smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](C)Sc1ccc(NC(=O)c2[n-]c(=O)c(C#N)cc2C)c(C)c1 ZINC001626067410 1125488853 /nfs/dbraw/zinc/48/88/53/1125488853.db2.gz MIAJUDCISABKHA-CYBMUJFWSA-N -1 0 355.463 4.419 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2C(=O)c2ccc(C)cc2)n1 ZINC000182841630 1125646715 /nfs/dbraw/zinc/64/67/15/1125646715.db2.gz WDBYWVTWVVTLQC-SFHVURJKSA-N -1 0 360.438 4.481 20 30 FIEDRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)c1C ZINC000183134270 1125759598 /nfs/dbraw/zinc/75/95/98/1125759598.db2.gz GTJMIUUQGNJIBO-CQSZACIVSA-N -1 0 358.463 4.012 20 30 FIEDRM CCCCn1ncc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)c1CC ZINC000683221893 1080025924 /nfs/dbraw/zinc/02/59/24/1080025924.db2.gz BAWIHROLXUJAGI-CYBMUJFWSA-N -1 0 370.453 4.484 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCn1ccc2ccccc21 ZINC000121020318 1081198760 /nfs/dbraw/zinc/19/87/60/1081198760.db2.gz RHSCRUNFAMGSMM-GOSISDBHSA-N -1 0 369.424 4.413 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CSc1ccccc1C ZINC000121033999 1081225296 /nfs/dbraw/zinc/22/52/96/1081225296.db2.gz GZFRIKBDLJCNDO-INIZCTEOSA-N -1 0 362.454 4.469 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CSc1ccccc1C ZINC000121033852 1081225511 /nfs/dbraw/zinc/22/55/11/1081225511.db2.gz GZFRIKBDLJCNDO-MRXNPFEDSA-N -1 0 362.454 4.469 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCC(=O)c1cccs1 ZINC000121048153 1081271339 /nfs/dbraw/zinc/27/13/39/1081271339.db2.gz GLBZMZHODKHOOK-CQSZACIVSA-N -1 0 364.426 4.093 20 30 FIEDRM Cc1nc(-c2ccc(C/N=C/c3cc([N+](=O)[O-])ccc3[O-])s2)cs1 ZINC000035387839 1081278524 /nfs/dbraw/zinc/27/85/24/1081278524.db2.gz UBDHVVJWZUZPHQ-REZTVBANSA-N -1 0 359.432 4.413 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCC(=O)c2cc(C)ccc2C)c(C)c1 ZINC000048475063 1081300248 /nfs/dbraw/zinc/30/02/48/1081300248.db2.gz AYEJIFVXPSPMRF-UHFFFAOYSA-N -1 0 373.474 4.229 20 30 FIEDRM CC(C)Oc1ccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)nc1 ZINC000683689958 1081387426 /nfs/dbraw/zinc/38/74/26/1081387426.db2.gz VMSWHKWULJCZID-CYBMUJFWSA-N -1 0 355.394 4.108 20 30 FIEDRM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cccc(OC)c1F ZINC000656183943 1081868935 /nfs/dbraw/zinc/86/89/35/1081868935.db2.gz UOXAEGOYSOFARM-UHFFFAOYSA-N -1 0 363.454 4.487 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000430587937 1082530024 /nfs/dbraw/zinc/53/00/24/1082530024.db2.gz BPAOJMNEMHOFSQ-LLVKDONJSA-N -1 0 363.826 4.492 20 30 FIEDRM CCOc1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cc1[N+](=O)[O-] ZINC000430590574 1082535800 /nfs/dbraw/zinc/53/58/00/1082535800.db2.gz LCWOYPPNNZKFPG-LBPRGKRZSA-N -1 0 373.434 4.238 20 30 FIEDRM CO[C@@H](C)c1nc(C)c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)s1 ZINC000430611839 1082659975 /nfs/dbraw/zinc/65/99/75/1082659975.db2.gz PTDWTHHPWPGVFC-WDEREUQCSA-N -1 0 363.508 4.403 20 30 FIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3noc4c3CCCC4)n2)cc1 ZINC000051154804 1082782040 /nfs/dbraw/zinc/78/20/40/1082782040.db2.gz OJZGQFCTJCPGGC-HNNXBMFYSA-N -1 0 363.442 4.475 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)nn1-c1ccccc1 ZINC000430636643 1082791661 /nfs/dbraw/zinc/79/16/61/1082791661.db2.gz ZAIRLSRKIOMPEG-OAHLLOKOSA-N -1 0 364.474 4.425 20 30 FIEDRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000077881675 1082798405 /nfs/dbraw/zinc/79/84/05/1082798405.db2.gz JAZQZSMFKZXHOL-XBFCOCLRSA-N -1 0 365.401 4.116 20 30 FIEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000588425302 1082809616 /nfs/dbraw/zinc/80/96/16/1082809616.db2.gz IWNWLVVFSCZTOT-UXBLZVDNSA-N -1 0 361.737 4.060 20 30 FIEDRM CC(C)Cn1nccc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000647192769 1082979873 /nfs/dbraw/zinc/97/98/73/1082979873.db2.gz XUMVKAOZSZBINM-LBPRGKRZSA-N -1 0 358.854 4.292 20 30 FIEDRM N#CC(=C([O-])c1csc(N2CCCCC2)n1)c1ccc2ccccc2n1 ZINC000892427619 1083365314 /nfs/dbraw/zinc/36/53/14/1083365314.db2.gz PBNYCVIZSRCTHE-HNNXBMFYSA-N -1 0 362.458 4.172 20 30 FIEDRM Cn1cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)c(C(C)(C)C)n1 ZINC000092314814 1083375037 /nfs/dbraw/zinc/37/50/37/1083375037.db2.gz XHMAHRFJUJFRNR-NSHDSACASA-N -1 0 372.881 4.471 20 30 FIEDRM O=C1COc2cc(N=Cc3cc(Cl)cc(Cl)c3[O-])c(Cl)cc2N1 ZINC000255424195 1083839588 /nfs/dbraw/zinc/83/95/88/1083839588.db2.gz MKHWBZSUIPFWBM-UHFFFAOYSA-N -1 0 371.607 4.434 20 30 FIEDRM N#CC(=C([O-])c1ccnc(C#N)c1)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000684631297 1083930683 /nfs/dbraw/zinc/93/06/83/1083930683.db2.gz OCYLYIBYXQGXEA-GFCCVEGCSA-N -1 0 372.331 4.072 20 30 FIEDRM CCc1ccsc1C(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000066003728 1083944793 /nfs/dbraw/zinc/94/47/93/1083944793.db2.gz UQXYUWBGFUTNNN-UHFFFAOYSA-N -1 0 363.382 4.023 20 30 FIEDRM CCOc1ccc(CCC(=O)[N-]S(=O)(=O)c2ccccc2Cl)cc1 ZINC000066003572 1083945393 /nfs/dbraw/zinc/94/53/93/1083945393.db2.gz PEMVTAHTUSHLEM-UHFFFAOYSA-N -1 0 367.854 4.017 20 30 FIEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cc2sc3ccccc3c2s1 ZINC000178471167 1083964921 /nfs/dbraw/zinc/96/49/21/1083964921.db2.gz DIOCMYGIDHETND-NSHDSACASA-N -1 0 365.439 4.055 20 30 FIEDRM Cn1nc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)c2c1CCCC2 ZINC000570284072 1084000490 /nfs/dbraw/zinc/00/04/90/1084000490.db2.gz YTGOFXJSOKGEIU-LBPRGKRZSA-N -1 0 370.865 4.052 20 30 FIEDRM O=C(/C=C\c1cnn(Cc2ccccc2Cl)c1)c1ccc([O-])c(F)c1 ZINC000728438257 1084146188 /nfs/dbraw/zinc/14/61/88/1084146188.db2.gz CXGKKTSOOOXAKK-ALCCZGGFSA-N -1 0 356.784 4.326 20 30 FIEDRM O=C(/C=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc([O-])c(F)c1 ZINC000728438961 1084166412 /nfs/dbraw/zinc/16/64/12/1084166412.db2.gz RNKQPAPTVWLCPZ-YVMONPNESA-N -1 0 370.380 4.326 20 30 FIEDRM Cc1nn(Cc2ccccc2)c(C)c1/C=C\C(=O)c1ccc([O-])c(F)c1 ZINC000728438603 1084172155 /nfs/dbraw/zinc/17/21/55/1084172155.db2.gz IKIJFFLZAHDLLF-LUAWRHEFSA-N -1 0 350.393 4.289 20 30 FIEDRM CCn1nc(C)c(C([O-])=C(C#N)c2nc(-c3ccc(C)cc3)cs2)c1C ZINC000589019429 1084235674 /nfs/dbraw/zinc/23/56/74/1084235674.db2.gz RZGGHRIZHJHOCI-INIZCTEOSA-N -1 0 364.474 4.442 20 30 FIEDRM N#Cc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1Cl ZINC000540900169 1084534718 /nfs/dbraw/zinc/53/47/18/1084534718.db2.gz FNZTUEYZVKSUSQ-UHFFFAOYSA-N -1 0 361.637 4.319 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cccc4c[nH]nc43)n2)cc1 ZINC000066544376 1084639169 /nfs/dbraw/zinc/63/91/69/1084639169.db2.gz RMROZXUYYRXOAI-INIZCTEOSA-N -1 0 374.425 4.185 20 30 FIEDRM N#CC(=C([O-])c1cc(-c2ccoc2)[nH]n1)c1nc(-c2ccccc2)cs1 ZINC000613392086 1084683036 /nfs/dbraw/zinc/68/30/36/1084683036.db2.gz IGIRFIYTQYWWKZ-AWEZNQCLSA-N -1 0 360.398 4.283 20 30 FIEDRM COc1c(Br)c(C)sc1C([O-])=C(C#N)c1nc(C)cs1 ZINC000173897846 1084707933 /nfs/dbraw/zinc/70/79/33/1084707933.db2.gz JNOLLYAEUPIQNZ-MRVPVSSYSA-N -1 0 371.281 4.083 20 30 FIEDRM CCCc1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)s1 ZINC000174000502 1084712600 /nfs/dbraw/zinc/71/26/00/1084712600.db2.gz LLXNNJAKSDXFGE-JTQLQIEISA-N -1 0 360.389 4.330 20 30 FIEDRM Cc1ccc(Br)cc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000174015286 1084721584 /nfs/dbraw/zinc/72/15/84/1084721584.db2.gz OSTRXTAYBOFJEO-ZDUSSCGKSA-N -1 0 355.191 4.389 20 30 FIEDRM N#CC(=C([O-])c1cccc(-c2noc(C3CC3)n2)c1)c1nc2ccccc2o1 ZINC000174015005 1084721709 /nfs/dbraw/zinc/72/17/09/1084721709.db2.gz QUBRWIWYFZOVFA-OAHLLOKOSA-N -1 0 370.368 4.245 20 30 FIEDRM O=C1CCc2cc(N=Cc3cc(Cl)cc(Cl)c3[O-])c(F)cc2N1 ZINC000588523150 1085053594 /nfs/dbraw/zinc/05/35/94/1085053594.db2.gz IHDPEHAACHXMLW-UHFFFAOYSA-N -1 0 353.180 4.473 20 30 FIEDRM C=C[C@H](CC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C)c1ccccc1 ZINC000431446663 1085120494 /nfs/dbraw/zinc/12/04/94/1085120494.db2.gz CQDFHWUIPJGUPD-OAHLLOKOSA-N -1 0 353.418 4.470 20 30 FIEDRM Cc1cc(C(C#N)=C([O-])c2cnc(-c3ccccc3Cl)s2)nc(C)n1 ZINC000051898175 1085700917 /nfs/dbraw/zinc/70/09/17/1085700917.db2.gz SLYLIXGGDGCINP-ZDUSSCGKSA-N -1 0 368.849 4.360 20 30 FIEDRM CCc1c(C([O-])=C(C#N)c2nc3ccccc3s2)cnn1C(C)(C)C ZINC000048824724 1085706692 /nfs/dbraw/zinc/70/66/92/1085706692.db2.gz RKOHIVPUCQBROL-LBPRGKRZSA-N -1 0 352.463 4.300 20 30 FIEDRM N#CC(=C([O-])c1csc([C@@H]2CCCO2)n1)c1nc2ccccc2s1 ZINC000535976326 1086481161 /nfs/dbraw/zinc/48/11/61/1086481161.db2.gz YUVJGYULNWGZMV-GWCFXTLKSA-N -1 0 355.444 4.094 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])C=Cc3cccnc3)n2)cc1 ZINC000255570851 1086795698 /nfs/dbraw/zinc/79/56/98/1086795698.db2.gz ANPLKBGGKBPAPK-ASRSSLEJSA-N -1 0 361.426 4.103 20 30 FIEDRM CS(=O)(=O)[N-]C(=O)c1oc2ccccc2c1CSc1cccs1 ZINC000065643489 1087040162 /nfs/dbraw/zinc/04/01/62/1087040162.db2.gz JETIEFAEFQKXCN-UHFFFAOYSA-N -1 0 367.473 4.051 20 30 FIEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000070270504 1087412005 /nfs/dbraw/zinc/41/20/05/1087412005.db2.gz LAXNMRMYPUMLNP-UHFFFAOYSA-N -1 0 367.666 4.381 20 30 FIEDRM O=C1CSc2ccc(N=Cc3cc(Cl)cc(Cl)c3[O-])cc2N1 ZINC000255616081 1087652118 /nfs/dbraw/zinc/65/21/18/1087652118.db2.gz UAFXQIOXLVEEPC-UHFFFAOYSA-N -1 0 353.230 4.494 20 30 FIEDRM Cn1c2ccccc2nc1-c1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000188107810 1087698807 /nfs/dbraw/zinc/69/88/07/1087698807.db2.gz KNWIDAVBSHKYGJ-UHFFFAOYSA-N -1 0 368.396 4.070 20 30 FIEDRM O=[N+]([O-])c1ccc([O-])c(C=Nc2cccc(COCc3ccco3)c2)c1 ZINC000255917280 1087947493 /nfs/dbraw/zinc/94/74/93/1087947493.db2.gz WUPWMXLUMZAFNR-UHFFFAOYSA-N -1 0 352.346 4.361 20 30 FIEDRM N#CC(=C([O-])c1cc(C#N)cs1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000176471505 1087974572 /nfs/dbraw/zinc/97/45/72/1087974572.db2.gz MHHQWUWKIQVBBN-CQSZACIVSA-N -1 0 360.423 4.105 20 30 FIEDRM CCn1c2ccc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)cc2[nH]c1=O ZINC000659115495 1088124681 /nfs/dbraw/zinc/12/46/81/1088124681.db2.gz ZIAPKZVHCFKCTE-GFCCVEGCSA-N -1 0 368.462 4.006 20 30 FIEDRM N#CC(=C([O-])c1cnc(-c2ccccn2)s1)c1ccc(C(F)(F)F)cn1 ZINC000136156633 1089087649 /nfs/dbraw/zinc/08/76/49/1089087649.db2.gz ICZBBNDUDBMGDY-LLVKDONJSA-N -1 0 374.347 4.109 20 30 FIEDRM CC(=Cc1ccc(-c2cccs2)cc1F)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435336320 1089542704 /nfs/dbraw/zinc/54/27/04/1089542704.db2.gz OFFWMQCOOSJGFT-DHZHZOJOSA-N -1 0 351.406 4.378 20 30 FIEDRM CC(=Cc1cccc(OCC2CCCCC2)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435340864 1089548076 /nfs/dbraw/zinc/54/80/76/1089548076.db2.gz OECHANBCCRMHJU-RVDMUPIBSA-N -1 0 363.461 4.470 20 30 FIEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435479034 1089695450 /nfs/dbraw/zinc/69/54/50/1089695450.db2.gz XCTUWXKFLFETDB-UHFFFAOYSA-N -1 0 359.209 4.113 20 30 FIEDRM CCn1cc(C([O-])=C(C#N)c2nc3ccccc3s2)c(C(F)(F)F)n1 ZINC000435769160 1089926087 /nfs/dbraw/zinc/92/60/87/1089926087.db2.gz INHOTAZSPJCAOV-SECBINFHSA-N -1 0 364.352 4.022 20 30 FIEDRM CCn1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c(C(F)(F)F)n1 ZINC000435774255 1089929272 /nfs/dbraw/zinc/92/92/72/1089929272.db2.gz PJUGXUXGZPDOJW-SECBINFHSA-N -1 0 370.400 4.166 20 30 FIEDRM Cc1nc2c(cnn2C(C)C)cc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000182147225 1090056302 /nfs/dbraw/zinc/05/63/02/1090056302.db2.gz UNKOKEONYKTQFD-HNNXBMFYSA-N -1 0 367.478 4.391 20 30 FIEDRM CC(=O)Nc1ccc(CC/N=C/c2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000728786378 1091074880 /nfs/dbraw/zinc/07/48/80/1091074880.db2.gz ZZERQTKNJPDNHU-KEBDBYFISA-N -1 0 351.233 4.319 20 30 FIEDRM COc1cc(C)c(S(=O)(=O)Nc2cc(C#N)ccc2C)cc1C(C)C ZINC000432775235 1092315420 /nfs/dbraw/zinc/31/54/20/1092315420.db2.gz HHVGYBZRUHZPHM-UHFFFAOYSA-N -1 0 358.463 4.108 20 30 FIEDRM N#CCCCCS(=O)(=O)[N-][C@@H](c1cccc2ccccc21)C(F)(F)F ZINC000512440521 1092349696 /nfs/dbraw/zinc/34/96/96/1092349696.db2.gz GFQQLGCZJDHMDT-INIZCTEOSA-N -1 0 370.396 4.056 20 30 FIEDRM COCc1nc(C([O-])=C(C#N)c2nc(C)cs2)c(-c2ccccc2)s1 ZINC000442029300 1092392437 /nfs/dbraw/zinc/39/24/37/1092392437.db2.gz LNWLFGIBNKSDHQ-ZDUSSCGKSA-N -1 0 369.471 4.212 20 30 FIEDRM CCOc1ccc(CC(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)cc1 ZINC000121035921 1092732288 /nfs/dbraw/zinc/73/22/88/1092732288.db2.gz VYFFUEZVOXGYEX-SFHVURJKSA-N -1 0 360.413 4.009 20 30 FIEDRM C[C@H](Sc1n[n-]c(=NCc2ccc(F)cc2)s1)c1cccc(C#N)c1 ZINC000442908596 1092858625 /nfs/dbraw/zinc/85/86/25/1092858625.db2.gz NTSYQNFNQVDNSR-LBPRGKRZSA-N -1 0 370.478 4.436 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1[O-] ZINC000442959686 1092888232 /nfs/dbraw/zinc/88/82/32/1092888232.db2.gz ALWKPDLPTDURCW-UHFFFAOYSA-N -1 0 355.806 4.293 20 30 FIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cn4ccnc4s3)n2)cc1 ZINC000443525903 1093238973 /nfs/dbraw/zinc/23/89/73/1093238973.db2.gz FVTBULNBCHLJHU-ZDUSSCGKSA-N -1 0 364.455 4.318 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3c(C)nsc3C)n2)cc1 ZINC000429681141 1093300844 /nfs/dbraw/zinc/30/08/44/1093300844.db2.gz BFJBZTMSQBSVQF-AWEZNQCLSA-N -1 0 369.471 4.382 20 30 FIEDRM C=C(C)COc1cccc(NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)c1 ZINC000067178336 1093336218 /nfs/dbraw/zinc/33/62/18/1093336218.db2.gz DLLWTCBMMCHWGQ-UHFFFAOYSA-N -1 0 367.430 4.205 20 30 FIEDRM N#CC(=C([O-])c1ccc(C(F)(F)F)cn1)c1nc(-c2ccncc2)cs1 ZINC000512943078 1093583545 /nfs/dbraw/zinc/58/35/45/1093583545.db2.gz KDSYGPJUCOZIPA-LBPRGKRZSA-N -1 0 374.347 4.109 20 30 FIEDRM N#Cc1cc(O)cc(C(=O)NCCSCc2cccc3ccccc32)c1 ZINC000614365573 1093766785 /nfs/dbraw/zinc/76/67/85/1093766785.db2.gz YTJMUSHREQQBQG-UHFFFAOYSA-N -1 0 362.454 4.080 20 30 FIEDRM CC(C)[C@H](C#N)c1ccc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)cc1 ZINC001167937280 1093949151 /nfs/dbraw/zinc/94/91/51/1093949151.db2.gz BHZJAERRRQBITP-IBGZPJMESA-N -1 0 370.389 4.034 20 30 FIEDRM CC(C)c1noc2ncc(C([O-])=C(C#N)c3nc4ccccc4s3)cc21 ZINC000513654275 1094255197 /nfs/dbraw/zinc/25/51/97/1094255197.db2.gz KNWCMQKTDCUWIA-CYBMUJFWSA-N -1 0 362.414 4.446 20 30 FIEDRM N#CC(=C([O-])c1ccn(-c2ccccc2F)n1)c1nc2ccccc2s1 ZINC000513659657 1094270641 /nfs/dbraw/zinc/27/06/41/1094270641.db2.gz GGKQHXUQTVEPRI-GFCCVEGCSA-N -1 0 362.389 4.111 20 30 FIEDRM CS(=O)(=O)Nc1ccccc1NC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000329038468 1094721272 /nfs/dbraw/zinc/72/12/72/1094721272.db2.gz ZNERUJQCMQQYMB-QLFBSQMISA-N -1 0 350.484 4.253 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cc(F)c(Br)c(Cl)c2)n1 ZINC000513745725 1095463143 /nfs/dbraw/zinc/46/31/43/1095463143.db2.gz FRCWBAZGCGIHET-QMMMGPOBSA-N -1 0 373.634 4.497 20 30 FIEDRM COc1cc(C)c(Br)cc1C([O-])=C(C#N)c1nc(C)cs1 ZINC000513746087 1095506903 /nfs/dbraw/zinc/50/69/03/1095506903.db2.gz NTNXZPFRESVMDA-NSHDSACASA-N -1 0 365.252 4.021 20 30 FIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cnn(C)c3C(F)F)n2)cc1 ZINC000067619410 1099426867 /nfs/dbraw/zinc/42/68/67/1099426867.db2.gz QAVFAFRYEDRDDH-GFCCVEGCSA-N -1 0 372.400 4.280 20 30 FIEDRM CCc1noc(C)c1C([O-])=C(C#N)c1nc(-c2ccc(OC)cc2)cs1 ZINC000516714156 1099751106 /nfs/dbraw/zinc/75/11/06/1099751106.db2.gz RFQGWMGJDNGGHT-AWEZNQCLSA-N -1 0 367.430 4.168 20 30 FIEDRM Cc1cc(-c2ccccc2)ccc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000516851028 1099860284 /nfs/dbraw/zinc/86/02/84/1099860284.db2.gz BSCCJYCFCXJHEU-UHFFFAOYSA-N -1 0 354.456 4.396 20 30 FIEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc(-c2ccccc2)ns1 ZINC000437552496 1099982525 /nfs/dbraw/zinc/98/25/25/1099982525.db2.gz ANPRQQIBSPKOMJ-AWEZNQCLSA-N -1 0 358.426 4.187 20 30 FIEDRM C=CCN(CCc1ccccc1)C(=O)c1cccc(Br)c1[O-] ZINC000518544223 1101286746 /nfs/dbraw/zinc/28/67/46/1101286746.db2.gz AVOMNEDZOUUVJE-UHFFFAOYSA-N -1 0 360.251 4.026 20 30 FIEDRM C[C@H](Oc1cccc(C(=O)/C=C/c2cccc(OC(F)F)c2)c1)C(=O)[O-] ZINC000140208441 1101366010 /nfs/dbraw/zinc/36/60/10/1101366010.db2.gz USDNZRGEQSGNKV-BCPZQOPPSA-N -1 0 362.328 4.036 20 30 FIEDRM Cc1cc(/C=C(/C(=O)C(=O)[O-])c2ccc3ccccc3n2)cc2cccnc12 ZINC000783697207 1101383253 /nfs/dbraw/zinc/38/32/53/1101383253.db2.gz PNXONAWJIAIDOV-QGOAFFKASA-N -1 0 368.392 4.286 20 30 FIEDRM COc1ccccc1N1CCC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)CC1 ZINC000760219882 1101813527 /nfs/dbraw/zinc/81/35/27/1101813527.db2.gz RXKDFKKQKKWLQP-UHFFFAOYSA-N -1 0 373.840 4.115 20 30 FIEDRM Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cs1 ZINC000475827090 1102023943 /nfs/dbraw/zinc/02/39/43/1102023943.db2.gz ITNNRPKHCPCPMA-UHFFFAOYSA-N -1 0 369.471 4.099 20 30 FIEDRM CC(C)(C(=O)[N-]S(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000054422943 1102037126 /nfs/dbraw/zinc/03/71/26/1102037126.db2.gz YEYLFBWKANHQKB-UHFFFAOYSA-N -1 0 355.818 4.102 20 30 FIEDRM COCc1ccc(C([O-])=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)o1 ZINC000121864462 1102463707 /nfs/dbraw/zinc/46/37/07/1102463707.db2.gz MKNLIUIINTVVPK-HNNXBMFYSA-N -1 0 368.414 4.048 20 30 FIEDRM C[C@@H](CCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O)OCc1ccccc1 ZINC000473676446 1102501364 /nfs/dbraw/zinc/50/13/64/1102501364.db2.gz OSYYOZJPCGKCCI-INIZCTEOSA-N -1 0 355.482 4.338 20 30 FIEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1occc1COc1ccccc1 ZINC000122171478 1102538104 /nfs/dbraw/zinc/53/81/04/1102538104.db2.gz CUVIFBHOYPIVQY-KRWDZBQOSA-N -1 0 371.396 4.235 20 30 FIEDRM CCOc1cccnc1C([O-])=C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000537665027 1102777348 /nfs/dbraw/zinc/77/73/48/1102777348.db2.gz HVBIBHMGLFMQDN-HNNXBMFYSA-N -1 0 363.442 4.402 20 30 FIEDRM Cc1ccccc1-c1cccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)c1 ZINC000729635880 1102806902 /nfs/dbraw/zinc/80/69/02/1102806902.db2.gz QUBSYBFYECSIBZ-UHFFFAOYSA-N -1 0 362.380 4.443 20 30 FIEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000520826349 1102972654 /nfs/dbraw/zinc/97/26/54/1102972654.db2.gz OPXWNKWODMFOJF-ZDUSSCGKSA-N -1 0 363.442 4.032 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)cc1Cl ZINC000532844184 1103267805 /nfs/dbraw/zinc/26/78/05/1103267805.db2.gz CQOVKPUPKPJHNS-UHFFFAOYSA-N -1 0 369.833 4.074 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1Cl ZINC000120853520 1103445694 /nfs/dbraw/zinc/44/56/94/1103445694.db2.gz VOVRBMWMMBWNPZ-UHFFFAOYSA-N -1 0 360.744 4.031 20 30 FIEDRM CCc1nc(C)c(C([O-])=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)o1 ZINC000551802008 1103650783 /nfs/dbraw/zinc/65/07/83/1103650783.db2.gz MGMJNWFOXWDIOR-CQSZACIVSA-N -1 0 367.430 4.168 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2ncc(-c3ccc(Cl)cc3)s2)cc1[O-] ZINC000461105932 1104104080 /nfs/dbraw/zinc/10/40/80/1104104080.db2.gz DOHJNTGLHIOMQB-UHFFFAOYSA-N -1 0 355.806 4.293 20 30 FIEDRM CSc1ccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)o1 ZINC000112484696 1104363469 /nfs/dbraw/zinc/36/34/69/1104363469.db2.gz MSHLHIABZZPBNF-ZDUSSCGKSA-N -1 0 365.439 4.487 20 30 FIEDRM CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)c2c([O-])cc(Cl)cc2Cl)C1 ZINC000331241773 1104711771 /nfs/dbraw/zinc/71/17/71/1104711771.db2.gz QJOSOQHCSKIOMO-PWSUYJOCSA-N -1 0 373.280 4.087 20 30 FIEDRM CSc1[n-]c(=O)c(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)cc1C#N ZINC000427794076 1105278186 /nfs/dbraw/zinc/27/81/86/1105278186.db2.gz QXDKGCMFAOPXMW-UHFFFAOYSA-N -1 0 372.208 4.079 20 30 FIEDRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c1Cl ZINC000531082397 1107514821 /nfs/dbraw/zinc/51/48/21/1107514821.db2.gz OPQHOHWVALIXNY-UHFFFAOYSA-N -1 0 355.246 4.283 20 30 FIEDRM N#CC(=C([O-])c1ccc(-c2ccccc2OC(F)(F)F)o1)c1ccncn1 ZINC000444455746 1107918279 /nfs/dbraw/zinc/91/82/79/1107918279.db2.gz UKZGILHBZPWWBO-GFCCVEGCSA-N -1 0 373.290 4.125 20 30 FIEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(-c2ccc(F)cc2)s1 ZINC000127304398 1108523003 /nfs/dbraw/zinc/52/30/03/1108523003.db2.gz VDIHYRGYCDVFFR-MRXNPFEDSA-N -1 0 370.449 4.326 20 30 FIEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C/c1ccc(-c2c(F)cccc2F)o1 ZINC000524528409 1109054663 /nfs/dbraw/zinc/05/46/63/1109054663.db2.gz XJMZRTJWZGJDNP-VMPITWQZSA-N -1 0 352.296 4.360 20 30 FIEDRM CCc1ocnc1C([O-])=C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000524808056 1109160565 /nfs/dbraw/zinc/16/05/65/1109160565.db2.gz VHWCVSXJASOSTJ-SECBINFHSA-N -1 0 359.357 4.129 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CC1(c2ccccc2)CC1 ZINC000528911601 1110148394 /nfs/dbraw/zinc/14/83/94/1110148394.db2.gz CIIWQPXZNDUBHQ-SFHVURJKSA-N -1 0 356.425 4.490 20 30 FIEDRM O=C1c2c3cc(F)ccc3[nH]c2CC/C1=C\c1ccc([O-])c([N+](=O)[O-])c1 ZINC000026433474 1110342429 /nfs/dbraw/zinc/34/24/29/1110342429.db2.gz WLCRVFJABFPZEQ-YRNVUSSQSA-N -1 0 352.321 4.133 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc4cc[nH]c4n3)n2)cc1 ZINC000462004490 1111462572 /nfs/dbraw/zinc/46/25/72/1111462572.db2.gz AEJJBYWDJUGAIG-OAHLLOKOSA-N -1 0 374.425 4.185 20 30 FIEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C)cc1Cl ZINC000462100517 1111493105 /nfs/dbraw/zinc/49/31/05/1111493105.db2.gz HJEQJBOURLFWPH-UHFFFAOYSA-N -1 0 363.870 4.143 20 30 FIEDRM C=C(C)[C@H](NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)c1ccc(F)c(F)c1 ZINC000478189119 1111706029 /nfs/dbraw/zinc/70/60/29/1111706029.db2.gz YAROJDLUSJJLEV-FPOVZHCZSA-N -1 0 373.399 4.131 20 30 FIEDRM CC[C@H](C)n1nc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cc1C ZINC000480933890 1112681625 /nfs/dbraw/zinc/68/16/25/1112681625.db2.gz BCCMOCZWSFHZDV-GXFFZTMASA-N -1 0 350.344 4.066 20 30 FIEDRM Cc1onc(-c2ccccn2)c1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000483191906 1113463784 /nfs/dbraw/zinc/46/37/84/1113463784.db2.gz FKECGRHKFZJLGT-INIZCTEOSA-N -1 0 354.369 4.083 20 30 FIEDRM Cc1ccccc1-n1cc(C([O-])=C(C#N)c2nccc3ccccc32)cn1 ZINC000483225914 1113464874 /nfs/dbraw/zinc/46/48/74/1113464874.db2.gz FZDPYQCAORFGRR-LJQANCHMSA-N -1 0 352.397 4.219 20 30 FIEDRM N#CC(=C([O-])c1ccc(Cl)cc1[N+](=O)[O-])c1nccc2ccccc21 ZINC000483224674 1113465069 /nfs/dbraw/zinc/46/50/69/1113465069.db2.gz FYYMWOLIHDQUNO-HNNXBMFYSA-N -1 0 351.749 4.286 20 30 FIEDRM Cc1ccc(-c2nc(C([O-])=C(C#N)c3nccc4ccccc43)cs2)n1C ZINC000483207929 1113465461 /nfs/dbraw/zinc/46/54/61/1113465461.db2.gz WCJUZADASNFESS-INIZCTEOSA-N -1 0 372.453 4.495 20 30 FIEDRM COCc1c2ccccc2oc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000483210234 1113466229 /nfs/dbraw/zinc/46/62/29/1113466229.db2.gz LRXHJUXYLDZZER-AWEZNQCLSA-N -1 0 357.369 4.012 20 30 FIEDRM N#CC(=C([O-])c1csc(Nc2ccccn2)n1)c1nccc2ccccc21 ZINC000483235443 1113468306 /nfs/dbraw/zinc/46/83/06/1113468306.db2.gz LYSJHYDPMUHOTD-HNNXBMFYSA-N -1 0 371.425 4.320 20 30 FIEDRM Cc1sc(/C=C\c2cn(CCC#N)nc2-c2ccccc2)nc1C(=O)[O-] ZINC000486173128 1113517873 /nfs/dbraw/zinc/51/78/73/1113517873.db2.gz SYHRAQCARWATHZ-HJWRWDBZSA-N -1 0 364.430 4.097 20 30 FIEDRM COc1ccc(/C=C/c2nc(C(=O)[O-])c(C)s2)cc1OCCCC#N ZINC000486170808 1113520060 /nfs/dbraw/zinc/52/00/60/1113520060.db2.gz MOPYSKJUKXUJFT-SOFGYWHQSA-N -1 0 358.419 4.011 20 30 FIEDRM Cc1cc(-c2nc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)co2)ccn1 ZINC000571018891 1114422868 /nfs/dbraw/zinc/42/28/68/1114422868.db2.gz CUMCZOMIXTVTRT-CYBMUJFWSA-N -1 0 366.446 4.289 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc(C(=O)OC(C)(C)C)cn2)n1 ZINC000592372583 1115219732 /nfs/dbraw/zinc/21/97/32/1115219732.db2.gz AEQRXEMUTAMSLM-CYBMUJFWSA-N -1 0 371.462 4.107 20 30 FIEDRM CC(C)(C)OC1CC(CC/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000760990597 1115251087 /nfs/dbraw/zinc/25/10/87/1115251087.db2.gz QKRVGZMSOCLLHE-VXLYETTFSA-N -1 0 354.834 4.357 20 30 FIEDRM CCSc1ccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cn1 ZINC000592973732 1115272743 /nfs/dbraw/zinc/27/27/43/1115272743.db2.gz JOVQMZZHOCFOAY-LBPRGKRZSA-N -1 0 357.435 4.432 20 30 FIEDRM Cc1cc2c[nH]nc2c(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)c1 ZINC000592974572 1115272879 /nfs/dbraw/zinc/27/28/79/1115272879.db2.gz UIJRGNSVMDFOEL-ZDUSSCGKSA-N -1 0 350.378 4.110 20 30 FIEDRM CC(C)n1ncc2c1nc(/C=C\c1ccc(C3(C#N)CC3)cc1)cc2C(=O)[O-] ZINC000594696242 1115480028 /nfs/dbraw/zinc/48/00/28/1115480028.db2.gz MSXVJSJETRTUJS-YVMONPNESA-N -1 0 372.428 4.436 20 30 FIEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)Cc1c(Cl)cccc1Cl ZINC000046927955 1115549414 /nfs/dbraw/zinc/54/94/14/1115549414.db2.gz FZATUPFFCFTRQT-UHFFFAOYSA-N -1 0 358.246 4.190 20 30 FIEDRM O=C([O-])COc1cccc(C(=O)/C=C/c2c(Cl)oc3ccccc23)c1 ZINC000761199163 1115615169 /nfs/dbraw/zinc/61/51/69/1115615169.db2.gz DFZHHMUYJUGXTF-CMDGGOBGSA-N -1 0 356.761 4.446 20 30 FIEDRM COc1cc(/C=C2/CCc3ccc(Cl)cc3C2=O)ccc1OCC(=O)[O-] ZINC000761206647 1115621977 /nfs/dbraw/zinc/62/19/77/1115621977.db2.gz QIQKSODMJIFDGI-ZSOIEALJSA-N -1 0 372.804 4.025 20 30 FIEDRM O=C([O-])CCOc1ccc(/C=C2/CCc3ccc(Cl)cc3C2=O)cc1 ZINC000761204542 1115623776 /nfs/dbraw/zinc/62/37/76/1115623776.db2.gz DKDNAPFCXZKJNT-PTNGSMBKSA-N -1 0 356.805 4.406 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C2(c3ccc(Cl)cc3)CC2)cc1C ZINC000060498283 1115651359 /nfs/dbraw/zinc/65/13/59/1115651359.db2.gz GUPJVKXYHRNLOU-UHFFFAOYSA-N -1 0 363.866 4.334 20 30 FIEDRM CSc1[n-]c(=O)c(C(=O)NC(C)(C)c2ccc(C(C)C)cc2)cc1C#N ZINC000597870937 1115689546 /nfs/dbraw/zinc/68/95/46/1115689546.db2.gz AZZOUNUYMFZHQR-UHFFFAOYSA-N -1 0 369.490 4.169 20 30 FIEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1csc(C(C)C)n1 ZINC000171145656 1115843291 /nfs/dbraw/zinc/84/32/91/1115843291.db2.gz PYBLAJCYWKZHHM-ZDUSSCGKSA-N -1 0 351.431 4.262 20 30 FIEDRM CC(C)c1nc2ccc([N-]S(=O)(=O)c3ccccc3C#N)cc2s1 ZINC000604465495 1115866948 /nfs/dbraw/zinc/86/69/48/1115866948.db2.gz FXFDISQBRRECHD-UHFFFAOYSA-N -1 0 357.460 4.092 20 30 FIEDRM CCO[C@@H](C)c1ncc(C([O-])=C(C#N)c2ccc3ccccc3n2)s1 ZINC000608552804 1116115136 /nfs/dbraw/zinc/11/51/36/1116115136.db2.gz PLYFMAMVBMNJPA-GXTWGEPZSA-N -1 0 351.431 4.279 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2cnc(-c3cccnc3)s2)n1 ZINC000534173740 1116166581 /nfs/dbraw/zinc/16/65/81/1116166581.db2.gz ULZCRLIHTPLNFE-GFCCVEGCSA-N -1 0 354.460 4.275 20 30 FIEDRM CCCn1cc(C([O-])=C(C#N)c2nc(-c3ccc(C)cc3)cs2)cn1 ZINC000541018200 1118355971 /nfs/dbraw/zinc/35/59/71/1118355971.db2.gz DLSCBZSEVXDVOM-MRXNPFEDSA-N -1 0 350.447 4.215 20 30 FIEDRM N#CC(=C([O-])c1cncnc1-c1ccccc1)c1cc(C(F)(F)F)ccn1 ZINC000464410074 1118546722 /nfs/dbraw/zinc/54/67/22/1118546722.db2.gz MHFTXGJSRBQWKC-CQSZACIVSA-N -1 0 368.318 4.047 20 30 FIEDRM CCc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cnn1C(C)(C)C ZINC000464420067 1118558108 /nfs/dbraw/zinc/55/81/08/1118558108.db2.gz XOVJTCPHSZKSSL-LBPRGKRZSA-N -1 0 364.371 4.104 20 30 FIEDRM CCc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cnn1CC(C)C ZINC000464467627 1118572321 /nfs/dbraw/zinc/57/23/21/1118572321.db2.gz LFAAEGJKUTZCHK-ZDUSSCGKSA-N -1 0 364.371 4.005 20 30 FIEDRM CC(C)n1nccc1C([O-])=C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000151955458 1119026494 /nfs/dbraw/zinc/02/64/94/1119026494.db2.gz YPGWPJVSXSGWKJ-NSHDSACASA-N -1 0 372.400 4.356 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2cccc(OCC(F)(F)F)n2)n1 ZINC000177769488 1119350472 /nfs/dbraw/zinc/35/04/72/1119350472.db2.gz CRLWSJNUIYYIII-SNVBAGLBSA-N -1 0 369.368 4.093 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccn(-c3ccc(F)cc3F)n2)n1 ZINC000184353033 1119604473 /nfs/dbraw/zinc/60/44/73/1119604473.db2.gz KDPLQAGZAHTYHJ-GFCCVEGCSA-N -1 0 372.400 4.220 20 30 FIEDRM C=C(C)[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1ccc(F)c(F)c1 ZINC000184846466 1119626377 /nfs/dbraw/zinc/62/63/77/1119626377.db2.gz HIDYPTLXLUPUGK-HNNXBMFYSA-N -1 0 357.278 4.135 20 30 FIEDRM N#CC(=C([O-])c1ccn(C2CCCC2)n1)c1nc(-c2ccncc2)cs1 ZINC000123297562 1119812538 /nfs/dbraw/zinc/81/25/38/1119812538.db2.gz FFJTXHBXFVBLHP-HNNXBMFYSA-N -1 0 363.446 4.007 20 30 FIEDRM Cc1cc(C)n(Cc2cccc(C([O-])=C(C#N)c3nc4ccccc4o3)c2)n1 ZINC000194583416 1120284303 /nfs/dbraw/zinc/28/43/03/1120284303.db2.gz IASBATZZGUEIAL-SFHVURJKSA-N -1 0 370.412 4.180 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)Cc1c[nH]c2ccccc12 ZINC000193600324 1120977933 /nfs/dbraw/zinc/97/79/33/1120977933.db2.gz MAMJEOHFGNXBOE-QGZVFWFLSA-N -1 0 355.397 4.092 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)s1 ZINC000388889738 1121098164 /nfs/dbraw/zinc/09/81/64/1121098164.db2.gz LAMQWWHPNCFHTO-UHFFFAOYSA-N -1 0 366.773 4.093 20 30 FIEDRM CC(N=Nc1ncc(C(F)(F)F)cc1Cl)c1ccc(C(=O)[O-])cc1 ZINC000915940114 1121354889 /nfs/dbraw/zinc/35/48/89/1121354889.db2.gz WOWWMUPKSLRBRZ-UHFFFAOYSA-N -1 0 357.719 4.288 20 30 FIEDRM O=C([O-])CCOc1ccc(/C=C\C(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000915985223 1121365847 /nfs/dbraw/zinc/36/58/47/1121365847.db2.gz KAYKTXRGUPDIKX-GHXNOFRVSA-N -1 0 350.414 4.315 20 30 FIEDRM Cc1nc(C(C)(C)C)sc1C(=O)/C=C\c1ccc(OCCC(=O)[O-])cc1 ZINC000915988000 1121368462 /nfs/dbraw/zinc/36/84/62/1121368462.db2.gz OZVWZJVVJWXMHF-YFHOEESVSA-N -1 0 373.474 4.499 20 30 FIEDRM CCCOc1ccc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)cc1OCC ZINC000915990943 1121369282 /nfs/dbraw/zinc/36/92/82/1121369282.db2.gz STFJYGWPKIPTJW-XFFZJAGNSA-N -1 0 368.429 4.397 20 30 FIEDRM O=C([O-])c1cc(NN=Cc2ccc(F)c(Br)c2)ccc1Cl ZINC000916259545 1121453629 /nfs/dbraw/zinc/45/36/29/1121453629.db2.gz OCCZSDYLSDWGGJ-UHFFFAOYSA-N -1 0 371.593 4.386 20 30 FIEDRM FC(F)(F)c1n[n-]c(=S)n1N=Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000916303425 1121468029 /nfs/dbraw/zinc/46/80/29/1121468029.db2.gz DKSCCTXFQWEUJJ-UHFFFAOYSA-N -1 0 372.759 4.381 20 30 FIEDRM CCC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000916581861 1121555967 /nfs/dbraw/zinc/55/59/67/1121555967.db2.gz ZDGGQSSRFLULGM-UHFFFAOYSA-N -1 0 362.813 4.282 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1oc2ccc(Cl)cc2c1C ZINC000916876011 1121906133 /nfs/dbraw/zinc/90/61/33/1121906133.db2.gz NKVFUIQJOKFTGD-HNNXBMFYSA-N -1 0 360.841 4.414 20 30 FIEDRM CC(C)NC(=O)C(C#N)=C([O-])c1sc2cccc(Cl)c2c1Cl ZINC000916951062 1121972784 /nfs/dbraw/zinc/97/27/84/1121972784.db2.gz DVIHQKXCTNTOLK-MRVPVSSYSA-N -1 0 355.246 4.055 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC(C)C)c(C)n1-c1cccc(C(C)C)c1 ZINC000916952043 1121973787 /nfs/dbraw/zinc/97/37/87/1121973787.db2.gz RLGDJESFDILULX-HXUWFJFHSA-N -1 0 365.477 4.065 20 30 FIEDRM N#CC(C(=O)c1cc2ccccc2o1)=C([O-])c1sccc1Br ZINC000917018894 1122007140 /nfs/dbraw/zinc/00/71/40/1122007140.db2.gz CQPWZRWZTRPLCD-SNVBAGLBSA-N -1 0 374.215 4.462 20 30 FIEDRM N#CC(=C([O-])c1cccc(NC(=O)c2ccco2)c1)c1nc2ccccc2o1 ZINC000054736845 1122195425 /nfs/dbraw/zinc/19/54/25/1122195425.db2.gz SFJRWYALEDBFIN-OAHLLOKOSA-N -1 0 371.352 4.163 20 30 FIEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)CCC1CCCCC1 ZINC000917507449 1122340080 /nfs/dbraw/zinc/34/00/80/1122340080.db2.gz XJYSXTKECDCNCV-MRXNPFEDSA-N -1 0 372.465 4.060 20 30 FIEDRM CCCn1c(C=NNc2ccc(Cl)c(C(=O)[O-])c2)nc2ccccc21 ZINC000917532732 1122351734 /nfs/dbraw/zinc/35/17/34/1122351734.db2.gz QEFHCUVUFNNDAO-UHFFFAOYSA-N -1 0 356.813 4.244 20 30 FIEDRM O=C([O-])c1ccc(-c2ccc(C(=O)/C=C3/COc4ccc(F)cc43)cc2)o1 