EIEDMM N#Cc1c(F)cc(Br)cc1Nc1ccc([O-])c(F)c1F ZINC001212016188 1045839956 /nfs/dbraw/zinc/83/99/56/1045839956.db2.gz CJKWEBCLAKBESU-UHFFFAOYSA-N -1 1 343.102 4.187 20 30 EIEDMM N#CC(=C([O-])C=Cc1ccc2[nH]ccc2c1)c1cnc2ccccc2n1 ZINC000792115278 1045861640 /nfs/dbraw/zinc/86/16/40/1045861640.db2.gz WCEJWOPESOYBQB-QKIRZYONSA-N -1 1 338.370 4.001 20 30 EIEDMM CC(C)COc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000916240735 1045960668 /nfs/dbraw/zinc/96/06/68/1045960668.db2.gz MOLOYCDJKKMNBF-UHFFFAOYSA-N -1 1 326.396 4.256 20 30 EIEDMM Cc1ccc(F)c(N=NC(C)c2cccc(OCCCC(=O)[O-])c2)c1 ZINC000814872597 1048213558 /nfs/dbraw/zinc/21/35/58/1048213558.db2.gz RKUUOHFEGUNEHN-UHFFFAOYSA-N -1 1 344.386 4.214 20 30 EIEDMM Cc1ccc(-c2n[nH]cc2C=C2Oc3cc([O-])cc(C)c3C2=O)cc1 ZINC000920069409 1048441411 /nfs/dbraw/zinc/44/14/11/1048441411.db2.gz ZDCXXBILVNSSLS-CAOOACKPSA-N -1 1 332.359 4.015 20 30 EIEDMM Cc1ccc(C(=O)Nc2ccccc2-c2ccc(C#N)cc2)c([O-])c1 ZINC001148500889 1049329328 /nfs/dbraw/zinc/32/93/28/1049329328.db2.gz ZGNQPGOEEFFNKY-UHFFFAOYSA-N -1 1 328.371 4.492 20 30 EIEDMM C[C@@H](C#N)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cc1 ZINC001148800529 1049382062 /nfs/dbraw/zinc/38/20/62/1049382062.db2.gz FSNLTZUIPGIHCP-JTQLQIEISA-N -1 1 334.297 4.290 20 30 EIEDMM COc1ccc(C(C)N=Nc2ccccc2C(=O)[O-])c2ccccc12 ZINC000812445293 1049469699 /nfs/dbraw/zinc/46/96/99/1049469699.db2.gz PPOOTONOQFGIQS-UHFFFAOYSA-N -1 1 334.375 4.383 20 30 EIEDMM N#CC(=C([O-])C=Cc1ccccc1F)c1cc(C(F)(F)F)ccn1 ZINC000813211087 1049705614 /nfs/dbraw/zinc/70/56/14/1049705614.db2.gz DAORZFULANDYOE-URWSZGRFSA-N -1 1 334.272 4.129 20 30 EIEDMM Cc1ccc(N(CCC#N)C(=O)c2ccc(C(F)(F)F)cc2[O-])cc1 ZINC000182024400 1050431358 /nfs/dbraw/zinc/43/13/58/1050431358.db2.gz RXLCZQIZEWMHKE-UHFFFAOYSA-N -1 1 348.324 4.280 20 30 EIEDMM C[C@H](C#N)Oc1ccccc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000182094116 1050464722 /nfs/dbraw/zinc/46/47/22/1050464722.db2.gz YFXNZEUDLKCIBH-CYBMUJFWSA-N -1 1 332.359 4.089 20 30 EIEDMM CCCCCCCCNC(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001191052193 1051335735 /nfs/dbraw/zinc/33/57/35/1051335735.db2.gz MREDMXTZOQXZCX-UHFFFAOYSA-N -1 1 330.432 4.060 20 30 EIEDMM COc1c(Br)cccc1/C=C\C(=O)c1ccc([O-])cc1 ZINC000774107235 1051456625 /nfs/dbraw/zinc/45/66/25/1051456625.db2.gz WSZMULXRNBZRAV-YFHOEESVSA-N -1 1 333.181 4.059 20 30 EIEDMM N#Cc1cc(Br)c(F)cc1Nc1c(F)ccc([O-])c1F ZINC001175270667 1051509692 /nfs/dbraw/zinc/50/96/92/1051509692.db2.gz HCFREMDRKNMDRO-UHFFFAOYSA-N -1 1 343.102 4.187 20 30 EIEDMM N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)c([O-])c1 ZINC001182361231 1051524841 /nfs/dbraw/zinc/52/48/41/1051524841.db2.gz GUCPTIIFENSAIC-QWHCGFSZSA-N -1 1 346.308 4.025 20 30 EIEDMM [O-]c1c(C=Nn2cnnc2-c2ccccc2)cc(Cl)c2ccccc12 ZINC000774589753 1051793958 /nfs/dbraw/zinc/79/39/58/1051793958.db2.gz NADXGUOYZPRDRP-UHFFFAOYSA-N -1 1 348.793 4.340 20 30 EIEDMM CCCCCC[N@@H+](C)CC(=O)N(O)Cc1cc(Cl)cc(Cl)c1 ZINC001184235886 1051977512 /nfs/dbraw/zinc/97/75/12/1051977512.db2.gz OOJRTPLFSGYHRC-UHFFFAOYSA-N -1 1 347.286 4.223 20 30 EIEDMM N#Cc1ccc([N-]S(=O)(=O)c2cccc3c(Cl)cccc32)cc1 ZINC001194403786 1052141784 /nfs/dbraw/zinc/14/17/84/1052141784.db2.gz LEYDHBSWEHTNHH-UHFFFAOYSA-N -1 1 342.807 4.166 20 30 EIEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(C(C)(C)C#N)c2)ccc1Cl ZINC001185525132 1052255743 /nfs/dbraw/zinc/25/57/43/1052255743.db2.gz SFHHSCIYTDNICT-UHFFFAOYSA-N -1 1 348.855 4.250 20 30 EIEDMM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1cc(Cl)c(Cl)s1 ZINC001195176408 1053317835 /nfs/dbraw/zinc/31/78/35/1053317835.db2.gz MLNACYDEDUHCFA-UHFFFAOYSA-N -1 1 333.146 4.457 20 30 EIEDMM O=C(/C=C/c1ccc([O-])c(F)c1)c1ccc(Br)s1 ZINC000120637757 1053547976 /nfs/dbraw/zinc/54/79/76/1053547976.db2.gz VEXMHPJMKIRLCK-DUXPYHPUSA-N -1 1 327.174 4.251 20 30 EIEDMM N#Cc1cccc([O-])c1NC(=S)Nc1ccc(C(F)(F)F)cc1 ZINC001196189720 1053599117 /nfs/dbraw/zinc/59/91/17/1053599117.db2.gz QKANTISPXQNDRI-UHFFFAOYSA-N -1 1 337.326 4.092 20 30 EIEDMM C#Cc1ccc([N-]S(=O)(=O)c2ccc3cc(Cl)ccc3c2)cc1 ZINC001196436472 1053658773 /nfs/dbraw/zinc/65/87/73/1053658773.db2.gz MCKHTXSCEQHKOD-UHFFFAOYSA-N -1 1 341.819 4.275 20 30 EIEDMM CC[C@H]1CCCC(=NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)CC1 ZINC000853306066 1053666937 /nfs/dbraw/zinc/66/69/37/1053666937.db2.gz JLFPYJCRFUIKCZ-LBPRGKRZSA-N -1 1 344.463 4.045 20 30 EIEDMM Cc1ccc(NC(=O)C(C)C)cc1N[C@@H](C)c1cccc(C#N)c1[O-] ZINC000866316535 1053688197 /nfs/dbraw/zinc/68/81/97/1053688197.db2.gz RPAXXLRNMLQAIO-AWEZNQCLSA-N -1 1 337.423 4.340 20 30 EIEDMM CCCCc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201319747 1054756171 /nfs/dbraw/zinc/75/61/71/1054756171.db2.gz IHEGDWIGUQLJSE-UHFFFAOYSA-N -1 1 328.437 4.010 20 30 EIEDMM N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000767301959 1061186034 /nfs/dbraw/zinc/18/60/34/1061186034.db2.gz QDZHGRUACZSZNN-GOSISDBHSA-N -1 1 346.361 4.439 20 30 EIEDMM O=C([N-][C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1CC1(F)F ZINC000450419731 1032491466 /nfs/dbraw/zinc/49/14/66/1032491466.db2.gz ISTFIMTVOBMQDZ-DTWKUNHWSA-N -1 1 347.205 4.080 20 30 EIEDMM