ZINC000918156424 1122577173 /nfs/dbraw/zinc/57/71/73/1122577173.db2.gz QBWVIKWOFNQDEB-ZROIWOOFSA-N -1 0 364.328 4.443 20 30 FIEDRM CC(C)c1ccc2c(c1)C(=O)/C(=C/c1ccc(OCCC(=O)[O-])cc1)CO2 ZINC000920068217 1123337099 /nfs/dbraw/zinc/33/70/99/1123337099.db2.gz LTKKAKYMFBFQGJ-GZTJUZNOSA-N -1 0 366.413 4.322 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000920101916 1123350181 /nfs/dbraw/zinc/35/01/81/1123350181.db2.gz MZOHHRLNWUVATL-INIZCTEOSA-N -1 0 368.396 4.072 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCOc1cc(C)cc(C)c1 ZINC000920105704 1123352215 /nfs/dbraw/zinc/35/22/15/1123352215.db2.gz LAHSIKSQZYRJCD-IBGZPJMESA-N -1 0 374.440 4.454 20 30 FIEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\CC2(c3cccc(Cl)c3)CCOCC2)c1 ZINC000920174496 1123403558 /nfs/dbraw/zinc/40/35/58/1123403558.db2.gz NPKCOCFYGVULID-MTJSOVHGSA-N -1 0 374.824 4.121 20 30 FIEDRM CCCCCCCCCN(C)C(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC000920742661 1123508847 /nfs/dbraw/zinc/50/88/47/1123508847.db2.gz APSISKOZCUGMFU-UHFFFAOYSA-N -1 0 372.506 4.020 20 30 FIEDRM COc1ccccc1N=c1[n-]nc(S[C@@H](C)c2ccc(C#N)cc2)s1 ZINC000609813624 1123855333 /nfs/dbraw/zinc/85/53/33/1123855333.db2.gz SNVPREKUHAVNEJ-LBPRGKRZSA-N -1 0 368.487 4.437 20 30 FIEDRM CC(C)n1ncc2cc(/C=C/C(=O)c3ccc([O-])c(F)c3)c(Cl)nc21 ZINC000170851810 1123960173 /nfs/dbraw/zinc/96/01/73/1123960173.db2.gz FSJJVJILSPZDJN-SNAWJCMRSA-N -1 0 359.788 4.406 20 30 FIEDRM COc1ccc(/C=C/C(=O)c2ccc([O-])c(F)c2)cc1OCCCC#N ZINC000170851780 1123960248 /nfs/dbraw/zinc/96/02/48/1123960248.db2.gz WRLPFTFXMKSGQZ-QPJJXVBHSA-N -1 0 355.365 4.119 20 30 FIEDRM Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1Br ZINC000080282381 1123961169 /nfs/dbraw/zinc/96/11/69/1123961169.db2.gz WCZWBAXHOLAREC-GFCCVEGCSA-N -1 0 355.191 4.389 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2occc2-c2ccccc2)n1 ZINC000067894570 1123982887 /nfs/dbraw/zinc/98/28/87/1123982887.db2.gz JXKSPAVVKWWZBH-CQSZACIVSA-N -1 0 366.398 4.070 20 30 FIEDRM C[C@H](OCC1CC1)C(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000068335967 1124180288 /nfs/dbraw/zinc/18/02/88/1124180288.db2.gz JYIWEAJOAIORJE-AWEZNQCLSA-N -1 0 365.495 4.195 20 30 FIEDRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1SC[C@H](C)C#N ZINC000108252003 1124271092 /nfs/dbraw/zinc/27/10/92/1124271092.db2.gz JRZJQAZYNAUBAL-GFCCVEGCSA-N -1 0 364.467 4.187 20 30 FIEDRM Cc1ccccc1OCCCC(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000069525813 1124934833 /nfs/dbraw/zinc/93/48/33/1124934833.db2.gz ZXIFDRXECRIZAB-UHFFFAOYSA-N -1 0 373.883 4.214 20 30 FIEDRM CC(C)Cn1cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cn1 ZINC000181521601 1124994047 /nfs/dbraw/zinc/99/40/47/1124994047.db2.gz DEFFHVYXMAGYRW-INIZCTEOSA-N -1 0 350.447 4.153 20 30 FIEDRM O=C([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C1(c2ccccc2)CC1 ZINC000069604672 1125018891 /nfs/dbraw/zinc/01/88/91/1125018891.db2.gz HZXMXDYAMMWJAP-UHFFFAOYSA-N -1 0 369.364 4.082 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)nn1-c1ccccc1 ZINC000069833563 1125172435 /nfs/dbraw/zinc/17/24/35/1125172435.db2.gz LCLOMIZKMDFAED-OAHLLOKOSA-N -1 0 358.426 4.281 20 30 FIEDRM CC(C)C[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000070031251 1125244978 /nfs/dbraw/zinc/24/49/78/1125244978.db2.gz KGYYZDJIHOZYGN-NSHDSACASA-N -1 0 351.390 4.423 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2nc3c(ccc4ccccc34)s2)cc1 ZINC000007505323 204298830 /nfs/dbraw/zinc/29/88/30/204298830.db2.gz OLASTRCAYBGHEF-UHFFFAOYSA-N -1 0 365.439 4.122 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2sc(NC(=O)c3ccco3)cc2C)n1 ZINC000041517421 205090974 /nfs/dbraw/zinc/09/09/74/205090974.db2.gz ZMGISCDDXUIGDT-LLVKDONJSA-N -1 0 371.443 4.157 20 30 FIEDRM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000601975160 567893678 /nfs/dbraw/zinc/89/36/78/567893678.db2.gz HPDFYKWIGBRORC-JTQLQIEISA-N -1 0 372.418 4.412 20 30 FIEDRM CCSc1cccc(F)c1NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C ZINC000291629279 568232222 /nfs/dbraw/zinc/23/22/22/568232222.db2.gz JCZCZBNDHQBRII-UHFFFAOYSA-N -1 0 373.453 4.098 20 30 FIEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000569263081 568317846 /nfs/dbraw/zinc/31/78/46/568317846.db2.gz QHBZKQXRBJJPBM-LJQANCHMSA-N -1 0 374.469 4.053 20 30 FIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cnn4ccccc34)n2)cc1 ZINC000604929713 568397883 /nfs/dbraw/zinc/39/78/83/568397883.db2.gz PJOSONQCNGZVLH-HNNXBMFYSA-N -1 0 358.426 4.256 20 30 FIEDRM CC[C@@H](CN(CC)C(=O)c1cc(C#N)c(SC)[n-]c1=O)c1ccccc1 ZINC000482242176 568517471 /nfs/dbraw/zinc/51/74/71/568517471.db2.gz KCBUGRDXARAHPP-AWEZNQCLSA-N -1 0 369.490 4.037 20 30 FIEDRM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1ccc(C(C)(C)C#N)cc1 ZINC000471135893 1079789524 /nfs/dbraw/zinc/78/95/24/1079789524.db2.gz GMMIOJHTQQAVSO-UHFFFAOYSA-N -1 0 372.421 4.482 20 30 FIEDRM C[C@@H](Sc1ccccc1Cl)C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000048407411 1081236092 /nfs/dbraw/zinc/23/60/92/1081236092.db2.gz JXRAVXRBWRQNKU-LLVKDONJSA-N -1 0 355.868 4.166 20 30 FIEDRM N#Cc1ccccc1OCc1cccc(C(=O)Nc2c(O)cccc2F)c1 ZINC000610339775 1081493647 /nfs/dbraw/zinc/49/36/47/1081493647.db2.gz OFWIDQQGKBRBPU-UHFFFAOYSA-N -1 0 362.360 4.234 20 30 FIEDRM CSc1ccc2c(c1)CC/C(=C\c1ccc(OCC(=O)[O-])cc1)C2=O ZINC000748148688 1081607232 /nfs/dbraw/zinc/60/72/32/1081607232.db2.gz WCQQJKYVGDHDIF-XNTDXEJSSA-N -1 0 354.427 4.084 20 30 FIEDRM Cc1cccc(-c2cnc([N-]S(=O)(=O)c3cc(C#N)ccc3C)s2)c1 ZINC000579519533 1081818178 /nfs/dbraw/zinc/81/81/78/1081818178.db2.gz HNFXQGJORMBMFL-UHFFFAOYSA-N -1 0 369.471 4.099 20 30 FIEDRM O=C([O-])CCOc1cccc(/C=C\C(=O)c2cccc(-c3ccncc3)c2)c1 ZINC000255193851 1081833050 /nfs/dbraw/zinc/83/30/50/1081833050.db2.gz LCXOFKGJMIXTCZ-FPLPWBNLSA-N -1 0 373.408 4.498 20 30 FIEDRM O=C([N-]S(=O)(=O)c1ccccc1Cl)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000050205040 1081921151 /nfs/dbraw/zinc/92/11/51/1081921151.db2.gz PJYHBGOWFJTASH-QWHCGFSZSA-N -1 0 370.257 4.442 20 30 FIEDRM O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000050204982 1081921445 /nfs/dbraw/zinc/92/14/45/1081921445.db2.gz BTSJUAMTVDNQBX-CVEARBPZSA-N -1 0 367.829 4.069 20 30 FIEDRM O=C([N-]S(=O)(=O)c1ccccc1Cl)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000050205041 1081921571 /nfs/dbraw/zinc/92/15/71/1081921571.db2.gz PJYHBGOWFJTASH-STQMWFEESA-N -1 0 370.257 4.442 20 30 FIEDRM N#C[C@@H](C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1)c1ccccn1 ZINC000430526650 1082228631 /nfs/dbraw/zinc/22/86/31/1082228631.db2.gz SQLPQHRDLBKGFK-GFCCVEGCSA-N -1 0 357.200 4.064 20 30 FIEDRM Cc1c2cc(Cl)ccc2oc1C([O-])=C(C#N)C(=O)NC1CCCCC1 ZINC000050679598 1082283181 /nfs/dbraw/zinc/28/31/81/1082283181.db2.gz YVTMQIMEYHIWRI-HNNXBMFYSA-N -1 0 358.825 4.166 20 30 FIEDRM C[C@H](Oc1cccc(/C=C\C(=O)c2cccc(-c3ccncc3)c2)c1)C(=O)[O-] ZINC000255290338 1082469753 /nfs/dbraw/zinc/46/97/53/1082469753.db2.gz COWZZDNRWWKDIJ-QWGSZXSUSA-N -1 0 373.408 4.497 20 30 FIEDRM O=C(CC1CCCCCC1)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000091125658 1082538744 /nfs/dbraw/zinc/53/87/44/1082538744.db2.gz KGPDDHWFJZRANY-UHFFFAOYSA-N -1 0 351.468 4.017 20 30 FIEDRM CC(=O)Nc1cccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1C ZINC000430595342 1082550698 /nfs/dbraw/zinc/55/06/98/1082550698.db2.gz UGJXIMKVDPFZIL-CQSZACIVSA-N -1 0 355.463 4.198 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2c[nH]nc2-c2ccccc2)s1 ZINC000430610560 1082656753 /nfs/dbraw/zinc/65/67/53/1082656753.db2.gz LAJBAJXVTLIQAT-CYBMUJFWSA-N -1 0 350.447 4.321 20 30 FIEDRM CC(=O)c1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c(C)nc1C ZINC000430611441 1082665265 /nfs/dbraw/zinc/66/52/65/1082665265.db2.gz OMYWTYLKRZXSMD-OAHLLOKOSA-N -1 0 355.463 4.145 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccn(-c3ccccc3)n2)s1 ZINC000430624131 1082745321 /nfs/dbraw/zinc/74/53/21/1082745321.db2.gz IEYRXJNWFIJNGH-AWEZNQCLSA-N -1 0 350.447 4.116 20 30 FIEDRM CC(=O)c1cc(C([O-])=C(C#N)c2nc(-c3ccc(C)cc3)cs2)n(C)c1 ZINC000051151369 1082784263 /nfs/dbraw/zinc/78/42/63/1082784263.db2.gz SHGCXRRZOAQKNW-MRXNPFEDSA-N -1 0 363.442 4.150 20 30 FIEDRM COc1ccccc1[C@H](C)CC(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000077881641 1082797553 /nfs/dbraw/zinc/79/75/53/1082797553.db2.gz VINWNMOMSLNHNI-CABCVRRESA-N -1 0 361.463 4.236 20 30 FIEDRM COc1ccc(-c2n[nH]cc2C([O-])=C(C#N)c2nc3ccccc3s2)cc1 ZINC000155682258 1082866661 /nfs/dbraw/zinc/86/66/61/1082866661.db2.gz GVUSLWDQYUUATA-AWEZNQCLSA-N -1 0 374.425 4.185 20 30 FIEDRM Cc1ncsc1C([O-])=C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000121526721 1083001751 /nfs/dbraw/zinc/00/17/51/1083001751.db2.gz XGBKSHQSCMVFPN-VIFPVBQESA-N -1 0 361.398 4.343 20 30 FIEDRM N#Cc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)cc1 ZINC000157990675 1083134168 /nfs/dbraw/zinc/13/41/68/1083134168.db2.gz RBECSCWLHTXUHM-UHFFFAOYSA-N -1 0 360.744 4.031 20 30 FIEDRM N#CCc1ccc(C(=O)Nc2cc(Br)cc(Cl)c2[O-])cc1 ZINC000535654650 1083261119 /nfs/dbraw/zinc/26/11/19/1083261119.db2.gz GBZDUWKGPVPKFZ-UHFFFAOYSA-N -1 0 365.614 4.126 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1occc1Br ZINC000176083431 1083263034 /nfs/dbraw/zinc/26/30/34/1083263034.db2.gz WTCXOWIXYUROTQ-NSHDSACASA-N -1 0 371.190 4.037 20 30 FIEDRM CCN1C(=O)CCc2cc(N=Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])ccc21 ZINC000588451336 1083266071 /nfs/dbraw/zinc/26/60/71/1083266071.db2.gz AAWOZCJPLVVXEA-UHFFFAOYSA-N -1 0 373.796 4.004 20 30 FIEDRM COc1cc(/C=C2\C(=O)c3ccccc3C2(C)C)ccc1OCCC(=O)[O-] ZINC000588460266 1083330371 /nfs/dbraw/zinc/33/03/71/1083330371.db2.gz FVIQNADDEGXBJK-SFQUDFHCSA-N -1 0 366.413 4.106 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)nn1-c1ccc(C)cc1 ZINC000647378941 1083370085 /nfs/dbraw/zinc/37/00/85/1083370085.db2.gz OGZKRZQAQOEFIN-MRXNPFEDSA-N -1 0 362.458 4.313 20 30 FIEDRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2SC[C@@H](C)C#N)s1 ZINC000431170257 1083370355 /nfs/dbraw/zinc/37/03/55/1083370355.db2.gz VLRNMBDHSBMVKC-NSHDSACASA-N -1 0 366.533 4.418 20 30 FIEDRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2SCCC#N)s1 ZINC000431166922 1083372858 /nfs/dbraw/zinc/37/28/58/1083372858.db2.gz KEIHMVYOXWFZAY-UHFFFAOYSA-N -1 0 352.506 4.172 20 30 FIEDRM COC(C)(C)c1nc(C)c(C([O-])=C(C#N)c2nc(C3CC3)cs2)s1 ZINC000647379672 1083376794 /nfs/dbraw/zinc/37/67/94/1083376794.db2.gz COQKJGMKUUPRTO-LLVKDONJSA-N -1 0 361.492 4.157 20 30 FIEDRM Cc1nn(-c2ccccc2)cc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000102595160 1083439456 /nfs/dbraw/zinc/43/94/56/1083439456.db2.gz ZYNKIGQQQKDCIV-HNNXBMFYSA-N -1 0 370.334 4.085 20 30 FIEDRM N#Cc1ccc([O-])c(NC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)c1 ZINC000179740084 1083612713 /nfs/dbraw/zinc/61/27/13/1083612713.db2.gz MRRHMHQAGJQWQA-UHFFFAOYSA-N -1 0 371.396 4.018 20 30 FIEDRM N#CC(=C([O-])c1c[nH]c(C#N)c1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000181422559 1083900797 /nfs/dbraw/zinc/90/07/97/1083900797.db2.gz YMMPRGPSZODNHN-CQSZACIVSA-N -1 0 352.806 4.153 20 30 FIEDRM Cn1cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)c(C2CC2)n1 ZINC000685783853 1083910723 /nfs/dbraw/zinc/91/07/23/1083910723.db2.gz DQRWKLUDWRSFDM-NSHDSACASA-N -1 0 356.838 4.051 20 30 FIEDRM N#CC(=C([O-])c1cncnc1-c1ccccc1)c1nc2cc(F)ccc2s1 ZINC000685788237 1083942990 /nfs/dbraw/zinc/94/29/90/1083942990.db2.gz YFPCUTHUFZLMNR-CQSZACIVSA-N -1 0 374.400 4.382 20 30 FIEDRM CC[C@H](c1n[n-]c(=NCc2ccc(C#N)cc2F)s1)c1ccccc1 ZINC000538591949 1084141061 /nfs/dbraw/zinc/14/10/61/1084141061.db2.gz MBZDPZWOTZJCKL-INIZCTEOSA-N -1 0 352.438 4.125 20 30 FIEDRM COc1ccc(Br)cc1/C=C/C(=O)c1ccc([O-])c(F)c1 ZINC000728438137 1084143736 /nfs/dbraw/zinc/14/37/36/1084143736.db2.gz AZAXAWWSFZKIJK-HWKANZROSA-N -1 0 351.171 4.199 20 30 FIEDRM O=C(/C=C\c1ccccc1I)c1ccc([O-])c(F)c1 ZINC000728439243 1084162260 /nfs/dbraw/zinc/16/22/60/1084162260.db2.gz ZEPPCVWHYLMYJB-ALCCZGGFSA-N -1 0 368.145 4.032 20 30 FIEDRM COC(=O)c1ccc(-c2ccc(/C=C/C(=O)c3ccc([O-])c(F)c3)o2)cc1 ZINC000728439199 1084162435 /nfs/dbraw/zinc/16/24/35/1084162435.db2.gz XEOVAKHTNIEFEG-JXMROGBWSA-N -1 0 366.344 4.474 20 30 FIEDRM C=CC(C)(C)CNC(=O)C[C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000414100106 1084550544 /nfs/dbraw/zinc/55/05/44/1084550544.db2.gz VGLTWWBOIZRIDF-KRWDZBQOSA-N -1 0 358.265 4.054 20 30 FIEDRM O=C(Cn1ccc2ccc(Cl)cc21)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000066504059 1084566930 /nfs/dbraw/zinc/56/69/30/1084566930.db2.gz CBNCVYGJJWOQRZ-LUAWRHEFSA-N -1 0 374.849 4.252 20 30 FIEDRM CC(C)(CCC(=O)[O-])NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000263468552 1084567145 /nfs/dbraw/zinc/56/71/45/1084567145.db2.gz GZIFSGZGZNHYPT-UHFFFAOYSA-N -1 0 367.405 4.115 20 30 FIEDRM CCc1cc(C([O-])=C(C#N)c2nc3cc(C(F)(F)F)ccc3s2)n[nH]1 ZINC000613404394 1084700740 /nfs/dbraw/zinc/70/07/40/1084700740.db2.gz LKGYSVSHYQDZJV-SNVBAGLBSA-N -1 0 364.352 4.091 20 30 FIEDRM COc1cc(/C=C\C(=O)c2ccc3ccccc3c2[O-])ccc1OCC#N ZINC000255493641 1084716336 /nfs/dbraw/zinc/71/63/36/1084716336.db2.gz KCOPIEABPKXTGI-POHAHGRESA-N -1 0 359.381 4.352 20 30 FIEDRM Cc1c2ccc3ccccc3c2oc1C([O-])=C(C#N)C(=O)NC1CCCC1 ZINC000051651238 1084959547 /nfs/dbraw/zinc/95/95/47/1084959547.db2.gz QCBOUCYAANADMA-GOSISDBHSA-N -1 0 360.413 4.276 20 30 FIEDRM N#CC(=C([O-])c1occc1Br)c1nc(-c2ccncc2)cs1 ZINC000176114101 1085080176 /nfs/dbraw/zinc/08/01/76/1085080176.db2.gz VRNYBZAKZPXPHE-JTQLQIEISA-N -1 0 374.219 4.051 20 30 FIEDRM CCOCc1nc(C)c(C([O-])=C(C#N)c2ccc3ccccc3n2)s1 ZINC000651584800 1085186278 /nfs/dbraw/zinc/18/62/78/1085186278.db2.gz AZNIMDICXFFYSU-CQSZACIVSA-N -1 0 351.431 4.026 20 30 FIEDRM C=C[C@@H](CC(=O)N=c1nc(-c2sccc2C)[n-]s1)c1ccccc1 ZINC000472258948 1085717649 /nfs/dbraw/zinc/71/76/49/1085717649.db2.gz PBJODFUHCMCAKD-ZDUSSCGKSA-N -1 0 355.488 4.295 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)c(Cl)c1 ZINC000511226068 1086029692 /nfs/dbraw/zinc/02/96/92/1086029692.db2.gz WWMNKJOQPOWVGD-UHFFFAOYSA-N -1 0 364.854 4.108 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1sc(-c2ccc(C)o2)nc1C ZINC000125740896 1086355099 /nfs/dbraw/zinc/35/50/99/1086355099.db2.gz NKODNSHIBIVZSR-CQSZACIVSA-N -1 0 373.478 4.039 20 30 FIEDRM N#CC(=C([O-])c1csc([C@H]2CCCO2)n1)c1nc2ccccc2s1 ZINC000535976327 1086481445 /nfs/dbraw/zinc/48/14/45/1086481445.db2.gz YUVJGYULNWGZMV-GXFFZTMASA-N -1 0 355.444 4.094 20 30 FIEDRM N#CC(=C([O-])c1csc(CCc2ccccc2)n1)c1nc2ccccc2[nH]1 ZINC000107408015 1086798911 /nfs/dbraw/zinc/79/89/11/1086798911.db2.gz OIYNOYMVCKUFNC-OAHLLOKOSA-N -1 0 372.453 4.295 20 30 FIEDRM CC(C)(C)c1[n-]n(Cc2cccc(Br)c2)c(=O)c1CCC#N ZINC000151842690 1087279705 /nfs/dbraw/zinc/27/97/05/1087279705.db2.gz GEZCKRISWZBQPR-UHFFFAOYSA-N -1 0 362.271 4.153 20 30 FIEDRM COCc1c2ccccc2oc1C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000647374344 1087791668 /nfs/dbraw/zinc/79/16/68/1087791668.db2.gz ACOVUHKVFBLPID-CYBMUJFWSA-N -1 0 352.415 4.403 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cn2)c(Cl)c1 ZINC000186582830 1087936488 /nfs/dbraw/zinc/93/64/88/1087936488.db2.gz WSRPBKHIXABPRM-UHFFFAOYSA-N -1 0 369.833 4.074 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ncccc2OCC(F)(F)F)n1 ZINC000176605060 1088021795 /nfs/dbraw/zinc/02/17/95/1088021795.db2.gz JJPGDGLENJBSDD-SNVBAGLBSA-N -1 0 369.368 4.093 20 30 FIEDRM Cc1noc(-c2ccccc2C([O-])=C(C#N)c2nc3ccccc3s2)n1 ZINC000505312040 1088345819 /nfs/dbraw/zinc/34/58/19/1088345819.db2.gz ODBJDPKQKHBFPK-CQSZACIVSA-N -1 0 360.398 4.145 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2-c2nc(C(C)C)no2)n1 ZINC000505345439 1088358147 /nfs/dbraw/zinc/35/81/47/1088358147.db2.gz UGPMCKSBDIGAGT-CQSZACIVSA-N -1 0 352.419 4.115 20 30 FIEDRM Cc1cc(Br)c(NC(=O)c2ccc(C#N)c([O-])c2)cc1Cl ZINC000189213990 1088451782 /nfs/dbraw/zinc/45/17/82/1088451782.db2.gz MQZMLQIICNPOAV-UHFFFAOYSA-N -1 0 365.614 4.241 20 30 FIEDRM CCSc1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cn1 ZINC000590208101 1088915526 /nfs/dbraw/zinc/91/55/26/1088915526.db2.gz NLRKYMONWZNVHA-GFCCVEGCSA-N -1 0 351.353 4.097 20 30 FIEDRM CCSc1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cn1 ZINC000590208105 1088915841 /nfs/dbraw/zinc/91/58/41/1088915841.db2.gz NLRKYMONWZNVHA-LBPRGKRZSA-N -1 0 351.353 4.097 20 30 FIEDRM CCCCOc1ccc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cc1OCC ZINC000505479720 1088954392 /nfs/dbraw/zinc/95/43/92/1088954392.db2.gz KCGRYLQWUAMAPK-TWGQIWQCSA-N -1 0 366.417 4.399 20 30 FIEDRM N#C[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)c1cccc(Cl)c1Cl ZINC000183590815 1089022494 /nfs/dbraw/zinc/02/24/94/1089022494.db2.gz VONWMMPGDLFKAQ-GFCCVEGCSA-N -1 0 355.608 4.347 20 30 FIEDRM C[C@@H](Oc1cccc(/C=C/C(=O)c2ccccc2OC(F)F)c1)C(=O)[O-] ZINC000728695024 1089235764 /nfs/dbraw/zinc/23/57/64/1089235764.db2.gz QAJMECCRJFWNFB-BZYZDCJZSA-N -1 0 362.328 4.036 20 30 FIEDRM Cc1onc(-c2ccc(Cl)cc2Cl)c1C([O-])=C(C#N)c1ccncn1 ZINC000435767768 1089926479 /nfs/dbraw/zinc/92/64/79/1089926479.db2.gz KPVGECLGHJBRDE-GFCCVEGCSA-N -1 0 373.199 4.237 20 30 FIEDRM CCOc1ccc([N+](=O)[O-])c(C([O-])=C(C#N)c2nc3ccccc3s2)c1 ZINC000549422182 1090314990 /nfs/dbraw/zinc/31/49/90/1090314990.db2.gz YBTNLDYNZASIHD-CYBMUJFWSA-N -1 0 367.386 4.093 20 30 FIEDRM Cc1cc(Nc2c(C#N)cnn2-c2cccc(Cl)c2)ccc1C(=O)[O-] ZINC001211652833 1090656126 /nfs/dbraw/zinc/65/61/26/1090656126.db2.gz PUOLBVPGFKYEET-UHFFFAOYSA-N -1 0 352.781 4.148 20 30 FIEDRM CCCCCc1n[n-]c(=NC(=O)N[C@@H](CCCC#N)c2ccccc2)s1 ZINC000432743706 1092239779 /nfs/dbraw/zinc/23/97/79/1092239779.db2.gz YKGZQCAZJHWOJN-INIZCTEOSA-N -1 0 371.510 4.249 20 30 FIEDRM C=CCC[C@H](N=c1nc(CCOC)[n-]s1)c1ccc(C(F)(F)F)cc1 ZINC000441951463 1092347662 /nfs/dbraw/zinc/34/76/62/1092347662.db2.gz HVBBIZWJDOLYTC-AWEZNQCLSA-N -1 0 371.428 4.287 20 30 FIEDRM CCO[C@H](C)c1ncc(C([O-])=C(C#N)c2nc3ccccc3s2)s1 ZINC000442622020 1092702770 /nfs/dbraw/zinc/70/27/70/1092702770.db2.gz VLYMVPDRNXIIMG-GHMZBOCLSA-N -1 0 357.460 4.340 20 30 FIEDRM C[C@@H](Sc1n[n-]c(=NCCc2cccs2)s1)c1cccc(C#N)c1 ZINC000442913664 1092850941 /nfs/dbraw/zinc/85/09/41/1092850941.db2.gz IYGDTNSNMMGCIR-GFCCVEGCSA-N -1 0 372.544 4.401 20 30 FIEDRM C=C[C@H](CC(=O)N[C@H](CC(=O)[O-])c1ccc(SC)cc1)c1ccccc1 ZINC000191071678 1092982979 /nfs/dbraw/zinc/98/29/79/1092982979.db2.gz FSGBRBREKOBFQJ-DNVCBOLYSA-N -1 0 369.486 4.400 20 30 FIEDRM COc1ccccc1-c1nc(C([O-])=C(C#N)c2nc(C)cs2)cs1 ZINC000126211421 1093284923 /nfs/dbraw/zinc/28/49/23/1093284923.db2.gz GUICTQXXDMWDDM-LBPRGKRZSA-N -1 0 355.444 4.074 20 30 FIEDRM CC(C)Cc1nc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cs1 ZINC000114620720 1093659575 /nfs/dbraw/zinc/65/95/75/1093659575.db2.gz ZARQASFGEXPHGG-CYBMUJFWSA-N -1 0 368.487 4.350 20 30 FIEDRM C=CCOc1ccc(C(=O)Nc2cc(F)cc(Cl)c2[O-])cc1OC ZINC000474435802 1093782621 /nfs/dbraw/zinc/78/26/21/1093782621.db2.gz CZGKGBYBPAAFNT-UHFFFAOYSA-N -1 0 351.761 4.010 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2cc(-c3ccc(F)cc3)[nH]n2)n1 ZINC000474441537 1093788510 /nfs/dbraw/zinc/78/85/10/1093788510.db2.gz OJVZOBVCXZIVBH-ZDUSSCGKSA-N -1 0 354.410 4.286 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2coc3cc(C)c(C)cc32)n1 ZINC000473521989 1093991277 /nfs/dbraw/zinc/99/12/77/1093991277.db2.gz KUBXYOXSZFMNNW-ZDUSSCGKSA-N -1 0 368.414 4.173 20 30 FIEDRM C=CCN=c1[n-]nc(S[C@H](C)c2ccccc2Br)s1 ZINC000513242746 1094033814 /nfs/dbraw/zinc/03/38/14/1094033814.db2.gz XLONTCCRMKQTLH-SECBINFHSA-N -1 0 356.314 4.174 20 30 FIEDRM O=C1Nc2ccc([N+](=O)[O-])cc2C1=N[N-]c1nc(-c2ccccc2)cs1 ZINC000007349926 1094790565 /nfs/dbraw/zinc/79/05/65/1094790565.db2.gz KKXRBWDTUWVXBB-UHFFFAOYSA-N -1 0 365.374 4.136 20 30 FIEDRM Cc1ccc(-n2[n-]c(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@H]4C3)cc2=O)cc1 ZINC000329877767 1095302442 /nfs/dbraw/zinc/30/24/42/1095302442.db2.gz JTVCHEACWRBQSR-YESZJQIVSA-N -1 0 353.466 4.138 20 30 FIEDRM N#Cc1ccc2ncc(/C=C(\CCC(=O)[O-])c3nc4ccccc4s3)n2c1 ZINC000522963972 1095920339 /nfs/dbraw/zinc/92/03/39/1095920339.db2.gz RRLSYSFDSZFXGX-NTEUORMPSA-N -1 0 374.425 4.221 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)c(Cl)c1 ZINC000504051706 1096647906 /nfs/dbraw/zinc/64/79/06/1096647906.db2.gz LHCNWEJEFKKMJZ-UHFFFAOYSA-N -1 0 357.822 4.008 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2Nc2ccccc2)c(F)c1 ZINC000533391197 1099019270 /nfs/dbraw/zinc/01/92/70/1099019270.db2.gz OVYRHWSBRQQUGW-UHFFFAOYSA-N -1 0 367.405 4.242 20 30 FIEDRM N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(Cl)cc3[O-])s2)cc1 ZINC000436857047 1099357105 /nfs/dbraw/zinc/35/71/05/1099357105.db2.gz BYSFQQALPVHLQG-UHFFFAOYSA-N -1 0 369.833 4.217 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc3cc(F)ccc3s2)n1 ZINC000516346340 1099397425 /nfs/dbraw/zinc/39/74/25/1099397425.db2.gz FELRUWWYVMYIIC-LLVKDONJSA-N -1 0 374.418 4.164 20 30 FIEDRM Cc1cc(-c2ncccc2[N-]S(=O)(=O)c2ccc(C#N)cc2C)cs1 ZINC000437671121 1100084201 /nfs/dbraw/zinc/08/42/01/1100084201.db2.gz FJTPJSCZAUFJAZ-UHFFFAOYSA-N -1 0 369.471 4.099 20 30 FIEDRM N#CCCSc1ccccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000517433851 1100371813 /nfs/dbraw/zinc/37/18/13/1100371813.db2.gz GGQQPVXXCZTQGX-UHFFFAOYSA-N -1 0 352.868 4.147 20 30 FIEDRM CCC(CC)c1n[n-]c(=NCc2cccn2Cc2ccccc2C#N)s1 ZINC000438237904 1100523778 /nfs/dbraw/zinc/52/37/78/1100523778.db2.gz JEVGXRXBVHURJR-UHFFFAOYSA-N -1 0 365.506 4.197 20 30 FIEDRM CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccccc1Br ZINC000048519619 1100811756 /nfs/dbraw/zinc/81/17/56/1100811756.db2.gz OUYZHFFIZKIWBH-LLVKDONJSA-N -1 0 362.289 4.311 20 30 FIEDRM O=C(CCc1c[nH]c2ccccc12)[N-]S(=O)(=O)c1ccccc1Cl ZINC000048576327 1101253073 /nfs/dbraw/zinc/25/30/73/1101253073.db2.gz ONKNTFXNXHRFID-UHFFFAOYSA-N -1 0 362.838 4.099 20 30 FIEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cc1 ZINC000506552299 1101356794 /nfs/dbraw/zinc/35/67/94/1101356794.db2.gz FKZWWKDCDXCGKV-UHFFFAOYSA-N -1 0 360.744 4.031 20 30 FIEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@H](CCC)CCCC)cc2[n-]c1=S ZINC000175000821 1101409142 /nfs/dbraw/zinc/40/91/42/1101409142.db2.gz BBOJSANJDVDFMJ-OAHLLOKOSA-N -1 0 373.522 4.334 20 30 FIEDRM N#CC(=C([O-])c1csc(-c2ccccn2)n1)c1nc2ccccc2s1 ZINC000760151485 1101431217 /nfs/dbraw/zinc/43/12/17/1101431217.db2.gz RQJOWJQKBRQMJJ-NSHDSACASA-N -1 0 362.439 4.305 20 30 FIEDRM N#CC(=C([O-])c1csc(-c2cccc(C(F)(F)F)c2)n1)c1ccncn1 ZINC000546153663 1101743251 /nfs/dbraw/zinc/74/32/51/1101743251.db2.gz OGHWETJSPVDNEF-GFCCVEGCSA-N -1 0 374.347 4.109 20 30 FIEDRM Cc1cccc(C)c1OCCCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000533911994 1102147561 /nfs/dbraw/zinc/14/75/61/1102147561.db2.gz OOIFWZPCHFAVRI-UHFFFAOYSA-N -1 0 355.482 4.428 20 30 FIEDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2SCCC#N)cc1F ZINC000121632955 1102427902 /nfs/dbraw/zinc/42/79/02/1102427902.db2.gz XWSIALKSTAQOOK-UHFFFAOYSA-N -1 0 368.430 4.080 20 30 FIEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cnc(-c2ccccc2)s1 ZINC000123022233 1102746207 /nfs/dbraw/zinc/74/62/07/1102746207.db2.gz UMNIRCRMNZIMOY-CQSZACIVSA-N -1 0 358.426 4.187 20 30 FIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3nc(C)c(C)nc3C)n2)cc1 ZINC000551507980 1103294483 /nfs/dbraw/zinc/29/44/83/1103294483.db2.gz YEAHANSEHQQNQN-INIZCTEOSA-N -1 0 362.458 4.324 20 30 FIEDRM N#Cc1ccccc1COc1cccc(/C=C\c2ncc(C(=O)[O-])s2)c1 ZINC000520189468 1104160010 /nfs/dbraw/zinc/16/00/10/1104160010.db2.gz SXVKZAANXVNWPP-HJWRWDBZSA-N -1 0 362.410 4.462 20 30 FIEDRM CCc1ccc(C([O-])=C(C#N)c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000473946855 1104450484 /nfs/dbraw/zinc/45/04/84/1104450484.db2.gz RCVRMTCYGLTMQG-CYBMUJFWSA-N -1 0 351.387 4.257 20 30 FIEDRM Cn1nc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cc1C1CC1 ZINC000442674657 1105016913 /nfs/dbraw/zinc/01/69/13/1105016913.db2.gz ZEOMTEGPRTXRRC-LLVKDONJSA-N -1 0 356.838 4.051 20 30 FIEDRM N#CC(=C([O-])c1csc(-c2ccoc2)n1)c1ccc(C(F)(F)F)cn1 ZINC000108624309 1105226591 /nfs/dbraw/zinc/22/65/91/1105226591.db2.gz SQINFNDPOXVCSF-LLVKDONJSA-N -1 0 363.320 4.307 20 30 FIEDRM N#Cc1cc([N-]S(=O)(=O)c2ccsc2)ccc1Oc1ccccc1 ZINC000507918717 1105266229 /nfs/dbraw/zinc/26/62/29/1105266229.db2.gz GJSUFOUQWMGZMP-UHFFFAOYSA-N -1 0 356.428 4.213 20 30 FIEDRM N#CCc1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000507933058 1105276423 /nfs/dbraw/zinc/27/64/23/1105276423.db2.gz AWBJYTDICCUGNM-UHFFFAOYSA-N -1 0 374.771 4.226 20 30 FIEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1C(F)(F)F ZINC000508072094 1105320288 /nfs/dbraw/zinc/32/02/88/1105320288.db2.gz DJBJZEZHTJAPQX-UHFFFAOYSA-N -1 0 374.771 4.340 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(F)(F)F)cc1 ZINC000508092922 1105321886 /nfs/dbraw/zinc/32/18/86/1105321886.db2.gz BQVKPWPRZBEHCO-UHFFFAOYSA-N -1 0 360.744 4.031 20 30 FIEDRM CC(C)c1cccc(S(=O)(=O)[N-]c2cc(C#N)c3ccccc3n2)c1 ZINC000508112539 1105328090 /nfs/dbraw/zinc/32/80/90/1105328090.db2.gz MZEBUFBQGYZMQQ-UHFFFAOYSA-N -1 0 351.431 4.031 20 30 FIEDRM Cc1ncc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)s1 ZINC000508208317 1105351599 /nfs/dbraw/zinc/35/15/99/1105351599.db2.gz YDMRCVIIUBYZCJ-SECBINFHSA-N -1 0 361.398 4.343 20 30 FIEDRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000487497954 1107778331 /nfs/dbraw/zinc/77/83/31/1107778331.db2.gz GDEPBNAHUSPZES-UHFFFAOYSA-N -1 0 352.390 4.180 20 30 FIEDRM CC(F)(F)c1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cn1 ZINC000453563472 1108601520 /nfs/dbraw/zinc/60/15/20/1108601520.db2.gz DLUVMQBMZAVKQK-LLVKDONJSA-N -1 0 355.266 4.097 20 30 FIEDRM Cc1cccc(S(=O)(=O)[N-]c2cccc(COC(C)(C)C)c2C)c1C#N ZINC000440813272 1108890544 /nfs/dbraw/zinc/89/05/44/1108890544.db2.gz MKKJCBOVXHJAKX-UHFFFAOYSA-N -1 0 372.490 4.291 20 30 FIEDRM CC(C)(C)c1noc2ncc(C([O-])=C(C#N)c3nc4ccccc4o3)cc21 ZINC000524433702 1109009659 /nfs/dbraw/zinc/00/96/59/1109009659.db2.gz JVDIFAFJFPHHTD-ZDUSSCGKSA-N -1 0 360.373 4.152 20 30 FIEDRM Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(-c2ccco2)cc1F ZINC000447269630 1109492037 /nfs/dbraw/zinc/49/20/37/1109492037.db2.gz DOSJFSARHZBTSC-UHFFFAOYSA-N -1 0 356.378 4.067 20 30 FIEDRM N#Cc1cccc(-c2cc(C(=O)[N-]c3c(F)cc(Cl)cc3F)on2)c1 ZINC000448346898 1109778698 /nfs/dbraw/zinc/77/86/98/1109778698.db2.gz SNGWSJYCGYJYLN-UHFFFAOYSA-N -1 0 359.719 4.397 20 30 FIEDRM CCn1nc(C)cc1C([O-])=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000102121263 1110251678 /nfs/dbraw/zinc/25/16/78/1110251678.db2.gz HTCRLEAOLLUELM-CQSZACIVSA-N -1 0 370.865 4.478 20 30 FIEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)ccc1Cl ZINC000461330921 1111163892 /nfs/dbraw/zinc/16/38/92/1111163892.db2.gz JEXDEPFLHYJUBW-UHFFFAOYSA-N -1 0 366.773 4.093 20 30 FIEDRM CC(C)C(=O)Nc1ccc(C([O-])=C(C#N)c2nc3ccccc3s2)cc1 ZINC000041498602 1111516836 /nfs/dbraw/zinc/51/68/36/1111516836.db2.gz WJNOJIHXOMVHOG-OAHLLOKOSA-N -1 0 363.442 4.381 20 30 FIEDRM CC(C)C(=O)Nc1ccc(C([O-])=C(C#N)c2nc3ccccc3s2)cc1 ZINC000041498606 1111517080 /nfs/dbraw/zinc/51/70/80/1111517080.db2.gz WJNOJIHXOMVHOG-HNNXBMFYSA-N -1 0 363.442 4.381 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cnn(-c3ccc(Cl)cc3)c2C)n1 ZINC000041516760 1111580501 /nfs/dbraw/zinc/58/05/01/1111580501.db2.gz HKOQUFHPCOWLFT-AWEZNQCLSA-N -1 0 356.838 4.089 20 30 FIEDRM CSc1ccc(C)c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000479505796 1112049834 /nfs/dbraw/zinc/04/98/34/1112049834.db2.gz WEJFZQDDOKXSFN-UHFFFAOYSA-N -1 0 352.868 4.043 20 30 FIEDRM CC[C@@H](C)n1nc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cc1C ZINC000480940045 1112688320 /nfs/dbraw/zinc/68/83/20/1112688320.db2.gz JJIPVOXLELARMJ-DGCLKSJQSA-N -1 0 371.391 4.397 20 30 FIEDRM Cc1ccc(CC(=O)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000042233311 1112837557 /nfs/dbraw/zinc/83/75/57/1112837557.db2.gz KRTNKWBTLOPBGZ-UHFFFAOYSA-N -1 0 358.246 4.190 20 30 FIEDRM O=C(CCc1ccsc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000042233212 1112840666 /nfs/dbraw/zinc/84/06/66/1112840666.db2.gz AVUCAZLAAIEFMM-UHFFFAOYSA-N -1 0 364.275 4.333 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cc3ccccc3[nH]c2=O)s1 ZINC000555698356 1112969590 /nfs/dbraw/zinc/96/95/90/1112969590.db2.gz AILHTSOQMLSTGR-ZDUSSCGKSA-N -1 0 351.431 4.184 20 30 FIEDRM CC(C)(C#N)c1ccc(NC(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000159807192 1113236212 /nfs/dbraw/zinc/23/62/12/1113236212.db2.gz CSHIJLGAABCQLI-UHFFFAOYSA-N -1 0 359.223 4.208 20 30 FIEDRM N#Cc1cc(F)ccc1CSc1n[n-]c(=Nc2cccc(F)c2)s1 ZINC000483244161 1113470509 /nfs/dbraw/zinc/47/05/09/1113470509.db2.gz UEPTYELMSZIFRI-UHFFFAOYSA-N -1 0 360.414 4.146 20 30 FIEDRM C=CCC(CC=C)C(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1 ZINC000911331590 1113970053 /nfs/dbraw/zinc/97/00/53/1113970053.db2.gz UJOJPQIDBMHQMW-HNNXBMFYSA-N -1 0 368.433 4.231 20 30 FIEDRM O=C(Cc1cccc2ccccc21)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000045100017 1114561048 /nfs/dbraw/zinc/56/10/48/1114561048.db2.gz IJMLKGJVNVKYIR-UHFFFAOYSA-N -1 0 357.406 4.008 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2cnn(-c3ccccc3F)c2)n1 ZINC000080450294 1114603150 /nfs/dbraw/zinc/60/31/50/1114603150.db2.gz QNWKCQKMZNYMHN-CYBMUJFWSA-N -1 0 354.410 4.081 20 30 FIEDRM Cc1nc(C)c(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2Cl)s1 ZINC000129662418 1114648935 /nfs/dbraw/zinc/64/89/35/1114648935.db2.gz DCTXYEGJEWPZDD-JTQLQIEISA-N -1 0 368.245 4.028 20 30 FIEDRM N#Cc1ccccc1Oc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000057123181 1114874049 /nfs/dbraw/zinc/87/40/49/1114874049.db2.gz KNVBZPFVCLTYKZ-UHFFFAOYSA-N -1 0 356.428 4.213 20 30 FIEDRM Cc1nc(CC(C)C)sc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000590208517 1114906955 /nfs/dbraw/zinc/90/69/55/1114906955.db2.gz SDHQZVBVISLUQG-ZDUSSCGKSA-N -1 0 352.463 4.027 20 30 FIEDRM N#CC(=C([O-])c1ccc(C(F)(F)F)nc1)c1nc2cc(F)ccc2s1 ZINC000592974099 1115272867 /nfs/dbraw/zinc/27/28/67/1115272867.db2.gz NSTNEVYYBDMBCW-SNVBAGLBSA-N -1 0 365.311 4.339 20 30 FIEDRM CC(C)(C#N)c1ccc(S(=O)(=O)[N-]c2cc(C3(C)CCCC3)on2)cc1 ZINC000593279238 1115316311 /nfs/dbraw/zinc/31/63/11/1115316311.db2.gz AFUZLNVVOPXOPB-UHFFFAOYSA-N -1 0 373.478 4.108 20 30 FIEDRM CC(C)(C)c1csc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)n1 ZINC000593276023 1115316349 /nfs/dbraw/zinc/31/63/49/1115316349.db2.gz AYBKICGXKITMCL-UHFFFAOYSA-N -1 0 363.508 4.043 20 30 FIEDRM O=C([O-])CCOc1ccc(/C=C/C(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000058984070 1115384202 /nfs/dbraw/zinc/38/42/02/1115384202.db2.gz RKRAGPWYAREIMH-RMKNXTFCSA-N -1 0 364.319 4.455 20 30 FIEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)C(c1ccccc1)c1ccccc1 ZINC000046927935 1115549448 /nfs/dbraw/zinc/54/94/48/1115549448.db2.gz CIRMVOPYKTYCFG-UHFFFAOYSA-N -1 0 365.454 4.472 20 30 FIEDRM N#CC1(CC(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)CCOCC1 ZINC000597468480 