CCCc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)sc1C ZINC000123453254 1023629852 /nfs/dbraw/zinc/62/98/52/1023629852.db2.gz HARXGACEWBSVSH-CQSZACIVSA-N -1 1 337.448 4.386 20 30 EIEDMM Cc1csc(C(C#N)=C([O-])c2cccc(Oc3nccs3)c2)n1 ZINC000077865170 1025507665 /nfs/dbraw/zinc/50/76/65/1025507665.db2.gz WRJSBXBNFJMJGC-CYBMUJFWSA-N -1 1 341.417 4.190 20 30 EIEDMM Cc1c(C([O-])=C(C#N)c2nc(-c3ccc(C)cc3)cs2)ccn1C ZINC000684948469 1026880315 /nfs/dbraw/zinc/88/03/15/1026880315.db2.gz JXNHQRAMHSDGGY-INIZCTEOSA-N -1 1 335.432 4.256 20 30 EIEDMM N#Cc1cc(Nc2cc(F)c([O-])c(F)c2)ccc1N1CCCCC1 ZINC001213384381 1028720567 /nfs/dbraw/zinc/72/05/67/1028720567.db2.gz JPGAVVWSNAKJAB-UHFFFAOYSA-N -1 1 329.350 4.276 20 30 EIEDMM CC(C)CCc1ccccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000527247059 1030575993 /nfs/dbraw/zinc/57/59/93/1030575993.db2.gz YTZAVVUOJMPKOX-UHFFFAOYSA-N -1 1 342.464 4.142 20 30 EIEDMM O=C(/C=C/c1ccc([O-])c(Br)c1)c1cc(F)cc(F)c1 ZINC000755704273 1030759746 /nfs/dbraw/zinc/75/97/46/1030759746.db2.gz JLTNMTGURASQEU-HNQUOIGGSA-N -1 1 339.135 4.329 20 30 EIEDMM Cc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1C ZINC000128846846 1031760869 /nfs/dbraw/zinc/76/08/69/1031760869.db2.gz GNJRNZWIKJRYIF-INIZCTEOSA-N -1 1 333.416 4.312 20 30 EIEDMM CN(C(=O)c1cc([O-])cc(C#N)c1)C1c2ccccc2-c2ccccc21 ZINC000614300535 1033974317 /nfs/dbraw/zinc/97/43/17/1033974317.db2.gz JRWJTKUHAKYXBT-UHFFFAOYSA-N -1 1 340.382 4.106 20 30 EIEDMM Cc1cccc(CN(Cc2ccco2)C(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000589167939 1036681355 /nfs/dbraw/zinc/68/13/55/1036681355.db2.gz GBTRVCQRWZKLFT-UHFFFAOYSA-N -1 1 346.386 4.008 20 30 EIEDMM Cc1ccc(-c2cnc(NC(=O)c3cc([O-])cc(C#N)c3)s2)c(C)c1 ZINC000589205353 1036712336 /nfs/dbraw/zinc/71/23/36/1036712336.db2.gz ZDKLIHWWKCUGOX-UHFFFAOYSA-N -1 1 349.415 4.257 20 30 EIEDMM Cc1cc(-c2ccccc2)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000603562011 1036890452 /nfs/dbraw/zinc/89/04/52/1036890452.db2.gz FXUIARRAGVSVPW-UHFFFAOYSA-N -1 1 348.427 4.335 20 30 EIEDMM N#CC(=C([O-])c1cc2c(s1)-c1ccccc1OC2)c1ccccn1 ZINC000046706015 1038442226 /nfs/dbraw/zinc/44/22/26/1038442226.db2.gz OFAQRRSQPDVRRR-CQSZACIVSA-N -1 1 332.384 4.193 20 30 EIEDMM C[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)c1c(Cl)cccc1Cl ZINC000442968216 1040450130 /nfs/dbraw/zinc/45/01/30/1040450130.db2.gz PJOOAYHRMKJUBD-JTQLQIEISA-N -1 1 349.217 4.104 20 30 EIEDMM N#CC(=C([O-])c1cccc2ccsc21)c1cnc2ccccc2n1 ZINC000483241015 1040779405 /nfs/dbraw/zinc/77/94/05/1040779405.db2.gz HZRPIWVGGAMURK-AWEZNQCLSA-N -1 1 329.384 4.335 20 30 EIEDMM CCC(CC)CN(CCC#N)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436751306 1041463334 /nfs/dbraw/zinc/46/33/34/1041463334.db2.gz KCPGNUHBWINSTJ-UHFFFAOYSA-N -1 1 342.361 4.203 20 30 EIEDMM N#Cc1ccc(SCC(=O)c2ccc([O-])cc2)cc1C(F)(F)F ZINC000542003674 1042219230 /nfs/dbraw/zinc/21/92/30/1042219230.db2.gz DDRKPNMXLZVGOV-UHFFFAOYSA-N -1 1 337.322 4.258 20 30 EIEDMM N#CCc1ccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)cc1 ZINC000029967354 1042462314 /nfs/dbraw/zinc/46/23/14/1042462314.db2.gz KJKLXNZCXNLGPN-UHFFFAOYSA-N -1 1 348.427 4.220 20 30 EIEDMM N#Cc1ccsc1[N-]C(=O)c1cc(-c2ccccc2Cl)on1 ZINC000506531628 1042565179 /nfs/dbraw/zinc/56/51/79/1042565179.db2.gz BNNFBJWSEKFTPA-UHFFFAOYSA-N -1 1 329.768 4.180 20 30 EIEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1nc(-c3ccccc3)cs1)O2 ZINC000727974110 1043338809 /nfs/dbraw/zinc/33/88/09/1043338809.db2.gz GLVLCSQDDUOCEH-CXUHLZMHSA-N -1 1 335.384 4.440 20 30 EIEDMM N#Cc1ccc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)c(Cl)c1 ZINC000438902078 1043515216 /nfs/dbraw/zinc/51/52/16/1043515216.db2.gz QWWPCBDQHPDGEF-UHFFFAOYSA-N -1 1 345.733 4.018 20 30 EIEDMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000494536456 1043572957 /nfs/dbraw/zinc/57/29/57/1043572957.db2.gz LHUMLKJDMNBLKH-UHFFFAOYSA-N -1 1 348.855 4.137 20 30 EIEDMM CCc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(C#N)c([O-])c2)o1 ZINC000442980392 1043917261 /nfs/dbraw/zinc/91/72/61/1043917261.db2.gz RILCFCCTVDBZNZ-KRWDZBQOSA-N -1 1 338.407 4.177 20 30 EIEDMM COc1cccc(-c2nc(/C=C3/Cc4cc([O-])ccc4C3=O)cs2)c1 ZINC000187220343 1044396298 /nfs/dbraw/zinc/39/62/98/1044396298.db2.gz XJYPYQIHUBDHBG-ZSOIEALJSA-N -1 1 349.411 4.347 20 30 EIEDMM Cc1csc(C(C#N)=C([O-])c2ccc(C(F)(F)F)c(F)c2C)n1 ZINC000443535134 1044446843 /nfs/dbraw/zinc/44/68/43/1044446843.db2.gz ZJKILKMWGRRYDK-JTQLQIEISA-N -1 1 342.317 4.408 20 30 EIEDMM N#CC(=C([O-])c1nccc2ccccc21)c1ccc(C(F)(F)F)cn1 ZINC000073087547 1045803077 /nfs/dbraw/zinc/80/30/77/1045803077.db2.gz PLSYRTSXZVZSMN-CQSZACIVSA-N -1 1 341.292 4.139 20 30 EIEDMM O=C([O-])c1ccc(O)c(C(=O)/C=C/c2cccc(-c3cccnc3)c2)c1 ZINC000768491024 1045813878 /nfs/dbraw/zinc/81/38/78/1045813878.db2.gz WWMSUICRNXULHC-SOFGYWHQSA-N -1 1 345.354 4.049 20 30 EIEDMM N#Cc1cccc(Br)c1Nc1ccc([O-])c(F)c1F ZINC001212011045 1045831641 /nfs/dbraw/zinc/83/16/41/1045831641.db2.gz OGKLOCGOVGEUEK-UHFFFAOYSA-N -1 1 325.112 4.048 20 30 EIEDMM CC(N=Nc1ccc(Br)cn1)c1ccc([O-])c(Cl)c1 ZINC000768766768 1045834083 /nfs/dbraw/zinc/83/40/83/1045834083.db2.gz DJDGIIMCDFVOBN-UHFFFAOYSA-N -1 1 340.608 4.039 20 30 EIEDMM CC(N=Nc1nc(C(F)(F)F)cs1)c1ccc([O-])c(Cl)c1 ZINC000768776853 1045841309 /nfs/dbraw/zinc/84/13/09/1045841309.db2.gz SFLJAXXBTGVRGM-UHFFFAOYSA-N -1 1 335.738 4.357 20 30 EIEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000076961058 1045919103 /nfs/dbraw/zinc/91/91/03/1045919103.db2.gz SKDREZCXOONHGL-RITPCOANSA-N -1 1 348.687 4.008 20 30 EIEDMM CCCC[C@H]1CCCC1=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000769812701 1046079493 /nfs/dbraw/zinc/07/94/93/1046079493.db2.gz OUGWBQRBIARKBJ-LBPRGKRZSA-N -1 1 344.463 4.045 20 30 EIEDMM CCCCCCC(C)=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000769809737 1046079942 /nfs/dbraw/zinc/07/99/42/1046079942.db2.gz GTJJPGAUGZOBAV-UHFFFAOYSA-N -1 1 332.452 4.045 20 30 EIEDMM CCC(N=Nc1cccc(C(=O)[O-])c1)c1ccc(OC(F)F)cc1 ZINC000916581806 1046099658 /nfs/dbraw/zinc/09/96/58/1046099658.db2.gz UDFKBYUDEMTABA-UHFFFAOYSA-N -1 1 334.322 4.212 20 30 EIEDMM C#C[C@@H]([N-]c1nc(C(F)(F)F)ns1)c1ccc(Cl)cc1F ZINC000804808695 1046810466 /nfs/dbraw/zinc/81/04/66/1046810466.db2.gz VJSPNRZTNKZKFQ-SECBINFHSA-N -1 1 335.713 4.136 20 30 EIEDMM CC(N=Nc1ccc(F)cc1F)c1cccc(OCCCC(=O)[O-])c1 ZINC000814686707 1048131673 /nfs/dbraw/zinc/13/16/73/1048131673.db2.gz WWRZOJIGNCCYHQ-UHFFFAOYSA-N -1 1 348.349 4.045 20 30 EIEDMM CC(N=Nc1ccccc1C(=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000814767997 1048163425 /nfs/dbraw/zinc/16/34/25/1048163425.db2.gz DAZSUIHBRNYAIL-UHFFFAOYSA-N -1 1 337.404 4.344 20 30 EIEDMM [O-]c1cccc(C=NNc2ccccc2OC(F)(F)F)c1Cl ZINC000814907194 1048229382 /nfs/dbraw/zinc/22/93/82/1048229382.db2.gz YAYIPBDJNONYNU-UHFFFAOYSA-N -1 1 330.693 4.390 20 30 EIEDMM CC(C)CCO[C@@H](C)C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901378262 1048666427 /nfs/dbraw/zinc/66/64/27/1048666427.db2.gz JUQCBYKLIMUCBM-NSHDSACASA-N -1 1 334.243 4.162 20 30 EIEDMM CCOc1ccc(/C=C2\Oc3cc([O-])cc(C)c3C2=O)cc1OCC ZINC000920991262 1048823245 /nfs/dbraw/zinc/82/32/45/1048823245.db2.gz FDSHVDLTYDCRIF-ZDLGFXPLSA-N -1 1 340.375 4.114 20 30 EIEDMM CCOC(=O)Cc1ccc(C(=O)/C=C\c2ccc([O-])c(Cl)c2)cc1 ZINC000921269285 1048901215 /nfs/dbraw/zinc/90/12/15/1048901215.db2.gz KRXGEMSARFYLQJ-UITAMQMPSA-N -1 1 344.794 4.047 20 30 EIEDMM CCOc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)ccc1C ZINC000080454726 1049584216 /nfs/dbraw/zinc/58/42/16/1049584216.db2.gz AYIOLNLWNOMKMB-CQSZACIVSA-N -1 1 328.437 4.464 20 30 EIEDMM N#Cc1ccc(-c2ccccc2NC(=O)c2ccc([O-])cc2F)cc1 ZINC001186329786 1050301212 /nfs/dbraw/zinc/30/12/12/1050301212.db2.gz VVBLBKRDUQQKEE-UHFFFAOYSA-N -1 1 332.334 4.322 20 30 EIEDMM CCCCCCCCCCCCS(=O)(=O)[N-]c1ncn(C)c1C ZINC001187723324 1050609951 /nfs/dbraw/zinc/60/99/51/1050609951.db2.gz ZMUXOUSUEQOEGC-UHFFFAOYSA-N -1 1 343.537 4.391 20 30 EIEDMM N#CCSc1cccc(C(=O)Nc2cc(F)c([O-])cc2Cl)c1 ZINC001179659530 1050741042 /nfs/dbraw/zinc/74/10/42/1050741042.db2.gz AUYXBSMHOAFXDX-UHFFFAOYSA-N -1 1 336.775 4.053 20 30 EIEDMM COc1cc(/C=C2\CCc3cc([O-])ccc3C2=O)ccc1SC ZINC000072079816 1051962961 /nfs/dbraw/zinc/96/29/61/1051962961.db2.gz SIRGLVSULZHHKE-NTEUORMPSA-N -1 1 326.417 4.335 20 30 EIEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc3c(Cl)cccc3c2)cc1 ZINC001194215488 1052105849 /nfs/dbraw/zinc/10/58/49/1052105849.db2.gz GHBGGVBFFOHWKD-UHFFFAOYSA-N -1 1 342.807 4.166 20 30 EIEDMM C#Cc1ccc([N-]S(=O)(=O)c2ccc3c(Cl)cccc3c2)cc1 ZINC001194243436 1052115402 /nfs/dbraw/zinc/11/54/02/1052115402.db2.gz RREYMCYCJBUWCB-UHFFFAOYSA-N -1 1 341.819 4.275 20 30 EIEDMM COc1ccc(/C=C\C(=O)c2ccc([O-])cc2)cc1Br ZINC000211365297 1052582888 /nfs/dbraw/zinc/58/28/88/1052582888.db2.gz PIYGEYCSIDQPBD-WAPJZHGLSA-N -1 1 333.181 4.059 20 30 EIEDMM N#Cc1ccc(-c2ccccc2NC(=O)c2cc([O-])cnc2Cl)cc1 ZINC001195305849 1053372271 /nfs/dbraw/zinc/37/22/71/1053372271.db2.gz ISCRMNDLGWSJOF-UHFFFAOYSA-N -1 1 349.777 4.232 20 30 EIEDMM CC(C)c1c(Cl)ncnc1N=NC(C)c1ccc([O-])c(Cl)c1 ZINC000797403924 1053610461 /nfs/dbraw/zinc/61/04/61/1053610461.db2.gz BWVRIBHFLUEXTJ-UHFFFAOYSA-N -1 1 339.226 4.449 20 30 EIEDMM C[C@H](Nc1cccc(C(=O)N2CCCCC2)c1)c1cccc(C#N)c1[O-] ZINC000866331463 1053694148 /nfs/dbraw/zinc/69/41/48/1053694148.db2.gz MDWJPVLPMKEWOA-HNNXBMFYSA-N -1 1 349.434 4.063 20 30 EIEDMM N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1cccc(Cl)c1[O-] ZINC000775735742 1053725698 /nfs/dbraw/zinc/72/56/98/1053725698.db2.gz TVHDPMKPECIURF-SJLPKXTDSA-N -1 1 326.827 4.317 20 30 EIEDMM O=C1c2ccc([O-])cc2CC/C1=C/c1cc(Cl)c2c(c1)OCCO2 ZINC000207211921 1053878201 /nfs/dbraw/zinc/87/82/01/1053878201.db2.gz QZDLKWCXRVXRKK-QPEQYQDCSA-N -1 1 342.778 4.029 20 30 EIEDMM N#Cc1c([O-])csc1NC(=S)Nc1cccc(Cl)c1Cl ZINC001201008951 1054630393 /nfs/dbraw/zinc/63/03/93/1054630393.db2.gz YSVCQECLHPAIGL-UHFFFAOYSA-N -1 1 344.248 4.441 20 30 EIEDMM N#Cc1c([O-])csc1NC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC001201157681 1054693003 /nfs/dbraw/zinc/69/30/03/1054693003.db2.gz KJCQEGSHFCEESH-UHFFFAOYSA-N -1 1 344.248 4.441 20 30 EIEDMM Cc1cc(C(C#N)=C([O-])c2coc3ccc(C(C)C)cc32)nc(C)n1 ZINC000347601015 1054779220 /nfs/dbraw/zinc/77/92/20/1054779220.db2.gz VESYTOGFBIDRGG-INIZCTEOSA-N -1 1 333.391 4.453 20 30 EIEDMM CC(C)c1ccc(CCC(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000051266417 214086118 /nfs/dbraw/zinc/08/61/18/214086118.db2.gz AVSCIMGJIRXUPR-UHFFFAOYSA-N -1 1 326.322 4.168 20 30 EIEDMM Cc1cc(C(=O)/C=C\c2cc([N+](=O)[O-])ccc2OC(F)F)ccc1[O-] ZINC000728231943 1020325438 /nfs/dbraw/zinc/32/54/38/1020325438.db2.gz OJSLAISRFLCWNM-UTCJRWHESA-N -1 1 349.289 4.106 20 30 EIEDMM Cc1cc(C(=O)/C=C\c2ccc([O-])c(Br)c2)ccc1O ZINC000728231571 1020328069 /nfs/dbraw/zinc/32/80/69/1020328069.db2.gz LPPHCJRIUPNHKS-DJWKRKHSSA-N -1 1 333.181 4.065 20 30 EIEDMM N#CC(=C([O-])c1ccc2ncccc2c1)c1nc2ccccc2s1 ZINC000340212887 1020637481 /nfs/dbraw/zinc/63/74/81/1020637481.db2.gz BBBRDCGGZSXAPJ-CQSZACIVSA-N -1 1 329.384 4.335 20 30 EIEDMM O=C(/C=C\c1ccc([O-])c(Cl)c1)c1ncc(Br)s1 ZINC000255069551 1020883179 /nfs/dbraw/zinc/88/31/79/1020883179.db2.gz ZEPHFFUXNOJXFL-RQOWECAXSA-N -1 1 344.617 4.161 20 30 EIEDMM Cc1c(-c2ccccc2)nc(S[C@@H](C)c2cccc(C#N)c2)[n-]c1=O ZINC000189880726 1023165219 /nfs/dbraw/zinc/16/52/19/1023165219.db2.gz CHHKLJKFQTTZCO-AWEZNQCLSA-N -1 1 347.443 4.470 20 30 EIEDMM Cc1ccccc1Sc1ccc(C([O-])=C(C#N)c2ccncn2)cc1 ZINC000544815062 1033120525 /nfs/dbraw/zinc/12/05/25/1033120525.db2.gz UZVFANQXOQGCGJ-KRWDZBQOSA-N -1 1 345.427 4.426 20 30 EIEDMM C=CCOc1ccc(CN[C@H](CC(=O)[O-])c2ccc(C)o2)cc1Cl ZINC000426811453 1026575546 /nfs/dbraw/zinc/57/55/46/1026575546.db2.gz UATXDDCKVHHVND-OAHLLOKOSA-N -1 1 349.814 4.112 20 30 EIEDMM C=CCN(Cc1ccccc1)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684871416 1026635706 /nfs/dbraw/zinc/63/57/06/1026635706.db2.gz JVHWVMNHFQXEPD-UHFFFAOYSA-N -1 1 335.325 4.239 20 30 EIEDMM O=C1c2ccc([O-])cc2C/C1=C\c1csc(-c2cccs2)n1 ZINC000588535219 1026870558 /nfs/dbraw/zinc/87/05/58/1026870558.db2.gz RICQVPNDDXUFKO-YRNVUSSQSA-N -1 1 325.414 4.400 20 30 EIEDMM Cc1cc(C)c(C(=O)/C=C/c2cncc(Br)c2)c([O-])c1 ZINC000799895311 1027442426 /nfs/dbraw/zinc/44/24/26/1027442426.db2.gz OVYMRLQJBUWQTD-ONEGZZNKSA-N -1 1 332.197 4.063 20 30 EIEDMM Cc1cccc(C)c1[C@@H](C)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000330880765 1027893374 /nfs/dbraw/zinc/89/33/74/1027893374.db2.gz YQIHFSKRMZZZGV-CYBMUJFWSA-N -1 1 341.455 4.471 20 30 EIEDMM C=CC[C@H]1N(C(=O)c2cc(Cl)c([O-])c(OC)c2)CCCC1(C)C ZINC000444635845 1027895260 /nfs/dbraw/zinc/89/52/60/1027895260.db2.gz LXCWQCWQBVDFSB-OAHLLOKOSA-N -1 1 337.847 4.261 20 30 EIEDMM C=C1CC(c2noc(-c3ccc(NC(=O)OC(C)(C)C)cc3[O-])n2)C1 ZINC000896884689 1028172730 /nfs/dbraw/zinc/17/27/30/1028172730.db2.gz VCFUOSZTOFBMRN-UHFFFAOYSA-N -1 1 343.383 4.223 20 30 EIEDMM C=CCCO[C@H](C)c1nc(-c2cc(Cl)c([O-])c(OCC)c2)no1 ZINC000278189301 1028454022 /nfs/dbraw/zinc/45/40/22/1028454022.db2.gz XPIYKSLBDIYHLQ-SNVBAGLBSA-N -1 1 338.791 4.148 20 30 EIEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc(-c3cnco3)cc2)n1 ZINC000080453046 1028816755 /nfs/dbraw/zinc/81/67/55/1028816755.db2.gz OGTZFIMITRYAJT-AWEZNQCLSA-N -1 1 337.404 4.412 20 30 EIEDMM N#CC(=C([O-])c1ccc(C2(C#N)CC2)cc1)c1nc2ccccc2s1 ZINC000347234473 1028963665 /nfs/dbraw/zinc/96/36/65/1028963665.db2.gz RRDHGKIUDDYWGH-OAHLLOKOSA-N -1 1 343.411 4.342 20 30 EIEDMM CCC(=NNc1nc2ccccc2s1)c1ccc(C(=O)[O-])cc1 ZINC000760217581 1030304534 /nfs/dbraw/zinc/30/45/34/1030304534.db2.gz HBSWAZBHJSSONS-UHFFFAOYSA-N -1 1 325.393 4.221 20 30 EIEDMM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000191217164 1030803226 /nfs/dbraw/zinc/80/32/26/1030803226.db2.gz MHJUKYMFVUROMT-RTBURBONSA-N -1 1 334.419 4.062 20 30 EIEDMM N#CC(=C([O-])c1ccnn1C1CCCC1)c1nc2ccccc2s1 ZINC000531731433 1031510538 /nfs/dbraw/zinc/51/05/38/1031510538.db2.gz FJKRLKVQFZFUDH-CYBMUJFWSA-N -1 1 336.420 4.098 20 30 EIEDMM C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1ccc(Cl)cc1Cl ZINC000614292931 1033953682 /nfs/dbraw/zinc/95/36/82/1033953682.db2.gz IUYOQRFJIYEHCD-VIFPVBQESA-N -1 1 335.190 4.062 20 30 EIEDMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000322194194 1034013339 /nfs/dbraw/zinc/01/33/39/1034013339.db2.gz QYKDTFSPQLPQEV-UHFFFAOYSA-N -1 1 348.855 4.137 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c1 ZINC000614358493 1034460175 /nfs/dbraw/zinc/46/01/75/1034460175.db2.gz XIELRZGWEBRNIZ-UHFFFAOYSA-N -1 1 342.398 4.106 20 30 EIEDMM CCN(C(=O)c1cc([O-])cc(C#N)c1)[C@@H](C)c1cc2ccccc2o1 ZINC000614365446 1034468939 /nfs/dbraw/zinc/46/89/39/1034468939.db2.gz GBOPDIHIVMQABX-ZDUSSCGKSA-N -1 1 334.375 4.233 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccccc2Oc2cccc(F)c2)c1 ZINC000614364200 1034472789 /nfs/dbraw/zinc/47/27/89/1034472789.db2.gz UDADIXVDFSBLKL-UHFFFAOYSA-N -1 1 348.333 4.448 20 30 EIEDMM C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1cccc(Cl)c1Cl ZINC000614369895 1034474764 /nfs/dbraw/zinc/47/47/64/1034474764.db2.gz OOSOLFQSSNOJLC-SECBINFHSA-N -1 1 335.190 4.062 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)N2CCC[C@H]2c2cccc3ccccc32)c1 ZINC000614365421 1034475741 /nfs/dbraw/zinc/47/57/41/1034475741.db2.gz CEXACLQNVAPNPC-NRFANRHFSA-N -1 1 342.398 4.394 20 30 EIEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000597782771 1036342865 /nfs/dbraw/zinc/34/28/65/1036342865.db2.gz ZTYAXRQUWLTUQR-MOPGFXCFSA-N -1 1 334.419 4.062 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)N2CCc3cc(-c4ccccc4)ccc32)c1 ZINC000589190378 1036704242 /nfs/dbraw/zinc/70/42/42/1036704242.db2.gz