1115668974 /nfs/dbraw/zinc/66/89/74/1115668974.db2.gz URPAQMHFSLWAKN-UHFFFAOYSA-N -1 0 363.628 4.001 20 30 FIEDRM CCSc1ccc(C([O-])=C(C#N)C(=O)c2c(C)[nH]c3ccccc32)cn1 ZINC000171033922 1115824953 /nfs/dbraw/zinc/82/49/53/1115824953.db2.gz DCNQZMHAUFMIKR-OAHLLOKOSA-N -1 0 363.442 4.189 20 30 FIEDRM Cc1ccc(CCCCC(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2)cc1 ZINC000064099813 1116142019 /nfs/dbraw/zinc/14/20/19/1116142019.db2.gz YYADARAMZIJOFM-UHFFFAOYSA-N -1 0 370.474 4.066 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2ccc(Br)c3ccccc23)cc1[O-] ZINC000443115427 1116354196 /nfs/dbraw/zinc/35/41/96/1116354196.db2.gz ZSLYIJOQLXOKFE-UHFFFAOYSA-N -1 0 367.202 4.432 20 30 FIEDRM COc1nc(C)ccc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000539678149 1116365025 /nfs/dbraw/zinc/36/50/25/1116365025.db2.gz IXKPBSSGFCXWJP-LBPRGKRZSA-N -1 0 357.822 4.152 20 30 FIEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000443460869 1118377486 /nfs/dbraw/zinc/37/74/86/1118377486.db2.gz MBHKNTVBXMURDV-UHFFFAOYSA-N -1 0 374.771 4.340 20 30 FIEDRM Cc1nc(C(F)(F)F)sc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1 ZINC000464187797 1118476443 /nfs/dbraw/zinc/47/64/43/1118476443.db2.gz ZSKOCMWEAJKINO-SECBINFHSA-N -1 0 364.352 4.145 20 30 FIEDRM CCO[C@H](C)c1ncc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)s1 ZINC000464429596 1118554978 /nfs/dbraw/zinc/55/49/78/1118554978.db2.gz WWEJYTOFNLDDQU-KOLCDFICSA-N -1 0 369.368 4.144 20 30 FIEDRM COCc1c2ccccc2oc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464461247 1118578406 /nfs/dbraw/zinc/57/84/06/1118578406.db2.gz AZOIMRLEANXNTE-ZDUSSCGKSA-N -1 0 374.318 4.483 20 30 FIEDRM N#Cc1ccc([O-])c(NC(=O)CCCCc2nc3ccccc3s2)c1 ZINC000176391998 1118990646 /nfs/dbraw/zinc/99/06/46/1118990646.db2.gz SIPYONQQWBBWJH-UHFFFAOYSA-N -1 0 351.431 4.225 20 30 FIEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1nc3ccc(F)cc3s1)CC2 ZINC000761478663 1119169212 /nfs/dbraw/zinc/16/92/12/1119169212.db2.gz VDZWAECJEDFJFE-RMKNXTFCSA-N -1 0 357.362 4.248 20 30 FIEDRM COc1cc(/C=C/c2nc3ccc(C(=O)[O-])cc3s2)ccc1OCC#N ZINC000761486447 1119257129 /nfs/dbraw/zinc/25/71/29/1119257129.db2.gz OFTRCIPZGXEFDA-XVNBXDOJSA-N -1 0 366.398 4.076 20 30 FIEDRM Cc1c(Br)scc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000187237724 1119773953 /nfs/dbraw/zinc/77/39/53/1119773953.db2.gz VFQBKTXANKIEBT-VIFPVBQESA-N -1 0 361.220 4.450 20 30 FIEDRM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000191570434 1119985040 /nfs/dbraw/zinc/98/50/40/1119985040.db2.gz PCQFKKUDPNMAAX-UHFFFAOYSA-N -1 0 361.511 4.192 20 30 FIEDRM CC(=O)Nc1cccc([C@H](C)/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000914556642 1120361151 /nfs/dbraw/zinc/36/11/51/1120361151.db2.gz DHNCGGOJLICPEG-OVNPTBDBSA-N -1 0 361.785 4.092 20 30 FIEDRM CN(C)C(=O)c1cccc(C/N=C\c2cc(Cl)cc(Cl)c2[O-])c1 ZINC000914703493 1120479773 /nfs/dbraw/zinc/47/97/73/1120479773.db2.gz SBKMZLVAAGSTCU-JMIUGGIZSA-N -1 0 351.233 4.020 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2ccc(C(F)(F)F)nc2OC(C)C)n1 ZINC000495229101 1120547525 /nfs/dbraw/zinc/54/75/25/1120547525.db2.gz NEHYQWQPCYWMGR-LLVKDONJSA-N -1 0 369.368 4.143 20 30 FIEDRM CCn1ncc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1-c1ccccc1 ZINC000495254465 1120584130 /nfs/dbraw/zinc/58/41/30/1120584130.db2.gz YCOXXWRXSXSSJL-INIZCTEOSA-N -1 0 367.412 4.003 20 30 FIEDRM N#CC(=C([O-])C1=Cc2cc(F)ccc2OC1)c1nc2ccccc2s1 ZINC000762019243 1120649741 /nfs/dbraw/zinc/64/97/41/1120649741.db2.gz QJNZKHSISQDBTO-AWEZNQCLSA-N -1 0 350.374 4.088 20 30 FIEDRM CC(=Cc1ccc(-c2ccccc2Cl)o1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000193612103 1120982311 /nfs/dbraw/zinc/98/23/11/1120982311.db2.gz HHSOSRZDPMEUSG-PKNBQFBNSA-N -1 0 351.793 4.424 20 30 FIEDRM O=C([O-])Cc1ccc(C(=O)/C=C\c2ccc(Br)c(F)c2)cc1 ZINC000763114975 1121129881 /nfs/dbraw/zinc/12/98/81/1121129881.db2.gz WMBVSBBZRHJPPC-YWEYNIOJSA-N -1 0 363.182 4.111 20 30 FIEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2ccc(Br)c(F)c2)cc1 ZINC000763114973 1121130237 /nfs/dbraw/zinc/13/02/37/1121130237.db2.gz WMBVSBBZRHJPPC-XBXARRHUSA-N -1 0 363.182 4.111 20 30 FIEDRM Cc1cc(C)c2c(c1)C(=O)/C(=C\c1cccc(OCCC(=O)[O-])c1)CCO2 ZINC000763115898 1121134121 /nfs/dbraw/zinc/13/41/21/1121134121.db2.gz HEJRKUFONWREBH-ATVHPVEESA-N -1 0 366.413 4.206 20 30 FIEDRM COc1ccc2oc(/C=C/C(=O)c3cccc(O[C@@H](C)C(=O)[O-])c3)cc2c1 ZINC000763290490 1121319680 /nfs/dbraw/zinc/31/96/80/1121319680.db2.gz QNNOLRAASAGZKD-CFNZNRNTSA-N -1 0 366.369 4.189 20 30 FIEDRM COc1ccc2oc(/C=C/C(=O)c3cccc(O[C@H](C)C(=O)[O-])c3)cc2c1 ZINC000763290492 1121320287 /nfs/dbraw/zinc/32/02/87/1121320287.db2.gz QNNOLRAASAGZKD-STMXVASLSA-N -1 0 366.369 4.189 20 30 FIEDRM CCC(=O)Nc1ccc(C)c(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000915978456 1121360458 /nfs/dbraw/zinc/36/04/58/1121360458.db2.gz FUTXKWWREKGHBX-UHFFFAOYSA-N -1 0 361.785 4.361 20 30 FIEDRM COc1ccc(F)cc1[C@H](C)/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000915981363 1121362710 /nfs/dbraw/zinc/36/27/10/1121362710.db2.gz QVTOWJGPOAEDLD-VFKKPVCESA-N -1 0 352.749 4.282 20 30 FIEDRM COc1ccc([C@@H](C)/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1OC ZINC000915982737 1121362993 /nfs/dbraw/zinc/36/29/93/1121362993.db2.gz AFMNHLNDVBMJTP-XTTRTJGBSA-N -1 0 364.785 4.151 20 30 FIEDRM O=C([O-])CCOc1ccc(/C=C/C(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000915985226 1121366484 /nfs/dbraw/zinc/36/64/84/1121366484.db2.gz KAYKTXRGUPDIKX-KPKJPENVSA-N -1 0 350.414 4.315 20 30 FIEDRM O=C([O-])Cc1ccc(C(=O)/C=C\c2cc(Cl)ccc2OC(F)F)cc1 ZINC000915987739 1121367570 /nfs/dbraw/zinc/36/75/70/1121367570.db2.gz KCMVMCSDLHKYPA-ALCCZGGFSA-N -1 0 366.747 4.465 20 30 FIEDRM Cc1nn(Cc2ccccc2)c(C)c1/C=C/C(=O)c1ccc(CC(=O)[O-])cc1 ZINC000915991115 1121369390 /nfs/dbraw/zinc/36/93/90/1121369390.db2.gz VGJBIJNHHJPAQW-OUKQBFOZSA-N -1 0 374.440 4.071 20 30 FIEDRM CC(C)c1ccc(/C=C\C(=O)c2ccc([O-])c(CN3CCOCC3)c2)cc1 ZINC000916129949 1121419007 /nfs/dbraw/zinc/41/90/07/1121419007.db2.gz CTABRMJXPZZXPS-UITAMQMPSA-N -1 0 365.473 4.244 20 30 FIEDRM CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1cccc(OC(F)F)c1 ZINC000916259300 1121453286 /nfs/dbraw/zinc/45/32/86/1121453286.db2.gz CTQYSORQPUWEOJ-UHFFFAOYSA-N -1 0 354.740 4.476 20 30 FIEDRM O=C([O-])COc1ccccc1C=NN=C(c1ccccc1)c1ccccc1 ZINC000916264152 1121458382 /nfs/dbraw/zinc/45/83/82/1121458382.db2.gz ZNYHAPAITANWLB-UHFFFAOYSA-N -1 0 358.397 4.022 20 30 FIEDRM CCC(=NNC(=S)Nc1cccnc1)c1cc(Cl)cc(Cl)c1[O-] ZINC000916299363 1121466642 /nfs/dbraw/zinc/46/66/42/1121466642.db2.gz LHEQZSUHBGPZJX-UHFFFAOYSA-N -1 0 369.277 4.195 20 30 FIEDRM Cc1nc(-c2ccc(C)cc2)sc1C(C)N=Nc1ccc(C(=O)[O-])cn1 ZINC000763377665 1121548862 /nfs/dbraw/zinc/54/88/62/1121548862.db2.gz RXDYAWHBIYHVHY-UHFFFAOYSA-N -1 0 366.446 4.356 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3occ4c3CCC4)n2)cc1 ZINC000671757757 1121775550 /nfs/dbraw/zinc/77/55/50/1121775550.db2.gz WQMYBHGFVFGVNQ-INIZCTEOSA-N -1 0 364.426 4.390 20 30 FIEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)c1cccc2cc(C)cnc21 ZINC000916796763 1121863399 /nfs/dbraw/zinc/86/33/99/1121863399.db2.gz OPTWWHHLDAVNQT-UHFFFAOYSA-N -1 0 362.495 4.099 20 30 FIEDRM Cc1oc(-c2cccs2)nc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000916844739 1121886284 /nfs/dbraw/zinc/88/62/84/1121886284.db2.gz AIBSCFGZQMPYOA-GFCCVEGCSA-N -1 0 362.414 4.088 20 30 FIEDRM N#CC(C(=O)c1ccc(Cl)cc1)=C([O-])c1sccc1Br ZINC000916871511 1121903267 /nfs/dbraw/zinc/90/32/67/1121903267.db2.gz UQZPYRNYFLTWHV-SNVBAGLBSA-N -1 0 368.639 4.369 20 30 FIEDRM CC(C)(C)[C@H]1CCc2sc(C([O-])=C(C#N)C(=O)NC3CCCC3)cc2C1 ZINC000917040997 1122012247 /nfs/dbraw/zinc/01/22/47/1122012247.db2.gz DOTBWQXSSWEDCB-GOEBONIOSA-N -1 0 372.534 4.280 20 30 FIEDRM CC(C)(C)[C@@H]1CCc2sc(C([O-])=C(C#N)C(=O)NC3CCCC3)cc2C1 ZINC000917040996 1122012779 /nfs/dbraw/zinc/01/27/79/1122012779.db2.gz DOTBWQXSSWEDCB-GDBMZVCRSA-N -1 0 372.534 4.280 20 30 FIEDRM N#CC(=C([O-])c1ccc(Cl)o1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000066544734 1122071991 /nfs/dbraw/zinc/07/19/91/1122071991.db2.gz NBBPNKUHHVSRKU-GFCCVEGCSA-N -1 0 353.790 4.418 20 30 FIEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1ccccc1-c1ccccc1 ZINC000917540911 1122347329 /nfs/dbraw/zinc/34/73/29/1122347329.db2.gz GUDYVFCKBYZCBN-UHFFFAOYSA-N -1 0 357.438 4.234 20 30 FIEDRM C=C(Cl)COc1ccc(C(=O)/C=C\c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000917560738 1122354028 /nfs/dbraw/zinc/35/40/28/1122354028.db2.gz YAPXRGVTRAEIDQ-WCIBSUBMSA-N -1 0 372.804 4.177 20 30 FIEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\CCCOCCc2ccccc2)c1[O-] ZINC000917557819 1122361606 /nfs/dbraw/zinc/36/16/06/1122361606.db2.gz WKOVREDCXBYWQO-MOSHPQCFSA-N -1 0 362.813 4.022 20 30 FIEDRM CCc1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)oc1CC ZINC000128966828 1122478999 /nfs/dbraw/zinc/47/89/99/1122478999.db2.gz BYGUEYUOQQPUHC-CQSZACIVSA-N -1 0 351.431 4.413 20 30 FIEDRM Cc1nc(-c2ccccc2)oc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1 ZINC000498027028 1122524753 /nfs/dbraw/zinc/52/47/53/1122524753.db2.gz OHNZMKMFENNZPL-HNNXBMFYSA-N -1 0 356.385 4.325 20 30 FIEDRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)c1 ZINC000498020902 1122529249 /nfs/dbraw/zinc/52/92/49/1122529249.db2.gz WEXBKUJPGJUJHQ-UHFFFAOYSA-N -1 0 364.854 4.108 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCc1nc2ccccc2o1 ZINC000920101813 1123349962 /nfs/dbraw/zinc/34/99/62/1123349962.db2.gz JSBWTMTZRJCWRO-OAHLLOKOSA-N -1 0 371.396 4.142 20 30 FIEDRM CC(C)(C)c1ncc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)s1 ZINC000920323181 1123443802 /nfs/dbraw/zinc/44/38/02/1123443802.db2.gz FSHHDLOTPDRKSY-SNVBAGLBSA-N -1 0 361.854 4.055 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H](C)Cc1ccc(F)cc1 ZINC000921133426 1123568708 /nfs/dbraw/zinc/56/87/08/1123568708.db2.gz MHTSECTUVZICEY-FZKQIMNGSA-N -1 0 362.404 4.386 20 30 FIEDRM Cc1csc([C@H](C#N)C(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)n1 ZINC000076763406 1123628206 /nfs/dbraw/zinc/62/82/06/1123628206.db2.gz WZUGQOSOVPKMAW-CYBMUJFWSA-N -1 0 359.426 4.065 20 30 FIEDRM CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000064374858 1123721523 /nfs/dbraw/zinc/72/15/23/1123721523.db2.gz RUCKWQOFFSPPET-UHFFFAOYSA-N -1 0 373.286 4.388 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cccs3)c2)c(F)c1 ZINC000610058594 1123929824 /nfs/dbraw/zinc/92/98/24/1123929824.db2.gz RBVBPNDNFWVIGG-UHFFFAOYSA-N -1 0 358.419 4.227 20 30 FIEDRM CC(C)Cn1ccc2cc([N-]S(=O)(=O)c3ccc(C#N)cc3F)ccc21 ZINC000610057425 1123930120 /nfs/dbraw/zinc/93/01/20/1123930120.db2.gz GHIWIFIGQDJYSP-UHFFFAOYSA-N -1 0 371.437 4.109 20 30 FIEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000180737676 1124417826 /nfs/dbraw/zinc/41/78/26/1124417826.db2.gz BXCOXWKHRUAIBY-KRWDZBQOSA-N -1 0 370.861 4.092 20 30 FIEDRM C[C@H](Cc1cccc(F)c1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000069282595 1124719565 /nfs/dbraw/zinc/71/95/65/1124719565.db2.gz NZLRKJUFNLBVJG-SECBINFHSA-N -1 0 361.847 4.065 20 30 FIEDRM CC(C)CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000069284300 1124720684 /nfs/dbraw/zinc/72/06/84/1124720684.db2.gz ZPWMFBIDEHWERQ-QMMMGPOBSA-N -1 0 374.311 4.151 20 30 FIEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)C1(c2cccc(F)c2)CCCC1 ZINC000069524210 1124933091 /nfs/dbraw/zinc/93/30/91/1124933091.db2.gz NLRRXGGLNHXQQA-UHFFFAOYSA-N -1 0 361.438 4.291 20 30 FIEDRM O=C(CCc1cccs1)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000069571396 1124991065 /nfs/dbraw/zinc/99/10/65/1124991065.db2.gz CZMRFMWFKMZWED-UHFFFAOYSA-N -1 0 363.382 4.045 20 30 FIEDRM CC(C)(C)c1cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)n[nH]1 ZINC000076607165 1125006288 /nfs/dbraw/zinc/00/62/88/1125006288.db2.gz DGCGHHZRDQDKJM-JTQLQIEISA-N -1 0 358.854 4.460 20 30 FIEDRM O=C([N-]S(=O)(=O)Cc1ccccc1)C1(c2cccc(F)c2)CCCC1 ZINC000069612770 1125027249 /nfs/dbraw/zinc/02/72/49/1125027249.db2.gz IMRDOWPYHNZMME-UHFFFAOYSA-N -1 0 361.438 4.124 20 30 FIEDRM O=C(CCc1ccsc1)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000069641625 1125079283 /nfs/dbraw/zinc/07/92/83/1125079283.db2.gz XJNFMQHBGUTVHR-UHFFFAOYSA-N -1 0 370.304 4.394 20 30 FIEDRM Cc1cc(C)n(Cc2ccc(C([O-])=C(C#N)c3nc4ccccc4o3)cc2)n1 ZINC000147241928 1125434058 /nfs/dbraw/zinc/43/40/58/1125434058.db2.gz AVZDKTMQLJOHPW-GOSISDBHSA-N -1 0 370.412 4.180 20 30 FIEDRM N#Cc1ccc2ncc(/C=C\c3nc(C(=O)[O-])c(-c4ccccc4)s3)n2c1 ZINC000541800720 567857240 /nfs/dbraw/zinc/85/72/40/567857240.db2.gz JNTFHMNVXCLSIT-CLFYSBASSA-N -1 0 372.409 4.198 20 30 FIEDRM C[C@@H](CC(=O)[O-])CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N ZINC000601982298 567895758 /nfs/dbraw/zinc/89/57/58/567895758.db2.gz HQIYYKNMXLBTQX-SNVBAGLBSA-N -1 0 374.384 4.151 20 30 FIEDRM CCn1cc(C([O-])=C(C#N)c2nc3cc(C(F)(F)F)ccc3s2)cn1 ZINC000604005423 568195846 /nfs/dbraw/zinc/19/58/46/568195846.db2.gz GZGFLXDQBOSPGD-LLVKDONJSA-N -1 0 364.352 4.022 20 30 FIEDRM CC(C)(C)OC(=O)N[C@@](C)(C(=O)[O-])c1ccc(-c2ccsc2C#N)cc1 ZINC000863974111 939246323 /nfs/dbraw/zinc/24/63/23/939246323.db2.gz WEVULQYZPUCKEL-LJQANCHMSA-N -1 0 372.446 4.111 20 30 FIEDRM C=C(C)COc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)c1 ZINC000568585964 939368643 /nfs/dbraw/zinc/36/86/43/939368643.db2.gz BFTYNYTWCLIMCS-GOSISDBHSA-N -1 0 372.396 4.036 20 30 FIEDRM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000619569637 1125618092 /nfs/dbraw/zinc/61/80/92/1125618092.db2.gz HGQWEPAUFCTZCS-UHFFFAOYSA-N -1 0 374.771 4.226 20 30 FIEDRM C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000183130347 1125754728 /nfs/dbraw/zinc/75/47/28/1125754728.db2.gz NTPJODBGUYLRJQ-CQSZACIVSA-N -1 0 358.463 4.076 20 30 FIEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c(Cl)cc1F ZINC000471106587 1079572636 /nfs/dbraw/zinc/57/26/36/1079572636.db2.gz ATCPKOZWQQTKCO-UHFFFAOYSA-N -1 0 359.209 4.113 20 30 FIEDRM CC(C)(C)n1ccc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)n1 ZINC000654971600 1079786721 /nfs/dbraw/zinc/78/67/21/1079786721.db2.gz FTKNEAWYYYWAMM-LLVKDONJSA-N -1 0 358.854 4.391 20 30 FIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)c1 ZINC000186999055 1079851039 /nfs/dbraw/zinc/85/10/39/1079851039.db2.gz OPLCNMHXDSHKLL-UHFFFAOYSA-N -1 0 374.771 4.117 20 30 FIEDRM COc1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)ccc1Cl ZINC000120057922 1080366153 /nfs/dbraw/zinc/36/61/53/1080366153.db2.gz CAJFBFSHSOHONS-ZDUSSCGKSA-N -1 0 369.833 4.357 20 30 FIEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\Cc2nnc(-c3ccccc3)s2)c1[O-] ZINC000255109260 1081210342 /nfs/dbraw/zinc/21/03/42/1081210342.db2.gz QLUDJPMTTITHPE-LSCVHKIXSA-N -1 0 374.809 4.091 20 30 FIEDRM COc1cccc(C(C)=CC(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)c1 ZINC000255128708 1081368839 /nfs/dbraw/zinc/36/88/39/1081368839.db2.gz XNEBMNOLOQTLGA-KWRJMZDGSA-N -1 0 372.424 4.480 20 30 FIEDRM O=C([N-]S(=O)(=O)C=Cc1ccccc1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000050204876 1081921142 /nfs/dbraw/zinc/92/11/42/1081921142.db2.gz VYBBRAJJZMWOMT-VEUZHWNKSA-N -1 0 361.850 4.401 20 30 FIEDRM C[C@@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000083791452 1082021843 /nfs/dbraw/zinc/02/18/43/1082021843.db2.gz ASPKMCAYEPLSRB-ZDUSSCGKSA-N -1 0 351.855 4.005 20 30 FIEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cc(-c2ccccc2)ccc1Cl ZINC000580669449 1082074293 /nfs/dbraw/zinc/07/42/93/1082074293.db2.gz GFUQZWBWJCCQKF-UHFFFAOYSA-N -1 0 362.820 4.153 20 30 FIEDRM Cc1ccc(Oc2ccccc2)c([N-]S(=O)(=O)c2ccc(C#N)o2)c1 ZINC000581362179 1082494224 /nfs/dbraw/zinc/49/42/24/1082494224.db2.gz DJLGLBIDQINMMI-UHFFFAOYSA-N -1 0 354.387 4.053 20 30 FIEDRM N#CC(=C([O-])C=Cc1ccnc(Cl)c1)c1nc(-c2ccncc2)cs1 ZINC000255338670 1082757072 /nfs/dbraw/zinc/75/70/72/1082757072.db2.gz WHHVQIKWSVOGOH-BOPNBLERSA-N -1 0 366.833 4.143 20 30 FIEDRM Cc1ccc(C(=O)CCC(=O)[N-]S(=O)(=O)[C@H](C)c2ccccc2)cc1 ZINC000077881099 1082797946 /nfs/dbraw/zinc/79/79/46/1082797946.db2.gz AAJRLGXEGHUKNJ-OAHLLOKOSA-N -1 0 359.447 4.005 20 30 FIEDRM CCC(CC)n1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)n1 ZINC000431131169 1083345341 /nfs/dbraw/zinc/34/53/41/1083345341.db2.gz ZDOBUXSPTOSKKS-CYBMUJFWSA-N -1 0 371.391 4.479 20 30 FIEDRM CCC(CC)n1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)n1 ZINC000431142961 1083351118 /nfs/dbraw/zinc/35/11/18/1083351118.db2.gz HSESBTRDGPSKRK-CYBMUJFWSA-N -1 0 350.344 4.148 20 30 FIEDRM Cc1nc([C@@H]2CCCOC2)sc1C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000647379823 1083377133 /nfs/dbraw/zinc/37/71/33/1083377133.db2.gz PLCNXMYNIKCJOW-OLZOCXBDSA-N -1 0 373.503 4.170 20 30 FIEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\[C@@H]2CCO[C@@H](c3ccccc3)C2)c1[O-] ZINC000588467620 1083565303 /nfs/dbraw/zinc/56/53/03/1083565303.db2.gz YFVUWZSAJGYDNM-ZHEQXWMNSA-N -1 0 360.797 4.293 20 30 FIEDRM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000443420187 1083771921 /nfs/dbraw/zinc/77/19/21/1083771921.db2.gz SRPACOBGGSWCJV-UHFFFAOYSA-N -1 0 356.369 4.020 20 30 FIEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@](C)(CC(=O)[O-])C1CCCCC1 ZINC000236620766 1083845531 /nfs/dbraw/zinc/84/55/31/1083845531.db2.gz VWBBRICWKIQJKU-NRFANRHFSA-N -1 0 372.465 4.345 20 30 FIEDRM CCCCS(=O)(=O)[N-]C(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000066003099 1083944102 /nfs/dbraw/zinc/94/41/02/1083944102.db2.gz POGOFRCXPVATQR-NSHDSACASA-N -1 0 351.390 4.285 20 30 FIEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)CCc2cc(F)ccc2F)cc1 ZINC000066003281 1083944887 /nfs/dbraw/zinc/94/48/87/1083944887.db2.gz FOWLVAHWJCEDNF-UHFFFAOYSA-N -1 0 367.417 4.195 20 30 FIEDRM COC(=O)c1ccccc1-c1ccc(/C=C/C(=O)c2ccc([O-])c(F)c2)o1 ZINC000728439310 1084168842 /nfs/dbraw/zinc/16/88/42/1084168842.db2.gz ZKTBEESPTYSSKL-JXMROGBWSA-N -1 0 366.344 4.474 20 30 FIEDRM O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1cc(Br)ccc1F ZINC000177909412 1084447748 /nfs/dbraw/zinc/44/77/48/1084447748.db2.gz UMMZBDGGXZUOBE-QHHAFSJGSA-N -1 0 366.142 4.098 20 30 FIEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC000609387842 1084536926 /nfs/dbraw/zinc/53/69/26/1084536926.db2.gz KAUZOPMDUIBWMC-HOCLYGCPSA-N -1 0 368.458 4.135 20 30 FIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3n[nH]c4c3CCCC4)n2)cc1 ZINC000613314217 1084581985 /nfs/dbraw/zinc/58/19/85/1084581985.db2.gz BRYJWYAYKSQYOS-HNNXBMFYSA-N -1 0 362.458 4.211 20 30 FIEDRM COc1c(Br)c(C)sc1C([O-])=C(C#N)c1nc(C)cs1 ZINC000173897839 1084706963 /nfs/dbraw/zinc/70/69/63/1084706963.db2.gz JNOLLYAEUPIQNZ-QMMMGPOBSA-N -1 0 371.281 4.083 20 30 FIEDRM N#CC(=C([O-])c1ccc(F)c(Br)c1)c1nc2ccccc2o1 ZINC000174013767 1084720755 /nfs/dbraw/zinc/72/07/55/1084720755.db2.gz NRGZVUINVPGDQW-SNVBAGLBSA-N -1 0 359.154 4.219 20 30 FIEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\C[C@H](O)c2ccc3ccccc3c2)c1[O-] ZINC000255901249 1085040424 /nfs/dbraw/zinc/04/04/24/1085040424.db2.gz FNZGSKYNNMACSC-OIQMFWTRSA-N -1 0 370.792 4.260 20 30 FIEDRM N#CC(=C([O-])c1occc1Br)c1nc(-c2ccncc2)cs1 ZINC000176114118 1085080325 /nfs/dbraw/zinc/08/03/25/1085080325.db2.gz VRNYBZAKZPXPHE-SNVBAGLBSA-N -1 0 374.219 4.051 20 30 FIEDRM C[S@](=O)c1cccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)c1 ZINC000613760259 1085247142 /nfs/dbraw/zinc/24/71/42/1085247142.db2.gz OTBBSTPOPKQJIC-CPJLOUKISA-N -1 0 366.467 4.038 20 30 FIEDRM C[S@@](=O)c1cccc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)c1 ZINC000613760115 1085250452 /nfs/dbraw/zinc/25/04/52/1085250452.db2.gz BWDVGXIUOLCPCG-RKNYENMMSA-N -1 0 374.874 4.177 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccn1C ZINC000684948577 1085285854 /nfs/dbraw/zinc/28/58/54/1085285854.db2.gz XXAYBPITMCVTIM-LBPRGKRZSA-N -1 0 363.364 4.452 20 30 FIEDRM CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 ZINC000102115998 1085642937 /nfs/dbraw/zinc/64/29/37/1085642937.db2.gz UQQJFNQMBJHIEK-ZFWWWQNUSA-N -1 0 372.432 4.077 20 30 FIEDRM N#CC(=C([O-])c1c[nH]c2cc([N+](=O)[O-])ccc21)c1nc2ccccc2s1 ZINC000048823423 1085705363 /nfs/dbraw/zinc/70/53/63/1085705363.db2.gz BRKRJBJMNRYTGN-GFCCVEGCSA-N -1 0 362.370 4.176 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cnn(-c3ccc(F)cc3)c2)s1 ZINC000647264671 1085856973 /nfs/dbraw/zinc/85/69/73/1085856973.db2.gz LPYOEHCCHWIFSE-OAHLLOKOSA-N -1 0 368.437 4.255 20 30 FIEDRM CC(C)(C)c1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cn1 ZINC000685143327 1086724143 /nfs/dbraw/zinc/72/41/43/1086724143.db2.gz YNHORTZUDCOMNC-LBPRGKRZSA-N -1 0 369.375 4.009 20 30 FIEDRM Cc1ccc(/C=C(/C(=O)C(=O)[O-])c2ccc3ccccc3n2)cc1Cl ZINC000588596072 1087280772 /nfs/dbraw/zinc/28/07/72/1087280772.db2.gz BKSFIOQGMZLBSA-XNTDXEJSSA-N -1 0 351.789 4.391 20 30 FIEDRM N#Cc1ccc([O-])c(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)c1 ZINC000176827967 1087283043 /nfs/dbraw/zinc/28/30/43/1087283043.db2.gz KMTRBUBKFYZBKX-UHFFFAOYSA-N -1 0 367.792 4.144 20 30 FIEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccccc1C(F)(F)F ZINC000176582148 1088004569 /nfs/dbraw/zinc/00/45/69/1088004569.db2.gz YSSGUISPGMDHQD-UHFFFAOYSA-N -1 0 360.744 4.031 20 30 FIEDRM CCCCCc1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)n[nH]1 ZINC000659089239 1088045926 /nfs/dbraw/zinc/04/59/26/1088045926.db2.gz CCSSAXLJXZRIBG-CYBMUJFWSA-N -1 0 356.426 4.381 20 30 FIEDRM Cc1cn2cc(C([O-])=C(C#N)c3nc4cc(Cl)ccc4s3)sc2n1 ZINC000505427106 1088712156 /nfs/dbraw/zinc/71/21/56/1088712156.db2.gz DTXPGECYLSVBAC-SNVBAGLBSA-N -1 0 372.862 4.457 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)sc2nccn12 ZINC000505429265 1088746014 /nfs/dbraw/zinc/74/60/14/1088746014.db2.gz RCEJQULLGHGVLA-JTQLQIEISA-N -1 0 372.862 4.457 20 30 FIEDRM CCCCOc1cc(/C=C\c2nc(C(=O)[O-])ccc2C#N)ccc1OC ZINC000505480657 1088955906 /nfs/dbraw/zinc/95/59/06/1088955906.db2.gz PGPAJTMKOARRHD-YVMONPNESA-N -1 0 352.390 4.009 20 30 FIEDRM C[C@@H](Oc1cccc(/C=C\C(=O)c2ccccc2OC(F)F)c1)C(=O)[O-] ZINC000728695031 1089235049 /nfs/dbraw/zinc/23/50/49/1089235049.db2.gz QAJMECCRJFWNFB-ZWLSGLHFSA-N -1 0 362.328 4.036 20 30 FIEDRM Cc1nc(-c2ccccc2)sc1[N-]S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000435727446 1089900732 /nfs/dbraw/zinc/90/07/32/1089900732.db2.gz XWBFFKPMVITFOS-UHFFFAOYSA-N -1 0 369.471 4.099 20 30 FIEDRM Cc1cc(S(=O)(=O)[N-]c2cnn(CCC(C)C)c2C(C)C)ccc1C#N ZINC000435717654 1089906794 /nfs/dbraw/zinc/90/67/94/1089906794.db2.gz PRRFZRUYYREVJZ-UHFFFAOYSA-N -1 0 374.510 4.034 20 30 FIEDRM Cc1cc(Nc2c(C#N)cnn2-c2ccc(Cl)cc2)ccc1C(=O)[O-] ZINC001211652700 1090563356 /nfs/dbraw/zinc/56/33/56/1090563356.db2.gz LPOZURKGXMBXPE-UHFFFAOYSA-N -1 0 352.781 4.148 20 30 FIEDRM N#Cc1cccc(Oc2ccc(NC(=O)NCCCCCC(=O)[O-])cc2)c1 ZINC000417752730 1090972189 /nfs/dbraw/zinc/97/21/89/1090972189.db2.gz NFFRAKPAMIPXJU-UHFFFAOYSA-N -1 0 367.405 4.117 20 30 FIEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1ccc(C#N)c(Cl)c1 ZINC000123737461 1091208174 /nfs/dbraw/zinc/20/81/74/1091208174.db2.gz WKJMHMXLWKMHME-OAHLLOKOSA-N -1 0 361.788 4.207 20 30 FIEDRM C=CCOc1cccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000511679938 1091531152 /nfs/dbraw/zinc/53/11/52/1091531152.db2.gz GDJUFECAGCXJFK-UHFFFAOYSA-N -1 0 364.275 4.421 20 30 FIEDRM N#C[C@]1(C(=O)Nc2cc(Br)cc(Cl)c2[O-])CC12CCCC2 ZINC000590687370 1091633775 /nfs/dbraw/zinc/63/37/75/1091633775.db2.gz HKJPENNIAXIMBA-HNNXBMFYSA-N -1 0 369.646 4.221 20 30 FIEDRM Cc1ccc(C(=O)Nc2cc(Br)cc(Cl)c2[O-])cc1C#N ZINC000799716811 1092451888 /nfs/dbraw/zinc/45/18/88/1092451888.db2.gz YPOYKMCGGWHDPR-UHFFFAOYSA-N -1 0 365.614 4.241 20 30 FIEDRM CCn1ncc2cc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)c(C)nc21 ZINC000442536964 1092665418 /nfs/dbraw/zinc/66/54/18/1092665418.db2.gz BPHJZXSFWZOSKQ-AWEZNQCLSA-N -1 0 367.478 4.004 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)c(C(F)(F)F)c1 ZINC000442850808 1092793795 /nfs/dbraw/zinc/79/37/95/1092793795.db2.gz PRPNCKRQKFOMDT-UHFFFAOYSA-N -1 0 366.320 4.124 20 30 FIEDRM CCOc1c(Cl)cc(NC(=O)c2ccc(C#N)c([O-])c2)cc1Cl ZINC000443124376 1092954418 /nfs/dbraw/zinc/95/44/18/1092954418.db2.gz RYUXEZUKFVRLFO-UHFFFAOYSA-N -1 0 351.189 4.222 20 30 FIEDRM C=CCC[C@H](NC(=O)Nc1ccc(C)c(Oc2cc(C)ccn2)c1)C(=O)[O-] ZINC000521977059 1093012094 /nfs/dbraw/zinc/01/20/94/1093012094.db2.gz WDWNQBSTVJLGED-INIZCTEOSA-N -1 0 369.421 4.032 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc(-c3ccc(C)cc3)cs2)nnn1C(C)C ZINC000429682085 1093300374 /nfs/dbraw/zinc/30/03/74/1093300374.db2.gz MNIPCXJYQARKDO-OAHLLOKOSA-N -1 0 365.462 4.089 20 30 FIEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)ccc1C#N ZINC000327078163 1093349257 /nfs/dbraw/zinc/34/92/57/1093349257.db2.gz FQMNJZORTBGRQK-UHFFFAOYSA-N -1 0 374.771 4.340 20 30 FIEDRM CCc1nc(C)c(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)s1 ZINC000512975244 1093621577 /nfs/dbraw/zinc/62/15/77/1093621577.db2.gz KCPRYGKQOTUVCY-LBPRGKRZSA-N -1 0 354.460 4.023 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2cc(-c3ccc(F)cc3)[nH]n2)n1 ZINC000474441536 1093787681 /nfs/dbraw/zinc/78/76/81/1093787681.db2.gz OJVZOBVCXZIVBH-CYBMUJFWSA-N -1 0 354.410 4.286 20 30 FIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cccc4c3OCO4)n2)cc1 ZINC000614385877 1093802099 /nfs/dbraw/zinc/80/20/99/1093802099.db2.gz NWDXDLVJGAXCLE-OAHLLOKOSA-N -1 0 362.410 4.337 20 30 FIEDRM COc1ccc(-c2nc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)cs2)cc1 ZINC000041495917 1094620629 /nfs/dbraw/zinc/62/06/29/1094620629.db2.gz UHJIUJWBFNKEHV-AWEZNQCLSA-N -1 0 374.425 4.185 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cc3cc(Br)ccc3o2)n1 ZINC000041515332 1094638961 /nfs/dbraw/zinc/63/89/61/1094638961.db2.gz TYWYJAOQCWIXSA-LLVKDONJSA-N -1 0 361.220 4.450 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2C(=O)c2ccc(F)cc2)n1 ZINC000041516228 1094639457 /nfs/dbraw/zinc/63/94/57/1094639457.db2.gz SKSVDUIJUAWSKR-KRWDZBQOSA-N -1 0 364.401 4.312 20 30 FIEDRM COc1ccc(C(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1CC(=O)[O-] ZINC000007353213 1094904153 /nfs/dbraw/zinc/90/41/53/1094904153.db2.gz CGJXNWPBRHPWCX-FNORWQNLSA-N -1 0 364.319 4.237 20 30 FIEDRM O=C(N=c1cn[n-]s1)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000330240619 1095431513 /nfs/dbraw/zinc/43/15/13/1095431513.db2.gz FJGXXXGNJYQEOK-LBPRGKRZSA-N -1 0 356.373 4.330 20 30 FIEDRM N#Cc1ccc([O-])c(NC(=O)c2cccc3[nH]c(-c4cccs4)nc32)c1 ZINC000760018834 1096413928 /nfs/dbraw/zinc/41/39/28/1096413928.db2.gz JIHRBFGCRDABFH-UHFFFAOYSA-N -1 0 360.398 4.121 20 30 FIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cnn4c3CCCC4)n2)cc1 ZINC000533545902 1099156752 /nfs/dbraw/zinc/15/67/52/1099156752.db2.gz FZWKZCDCFPRFKQ-HNNXBMFYSA-N -1 0 362.458 4.141 20 30 FIEDRM C=CCc1cc(/C=C/c2nc3ccc(C(=O)[O-])cc3o2)cc(OC)c1O ZINC000436781832 1099295559 /nfs/dbraw/zinc/29/55/59/1099295559.db2.gz GDVCQEQEMJLWKO-VMPITWQZSA-N -1 0 351.358 4.139 20 30 FIEDRM N#CC1(F)CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])CC1 ZINC000436835978 1099345060 /nfs/dbraw/zinc/34/50/60/1099345060.db2.gz BHCYVUVHTOMVFC-UHFFFAOYSA-N -1 0 358.800 4.180 20 30 FIEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436936184 1099449204 /nfs/dbraw/zinc/44/92/04/1099449204.db2.gz YPWOEUJNLYIMJM-PBHICJAKSA-N -1 0 358.800 4.097 20 30 FIEDRM CCc1noc(C)c1C([O-])=C(C#N)c1nc(-c2ccc(OC)cc2)cs1 ZINC000516714157 1099750466 /nfs/dbraw/zinc/75/04/66/1099750466.db2.gz RFQGWMGJDNGGHT-CQSZACIVSA-N -1 0 367.430 4.168 20 30 FIEDRM Cc1cccc(S(=O)(=O)[N-]C(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000078264406 1099784716 /nfs/dbraw/zinc/78/47/16/1099784716.db2.gz XLHYBPUZHZRLOY-UHFFFAOYSA-N -1 0 358.246 4.190 20 30 FIEDRM Cc1ccc(-c2ncccc2[N-]S(=O)(=O)c2ccc(C#N)cc2C)s1 ZINC000437657722 1100073572 /nfs/dbraw/zinc/07/35/72/1100073572.db2.gz ROAZZUSJPGSOHM-UHFFFAOYSA-N -1 0 369.471 4.099 20 30 FIEDRM N#CC(=C([O-])c1cc(F)cc([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 ZINC000517570896 1100506283 /nfs/dbraw/zinc/50/62/83/1100506283.db2.gz YNYMPLVXFZPCFR-HNNXBMFYSA-N -1 0 367.361 4.347 20 30 FIEDRM Cc1cccc(-c2cncc(C([O-])=C(C#N)c3nc4[nH]ccc(C)c-4n3)c2)c1 ZINC000426184980 1100954086 /nfs/dbraw/zinc/95/40/86/1100954086.db2.gz WMJBEPPKXXWOQS-SFHVURJKSA-N -1 0 367.412 4.127 20 30 FIEDRM CC(C)S(=O)(=O)[N-]C(=O)CCCc1ccc2c(c1)-c1ccccc1C2 ZINC000050206849 1101499113 /nfs/dbraw/zinc/49/91/13/1101499113.db2.gz MQPPCEGZCHYCSQ-UHFFFAOYSA-N -1 0 357.475 4.275 20 30 FIEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(Oc2ccccc2)cc1 ZINC000126616972 1101527900 /nfs/dbraw/zinc/52/79/00/1101527900.db2.gz SULOYYQZYAHEQH-NRFANRHFSA-N -1 0 370.408 4.118 20 30 FIEDRM O=C([O-])c1ccc(/C=C\C(=O)c2c(Cl)nc3ccccn32)c(Cl)c1 ZINC000783710317 1101547335 /nfs/dbraw/zinc/54/73/35/1101547335.db2.gz FILSYYHKUMGWMA-SREVYHEPSA-N -1 0 361.184 4.235 20 30 FIEDRM N#Cc1ccc(OC(F)F)c([N-]S(=O)(=O)c2cccc3ccccc32)c1 ZINC000439573254 1101576780 /nfs/dbraw/zinc/57/67/80/1101576780.db2.gz SPSRPWBKOJXWKT-UHFFFAOYSA-N -1 0 374.368 4.114 20 30 FIEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cccc(Oc2ccccc2)c1 ZINC000126626676 1101858141 /nfs/dbraw/zinc/85/81/41/1101858141.db2.gz LHNDOXFAMIJZKV-NRFANRHFSA-N -1 0 370.408 4.118 20 30 FIEDRM C[C@H](/N=C/c1cc(Br)cc(Br)c1[O-])c1ccc[nH]1 ZINC000760229068 1101888285 /nfs/dbraw/zinc/88/82/85/1101888285.db2.gz OERHEONYNRRQEK-TXQWPAICSA-N -1 0 372.060 4.425 20 30 FIEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1csc2ccccc21 ZINC000506728607 1101924702 /nfs/dbraw/zinc/92/47/02/1101924702.db2.gz XUVILVVGVLVVOV-UHFFFAOYSA-N -1 0 372.471 4.361 20 30 FIEDRM CCSc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000475820032 1101957899 /nfs/dbraw/zinc/95/78/99/1101957899.db2.gz TWEAWUOGCLYAHR-UHFFFAOYSA-N -1 0 366.895 4.319 20 30 FIEDRM C[S@@](=O)c1ccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cc1 ZINC000051533452 1102148500 /nfs/dbraw/zinc/14/85/00/1102148500.db2.gz PQVMHPRDGGQFFZ-CPJLOUKISA-N -1 0 366.467 4.038 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(C(F)(F)F)c2)s1 ZINC000388775903 1102305421 /nfs/dbraw/zinc/30/54/21/1102305421.db2.gz VGXKULZAMSUAIT-UHFFFAOYSA-N -1 0 366.773 4.093 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cc(C(C)C)n(-c3ccccc3)n2)n1 ZINC000121863922 1102463860 /nfs/dbraw/zinc/46/38/60/1102463860.db2.gz HRMIQWVUCCNAIQ-OAHLLOKOSA-N -1 0 350.447 4.251 20 30 FIEDRM COC(=O)c1cc(C)cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000459343588 1102867606 /nfs/dbraw/zinc/86/76/06/1102867606.db2.gz GHRWFHWGKMYWMH-CQSZACIVSA-N -1 0 356.447 4.026 20 30 FIEDRM Cc1cc(C(C#N)=C([O-])c2csc(-c3ccccc3Cl)n2)nc(C)n1 ZINC000067601371 1102995985 /nfs/dbraw/zinc/99/59/85/1102995985.db2.gz ZGLOPLHRFHWFEX-CYBMUJFWSA-N -1 0 368.849 4.360 20 30 FIEDRM CCS[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)C(C)C ZINC000067600198 1102996704 /nfs/dbraw/zinc/99/67/04/1102996704.db2.gz JJDJSZUUTDRMLR-GFCCVEGCSA-N -1 0 369.430 4.128 20 30 FIEDRM N#CCOc1cccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)[O-])c1 ZINC000730151605 1103153411 /nfs/dbraw/zinc/15/34/11/1103153411.db2.gz OFBUSHGRYZNDDV-QINSGFPZSA-N -1 0 356.381 4.322 20 30 FIEDRM N#CC(=C([O-])c1cc(Cc2ccccc2)[nH]n1)c1nc2ccccc2s1 ZINC000551508913 1103296483 /nfs/dbraw/zinc/29/64/83/1103296483.db2.gz MWJWRULQJUQQIL-OAHLLOKOSA-N -1 0 358.426 4.100 20 30 FIEDRM N#CC(=C([O-])c1csc(C(F)(F)F)n1)c1ccc(C(F)(F)F)cn1 ZINC000551770623 1103609356 /nfs/dbraw/zinc/60/93/56/1103609356.db2.gz DWGYIROPTVGGIV-SSDOTTSWSA-N -1 0 365.258 4.066 20 30 FIEDRM N#Cc1ccccc1COc1cccc(/C=C/c2ncc(C(=O)[O-])s2)c1 ZINC000520189467 1104160247 /nfs/dbraw/zinc/16/02/47/1104160247.db2.gz SXVKZAANXVNWPP-CMDGGOBGSA-N -1 0 362.410 4.462 20 30 FIEDRM CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000331245593 1104711652 /nfs/dbraw/zinc/71/16/52/1104711652.db2.gz LWAYINGYIDPNKQ-ZIAGYGMSSA-N -1 0 359.388 4.488 20 30 FIEDRM N#CC(=C([O-])c1ccc(Br)c(F)c1)c1nc2ccccc2o1 ZINC000065652469 1104889887 /nfs/dbraw/zinc/88/98/87/1104889887.db2.gz GRGDPGUGJLSNBB-SNVBAGLBSA-N -1 0 359.154 4.219 20 30 FIEDRM C=C[C@H](CC(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-])c1ccccc1 ZINC000190667070 1104985369 /nfs/dbraw/zinc/98/53/69/1104985369.db2.gz ZIFPFJSMSSPBPM-PKOBYXMFSA-N -1 0 351.446 4.096 20 30 FIEDRM N#CC(=C([O-])c1cn2ccnc2s1)c1nc2cc(Cl)ccc2s1 ZINC000190770645 1105137124 /nfs/dbraw/zinc/13/71/24/1105137124.db2.gz FHGJZJGCKBGSJC-SECBINFHSA-N -1 0 358.835 4.149 20 30 FIEDRM C=CCCCS(=O)(=O)[N-]c1nc(-c2ncccc2Cl)c(CC)s1 ZINC000451081682 1106919681 /nfs/dbraw/zinc/91/96/81/1106919681.db2.gz SQAHMFDFTWILCY-UHFFFAOYSA-N -1 0 371.915 4.129 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cccc(C(F)(F)F)n2)s1 ZINC000453785139 1108736742 /nfs/dbraw/zinc/73/67/42/1108736742.db2.gz ZJAWUFWZJJGFJH-SECBINFHSA-N -1 0 353.369 4.344 20 30 FIEDRM Cc1oc(-c2ccccc2)nc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1 ZINC000524033076 1108764411 /nfs/dbraw/zinc/76/44/11/1108764411.db2.gz BQELZWONOFTUFR-OAHLLOKOSA-N -1 0 356.385 4.325 20 30 FIEDRM Cc1cc(CN=c2[n-]nc(SCc3ccccc3)s2)ccc1C#N ZINC000447966418 1109682774 /nfs/dbraw/zinc/68/27/74/1109682774.db2.gz SBIXSJVGTRWCTK-UHFFFAOYSA-N -1 0 352.488 4.045 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2cc(OC(F)F)ccc2F)n1 ZINC000528965500 1110163919 /nfs/dbraw/zinc/16/39/19/1110163919.db2.gz CRQNGIMMJPPVIG-NSHDSACASA-N -1 0 354.353 4.497 20 30 FIEDRM C=CCN(Cc1cccs1)C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000478494042 1111793263 /nfs/dbraw/zinc/79/32/63/1111793263.db2.gz QRSJMMKTKQDORP-UHFFFAOYSA-N -1 0 373.865 4.121 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cnn1CCC(C)C ZINC000160068868 1113288158 /nfs/dbraw/zinc/28/81/58/1113288158.db2.gz XKVBQTZHEGQCJT-CQSZACIVSA-N -1 0 364.371 4.142 20 30 FIEDRM CCCOc1nc(C)ccc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000482587715 1113303656 /nfs/dbraw/zinc/30/36/56/1113303656.db2.gz XBYVOQNKGDMWIZ-CQSZACIVSA-N -1 0 363.339 4.083 20 30 FIEDRM Cc1cc(C(=O)[C@H](C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)oc1C ZINC000128761181 1113401043 /nfs/dbraw/zinc/40/10/43/1113401043.db2.gz YETGNJGOOOMZGY-ZDUSSCGKSA-N -1 0 351.189 4.164 20 30 FIEDRM N#CC(=C([O-])c1ncsc1-c1ccccc1)c1cnc2ccccc2n1 ZINC000483208229 1113465713 /nfs/dbraw/zinc/46/57/13/1113465713.db2.gz HMEPCFISMWLGBD-AWEZNQCLSA-N -1 0 356.410 4.243 20 30 FIEDRM COc1ccc(-c2n[nH]cc2C([O-])=C(C#N)c2nccc3ccccc32)cc1 ZINC000483214217 1113466786 /nfs/dbraw/zinc/46/67/86/1113466786.db2.gz XCZUVIWCPODGLV-GOSISDBHSA-N -1 0 368.396 4.124 20 30 FIEDRM Cc1cc(F)ccc1-n1ccc(C([O-])=C(C#N)c2nccc3ccccc32)n1 ZINC000483232169 1113472218 /nfs/dbraw/zinc/47/22/18/1113472218.db2.gz GLRBREHUHVWZAC-GOSISDBHSA-N -1 0 370.387 4.358 20 30 FIEDRM C=CCOc1ccccc1/C=C/c1nc(C(=O)[O-])c(Br)s1 ZINC000486011416 1113485658 /nfs/dbraw/zinc/48/56/58/1113485658.db2.gz YRERMFSOXWOGFA-BQYQJAHWSA-N -1 0 366.236 4.339 20 30 FIEDRM Cc1sc(/C=C/c2cn(CCC#N)nc2-c2ccccc2)nc1C(=O)[O-] ZINC000486173126 1113517760 /nfs/dbraw/zinc/51/77/60/1113517760.db2.gz SYHRAQCARWATHZ-CMDGGOBGSA-N -1 0 364.430 4.097 20 30 FIEDRM C=CCSc1ccccc1C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000486204321 1113525471 /nfs/dbraw/zinc/52/54/71/1113525471.db2.gz PBYVMIPBNHYEMT-UHFFFAOYSA-N -1 0 359.501 4.219 20 30 FIEDRM C=CCOc1ccc(C(=O)NCc2c(C(=O)[O-])sc3ccsc32)cc1 ZINC000486368113 1113555062 /nfs/dbraw/zinc/55/50/62/1113555062.db2.gz HBJXPIVSUSLWLR-UHFFFAOYSA-N -1 0 373.455 4.156 20 30 FIEDRM Cc1cc(-c2ncccc2[N-]S(=O)(=O)c2cccc(C)c2C#N)cs1 ZINC000437670162 1113698918 /nfs/dbraw/zinc/69/89/18/1113698918.db2.gz CUAQJSBGDLXYCD-UHFFFAOYSA-N -1 0 369.471 4.099 20 30 FIEDRM COc1cc(C)cnc1C([O-])=C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000488192938 1113872095 /nfs/dbraw/zinc/87/20/95/1113872095.db2.gz MCGLRHSFHMHFAN-HNNXBMFYSA-N -1 0 363.442 4.321 20 30 FIEDRM CC[C@@H](C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1)c1ccccc1 ZINC000058040595 1115076584 /nfs/dbraw/zinc/07/65/84/1115076584.db2.gz CHDKBWHJDJHTFZ-LJQANCHMSA-N -1 0 355.459 4.454 20 30 FIEDRM N#Cc1cccc(Oc2ccc(NC(=O)CC3(CC(=O)[O-])CCC3)cc2)c1 ZINC000591530837 1115098214 /nfs/dbraw/zinc/09/82/14/1115098214.db2.gz CAYGGRPJXNOOOA-UHFFFAOYSA-N -1 0 364.401 4.324 20 30 FIEDRM C[C@@H]1CCc2sc(NC(=O)CC3(CC(=O)[O-])CCC3)c(C#N)c2[C@@H]1C ZINC000591531462 1115098304 /nfs/dbraw/zinc/09/83/04/1115098304.db2.gz VLPLOXMXPMOFJH-VXGBXAGGSA-N -1 0 360.479 4.279 20 30 FIEDRM COc1cccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000058186272 1115126244 /nfs/dbraw/zinc/12/62/44/1115126244.db2.gz KEPQRJVGNXBDBT-UHFFFAOYSA-N -1 0 367.426 4.056 20 30 FIEDRM N#CCn1c(C([O-])=C(C#N)c2nc3ccccc3s2)cc2ccccc21 ZINC000591862598 1115166027 /nfs/dbraw/zinc/16/60/27/1115166027.db2.gz XRDMOQGCTGEPAM-CQSZACIVSA-N -1 0 356.410 4.265 20 30 FIEDRM N#CC(=C([O-])c1ccccc1-n1cccn1)c1nc2cc(F)ccc2s1 ZINC000592974383 1115272857 /nfs/dbraw/zinc/27/28/57/1115272857.db2.gz RMUJLROXNXXONW-CQSZACIVSA-N -1 0 362.389 4.111 20 30 FIEDRM CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593191717 1115304946 /nfs/dbraw/zinc/30/49/46/1115304946.db2.gz FALGEZYNZYZYDR-UHFFFAOYSA-N -1 0 358.463 4.077 20 30 FIEDRM Cc1ccc(F)cc1-c1n[n-]c(=NCc2ccc(C(C)(C)C#N)cc2)o1 ZINC000593943911 1115355036 /nfs/dbraw/zinc/35/50/36/1115355036.db2.gz FKUYLJVQKONGJJ-UHFFFAOYSA-N -1 0 350.397 4.019 20 30 FIEDRM Cc1ccc2c(CC(=O)[N-]S(=O)(=O)c3cc(C)ccc3C)coc2c1 ZINC000046929356 1115549249 /nfs/dbraw/zinc/54/92/49/1115549249.db2.gz ZKQPVEJVXNNPRU-UHFFFAOYSA-N -1 0 357.431 4.246 20 30 FIEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)CCSc2ccc(F)cc2)c1 ZINC000046929365 1115549465 /nfs/dbraw/zinc/54/94/65/1115549465.db2.gz XAYJIYLKFOFURP-UHFFFAOYSA-N -1 0 367.467 4.270 20 30 FIEDRM O=C([O-])CCOc1cccc(/C=C/C(=O)c2ccccc2C(F)(F)F)c1 ZINC000060212458 1115598387 /nfs/dbraw/zinc/59/83/87/1115598387.db2.gz ZHRIYDHQULMKHS-CMDGGOBGSA-N -1 0 364.319 4.455 20 30 FIEDRM N#CC(=C([O-])c1cccnc1SC(F)(F)F)c1nc2ccccc2o1 ZINC000172022197 1115906163 /nfs/dbraw/zinc/90/61/63/1115906163.db2.gz RUQMUOXOJWMPJT-JTQLQIEISA-N -1 0 363.320 4.325 20 30 FIEDRM N#C[C@@H](C(=O)c1cccc(OCC(F)(F)F)n1)c1ccc2ccccc2n1 ZINC000607010041 1115989604 /nfs/dbraw/zinc/98/96/04/1115989604.db2.gz ZKGYCEARDFSVMW-CYBMUJFWSA-N -1 0 371.318 4.061 20 30 FIEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C/C1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000608846061 1116133949 /nfs/dbraw/zinc/13/39/49/1116133949.db2.gz UGBRHVYKYAQYOG-HNQUOIGGSA-N -1 0 373.195 4.447 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccc(C#N)cc3)c2)o1 ZINC000540210757 1117945655 /nfs/dbraw/zinc/94/56/55/1117945655.db2.gz CDNQQQQRRWHPEE-UHFFFAOYSA-N -1 0 354.387 4.053 20 30 FIEDRM C=C(C)COc1cc(CN=c2[n-]nc(-c3ccc(C)s3)o2)ccc1OC ZINC000463252101 1118062206 /nfs/dbraw/zinc/06/22/06/1118062206.db2.gz YJMGABDJRUPEJV-UHFFFAOYSA-N -1 0 371.462 4.104 20 30 FIEDRM CCc1nc2ccc(Cl)cn2c1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000464182427 1118474782 /nfs/dbraw/zinc/47/47/82/1118474782.db2.gz IEYFYZKOPBPLNV-LBPRGKRZSA-N -1 0 364.792 4.181 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)oc2c1C(=O)CCC2 ZINC000464411131 1118547403 /nfs/dbraw/zinc/54/74/03/1118547403.db2.gz KQVAAKBUFYDKON-LLVKDONJSA-N -1 0 362.307 4.011 20 30 FIEDRM CCO[C@@H](C)c1ncc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)s1 ZINC000464429594 1118554676 /nfs/dbraw/zinc/55/46/76/1118554676.db2.gz WWEJYTOFNLDDQU-GXSJLCMTSA-N -1 0 369.368 4.144 20 30 FIEDRM CCc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cnn1C(C)(C)C ZINC000464420066 1118558335 /nfs/dbraw/zinc/55/83/35/1118558335.db2.gz XOVJTCPHSZKSSL-GFCCVEGCSA-N -1 0 364.371 4.104 20 30 FIEDRM N#CC(=C([O-])c1ncccc1C(F)(F)F)c1cc(C(F)(F)F)ccn1 ZINC000464465734 1118571958 /nfs/dbraw/zinc/57/19/58/1118571958.db2.gz VILFPVLZSVRNJC-SECBINFHSA-N -1 0 359.229 4.004 20 30 FIEDRM C[C@H](Oc1cccc(C(=O)/C=C/c2nc3ccc(F)cc3s2)c1)C(=O)[O-] ZINC000761475309 1119058192 /nfs/dbraw/zinc/05/81/92/1119058192.db2.gz CPROJSWMEGMQIM-AEZGRPFRSA-N -1 0 371.389 4.183 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2ccc(O[C@@H](C)c3ccccc3)nc2)n1 ZINC000613286810 1119118622 /nfs/dbraw/zinc/11/86/22/1119118622.db2.gz UZTNJJXKXXBHTJ-WMLDXEAASA-N -1 0 363.442 4.477 20 30 FIEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccc(Oc2ccccc2)o1 ZINC000176517242 1119280234 /nfs/dbraw/zinc/28/02/34/1119280234.db2.gz JCDXBBCCFILOGY-OAHLLOKOSA-N -1 0 357.369 4.449 20 30 FIEDRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccccc1SC[C@H](C)C#N ZINC000186988986 1119760522 /nfs/dbraw/zinc/76/05/22/1119760522.db2.gz VHVLIKJCBRWVGD-GFCCVEGCSA-N -1 0 364.467 4.187 20 30 FIEDRM Cc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000187522743 1119787898 /nfs/dbraw/zinc/78/78/98/1119787898.db2.gz HUBMPZDHWJATLS-OAHLLOKOSA-N -1 0 350.447 4.251 20 30 FIEDRM CCc1nc(-c2ccc(C([O-])=C(C#N)c3nc(C(C)C)cs3)cc2)n[nH]1 ZINC000153019063 1119833134 /nfs/dbraw/zinc/83/31/34/1119833134.db2.gz MHCSHHYZAGVWCS-CQSZACIVSA-N -1 0 365.462 4.104 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H](C)c1c(F)cccc1F ZINC000153137169 1120020330 /nfs/dbraw/zinc/02/03/30/1120020330.db2.gz SLMUCEZYMHUJHE-FZMZJTMJSA-N -1 0 366.367 4.450 20 30 FIEDRM CCSc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000609218916 1120732875 /nfs/dbraw/zinc/73/28/75/1120732875.db2.gz KOSDCDSCVRHYOQ-UHFFFAOYSA-N -1 0 352.868 4.124 20 30 FIEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1cc2sc3ccccc3c2s1 ZINC000193355043 1120801154 /nfs/dbraw/zinc/80/11/54/1120801154.db2.gz YESSSBVZBOBPBS-GFCCVEGCSA-N -1 0 354.456 4.061 20 30 FIEDRM Cc1onc(-c2ccc(F)cc2)c1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000915100818 1120804581 /nfs/dbraw/zinc/80/45/81/1120804581.db2.gz GINRYPPGEBUJNH-HNNXBMFYSA-N -1 0 374.375 4.166 20 30 FIEDRM CCCOc1ccc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)cc1OC ZINC000915105840 1120814948 /nfs/dbraw/zinc/81/49/48/1120814948.db2.gz GZQSDQOBSFNNGR-POHAHGRESA-N -1 0 354.402 4.007 20 30 FIEDRM N#Cc1cc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)ccc1Cl ZINC000194106799 1121211996 /nfs/dbraw/zinc/21/19/96/1121211996.db2.gz ZZRPNARQIQWQRL-UHFFFAOYSA-N -1 0 360.744 4.031 20 30 FIEDRM Cc1ccc(CCC(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000075777900 1121315322 /nfs/dbraw/zinc/31/53/22/1121315322.db2.gz DIQPHYGCRFYNEN-UHFFFAOYSA-N -1 0 353.443 4.426 20 30 FIEDRM CC(=NNc1ccnc2cc(Cl)ccc21)c1ccc(CC(=O)[O-])cc1 ZINC000915935028 1121354726 /nfs/dbraw/zinc/35/47/26/1121354726.db2.gz QUINEXXUYANLOG-UHFFFAOYSA-N -1 0 353.809 4.351 20 30 FIEDRM CCCOc1ccc(C(=O)/C=C/c2ccc(OCCC(=O)[O-])cc2)cc1 ZINC000915984988 1121365898 /nfs/dbraw/zinc/36/58/98/1121365898.db2.gz DXEVLMIXHUCRBZ-LFYBBSHMSA-N -1 0 354.402 4.225 20 30 FIEDRM Cc1nn(-c2ccccc2)c(C)c1/C=C\C(=O)c1ccc(CC(=O)[O-])cc1 ZINC000915987854 1121367176 /nfs/dbraw/zinc/36/71/76/1121367176.db2.gz LUXLUYZBJSHVQM-SEYXRHQNSA-N -1 0 360.413 4.012 20 30 FIEDRM O=C([O-])c1cc(NN=Cc2ccc(Br)cc2F)ccc1Cl ZINC000916260134 1121454418 /nfs/dbraw/zinc/45/44/18/1121454418.db2.gz ZAUBUQLGHDVNEY-UHFFFAOYSA-N -1 0 371.593 4.386 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)-c1ccccc1C2 ZINC000916876258 1121906725 /nfs/dbraw/zinc/90/67/25/1121906725.db2.gz VRAZKBDHHBXUNP-NRFANRHFSA-N -1 0 360.457 4.277 20 30 FIEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cc2c(s1)CCCCCC2 ZINC000916887206 1121910216 /nfs/dbraw/zinc/91/02/16/1121910216.db2.gz SOAYFUFXEPARLG-QGZVFWFLSA-N -1 0 366.486 4.046 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC(C)C)c(C)n1-c1ccc(C(C)C)cc1 ZINC000916946664 1121958997 /nfs/dbraw/zinc/95/89/97/1121958997.db2.gz DSCDEDLRVNPCSS-FQEVSTJZSA-N -1 0 365.477 4.065 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(F)c3ccccc3c2)n1 ZINC000497415171 1122215473 /nfs/dbraw/zinc/21/54/73/1122215473.db2.gz GUVJLVHYLIVZTQ-AWEZNQCLSA-N -1 0 368.389 4.102 20 30 FIEDRM COc1ccc(C(=O)/C=C/c2cc(C(=O)[O-])cs2)cc1Br ZINC000765822591 1122220101 /nfs/dbraw/zinc/22/01/01/1122220101.db2.gz AVPLPOXHLATWBW-ONEGZZNKSA-N -1 0 367.220 4.114 20 30 FIEDRM Cc1nn(-c2ccccc2)c(C)c1C(=O)/C=C\c1cc(C(=O)[O-])cs1 ZINC000765828077 1122260910 /nfs/dbraw/zinc/26/09/10/1122260910.db2.gz ZVLRKXBREYHEDM-HJWRWDBZSA-N -1 0 352.415 4.145 20 30 FIEDRM CC(C)n1ncc(C([O-])=C(C#N)c2nc3ccccc3s2)c1C1CC1 ZINC000498696925 1122954972 /nfs/dbraw/zinc/95/49/72/1122954972.db2.gz RWFKWCAOJLIBIU-CYBMUJFWSA-N -1 0 350.447 4.441 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2cnc(-c3ccccn3)s2)n1 ZINC000131168338 1122995220 /nfs/dbraw/zinc/99/52/20/1122995220.db2.gz HXXNIQVHAXVWPM-NSHDSACASA-N -1 0 354.460 4.275 20 30 FIEDRM Cc1cc(Br)c2c(c1)C(=O)/C(=C/c1ccc(C(=O)[O-])cc1)CO2 ZINC000920067010 1123326916 /nfs/dbraw/zinc/32/69/16/1123326916.db2.gz ZZKHZIGRLFNFDE-MDWZMJQESA-N -1 0 373.202 4.114 20 30 FIEDRM Cc1ccc(OCc2nc(C=NNc3cccc(C(=O)[O-])c3)cs2)cc1 ZINC000920357124 1123446408 /nfs/dbraw/zinc/44/64/08/1123446408.db2.gz ROYFZCJNPWLBSX-UHFFFAOYSA-N -1 0 367.430 4.175 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H](C)Cc1cccc(F)c1 ZINC000921132972 1123568618 /nfs/dbraw/zinc/56/86/18/1123568618.db2.gz KMSDBNYGUDEZLQ-ACJLOTCBSA-N -1 0 362.404 4.386 20 30 FIEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000064479041 1123786829 /nfs/dbraw/zinc/78/68/29/1123786829.db2.gz UUEBTBXLNSVPRC-UHFFFAOYSA-N -1 0 364.426 4.035 20 30 FIEDRM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000609984726 1123907203 /nfs/dbraw/zinc/90/72/03/1123907203.db2.gz ZNIYIBHARKALBB-UHFFFAOYSA-N -1 0 374.771 4.340 20 30 FIEDRM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000609984650 1123907355 /nfs/dbraw/zinc/90/73/55/1123907355.db2.gz UOPACJJUFRFKHC-UHFFFAOYSA-N -1 0 374.771 4.340 20 30 FIEDRM CCc1noc(C)c1C([O-])=C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000064715032 1123927598 /nfs/dbraw/zinc/92/75/98/1123927598.db2.gz CVKIWTVELQHEKL-JTQLQIEISA-N -1 0 373.384 4.437 20 30 FIEDRM COCc1nc(C)c(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)s1 ZINC000136833439 1123940335 /nfs/dbraw/zinc/94/03/35/1123940335.db2.gz OECIJEGFSKGPJW-CYBMUJFWSA-N -1 0 369.471 4.212 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccn(-c3ccccc3F)n2)n1 ZINC000080451599 1123966185 /nfs/dbraw/zinc/96/61/85/1123966185.db2.gz LEHNSYGGZUEBSQ-LBPRGKRZSA-N -1 0 354.410 4.081 20 30 FIEDRM CC(C)c1cc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)n[nH]1 ZINC000068349400 1124190020 /nfs/dbraw/zinc/19/00/20/1124190020.db2.gz PFXVXEPNFOUZJD-JTQLQIEISA-N -1 0 372.400 4.425 20 30 FIEDRM CCCc1cc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)n[nH]1 ZINC000068349134 1124190139 /nfs/dbraw/zinc/19/01/39/1124190139.db2.gz OOFDDCWIZVFGBN-NSHDSACASA-N -1 0 372.400 4.254 20 30 FIEDRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000069057747 1124480955 /nfs/dbraw/zinc/48/09/55/1124480955.db2.gz PRJTWTRRDPCFIQ-UHFFFAOYSA-N -1 0 352.390 4.180 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cc(C)n(-c3ccccc3Cl)n2)n1 ZINC000181097480 1124538382 /nfs/dbraw/zinc/53/83/82/1124538382.db2.gz BERYPZYBENSITF-GFCCVEGCSA-N -1 0 356.838 4.089 20 30 FIEDRM CC(C)(C)c1ncc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)s1 ZINC000119882431 206105243 /nfs/dbraw/zinc/10/52/43/206105243.db2.gz JMGWZYPXSMDKIS-SNVBAGLBSA-N -1 0 353.369 4.344 20 30 FIEDRM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(C#N)o3)ccc21 ZINC000568317455 568023848 /nfs/dbraw/zinc/02/38/48/568023848.db2.gz WDLAMVIAJUDQLL-UHFFFAOYSA-N -1 0 365.414 4.080 20 30 FIEDRM CSc1[n-]c(=O)c(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cc1C#N ZINC000031939889 568343675 /nfs/dbraw/zinc/34/36/75/568343675.db2.gz KATONPMQRXDHRW-HNNXBMFYSA-N -1 0 373.865 4.011 20 30 FIEDRM N#CC(=C([O-])c1cnn2ccccc12)c1nc2cc(Cl)ccc2s1 ZINC000604929799 568397919 /nfs/dbraw/zinc/39/79/19/568397919.db2.gz VTVISODGQNZOKF-NSHDSACASA-N -1 0 352.806 4.087 20 30 FIEDRM CC(C)(C)OC(=O)N[C@](C)(C(=O)[O-])c1ccc(-c2ccc(C#N)cc2)cc1 ZINC000863892712 939243609 /nfs/dbraw/zinc/24/36/09/939243609.db2.gz GOUSVGGOOGMERO-NRFANRHFSA-N -1 0 366.417 4.050 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(-c3cccs3)o2)n1 ZINC000543057448 1125576898 /nfs/dbraw/zinc/57/68/98/1125576898.db2.gz DIYKSHBNOSHXNQ-JTQLQIEISA-N -1 0 372.427 4.131 20 30 FIEDRM C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000183130330 1125754737 /nfs/dbraw/zinc/75/47/37/1125754737.db2.gz NTPJODBGUYLRJQ-AWEZNQCLSA-N -1 0 358.463 4.076 20 30 FIEDRM CCCCOc1ccc(F)c([N-]c2oncc2C#N)c1Br ZINC001211492171 1079793476 /nfs/dbraw/zinc/79/34/76/1079793476.db2.gz OLLLUGUMZDIAIQ-UHFFFAOYSA-N -1 0 354.179 4.370 20 30 FIEDRM CN(C)c1ncc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cc1Cl ZINC000654991824 1079822713 /nfs/dbraw/zinc/82/27/13/1079822713.db2.gz JXPCXPAOCBYJMW-LLVKDONJSA-N -1 0 362.886 4.045 20 30 FIEDRM COc1ccc(/C=C(\CC(=O)[O-])c2nc3ccccc3s2)cc1C#N ZINC000610218369 1080005731 /nfs/dbraw/zinc/00/57/31/1080005731.db2.gz GHFUWXYZLWIKFM-MDWZMJQESA-N -1 0 350.399 4.192 20 30 FIEDRM CCCOc1cccnc1C([O-])=C(C#N)c1nc2cc(F)ccc2s1 ZINC000683222750 1080029339 /nfs/dbraw/zinc/02/93/39/1080029339.db2.gz LWOXSGMTNCZYCY-GFCCVEGCSA-N -1 0 355.394 4.109 20 30 FIEDRM CCCCC(CC)N=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000748081394 1080115895 /nfs/dbraw/zinc/11/58/95/1080115895.db2.gz NEYURKBAETVVFJ-UHFFFAOYSA-N -1 0 366.512 4.312 20 30 FIEDRM C=CCCC(CC)N=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000748085954 1080281085 /nfs/dbraw/zinc/28/10/85/1080281085.db2.gz SLAQGDNZBMAKAB-UHFFFAOYSA-N -1 0 364.496 4.088 20 30 FIEDRM N#Cc1c2c(sc1NC(=O)c1cnc([C@@H]3CCCO3)s1)CCCCC2 ZINC000134606892 1080315573 /nfs/dbraw/zinc/31/55/73/1080315573.db2.gz GDVRJPJLOBPQCX-ZDUSSCGKSA-N -1 0 373.503 4.449 20 30 FIEDRM C[C@@H](/N=C\c1cc(Cl)cc(Cl)c1[O-])c1ccc2c(c1)CC(=O)N2C ZINC000728226082 1080578757 /nfs/dbraw/zinc/57/87/57/1080578757.db2.gz HJFAIRCVSGQSDB-INRAOFHCSA-N -1 0 363.244 4.398 20 30 FIEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)CCc2cccc(Cl)c2)cc1 ZINC000048452248 1081291729 /nfs/dbraw/zinc/29/17/29/1081291729.db2.gz AOJOEICGJXIWEZ-UHFFFAOYSA-N -1 0 367.854 4.017 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1coc(Br)c1 ZINC000121062347 1081335138 /nfs/dbraw/zinc/33/51/38/1081335138.db2.gz CQNLSZWTQLYYPM-LBPRGKRZSA-N -1 0 371.190 4.037 20 30 FIEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1cccc(OC(F)F)c1 ZINC000121101188 1081439583 /nfs/dbraw/zinc/43/95/83/1081439583.db2.gz SFJSNFLDGXLQSC-OAHLLOKOSA-N -1 0 368.339 4.283 20 30 FIEDRM CSc1ccc2c(c1)CC/C(=C\c1cccc(O[C@@H](C)C(=O)[O-])c1)C2=O ZINC000748148587 1081610052 /nfs/dbraw/zinc/61/00/52/1081610052.db2.gz UZFAYCVHNQPREM-RKPNYOAGSA-N -1 0 368.454 4.473 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)cc1C ZINC000050204687 1081921463 /nfs/dbraw/zinc/92/14/63/1081921463.db2.gz WWWXQRVIZUELKZ-IRXDYDNUSA-N -1 0 363.866 4.406 20 30 FIEDRM COc1cc(C(=O)N(C)C)ccc1N=Cc1cc(Cl)cc(Cl)c1[O-] ZINC000255205953 1081932691 /nfs/dbraw/zinc/93/26/91/1081932691.db2.gz MDQKQSKCPJDBJE-UHFFFAOYSA-N -1 0 367.232 4.160 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)nn1C1CCCCC1 ZINC000580707359 1082090412 /nfs/dbraw/zinc/09/04/12/1082090412.db2.gz MMFFAKPYVUYNJN-MRXNPFEDSA-N -1 0 359.433 4.130 20 30 FIEDRM C[C@@H]1CCN(c2cc(C([O-])=C(C#N)c3nc4ccccc4s3)ccn2)C1 ZINC000548134696 1082141403 /nfs/dbraw/zinc/14/14/03/1082141403.db2.gz MQJICEYFZWFAIY-HIFRSBDPSA-N -1 0 362.458 4.028 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cnn(-c3ccccc3)c2)s1 ZINC000430594898 1082544398 /nfs/dbraw/zinc/54/43/98/1082544398.db2.gz SLBADWAQKDWPFQ-HNNXBMFYSA-N -1 0 350.447 4.116 20 30 FIEDRM COc1nc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cc2ccccc21 ZINC000430612908 1082668737 /nfs/dbraw/zinc/66/87/37/1082668737.db2.gz UWCPBIRJVXEWPP-CQSZACIVSA-N -1 0 365.458 4.487 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cnn(Cc3ccccc3)c2)s1 ZINC000430641262 1082816958 /nfs/dbraw/zinc/81/69/58/1082816958.db2.gz LSOGATXFXRJXLQ-MRXNPFEDSA-N -1 0 364.474 4.175 20 30 FIEDRM COc1cc(/C=C\C(=O)c2ccc(Cl)s2)ccc1OCCC(=O)[O-] ZINC000588429769 1082920198 /nfs/dbraw/zinc/92/01/98/1082920198.db2.gz SBFQFBPBHQKYOA-RQOWECAXSA-N -1 0 366.822 4.160 20 30 FIEDRM COc1ccc(N=Cc2cc(Cl)cc(Cl)c2[O-])c(OC)c1OC ZINC000255741109 1083461425 /nfs/dbraw/zinc/46/14/25/1083461425.db2.gz MGHKKSYCVXZEMU-UHFFFAOYSA-N -1 0 356.205 4.475 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2cc(F)ccc2SCC(F)F)cc1[O-] ZINC000188464506 1083560769 /nfs/dbraw/zinc/56/07/69/1083560769.db2.gz SJDJDMXGGUKCEL-UHFFFAOYSA-N -1 0 352.337 4.012 20 30 FIEDRM Cc1cc(CSc2ccccc2C(=O)Nc2cc(C#N)ccc2[O-])on1 ZINC000179734141 1083612424 /nfs/dbraw/zinc/61/24/24/1083612424.db2.gz KJIHCNKPAVQOPI-UHFFFAOYSA-N -1 0 365.414 4.105 20 30 FIEDRM CCOc1ccc([C@@H](C)/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1OCC ZINC000022768523 1083648290 /nfs/dbraw/zinc/64/82/90/1083648290.db2.gz VQSWKWBOKITPAO-HMHKGCENSA-N -1 0 358.394 4.278 20 30 FIEDRM N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ncn(-c2ccccc2)n1 ZINC000092828703 1083764126 /nfs/dbraw/zinc/76/41/26/1083764126.db2.gz XZJYLYYYIAFCNQ-UHFFFAOYSA-N -1 0 371.425 4.120 20 30 FIEDRM CC(C)CCSCC(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000066003715 1083945339 /nfs/dbraw/zinc/94/53/39/1083945339.db2.gz KWLCPGMHTYKCHM-UHFFFAOYSA-N -1 0 369.430 4.130 20 30 FIEDRM CC(C)c1noc2ncc(C([O-])=C(C#N)c3ccc4ccccc4n3)cc21 ZINC000613290814 1084552641 /nfs/dbraw/zinc/55/26/41/1084552641.db2.gz MRJCUFGDXIKVEZ-MRXNPFEDSA-N -1 0 356.385 4.384 20 30 FIEDRM COc1ccc2c(c1)CCC[C@H]2CC(=O)[N-]S(=O)(=O)c1ccccc1C ZINC000066503780 1084565237 /nfs/dbraw/zinc/56/52/37/1084565237.db2.gz JTKWNQOGBAZLSQ-INIZCTEOSA-N -1 0 373.474 4.159 20 30 FIEDRM CCCn1nc(C)c(/C=C/C(=O)c2ccc(OCCCC(=O)[O-])cc2)c1C ZINC000178029362 1084591007 /nfs/dbraw/zinc/59/10/07/1084591007.db2.gz BBPDSFDDZXSOSD-VAWYXSNFSA-N -1 0 370.449 4.050 20 30 FIEDRM Cc1nn(C)c(Cl)c1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000120027686 1084811773 /nfs/dbraw/zinc/81/17/73/1084811773.db2.gz SDQBDGVSUUXTAP-SECBINFHSA-N -1 0 365.245 4.135 20 30 FIEDRM C=CCN(C(=O)Nc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000582397523 1084956967 /nfs/dbraw/zinc/95/69/67/1084956967.db2.gz HXZQAICNKWFJCL-QGZVFWFLSA-N -1 0 358.825 4.056 20 30 FIEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000046708822 1084980210 /nfs/dbraw/zinc/98/02/10/1084980210.db2.gz UQZLGOAMKXKQQF-UHFFFAOYSA-N -1 0 353.871 4.202 20 30 FIEDRM Cn1cc(C#N)cc1C([O-])=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000176097530 1085070078 /nfs/dbraw/zinc/07/00/78/1085070078.db2.gz NQRGFKZEFYFGEP-CQSZACIVSA-N -1 0 366.833 4.164 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)Cc1cccc(OC(C)C)c1 ZINC000124751927 1085181388 /nfs/dbraw/zinc/18/13/88/1085181388.db2.gz QJPCPMBUVHMJSY-LJQANCHMSA-N -1 0 374.440 4.398 20 30 FIEDRM C[S@@](=O)c1cccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)c1 ZINC000613760275 1085246977 /nfs/dbraw/zinc/24/69/77/1085246977.db2.gz OTBBSTPOPKQJIC-PUAOIOHZSA-N -1 0 366.467 4.038 20 30 FIEDRM N#CCC1CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])CC1 ZINC000611677800 1085323619 /nfs/dbraw/zinc/32/36/19/1085323619.db2.gz LDZBBCABVXQOLH-UHFFFAOYSA-N -1 0 354.837 4.478 20 30 FIEDRM Cc1ccc(-c2ncc(C([O-])=C(C#N)c3cc(C)nc(C)n3)s2)c(C)c1 ZINC000061068253 1085658057 /nfs/dbraw/zinc/65/80/57/1085658057.db2.gz WANZFPLPXUIKOR-INIZCTEOSA-N -1 0 362.458 4.324 20 30 FIEDRM COc1ccc(-c2ocnc2C([O-])=C(C#N)c2ccc3ccccc3n2)cc1 ZINC000685143092 1086723626 /nfs/dbraw/zinc/72/36/26/1086723626.db2.gz LZBTZPAXIATPFS-KRWDZBQOSA-N -1 0 369.380 4.388 20 30 FIEDRM N#CC(=C([O-])C=Cc1ccc2ccccc2n1)c1cnc2ccccc2n1 ZINC000588587832 1087180773 /nfs/dbraw/zinc/18/07/73/1087180773.db2.gz SKFHMPUWVYNWQF-WFTPILKQSA-N -1 0 350.381 4.068 20 30 FIEDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2SC[C@@H](C)C#N)sc1C ZINC000091017537 1087417253 /nfs/dbraw/zinc/41/72/53/1087417253.db2.gz AHLPNISOYKUHCU-NSHDSACASA-N -1 0 366.533 4.418 20 30 FIEDRM N#Cc1ccc(SCc2nc(=O)c3sccc3[n-]2)cc1C(F)(F)F ZINC000180391442 1087879612 /nfs/dbraw/zinc/87/96/12/1087879612.db2.gz QPZOGFNQYMWTTE-UHFFFAOYSA-N -1 0 367.377 4.167 20 30 FIEDRM Oc1ccc(C=Nc2ccc(Oc3ccc(Cl)cn3)cc2)c(O)c1O ZINC000255909212 1087910098 /nfs/dbraw/zinc/91/00/98/1087910098.db2.gz UQUPQBSZCUVWMM-UHFFFAOYSA-N -1 0 356.765 4.395 20 30 FIEDRM Cn1ncc(C2CC2)c1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000659049622 1087973360 /nfs/dbraw/zinc/97/33/60/1087973360.db2.gz ALGWLPJVKSCWPK-NSHDSACASA-N -1 0 356.838 4.051 20 30 FIEDRM CCCCCc1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)n[nH]1 ZINC000659064632 1087999486 /nfs/dbraw/zinc/99/94/86/1087999486.db2.gz OSCFHLXAZXJOMO-HNNXBMFYSA-N -1 0 365.462 4.151 20 30 FIEDRM CCCn1ccc2cc([N-]S(=O)(=O)c3cccc(Cl)c3C#N)ccc21 ZINC000505278905 1088314926 /nfs/dbraw/zinc/31/49/26/1088314926.db2.gz BFCZCRVEADTSLQ-UHFFFAOYSA-N -1 0 373.865 4.377 20 30 FIEDRM Cc1ccc(-c2nc(C([O-])=C(C#N)c3nc4ccccc4n3C)cs2)cc1 ZINC000122206154 1088465702 /nfs/dbraw/zinc/46/57/02/1088465702.db2.gz PGIVDDNUKHWUAA-OAHLLOKOSA-N -1 0 372.453 4.495 20 30 FIEDRM C[C@H](Nc1cc2c(CC(=O)[O-])c[nH]c2cc1Cl)c1cccc(C#N)c1 ZINC001167709273 1088478233 /nfs/dbraw/zinc/47/82/33/1088478233.db2.gz LLXTWHYPJRHJLD-NSHDSACASA-N -1 0 353.809 4.493 20 30 FIEDRM Cc1oc(Br)cc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000425310183 1089450289 /nfs/dbraw/zinc/45/02/89/1089450289.db2.gz XJYOWOKTHHKJQZ-SNVBAGLBSA-N -1 0 353.241 4.421 20 30 FIEDRM CC(C)(C)c1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)nc1 ZINC000514787362 1089468775 /nfs/dbraw/zinc/46/87/75/1089468775.db2.gz HEROGVXFTOYGCI-OAHLLOKOSA-N -1 0 362.458 4.388 20 30 FIEDRM N#Cc1ccc(CN=c2[n-]nc(SCc3ccc(F)cc3)s2)c(F)c1 ZINC000514823240 1089502943 /nfs/dbraw/zinc/50/29/43/1089502943.db2.gz JSGAJKKATUGIIT-UHFFFAOYSA-N -1 0 374.441 4.014 20 30 FIEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000514939200 1089646144 /nfs/dbraw/zinc/64/61/44/1089646144.db2.gz KULWZLGGIVFFGO-UHFFFAOYSA-N -1 0 355.887 4.197 20 30 FIEDRM CCSc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435483493 1089699153 /nfs/dbraw/zinc/69/91/53/1089699153.db2.gz RRZFLIGFIOEAOR-UHFFFAOYSA-N -1 0 358.897 4.186 20 30 FIEDRM N#C[C@@H](c1ccc(Cl)cc1)N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000660023999 1090425441 /nfs/dbraw/zinc/42/54/41/1090425441.db2.gz CJHUMAXBQRYJFQ-IBGZPJMESA-N -1 0 354.837 4.205 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nn1-c1ccccc1 ZINC000123644820 1091198290 /nfs/dbraw/zinc/19/82/90/1091198290.db2.gz CMEAUCTTWQGAOQ-HNNXBMFYSA-N -1 0 370.334 4.085 20 30 FIEDRM N#CC(=C([O-])c1ccc(C#N)c(Cl)c1)c1nc(-c2ccncc2)cs1 ZINC000124136075 1091715175 /nfs/dbraw/zinc/71/51/75/1091715175.db2.gz FFRGPMLPLTZEQT-AWEZNQCLSA-N -1 0 364.817 4.220 20 30 FIEDRM O=C(c1cc(F)c([O-])c(Cl)c1)N(CCC(F)(F)F)CC(F)(F)F ZINC000279794404 1092047768 /nfs/dbraw/zinc/04/77/68/1092047768.db2.gz ORELTSCAEOFGAT-UHFFFAOYSA-N -1 0 367.648 4.142 20 30 FIEDRM N#C[C@@H](C(=O)c1cnc2c(F)cccc2c1)c1cc(C(F)(F)F)ccn1 ZINC000429581895 1092338699 /nfs/dbraw/zinc/33/86/99/1092338699.db2.gz XKQNBORVULBOIM-CYBMUJFWSA-N -1 0 359.282 4.278 20 30 FIEDRM CCn1ncc2cc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)c(C)nc21 ZINC000442536966 1092665321 /nfs/dbraw/zinc/66/53/21/1092665321.db2.gz BPHJZXSFWZOSKQ-CQSZACIVSA-N -1 0 367.478 4.004 20 30 FIEDRM C=CCC(F)(F)C(=O)[N-][C@H](c1c[nH]c2cccc(F)c21)C(F)(F)F ZINC000843702544 1092707781 /nfs/dbraw/zinc/70/77/81/1092707781.db2.gz MPIBUJDVHBCGPG-GFCCVEGCSA-N -1 0 350.262 4.238 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)cc1[O-] ZINC000442964953 1092891917 /nfs/dbraw/zinc/89/19/17/1092891917.db2.gz ITKKCGOZFIVBRE-UHFFFAOYSA-N -1 0 350.324 4.461 20 30 FIEDRM O=C([O-])c1ccc(C(=O)/C=C/c2ccccc2OCc2ccccn2)s1 ZINC000025198873 1092915596 /nfs/dbraw/zinc/91/55/96/1092915596.db2.gz MYNLGGKSNFTNDB-CMDGGOBGSA-N -1 0 365.410 4.316 20 30 FIEDRM CCCNc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000443068631 1092926764 /nfs/dbraw/zinc/92/67/64/1092926764.db2.gz WFIPVAAMFQFMKS-UHFFFAOYSA-N -1 0 363.339 4.357 20 30 FIEDRM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000443416533 1093111156 /nfs/dbraw/zinc/11/11/56/1093111156.db2.gz IPRSVDGLSXVXML-UHFFFAOYSA-N -1 0 356.369 4.020 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc(-c3ccc(C)cc3)cs2)nnn1C(C)C ZINC000429682084 1093300821 /nfs/dbraw/zinc/30/08/21/1093300821.db2.gz MNIPCXJYQARKDO-HNNXBMFYSA-N -1 0 365.462 4.089 20 30 FIEDRM N#CC(=C([O-])c1coc(Br)c1)c1nc(-c2ccncc2)cs1 ZINC000114619930 1093659888 /nfs/dbraw/zinc/65/98/88/1093659888.db2.gz YVWDHWOCADBYON-LLVKDONJSA-N -1 0 374.219 4.051 20 30 FIEDRM Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1cc(O)cc(C#N)c1 ZINC000614365544 1093766581 /nfs/dbraw/zinc/76/65/81/1093766581.db2.gz VDQSIRLYGKNCBU-GFCCVEGCSA-N -1 0 363.442 4.187 20 30 FIEDRM Cc1cc(C#N)ccc1CSc1n[n-]c(=NCc2ccc(F)cc2)s1 ZINC000614402389 1093820087 /nfs/dbraw/zinc/82/00/87/1093820087.db2.gz WSCYVNDTWAMWTG-UHFFFAOYSA-N -1 0 370.478 4.184 20 30 FIEDRM COCc1ncc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)s1 ZINC000513667167 1094262906 /nfs/dbraw/zinc/26/29/06/1094262906.db2.gz PTJHNJPKSPDWNX-VIFPVBQESA-N -1 0 363.851 4.043 20 30 FIEDRM COc1ccc(-c2nc(C([O-])=C(C#N)c3nc(C)cs3)cs2)cc1 ZINC000041518572 1094641289 /nfs/dbraw/zinc/64/12/89/1094641289.db2.gz JWMMQKHHFPWMFF-ZDUSSCGKSA-N -1 0 355.444 4.074 20 30 FIEDRM Cc1nc(-c2ccc(NC(=O)N[C@@H]3CC34CCCCC4)cc2)cc(=O)[nH]1 ZINC000329127564 1094749832 /nfs/dbraw/zinc/74/98/32/1094749832.db2.gz UWUGMRJCAXUEPR-QGZVFWFLSA-N -1 0 352.438 4.206 20 30 FIEDRM [O-]/C(=N/Cc1cn2ccsc2n1)Nc1ncc(C2CCCCC2)s1 ZINC000329289706 1094818616 /nfs/dbraw/zinc/81/86/16/1094818616.db2.gz AGGHGLBIPCGPQW-UHFFFAOYSA-N -1 0 361.496 4.426 20 30 FIEDRM Cc1onc(-c2cccnc2)c1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000513732283 