PBODFAVIMDGZRU-UHFFFAOYSA-N -1 1 340.382 4.134 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)c1 ZINC000589207566 1036710924 /nfs/dbraw/zinc/71/09/24/1036710924.db2.gz BZRRNQBYBATHAM-HBMCJLEFSA-N -1 1 346.430 4.062 20 30 EIEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(SC)cc2)c1 ZINC000589438811 1036794020 /nfs/dbraw/zinc/79/40/20/1036794020.db2.gz DKCFYFWYUVWYQQ-UHFFFAOYSA-N -1 1 349.477 4.164 20 30 EIEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1Cl ZINC000537599849 1038781746 /nfs/dbraw/zinc/78/17/46/1038781746.db2.gz XYMXARMTYKNMFN-UHFFFAOYSA-N -1 1 342.807 4.166 20 30 EIEDMM CCOc1cc(/C=C/C(=O)c2cccc(C#N)c2)cc(Cl)c1[O-] ZINC000128093621 1038899935 /nfs/dbraw/zinc/89/99/35/1038899935.db2.gz CUXCQQGHYYTFDI-VOTSOKGWSA-N -1 1 327.767 4.212 20 30 EIEDMM C=C[C@@H](CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccccc1 ZINC000534765595 1039771494 /nfs/dbraw/zinc/77/14/94/1039771494.db2.gz DUDPNLMJXIXQSP-AWEZNQCLSA-N -1 1 333.391 4.081 20 30 EIEDMM Cc1c(Cl)cc(F)c([N-]C(=O)c2c(F)cc(C#N)cc2F)c1F ZINC000534925281 1039856630 /nfs/dbraw/zinc/85/66/30/1039856630.db2.gz DLARCZGXWUZIJR-UHFFFAOYSA-N -1 1 342.679 4.329 20 30 EIEDMM Cc1coc2ccc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)cc12 ZINC000479553056 1040463545 /nfs/dbraw/zinc/46/35/45/1040463545.db2.gz ORDSWCODBCAYLY-UHFFFAOYSA-N -1 1 346.795 4.067 20 30 EIEDMM C=CCN(Cc1ccc(OC)cc1)[C@H](C)c1cc(C(=O)[O-])c(C)o1 ZINC000519713084 1040835402 /nfs/dbraw/zinc/83/54/02/1040835402.db2.gz XTOKJYCNHWOFIR-CYBMUJFWSA-N -1 1 329.396 4.044 20 30 EIEDMM CC(=NNc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1[O-] ZINC000727778149 1043285619 /nfs/dbraw/zinc/28/56/19/1043285619.db2.gz ZSPKTMZHEFCQOD-UHFFFAOYSA-N -1 1 328.265 4.266 20 30 EIEDMM Cc1ccc(CCC2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)cc1 ZINC000442902727 1043891000 /nfs/dbraw/zinc/89/10/00/1043891000.db2.gz RNDWEWGEYIDVGC-UHFFFAOYSA-N -1 1 348.446 4.057 20 30 EIEDMM CC(C)(C)[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(F)cc1F ZINC000443042969 1043978568 /nfs/dbraw/zinc/97/85/68/1043978568.db2.gz CXNXUIKLSFYYNW-QGZVFWFLSA-N -1 1 344.361 4.059 20 30 EIEDMM N#Cc1cc(Br)ccc1Nc1ccc([O-])c(F)c1F ZINC001212007397 1045827287 /nfs/dbraw/zinc/82/72/87/1045827287.db2.gz ALFRZAWQWDWEFR-UHFFFAOYSA-N -1 1 325.112 4.048 20 30 EIEDMM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1c([O-])cccc1Cl ZINC000769738143 1046063284 /nfs/dbraw/zinc/06/32/84/1046063284.db2.gz IGOUENJKWKGADO-UHFFFAOYSA-N -1 1 342.826 4.216 20 30 EIEDMM CC(=NNc1ccc(F)c([N+](=O)[O-])c1)c1ccc2ccccc2c1[O-] ZINC000769830984 1046089480 /nfs/dbraw/zinc/08/94/80/1046089480.db2.gz TYWOOTLIXOIOOO-UHFFFAOYSA-N -1 1 339.326 4.429 20 30 EIEDMM O=C(/C=C/c1cc(C(F)(F)F)ccc1F)c1cc(O)ccc1[O-] ZINC000757467175 1046191544 /nfs/dbraw/zinc/19/15/44/1046191544.db2.gz BNJKHGLISUKYDO-ORCRQEGFSA-N -1 1 326.245 4.152 20 30 EIEDMM COc1ccc([O-])c(C(=O)/C=C\c2ncc(-c3ccccc3)s2)c1 ZINC000770573334 1046224999 /nfs/dbraw/zinc/22/49/99/1046224999.db2.gz XAVAEJYMIZDQOM-KTKRTIGZSA-N -1 1 337.400 4.420 20 30 EIEDMM CC[C@@H](C)[C@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)c1ccccc1 ZINC000072673426 1048042766 /nfs/dbraw/zinc/04/27/66/1048042766.db2.gz DGTRYJQPSTWQLQ-KOLCDFICSA-N -1 1 326.322 4.241 20 30 EIEDMM N#Cc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)c([O-])c1 ZINC001143701601 1048163610 /nfs/dbraw/zinc/16/36/10/1048163610.db2.gz KSWXCQHBYRVXJW-UHFFFAOYSA-N -1 1 342.398 4.425 20 30 EIEDMM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3scnc3Cl)sc2C1 ZINC000920078195 1048433596 /nfs/dbraw/zinc/43/35/96/1048433596.db2.gz BVKHIHFKTRGRSW-SSDOTTSWSA-N -1 1 337.857 4.107 20 30 EIEDMM CCOc1cc(C#N)ccc1OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810528574 1048808336 /nfs/dbraw/zinc/80/83/36/1048808336.db2.gz SWLHDXGFUBGIOW-UHFFFAOYSA-N -1 1 346.795 4.372 20 30 EIEDMM [O-]c1ccc(C=NNc2ccc(OC(F)(F)F)cc2)cc1Cl ZINC000921257696 1048895007 /nfs/dbraw/zinc/89/50/07/1048895007.db2.gz OYRVBKAUVHFGLZ-UHFFFAOYSA-N -1 1 330.693 4.390 20 30 EIEDMM [O-]/N=C/c1cc(N[C@@H]2COCc3ccccc32)cc(C(F)(F)F)c1 ZINC001171293611 1049077362 /nfs/dbraw/zinc/07/73/62/1049077362.db2.gz DSOPZURWCFTSIX-ITFLWDOHSA-N -1 1 336.313 4.197 20 30 EIEDMM Cc1ccc(C(=O)Nc2nc(-c3ccc(C#N)s3)cs2)c([O-])c1 ZINC001148498077 1049328746 /nfs/dbraw/zinc/32/87/46/1049328746.db2.gz ADRQFHDUIVGHRA-UHFFFAOYSA-N -1 1 341.417 4.010 20 30 EIEDMM N#CC(=C([O-])C=Cc1cccc(F)c1)c1cc(C(F)(F)F)ccn1 ZINC000813215888 1049709394 /nfs/dbraw/zinc/70/93/94/1049709394.db2.gz CLLAZZRPWDNUND-NNTXTVRGSA-N -1 1 334.272 4.129 20 30 EIEDMM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC001136666791 1049820793 /nfs/dbraw/zinc/82/07/93/1049820793.db2.gz DLELPCNGGTWGFA-MRXNPFEDSA-N -1 1 342.826 4.338 20 30 EIEDMM CCc1c(C)sc([N-]C(=O)c2cc(-c3ccccc3)no2)c1C#N ZINC000068677503 1049889724 /nfs/dbraw/zinc/88/97/24/1049889724.db2.gz FRQIQUYEPYWFKF-UHFFFAOYSA-N -1 1 337.404 4.398 20 30 EIEDMM CC(C)(c1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1)C(F)(F)F ZINC000617649949 1050080130 /nfs/dbraw/zinc/08/01/30/1050080130.db2.gz HMLYFFXUQGFCHQ-UHFFFAOYSA-N -1 1 348.324 4.356 20 30 EIEDMM CC(C)c1cc(C(=O)[N-]c2ccccc2SC[C@H](C)C#N)on1 ZINC000070859322 1050917666 /nfs/dbraw/zinc/91/76/66/1050917666.db2.gz LLCDBTKQQWWJFJ-GFCCVEGCSA-N -1 1 329.425 4.302 20 30 EIEDMM N#Cc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CC2)c([O-])c1 ZINC001180860258 1051096184 /nfs/dbraw/zinc/09/61/84/1051096184.db2.gz PIDPAWYBBVTLRH-UHFFFAOYSA-N -1 1 347.201 4.241 20 30 EIEDMM N#Cc1ccc(NC(=O)Cc2cccc(-c3ccccc3)c2)c([O-])c1 ZINC001181109598 1051150493 /nfs/dbraw/zinc/15/04/93/1051150493.db2.gz JJMBMGSVUWMEQZ-UHFFFAOYSA-N -1 1 328.371 4.112 20 30 EIEDMM C=CCC1(S(=O)(=O)[N-]c2ccccc2Oc2ccc(F)cc2)CC1 ZINC001190766262 1051272350 /nfs/dbraw/zinc/27/23/50/1051272350.db2.gz JDZZADWNGKKCKE-UHFFFAOYSA-N -1 1 347.411 4.468 20 30 EIEDMM N#Cc1c(F)c(Br)ccc1Nc1c(F)cc([O-])cc1F ZINC001175099345 1051345080 /nfs/dbraw/zinc/34/50/80/1051345080.db2.gz BKEKWRPASHBBGG-UHFFFAOYSA-N -1 1 343.102 4.187 20 30 EIEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)c2ccccc21 ZINC001193857638 1052014967 /nfs/dbraw/zinc/01/49/67/1052014967.db2.gz NTSCTFMBLXPWRA-UHFFFAOYSA-N -1 1 336.416 4.129 20 30 EIEDMM COc1c(Cl)c(Cl)sc1C(=O)[N-]c1ccsc1C#N ZINC001194548439 1052168094 /nfs/dbraw/zinc/16/80/94/1052168094.db2.gz MMYAHAGRAWIPKD-UHFFFAOYSA-N -1 1 333.221 4.249 20 30 EIEDMM O=C(/C=C\c1c(Cl)nc2cc(Cl)ccn12)c1ccc([O-])cc1 ZINC000794692167 1053316025 /nfs/dbraw/zinc/31/60/25/1053316025.db2.gz STAMJKATRUHPPQ-WAYWQWQTSA-N -1 1 333.174 4.243 20 30 EIEDMM Cc1ccc(NC(=O)c2cc([O-])cc(-c3cccc(C#N)c3)c2)cc1O ZINC001196318750 1053636639 /nfs/dbraw/zinc/63/66/39/1053636639.db2.gz KVXRHGQTJWLVKR-UHFFFAOYSA-N -1 1 344.370 4.197 20 30 EIEDMM COc1ccc2[nH]c3c(c2c1)C(=O)/C(=C/c1ccc([O-])c(F)c1)CC3 ZINC000765612806 1053810574 /nfs/dbraw/zinc/81/05/74/1053810574.db2.gz FSABRLPPYHQAJO-XYOKQWHBSA-N -1 1 337.350 4.234 20 30 EIEDMM COc1ccc2[nH]c3c(c2c1)C(=O)/C(=C\c1ccc([O-])c(F)c1)CC3 ZINC000765612804 1053810662 /nfs/dbraw/zinc/81/06/62/1053810662.db2.gz FSABRLPPYHQAJO-WQLSENKSSA-N -1 1 337.350 4.234 20 30 EIEDMM CCOc1ccc(/C=C2/CCc3cc([O-])ccc3C2=O)cc1OCC ZINC000206808917 1053844793 /nfs/dbraw/zinc/84/47/93/1053844793.db2.gz JPAOYGXEOHKIOD-WJDWOHSUSA-N -1 1 338.403 4.402 20 30 EIEDMM Cc1cc2ccccc2nc1N=NC(C)c1ccc(C(=O)[O-])c(F)c1 ZINC000776785929 1053876456 /nfs/dbraw/zinc/87/64/56/1053876456.db2.gz NDQINJROXBSVMM-UHFFFAOYSA-N -1 1 337.354 4.217 20 30 EIEDMM CC[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201287309 1054735205 /nfs/dbraw/zinc/73/52/05/1054735205.db2.gz FIRQURBRNMTVCM-CYBMUJFWSA-N -1 1 328.437 4.181 20 30 EIEDMM Cc1cc(C#N)ccc1CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000186306959 1055339168 /nfs/dbraw/zinc/33/91/68/1055339168.db2.gz IJGUIVNZFBTMFK-UHFFFAOYSA-N -1 1 347.443 4.218 20 30 EIEDMM COc1cc(F)c(C(=O)/C=C\c2ccc([O-])c(Cl)c2)cc1OC ZINC000760271113 1032197932 /nfs/dbraw/zinc/19/79/32/1032197932.db2.gz YHOWODYPZGXUHO-HYXAFXHYSA-N -1 1 336.746 4.098 20 30 EIEDMM N#CCCn1cc(/C=C/C(=O)c2ccc([O-])cc2)c(-c2ccccc2)n1 ZINC000007718018 1032501528 /nfs/dbraw/zinc/50/15/28/1032501528.db2.gz ITKWGDTWRQAHTI-FMIVXFBMSA-N -1 1 343.386 4.065 20 30 EIEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)C1c2ccccc2-c2ccccc21 ZINC000188612074 1021643153 /nfs/dbraw/zinc/64/31/53/1021643153.db2.gz OURBNLJBSQCXIQ-UHFFFAOYSA-N -1 1 340.382 4.106 20 30 EIEDMM CCc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)oc1CC ZINC000177946043 1021819665 /nfs/dbraw/zinc/81/96/65/1021819665.db2.gz YUYLAPLPATWAHS-AWEZNQCLSA-N -1 1 344.798 4.019 20 30 EIEDMM C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000066801288 1022462916 /nfs/dbraw/zinc/46/29/16/1022462916.db2.gz RHQKGCQFODHDPO-JTQLQIEISA-N -1 1 347.421 4.303 20 30 EIEDMM CCOc1cccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430583169 1023110377 /nfs/dbraw/zinc/11/03/77/1023110377.db2.gz MFRBMHKXPCTKLP-CQSZACIVSA-N -1 1 328.437 4.329 20 30 EIEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000511742552 1023847553 /nfs/dbraw/zinc/84/75/53/1023847553.db2.gz XZORSEHBQUCSRC-UHFFFAOYSA-N -1 1 331.437 4.176 20 30 EIEDMM CCc1ccc(S(=O)(=O)[N-]c2ccccc2SCCC#N)cc1 ZINC000341803785 1024723929 /nfs/dbraw/zinc/72/39/29/1024723929.db2.gz YBQZNPLAFCGUMB-UHFFFAOYSA-N -1 1 346.477 4.056 20 30 EIEDMM C=CCCS(=O)(=O)[N-]c1ccccc1Oc1cc(F)cc(F)c1 ZINC000431196846 1024848472 /nfs/dbraw/zinc/84/84/72/1024848472.db2.gz HZQJTGGNEAPVCR-UHFFFAOYSA-N -1 1 339.363 4.075 20 30 EIEDMM CCCCOc1ccc(/C=C/C(=O)c2ccc([O-])cc2)cc1OC ZINC000005128132 1025334112 /nfs/dbraw/zinc/33/41/12/1025334112.db2.gz ZRKXNFCUUQZAQX-VZUCSPMQSA-N -1 1 326.392 4.476 20 30 EIEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000303193320 1025482303 /nfs/dbraw/zinc/48/23/03/1025482303.db2.gz MZUAVRKHGLXEGA-UHFFFAOYSA-N -1 1 331.437 4.059 20 30 EIEDMM COc1cccc(-c2nc(/C=C3\Cc4cc([O-])ccc4C3=O)cs2)c1 ZINC000588535236 1026870709 /nfs/dbraw/zinc/87/07/09/1026870709.db2.gz XJYPYQIHUBDHBG-RIYZIHGNSA-N -1 1 349.411 4.347 20 30 EIEDMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cc1 ZINC000530605993 1030582127 /nfs/dbraw/zinc/58/21/27/1030582127.db2.gz KMCPRMPFMCCDMW-CYBMUJFWSA-N -1 1 328.437 4.181 20 30 EIEDMM N#Cc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)cc1[O-] ZINC000527488421 1030723042 /nfs/dbraw/zinc/72/30/42/1030723042.db2.gz