1095148975 /nfs/dbraw/zinc/14/89/75/1095148975.db2.gz DCEWJYXQXSAVRZ-CYBMUJFWSA-N -1 0 360.398 4.145 20 30 FIEDRM C=CCn1c([C@H]2CCO[C@@H]2c2ccccc2)n[n-]c1=Nc1ccccc1C ZINC000515712989 1098864470 /nfs/dbraw/zinc/86/44/70/1098864470.db2.gz ZISGBIMUDOLLGJ-AZUAARDMSA-N -1 0 360.461 4.183 20 30 FIEDRM N#Cc1ccc(SCc2cc([O-])ccc2[N+](=O)[O-])cc1C(F)(F)F ZINC000436475055 1099050685 /nfs/dbraw/zinc/05/06/85/1099050685.db2.gz YAZPXPYMEREXTQ-UHFFFAOYSA-N -1 0 354.309 4.483 20 30 FIEDRM CCOc1nc2cc(C([O-])=C(C#N)c3nc(C(C)C)cs3)ccc2[nH]1 ZINC000436699636 1099233356 /nfs/dbraw/zinc/23/33/56/1099233356.db2.gz VUDPEFMAYWMMKH-LBPRGKRZSA-N -1 0 354.435 4.032 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(N=Nc3ccccc3)cc2)cn1 ZINC000263639356 1099288357 /nfs/dbraw/zinc/28/83/57/1099288357.db2.gz DFNGVLLRXLDTRS-UHFFFAOYSA-N -1 0 363.402 4.169 20 30 FIEDRM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cc(-c4ccccc4)ns3)nc21 ZINC000437379194 1099873308 /nfs/dbraw/zinc/87/33/08/1099873308.db2.gz FVUSOPMCXOWGRV-AWEZNQCLSA-N -1 0 358.426 4.485 20 30 FIEDRM N#CCCSc1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000517433647 1100371911 /nfs/dbraw/zinc/37/19/11/1100371911.db2.gz BOXHHIUINMEUIS-UHFFFAOYSA-N -1 0 352.868 4.147 20 30 FIEDRM CCc1nc(C)c(C([O-])=C(C#N)C(=O)c2c(C)[nH]c3ccccc32)s1 ZINC000140115683 1101236401 /nfs/dbraw/zinc/23/64/01/1101236401.db2.gz JNEDYFUADBDGTL-CYBMUJFWSA-N -1 0 351.431 4.009 20 30 FIEDRM O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000050204981 1101478259 /nfs/dbraw/zinc/47/82/59/1101478259.db2.gz BTSJUAMTVDNQBX-HOTGVXAUSA-N -1 0 367.829 4.069 20 30 FIEDRM CC1(C)Cc2cc(/C=C(/C(=O)C(=O)[O-])c3ccc4ccccc4n3)ccc2O1 ZINC000729151450 1101917179 /nfs/dbraw/zinc/91/71/79/1101917179.db2.gz WRXYLSPNZQENCJ-SFQUDFHCSA-N -1 0 373.408 4.143 20 30 FIEDRM Cc1csc(SCc2ccc(C([O-])=C(C#N)c3ccncn3)cc2)n1 ZINC000760336304 1101920517 /nfs/dbraw/zinc/92/05/17/1101920517.db2.gz XUGBTEDUXHWPKJ-OAHLLOKOSA-N -1 0 366.471 4.024 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C(C)(C)c2ccc(Cl)cc2)cc1 ZINC000054422435 1102014011 /nfs/dbraw/zinc/01/40/11/1102014011.db2.gz PFWZFSKMLNZACW-UHFFFAOYSA-N -1 0 351.855 4.271 20 30 FIEDRM Cc1ccc(-c2nc(C)c(C([O-])=C(C#N)c3nc4ccccc4[nH]3)s2)o1 ZINC000048813671 1102434913 /nfs/dbraw/zinc/43/49/13/1102434913.db2.gz XPZUNNSPOODLRM-GFCCVEGCSA-N -1 0 362.414 4.386 20 30 FIEDRM C[C@@H](Oc1cccc(C(=O)/C=C\c2cnc(C3CCC3)s2)c1)C(=O)[O-] ZINC000760263952 1102555252 /nfs/dbraw/zinc/55/52/52/1102555252.db2.gz IKDSRFYWNVUAJG-JLVNDZCYSA-N -1 0 357.431 4.159 20 30 FIEDRM CC(=Cc1cnc(-c2ccc(Cl)cc2)s1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000550975450 1102737837 /nfs/dbraw/zinc/73/78/37/1102737837.db2.gz CNMVBKDXKZWAFR-YFHOEESVSA-N -1 0 368.849 4.287 20 30 FIEDRM C[C@H]1CCn2ncc(C([O-])=C(C#N)c3nc4cc(Cl)ccc4s3)c2C1 ZINC000519764779 1103837459 /nfs/dbraw/zinc/83/74/59/1103837459.db2.gz GJNPVFUOVNHJFU-CMPLNLGQSA-N -1 0 370.865 4.219 20 30 FIEDRM N#CC(=C([O-])c1cnc(-c2ccsc2)s1)c1nc2ccccc2[nH]1 ZINC000112483417 1104362864 /nfs/dbraw/zinc/36/28/64/1104362864.db2.gz CNKVFUBFQIYFIB-NSHDSACASA-N -1 0 350.428 4.238 20 30 FIEDRM CCc1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-] ZINC000473932017 1104414704 /nfs/dbraw/zinc/41/47/04/1104414704.db2.gz KBILZUMTHULUNH-ZDUSSCGKSA-N -1 0 363.295 4.061 20 30 FIEDRM O=C(N[C@@H]1CCCN(CC(F)(F)F)C1)c1c([O-])cc(Cl)cc1Cl ZINC000331236078 1104710528 /nfs/dbraw/zinc/71/05/28/1104710528.db2.gz MCFVFDPTAWHREV-SECBINFHSA-N -1 0 371.186 4.030 20 30 FIEDRM CC(C)c1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)cc1[N+](=O)[O-] ZINC000190639098 1104965774 /nfs/dbraw/zinc/96/57/74/1104965774.db2.gz VNOONHGKOYKVOW-OAHLLOKOSA-N -1 0 362.389 4.095 20 30 FIEDRM C=C[C@H](CC(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1)c1ccccc1 ZINC000190798619 1105168700 /nfs/dbraw/zinc/16/87/00/1105168700.db2.gz ZEOGOHBWHBAHIP-MRXNPFEDSA-N -1 0 373.399 4.128 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ncc(C3CCCCC3)s2)cc1F ZINC000427784010 1105280983 /nfs/dbraw/zinc/28/09/83/1105280983.db2.gz XCSZKGKZCFJCBR-UHFFFAOYSA-N -1 0 365.455 4.002 20 30 FIEDRM Cc1cccc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)c1C#N ZINC000137645890 1107948135 /nfs/dbraw/zinc/94/81/35/1107948135.db2.gz BCMJGSOAUURPHJ-UHFFFAOYSA-N -1 0 368.380 4.162 20 30 FIEDRM CC[C@H](C)n1ncc2c1nc(C)cc2C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000523958036 1108702920 /nfs/dbraw/zinc/70/29/20/1108702920.db2.gz OQEQZFWLEKHIMD-DZGCQCFKSA-N -1 0 373.416 4.342 20 30 FIEDRM CC(F)(F)c1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cn1 ZINC000453790908 1108739096 /nfs/dbraw/zinc/73/90/96/1108739096.db2.gz DMXWHERTJMQWAW-LLVKDONJSA-N -1 0 355.266 4.097 20 30 FIEDRM CCSc1cccnc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000453793074 1108740929 /nfs/dbraw/zinc/74/09/29/1108740929.db2.gz LHEPSRMZVYLYAQ-LLVKDONJSA-N -1 0 351.353 4.097 20 30 FIEDRM CCN(C(=O)c1cccc(Br)c1[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000525260239 1109322646 /nfs/dbraw/zinc/32/26/46/1109322646.db2.gz JASPSXZSHAXFPG-GFCCVEGCSA-N -1 0 373.250 4.250 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(C(C)=O)o3)n2)cc1 ZINC000447520352 1109559626 /nfs/dbraw/zinc/55/96/26/1109559626.db2.gz JXJFXMUHWGNAMV-AWEZNQCLSA-N -1 0 366.398 4.104 20 30 FIEDRM N#CC(=C([O-])c1ocnc1C1CC1)c1nc(-c2c(F)cccc2F)cs1 ZINC000554776418 1112484942 /nfs/dbraw/zinc/48/49/42/1112484942.db2.gz XRICCACFVRTWCL-SNVBAGLBSA-N -1 0 371.368 4.444 20 30 FIEDRM N#CCCN(CC1CC1)C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000156718439 1112691226 /nfs/dbraw/zinc/69/12/26/1112691226.db2.gz CABUDGUPJHUCBU-UHFFFAOYSA-N -1 0 354.837 4.478 20 30 FIEDRM Cc1ccc(SCC(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000042266720 1112977520 /nfs/dbraw/zinc/97/75/20/1112977520.db2.gz YNHXUFUIEVSAPB-UHFFFAOYSA-N -1 0 361.897 4.147 20 30 FIEDRM Cc1ccc2nc(C)c(C([O-])=C(C#N)c3cnc4ccccc4n3)cc2c1 ZINC000483189764 1113464114 /nfs/dbraw/zinc/46/41/14/1113464114.db2.gz CKRZXVXAXHAJAU-QGZVFWFLSA-N -1 0 352.397 4.285 20 30 FIEDRM Cc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000483231002 1113472494 /nfs/dbraw/zinc/47/24/94/1113472494.db2.gz MXDSZNNCCNYEKX-LJQANCHMSA-N -1 0 352.397 4.219 20 30 FIEDRM COc1ccccc1N=c1[n-]nc(SCc2cccc(F)c2C#N)s1 ZINC000488280458 1113896921 /nfs/dbraw/zinc/89/69/21/1113896921.db2.gz FCQAOCVXNZHNNR-UHFFFAOYSA-N -1 0 372.450 4.015 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3o2)cnn1-c1ccccc1C ZINC000054736051 1114386331 /nfs/dbraw/zinc/38/63/31/1114386331.db2.gz DGOBQZMQVATYQW-OAHLLOKOSA-N -1 0 356.385 4.120 20 30 FIEDRM Cc1cc(-c2nc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)co2)ccn1 ZINC000571018892 1114422780 /nfs/dbraw/zinc/42/27/80/1114422780.db2.gz CUMCZOMIXTVTRT-ZDUSSCGKSA-N -1 0 366.446 4.289 20 30 FIEDRM CSc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000055556631 1114495366 /nfs/dbraw/zinc/49/53/66/1114495366.db2.gz WYFFPAHSYBWOJS-UHFFFAOYSA-N -1 0 372.393 4.100 20 30 FIEDRM Cc1nn(-c2ccccc2)cc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000588348527 1114576754 /nfs/dbraw/zinc/57/67/54/1114576754.db2.gz PMOAMQLTBWCNHU-GOSISDBHSA-N -1 0 352.397 4.219 20 30 FIEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000572056804 1114596221 /nfs/dbraw/zinc/59/62/21/1114596221.db2.gz AQKCWKJHDAOXCU-NVXWUHKLSA-N -1 0 374.362 4.323 20 30 FIEDRM N#CCc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(F)(F)F)c1 ZINC000589594243 1114814166 /nfs/dbraw/zinc/81/41/66/1114814166.db2.gz MMINQWJZBGGVAR-UHFFFAOYSA-N -1 0 374.771 4.226 20 30 FIEDRM CCOC(=O)c1csc([C@H](C#N)C(=O)c2cccc(C(C)(C)C)c2)n1 ZINC000572982970 1114941078 /nfs/dbraw/zinc/94/10/78/1114941078.db2.gz CRMHEUXWCZBTNW-CQSZACIVSA-N -1 0 356.447 4.107 20 30 FIEDRM O=C(CCCc1ccccc1)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000058038862 1115076698 /nfs/dbraw/zinc/07/66/98/1115076698.db2.gz PBFDJWHSTWRSEP-UHFFFAOYSA-N -1 0 355.459 4.283 20 30 FIEDRM N#CC(=C([O-])c1cnc(C2CC2)s1)c1nc2ccccc2n1C(F)F ZINC000591862500 1115165814 /nfs/dbraw/zinc/16/58/14/1115165814.db2.gz RXRZIWXHVUPORL-JTQLQIEISA-N -1 0 358.373 4.255 20 30 FIEDRM CC(=O)Nc1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)ccc1C ZINC000573992017 1115228441 /nfs/dbraw/zinc/22/84/41/1115228441.db2.gz XGZROLRHIQBHRZ-CQSZACIVSA-N -1 0 355.463 4.198 20 30 FIEDRM N#CC(=C([O-])c1ccn(-c2ccccc2)n1)c1nc2cc(F)ccc2s1 ZINC000592974277 1115272892 /nfs/dbraw/zinc/27/28/92/1115272892.db2.gz RKXZHBDCLPFONZ-CQSZACIVSA-N -1 0 362.389 4.111 20 30 FIEDRM N#CC(=C([O-])c1cc2ccccc2[nH]c1=O)c1nc2cc(F)ccc2s1 ZINC000592974814 1115272939 /nfs/dbraw/zinc/27/29/39/1115272939.db2.gz ZXQNQSLNVBLDSW-ZDUSSCGKSA-N -1 0 363.373 4.179 20 30 FIEDRM Cc1oc([N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)nc1C1CC1 ZINC000594725650 1115479191 /nfs/dbraw/zinc/47/91/91/1115479191.db2.gz IJOXTWYDWIZPMK-UHFFFAOYSA-N -1 0 373.459 4.056 20 30 FIEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2cc(F)ccc2Br)cc1 ZINC000761197314 1115614784 /nfs/dbraw/zinc/61/47/84/1115614784.db2.gz CFPQLZQOSASWSH-VMPITWQZSA-N -1 0 363.182 4.111 20 30 FIEDRM Cn1cnc2cc(/C=C/C(=O)c3ccc(-c4ccc(C(=O)[O-])o4)cc3)ccc21 ZINC000761200839 1115620755 /nfs/dbraw/zinc/62/07/55/1115620755.db2.gz RHTXDPHMKZHNPE-YCRREMRBSA-N -1 0 372.380 4.428 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)c(C)c1 ZINC000076758098 1115665929 /nfs/dbraw/zinc/66/59/29/1115665929.db2.gz IUTFBOWFNXCOSL-UKRRQHHQSA-N -1 0 365.401 4.031 20 30 FIEDRM Cc1ccc(C)c(C(=O)Nc2scc(C(C)(C)C)c2C#N)c1C(=O)[O-] ZINC000601996912 1115678071 /nfs/dbraw/zinc/67/80/71/1115678071.db2.gz ZRELXNWKCOYHOU-UHFFFAOYSA-N -1 0 356.447 4.485 20 30 FIEDRM N#CC[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])C1 ZINC000597905558 1115692395 /nfs/dbraw/zinc/69/23/95/1115692395.db2.gz FSSIPEMIMHDZSE-CQSZACIVSA-N -1 0 354.837 4.478 20 30 FIEDRM C[C@@H]1Cc2c(C#N)c([N-]C(=O)c3ocnc3C(F)F)sc2[C@@H](C)C1 ZINC000602342937 1115699375 /nfs/dbraw/zinc/69/93/75/1115699375.db2.gz NIUKIMYZVVXSLB-YUMQZZPRSA-N -1 0 351.378 4.483 20 30 FIEDRM CC(C)COc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000603983751 1115836472 /nfs/dbraw/zinc/83/64/72/1115836472.db2.gz SKASTMHBMLDGPS-UHFFFAOYSA-N -1 0 364.854 4.047 20 30 FIEDRM CCc1ocnc1C([O-])=C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000607009509 1115989518 /nfs/dbraw/zinc/98/95/18/1115989518.db2.gz RXDHAQUAYICSLG-SECBINFHSA-N -1 0 365.336 4.356 20 30 FIEDRM Cc1ccc(C)c(OCCCCC(=O)[N-]S(=O)(=O)c2cccs2)c1 ZINC000063234076 1116027296 /nfs/dbraw/zinc/02/72/96/1116027296.db2.gz DQYDCEJRRRHGCA-UHFFFAOYSA-N -1 0 367.492 4.259 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc(-c2csc(C)n2)c1 ZINC000173942746 1116100917 /nfs/dbraw/zinc/10/09/17/1116100917.db2.gz YGXPYXGXWWXWJM-KRWDZBQOSA-N -1 0 369.490 4.138 20 30 FIEDRM Cc1ccc(-c2nc(C([O-])=C(C#N)c3nc4ccccc4o3)cs2)n1C ZINC000534656561 1116223048 /nfs/dbraw/zinc/22/30/48/1116223048.db2.gz ZHMSJZJJJSOADP-GFCCVEGCSA-N -1 0 362.414 4.088 20 30 FIEDRM N#CC(=C([O-])c1cnc(-c2ccncc2)s1)c1ccc(C(F)(F)F)cn1 ZINC000534927637 1116253333 /nfs/dbraw/zinc/25/33/33/1116253333.db2.gz FUTLSZWYASVEHY-LBPRGKRZSA-N -1 0 374.347 4.109 20 30 FIEDRM Cn1cc(Nc2cccc(C([O-])=C(C#N)c3nc4ccccc4s3)c2)cn1 ZINC000534995169 1116260547 /nfs/dbraw/zinc/26/05/47/1116260547.db2.gz PGLJOHHCQAAVCT-INIZCTEOSA-N -1 0 373.441 4.263 20 30 FIEDRM CCN(C(=O)c1ccc(C#N)c(O)c1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000443309408 1117968933 /nfs/dbraw/zinc/96/89/33/1117968933.db2.gz FONFZPKFRRWWBL-LJQANCHMSA-N -1 0 354.425 4.132 20 30 FIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cnn(CC(C)C)c3)n2)cc1 ZINC000541021692 1118356931 /nfs/dbraw/zinc/35/69/31/1118356931.db2.gz XUSXIPAJFOHHKN-KRWDZBQOSA-N -1 0 364.474 4.461 20 30 FIEDRM Cc1nc(C(F)(F)F)sc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000464188430 1118476474 /nfs/dbraw/zinc/47/64/74/1118476474.db2.gz RZCDFEWVMZVKJD-MRVPVSSYSA-N -1 0 351.309 4.102 20 30 FIEDRM COc1ccc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)nc1 ZINC000464188643 1118477025 /nfs/dbraw/zinc/47/70/25/1118477025.db2.gz WCBQANHCYLHQEN-AWEZNQCLSA-N -1 0 369.833 4.357 20 30 FIEDRM CCc1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cc1[N+](=O)[O-] ZINC000464403313 1118552663 /nfs/dbraw/zinc/55/26/63/1118552663.db2.gz GRIRWBXLGDQSDQ-ZDUSSCGKSA-N -1 0 363.295 4.061 20 30 FIEDRM N#CC(=C([O-])c1ncsc1C(F)(F)F)c1cc(C(F)(F)F)ccn1 ZINC000464463809 1118570691 /nfs/dbraw/zinc/57/06/91/1118570691.db2.gz GLTKNQSIEWAYOY-SSDOTTSWSA-N -1 0 365.258 4.066 20 30 FIEDRM C=CCC[C@@H](NC(=O)N=c1ncn(C2CCCCC2)[n-]1)c1ccccc1 ZINC000541791682 1118647632 /nfs/dbraw/zinc/64/76/32/1118647632.db2.gz LTENJYRUNJAPAF-GOSISDBHSA-N -1 0 353.470 4.034 20 30 FIEDRM C[C@@H](Oc1cccc(C(=O)/C=C/c2nc3ccc(F)cc3s2)c1)C(=O)[O-] ZINC000761475312 1119057670 /nfs/dbraw/zinc/05/76/70/1119057670.db2.gz CPROJSWMEGMQIM-WSKFYRRCSA-N -1 0 371.389 4.183 20 30 FIEDRM CC(C)c1cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)nn1C ZINC000177603869 1119339608 /nfs/dbraw/zinc/33/96/08/1119339608.db2.gz NPCGSOWQKWLNGU-CQSZACIVSA-N -1 0 350.447 4.157 20 30 FIEDRM CC(C)c1cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)n(C)n1 ZINC000177603762 1119339667 /nfs/dbraw/zinc/33/96/67/1119339667.db2.gz LJBWIVFLUGGYHJ-CQSZACIVSA-N -1 0 350.447 4.157 20 30 FIEDRM CSc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1[N+](=O)[O-] ZINC000177742577 1119348799 /nfs/dbraw/zinc/34/87/99/1119348799.db2.gz COURQWGUEYRBLJ-LLVKDONJSA-N -1 0 361.448 4.387 20 30 FIEDRM C[C@H](C(=O)[N-][C@H](c1ccccc1OC(F)F)C(F)(F)F)C(F)(F)F ZINC000493307178 1119437688 /nfs/dbraw/zinc/43/76/88/1119437688.db2.gz VUMVAJXDOMNENS-HZGVNTEJSA-N -1 0 365.220 4.206 20 30 FIEDRM N#CC(=C([O-])c1c[nH]nc1-c1cccc(Cl)c1)c1nc2ccccc2o1 ZINC000184292949 1119602026 /nfs/dbraw/zinc/60/20/26/1119602026.db2.gz CEJUNXTXGTYNPI-ZDUSSCGKSA-N -1 0 362.776 4.361 20 30 FIEDRM COc1cc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)c(SC)cc1OC ZINC000741165375 1119837359 /nfs/dbraw/zinc/83/73/59/1119837359.db2.gz LZEBZANUFDVIBS-PLNGDYQASA-N -1 0 364.444 4.082 20 30 FIEDRM CCc1sc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cc1Br ZINC000495220537 1120548223 /nfs/dbraw/zinc/54/82/23/1120548223.db2.gz LVIQUKDWYCSPMF-VIFPVBQESA-N -1 0 374.263 4.439 20 30 FIEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1cccc([C@H]2CCOC2)c1 ZINC000762019263 1120653035 /nfs/dbraw/zinc/65/30/35/1120653035.db2.gz RTNZCUXYFNOTFF-HKUYNNGSSA-N -1 0 372.424 4.186 20 30 FIEDRM CCOc1ccc(C/N=C\c2cc(Br)ccc2O)cc1OC ZINC000915114104 1120821459 /nfs/dbraw/zinc/82/14/59/1120821459.db2.gz CTYIUGHCBYNTBL-ODLFYWEKSA-N -1 0 364.239 4.181 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)Cc1c[nH]c2ccccc12 ZINC000193600309 1120977781 /nfs/dbraw/zinc/97/77/81/1120977781.db2.gz MAMJEOHFGNXBOE-KRWDZBQOSA-N -1 0 355.397 4.092 20 30 FIEDRM CCCCOc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc1OCC ZINC000193610070 1120981876 /nfs/dbraw/zinc/98/18/76/1120981876.db2.gz QRORKENMNOEOCE-SDNWHVSQSA-N -1 0 367.449 4.088 20 30 FIEDRM N#CC(=C([O-])c1cc2ccccc2[nH]c1=O)c1nc(-c2ccccc2)cs1 ZINC000193722143 1121023372 /nfs/dbraw/zinc/02/33/72/1121023372.db2.gz HKXWBZIIHPTXRM-MRXNPFEDSA-N -1 0 371.421 4.142 20 30 FIEDRM Cc1cc([O-])cc2c1C(=O)C(=NN=C(c1ccccc1)c1ccccc1)O2 ZINC000915936523 1121355161 /nfs/dbraw/zinc/35/51/61/1121355161.db2.gz PWJJZFDTADISGU-UHFFFAOYSA-N -1 0 356.381 4.127 20 30 FIEDRM O=C([O-])CCOc1ccc(C=NNc2ccccc2C(F)(F)F)cc1 ZINC000915939925 1121355516 /nfs/dbraw/zinc/35/55/16/1121355516.db2.gz YXEFIWVOLCTQNL-UHFFFAOYSA-N -1 0 352.312 4.005 20 30 FIEDRM CCC(N=Nc1ccc([N+](=O)[O-])cn1)c1cc(Cl)cc(Cl)c1[O-] ZINC000915969955 1121357918 /nfs/dbraw/zinc/35/79/18/1121357918.db2.gz ZFRSIPWIJVNIAH-UHFFFAOYSA-N -1 0 355.181 4.228 20 30 FIEDRM C[C@@H](Cc1ccc(Br)cc1)/N=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000915978989 1121360622 /nfs/dbraw/zinc/36/06/22/1121360622.db2.gz LGJZOUMIVYPOIR-TZQXVGBESA-N -1 0 363.211 4.113 20 30 FIEDRM CCCCOc1ccc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1OC ZINC000915980431 1121361264 /nfs/dbraw/zinc/36/12/64/1121361264.db2.gz RPESXZANEDLQMW-DEDYPNTBSA-N -1 0 358.394 4.107 20 30 FIEDRM COc1ccc(F)cc1[C@@H](C)/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000915981361 1121362047 /nfs/dbraw/zinc/36/20/47/1121362047.db2.gz QVTOWJGPOAEDLD-QTCOOLGCSA-N -1 0 352.749 4.282 20 30 FIEDRM COc1cc(OC)c(C/N=C/c2cc(Cl)cc(Cl)c2[O-])c(OC)c1 ZINC000915981219 1121362693 /nfs/dbraw/zinc/36/26/93/1121362693.db2.gz OOFOQLUPHHVGNN-DNTJNYDQSA-N -1 0 370.232 4.344 20 30 FIEDRM O=C([O-])c1ccc(C(=O)/C=C\c2cccc(OCC(F)(F)F)c2)s1 ZINC000915988294 1121368217 /nfs/dbraw/zinc/36/82/17/1121368217.db2.gz UAEZAQAZEIOCEM-PLNGDYQASA-N -1 0 356.321 4.284 20 30 FIEDRM COc1cccc2cc(/C=C(\C(=O)C(=O)[O-])c3ccc4ccccc4n3)oc21 ZINC000916137992 1121425671 /nfs/dbraw/zinc/42/56/71/1121425671.db2.gz ARQJXRAWYQNMAX-VBKFSLOCSA-N -1 0 373.364 4.184 20 30 FIEDRM CC(C)c1ccc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000916156808 1121430357 /nfs/dbraw/zinc/43/03/57/1121430357.db2.gz INZFGYOPLVUTJU-CLFYSBASSA-N -1 0 369.373 4.078 20 30 FIEDRM CCCOc1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)ccc1OC ZINC000916259318 1121453526 /nfs/dbraw/zinc/45/35/26/1121453526.db2.gz FBICVEQECMJWNW-UHFFFAOYSA-N -1 0 362.813 4.282 20 30 FIEDRM O=C([O-])c1cc([N-][NH+]=Cc2ccccc2N2CCCCC2)ccc1Cl ZINC000916259876 1121454762 /nfs/dbraw/zinc/45/47/62/1121454762.db2.gz TZBYLVRYKFILKC-UHFFFAOYSA-N -1 0 357.841 4.475 20 30 FIEDRM CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1ccccc1OC(F)F ZINC000916259846 1121454967 /nfs/dbraw/zinc/45/49/67/1121454967.db2.gz SDFNZSPIJGQBMA-UHFFFAOYSA-N -1 0 354.740 4.476 20 30 FIEDRM COc1ccc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cc1OCCC(C)C ZINC000496554246 1121464102 /nfs/dbraw/zinc/46/41/02/1121464102.db2.gz OJQLLQKSUQWUQL-DAXSKMNVSA-N -1 0 366.417 4.255 20 30 FIEDRM COc1cc(/C=C\C(=O)c2cc(C)ccc2C)ccc1OCCC(=O)[O-] ZINC000763368703 1121482426 /nfs/dbraw/zinc/48/24/26/1121482426.db2.gz KFMNDLMFZCZTNZ-VURMDHGXSA-N -1 0 354.402 4.062 20 30 FIEDRM CCCN1c2ccccc2C(=N[N-]c2nc(-c3ccccc3)cs2)C1=O ZINC000916545755 1121538858 /nfs/dbraw/zinc/53/88/58/1121538858.db2.gz XMAUENKEYVNQAW-UHFFFAOYSA-N -1 0 362.458 4.383 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2ccc(F)cc2)o1 ZINC000916875981 1121906248 /nfs/dbraw/zinc/90/62/48/1121906248.db2.gz MZWUNBXYGHWMGF-MRXNPFEDSA-N -1 0 356.397 4.105 20 30 FIEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cc2c(cccc2Cl)s1 ZINC000916886924 1121910447 /nfs/dbraw/zinc/91/04/47/1121910447.db2.gz LLJHGKHHOBYXCN-AWEZNQCLSA-N -1 0 368.845 4.194 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(Oc2ccccc2)cc1 ZINC000916873069 1121912169 /nfs/dbraw/zinc/91/21/69/1121912169.db2.gz MZHVQIUWVZEQSP-HXUWFJFHSA-N -1 0 364.445 4.498 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc(Oc2ccccc2)c1 ZINC000916872764 1121912515 /nfs/dbraw/zinc/91/25/15/1121912515.db2.gz JCGFTTKFBCJKEF-HXUWFJFHSA-N -1 0 364.445 4.498 20 30 FIEDRM CCN1c2ccc(C)cc2C(=N[N-]c2nc(-c3ccccc3)cs2)C1=O ZINC000917025456 1122010021 /nfs/dbraw/zinc/01/00/21/1122010021.db2.gz KUONFMPRUHDZEH-UHFFFAOYSA-N -1 0 362.458 4.301 20 30 FIEDRM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)c1 ZINC000066814116 1122098450 /nfs/dbraw/zinc/09/84/50/1122098450.db2.gz WUDZAVJNMWGFCP-ZDUSSCGKSA-N -1 0 374.487 4.084 20 30 FIEDRM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)cc1 ZINC000066814231 1122099157 /nfs/dbraw/zinc/09/91/57/1122099157.db2.gz VUWZNUVCZKVWBE-CYBMUJFWSA-N -1 0 374.487 4.084 20 30 FIEDRM CCc1nc(C)c(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)o1 ZINC000497364374 1122154102 /nfs/dbraw/zinc/15/41/02/1122154102.db2.gz OINHRYREUSQMDT-AWEZNQCLSA-N -1 0 362.414 4.031 20 30 FIEDRM COc1ccc(C(=O)/C=C\c2cc(C(=O)[O-])cs2)cc1Br ZINC000765822584 1122218003 /nfs/dbraw/zinc/21/80/03/1122218003.db2.gz AVPLPOXHLATWBW-ARJAWSKDSA-N -1 0 367.220 4.114 20 30 FIEDRM N#CC(=C([O-])c1csc(C(F)(F)F)n1)c1nc2ccccc2s1 ZINC000556570544 1122982297 /nfs/dbraw/zinc/98/22/97/1122982297.db2.gz DCHRXAHKTHCIJS-SSDOTTSWSA-N -1 0 353.350 4.262 20 30 FIEDRM C=CCN(CC=C)Cc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[n-]1 ZINC000073123684 1123198447 /nfs/dbraw/zinc/19/84/47/1123198447.db2.gz HJGPAGILRJZNPI-UHFFFAOYSA-N -1 0 367.474 4.247 20 30 FIEDRM Cc1onc(-c2cccnc2)c1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000556938953 1123257100 /nfs/dbraw/zinc/25/71/00/1123257100.db2.gz BUVYGJPIULYHSA-ZDUSSCGKSA-N -1 0 366.446 4.289 20 30 FIEDRM CCCOc1cc(/C=C2\CCc3oc(C(=O)[O-])c(C)c3C2=O)ccc1OC ZINC000920068535 1123336870 /nfs/dbraw/zinc/33/68/70/1123336870.db2.gz MVAFEHYGEDLQBJ-GXDHUFHOSA-N -1 0 370.401 4.296 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H](C)Oc1cccc(C)c1 ZINC000920102749 1123350720 /nfs/dbraw/zinc/35/07/20/1123350720.db2.gz YASGKGQKTMNXHU-QAPCUYQASA-N -1 0 360.413 4.144 20 30 FIEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/C2CCN(c3ccccc3)CC2)c1[O-] ZINC000920172216 1123401978 /nfs/dbraw/zinc/40/19/78/1123401978.db2.gz BJYATRCEQVYDSK-UDWIEESQSA-N -1 0 359.813 4.042 20 30 FIEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/CC2(c3cccc(Cl)c3)CCOCC2)c1 ZINC000920174494 1123403342 /nfs/dbraw/zinc/40/33/42/1123403342.db2.gz NPKCOCFYGVULID-CIAFOILYSA-N -1 0 374.824 4.121 20 30 FIEDRM Cc1ccc(OCc2nc(C=NNc3ccccc3C(=O)[O-])cs2)cc1 ZINC000920369537 1123448179 /nfs/dbraw/zinc/44/81/79/1123448179.db2.gz ZCORCUIGQKNOGJ-UHFFFAOYSA-N -1 0 367.430 4.175 20 30 FIEDRM CCN(CCO)c1ccc(N=Cc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000920945718 1123540291 /nfs/dbraw/zinc/54/02/91/1123540291.db2.gz BIZCKUXFUVMVFH-UHFFFAOYSA-N -1 0 353.249 4.268 20 30 FIEDRM O=C([O-])Cc1ccc(C(=O)/C=C\c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000921268607 1123608681 /nfs/dbraw/zinc/60/86/81/1123608681.db2.gz CDAZLZTXMDPXLD-YHYXMXQVSA-N -1 0 364.319 4.151 20 30 FIEDRM COc1cccc(N=c2[n-]nc(S[C@H](C#N)C3CCCCC3)s2)c1 ZINC000609648408 1123780950 /nfs/dbraw/zinc/78/09/50/1123780950.db2.gz DGXMGOFRXCHYQC-OAHLLOKOSA-N -1 0 360.508 4.277 20 30 FIEDRM O=C(CCCc1cccs1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000064695920 1123920859 /nfs/dbraw/zinc/92/08/59/1123920859.db2.gz CCCSUGBBUXBWGB-UHFFFAOYSA-N -1 0 361.847 4.209 20 30 FIEDRM CC(C)c1cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)nn1C ZINC000080281881 1123961158 /nfs/dbraw/zinc/96/11/58/1123961158.db2.gz UVZAJTYHJFLSFH-NSHDSACASA-N -1 0 358.854 4.297 20 30 FIEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1cnc2ccc(F)cc2c1 ZINC000179588638 1124008586 /nfs/dbraw/zinc/00/85/86/1124008586.db2.gz XDGKISKEWMXNOQ-KRWDZBQOSA-N -1 0 371.371 4.369 20 30 FIEDRM CCc1noc(C)c1C([O-])=C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000068349270 1124190195 /nfs/dbraw/zinc/19/01/95/1124190195.db2.gz CVKIWTVELQHEKL-SNVBAGLBSA-N -1 0 373.384 4.437 20 30 FIEDRM CC(C)CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000069283903 1124719412 /nfs/dbraw/zinc/71/94/12/1124719412.db2.gz QAOHWGVHZBMUIA-SNVBAGLBSA-N -1 0 368.282 4.090 20 30 FIEDRM CC(C)(C)c1cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)n[nH]1 ZINC000076552672 1125000923 /nfs/dbraw/zinc/00/09/23/1125000923.db2.gz WAPDUDDYNPDSGA-CYBMUJFWSA-N -1 0 350.447 4.321 20 30 FIEDRM Cc1nc2c(cccc2C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)o1 ZINC000672582096 1125188488 /nfs/dbraw/zinc/18/84/88/1125188488.db2.gz XBAXBTNLXBSGJS-CQSZACIVSA-N -1 0 360.398 4.145 20 30 FIEDRM CSc1[n-]c(=O)c(C(=O)Nc2ncc(C3CCCCC3)s2)cc1C#N ZINC000542990386 1125224091 /nfs/dbraw/zinc/22/40/91/1125224091.db2.gz YIMLFBNTPPRZLB-UHFFFAOYSA-N -1 0 374.491 4.137 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cnn1C(C)C ZINC000092695317 1125236152 /nfs/dbraw/zinc/23/61/52/1125236152.db2.gz MCLGBKHVCIJWCF-HNNXBMFYSA-N -1 0 350.447 4.386 20 30 FIEDRM CCCCS(=O)(=O)[N-]C(=O)CCc1cccc(OC2CCCC2)c1 ZINC000070030923 1125244000 /nfs/dbraw/zinc/24/40/00/1125244000.db2.gz NEIXMDSUQMFLFR-UHFFFAOYSA-N -1 0 353.484 4.027 20 30 FIEDRM N#Cc1ccc2c(c1)CC[C@H]2N=c1[n-]nc(-c2ccccc2Cl)s1 ZINC000618693227 1125247467 /nfs/dbraw/zinc/24/74/67/1125247467.db2.gz CEQLMMPRONQUPA-MRXNPFEDSA-N -1 0 352.850 4.251 20 30 FIEDRM Cc1[n-]n(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)c1CCC#N ZINC000601940105 567881331 /nfs/dbraw/zinc/88/13/31/567881331.db2.gz RHOYRAIUNNXRKZ-LBPRGKRZSA-N -1 0 363.261 4.367 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)nn1C(C)(C)C ZINC000051656470 568139928 /nfs/dbraw/zinc/13/99/28/568139928.db2.gz RTWBDFZHQJIXFN-GFCCVEGCSA-N -1 0 371.391 4.181 20 30 FIEDRM COc1ccc2nc(C3CC3)cc(C([O-])=C(C#N)c3nc(C)cs3)c2c1 ZINC000152002592 568279311 /nfs/dbraw/zinc/27/93/11/568279311.db2.gz YWVRLKMQNCSRLA-INIZCTEOSA-N -1 0 363.442 4.376 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc3ccc(F)cc3s2)n1 ZINC000604433384 568286695 /nfs/dbraw/zinc/28/66/95/568286695.db2.gz QBHOCPAZTIYOIQ-NSHDSACASA-N -1 0 374.418 4.164 20 30 FIEDRM CSc1[n-]c(=O)c(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1C#N ZINC000031939887 568343683 /nfs/dbraw/zinc/34/36/83/568343683.db2.gz KATONPMQRXDHRW-OAHLLOKOSA-N -1 0 373.865 4.011 20 30 FIEDRM CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2)c2ccccc12 ZINC000032586035 568392581 /nfs/dbraw/zinc/39/25/81/568392581.db2.gz FOHAUDQUAURTIK-UHFFFAOYSA-N -1 0 366.442 4.299 20 30 FIEDRM CC[C@H](C)Sc1ccc(NC(=O)c2[n-]c(=O)c(C#N)cc2C)c(C)c1 ZINC001626067411 1125488422 /nfs/dbraw/zinc/48/84/22/1125488422.db2.gz MIAJUDCISABKHA-ZDUSSCGKSA-N -1 0 355.463 4.419 20 30 FIEDRM CC(C)(C)n1ccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)n1 ZINC000654970652 1079785508 /nfs/dbraw/zinc/78/55/08/1079785508.db2.gz BKBRQTCAEVTZMG-CQSZACIVSA-N -1 0 350.447 4.252 20 30 FIEDRM O=C([O-])COc1cccc(C(=O)/C=C/c2cccc(C(F)(F)F)c2)c1 ZINC000008322898 1079990227 /nfs/dbraw/zinc/99/02/27/1079990227.db2.gz BTUJPJMYWCLJSS-BQYQJAHWSA-N -1 0 350.292 4.065 20 30 FIEDRM N#CC(=C([O-])C=CSCc1ccco1)c1nc(-c2ccncc2)cs1 ZINC000254966465 1080105584 /nfs/dbraw/zinc/10/55/84/1080105584.db2.gz DMWMCTOGOQLAHU-HMZQOCAUSA-N -1 0 367.455 4.421 20 30 FIEDRM CCCCCC(C)N=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000748085566 1080222592 /nfs/dbraw/zinc/22/25/92/1080222592.db2.gz HRXWQCUDZMGFAM-UHFFFAOYSA-N -1 0 366.512 4.312 20 30 FIEDRM C=C(C)CN(Cc1ccccc1)C(=O)N=c1[n-]nc(-c2ccsc2)s1 ZINC000471243775 1080566746 /nfs/dbraw/zinc/56/67/46/1080566746.db2.gz ASMNJBLCNRPCIE-UHFFFAOYSA-N -1 0 370.503 4.299 20 30 FIEDRM CCC(=O)Nc1cccc(C([O-])=C(C#N)C(=O)c2c(C)[nH]c3ccccc32)c1 ZINC000121064035 1081338060 /nfs/dbraw/zinc/33/80/60/1081338060.db2.gz SJRRDSSMOZLBPE-QGZVFWFLSA-N -1 0 373.412 4.030 20 30 FIEDRM O=[N+]([O-])c1ccc(CN=Nc2nc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC000748132657 1081473679 /nfs/dbraw/zinc/47/36/79/1081473679.db2.gz XZCOYBXNDQQZBE-UHFFFAOYSA-N -1 0 361.572 4.102 20 30 FIEDRM N#Cc1c(F)cccc1C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000187339312 1081613644 /nfs/dbraw/zinc/61/36/44/1081613644.db2.gz GQYYXIIFDYWESK-UHFFFAOYSA-N -1 0 369.577 4.071 20 30 FIEDRM O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(N2CCCCC2)cc1 ZINC000748149041 1081629990 /nfs/dbraw/zinc/62/99/90/1081629990.db2.gz SOJNBJPCQMDKTB-WZUFQYTHSA-N -1 0 352.390 4.187 20 30 FIEDRM O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(Br)s1 ZINC000748149026 1081710684 /nfs/dbraw/zinc/71/06/84/1081710684.db2.gz SJQZGWMCLOQNCR-DUXPYHPUSA-N -1 0 354.181 4.021 20 30 FIEDRM CSc1ccc2c(c1)CC/C(=C\c1ccc(OCCC(=O)[O-])cc1)C2=O ZINC000748149122 1081710821 /nfs/dbraw/zinc/71/08/21/1081710821.db2.gz ZAMBHNGVWOKGBJ-FOWTUZBSSA-N -1 0 368.454 4.475 20 30 FIEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)c1 ZINC000050204666 1081921574 /nfs/dbraw/zinc/92/15/74/1081921574.db2.gz JZIUKUFXWMYXCI-CVEARBPZSA-N -1 0 363.866 4.406 20 30 FIEDRM O=C([N-]S(=O)(=O)Cc1ccccc1Cl)C1(c2ccccc2)CCC1 ZINC000083791409 1082019111 /nfs/dbraw/zinc/01/91/11/1082019111.db2.gz IKZLUDLJUFCGDK-UHFFFAOYSA-N -1 0 363.866 4.248 20 30 FIEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)s1 ZINC000579782787 1082085554 /nfs/dbraw/zinc/08/55/54/1082085554.db2.gz CEKXIPUTMHDLHJ-UHFFFAOYSA-N -1 0 358.847 4.084 20 30 FIEDRM N#Cc1cc(Nc2ccc(Br)cc2[S-])cc([N+](=O)[O-])c1 ZINC001211334920 1082146348 /nfs/dbraw/zinc/14/63/48/1082146348.db2.gz ZJZDBCPUDULNMB-UHFFFAOYSA-N -1 0 350.197 4.261 20 30 FIEDRM COCc1nc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)co1 ZINC000548137399 1082167921 /nfs/dbraw/zinc/16/79/21/1082167921.db2.gz PHOHTQXQMCHSAP-GFCCVEGCSA-N -1 0 373.821 4.088 20 30 FIEDRM CCCOc1nc(C)ccc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430599041 1082560612 /nfs/dbraw/zinc/56/06/12/1082560612.db2.gz PNVOHGYHCVVIHR-CQSZACIVSA-N -1 0 357.479 4.423 20 30 FIEDRM C=CCCn1cc(/C=C(/CCCC(=O)[O-])c2nc3ccccc3s2)nn1 ZINC000656613111 1082625408 /nfs/dbraw/zinc/62/54/08/1082625408.db2.gz RXGZYJKFLZWXNX-OWBHPGMISA-N -1 0 368.462 4.259 20 30 FIEDRM Cc1ccc(-c2cc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)n[nH]2)o1 ZINC000430627138 1082755583 /nfs/dbraw/zinc/75/55/83/1082755583.db2.gz SVMDWHOWLSYKAG-NSHDSACASA-N -1 0 354.435 4.222 20 30 FIEDRM Cc1ccc(C(=O)CCC(=O)[N-]S(=O)(=O)[C@@H](C)c2ccccc2)s1 ZINC000077880608 1082797888 /nfs/dbraw/zinc/79/78/88/1082797888.db2.gz GGHIEOCMZIGDCD-ZDUSSCGKSA-N -1 0 365.476 4.067 20 30 FIEDRM COc1ccc(-c2n[nH]cc2C([O-])=C(C#N)c2nc3ccccc3s2)cc1 ZINC000155682130 1082866584 /nfs/dbraw/zinc/86/65/84/1082866584.db2.gz GVUSLWDQYUUATA-CQSZACIVSA-N -1 0 374.425 4.185 20 30 FIEDRM Cc1onc(-c2ccncc2)c1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000155810851 1082874144 /nfs/dbraw/zinc/87/41/44/1082874144.db2.gz PSDPORJASIDVFW-CYBMUJFWSA-N -1 0 352.419 4.115 20 30 FIEDRM COCc1nc(C([O-])=C(C#N)c2nc(-c3ccc(C)cc3)cs2)cs1 ZINC000065046570 1083245824 /nfs/dbraw/zinc/24/58/24/1083245824.db2.gz GPTRZAYRPHWEFN-ZDUSSCGKSA-N -1 0 369.471 4.212 20 30 FIEDRM CC(C)Cn1ncc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1C1CC1 ZINC000091865685 1083302460 /nfs/dbraw/zinc/30/24/60/1083302460.db2.gz PCHWKDFDHVTMKM-CQSZACIVSA-N -1 0 356.495 4.486 20 30 FIEDRM N#CCCC[C@H](NC(=O)CC1(C(=O)[O-])CCCCCC1)c1ccccc1 ZINC000431153877 1083357093 /nfs/dbraw/zinc/35/70/93/1083357093.db2.gz WQUPDSMVXISPAC-SFHVURJKSA-N -1 0 356.466 4.353 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)nn1-c1ccc(F)cc1 ZINC000647379008 1083369045 /nfs/dbraw/zinc/36/90/45/1083369045.db2.gz URKRHYOIVZDGMF-HNNXBMFYSA-N -1 0 366.421 4.144 20 30 FIEDRM Cc1nc([C@@H]2CCCOC2)sc1C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000647379822 1083376149 /nfs/dbraw/zinc/37/61/49/1083376149.db2.gz PLCNXMYNIKCJOW-CHWSQXEVSA-N -1 0 373.503 4.170 20 30 FIEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)C2(c3cccc(C)c3)CC2)cc1 ZINC000066003288 1083945086 /nfs/dbraw/zinc/94/50/86/1083945086.db2.gz FUHGXSHWZHVLFY-UHFFFAOYSA-N -1 0 357.475 4.325 20 30 FIEDRM CCN1Cc2c(C(=O)[O-])c3ccccc3nc2/C(=C/c2cccc(C#N)c2)C1 ZINC000014177858 1084231565 /nfs/dbraw/zinc/23/15/65/1084231565.db2.gz WTNLOUJEKCWLQJ-GZTJUZNOSA-N -1 0 369.424 4.181 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C[C@H](c2ccccc2)C(C)C)n1 ZINC000728638876 1084356974 /nfs/dbraw/zinc/35/69/74/1084356974.db2.gz NWFYWGMGKVWCRP-DLBZAZTESA-N -1 0 370.474 4.001 20 30 FIEDRM CCc1cc(C#N)c([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)s1 ZINC000580866768 1084491204 /nfs/dbraw/zinc/49/12/04/1084491204.db2.gz NTNVPELKQVTAHF-UHFFFAOYSA-N -1 0 374.409 4.143 20 30 FIEDRM N#CCn1c(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc2ccccc21 ZINC000613245057 1084499520 /nfs/dbraw/zinc/49/95/20/1084499520.db2.gz PFLTVLSCJHKUOF-UHFFFAOYSA-N -1 0 360.200 4.430 20 30 FIEDRM N#Cc1cccc(COc2ccc(NC(=O)c3cccc(F)c3[O-])cc2)c1 ZINC001125814335 1084625029 /nfs/dbraw/zinc/62/50/29/1084625029.db2.gz FDTPJVMVEXZUIS-UHFFFAOYSA-N -1 0 362.360 4.234 20 30 FIEDRM COc1ccc(-c2ncc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)s2)cc1 ZINC000173903511 1084708926 /nfs/dbraw/zinc/70/89/26/1084708926.db2.gz DRCTYYMHWULCPX-AWEZNQCLSA-N -1 0 374.425 4.185 20 30 FIEDRM COc1ccc(OC)c(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)c1 ZINC000120018020 1084809437 /nfs/dbraw/zinc/80/94/37/1084809437.db2.gz ZSBFXSOUXGMFAC-ZDUSSCGKSA-N -1 0 372.833 4.457 20 30 FIEDRM O=C([N-]S(=O)(=O)c1ccccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000048577757 1085001671 /nfs/dbraw/zinc/00/16/71/1085001671.db2.gz IRYYDQOXILXZCS-UHFFFAOYSA-N -1 0 353.871 4.202 20 30 FIEDRM N#CC(=C([O-])c1ccc(-c2nc(C3CC3)no2)cc1)c1nc2ccccc2o1 ZINC000176101373 1085071297 /nfs/dbraw/zinc/07/12/97/1085071297.db2.gz WHOGAJOMXWOWJV-HNNXBMFYSA-N -1 0 370.368 4.245 20 30 FIEDRM CCn1c2ccccc2c2cc(C=CC([O-])=C3C(=O)C=C(C)OC3=O)ccc21 ZINC000003582339 1085128723 /nfs/dbraw/zinc/12/87/23/1085128723.db2.gz LFIQHMMZPFAVTC-CRWWQRIJSA-N -1 0 373.408 4.043 20 30 FIEDRM COc1cc(-n2cccc2)c(Cl)cc1C([O-])=C(C#N)c1nc(C)cs1 ZINC000102115601 1085644547 /nfs/dbraw/zinc/64/45/47/1085644547.db2.gz MJONZZKJPXLXTR-ZDUSSCGKSA-N -1 0 371.849 4.394 20 30 FIEDRM Cc1nccn1-c1ccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2Cl)cc1 ZINC000588559321 1085945813 /nfs/dbraw/zinc/94/58/13/1085945813.db2.gz DGUWQEWPMKWAPZ-YFHOEESVSA-N -1 0 366.804 4.428 20 30 FIEDRM CCc1c(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)ccn1C ZINC000564505972 1085990180 /nfs/dbraw/zinc/99/01/80/1085990180.db2.gz RVPZADRHTULHDJ-LBPRGKRZSA-N -1 0 371.412 4.479 20 30 FIEDRM Cc1cc(-c2nc(C([O-])=C(C#N)c3nc(C(C)C)cs3)co2)ccn1 ZINC000583066475 1086128163 /nfs/dbraw/zinc/12/81/63/1086128163.db2.gz FYTXAXAJUPRPPW-ZDUSSCGKSA-N -1 0 352.419 4.115 20 30 FIEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(-c2ccccn2)cc1 ZINC000583236225 1086442658 /nfs/dbraw/zinc/44/26/58/1086442658.db2.gz QYFZWQVCQYTPOK-UHFFFAOYSA-N -1 0 369.833 4.074 20 30 FIEDRM CCc1c(C)sc(NC(=O)c2c(C)onc2-c2cccnc2)c1C#N ZINC000583715647 1086931148 /nfs/dbraw/zinc/93/11/48/1086931148.db2.gz ROMVALDTWPZYBS-UHFFFAOYSA-N -1 0 352.419 4.101 20 30 FIEDRM CC(C)n1ncc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1C1CC1 ZINC000161899214 1086978531 /nfs/dbraw/zinc/97/85/31/1086978531.db2.gz LUXWMARYXHMFTR-CYBMUJFWSA-N -1 0 362.355 4.245 20 30 FIEDRM CCOC(=O)CCCc1ccc(C#N)cc1Nc1ccc(C)c(C(=O)[O-])c1 ZINC001211608547 1087141015 /nfs/dbraw/zinc/14/10/15/1087141015.db2.gz ZEEPHFLFYAHPLC-UHFFFAOYSA-N -1 0 366.417 4.194 20 30 FIEDRM N#Cc1ccc([O-])c(NC(=O)c2cccc(NC(=O)C3CCCCC3)c2)c1 ZINC000176822942 1087278434 /nfs/dbraw/zinc/27/84/34/1087278434.db2.gz BUUPZQHTQSUEIZ-UHFFFAOYSA-N -1 0 363.417 4.035 20 30 FIEDRM CC(C)(C)c1[n-]n(Cc2ccc(Br)cc2)c(=O)c1CCC#N ZINC000151844494 1087286878 /nfs/dbraw/zinc/28/68/78/1087286878.db2.gz HOIXTDPRNAOIRP-UHFFFAOYSA-N -1 0 362.271 4.153 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2cnc(Oc3ccccc3)cn2)n1 ZINC000091106364 1087425136 /nfs/dbraw/zinc/42/51/36/1087425136.db2.gz JAXMABIWRJFSSA-CQSZACIVSA-N -1 0 364.430 4.339 20 30 FIEDRM CCCN(CCC)c1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc1 ZINC000588611133 1087466311 /nfs/dbraw/zinc/46/63/11/1087466311.db2.gz IYBRDZKNAWTIMZ-SQFISAMPSA-N -1 0 350.466 4.137 20 30 FIEDRM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)CCc1nccs1 ZINC000065763780 1087528203 /nfs/dbraw/zinc/52/82/03/1087528203.db2.gz MCSOHDRUJDKRIE-UHFFFAOYSA-N -1 0 366.508 4.027 20 30 FIEDRM Cc1cccc(OCCCCC(=O)[N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000065763489 1087746634 /nfs/dbraw/zinc/74/66/34/1087746634.db2.gz KGBHBSLVTFYCIU-UHFFFAOYSA-N -1 0 365.426 4.029 20 30 FIEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1cnc(CC2CC2)s1 ZINC000892423429 1087769933 /nfs/dbraw/zinc/76/99/33/1087769933.db2.gz DXTKVVLPFRDCLZ-CQSZACIVSA-N -1 0 363.442 4.091 20 30 FIEDRM N#Cc1ccc(C(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)cc1O ZINC000188913601 1088335829 /nfs/dbraw/zinc/33/58/29/1088335829.db2.gz FNIPLHYEIAFOLZ-UHFFFAOYSA-N -1 0 369.424 4.131 20 30 FIEDRM C[C@@H](Oc1cccc(C(=O)/C=C\c2cc(Cl)cc3c2OCC3)c1)C(=O)[O-] ZINC000782890433 1088506357 /nfs/dbraw/zinc/50/63/57/1088506357.db2.gz YXBYWQUFTUPWMW-FOQNGQEVSA-N -1 0 372.804 4.023 20 30 FIEDRM CC(C)Cn1ccc2cc([N-]S(=O)(=O)c3ccc(C#N)s3)ccc21 ZINC000435493533 1089706095 /nfs/dbraw/zinc/70/60/95/1089706095.db2.gz IWRIJXNRWVKICO-UHFFFAOYSA-N -1 0 359.476 4.031 20 30 FIEDRM COc1ccc2oc(C([O-])=C(C#N)c3nc4ccccc4n3C)c(C)c2c1 ZINC000122644015 1089814880 /nfs/dbraw/zinc/81/48/80/1089814880.db2.gz ILANCYSNKXKOCM-HNNXBMFYSA-N -1 0 359.385 4.127 20 30 FIEDRM CSc1c(F)cccc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000435771715 1089928333 /nfs/dbraw/zinc/92/83/33/1089928333.db2.gz MZMKEIAYXDZAJJ-LLVKDONJSA-N -1 0 354.328 4.451 20 30 FIEDRM Cc1c2cc(Cl)ccc2oc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000041509215 1090231441 /nfs/dbraw/zinc/23/14/41/1090231441.db2.gz VCWBEFDVYCBKBO-CQSZACIVSA-N -1 0 368.824 4.203 20 30 FIEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc4c(s3)CCCCC4)nc1-2 ZINC000330227395 1090557106 /nfs/dbraw/zinc/55/71/06/1090557106.db2.gz BZNHNDKHDMLENJ-CYBMUJFWSA-N -1 0 350.447 4.087 20 30 FIEDRM C=CCc1cc(CNc2ccc(C[C@H](C)C(=O)[O-])cc2)cc(OC)c1O ZINC000417607623 1090937721 /nfs/dbraw/zinc/93/77/21/1090937721.db2.gz GUIRTIUEVPASAE-AWEZNQCLSA-N -1 0 355.434 4.005 20 30 FIEDRM N#CC(=C([O-])c1c[nH]c(C(F)(F)F)c1)c1nc2cc(F)ccc2s1 ZINC000644786664 1091005008 /nfs/dbraw/zinc/00/50/08/1091005008.db2.gz NMFQUHLXFSYKGS-SECBINFHSA-N -1 0 353.300 4.272 20 30 FIEDRM CCn1nccc1C([O-])=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000123686093 1091201574 /nfs/dbraw/zinc/20/15/74/1091201574.db2.gz QRXQHTMKZSAZLV-CYBMUJFWSA-N -1 0 356.838 4.170 20 30 FIEDRM N#Cc1cc(Cl)c(-c2noc(-c3cc(Cl)ncc3[O-])n2)cc1Cl ZINC001213942259 1092188646 /nfs/dbraw/zinc/18/86/46/1092188646.db2.gz NHBMTFPNWRBZRV-UHFFFAOYSA-N -1 0 367.579 4.336 20 30 FIEDRM COc1ccc(CCN(CC(C)(C)C)C(=O)c2ccc(C#N)c(O)c2)cc1 ZINC000442977522 1092884781 /nfs/dbraw/zinc/88/47/81/1092884781.db2.gz AOHFUIFYZYXAJK-UHFFFAOYSA-N -1 0 366.461 4.003 20 30 FIEDRM CCOc1ccc(-c2csc(NC(=O)c3ccc(C#N)c([O-])c3)n2)cc1 ZINC000442984121 1092906081 /nfs/dbraw/zinc/90/60/81/1092906081.db2.gz ROEAOJKFSFIWSL-UHFFFAOYSA-N -1 0 365.414 4.038 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)cc1[O-] ZINC000443123593 1092954611 /nfs/dbraw/zinc/95/46/11/1092954611.db2.gz MOZIOMGMWDBMLN-UHFFFAOYSA-N -1 0 356.381 4.118 20 30 FIEDRM N#Cc1cc(O)cc(C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)c1 ZINC000614302643 1093364747 /nfs/dbraw/zinc/36/47/47/1093364747.db2.gz RYUQUQLIIHPJLR-UHFFFAOYSA-N -1 0 357.580 4.182 20 30 FIEDRM Cc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000473487141 1093549412 /nfs/dbraw/zinc/54/94/12/1093549412.db2.gz GNFCFSASWXCDOR-HNNXBMFYSA-N -1 0 358.426 4.281 20 30 FIEDRM N#CC(=C([O-])c1ccc(C(F)(F)F)cn1)c1nc(-c2ccncc2)cs1 ZINC000512943077 1093583228 /nfs/dbraw/zinc/58/32/28/1093583228.db2.gz KDSYGPJUCOZIPA-GFCCVEGCSA-N -1 0 374.347 4.109 20 30 FIEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccccc1S[C@@H](C)CC#N ZINC000114674170 1093670529 /nfs/dbraw/zinc/67/05/29/1093670529.db2.gz OYMQYSVLHGWHEP-AWEZNQCLSA-N -1 0 371.487 4.062 20 30 FIEDRM COc1ccc2oc(C(=O)/C=C/c3ccc(OCC(=O)[O-])cc3)c(C)c2c1 ZINC000729149413 1093934973 /nfs/dbraw/zinc/93/49/73/1093934973.db2.gz DXPSGTJDVWRTQX-WEVVVXLNSA-N -1 0 366.369 4.109 20 30 FIEDRM N#CC(=C([O-])c1ccn(-c2ccccc2F)n1)c1nc2ccccc2s1 ZINC000513659658 1094270260 /nfs/dbraw/zinc/27/02/60/1094270260.db2.gz GGKQHXUQTVEPRI-LBPRGKRZSA-N -1 0 362.389 4.111 20 30 FIEDRM N#CC(=C([O-])c1csc(-c2cccs2)n1)c1nc2ccccc2[nH]1 ZINC000041495897 1094620346 /nfs/dbraw/zinc/62/03/46/1094620346.db2.gz FBRYLPVATJUYMZ-SNVBAGLBSA-N -1 0 350.428 4.238 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2csc(-c3ccc(F)c(F)c3)n2)n1 ZINC000182558605 1094787999 /nfs/dbraw/zinc/78/79/99/1094787999.db2.gz QLNBAYBXRYBIHQ-SNVBAGLBSA-N -1 0 361.398 4.343 20 30 FIEDRM CC1(C)CC[C@@H]2C[C@H](NC(=O)c3cccn4c([O-])nnc34)c3cccc1c32 ZINC000329341258 1094851898 /nfs/dbraw/zinc/85/18/98/1094851898.db2.gz OUJYLGOGYHDWSP-WBMJQRKESA-N -1 0 362.433 4.040 20 30 FIEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc4c(s3)CCCCCC4)nc1-2 ZINC000330262931 1095439686 /nfs/dbraw/zinc/43/96/86/1095439686.db2.gz VVYJLWPVKITUIF-CQSZACIVSA-N -1 0 364.474 4.477 20 30 FIEDRM CCCCN(C(=O)c1cc(C#N)c(SC)[n-]c1=O)[C@@H]1CCC[C@@H](C)C1 ZINC000516035689 1099133484 /nfs/dbraw/zinc/13/34/84/1099133484.db2.gz LMNPGZSFVCVVCD-UKRRQHHQSA-N -1 0 361.511 4.202 20 30 FIEDRM CCCCN(C(=O)c1cc(C#N)c(SC)[n-]c1=O)[C@@H]1CCC[C@H](C)C1 ZINC000516035687 1099133677 /nfs/dbraw/zinc/13/36/77/1099133677.db2.gz LMNPGZSFVCVVCD-DZGCQCFKSA-N -1 0 361.511 4.202 20 30 FIEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(C(F)(F)F)cc1O ZINC000436776250 1099298847 /nfs/dbraw/zinc/29/88/47/1099298847.db2.gz JTAAFOIOQZGVJC-UHFFFAOYSA-N -1 0 365.351 4.248 20 30 FIEDRM N#Cc1cccc(-c2csc(NC(=O)c3cc(F)c([O-])c(Cl)c3)n2)c1 ZINC000436963135 1099462098 /nfs/dbraw/zinc/46/20/98/1099462098.db2.gz JUOGKYYDMIZJEF-UHFFFAOYSA-N -1 0 373.796 4.432 20 30 FIEDRM O=C([N-]S(=O)(=O)C=Cc1ccccc1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000048531207 1100933391 /nfs/dbraw/zinc/93/33/91/1100933391.db2.gz ADXQGRXAXPYWCA-HOQBHHMFSA-N -1 0 361.385 4.312 20 30 FIEDRM CO[C@H](C)c1nc(=Nc2ccc(Oc3ccccc3C#N)c(F)c2)s[n-]1 ZINC000509548164 1100934472 /nfs/dbraw/zinc/93/44/72/1100934472.db2.gz FFGDLKRZQGYDME-LLVKDONJSA-N -1 0 370.409 4.214 20 30 FIEDRM Cc1cc(C=O)c([O-])c(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c1 ZINC001625956348 1101345580 /nfs/dbraw/zinc/34/55/80/1101345580.db2.gz FMSQYGJLAFMTGK-UHFFFAOYSA-N -1 0 372.380 4.429 20 30 FIEDRM C=CC1CCN(C(=O)c2ccccc2SCc2occc2C(=O)[O-])CC1 ZINC000262865277 1101346217 /nfs/dbraw/zinc/34/62/17/1101346217.db2.gz UNYKIJCQZIBELB-UHFFFAOYSA-N -1 0 371.458 4.308 20 30 FIEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000039973405 1101346811 /nfs/dbraw/zinc/34/68/11/1101346811.db2.gz FZKBWLLAKJMRCL-UHFFFAOYSA-N -1 0 361.637 4.319 20 30 FIEDRM COc1cc(F)c(C(C)=NNc2ccc(Cl)c(C(=O)[O-])c2)cc1OC ZINC000760219604 1101817717 /nfs/dbraw/zinc/81/77/17/1101817717.db2.gz NMHVADDLWVAEJW-UHFFFAOYSA-N -1 0 366.776 4.031 20 30 FIEDRM N#CCc1ccccc1S(=O)(=O)[N-]c1ccccc1-c1cccs1 ZINC000475794466 1101851423 /nfs/dbraw/zinc/85/14/23/1101851423.db2.gz UQQDLYVTVJLJEB-UHFFFAOYSA-N -1 0 354.456 4.282 20 30 FIEDRM C[C@@H](/N=C\c1cc(Br)cc(Br)c1[O-])c1ccc[nH]1 ZINC000760229067 1101886991 /nfs/dbraw/zinc/88/69/91/1101886991.db2.gz OERHEONYNRRQEK-SOOKCDIPSA-N -1 0 372.060 4.425 20 30 FIEDRM N#CCCCOc1cccc([N-]S(=O)(=O)c2csc3ccccc32)c1 ZINC000506722303 1101912306 /nfs/dbraw/zinc/91/23/06/1101912306.db2.gz SDTWFOQVRKERIQ-UHFFFAOYSA-N -1 0 372.471 4.385 20 30 FIEDRM Cc1ocnc1C([O-])=C(C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000519248909 1102043335 /nfs/dbraw/zinc/04/33/35/1102043335.db2.gz MTVHOJAUJWNUMI-NSOUWEPUSA-N -1 0 367.474 4.397 20 30 FIEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000440280811 1102166978 /nfs/dbraw/zinc/16/69/78/1102166978.db2.gz JEVWLJUSPDDLMW-UHFFFAOYSA-N -1 0 372.833 4.174 20 30 FIEDRM Cc1cc(/C=C\C(=O)c2ccc(OCCCC(=O)[O-])cc2)cnc1Cl ZINC000760262640 1102414509 /nfs/dbraw/zinc/41/45/09/1102414509.db2.gz KTLLNKOLHQNNNJ-WTKPLQERSA-N -1 0 359.809 4.183 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2NC(=O)c2ccsc2)n1 ZINC000048787667 1102437190 /nfs/dbraw/zinc/43/71/90/1102437190.db2.gz YGYIEZYYKBJTEZ-CQSZACIVSA-N -1 0 367.455 4.255 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cc(C(C)C)n(-c3ccccc3)n2)n1 ZINC000121863803 1102463797 /nfs/dbraw/zinc/46/37/97/1102463797.db2.gz HRMIQWVUCCNAIQ-HNNXBMFYSA-N -1 0 350.447 4.251 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cnn(-c3cc(C)ccc3C)c2C)n1 ZINC000121863529 1102463809 /nfs/dbraw/zinc/46/38/09/1102463809.db2.gz ANJUMGYQTWPVTM-OAHLLOKOSA-N -1 0 350.447 4.053 20 30 FIEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cnc(-c2ccccc2)s1 ZINC000123022045 1102747120 /nfs/dbraw/zinc/74/71/20/1102747120.db2.gz UMNIRCRMNZIMOY-AWEZNQCLSA-N -1 0 358.426 4.187 20 30 FIEDRM C=CCN(Cc1ccccc1)C(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000473829141 1102875845 /nfs/dbraw/zinc/87/58/45/1102875845.db2.gz MVKASPJEZMVQMX-UHFFFAOYSA-N -1 0 370.503 4.217 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cc(Br)co2)s1 ZINC000459347081 1102876379 /nfs/dbraw/zinc/87/63/79/1102876379.db2.gz KMLHLONTJDTZNJ-SECBINFHSA-N -1 0 353.241 4.286 20 30 FIEDRM Cc1c2cc(Br)cc(C)c2oc1C([O-])=C(C#N)c1ccncn1 ZINC000426914192 1103087926 /nfs/dbraw/zinc/08/79/26/1103087926.db2.gz NRQUNWANYAQULR-ZDUSSCGKSA-N -1 0 370.206 4.092 20 30 FIEDRM CCc1ccc(C(=O)[O-])cc1NCc1ccc(OC)c(OCCCC#N)c1 ZINC000551420499 1103203641 /nfs/dbraw/zinc/20/36/41/1103203641.db2.gz BDTNOOMCXSPVCT-UHFFFAOYSA-N -1 0 368.433 4.250 20 30 FIEDRM CCc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)ccc1F ZINC000507545685 1103488430 /nfs/dbraw/zinc/48/84/30/1103488430.db2.gz DYVKAKHIXAXGKS-UHFFFAOYSA-N -1 0 372.343 4.079 20 30 FIEDRM CCc1nc(C)c(C([O-])=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)o1 ZINC000551802006 1103650226 /nfs/dbraw/zinc/65/02/26/1103650226.db2.gz MGMJNWFOXWDIOR-AWEZNQCLSA-N -1 0 367.430 4.168 20 30 FIEDRM Cc1nc(-c2cccc([N-]S(=O)(=O)c3cccc(C)c3C#N)c2)cs1 ZINC000441358571 1104296496 /nfs/dbraw/zinc/29/64/96/1104296496.db2.gz AZMIWUDUZOLSJM-UHFFFAOYSA-N -1 0 369.471 4.099 20 30 FIEDRM N#CC(=C([O-])c1cnc(-c2ccsc2)s1)c1nc2ccccc2[nH]1 ZINC000112483419 1104362376 /nfs/dbraw/zinc/36/23/76/1104362376.db2.gz CNKVFUBFQIYFIB-LLVKDONJSA-N -1 0 350.428 4.238 20 30 FIEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cnc(-c2ccsc2)s1 ZINC000112483395 1104362493 /nfs/dbraw/zinc/36/24/93/1104362493.db2.gz OEZBRAWAAVSYRD-GFCCVEGCSA-N -1 0 364.455 4.248 20 30 FIEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(-c2ccccc2)cnc1C ZINC000536303070 1104637665 /nfs/dbraw/zinc/63/76/65/1104637665.db2.gz TZNCCKAEVRRDQM-UHFFFAOYSA-N -1 0 363.442 4.038 20 30 FIEDRM C=C[C@@H](CC(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-])c1ccccc1 ZINC000190667130 1104985661 /nfs/dbraw/zinc/98/56/61/1104985661.db2.gz ZIFPFJSMSSPBPM-MJGOQNOKSA-N -1 0 351.446 4.096 20 30 FIEDRM N#CC(=C([O-])c1ccc(-c2ccccc2C(F)(F)F)o1)c1ccncn1 ZINC000475518274 1107669600 /nfs/dbraw/zinc/66/96/00/1107669600.db2.gz ACLCSNUYKZPOJH-LBPRGKRZSA-N -1 0 357.291 4.245 20 30 FIEDRM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000609984503 1107848719 /nfs/dbraw/zinc/84/87/19/1107848719.db2.gz JILRNUPVEODKQG-UHFFFAOYSA-N -1 0 368.380 4.249 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc(NC(=O)C(C)(C)C)nc2)n1 ZINC000453698930 1108690016 /nfs/dbraw/zinc/69/00/16/1108690016.db2.gz RWEJRVMDSAKVKM-CYBMUJFWSA-N -1 0 370.478 4.136 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cccc(C(F)(F)F)n2)s1 ZINC000453785142 1108736102 /nfs/dbraw/zinc/73/61/02/1108736102.db2.gz ZJAWUFWZJJGFJH-VIFPVBQESA-N -1 0 353.369 4.344 20 30 FIEDRM CCSc1cccnc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000453793077 1108740738 /nfs/dbraw/zinc/74/07/38/1108740738.db2.gz LHEPSRMZVYLYAQ-NSHDSACASA-N -1 0 351.353 4.097 20 30 FIEDRM N#C[C@H](Sc1n[n-]c(=NCCc2cccs2)s1)C1CCCCC1 ZINC000524534548 1109067739 /nfs/dbraw/zinc/06/77/39/1109067739.db2.gz AJRZQXMVNNTURE-AWEZNQCLSA-N -1 0 364.565 4.241 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc(OCC(F)(F)F)cn2)n1 ZINC000447608742 1109601443 /nfs/dbraw/zinc/60/14/43/1109601443.db2.gz HBXGXVRTUAGKSC-LLVKDONJSA-N -1 0 369.368 4.093 20 30 FIEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ncsc1-c1ccccc1 ZINC000526109165 1109623483 /nfs/dbraw/zinc/62/34/83/1109623483.db2.gz WNSPGQJGVYPJLJ-CQSZACIVSA-N -1 0 358.426 4.187 20 30 FIEDRM N#Cc1ccc(CSc2n[n-]c(=NCc3cccc(Cl)c3)s2)cc1 ZINC000447950846 1109679858 /nfs/dbraw/zinc/67/98/58/1109679858.db2.gz CBWSXQRXZFSXOL-UHFFFAOYSA-N -1 0 372.906 4.389 20 30 FIEDRM Cc1ccc(-c2nn(C)cc2C([O-])=C(C#N)c2nc(C(C)C)cs2)o1 ZINC000528966055 1110161020 /nfs/dbraw/zinc/16/10/20/1110161020.db2.gz GJCQYAPXOLMXDS-GFCCVEGCSA-N -1 0 354.435 4.059 20 30 FIEDRM Cc1ccc(-c2nn(C)cc2C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)o1 ZINC000529007378 1110175319 /nfs/dbraw/zinc/17/53/19/1110175319.db2.gz FGLDWNSOKSUMSY-LBPRGKRZSA-N -1 0 368.462 4.233 20 30 FIEDRM Cc1nc(-c2ccccc2C)sc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000477829819 1111576004 /nfs/dbraw/zinc/57/60/04/1111576004.db2.gz KXWWMXARQFJIGG-INIZCTEOSA-N -1 0 362.458 4.324 20 30 FIEDRM Cc1oc(C(C)C)nc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000552227605 1111625474 /nfs/dbraw/zinc/62/54/74/1111625474.db2.gz PVYFBLQMPONEFU-LLVKDONJSA-N -1 0 358.348 4.341 20 30 FIEDRM Cn1nc2ccccc2c1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000478099786 1111684350 /nfs/dbraw/zinc/68/43/50/1111684350.db2.gz FBEVMLNCYZSBKF-GFCCVEGCSA-N -1 0 366.833 4.326 20 30 FIEDRM CC(C)(C)c1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1O ZINC000479544855 1112063664 /nfs/dbraw/zinc/06/36/64/1112063664.db2.gz NKKIMRPLWQJNTN-UHFFFAOYSA-N -1 0 364.854 4.016 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cccnc2OCc2ccccc2F)n1 ZINC000482563887 1113296815 /nfs/dbraw/zinc/29/68/15/1113296815.db2.gz JBVWSXPGVNFDJV-HNNXBMFYSA-N -1 0 367.405 4.055 20 30 FIEDRM N#CC(=C([O-])c1coc(-c2ccccc2Cl)n1)c1cnc2ccccc2n1 ZINC000483189260 1113463616 /nfs/dbraw/zinc/46/36/16/1113463616.db2.gz BTHQEAZYVHCAOI-CYBMUJFWSA-N -1 0 374.787 4.428 20 30 FIEDRM Cc1ccc2nc(C)c(C([O-])=C(C#N)c3cnc4ccccc4n3)cc2c1 ZINC000483189755 1113464047 /nfs/dbraw/zinc/46/40/47/1113464047.db2.gz CKRZXVXAXHAJAU-KRWDZBQOSA-N -1 0 352.397 4.285 20 30 FIEDRM COc1ccc(-c2n[nH]cc2C([O-])=C(C#N)c2nccc3ccccc32)cc1 ZINC000483214219 1113466682 /nfs/dbraw/zinc/46/66/82/1113466682.db2.gz XCZUVIWCPODGLV-SFHVURJKSA-N -1 0 368.396 4.124 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nccc3ccccc32)nn1-c1cccc(F)c1 ZINC000483239340 1113469392 /nfs/dbraw/zinc/46/93/92/1113469392.db2.gz SBLJZKAGNWQDHP-LJQANCHMSA-N -1 0 370.387 4.358 20 30 FIEDRM N#Cc1cc(F)ccc1CSc1n[n-]c(=Nc2ccccc2F)s1 ZINC000483274070 1113478382 /nfs/dbraw/zinc/47/83/82/1113478382.db2.gz XZULYFHLHAWBMA-UHFFFAOYSA-N -1 0 360.414 4.146 20 30 FIEDRM C=CCOc1ccc(/C=C/c2nc(C(=O)[O-])c(Br)s2)cc1 ZINC000486025133 1113490602 /nfs/dbraw/zinc/49/06/02/1113490602.db2.gz IGSOPTGZAYGKQV-VMPITWQZSA-N -1 0 366.236 4.339 20 30 FIEDRM COc1cc(C)cnc1C([O-])=C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000488192939 1113872331 /nfs/dbraw/zinc/87/23/31/1113872331.db2.gz MCGLRHSFHMHFAN-OAHLLOKOSA-N -1 0 363.442 4.321 20 30 FIEDRM CCCCCOc1cc(/C=C/c2nc(C(=O)[O-])ccc2C#N)ccc1OC ZINC000489061882 1114043926 /nfs/dbraw/zinc/04/39/26/1114043926.db2.gz CGIFMENXRXPEOX-RMKNXTFCSA-N -1 0 366.417 4.399 20 30 FIEDRM COc1ccc(/C=C/C(=O)c2cc(F)ccc2[O-])cc1OCCCC#N ZINC000156670642 1114489060 /nfs/dbraw/zinc/48/90/60/1114489060.db2.gz OLALCGRTGJDMQB-QPJJXVBHSA-N -1 0 355.365 4.119 20 30 FIEDRM N#Cc1ccccc1Oc1ccc(NC(=O)CC2(CC(=O)[O-])CCC2)cc1 ZINC000591531571 1115098338 /nfs/dbraw/zinc/09/83/38/1115098338.db2.gz ZFWYOEHLFKGDGM-UHFFFAOYSA-N -1 0 364.401 4.324 20 30 FIEDRM Cc1oc(C(C)C)nc1C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000573390423 1115104531 /nfs/dbraw/zinc/10/45/31/1115104531.db2.gz BQHLZVYEOUHNOB-CYBMUJFWSA-N -1 0 352.419 4.115 20 30 FIEDRM N#CCn1c(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cc2ccccc21 ZINC000592973546 1115272396 /nfs/dbraw/zinc/27/23/96/1115272396.db2.gz AMDYWKMGCPJPTL-CQSZACIVSA-N -1 0 374.400 4.404 20 30 FIEDRM N#CC(=C([O-])c1cnc(-c2ccccc2)nc1)c1nc2cc(F)ccc2s1 ZINC000592973908 1115272717 /nfs/dbraw/zinc/27/27/17/1115272717.db2.gz KTCLKVMVJNWSOX-OAHLLOKOSA-N -1 0 374.400 4.382 20 30 FIEDRM C=CCOc1ccccc1C([O-])=C(C#N)c1nc2cc(F)ccc2s1 ZINC000592973824 1115272756 /nfs/dbraw/zinc/27/27/56/1115272756.db2.gz IPGDVIXNQWCCSZ-CQSZACIVSA-N -1 0 352.390 4.490 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)oc2c1C(=O)CCC2 ZINC000592974601 1115272797 /nfs/dbraw/zinc/27/27/97/1115272797.db2.gz VEAKJMUTWGGNGG-LLVKDONJSA-N -1 0 368.389 4.346 20 30 FIEDRM CC(C)n1ncc2c1nc(/C=C/c1ccc(C3(C#N)CC3)cc1)cc2C(=O)[O-] ZINC000594696241 1115479872 /nfs/dbraw/zinc/47/98/72/1115479872.db2.gz MSXVJSJETRTUJS-VMPITWQZSA-N -1 0 372.428 4.436 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCSc2ccc(Cl)cc2)cc1 ZINC000046927455 1115549015 /nfs/dbraw/zinc/54/90/15/1115549015.db2.gz UHNXYFBKCLETAE-UHFFFAOYSA-N -1 0 369.895 4.476 20 30 FIEDRM Cc1ccc(SCCC(=O)[N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000046929285 1115549406 /nfs/dbraw/zinc/54/94/06/1115549406.db2.gz HZANKXCDCPONKA-UHFFFAOYSA-N -1 0 363.504 4.439 20 30 FIEDRM CC(C)(C)c1[n-]n(CCc2nsc3ccccc23)c(=O)c1CCC#N ZINC000596260587 1115582140 /nfs/dbraw/zinc/58/21/40/1115582140.db2.gz LLADCBZGGXARDF-UHFFFAOYSA-N -1 0 354.479 4.195 20 30 FIEDRM CCC(CC)CN(CCC#N)C(=O)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000597159241 1115645332 /nfs/dbraw/zinc/64/53/32/1115645332.db2.gz JSQOPOZMEZZTJB-UHFFFAOYSA-N -1 0 374.872 4.023 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C2(c3ccc(Cl)cc3)CC2)c(C)c1 ZINC000060498616 1115651424 /nfs/dbraw/zinc/65/14/24/1115651424.db2.gz PWWYCCNQDHWPMG-UHFFFAOYSA-N -1 0 363.866 4.334 20 30 FIEDRM COc1ccccc1C(C)=CC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000171362796 1115863821 /nfs/dbraw/zinc/86/38/21/1115863821.db2.gz OWPXDDHLYXOCON-SZEUEKNRSA-N -1 0 372.424 4.480 20 30 FIEDRM CCc1ccc(-c2ccc(C([O-])=C(C#N)C(=O)NCc3ccccc3)o2)cc1 ZINC000173956550 1116101566 /nfs/dbraw/zinc/10/15/66/1116101566.db2.gz GDAAEYPTJOOPME-IBGZPJMESA-N -1 0 372.424 4.148 20 30 FIEDRM Cc1ccc(C)c(OCCCn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)c1 ZINC000534632583 1116221307 /nfs/dbraw/zinc/22/13/07/1116221307.db2.gz GDAHSLABZFFVBB-UHFFFAOYSA-N -1 0 355.482 4.428 20 30 FIEDRM Cc1ccc(Cc2cnc(NC(=O)c3ccc(C#N)c([O-])c3)s2)cc1C ZINC000442738203 1116297431 /nfs/dbraw/zinc/29/74/31/1116297431.db2.gz OGLYQDCRZILBIC-UHFFFAOYSA-N -1 0 363.442 4.180 20 30 FIEDRM CC(C)(C)c1ccc(C(=O)N=c2[n-]n(C(C)(C)C)cc2C#N)cc1Cl ZINC000464094144 1118437499 /nfs/dbraw/zinc/43/74/99/1118437499.db2.gz GGJFVEZBTQFZKT-UHFFFAOYSA-N -1 0 358.873 4.135 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(-c3ccccc3)o2)n1 ZINC000541356292 1118489117 /nfs/dbraw/zinc/48/91/17/1118489117.db2.gz YUAOTKWUOFFJGJ-CYBMUJFWSA-N -1 0 366.398 4.070 20 30 FIEDRM CC(C)n1ncc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1C1CC1 ZINC000464397053 1118544735 /nfs/dbraw/zinc/54/47/35/1118544735.db2.gz GSFWAJYNOJEBIM-CYBMUJFWSA-N -1 0 362.355 4.245 20 30 FIEDRM Cc1cc(Br)oc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464468000 1118573098 /nfs/dbraw/zinc/57/30/98/1118573098.db2.gz ORDPETVEENOQRJ-VIFPVBQESA-N -1 0 373.128 4.254 20 30 FIEDRM CC(C)Cc1nc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cs1 ZINC000464469973 1118573471 /nfs/dbraw/zinc/57/34/71/1118573471.db2.gz UWPGABGRBAHBKQ-LLVKDONJSA-N -1 0 353.369 4.245 20 30 FIEDRM N#CC(=C([O-])c1cncc(F)c1)c1nc(-c2c(F)cccc2F)cs1 ZINC000151879285 1118997100 /nfs/dbraw/zinc/99/71/00/1118997100.db2.gz PXDIGSXJCNKSTA-LLVKDONJSA-N -1 0 359.332 4.112 20 30 FIEDRM C[C@@H](Oc1cccc(C(=O)/C=C/c2ccc(F)c(C#N)c2Cl)c1)C(=O)[O-] ZINC000761477129 1119072585 /nfs/dbraw/zinc/07/25/85/1119072585.db2.gz LVDWUDRUAHBBOB-LXSSAFMLSA-N -1 0 373.767 4.099 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2ccc(O[C@H](C)c3ccccc3)nc2)n1 ZINC000613286806 1119118714 /nfs/dbraw/zinc/11/87/14/1119118714.db2.gz UZTNJJXKXXBHTJ-PBHICJAKSA-N -1 0 363.442 4.477 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2cnn(Cc3ccccc3)c2)n1 ZINC000177752541 1119349650 /nfs/dbraw/zinc/34/96/50/1119349650.db2.gz WAVZLUQQHGQQRH-INIZCTEOSA-N -1 0 350.447 4.001 20 30 FIEDRM CCCCn1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c(C)n1 ZINC000187483755 1119786137 /nfs/dbraw/zinc/78/61/37/1119786137.db2.gz HFTLSZALARKBAV-ZDUSSCGKSA-N -1 0 371.391 4.227 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(Oc2ccccc2)o1 ZINC000176524401 1119860540 /nfs/dbraw/zinc/86/05/40/1119860540.db2.gz LLMKTVMUBOLOCP-INIZCTEOSA-N -1 0 354.406 4.091 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H](C)c1c(F)cccc1F ZINC000153137406 1120020419 /nfs/dbraw/zinc/02/04/19/1120020419.db2.gz SLMUCEZYMHUJHE-RISCZKNCSA-N -1 0 366.367 4.450 20 30 FIEDRM Cc1cn(-c2ccc(F)cc2)nc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000670115190 1120356791 /nfs/dbraw/zinc/35/67/91/1120356791.db2.gz PUUJVMPZXIAMFQ-SFHVURJKSA-N -1 0 370.387 4.358 20 30 FIEDRM O=C1CCCCN1c1cccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000914773759 1120531428 /nfs/dbraw/zinc/53/14/28/1120531428.db2.gz VFDFNVAQUPQJAL-UHFFFAOYSA-N -1 0 373.796 4.221 20 30 FIEDRM CCn1ncc(C([O-])=C(C#N)c2nc3ccccc3o2)c1-c1ccccc1 ZINC000495212864 1120543154 /nfs/dbraw/zinc/54/31/54/1120543154.db2.gz OPPXTDFJRIMQFF-HNNXBMFYSA-N -1 0 356.385 4.201 20 30 FIEDRM C=C[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1)c1ccccc1 ZINC000761900328 1120570641 /nfs/dbraw/zinc/57/06/41/1120570641.db2.gz XXGDQGSOMWBBBR-KBXCAEBGSA-N -1 0 357.837 4.332 20 30 FIEDRM Cc1onc(-c2ccc(F)cc2)c1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000915100819 1120804046 /nfs/dbraw/zinc/80/40/46/1120804046.db2.gz GINRYPPGEBUJNH-OAHLLOKOSA-N -1 0 374.375 4.166 20 30 FIEDRM CC(=NNc1nnc(C)c(=O)[n-]1)c1ccc(-c2ccccc2Cl)s1 ZINC000915109863 1120809312 /nfs/dbraw/zinc/80/93/12/1120809312.db2.gz IHRWNUMQPDSPPG-UHFFFAOYSA-N -1 0 359.842 4.104 20 30 FIEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2ccccc2OC(F)(F)F)cc1 ZINC000915106189 1120815058 /nfs/dbraw/zinc/81/50/58/1120815058.db2.gz NDFHYOJVWOIZST-MDZDMXLPSA-N -1 0 350.292 4.108 20 30 FIEDRM O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1sccc1Br ZINC000915113014 1120820249 /nfs/dbraw/zinc/82/02/49/1120820249.db2.gz LJDQZGNMIXOEOT-DUXPYHPUSA-N -1 0 354.181 4.021 20 30 FIEDRM COc1ccc2oc(/C=C(/C(=O)C(=O)[O-])c3ccc4ccccc4n3)cc2c1 ZINC000763284438 1121316302 /nfs/dbraw/zinc/31/63/02/1121316302.db2.gz VJYVZMUGIRZZPY-SFQUDFHCSA-N -1 0 373.364 4.184 20 30 FIEDRM Cc1cc([O-])cc2c1C(=O)C(=NN=c1cc(C)c3ccc(C)c(C)c3[nH]1)O2 ZINC000915955771 1121353094 /nfs/dbraw/zinc/35/30/94/1121353094.db2.gz JNGSJXDFDHTXFY-UHFFFAOYSA-N -1 0 361.401 4.175 20 30 FIEDRM O=C([O-])c1cc(NN=Cc2csc(-c3ccccn3)n2)ccc1Cl ZINC000915939558 1121355122 /nfs/dbraw/zinc/35/51/22/1121355122.db2.gz SXUPDDIWYPZXHG-UHFFFAOYSA-N -1 0 358.810 4.003 20 30 FIEDRM O=C([O-])c1ccc(C(=O)/C=C/c2cnn(-c3ccc(Cl)cc3)c2)s1 ZINC000915987272 1121366979 /nfs/dbraw/zinc/36/69/79/1121366979.db2.gz BMOQNRMBMNZWNQ-LZCJLJQNSA-N -1 0 358.806 4.182 20 30 FIEDRM Cc1sc([N-]S(=O)(=O)c2ccc(C#N)cc2)nc1-c1ccc(C)cc1 ZINC000916097893 1121410355 /nfs/dbraw/zinc/41/03/55/1121410355.db2.gz MOBJEWSWCZVOJB-UHFFFAOYSA-N -1 0 369.471 4.099 20 30 FIEDRM COc1cccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)c1OC(F)F ZINC000916259500 1121453571 /nfs/dbraw/zinc/45/35/71/1121453571.db2.gz KYMXEIWZZSXHTG-UHFFFAOYSA-N -1 0 370.739 4.094 20 30 FIEDRM CCCOc1ccc(/C=C/C(=O)c2ccc(OC)c(CC(=O)[O-])c2)cc1 ZINC000916546960 1121539600 /nfs/dbraw/zinc/53/96/00/1121539600.db2.gz RAFQAAXFCLLNED-UXBLZVDNSA-N -1 0 354.402 4.007 20 30 FIEDRM CCC(=NNc1ccc(C(=O)[O-])cc1)c1cc(Br)ccc1O ZINC000916591725 1121554961 /nfs/dbraw/zinc/55/49/61/1121554961.db2.gz GHMDRMVEPZTHTO-UHFFFAOYSA-N -1 0 363.211 4.079 20 30 FIEDRM Cc1onc(-c2cccnc2)c1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000671746239 1121665617 /nfs/dbraw/zinc/66/56/17/1121665617.db2.gz YYLGESGOQCVDPW-MRXNPFEDSA-N -1 0 354.369 4.083 20 30 FIEDRM N#CC(=C([O-])C=Cc1cnc2ccccc2n1)c1nc2ccccc2s1 ZINC000916846257 1121887487 /nfs/dbraw/zinc/88/74/87/1121887487.db2.gz NTKMBXNVGITOQZ-ATWMFIQVSA-N -1 0 356.410 4.129 20 30 FIEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cc2c(s1)CCCCCC2 ZINC000916887204 1121910213 /nfs/dbraw/zinc/91/02/13/1121910213.db2.gz SOAYFUFXEPARLG-KRWDZBQOSA-N -1 0 366.486 4.046 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc(Oc2ccccc2)c1 ZINC000916872763 1121912400 /nfs/dbraw/zinc/91/24/00/1121912400.db2.gz JCGFTTKFBCJKEF-FQEVSTJZSA-N -1 0 364.445 4.498 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC(C)C)c(C)n1-c1cccc(C(C)C)c1 ZINC000916952040 1121973542 /nfs/dbraw/zinc/97/35/42/1121973542.db2.gz RLGDJESFDILULX-FQEVSTJZSA-N -1 0 365.477 4.065 20 30 FIEDRM Cc1cccc2sc(C([O-])=C(C#N)C(=O)NC3CCCC3)c(Cl)c21 ZINC000917045103 1122013812 /nfs/dbraw/zinc/01/38/12/1122013812.db2.gz QXGVHQOZJLXTOH-LBPRGKRZSA-N -1 0 360.866 4.244 20 30 FIEDRM N#CC(=C([O-])c1ccc(Cl)o1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000066544733 1122072092 /nfs/dbraw/zinc/07/20/92/1122072092.db2.gz NBBPNKUHHVSRKU-LBPRGKRZSA-N -1 0 353.790 4.418 20 30 FIEDRM N#CCc1cccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000066544629 1122072238 /nfs/dbraw/zinc/07/22/38/1122072238.db2.gz QTUWHJJNTIWIQP-GOSISDBHSA-N -1 0 368.421 4.238 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3sc(C)nc3C)n2)cc1 ZINC000066543803 1122072271 /nfs/dbraw/zinc/07/22/71/1122072271.db2.gz UALCGZWOHYOEKU-AWEZNQCLSA-N -1 0 369.471 4.382 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2cnc(-c3ccccn3)s2)n1 ZINC000131168542 1122995344 /nfs/dbraw/zinc/99/53/44/1122995344.db2.gz HXXNIQVHAXVWPM-LLVKDONJSA-N -1 0 354.460 4.275 20 30 FIEDRM N#CC(=C([O-])c1cnc(C(F)(F)F)c(C#N)c1)c1nccc2ccccc21 ZINC000498980718 1123113869 /nfs/dbraw/zinc/11/38/69/1123113869.db2.gz TUWYYUDJCYKGHZ-OAHLLOKOSA-N -1 0 366.302 4.010 20 30 FIEDRM C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000131805564 1123188085 /nfs/dbraw/zinc/18/80/85/1123188085.db2.gz LSKAIBDFACCIFJ-ZDUSSCGKSA-N -1 0 372.471 4.485 20 30 FIEDRM COc1c(C)cc(/C=C\C(=O)c2ccc(OCCCC(=O)[O-])cc2)cc1C ZINC000920064884 1123325050 /nfs/dbraw/zinc/32/50/50/1123325050.db2.gz NCMJHYUMGHYQPK-WDZFZDKYSA-N -1 0 