YFLXOUJGZYQCOZ-VAMGGRTRSA-N -1 1 346.430 4.062 20 30 EIEDMM Cc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)ccc1-n1cccn1 ZINC000647380340 1030910330 /nfs/dbraw/zinc/91/03/30/1030910330.db2.gz FETOQZDJWCNONE-OAHLLOKOSA-N -1 1 348.431 4.005 20 30 EIEDMM COc1cc(/C=C2\Oc3ccc(Cl)cc3C2=O)cc(Cl)c1[O-] ZINC000729149819 1034729104 /nfs/dbraw/zinc/72/91/04/1034729104.db2.gz HABDQQXSLAMBLQ-NSIKDUERSA-N -1 1 337.158 4.324 20 30 EIEDMM Cc1cccc2c1C/C(=C/c1ccc([O-])c(Br)c1)C2=O ZINC000729151467 1034733785 /nfs/dbraw/zinc/73/37/85/1034733785.db2.gz SGFLLBWCGOZRLF-GHXNOFRVSA-N -1 1 329.193 4.286 20 30 EIEDMM COc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1Cl ZINC000345573998 1035257154 /nfs/dbraw/zinc/25/71/54/1035257154.db2.gz WBQRQKWDEPGWKG-NSHDSACASA-N -1 1 334.828 4.419 20 30 EIEDMM CCN(Cc1ccc2ccccc2c1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589168010 1036681284 /nfs/dbraw/zinc/68/12/84/1036681284.db2.gz PWPRSZHUBNEUJJ-UHFFFAOYSA-N -1 1 330.387 4.079 20 30 EIEDMM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589173201 1036686405 /nfs/dbraw/zinc/68/64/05/1036686405.db2.gz DBUNQZZHYWWNBE-UXHICEINSA-N -1 1 334.419 4.062 20 30 EIEDMM Cn1c(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cc2ccccc21 ZINC000592974140 1037884933 /nfs/dbraw/zinc/88/49/33/1037884933.db2.gz ODVXPFBXVCMTLN-ZDUSSCGKSA-N -1 1 349.390 4.417 20 30 EIEDMM C=CCCc1ccccc1NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000504289334 1038311374 /nfs/dbraw/zinc/31/13/74/1038311374.db2.gz LGGFERSCJUGUON-UHFFFAOYSA-N -1 1 331.799 4.425 20 30 EIEDMM N#CC(=C([O-])c1cc2c(s1)-c1ccccc1OC2)c1ccccn1 ZINC000046706013 1038436722 /nfs/dbraw/zinc/43/67/22/1038436722.db2.gz OFAQRRSQPDVRRR-AWEZNQCLSA-N -1 1 332.384 4.193 20 30 EIEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc2ccccc2s1 ZINC000122216485 1039599698 /nfs/dbraw/zinc/59/96/98/1039599698.db2.gz WMPPIIZDBCLTKW-CYBMUJFWSA-N -1 1 331.400 4.278 20 30 EIEDMM C=Cc1ccc(S(=O)(=O)[N-]c2ccccc2SCCC#N)cc1 ZINC000436476603 1041274164 /nfs/dbraw/zinc/27/41/64/1041274164.db2.gz JNSGBJOYXHLYSJ-UHFFFAOYSA-N -1 1 344.461 4.136 20 30 EIEDMM N#Cc1ccc(Oc2cccc(NC(=O)c3ccccc3[O-])c2)cc1 ZINC000436677653 1041416769 /nfs/dbraw/zinc/41/67/69/1041416769.db2.gz YMRJRWNRIOYMNO-UHFFFAOYSA-N -1 1 330.343 4.308 20 30 EIEDMM N#CCCC[C@H](NC(=O)c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000436931046 1041554230 /nfs/dbraw/zinc/55/42/30/1041554230.db2.gz YUUZHDXIKBVYKP-INIZCTEOSA-N -1 1 328.799 4.211 20 30 EIEDMM N#CC(=C([O-])c1cccc([C@H]2CCOC2)c1)c1nc2ccccc2s1 ZINC000536441027 1042869546 /nfs/dbraw/zinc/86/95/46/1042869546.db2.gz BILADSFHJRQTCN-HOTGVXAUSA-N -1 1 348.427 4.290 20 30 EIEDMM Cc1cc([O-])cc2c1C(=O)/C(=C/c1cnc(-c3ccccc3)s1)O2 ZINC000727267009 1043179922 /nfs/dbraw/zinc/17/99/22/1043179922.db2.gz MHLYRZFFWIPREF-SXGWCWSVSA-N -1 1 335.384 4.440 20 30 EIEDMM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000191569638 1043827758 /nfs/dbraw/zinc/82/77/58/1043827758.db2.gz MVUUUNXSNUNSAZ-UHFFFAOYSA-N -1 1 340.448 4.211 20 30 EIEDMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1 ZINC000193357329 1044045015 /nfs/dbraw/zinc/04/50/15/1044045015.db2.gz LWNDEIPVOLUUCN-CQSZACIVSA-N -1 1 328.437 4.067 20 30 EIEDMM O=C1c2ccc([O-])cc2C/C1=C/c1cnc(-c2cccs2)s1 ZINC000187223296 1044396665 /nfs/dbraw/zinc/39/66/65/1044396665.db2.gz NTCNRUBDIUUFGX-FLIBITNWSA-N -1 1 325.414 4.400 20 30 EIEDMM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000317366039 1044470827 /nfs/dbraw/zinc/47/08/27/1044470827.db2.gz SVYKMKDMIBZDHR-UHFFFAOYSA-N -1 1 334.828 4.136 20 30 EIEDMM O=C([O-])c1cc(N=NC(c2ccc(F)cc2)C2CC2)ccc1Cl ZINC000914692945 1044661972 /nfs/dbraw/zinc/66/19/72/1044661972.db2.gz CGZZQGDIJQSGAM-UHFFFAOYSA-N -1 1 332.762 4.404 20 30 EIEDMM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3nc(Cl)cs3)sc2C1 ZINC000790626047 1045552132 /nfs/dbraw/zinc/55/21/32/1045552132.db2.gz UITHRURKMRZPDE-SSDOTTSWSA-N -1 1 337.857 4.107 20 30 EIEDMM N#C[C@@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1)C1CCCCC1 ZINC000768187901 1045747878 /nfs/dbraw/zinc/74/78/78/1045747878.db2.gz YJQBZLDQVPJWBH-CQSZACIVSA-N -1 1 326.774 4.020 20 30 EIEDMM N#Cc1ccc(Br)cc1Nc1ccc([O-])c(F)c1F ZINC001212007707 1045828821 /nfs/dbraw/zinc/82/88/21/1045828821.db2.gz YUVBUNLFBRASBS-UHFFFAOYSA-N -1 1 325.112 4.048 20 30 EIEDMM N#Cc1cc(Nc2ccc([O-])c(F)c2F)ccc1N1CCCCC1 ZINC001212011157 1045832176 /nfs/dbraw/zinc/83/21/76/1045832176.db2.gz VOWJFOWAEDYXTA-UHFFFAOYSA-N -1 1 329.350 4.276 20 30 EIEDMM CC(N=Nc1oc(C(C)(C)C)nc1C#N)c1ccc([O-])c(Cl)c1 ZINC000768767729 1045833785 /nfs/dbraw/zinc/83/37/85/1045833785.db2.gz JOAMZUUPDWELBL-UHFFFAOYSA-N -1 1 332.791 4.039 20 30 EIEDMM CC(N=Nc1ccc(C(=O)[O-])cc1)c1ccc(OC(F)(F)F)cc1 ZINC000915933656 1045842909 /nfs/dbraw/zinc/84/29/09/1045842909.db2.gz MZIJOXGRJQYCHW-UHFFFAOYSA-N -1 1 338.285 4.120 20 30 EIEDMM CCOc1cc(C=NNc2cc([N+](=O)[O-])ccc2C)cc(Cl)c1[O-] ZINC000747061370 1045879947 /nfs/dbraw/zinc/87/99/47/1045879947.db2.gz GDRSZCWIWPEMCW-UHFFFAOYSA-N -1 1 349.774 4.107 20 30 EIEDMM CC(CCC1CCCC1)=NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000769807438 1046080235 /nfs/dbraw/zinc/08/02/35/1046080235.db2.gz MLVMJGDQQRHBFU-UHFFFAOYSA-N -1 1 344.463 4.045 20 30 EIEDMM C#CCCCCCc1nc(-c2cc(Cl)c([O-])c(OCC)c2)no1 ZINC000771108543 1046331252 /nfs/dbraw/zinc/33/12/52/1046331252.db2.gz KYVXXQCYMNOZET-UHFFFAOYSA-N -1 1 334.803 4.230 20 30 EIEDMM C=C(Cl)COc1ccc(C(C)N=Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000917529362 1046959948 /nfs/dbraw/zinc/95/99/48/1046959948.db2.gz NQCMVCRUBJBXOG-UHFFFAOYSA-N -1 1 344.798 4.352 20 30 EIEDMM CC(=NNc1nc2ccccc2s1)c1cc(C(=O)[O-])ccc1C ZINC000788408114 1047186376 /nfs/dbraw/zinc/18/63/76/1047186376.db2.gz LJVDEYUZFJZPEM-UHFFFAOYSA-N -1 1 325.393 4.139 20 30 EIEDMM Cc1cc(C#N)cc(C)c1CSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000918462227 1047452819 /nfs/dbraw/zinc/45/28/19/1047452819.db2.gz CUEHGUMVOJFSOU-UHFFFAOYSA-N -1 1 325.437 4.149 20 30 EIEDMM Cc1ccc(-c2nc(/C=C3\Oc4cc([O-])ccc4C3=O)cs2)cc1 ZINC000918711813 1047607540 /nfs/dbraw/zinc/60/75/40/1047607540.db2.gz BHFVLNIMUHGPDN-IUXPMGMMSA-N -1 1 335.384 4.440 20 30 EIEDMM C=C[C@H](C)O[N-]C(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1 ZINC001144589455 1048740905 /nfs/dbraw/zinc/74/09/05/1048740905.db2.gz NNJHZLCJAGTQFQ-HNNXBMFYSA-N -1 1 346.430 4.375 20 30 EIEDMM O=C1c2cccc(F)c2C/C1=C/c1ccc([O-])c(Br)c1 ZINC000921266103 1048898529 /nfs/dbraw/zinc/89/85/29/1048898529.db2.gz IWUSPWPHGWVPAQ-POHAHGRESA-N -1 1 333.156 4.116 20 30 EIEDMM O=C([N-]c1cc(F)c(F)c(F)c1F)c1cc(F)c(F)c(F)c1F ZINC001132716081 1049012930 /nfs/dbraw/zinc/01/29/30/1049012930.db2.gz MPHKDFAIGHZJNJ-UHFFFAOYSA-N -1 1 341.157 4.052 20 30 EIEDMM O=C(/C=C/c1ccc([O-])c(Cl)c1)c1ccc(Br)nc1 ZINC000811695677 1049233551 /nfs/dbraw/zinc/23/35/51/1049233551.db2.gz CGIGCZNVVICRBI-DAFODLJHSA-N -1 1 338.588 4.099 20 30 EIEDMM N#C[C@H](NC(=O)c1cccc(-c2ccccc2)c1[O-])c1ccccc1 ZINC001148861794 1049392000 /nfs/dbraw/zinc/39/20/00/1049392000.db2.gz YQOVCJVFYYCGGV-IBGZPJMESA-N -1 1 328.371 4.054 20 30 EIEDMM N#Cc1ccsc1[N-]C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000812827090 1049589395 /nfs/dbraw/zinc/58/93/95/1049589395.db2.gz FCXBPNFGGOICEN-UHFFFAOYSA-N -1 1 342.163 4.087 20 30 EIEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc(C3(C#N)CC3)cc2)n1 ZINC000180068400 1049837864 /nfs/dbraw/zinc/83/78/64/1049837864.db2.gz WYOYHPCJSIBWMB-OAHLLOKOSA-N -1 1 335.432 4.312 20 30 EIEDMM N#Cc1cc([O-])cc(C(=O)N2C[C@H](c3ccccc3)c3ccccc32)c1 ZINC000618257915 1050323319 /nfs/dbraw/zinc/32/33/19/1050323319.db2.gz UYUAHZHLTXCZTJ-HXUWFJFHSA-N -1 1 340.382 4.056 20 30 EIEDMM CCCCCCCCC[C@H](CCC)Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001173284446 1050410287 /nfs/dbraw/zinc/41/02/87/1050410287.db2.gz HFLRJXRCFFJFJO-ZDUSSCGKSA-N -1 1 349.479 4.437 20 30 EIEDMM CC(C)Oc1ccc(C#N)cc1NCc1cc(Cl)cc(F)c1[O-] ZINC001178900405 1050586456 /nfs/dbraw/zinc/58/64/56/1050586456.db2.gz CIIRCMPJSWVWPH-UHFFFAOYSA-N -1 1 334.778 4.456 20 30 EIEDMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2C)cc1 ZINC001190423429 1051180127 /nfs/dbraw/zinc/18/01/27/1051180127.db2.gz XCVCZJGXNRBIGF-UHFFFAOYSA-N -1 1 342.464 4.355 20 30 EIEDMM N#Cc1ccc(Br)cc1Nc1c(F)cc([O-])cc1F ZINC001175100204 1051348181 /nfs/dbraw/zinc/34/81/81/1051348181.db2.gz NPOIDRGRMYQSFI-UHFFFAOYSA-N -1 1 325.112 4.048 20 30 EIEDMM CCCCc1ccc(S(=O)(=O)[N-]c2c(C)cc(C#N)cc2C)cc1 ZINC001191248493 1051410922 /nfs/dbraw/zinc/41/09/22/1051410922.db2.gz DJLUYKYSHMOGRS-UHFFFAOYSA-N -1 1 342.464 4.319 20 30 EIEDMM CC(C)(C)c1cc([N-]C(=O)c2scnc2Cl)c(C#N)s1 ZINC000774164421 1051491112 /nfs/dbraw/zinc/49/11/12/1051491112.db2.gz RGUGTGXTYCLOAG-UHFFFAOYSA-N -1 1 325.846 4.279 20 30 EIEDMM O=C1c2ccc([O-])cc2O/C1=C\c1csc(-c2ccc(F)cc2)n1 ZINC000071813694 1051706689 /nfs/dbraw/zinc/70/66/89/1051706689.db2.gz NHKVRTACHOALGS-APSNUPSMSA-N -1 1 339.347 4.271 20 30 EIEDMM Cc1ccccc1/N=N/c1ccc([N-]S(=O)(=O)[C@@H](C)C#N)c(C)c1 ZINC001193159049 1051882410 /nfs/dbraw/zinc/88/24/10/1051882410.db2.gz ZGHZFLSMKKNJMW-YISVQYQQSA-N -1 1 342.424 4.373 20 30 EIEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c3ccccc32)cc1C#N ZINC001193857485 1052015449 /nfs/dbraw/zinc/01/54/49/1052015449.db2.gz LTKAXADHONRKIY-UHFFFAOYSA-N -1 1 336.416 4.129 20 30 EIEDMM N#CC(=C([O-])c1ccc(-c2ccccc2)[nH]1)c1nc2ccccc2o1 ZINC000171797378 1052451267 /nfs/dbraw/zinc/45/12/67/1052451267.db2.gz ILGPMPPVNZLISA-CQSZACIVSA-N -1 1 327.343 4.313 20 30 EIEDMM C=C1CC=C(F)C=C1NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1 ZINC001196329501 1053640483 /nfs/dbraw/zinc/64/04/83/1053640483.db2.gz CZCKQNQLIIRXPF-UHFFFAOYSA-N -1 1 346.361 4.358 20 30 EIEDMM N#Cc1c([O-])csc1NC(=S)Nc1ccccc1C(F)(F)F ZINC001197231689 1053857556 /nfs/dbraw/zinc/85/75/56/1053857556.db2.gz CIIGEOFPRDCWOO-UHFFFAOYSA-N -1 1 343.355 4.153 20 30 EIEDMM CC(C)(C#N)c1cccc([N-]S(=O)(=O)c2ccc3occc3c2)c1 ZINC001198861864 1054285944 /nfs/dbraw/zinc/28/59/44/1054285944.db2.gz LVXZOAOZVBAKIA-UHFFFAOYSA-N -1 1 340.404 4.035 20 30 EIEDMM CCc1ccc(NC(=O)C(C#N)=C([O-])c2oc(C(F)F)cc2C)cc1 ZINC000860469781 1054819081 /nfs/dbraw/zinc/81/90/81/1054819081.db2.gz KSLVKPZNTNVSDK-ZDUSSCGKSA-N -1 1 346.333 4.049 20 30 EIEDMM CCc1cnccc1C(=O)/C=C/c1ccc([O-])c(Br)c1 ZINC000766771579 1060883019 /nfs/dbraw/zinc/88/30/19/1060883019.db2.gz FKAVTEIXSGTYEF-HWKANZROSA-N -1 1 332.197 4.008 20 30 EIEDMM