368.429 4.452 20 30 FIEDRM CCCOc1ccc(/C=C2\CCc3oc(C(=O)[O-])c(C)c3C2=O)cc1OC ZINC000920065922 1123326240 /nfs/dbraw/zinc/32/62/40/1123326240.db2.gz NDRWDKCFMSKZJJ-GXDHUFHOSA-N -1 0 370.401 4.296 20 30 FIEDRM CCc1ccc(OCC(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)cc1 ZINC000920102583 1123350611 /nfs/dbraw/zinc/35/06/11/1123350611.db2.gz WPHYBFKSLGZNPJ-SFHVURJKSA-N -1 0 360.413 4.009 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1oc2c(c1C)c(C)ccc2C ZINC000920107090 1123352533 /nfs/dbraw/zinc/35/25/33/1123352533.db2.gz MYLFWFRWUALKLX-MRXNPFEDSA-N -1 0 354.450 4.377 20 30 FIEDRM CCOC(=O)[C@H](Cc1ccccc1)/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000920174045 1123403425 /nfs/dbraw/zinc/40/34/25/1123403425.db2.gz JDJDYQOYVRKTIJ-XYHOIZSOSA-N -1 0 366.244 4.292 20 30 FIEDRM C[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccc(OCC(F)(F)F)cc1 ZINC000920387193 1123450626 /nfs/dbraw/zinc/45/06/26/1123450626.db2.gz MNVCHAACOKPPOB-LBUZSKGWSA-N -1 0 368.311 4.422 20 30 FIEDRM CCOc1ccc(C(CC)N=Nc2ccc(C(=O)[O-])cc2)cc1OCC ZINC000920826528 1123519101 /nfs/dbraw/zinc/51/91/01/1123519101.db2.gz PABKGNFTPSIXGW-UHFFFAOYSA-N -1 0 356.422 4.408 20 30 FIEDRM O=[N+]([O-])c1cc(Cl)cc(C=Nc2ccccc2Br)c1[O-] ZINC000920943421 1123540114 /nfs/dbraw/zinc/54/01/14/1123540114.db2.gz HPMGYDFBRMNGLM-UHFFFAOYSA-N -1 0 355.575 4.467 20 30 FIEDRM CCOc1ccc(/C=C2/CCc3oc(C(=O)[O-])c(C)c3C2=O)cc1OCC ZINC000920991271 1123544040 /nfs/dbraw/zinc/54/40/40/1123544040.db2.gz FOYBNHJYTDRQNN-UVTDQMKNSA-N -1 0 370.401 4.296 20 30 FIEDRM CCC(=NNc1[n-]cnc2ncnc1-2)c1ccc(Oc2ccccc2)cc1 ZINC000921258227 1123604149 /nfs/dbraw/zinc/60/41/49/1123604149.db2.gz PMRYYVBIAAKUBG-UHFFFAOYSA-N -1 0 358.405 4.371 20 30 FIEDRM Cc1csc([C@H](C#N)C(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)n1 ZINC000076764040 1123629018 /nfs/dbraw/zinc/62/90/18/1123629018.db2.gz KLMIVLPUCPCZGS-OAHLLOKOSA-N -1 0 355.463 4.235 20 30 FIEDRM N#CC1(c2ccc(Nc3ccc4c(cccc4S(=O)(=O)[O-])c3)cc2)CC1 ZINC001212257707 1123701920 /nfs/dbraw/zinc/70/19/20/1123701920.db2.gz GVEUOPURNIGPDZ-UHFFFAOYSA-N -1 0 364.426 4.385 20 30 FIEDRM COc1ccccc1N=c1[n-]nc(S[C@@H](C#N)C2CCCCC2)s1 ZINC000609648772 1123781319 /nfs/dbraw/zinc/78/13/19/1123781319.db2.gz YJWBKKDIOOOICG-HNNXBMFYSA-N -1 0 360.508 4.277 20 30 FIEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1ccc2ncccc2c1 ZINC000179588533 1124009034 /nfs/dbraw/zinc/00/90/34/1124009034.db2.gz WRCSDYXRNYOASD-KRWDZBQOSA-N -1 0 353.381 4.230 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2SC[C@@H](C)C#N)s1 ZINC000108251857 1124270097 /nfs/dbraw/zinc/27/00/97/1124270097.db2.gz VSOIUDLQCGKPKS-NSHDSACASA-N -1 0 352.506 4.109 20 30 FIEDRM C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000108251726 1124270323 /nfs/dbraw/zinc/27/03/23/1124270323.db2.gz IDQQSXOWIKGRFF-NSHDSACASA-N -1 0 368.430 4.017 20 30 FIEDRM CC(C)(C)Oc1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nc1 ZINC000499453289 1124712167 /nfs/dbraw/zinc/71/21/67/1124712167.db2.gz GRNZJMAHDCJWCB-CYBMUJFWSA-N -1 0 363.339 4.163 20 30 FIEDRM CC(C)Oc1cccc(CC(=O)[N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000069283788 1124719579 /nfs/dbraw/zinc/71/95/79/1124719579.db2.gz JXVUJSRULUCGOY-UHFFFAOYSA-N -1 0 367.854 4.015 20 30 FIEDRM CC(C)CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000069284303 1124720851 /nfs/dbraw/zinc/72/08/51/1124720851.db2.gz ZPWMFBIDEHWERQ-MRVPVSSYSA-N -1 0 374.311 4.151 20 30 FIEDRM O=C(CCc1cccs1)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000069641783 1125079296 /nfs/dbraw/zinc/07/92/96/1125079296.db2.gz LQDMWRVICOLDRO-UHFFFAOYSA-N -1 0 370.304 4.394 20 30 FIEDRM CCCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000070029158 1125244168 /nfs/dbraw/zinc/24/41/68/1125244168.db2.gz GDKRKDGLHDGCNV-AWEZNQCLSA-N -1 0 368.499 4.287 20 30 FIEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000001492180 204011012 /nfs/dbraw/zinc/01/10/12/204011012.db2.gz DHKRVOSGULPXFM-UHFFFAOYSA-N -1 0 364.637 4.340 20 30 FIEDRM Cc1ccc(C)c(C(=O)N[C@H](CCCC#N)c2ccccc2)c1C(=O)[O-] ZINC000601994373 567898820 /nfs/dbraw/zinc/89/88/20/567898820.db2.gz QPKOXCRJFXXWLI-QGZVFWFLSA-N -1 0 350.418 4.167 20 30 FIEDRM COc1cc(C#N)ccc1OCc1nc(-c2ccc(O)c3ccccc23)no1 ZINC000436613141 568033387 /nfs/dbraw/zinc/03/33/87/568033387.db2.gz OQEJZVGUTTZMRM-UHFFFAOYSA-N -1 0 373.368 4.055 20 30 FIEDRM Cc1ccc(-c2cc(C([O-])=C(C#N)c3nc4ccccc4n3C)n[nH]2)c(C)c1 ZINC000188648125 568044518 /nfs/dbraw/zinc/04/45/18/568044518.db2.gz VKMQKVKDQJJLNB-MRXNPFEDSA-N -1 0 369.428 4.070 20 30 FIEDRM N#Cc1ccccc1COc1cccc(CNc2cccc(C(=O)[O-])c2)c1 ZINC000568590967 568077437 /nfs/dbraw/zinc/07/74/37/568077437.db2.gz CYQSSRZCJJZGHR-UHFFFAOYSA-N -1 0 358.397 4.448 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc3ccc(F)cc3s2)n1 ZINC000604433381 568286581 /nfs/dbraw/zinc/28/65/81/568286581.db2.gz QBHOCPAZTIYOIQ-LLVKDONJSA-N -1 0 374.418 4.164 20 30 FIEDRM CC(C)Oc1ccc(S(=O)(=O)Nc2cccc(C#N)c2)c2ccccc12 ZINC000032586433 568392593 /nfs/dbraw/zinc/39/25/93/568392593.db2.gz KJWRUYDGHJVUKB-UHFFFAOYSA-N -1 0 366.442 4.299 20 30 FIEDRM N#CC(=C([O-])c1cncc2ccccc21)c1nc(-c2ccncc2)cs1 ZINC000543058698 1125570186 /nfs/dbraw/zinc/57/01/86/1125570186.db2.gz LAAZJDLBKRZOIZ-INIZCTEOSA-N -1 0 356.410 4.243 20 30 FIEDRM COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc(C)[nH]c3C)n2)cc1 ZINC000619756438 1125681781 /nfs/dbraw/zinc/68/17/81/1125681781.db2.gz IJASEHPFXRIXRA-MRXNPFEDSA-N -1 0 351.431 4.254 20 30 FIEDRM N#C[C@H](Sc1n[n-]c(=NCc2ccco2)s1)c1ccc(Cl)cc1 ZINC000619863681 1125719192 /nfs/dbraw/zinc/71/91/92/1125719192.db2.gz IYUXIIPHFKCYSX-ZDUSSCGKSA-N -1 0 362.867 4.175 20 30 FIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)c1 ZINC000186940302 1079747135 /nfs/dbraw/zinc/74/71/35/1079747135.db2.gz YKLHAUXBUIMNJT-UHFFFAOYSA-N -1 0 373.821 4.031 20 30 FIEDRM C=CCc1cccc(C(C)C)c1NC(=O)CSc1n[n-]c(=S)s1 ZINC000188066832 1080285754 /nfs/dbraw/zinc/28/57/54/1080285754.db2.gz UBJGOPWPMBQZQO-UHFFFAOYSA-N -1 0 365.549 4.410 20 30 FIEDRM COc1cc(C(=O)/C=C\c2cnc(-c3ccccc3)s2)c(OC)cc1O ZINC000255014466 1080312934 /nfs/dbraw/zinc/31/29/34/1080312934.db2.gz SLUMQLIXKPTRBL-HJWRWDBZSA-N -1 0 367.426 4.429 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])C=Cc2ccccc2OC(F)(F)F)n1 ZINC000255046157 1080520463 /nfs/dbraw/zinc/52/04/63/1080520463.db2.gz PEESGWZOSFICRX-ZHRWSRJISA-N -1 0 352.337 4.240 20 30 FIEDRM Cn1cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)c(C(F)F)n1 ZINC000533631651 1081120495 /nfs/dbraw/zinc/12/04/95/1081120495.db2.gz STJDMGGVZYGLNU-MRVPVSSYSA-N -1 0 366.780 4.111 20 30 FIEDRM CSc1ccc2c(c1)CC/C(=C/c1cccc(O[C@H](C)C(=O)[O-])c1)C2=O ZINC000748148589 1081609812 /nfs/dbraw/zinc/60/98/12/1081609812.db2.gz UZFAYCVHNQPREM-YDRQLGOLSA-N -1 0 368.454 4.473 20 30 FIEDRM O=C([N-]S(=O)(=O)c1cccc(Cl)c1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000050204785 1081921580 /nfs/dbraw/zinc/92/15/80/1081921580.db2.gz IARMVOZEHHOFSW-HUUCEWRRSA-N -1 0 370.257 4.442 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)oc2c1C(=O)CCC2 ZINC000430590262 1082535650 /nfs/dbraw/zinc/53/56/50/1082535650.db2.gz CGYLJULXTNFALA-LLVKDONJSA-N -1 0 356.447 4.351 20 30 FIEDRM CC1(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCO3)CCCCC1 ZINC000091125703 1082538738 /nfs/dbraw/zinc/53/87/38/1082538738.db2.gz LZTGEOWKXOGSFY-UHFFFAOYSA-N -1 0 351.468 4.017 20 30 FIEDRM COc1ccc2nc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)ccc2c1 ZINC000430608160 1082644461 /nfs/dbraw/zinc/64/44/61/1082644461.db2.gz CSAWAASWOIEYBU-AWEZNQCLSA-N -1 0 365.458 4.487 20 30 FIEDRM CC(C)(C)OC(=O)Nc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000255324440 1082676114 /nfs/dbraw/zinc/67/61/14/1082676114.db2.gz QMKMPEQMCAAQFX-UHFFFAOYSA-N -1 0 357.366 4.398 20 30 FIEDRM Cc1nn(CC(F)F)c(C)c1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430630340 1082768341 /nfs/dbraw/zinc/76/83/41/1082768341.db2.gz YHRNZJIUFGSBHO-NSHDSACASA-N -1 0 366.437 4.009 20 30 FIEDRM CCc1ncncc1C([O-])=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000051157150 1082794791 /nfs/dbraw/zinc/79/47/91/1082794791.db2.gz DNJNPYVPCWFCRV-ZDUSSCGKSA-N -1 0 368.849 4.306 20 30 FIEDRM CC(=O)Nc1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cc1F ZINC000430644329 1082828466 /nfs/dbraw/zinc/82/84/66/1082828466.db2.gz NDGRJFHFBMKJOL-GFCCVEGCSA-N -1 0 359.426 4.028 20 30 FIEDRM N#CC(=C([O-])c1coc(-c2ccccc2)n1)c1ccc(C(F)(F)F)cn1 ZINC000121556894 1083098765 /nfs/dbraw/zinc/09/87/65/1083098765.db2.gz KWVQHNXBJJECOT-ZDUSSCGKSA-N -1 0 357.291 4.245 20 30 FIEDRM C[C@@H]1C[C@H]1C(=O)Nc1cccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1 ZINC000647377245 1083360783 /nfs/dbraw/zinc/36/07/83/1083360783.db2.gz ZPYVNHHVIIEIBI-LYRGGWFBSA-N -1 0 365.458 4.105 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2NC2CCCCC2)c(F)c1 ZINC000535737547 1083608705 /nfs/dbraw/zinc/60/87/05/1083608705.db2.gz PXQMBMHADYASHB-UHFFFAOYSA-N -1 0 373.453 4.243 20 30 FIEDRM COc1cc(/C=C/C(=O)c2ccc([O-])c(F)c2)ccc1OCC(F)(F)F ZINC000728439230 1084162040 /nfs/dbraw/zinc/16/20/40/1084162040.db2.gz YNCHIBSUUXARHR-GORDUTHDSA-N -1 0 370.298 4.377 20 30 FIEDRM Cc1nc(C(C)C)ncc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000892538452 1084567482 /nfs/dbraw/zinc/56/74/82/1084567482.db2.gz KYYHWFYFDZXTFP-GFCCVEGCSA-N -1 0 369.375 4.143 20 30 FIEDRM CCc1ccc(-c2ccc(C([O-])=C(C#N)c3nnc4n3CCCCC4)o2)cc1 ZINC000174010464 1084720680 /nfs/dbraw/zinc/72/06/80/1084720680.db2.gz USOQKDYHZBXLLF-KRWDZBQOSA-N -1 0 374.444 4.317 20 30 FIEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccccc1SCC(F)(F)F ZINC000024345689 1084903226 /nfs/dbraw/zinc/90/32/26/1084903226.db2.gz FHYKPCLZIIZXBL-UHFFFAOYSA-N -1 0 372.393 4.013 20 30 FIEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000186206203 1085048579 /nfs/dbraw/zinc/04/85/79/1085048579.db2.gz UQXBKIYCZBQKEC-VIFPVBQESA-N -1 0 366.364 4.314 20 30 FIEDRM N#CC(=C([O-])C=Cc1ccc(Cl)nc1)c1nc(-c2ccncc2)cs1 ZINC000255539816 1085622390 /nfs/dbraw/zinc/62/23/90/1085622390.db2.gz HXHCACMRUGFKFO-NPPUXFBVSA-N -1 0 366.833 4.143 20 30 FIEDRM COc1cc(/C=C\c2ccc3cc(C(=O)[O-])ccc3n2)ccc1OCC#N ZINC000255546802 1085666087 /nfs/dbraw/zinc/66/60/87/1085666087.db2.gz JNOHRAQFKDFRHI-KXFIGUGUSA-N -1 0 360.369 4.014 20 30 FIEDRM CCc1c(C([O-])=C(C#N)c2nc3ccccc3s2)cnn1C(C)(C)C ZINC000048824722 1085707425 /nfs/dbraw/zinc/70/74/25/1085707425.db2.gz RKOHIVPUCQBROL-GFCCVEGCSA-N -1 0 352.463 4.300 20 30 FIEDRM O=C([O-])c1cccc(/C=C\C(=O)c2cnn(Cc3ccccc3)c2)c1Cl ZINC000588559662 1085947749 /nfs/dbraw/zinc/94/77/49/1085947749.db2.gz VWZMZMMZKWFLHM-KTKRTIGZSA-N -1 0 366.804 4.179 20 30 FIEDRM N#C[C@@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000184392623 1086108523 /nfs/dbraw/zinc/10/85/23/1086108523.db2.gz WEOGGQBVJZAPBR-CYBMUJFWSA-N -1 0 373.598 4.486 20 30 FIEDRM N#CC(=C([O-])c1cnn(-c2ccccc2Cl)c1)c1nc2ccccc2o1 ZINC000050206462 1086796137 /nfs/dbraw/zinc/79/61/37/1086796137.db2.gz CEUSBJYURISYFZ-ZDUSSCGKSA-N -1 0 362.776 4.157 20 30 FIEDRM N#Cc1ccc([O-])c(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)c1 ZINC000176817415 1087248501 /nfs/dbraw/zinc/24/85/01/1087248501.db2.gz UAXMHRNSJZZNKZ-UHFFFAOYSA-N -1 0 361.382 4.386 20 30 FIEDRM CC(C)(C)c1[n-]n(Cc2ccccc2C(F)(F)F)c(=O)c1CCC#N ZINC000151833421 1087273157 /nfs/dbraw/zinc/27/31/57/1087273157.db2.gz HPWDJGXIAISEEY-UHFFFAOYSA-N -1 0 351.372 4.409 20 30 FIEDRM Cc1ccc(C(=O)Nc2cc(C#N)ccc2[O-])cc1NC(=O)c1ccccc1 ZINC000176834911 1087335399 /nfs/dbraw/zinc/33/53/99/1087335399.db2.gz UEGHWHXMEGFCJL-UHFFFAOYSA-N -1 0 371.396 4.077 20 30 FIEDRM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C#N)ccc1OC(C)C ZINC000511277834 1087546282 /nfs/dbraw/zinc/54/62/82/1087546282.db2.gz UDBLIQGLDVTXFB-UHFFFAOYSA-N -1 0 364.854 4.108 20 30 FIEDRM C[C@H](C#N)Oc1ccc(/C=C\c2nc(-c3ccccc3)ncc2C(=O)[O-])cc1 ZINC000588619046 1087615042 /nfs/dbraw/zinc/61/50/42/1087615042.db2.gz VKNSSOYWGROSAB-HMVFGEFZSA-N -1 0 371.396 4.303 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccn(-c3cccc(F)c3)n2)n1 ZINC000080455740 1087636389 /nfs/dbraw/zinc/63/63/89/1087636389.db2.gz CQZGOWICSDNDJC-AWEZNQCLSA-N -1 0 354.410 4.081 20 30 FIEDRM Cc1ccc(CC(=O)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)s1 ZINC000065762972 1087734958 /nfs/dbraw/zinc/73/49/58/1087734958.db2.gz COWIPBLDQVJIOE-UHFFFAOYSA-N -1 0 364.275 4.251 20 30 FIEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1cnc(CC2CC2)s1 ZINC000892423428 1087770626 /nfs/dbraw/zinc/77/06/26/1087770626.db2.gz DXTKVVLPFRDCLZ-AWEZNQCLSA-N -1 0 363.442 4.091 20 30 FIEDRM CCCCCc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)n[nH]1 ZINC000659050027 1087976002 /nfs/dbraw/zinc/97/60/02/1087976002.db2.gz FRGORAHYMUXIKJ-CYBMUJFWSA-N -1 0 371.391 4.377 20 30 FIEDRM COc1c(C)cc(C([O-])=C(C#N)C(=O)c2c(C)[nH]c3ccccc32)cc1C ZINC000180732853 1088059116 /nfs/dbraw/zinc/05/91/16/1088059116.db2.gz ZOJQBRAELNWAQJ-QGZVFWFLSA-N -1 0 360.413 4.307 20 30 FIEDRM Cc1nnc(-c2ccccc2C([O-])=C(C#N)c2nc3ccccc3s2)o1 ZINC000505311536 1088346115 /nfs/dbraw/zinc/34/61/15/1088346115.db2.gz LQFGMNDJFCVOGQ-CQSZACIVSA-N -1 0 360.398 4.145 20 30 FIEDRM Cc1ccccc1CNc1ccccc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000189174162 1088428849 /nfs/dbraw/zinc/42/88/49/1088428849.db2.gz ONUXWHOOYQBUAW-UHFFFAOYSA-N -1 0 357.413 4.437 20 30 FIEDRM N#Cc1cccc(COc2cccc(NC(=O)c3ccc(O)cc3F)c2)c1 ZINC000181133440 1088780436 /nfs/dbraw/zinc/78/04/36/1088780436.db2.gz ROROCNQPLKOCSG-UHFFFAOYSA-N -1 0 362.360 4.234 20 30 FIEDRM CCc1cncc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000434624393 1088890567 /nfs/dbraw/zinc/89/05/67/1088890567.db2.gz PRUZMXUOMVBTJX-QGZVFWFLSA-N -1 0 358.426 4.129 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2Nc2ccccc2)s1 ZINC000435489886 1089704975 /nfs/dbraw/zinc/70/49/75/1089704975.db2.gz MBGMZSYCQCGZQB-UHFFFAOYSA-N -1 0 355.444 4.164 20 30 FIEDRM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C ZINC000416415004 1090379233 /nfs/dbraw/zinc/37/92/33/1090379233.db2.gz HBQBLTXZYOGVGN-OAHLLOKOSA-N -1 0 373.522 4.433 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)nn1[C@@H](C)C1CC1 ZINC000584757203 1090838819 /nfs/dbraw/zinc/83/88/19/1090838819.db2.gz WTPKBMKKSSRUNW-GXTWGEPZSA-N -1 0 356.495 4.407 20 30 FIEDRM C=CCc1cc(CNc2ccc([C@@H](C)CC(=O)[O-])cc2)cc(OC)c1O ZINC000417608452 1090937648 /nfs/dbraw/zinc/93/76/48/1090937648.db2.gz IPYOWGYTADAIDV-AWEZNQCLSA-N -1 0 355.434 4.320 20 30 FIEDRM C=CCc1cc(CNc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc(OC)c1O ZINC000417607624 1090937701 /nfs/dbraw/zinc/93/77/01/1090937701.db2.gz GUIRTIUEVPASAE-CQSZACIVSA-N -1 0 355.434 4.005 20 30 FIEDRM C=CCOc1ccc(CNc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1OC ZINC000417612581 1090943033 /nfs/dbraw/zinc/94/30/33/1090943033.db2.gz REQSQISYYGUTKE-OAHLLOKOSA-N -1 0 355.434 4.135 20 30 FIEDRM N#CC(=C([O-])c1ccc(C#N)c(Cl)c1)c1nc(-c2ccncc2)cs1 ZINC000124135835 1091715441 /nfs/dbraw/zinc/71/54/41/1091715441.db2.gz FFRGPMLPLTZEQT-CQSZACIVSA-N -1 0 364.817 4.220 20 30 FIEDRM N#CC(=C([O-])c1c[nH]nc1-c1cc2ccccc2o1)c1nc2ccccc2o1 ZINC000187290595 1091868722 /nfs/dbraw/zinc/86/87/22/1091868722.db2.gz ZESUJDJXNJMYAJ-ZDUSSCGKSA-N -1 0 368.352 4.454 20 30 FIEDRM N#CC(=C([O-])c1cn2cc(Cl)cc(Cl)c2n1)c1nc2ccccc2o1 ZINC000442553052 1092676603 /nfs/dbraw/zinc/67/66/03/1092676603.db2.gz TUAJCXFFINIBCG-SNVBAGLBSA-N -1 0 371.183 4.272 20 30 FIEDRM CCO[C@H](C)c1ncc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)s1 ZINC000442614625 1092689168 /nfs/dbraw/zinc/68/91/68/1092689168.db2.gz HTWPDOWHWZUBLR-KOLCDFICSA-N -1 0 369.368 4.144 20 30 FIEDRM CCO[C@@H](C)c1ncc(C([O-])=C(C#N)c2nc3ccccc3s2)s1 ZINC000442622038 1092702307 /nfs/dbraw/zinc/70/23/07/1092702307.db2.gz VLYMVPDRNXIIMG-WDEREUQCSA-N -1 0 357.460 4.340 20 30 FIEDRM CSc1[n-]c(=O)c(C(=O)O[C@@H]2C[C@@H](C(C)C)c3ccccc32)cc1C#N ZINC001271056530 1092706824 /nfs/dbraw/zinc/70/68/24/1092706824.db2.gz HPMAEPAKGSEAQN-DOTOQJQBSA-N -1 0 368.458 4.422 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2cccc(COCCc3ccccc3)c2)cc1[O-] ZINC000442947689 1092881592 /nfs/dbraw/zinc/88/15/92/1092881592.db2.gz DXIJRVPSYXECMY-UHFFFAOYSA-N -1 0 372.424 4.275 20 30 FIEDRM CSCc1c2ccccc2oc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000075443072 1093083484 /nfs/dbraw/zinc/08/34/84/1093083484.db2.gz DTYPLAPKOVEWGN-AWEZNQCLSA-N -1 0 351.431 4.193 20 30 FIEDRM CCOc1ccc(F)c(Nc2scc([O-])c2C#N)c1Br ZINC001211757009 1093203551 /nfs/dbraw/zinc/20/35/51/1093203551.db2.gz UBMAMRVCZBAJQT-UHFFFAOYSA-N -1 0 357.204 4.369 20 30 FIEDRM Cc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000473486810 1093492761 /nfs/dbraw/zinc/49/27/61/1093492761.db2.gz FGOVPFABQNJVHG-HNNXBMFYSA-N -1 0 370.334 4.085 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2csc(-c3ncccc3F)n2)n1 ZINC000509855589 1093543786 /nfs/dbraw/zinc/54/37/86/1093543786.db2.gz ZBWQVGBXGFSYTM-SNVBAGLBSA-N -1 0 372.450 4.414 20 30 FIEDRM Cc1ccc(C(C)C)c(O[C@H](C)C(=O)[N-]S(=O)(=O)C2CCCC2)c1 ZINC000086054732 1093705881 /nfs/dbraw/zinc/70/58/81/1093705881.db2.gz MLFNCQJHWUPPKG-CQSZACIVSA-N -1 0 353.484 4.115 20 30 FIEDRM CC1(C)Cc2cc(/C=C(\C(=O)C(=O)[O-])c3ccc4ccccc4n3)ccc2O1 ZINC000729151448 1093935747 /nfs/dbraw/zinc/93/57/47/1093935747.db2.gz WRXYLSPNZQENCJ-ATVHPVEESA-N -1 0 373.408 4.143 20 30 FIEDRM CC(C)c1noc2ncc(C([O-])=C(C#N)c3nc4ccccc4s3)cc21 ZINC000513654276 1094255385 /nfs/dbraw/zinc/25/53/85/1094255385.db2.gz KNWCMQKTDCUWIA-ZDUSSCGKSA-N -1 0 362.414 4.446 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3s2)cnn1Cc1ccccc1 ZINC000513677647 1094268557 /nfs/dbraw/zinc/26/85/57/1094268557.db2.gz ZWVZONODYCIDKQ-MRXNPFEDSA-N -1 0 372.453 4.340 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2csc(Cc3cccc(F)c3)n2)n1 ZINC000182558542 1094787427 /nfs/dbraw/zinc/78/74/27/1094787427.db2.gz DDEMHCMJDAYXMY-CYBMUJFWSA-N -1 0 357.435 4.128 20 30 FIEDRM CC1(C)CC[C@@H]2C[C@@H](NC(=O)c3cccn4c([O-])nnc34)c3cccc1c32 ZINC000329341254 1094852639 /nfs/dbraw/zinc/85/26/39/1094852639.db2.gz OUJYLGOGYHDWSP-MLGOLLRUSA-N -1 0 362.433 4.040 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cn(C)nc2-c2ccc(Cl)s2)n1 ZINC000475030225 1095207018 /nfs/dbraw/zinc/20/70/18/1095207018.db2.gz RNIDKLPNOAVQKQ-VIFPVBQESA-N -1 0 362.867 4.057 20 30 FIEDRM Cc1ccc(-n2[n-]c(C(=O)N[C@@H]3CCCCC34CCCC4)cc2=O)cc1 ZINC000330316890 1095492418 /nfs/dbraw/zinc/49/24/18/1095492418.db2.gz QEAJJAKSBDBLSJ-GOSISDBHSA-N -1 0 353.466 4.282 20 30 FIEDRM CCCCCc1n[n-]c(=NC(=O)Nc2cccc(OCCCC#N)c2)s1 ZINC000502664699 1095694464 /nfs/dbraw/zinc/69/44/64/1095694464.db2.gz RNMSWFCNJCNGOO-UHFFFAOYSA-N -1 0 373.482 4.019 20 30 FIEDRM CC(C)n1ccc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)n1 ZINC000503419143 1096392686 /nfs/dbraw/zinc/39/26/86/1096392686.db2.gz MNAGNPVMSZCGQO-NSHDSACASA-N -1 0 372.400 4.356 20 30 FIEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(Oc2cccc(F)c2)cc1 ZINC000515697986 1098861950 /nfs/dbraw/zinc/86/19/50/1098861950.db2.gz XOQCHMAFYLSEDY-UHFFFAOYSA-N -1 0 368.389 4.290 20 30 FIEDRM C=CCc1cc(/C=C\c2nc3ccc(C(=O)[O-])cc3o2)cc(OC)c1O ZINC000436781841 1099297696 /nfs/dbraw/zinc/29/76/96/1099297696.db2.gz GDVCQEQEMJLWKO-YVMONPNESA-N -1 0 351.358 4.139 20 30 FIEDRM C[C@H](N=c1[n-]nc(Cc2ccc(Cl)cc2)s1)c1cccc(C#N)c1 ZINC000614510817 1099329013 /nfs/dbraw/zinc/32/90/13/1099329013.db2.gz PZJXLOLQQPJUDK-LBPRGKRZSA-N -1 0 354.866 4.249 20 30 FIEDRM CCOc1cc(-c2noc(-c3cccc(C#N)c3C)n2)cc(Cl)c1[O-] ZINC000436876585 1099392922 /nfs/dbraw/zinc/39/29/22/1099392922.db2.gz JFAUPFOQCGWTHN-UHFFFAOYSA-N -1 0 355.781 4.341 20 30 FIEDRM N#Cc1cccc(COc2cccc(NC(=O)c3c([O-])cccc3F)c2)c1 ZINC000436959742 1099475379 /nfs/dbraw/zinc/47/53/79/1099475379.db2.gz NZTUFUZRXPYXCS-UHFFFAOYSA-N -1 0 362.360 4.234 20 30 FIEDRM N#C[C@H](c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccco2)cc1Cl ZINC000437680292 1100105757 /nfs/dbraw/zinc/10/57/57/1100105757.db2.gz SENOMQFRQITOIU-MRXNPFEDSA-N -1 0 372.833 4.389 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)c3ncccc23)cc1[O-] ZINC000473597531 1101092190 /nfs/dbraw/zinc/09/21/90/1101092190.db2.gz GTGOCNCRAJWAMW-UHFFFAOYSA-N -1 0 372.428 4.055 20 30 FIEDRM CCc1nc(C)c(C([O-])=C(C#N)C(=O)c2c(C)[nH]c3ccccc32)s1 ZINC000140115539 1101236777 /nfs/dbraw/zinc/23/67/77/1101236777.db2.gz JNEDYFUADBDGTL-ZDUSSCGKSA-N -1 0 351.431 4.009 20 30 FIEDRM N#CC(=C([O-])c1noc2c1CCCC2)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000518516546 1101258631 /nfs/dbraw/zinc/25/86/31/1101258631.db2.gz JZQOUZCTXHZIQS-HNNXBMFYSA-N -1 0 374.425 4.039 20 30 FIEDRM N#Cc1cccc(CSc2n[n-]c(=Nc3cccc(F)c3)s2)c1F ZINC000537049231 1101425282 /nfs/dbraw/zinc/42/52/82/1101425282.db2.gz XXCQORDPRYFDCS-UHFFFAOYSA-N -1 0 360.414 4.146 20 30 FIEDRM Cc1cc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)sc1-c1cccc(Cl)c1 ZINC000102467529 1101694371 /nfs/dbraw/zinc/69/43/71/1101694371.db2.gz WJMZZLRXWCFLJT-UHFFFAOYSA-N -1 0 367.821 4.096 20 30 FIEDRM Cc1sc(NC(=O)c2ccc(C#N)c([O-])c2)nc1-c1ccc(F)cc1 ZINC000190949993 1101720744 /nfs/dbraw/zinc/72/07/44/1101720744.db2.gz AOEWCELGUYSLDQ-UHFFFAOYSA-N -1 0 353.378 4.087 20 30 FIEDRM Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000190995510 1101740862 /nfs/dbraw/zinc/74/08/62/1101740862.db2.gz FRYDXLQCHRYUBZ-UHFFFAOYSA-N -1 0 369.380 4.489 20 30 FIEDRM CC(C)Cn1ncc(C(=O)Nc2cc(C#N)ccc2[O-])c1-c1ccccc1 ZINC000760469386 1101983291 /nfs/dbraw/zinc/98/32/91/1101983291.db2.gz CUTLFPFGSKYDMH-UHFFFAOYSA-N -1 0 360.417 4.036 20 30 FIEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)CCc1ccc2ccccc2c1 ZINC000054422652 1102024627 /nfs/dbraw/zinc/02/46/27/1102024627.db2.gz AMLSWHIOTUDADM-UHFFFAOYSA-N -1 0 353.443 4.426 20 30 FIEDRM COc1cc(C(=O)/C=C\c2cc(F)c([O-])c(F)c2)ccc1OC(F)F ZINC000299735137 1102225661 /nfs/dbraw/zinc/22/56/61/1102225661.db2.gz GRCHIASJWAPJSU-RQOWECAXSA-N -1 0 356.271 4.177 20 30 FIEDRM Cc1sc(-c2ccco2)nc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000122138918 1102531033 /nfs/dbraw/zinc/53/10/33/1102531033.db2.gz RPHQSLZIMOESEZ-LBPRGKRZSA-N -1 0 362.414 4.088 20 30 FIEDRM CC(C)c1ncc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)s1 ZINC000123123768 1102798174 /nfs/dbraw/zinc/79/81/74/1102798174.db2.gz KOQYQTPTEJZHMW-LBPRGKRZSA-N -1 0 354.460 4.275 20 30 FIEDRM COc1cc(C#N)ccc1[N-]S(=O)(=O)c1cc(C(C)C)ccc1Cl ZINC000551471016 1103256256 /nfs/dbraw/zinc/25/62/56/1103256256.db2.gz JZLIDWCQXSFWFJ-UHFFFAOYSA-N -1 0 364.854 4.144 20 30 FIEDRM Cc1cc(COc2ccc(/C=C/c3ccncc3C#N)cc2)oc1C(=O)[O-] ZINC000552000290 1103853114 /nfs/dbraw/zinc/85/31/14/1103853114.db2.gz IHCCBIOYTWCCCN-GORDUTHDSA-N -1 0 360.369 4.302 20 30 FIEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(COC3CCCC3)cc2)c1C#N ZINC000440837897 1103980998 /nfs/dbraw/zinc/98/09/98/1103980998.db2.gz ZHUSRYNDZDLKMR-UHFFFAOYSA-N -1 0 370.474 4.127 20 30 FIEDRM C=CCOc1cccc(NC(=O)N(CC(=O)[O-])[C@H](CC)c2ccccc2)c1 ZINC000520489758 1104924108 /nfs/dbraw/zinc/92/41/08/1104924108.db2.gz NDKLXWOMVALGPJ-LJQANCHMSA-N -1 0 368.433 4.321 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)nn1C(F)F ZINC000536443401 1105024083 /nfs/dbraw/zinc/02/40/83/1105024083.db2.gz IMBZVMOWKBPDHV-SECBINFHSA-N -1 0 366.780 4.340 20 30 FIEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)CC1(CC(=O)[O-])CCCCC1 ZINC000067456263 1105187738 /nfs/dbraw/zinc/18/77/38/1105187738.db2.gz ZIWRQGORAZFXTI-UHFFFAOYSA-N -1 0 358.438 4.099 20 30 FIEDRM Cc1ncc(S(=O)(=O)[N-]c2c(C(C)C)cccc2C(C)C)cc1C#N ZINC000427767654 1105270285 /nfs/dbraw/zinc/27/02/85/1105270285.db2.gz QAFIABMJGKFCLF-UHFFFAOYSA-N -1 0 357.479 4.309 20 30 FIEDRM CC(C)(C#N)c1ccc(C(=O)N=c2[n-]nc(CC3CCCCC3)s2)cc1 ZINC000475636679 1109028375 /nfs/dbraw/zinc/02/83/75/1109028375.db2.gz IDEMSSCKSGOYQS-UHFFFAOYSA-N -1 0 368.506 4.136 20 30 FIEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/Cc2ccc(OC(F)F)cc2)c1[O-] ZINC000022690722 1109591541 /nfs/dbraw/zinc/59/15/41/1109591541.db2.gz UXWDFUZUGVOTJR-UFWORHAWSA-N -1 0 356.712 4.174 20 30 FIEDRM Cn1ncc(C([O-])=C(C#N)c2nccc3ccccc32)c1Cc1ccccc1 ZINC000447632387 1109604109 /nfs/dbraw/zinc/60/41/09/1109604109.db2.gz IYFUIWUCFOSKIY-LJQANCHMSA-N -1 0 366.424 4.049 20 30 FIEDRM N#CC(=C([O-])c1cnn(Cc2ccccc2)c1)c1nc2ccccc2s1 ZINC000041502263 1111521850 /nfs/dbraw/zinc/52/18/50/1111521850.db2.gz FTYJHUVHMGONCK-MRXNPFEDSA-N -1 0 358.426 4.031 20 30 FIEDRM CCN(c1ccc(C([O-])=C(C#N)c2nc3ccccc3s2)cn1)C(C)C ZINC000477838680 1111569685 /nfs/dbraw/zinc/56/96/85/1111569685.db2.gz ZCJXQMLAJOZJSO-OAHLLOKOSA-N -1 0 364.474 4.416 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cnn(-c3ccc(Cl)cc3)c2C)n1 ZINC000041516762 1111580571 /nfs/dbraw/zinc/58/05/71/1111580571.db2.gz HKOQUFHPCOWLFT-CQSZACIVSA-N -1 0 356.838 4.089 20 30 FIEDRM Cc1oc(C2CC2)nc1C([O-])=C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000552277360 1111657281 /nfs/dbraw/zinc/65/72/81/1111657281.db2.gz SHJLYMKYDLCPKP-OAHLLOKOSA-N -1 0 374.425 4.346 20 30 FIEDRM N#Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1 ZINC000552923219 1111856420 /nfs/dbraw/zinc/85/64/20/1111856420.db2.gz FBDFEABTYBVMNL-UHFFFAOYSA-N -1 0 356.428 4.213 20 30 FIEDRM N#CC(=C([O-])c1ccn(-c2ccccc2F)n1)c1nccc2ccccc21 ZINC000483192615 1113464093 /nfs/dbraw/zinc/46/40/93/1113464093.db2.gz DGDXOJBVBSVZKG-MRXNPFEDSA-N -1 0 356.360 4.050 20 30 FIEDRM Cc1oc(-c2ccccc2)nc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000483224335 1113464697 /nfs/dbraw/zinc/46/46/97/1113464697.db2.gz XINKEHOEZUYJDG-HNNXBMFYSA-N -1 0 354.369 4.083 20 30 FIEDRM Cc1onc(-c2ccncc2)c1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000483207805 1113465479 /nfs/dbraw/zinc/46/54/79/1113465479.db2.gz WLELAFNMMOGHPS-KRWDZBQOSA-N -1 0 354.369 4.083 20 30 FIEDRM COc1ccc2nc(C([O-])=C(C#N)c3nccc4ccccc43)ccc2c1 ZINC000483211281 1113466279 /nfs/dbraw/zinc/46/62/79/1113466279.db2.gz OCYUBCQALFZOQG-SFHVURJKSA-N -1 0 353.381 4.282 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nccc3ccccc32)cnn1-c1ccccc1 ZINC000483221290 1113467729 /nfs/dbraw/zinc/46/77/29/1113467729.db2.gz YRGJEFKKQKURLY-IBGZPJMESA-N -1 0 352.397 4.219 20 30 FIEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cnn(CCC(C)C)c1C(C)C ZINC000486087468 1113502709 /nfs/dbraw/zinc/50/27/09/1113502709.db2.gz ASQCZXQWCQMVBZ-UHFFFAOYSA-N -1 0 374.510 4.034 20 30 FIEDRM C=C[C@H](CC(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1)c1ccccc1 ZINC000910728633 1113898491 /nfs/dbraw/zinc/89/84/91/1113898491.db2.gz VLJDNMZWWBROHX-ZBFHGGJFSA-N -1 0 370.474 4.173 20 30 FIEDRM CC(C)(C)c1csc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)c1C#N ZINC000589967508 1114034032 /nfs/dbraw/zinc/03/40/32/1114034032.db2.gz QAHUBKRIURGZFR-CYBMUJFWSA-N -1 0 356.447 4.114 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)sc2nccc(C)c12 ZINC000489913147 1114191770 /nfs/dbraw/zinc/19/17/70/1114191770.db2.gz QGGTUWQUUJVFJG-ZDUSSCGKSA-N -1 0 360.442 4.290 20 30 FIEDRM O=C(CC12CC3CC(CC(C3)C1)C2)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000045100058 1114561033 /nfs/dbraw/zinc/56/10/33/1114561033.db2.gz ZMUBNPCMMFBFAW-UHFFFAOYSA-N -1 0 365.470 4.219 20 30 FIEDRM Cc1cc2c[nH]nc2c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c1 ZINC000588349122 1114576800 /nfs/dbraw/zinc/57/68/00/1114576800.db2.gz XKNJDBKQMUUHKW-CYBMUJFWSA-N -1 0 365.343 4.106 20 30 FIEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000057125714 1114873950 /nfs/dbraw/zinc/87/39/50/1114873950.db2.gz GVYVIGOBBHKTTE-UHFFFAOYSA-N -1 0 371.245 4.065 20 30 FIEDRM Cc1nc(CC(C)C)sc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000590208515 1114906606 /nfs/dbraw/zinc/90/66/06/1114906606.db2.gz SDHQZVBVISLUQG-CYBMUJFWSA-N -1 0 352.463 4.027 20 30 FIEDRM Cc1cccc(O[C@H](C)C(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)c1 ZINC000058034340 1115073744 /nfs/dbraw/zinc/07/37/44/1115073744.db2.gz NNBQMUGZXZBYHE-OAHLLOKOSA-N -1 0 371.458 4.036 20 30 FIEDRM Cc1nc(-c2ccccc2)sc1C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000058071542 1115091822 /nfs/dbraw/zinc/09/18/22/1115091822.db2.gz ACHOZFKTUGAIET-UHFFFAOYSA-N -1 0 364.492 4.086 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cnn1C(C)(C)C ZINC000592973630 1115272130 /nfs/dbraw/zinc/27/21/30/1115272130.db2.gz CSDOCBJNPBJSEE-LBPRGKRZSA-N -1 0 356.426 4.185 20 30 FIEDRM N#CCn1c(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cc2ccccc21 ZINC000592973545 1115272261 /nfs/dbraw/zinc/27/22/61/1115272261.db2.gz AMDYWKMGCPJPTL-AWEZNQCLSA-N -1 0 374.400 4.404 20 30 FIEDRM COc1ccc(/C=C\C(=O)c2ccc(C)cc2[O-])c(Br)c1O ZINC000761012447 1115297297 /nfs/dbraw/zinc/29/72/97/1115297297.db2.gz RRWBNGPXCMGNRC-DAXSKMNVSA-N -1 0 363.207 4.073 20 30 FIEDRM CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC000593190075 1115304950 /nfs/dbraw/zinc/30/49/50/1115304950.db2.gz DSADRAABSAKWNC-UHFFFAOYSA-N -1 0 372.490 4.292 20 30 FIEDRM O=C([N-]S(=O)(=O)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000046708564 1115495112 /nfs/dbraw/zinc/49/51/12/1115495112.db2.gz QTRJRIYGZYEMHW-UHFFFAOYSA-N -1 0 351.427 4.164 20 30 FIEDRM Cc1ccc(C(C)C)c(OCC(=O)[N-]S(=O)(=O)c2ccccc2C)c1 ZINC000046928013 1115549171 /nfs/dbraw/zinc/54/91/71/1115549171.db2.gz OKBLHOJTFJBIDH-UHFFFAOYSA-N -1 0 361.463 4.151 20 30 FIEDRM Cc1cccc(OCCCC(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000046928826 1115549233 /nfs/dbraw/zinc/54/92/33/1115549233.db2.gz DMASUXDJEKBGKM-UHFFFAOYSA-N -1 0 373.883 4.214 20 30 FIEDRM C[C@H]1Cc2c(C#N)c([N-]C(=O)c3ocnc3C(F)F)sc2[C@@H](C)C1 ZINC000602342935 1115699748 /nfs/dbraw/zinc/69/97/48/1115699748.db2.gz NIUKIMYZVVXSLB-SFYZADRCSA-N -1 0 351.378 4.483 20 30 FIEDRM N#CC(=C([O-])c1cnn(-c2ccccc2F)c1)c1nc2ccccc2s1 ZINC000060766602 1115702348 /nfs/dbraw/zinc/70/23/48/1115702348.db2.gz JABDNRKFFSAZDM-CYBMUJFWSA-N -1 0 362.389 4.111 20 30 FIEDRM COc1ccc(CCCC(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000061066956 1115767533 /nfs/dbraw/zinc/76/75/33/1115767533.db2.gz JOOVOTFVIKBAPL-UHFFFAOYSA-N -1 0 367.854 4.017 20 30 FIEDRM Cc1nc(C(C)(C)C)sc1C(=O)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000061067247 1115768260 /nfs/dbraw/zinc/76/82/60/1115768260.db2.gz IUFHYCSYHOBQTK-ZHACJKMWSA-N -1 0 364.492 4.054 20 30 FIEDRM Cc1ccc(-c2nc(C([O-])=C(C#N)c3nc4ccccc4o3)cs2)n1C ZINC000534656562 1116222965 /nfs/dbraw/zinc/22/29/65/1116222965.db2.gz ZHMSJZJJJSOADP-LBPRGKRZSA-N -1 0 362.414 4.088 20 30 FIEDRM C[C@H](Sc1n[n-]c(=NCCc2cccs2)s1)c1cccc(C#N)c1 ZINC000442913668 1116330379 /nfs/dbraw/zinc/33/03/79/1116330379.db2.gz IYGDTNSNMMGCIR-LBPRGKRZSA-N -1 0 372.544 4.401 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)nn1[C@H](C)C1CC1 ZINC000539644837 1116357208 /nfs/dbraw/zinc/35/72/08/1116357208.db2.gz GMRQEXQWLZNJCP-OCCSQVGLSA-N -1 0 350.447 4.262 20 30 FIEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)c1Cl ZINC000540496222 1118092654 /nfs/dbraw/zinc/09/26/54/1118092654.db2.gz KSIKVWBSQARYED-UHFFFAOYSA-N -1 0 364.854 4.108 20 30 FIEDRM CC(=O)c1cccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000541199053 1118427276 /nfs/dbraw/zinc/42/72/76/1118427276.db2.gz JEXTZMRXGPFUHN-GOSISDBHSA-N -1 0 371.421 4.374 20 30 FIEDRM N#CC(=C([O-])c1ncoc1-c1cccc(C(F)(F)F)c1)c1ccccn1 ZINC000541354441 1118488559 /nfs/dbraw/zinc/48/85/59/1118488559.db2.gz GXVKPVBMEDTMIT-CYBMUJFWSA-N -1 0 357.291 4.245 20 30 FIEDRM CC(C)n1ncc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1C1CC1 ZINC000464397054 1118544701 /nfs/dbraw/zinc/54/47/01/1118544701.db2.gz GSFWAJYNOJEBIM-ZDUSSCGKSA-N -1 0 362.355 4.245 20 30 FIEDRM CC[C@@H](C)n1ncc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1C ZINC000464412573 1118547233 /nfs/dbraw/zinc/54/72/33/1118547233.db2.gz STLXUERSUDAVBK-MFKMUULPSA-N -1 0 350.344 4.066 20 30 FIEDRM CCC(CC)n1nc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cc1C ZINC000464416965 1118549286 /nfs/dbraw/zinc/54/92/86/1118549286.db2.gz LTKYDLHZVYXMNO-AWEZNQCLSA-N -1 0 364.371 4.457 20 30 FIEDRM CC(C)COc1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1Cl ZINC000030532183 1119018132 /nfs/dbraw/zinc/01/81/32/1119018132.db2.gz CZGNTFWFHPTPCV-UHFFFAOYSA-N -1 0 364.854 4.047 20 30 FIEDRM COc1cccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1OC(F)F ZINC000177772182 1119350318 /nfs/dbraw/zinc/35/03/18/1119350318.db2.gz ZUHQKVRVOFAOSO-NSHDSACASA-N -1 0 366.389 4.367 20 30 FIEDRM C=C(C)[C@H](NC(=O)CC1(CC(=O)[O-])CCCC1)c1ccc(F)c(F)c1 ZINC000186827920 1119750955 /nfs/dbraw/zinc/75/09/55/1119750955.db2.gz MUDBWKMMYLVJBR-SFHVURJKSA-N -1 0 351.393 4.123 20 30 FIEDRM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2C#N)c(Cl)cc1F ZINC000494438830 1119860350 /nfs/dbraw/zinc/86/03/50/1119860350.db2.gz HMPFQIKYLWYYMV-UHFFFAOYSA-N -1 0 359.209 4.113 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cnc(C)s3)n2)cc1 ZINC000194682095 1120293309 /nfs/dbraw/zinc/29/33/09/1120293309.db2.gz VKTMWZXINCVUCJ-ZDUSSCGKSA-N -1 0 355.444 4.074 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3coc(C4CC4)n3)n2)cc1 ZINC000670116310 1120356697 /nfs/dbraw/zinc/35/66/97/1120356697.db2.gz ILUKVTQIKQQNKS-AWEZNQCLSA-N -1 0 365.414 4.174 20 30 FIEDRM Cc1cc(C)cc(OCCCn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)c1 ZINC000465453425 1120359843 /nfs/dbraw/zinc/35/98/43/1120359843.db2.gz QOSKGNUPWDFVEQ-UHFFFAOYSA-N -1 0 355.482 4.428 20 30 FIEDRM COc1cc(/C=C2\C(=O)c3cccc4c3[C@@H]2CCC4)cc([N+](=O)[O-])c1[O-] ZINC000763288705 1121318523 /nfs/dbraw/zinc/31/85/23/1121318523.db2.gz IQGJNLBYMWUKAU-ATDKOCKZSA-N -1 0 351.358 4.009 20 30 FIEDRM COc1ccc2oc(/C=C\C(=O)c3cccc(O[C@H](C)C(=O)[O-])c3)cc2c1 ZINC000763290491 1121320041 /nfs/dbraw/zinc/32/00/41/1121320041.db2.gz QNNOLRAASAGZKD-FWPCIQOSSA-N -1 0 366.369 4.189 20 30 FIEDRM CN(C)c1cc(C#N)cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)c1 ZINC000496198999 1121356749 /nfs/dbraw/zinc/35/67/49/1121356749.db2.gz XRRZROOBVJALQM-SFHVURJKSA-N -1 0 372.453 4.238 20 30 FIEDRM O=C([O-])CCOc1ccc(/C=C/C(=O)c2cccc(OC(F)F)c2)cc1 ZINC000915983920 1121364612 /nfs/dbraw/zinc/36/46/12/1121364612.db2.gz DYOZQHYMRATLIV-RMKNXTFCSA-N -1 0 362.328 4.038 20 30 FIEDRM O=C([O-])Cc1ccc(C(=O)/C=C\c2csc(Br)c2)cc1 ZINC000915987968 1121368349 /nfs/dbraw/zinc/36/83/49/1121368349.db2.gz OICPSGJMRJUDBE-UTCJRWHESA-N -1 0 351.221 4.034 20 30 FIEDRM Cc1nn(Cc2ccccc2)c(C)c1/C=C\C(=O)c1ccc(CC(=O)[O-])cc1 ZINC000915991116 1121369234 /nfs/dbraw/zinc/36/92/34/1121369234.db2.gz VGJBIJNHHJPAQW-SEYXRHQNSA-N -1 0 374.440 4.071 20 30 FIEDRM O=C([O-])COc1ccc(/C=C/C(=O)c2ccc(N3CCCCC3)cc2)cc1 ZINC000916154427 1121429608 /nfs/dbraw/zinc/42/96/08/1121429608.db2.gz JSHQHIWTLACALK-AWNIVKPZSA-N -1 0 365.429 4.036 20 30 FIEDRM O=C([O-])c1ccc([N-][NH+]=Cc2cc3ccccc3nc2N2CCCCC2)cc1 ZINC000916240851 1121450045 /nfs/dbraw/zinc/45/00/45/1121450045.db2.gz QUOTUVNYOYBZRJ-UHFFFAOYSA-N -1 0 374.444 4.369 20 30 FIEDRM CC(=[NH+][N-]c1cccc(C(=O)[O-])c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000916255403 1121453347 /nfs/dbraw/zinc/45/33/47/1121453347.db2.gz YOWWAHJGJBAXBU-UHFFFAOYSA-N -1 0 355.413 4.350 20 30 FIEDRM O=C([O-])c1cc(NN=Cc2ccc(Br)s2)ccc1Cl ZINC000916259473 1121453749 /nfs/dbraw/zinc/45/37/49/1121453749.db2.gz JJQJXRPINHTHIL-UHFFFAOYSA-N -1 0 359.632 4.308 20 30 FIEDRM COc1cc(/C=C2/Cc3c(cccc3Cl)C2=O)ccc1OCCC(=O)[O-] ZINC000763375376 1121524592 /nfs/dbraw/zinc/52/45/92/1121524592.db2.gz YWKJNHLSADBSII-LCYFTJDESA-N -1 0 372.804 4.025 20 30 FIEDRM CCCc1ccc(C(=O)/C=C/c2ccc(OCCC(=O)[O-])c(OC)c2)cc1 ZINC000763374465 1121525191 /nfs/dbraw/zinc/52/51/91/1121525191.db2.gz SAPWVRLHBGICIO-YRNVUSSQSA-N -1 0 368.429 4.397 20 30 FIEDRM Cc1onc(-c2cccnc2)c1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000671746238 1121665210 /nfs/dbraw/zinc/66/52/10/1121665210.db2.gz YYLGESGOQCVDPW-INIZCTEOSA-N -1 0 354.369 4.083 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cn(CC(C)C)c2ccccc12 ZINC000916875368 1121905327 /nfs/dbraw/zinc/90/53/27/1121905327.db2.gz ZDLIXXUKKXTFAV-GOSISDBHSA-N -1 0 367.493 4.316 20 30 FIEDRM CCCCCNC(=O)C(C#N)=C([O-])c1sc2cccc(C)c2c1Cl ZINC000916877510 1121907261 /nfs/dbraw/zinc/90/72/61/1121907261.db2.gz HKELAXSYQFJFIK-LBPRGKRZSA-N -1 0 362.882 4.492 20 30 FIEDRM N#CC(=C([O-])c1ccc(Cn2cccn2)o1)c1nc(-c2ccccc2)cs1 ZINC000917026524 1122011386 /nfs/dbraw/zinc/01/13/86/1122011386.db2.gz GCOKIOPXHPSQSR-MRXNPFEDSA-N -1 0 374.425 4.138 20 30 FIEDRM O=C([O-])COc1cccc(C(=O)/C=C\c2cccc(OC3CCCC3)c2)c1 ZINC000917516654 1122344383 /nfs/dbraw/zinc/34/43/83/1122344383.db2.gz CEPXMKSTIVNDFF-QXMHVHEDSA-N -1 0 366.413 4.368 20 30 FIEDRM O=C([O-])c1ccc(NN=Cc2ccc(-n3cnc4ccccc43)cc2)cc1 ZINC000917563484 1122354563 /nfs/dbraw/zinc/35/45/63/1122354563.db2.gz MTUIHAWODOOVIG-UHFFFAOYSA-N -1 0 356.385 4.170 20 30 FIEDRM Cc1ccc(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)c(C)n1 ZINC000917659489 1122396257 /nfs/dbraw/zinc/39/62/57/1122396257.db2.gz AOHAZABWWJTBIU-UHFFFAOYSA-N -1 0 370.408 4.049 20 30 FIEDRM Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1c([O-])cccc1F ZINC000129374573 1122580545 /nfs/dbraw/zinc/58/05/45/1122580545.db2.gz CSNRPNGRBYIOBP-UHFFFAOYSA-N -1 0 363.348 4.151 20 30 FIEDRM N#CC(=C([O-])c1ccc(Sc2ccccc2Cl)nn1)c1ccccn1 ZINC000131971662 1123206046 /nfs/dbraw/zinc/20/60/46/1123206046.db2.gz YZOJPSCBAMHJGK-LBPRGKRZSA-N -1 0 366.833 4.166 20 30 FIEDRM Cc1onc(-c2cccnc2)c1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000556934300 1123247356 /nfs/dbraw/zinc/24/73/56/1123247356.db2.gz PIDMOQIGZVMOJR-QGZVFWFLSA-N -1 0 354.369 4.083 20 30 FIEDRM O=C([O-])COc1cccc(C(=O)/C=C\c2csc(-c3ccsc3)n2)c1 ZINC000920064628 1123325190 /nfs/dbraw/zinc/32/51/90/1123325190.db2.gz GZYOTKOGZCGNNB-PLNGDYQASA-N -1 0 371.439 4.231 20 30 FIEDRM COc1cccc2cc(/C=C3/CCc4oc(C(=O)[O-])c(C)c4C3=O)oc21 ZINC000920066115 1123326437 /nfs/dbraw/zinc/32/64/37/1123326437.db2.gz QZYZAYAIOUKKAI-FLIBITNWSA-N -1 0 352.342 4.254 20 30 FIEDRM COc1ccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c2cccnc12 ZINC000920174982 1123404199 /nfs/dbraw/zinc/40/41/99/1123404199.db2.gz RXXGPEZJYINMKH-UHFFFAOYSA-N -1 0 357.753 4.261 20 30 FIEDRM C[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccc(OCC(F)(F)F)cc1 ZINC000920387191 1123450681 /nfs/dbraw/zinc/45/06/81/1123450681.db2.gz MNVCHAACOKPPOB-CPOBKIPGSA-N -1 0 368.311 4.422 20 30 FIEDRM CCCCCCOCc1cccc(N=Cc2c(O)c(C)ncc2CO)c1 ZINC000920863765 1123525256 /nfs/dbraw/zinc/52/52/56/1123525256.db2.gz BYVMMGXGBCPQCT-UHFFFAOYSA-N -1 0 356.466 4.435 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cc([N+](=O)[O-])c1 ZINC000609321838 1123533647 /nfs/dbraw/zinc/53/36/47/1123533647.db2.gz NGINNQDKXINBDY-ZDUSSCGKSA-N -1 0 355.350 4.142 20 30 FIEDRM CN(C)c1ccc(C(F)(F)F)cc1N=Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000920944658 1123540216 /nfs/dbraw/zinc/54/02/16/1123540216.db2.gz HEDSEWQWVGCMRA-UHFFFAOYSA-N -1 0 353.300 4.136 20 30 FIEDRM CCOc1ccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc1OCC ZINC000920987336 1123549038 /nfs/dbraw/zinc/54/90/38/1123549038.db2.gz UAHQPGSYOUSKOK-UHFFFAOYSA-N -1 0 362.813 4.282 20 30 FIEDRM C[C@H](C#N)CSc1ccccc1NC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000609387840 1123699848 /nfs/dbraw/zinc/69/98/48/1123699848.db2.gz KAUZOPMDUIBWMC-GDBMZVCRSA-N -1 0 368.458 4.135 20 30 FIEDRM C[C@@H](OCC1CC1)C(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000064667442 1123909718 /nfs/dbraw/zinc/90/97/18/1123909718.db2.gz JYIWEAJOAIORJE-CQSZACIVSA-N -1 0 365.495 4.195 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccccc2OC[C@@H]2CCCO2)n1 ZINC000080449686 1123965886 /nfs/dbraw/zinc/96/58/86/1123965886.db2.gz BYCVIGRDPMZKGX-HOCLYGCPSA-N -1 0 370.474 4.314 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2oc3ccc(F)cc3c2C)n1 ZINC000067896554 1123982875 /nfs/dbraw/zinc/98/28/75/1123982875.db2.gz WQNMOWPGZQKDDD-GFCCVEGCSA-N -1 0 372.377 4.004 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2oc3c(cccc3C)c2C)n1 ZINC000067897276 1123985430 /nfs/dbraw/zinc/98/54/30/1123985430.db2.gz VHQOEFINVQCYBC-CYBMUJFWSA-N -1 0 368.414 4.173 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2ccccc2SCC(F)(F)F)cc1[O-] ZINC000615448886 1124013161 /nfs/dbraw/zinc/01/31/61/1124013161.db2.gz XDKISKAGWDFBID-UHFFFAOYSA-N -1 0 352.337 4.171 20 30 FIEDRM N#Cc1ccc([O-])c(NC(=O)c2cc(-c3cccnc3)nc3ccccc32)c1 ZINC000179731881 1124038538 /nfs/dbraw/zinc/03/85/38/1124038538.db2.gz ILWMLCQJJBELJK-UHFFFAOYSA-N -1 0 366.380 4.126 20 30 FIEDRM N#Cc1cccc(COc2cccc(/C=C/c3ncc(C(=O)[O-])s3)c2)c1 ZINC000110314646 1124733671 /nfs/dbraw/zinc/73/36/71/1124733671.db2.gz FWDHEULCAQFUNH-BQYQJAHWSA-N -1 0 362.410 4.462 20 30 FIEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000063878727 1124960283 /nfs/dbraw/zinc/96/02/83/1124960283.db2.gz ZZBCLCRROKQUIN-UHFFFAOYSA-N -1 0 374.771 4.340 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cnn1C(C)C ZINC000092695316 1125235922 /nfs/dbraw/zinc/23/59/22/1125235922.db2.gz MCLGBKHVCIJWCF-OAHLLOKOSA-N -1 0 350.447 4.386 20 30 FIEDRM N#Cc1ccc2c(c1)CC[C@H]2N=c1[n-]nc(Cc2ccc(Cl)cc2)s1 ZINC000618694071 1125247452 /nfs/dbraw/zinc/24/74/52/1125247452.db2.gz XIWFOVWGHHXLAM-QGZVFWFLSA-N -1 0 366.877 4.175 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2C(=O)c2cccs2)n1 ZINC000048787316 205165607 /nfs/dbraw/zinc/16/56/07/205165607.db2.gz KBEZBPNHZFIXKI-AWEZNQCLSA-N -1 0 352.440 4.234 20 30 FIEDRM C=CC[C@@H](C(=O)NCc1ccc(O)c(Br)c1)c1ccccc1 ZINC000186908364 568012165 /nfs/dbraw/zinc/01/21/65/568012165.db2.gz YDBGJWRAKHXFDU-OAHLLOKOSA-N -1 0 360.251 4.131 20 30 FIEDRM C=CC[C@H](C(=O)NCc1ccc(O)c(Br)c1)c1ccccc1 ZINC000186908345 568012172 /nfs/dbraw/zinc/01/21/72/568012172.db2.gz YDBGJWRAKHXFDU-HNNXBMFYSA-N -1 0 360.251 4.131 20 30 FIEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000603975417 568192749 /nfs/dbraw/zinc/19/27/49/568192749.db2.gz XJBUTUMJPFODNR-UHFFFAOYSA-N -1 0 352.818 4.081 20 30 FIEDRM Cc1ncc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)c(C(C)C)n1 ZINC000604135042 568215745 /nfs/dbraw/zinc/21/57/45/568215745.db2.gz NNFBLJHBPQFBDX-GFCCVEGCSA-N -1 0 354.410 4.147 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cnc(Cc3ccc(F)cc3)s2)n1 ZINC000066229990 1125518170 /nfs/dbraw/zinc/51/81/70/1125518170.db2.gz ALBFELORMSHYES-CYBMUJFWSA-N -1 0 357.435 4.128 20 30 FIEDRM N#CC(=C([O-])C=CC1CCOCC1)c1nc(-c2c(F)cccc2F)cs1 ZINC000112223065 1125536373 /nfs/dbraw/zinc/53/63/73/1125536373.db2.gz ABTUOOLKAPKRGG-IHVVCDCBSA-N -1 0 374.412 4.247 20 30 FIEDRM CCc1c(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccn1C ZINC000572568558 1125753150 /nfs/dbraw/zinc/75/31/50/1125753150.db2.gz ZCYJJRIIRDSNRS-INIZCTEOSA-N -1 0 360.442 4.073 20 30 FIEDRM Cc1ccc(-c2nc(/C=C\C(=O)c3ccc([O-])c([N+](=O)[O-])c3)co2)cc1 ZINC000255030077 1080428504 /nfs/dbraw/zinc/42/85/04/1080428504.db2.gz GQLFYGQWFHIMIZ-CLFYSBASSA-N -1 0 350.330 4.160 20 30 FIEDRM CSc1ccc2c(c1)CC/C(=C/c1cccc(O[C@@H](C)C(=O)[O-])c1)C2=O ZINC000748148583 1081609799 /nfs/dbraw/zinc/60/97/99/1081609799.db2.gz UZFAYCVHNQPREM-ATTDUZETSA-N -1 0 368.454 4.473 20 30 FIEDRM C=CCn1c(-c2sc(NC(=O)C3(CC)CCC3)nc2C)n[nH]c1=S ZINC000175928124 1081832941 /nfs/dbraw/zinc/83/29/41/1081832941.db2.gz BHFZLUUTCOMEFO-UHFFFAOYSA-N -1 0 363.512 4.077 20 30 FIEDRM O=C([N-]S(=O)(=O)c1cccc(Cl)c1)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000050204782 1081921512 /nfs/dbraw/zinc/92/15/12/1081921512.db2.gz IARMVOZEHHOFSW-GJZGRUSLSA-N -1 0 370.257 4.442 20 30 FIEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)c1 ZINC000050204665 1081921692 /nfs/dbraw/zinc/92/16/92/1081921692.db2.gz JZIUKUFXWMYXCI-HZPDHXFCSA-N -1 0 363.866 4.406 20 30 FIEDRM N#CC(=C([O-])c1nc2c(s1)CCC2)c1nc2cc(Cl)ccc2s1 ZINC000565647861 1081926918 /nfs/dbraw/zinc/92/69/18/1081926918.db2.gz AAARTBRFRLYRCI-VIFPVBQESA-N -1 0 359.863 4.385 20 30 FIEDRM C[C@@H]1CCN(c2cc(C([O-])=C(C#N)c3nc4ccccc4s3)ccn2)C1 ZINC000548134697 1082141542 /nfs/dbraw/zinc/14/15/42/1082141542.db2.gz MQJICEYFZWFAIY-UKRRQHHQSA-N -1 0 362.458 4.028 20 30 FIEDRM COCc1nc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)co1 ZINC000548137400 1082167754 /nfs/dbraw/zinc/16/77/54/1082167754.db2.gz PHOHTQXQMCHSAP-LBPRGKRZSA-N -1 0 373.821 4.088 20 30 FIEDRM Cc1c(C(=O)/C=C/c2cc(Cl)c([O-])cc2Cl)cnn1-c1ccccn1 ZINC000134413710 1082420811 /nfs/dbraw/zinc/42/08/11/1082420811.db2.gz UIBPZPYJWPNRJG-AATRIKPKSA-N -1 0 374.227 4.484 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(C(F)(F)F)nc2)s1 ZINC000430596990 1082553174 /nfs/dbraw/zinc/55/31/74/1082553174.db2.gz KPPILIFKRUZANP-SNVBAGLBSA-N -1 0 353.369 4.344 20 30 FIEDRM O=C1[C@@H](/N=C\c2cc(Cl)cc(Cl)c2[O-])CCN1c1ccccc1F ZINC000255311807 1082610793 /nfs/dbraw/zinc/61/07/93/1082610793.db2.gz LAKHVDHRFDAWCG-DGKJUAPTSA-N -1 0 367.207 4.063 20 30 FIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cc(C(C)C)[nH]n3)n2)cc1 ZINC000051153999 1082782104 /nfs/dbraw/zinc/78/21/04/1082782104.db2.gz QWGRCRBZIQZCEF-AWEZNQCLSA-N -1 0 350.447 4.455 20 30 FIEDRM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCc1c[nH]c2ccccc12 ZINC000077881654 1082797904 /nfs/dbraw/zinc/79/79/04/1082797904.db2.gz AOMYZQFRKNIZMF-AWEZNQCLSA-N -1 0 356.447 4.148 20 30 FIEDRM CC(=O)Nc1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cc1F ZINC000430644330 1082828583 /nfs/dbraw/zinc/82/85/83/1082828583.db2.gz NDGRJFHFBMKJOL-LBPRGKRZSA-N -1 0 359.426 4.028 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccn(Cc3ccccc3)n2)n1 ZINC000548466940 1083389303 /nfs/dbraw/zinc/38/93/03/1083389303.db2.gz AZJYAKUZGLOLJD-HNNXBMFYSA-N -1 0 350.447 4.001 20 30 FIEDRM CCCn1ncc(C([O-])=C(C#N)c2nc3ccccc3s2)c1C1CC1 ZINC000535741325 1083613425 /nfs/dbraw/zinc/61/34/25/1083613425.db2.gz UVXXBZNDVUYJED-ZDUSSCGKSA-N -1 0 350.447 4.270 20 30 FIEDRM Cn1cc(/C=C\C(=O)c2ccc([O-])c(Cl)c2)c(-c2ccc(C#N)cc2)n1 ZINC000588480235 1083862262 /nfs/dbraw/zinc/86/22/62/1083862262.db2.gz BGLZJGJNNOVKSA-FPLPWBNLSA-N -1 0 363.804 4.214 20 30 FIEDRM COc1ccc2c(c1)CCC[C@H]2CC(=O)[N-]S(=O)(=O)c1cccc(C)c1 ZINC000066002671 1083944162 /nfs/dbraw/zinc/94/41/62/1083944162.db2.gz YSIHGHIBGWUBCO-INIZCTEOSA-N -1 0 373.474 4.159 20 30 FIEDRM CCN(C(C)=O)c1nc(/C=C\C(=O)c2ccc3ccccc3c2[O-])cs1 ZINC000255471521 1084392249 /nfs/dbraw/zinc/39/22/49/1084392249.db2.gz MBAIZPJNXZPTIF-LUAWRHEFSA-N -1 0 366.442 4.271 20 30 FIEDRM O=C([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000066504436 1084573456 /nfs/dbraw/zinc/57/34/56/1084573456.db2.gz PUGAZYDSNUQQRC-LSDHHAIUSA-N -1 0 369.364 4.154 20 30 FIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3n[nH]c4c3CCCC4)n2)cc1 ZINC000613314221 1084582045 /nfs/dbraw/zinc/58/20/45/1084582045.db2.gz BRYJWYAYKSQYOS-OAHLLOKOSA-N -1 0 362.458 4.211 20 30 FIEDRM Cc1nn(Cc2ccccc2)c(C)c1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000066516876 1084602444 /nfs/dbraw/zinc/60/24/44/1084602444.db2.gz SMOHQEVICGMBOE-QGZVFWFLSA-N -1 0 370.412 4.180 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccnc(Cl)c3)n2)cc1 ZINC000066543521 1084637602 /nfs/dbraw/zinc/63/76/02/1084637602.db2.gz IBLZBMDDAJWJHP-AWEZNQCLSA-N -1 0 369.833 4.357 20 30 FIEDRM Cc1c(Br)cccc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000174014779 1084720899 /nfs/dbraw/zinc/72/08/99/1084720899.db2.gz GGMWMGRACLGFHA-LBPRGKRZSA-N -1 0 355.191 4.389 20 30 FIEDRM CC(C)(C)c1nc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cs1 ZINC000464461855 1084762291 /nfs/dbraw/zinc/76/22/91/1084762291.db2.gz BQZUVJRCQWVECQ-SNVBAGLBSA-N -1 0 353.369 4.344 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2csc(Cc3ccc(F)cc3)n2)n1 ZINC000170709313 1084845861 /nfs/dbraw/zinc/84/58/61/1084845861.db2.gz AKAAGZRLOBNAOX-CYBMUJFWSA-N -1 0 357.435 4.128 20 30 FIEDRM COc1cccc(NN=C(C)c2ccc(-c3ccc(C(=O)[O-])o3)cc2)c1 ZINC000725853734 1084851210 /nfs/dbraw/zinc/85/12/10/1084851210.db2.gz ZLZGULMBNDBNHF-UHFFFAOYSA-N -1 0 350.374 4.490 20 30 FIEDRM C[S@](=O)c1cccc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)c1 ZINC000613760116 1085250192 /nfs/dbraw/zinc/25/01/92/1085250192.db2.gz BWDVGXIUOLCPCG-RZFZLAGVSA-N -1 0 374.874 4.177 20 30 FIEDRM C[S@@](=O)c1cccc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)c1 ZINC000613760117 1085250667 /nfs/dbraw/zinc/25/06/67/1085250667.db2.gz BWDVGXIUOLCPCG-YEBMWUKDSA-N -1 0 374.874 4.177 20 30 FIEDRM CO[C@@H](C)C(=O)Nc1cccc(N=Cc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000255518844 1085361358 /nfs/dbraw/zinc/36/13/58/1085361358.db2.gz KBCCWLKBSHKJEJ-JTQLQIEISA-N -1 0 367.232 4.423 20 30 FIEDRM Cc1cc(S(=O)(=O)[N-]C(=O)CCCOCc2ccccc2)c(C)s1 ZINC000051901443 1085707733 /nfs/dbraw/zinc/70/77/33/1085707733.db2.gz LULPUSVGTAHOLG-UHFFFAOYSA-N -1 0 367.492 4.007 20 30 FIEDRM Cc1ccc(N=Cc2cc(Cl)cc(Cl)c2[O-])cc1C(=O)N(C)C ZINC000255549836 1085744738 /nfs/dbraw/zinc/74/47/38/1085744738.db2.gz VBUOKHABFKGRPN-UHFFFAOYSA-N -1 0 351.233 4.460 20 30 FIEDRM Cc1cc(C(C#N)=C([O-])c2csc(-c3cccc(Cl)c3)n2)nc(C)n1 ZINC000049406075 1086019858 /nfs/dbraw/zinc/01/98/58/1086019858.db2.gz LDEYCYLQCJKITM-CQSZACIVSA-N -1 0 368.849 4.360 20 30 FIEDRM CCOc1ccc(N(CCC#N)C(=O)c2cc(F)c([O-])c(Cl)c2)cc1 ZINC000184373599 1086081674 /nfs/dbraw/zinc/08/16/74/1086081674.db2.gz VBIYHDDQRYUZTP-UHFFFAOYSA-N -1 0 362.788 4.144 20 30 FIEDRM CCC(N=Nc1nc(C(F)(F)F)cs1)c1cc(C(=O)[O-])ccc1F ZINC000756894843 1086533318 /nfs/dbraw/zinc/53/33/18/1086533318.db2.gz AHJUULOHENHGLQ-UHFFFAOYSA-N -1 0 361.320 4.225 20 30 FIEDRM CCOCCOc1ccccc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000080454465 1086738606 /nfs/dbraw/zinc/73/86/06/1086738606.db2.gz TVAIGMJPQDDZQA-OAHLLOKOSA-N -1 0 358.463 4.172 20 30 FIEDRM C=CCCCS(=O)(=O)[N-]c1nc(-c2ccc(OC(F)F)cc2)cs1 ZINC000427783021 1086915918 /nfs/dbraw/zinc/91/59/18/1086915918.db2.gz UBMMAULMFBVMSZ-UHFFFAOYSA-N -1 0 374.434 4.119 20 30 FIEDRM N#CCCSc1ccccc1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000159886510 1087376713 /nfs/dbraw/zinc/37/67/13/1087376713.db2.gz SPWIKSQYJYPFKL-UHFFFAOYSA-N -1 0 363.345 4.131 20 30 FIEDRM N#Cc1ccc(CN=c2[n-]nc(C3CCCCC3)o2)c(C(F)(F)F)c1 ZINC000573261689 1087435873 /nfs/dbraw/zinc/43/58/73/1087435873.db2.gz TYUQGNVVXZHNEK-UHFFFAOYSA-N -1 0 350.344 4.042 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc(C3CC3)cs2)cnn1-c1ccccc1F ZINC000647375305 1087794914 /nfs/dbraw/zinc/79/49/14/1087794914.db2.gz WPEIIEZFDQTYNW-ZDUSSCGKSA-N -1 0 366.421 4.144 20 30 FIEDRM CCCCn1ncc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c1C ZINC000122121967 1087872219 /nfs/dbraw/zinc/87/22/19/1087872219.db2.gz LOBYUBUHMYWBRO-HNNXBMFYSA-N -1 0 365.462 4.000 20 30 FIEDRM CCCn1nccc1C([O-])=C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000659041817 1087956523 /nfs/dbraw/zinc/95/65/23/1087956523.db2.gz INAIRBZVWWMAAX-OAHLLOKOSA-N -1 0 350.447 4.215 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cc(C#N)cs3)n2)cc1 ZINC000176471456 1087972477 /nfs/dbraw/zinc/97/24/77/1087972477.db2.gz UBGLVTRWWSJZQQ-AWEZNQCLSA-N -1 0 365.439 4.242 20 30 FIEDRM N#CC(=C([O-])c1c[nH]nc1-c1ccoc1)c1nc2cc(Cl)ccc2s1 ZINC000434622029 1088842054 /nfs/dbraw/zinc/84/20/54/1088842054.db2.gz ZSYHEYUCOLGHAO-NSHDSACASA-N -1 0 368.805 4.423 20 30 FIEDRM CCOc1ccc([N+](=O)[O-])c(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1 ZINC000549161423 1089083239 /nfs/dbraw/zinc/08/32/39/1089083239.db2.gz LUQYFPORSAHHBV-CYBMUJFWSA-N -1 0 359.407 4.063 20 30 FIEDRM CCOc1ccc([N+](=O)[O-])c(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1 ZINC000549161430 1089083338 /nfs/dbraw/zinc/08/33/38/1089083338.db2.gz LUQYFPORSAHHBV-ZDUSSCGKSA-N -1 0 359.407 4.063 20 30 FIEDRM N#CC(=C([O-])c1cc(C2CCCCC2)[nH]n1)c1ccc(C(F)(F)F)cn1 ZINC000136158774 1089086857 /nfs/dbraw/zinc/08/68/57/1089086857.db2.gz JKGMNCOLJOUSBE-ZDUSSCGKSA-N -1 0 362.355 4.361 20 30 FIEDRM C[C@@H]1CCc2onc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)c2C1 ZINC000514651773 1089309632 /nfs/dbraw/zinc/30/96/32/1089309632.db2.gz GETODMREKPZMKH-PWSUYJOCSA-N -1 0 370.359 4.034 20 30 FIEDRM CSc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000435164645 1089375144 /nfs/dbraw/zinc/37/51/44/1089375144.db2.gz KEMYFQBFNSRVNK-UHFFFAOYSA-N -1 0 372.393 4.100 20 30 FIEDRM CC(=Cc1ccc(-c2nc3ccccc3s2)o1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435335004 1089540004 /nfs/dbraw/zinc/54/00/04/1089540004.db2.gz DSGQQNKLMVZNEE-LUAWRHEFSA-N -1 0 374.425 4.380 20 30 FIEDRM CC(=Cc1cc(Cl)cc(C(F)(F)F)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435336079 1089542253 /nfs/dbraw/zinc/54/22/53/1089542253.db2.gz MJOVUNMTECUZHT-BAQGIRSFSA-N -1 0 353.731 4.183 20 30 FIEDRM CC(=Cc1cc(C(F)(F)F)ccc1Cl)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435340161 1089546301 /nfs/dbraw/zinc/54/63/01/1089546301.db2.gz DCXHIISKQSWEPP-YVMONPNESA-N -1 0 353.731 4.183 20 30 FIEDRM Cc1cc(Cl)cc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)c1O ZINC000515203814 1089884885 /nfs/dbraw/zinc/88/48/85/1089884885.db2.gz PHCZVFVMCRAVPU-UHFFFAOYSA-N -1 0 353.765 4.133 20 30 FIEDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)ccc1C#N ZINC000435729182 1089900615 /nfs/dbraw/zinc/90/06/15/1089900615.db2.gz SZWUGEXDGNPTIJ-CQSZACIVSA-N -1 0 371.487 4.062 20 30 FIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cc(C(C)C)[nH]n3)n2)cc1 ZINC000051154000 1089964298 /nfs/dbraw/zinc/96/42/98/1089964298.db2.gz QWGRCRBZIQZCEF-CQSZACIVSA-N -1 0 350.447 4.455 20 30 FIEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc4c(s3)CCCCC4)nc1-2 ZINC000330227396 1090558412 /nfs/dbraw/zinc/55/84/12/1090558412.db2.gz BZNHNDKHDMLENJ-ZDUSSCGKSA-N -1 0 350.447 4.087 20 30 FIEDRM CCn1nccc1C([O-])=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000123686342 1091201673 /nfs/dbraw/zinc/20/16/73/1091201673.db2.gz QRXQHTMKZSAZLV-ZDUSSCGKSA-N -1 0 356.838 4.170 20 30 FIEDRM CO[C@@H](C)c1nc(=Nc2ccc(Oc3ccccc3C#N)cc2)s[n-]1 ZINC000509725848 1091283504 /nfs/dbraw/zinc/28/35/04/1091283504.db2.gz GGZDJWHQTCMIER-LBPRGKRZSA-N -1 0 352.419 4.075 20 30 FIEDRM CSC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000067001226 1091777592 /nfs/dbraw/zinc/77/75/92/1091777592.db2.gz QOHFWJUKPAVUMW-ZDUSSCGKSA-N -1 0 355.525 4.379 20 30 FIEDRM N#C[C@H](C(=O)c1cnc2c(F)cccc2c1)c1cc(C(F)(F)F)ccn1 ZINC000429581896 1092339201 /nfs/dbraw/zinc/33/92/01/1092339201.db2.gz XKQNBORVULBOIM-ZDUSSCGKSA-N -1 0 359.282 4.278 20 30 FIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cc(C4CC4)n(C)n3)n2)cc1 ZINC000442671915 1092715969 /nfs/dbraw/zinc/71/59/69/1092715969.db2.gz HJRDGOUQNLGKMB-HNNXBMFYSA-N -1 0 362.458 4.220 20 30 FIEDRM C=CCC[C@@H](NC(=O)Nc1ccc(C)c(Oc2cc(C)ccn2)c1)C(=O)[O-] ZINC000521977060 1093012620 /nfs/dbraw/zinc/01/26/20/1093012620.db2.gz WDWNQBSTVJLGED-MRXNPFEDSA-N -1 0 369.421 4.032 20 30 FIEDRM CC(C)(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000522358070 1093397343 /nfs/dbraw/zinc/39/73/43/1093397343.db2.gz QIPGDAHJIPINMM-UHFFFAOYSA-N -1 0 364.854 4.190 20 30 FIEDRM CCSc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cn1 ZINC000114620367 1093659592 /nfs/dbraw/zinc/65/95/92/1093659592.db2.gz ZSOCGXLNHIVPTN-CQSZACIVSA-N -1 0 366.471 4.202 20 30 FIEDRM N#CC(=C([O-])c1csc(C2CC2)n1)c1nc(-c2ccncc2)cs1 ZINC000114619785 1093659788 /nfs/dbraw/zinc/65/97/88/1093659788.db2.gz XGMQMPZUGPUJHD-GFCCVEGCSA-N -1 0 352.444 4.029 20 30 FIEDRM CCn1cc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cn1 ZINC000114618335 1093659812 /nfs/dbraw/zinc/65/98/12/1093659812.db2.gz KKMJNLHYSJYMHO-CQSZACIVSA-N -1 0 356.838 4.170 20 30 FIEDRM CCSc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cn1 ZINC000114620369 1093659817 /nfs/dbraw/zinc/65/98/17/1093659817.db2.gz ZSOCGXLNHIVPTN-AWEZNQCLSA-N -1 0 366.471 4.202 20 30 FIEDRM N#CC(=C([O-])c1csc(C2CC2)n1)c1nc(-c2ccncc2)cs1 ZINC000114619783 1093660027 /nfs/dbraw/zinc/66/00/27/1093660027.db2.gz XGMQMPZUGPUJHD-LBPRGKRZSA-N -1 0 352.444 4.029 20 30 FIEDRM CSc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000185339890 1093708337 /nfs/dbraw/zinc/70/83/37/1093708337.db2.gz ATELJOPCUYVVTM-UHFFFAOYSA-N -1 0 352.868 4.043 20 30 FIEDRM C=CCCCN(C)C(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000237043328 1093715630 /nfs/dbraw/zinc/71/56/30/1093715630.db2.gz BCOYZLNRRSKQNP-UHFFFAOYSA-N -1 0 359.447 4.308 20 30 FIEDRM COc1ccc2oc(C(=O)/C=C/c3ccc([O-])c([N+](=O)[O-])c3)c(C)c2c1 ZINC000729150264 1093934919 /nfs/dbraw/zinc/93/49/19/1093934919.db2.gz JIRYYRLEEIDVOQ-QPJJXVBHSA-N -1 0 353.330 4.260 20 30 FIEDRM CCCCCNC(=O)C(C#N)=C([O-])c1sc2cc(C)ccc2c1Cl ZINC000729186430 1093941568 /nfs/dbraw/zinc/94/15/68/1093941568.db2.gz HZDBHHNVBRYMON-ZDUSSCGKSA-N -1 0 362.882 4.492 20 30 FIEDRM CC(=O)c1ccc(-c2ccc(C([O-])=C(C#N)c3nc(C)cs3)o2)cc1 ZINC000513692885 1094330447 /nfs/dbraw/zinc/33/04/47/1094330447.db2.gz WLBTYYNXJQSIJI-OAHLLOKOSA-N -1 0 350.399 4.404 20 30 FIEDRM CSCc1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cc1 ZINC000041555802 1094632043 /nfs/dbraw/zinc/63/20/43/1094632043.db2.gz GYLYUECSHWMFEP-AWEZNQCLSA-N -1 0 350.365 4.453 20 30 FIEDRM COc1ccc(-c2nc(C([O-])=C(C#N)c3nc(C)cs3)cs2)cc1 ZINC000041518574 1094642499 /nfs/dbraw/zinc/64/24/99/1094642499.db2.gz JWMMQKHHFPWMFF-CYBMUJFWSA-N -1 0 355.444 4.074 20 30 FIEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cc1 ZINC000041537516 1094646946 /nfs/dbraw/zinc/64/69/46/1094646946.db2.gz XYUMLGJYKWNUKH-INIZCTEOSA-N -1 0 362.410 4.087 20 30 FIEDRM CS(=O)(=O)Nc1ccccc1NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000329038476 1094721149 /nfs/dbraw/zinc/72/11/49/1094721149.db2.gz ZNERUJQCMQQYMB-SOUVJXGZSA-N -1 0 350.484 4.253 20 30 FIEDRM COc1ccc2c(c1)CN(C(=O)N=c1cn[n-]s1)[C@H](C1CCCCC1)C2 ZINC000330271090 1095444192 /nfs/dbraw/zinc/44/41/92/1095444192.db2.gz VJFGJWUUWZIGCH-KRWDZBQOSA-N -1 0 372.494 4.099 20 30 FIEDRM N#CC(=C([O-])c1cnccc1Oc1ccccc1)c1cnc2ccccc2n1 ZINC000502741200 1095758799 /nfs/dbraw/zinc/75/87/99/1095758799.db2.gz PORSFVGQPQMTIX-MRXNPFEDSA-N -1 0 366.380 4.307 20 30 FIEDRM CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1Cl ZINC000502790886 1095826233 /nfs/dbraw/zinc/82/62/33/1095826233.db2.gz DMMDKQNWFBKWBN-UHFFFAOYSA-N -1 0 371.245 4.065 20 30 FIEDRM CCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(C)c1 ZINC000502815061 1095866387 /nfs/dbraw/zinc/86/63/87/1095866387.db2.gz NOFGBGBWVVMGTJ-UHFFFAOYSA-N -1 0 364.854 4.110 20 30 FIEDRM O=C(c1ccc(C/N=C/c2cc(Cl)ccc2O)cc1)N1CCCCC1 ZINC000016937131 1096462526 /nfs/dbraw/zinc/46/25/26/1096462526.db2.gz IQRQRCQCBCQCOH-HYARGMPZSA-N -1 0 356.853 4.291 20 30 FIEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436717225 1099249912 /nfs/dbraw/zinc/24/99/12/1099249912.db2.gz SMSAXQILUBSZOK-UHFFFAOYSA-N -1 0 365.836 4.181 20 30 FIEDRM O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cc(F)c([O-])c(Cl)c1 ZINC000436853466 1099354820 /nfs/dbraw/zinc/35/48/20/1099354820.db2.gz COPODVXQESBFIF-UHFFFAOYSA-N -1 0 366.779 4.232 20 30 FIEDRM C=CCc1cc(/C=C(/CC(=O)[O-])c2nc3ccccc3o2)cc(OC)c1O ZINC000436938196 1099449151 /nfs/dbraw/zinc/44/91/51/1099449151.db2.gz IFJMJBWAUYTYAZ-GDNBJRDFSA-N -1 0 365.385 4.286 20 30 FIEDRM N#Cc1ccc(NC(=O)CC2(C(=O)[O-])CCCCCC2)cc1C(F)(F)F ZINC000438762651 1100902218 /nfs/dbraw/zinc/90/22/18/1100902218.db2.gz WRCUTOXXUZZJSY-UHFFFAOYSA-N -1 0 368.355 4.331 20 30 FIEDRM Cc1ncccc1C([O-])=C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000426182868 1100953639 /nfs/dbraw/zinc/95/36/39/1100953639.db2.gz KXKNROOMCNQYHZ-LBPRGKRZSA-N -1 0 355.369 4.282 20 30 FIEDRM Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000190669847 1101332815 /nfs/dbraw/zinc/33/28/15/1101332815.db2.gz YPUIDOWIFYSDPP-UHFFFAOYSA-N -1 0 371.396 4.077 20 30 FIEDRM N#CC(=C([O-])c1csc(-c2ccccn2)n1)c1nc2ccccc2s1 ZINC000760151476 1101431862 /nfs/dbraw/zinc/43/18/62/1101431862.db2.gz RQJOWJQKBRQMJJ-LLVKDONJSA-N -1 0 362.439 4.305 20 30 FIEDRM N#CC(=C([O-])c1csc(-c2cccc(C(F)(F)F)c2)n1)c1ccncn1 ZINC000546153664 1101744273 /nfs/dbraw/zinc/74/42/73/1101744273.db2.gz OGHWETJSPVDNEF-LBPRGKRZSA-N -1 0 374.347 4.109 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc3cc(C)ccc3s2)n1 ZINC000519039542 1101870480 /nfs/dbraw/zinc/87/04/80/1101870480.db2.gz KLHVPNSHOKSBEO-LBPRGKRZSA-N -1 0 370.455 4.333 20 30 FIEDRM CC(C)(C(=O)[N-]S(=O)(=O)c1ccccc1F)c1ccc(Cl)cc1 ZINC000054428800 1102238548 /nfs/dbraw/zinc/23/85/48/1102238548.db2.gz GSIBJOKGOCGDSL-UHFFFAOYSA-N -1 0 355.818 4.102 20 30 FIEDRM N#CC(=C([O-])c1ccn(-c2ccccc2)n1)c1nc(-c2ccccc2)cs1 ZINC000122365349 1102567210 /nfs/dbraw/zinc/56/72/10/1102567210.db2.gz CJAYDUSIYDKYDI-QGZVFWFLSA-N -1 0 370.437 4.486 20 30 FIEDRM CC(C)(C)c1csc(CC/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000729641494 1102821821 /nfs/dbraw/zinc/82/18/21/1102821821.db2.gz KGCPTRQVPSPRJK-LSCVHKIXSA-N -1 0 367.858 4.369 20 30 FIEDRM Cc1cc(C#N)ccc1C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000532697645 1102985455 /nfs/dbraw/zinc/98/54/55/1102985455.db2.gz DYSGOJVDTRSMCW-UHFFFAOYSA-N -1 0 365.614 4.241 20 30 FIEDRM CCO[C@@H](C)c1ncc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)s1 ZINC000430603405 1103805248 /nfs/dbraw/zinc/80/52/48/1103805248.db2.gz NHSCLVZHAVYNOL-QWRGUYRKSA-N -1 0 363.508 4.485 20 30 FIEDRM Cc1c2cc(Cl)ccc2oc1C([O-])=C(C#N)C(=O)NCc1ccccc1 ZINC000126742095 1104162570 /nfs/dbraw/zinc/16/25/70/1104162570.db2.gz KJLHKYGTRNHEGW-INIZCTEOSA-N -1 0 366.804 4.034 20 30 FIEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000141253717 1104177139 /nfs/dbraw/zinc/17/71/39/1104177139.db2.gz UWUOZHNRRXSZPC-UHFFFAOYSA-N -1 0 360.744 4.031 20 30 FIEDRM Cn1cc(C#N)cc1C(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC000129484908 1104259301 /nfs/dbraw/zinc/25/93/01/1104259301.db2.gz HCXBVMJCAPDNOX-UHFFFAOYSA-N -1 0 374.425 4.131 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)nn1C(F)F ZINC000536440786 1104959743 /nfs/dbraw/zinc/95/97/43/1104959743.db2.gz XUVOYQYJOXYTQF-LBPRGKRZSA-N -1 0 358.373 4.200 20 30 FIEDRM CCCc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C#N)ccc2NC)c1 ZINC000507918998 1105267064 /nfs/dbraw/zinc/26/70/64/1105267064.db2.gz PZRFJBCPBIJRHM-UHFFFAOYSA-N -1 0 363.870 4.007 20 30 FIEDRM Cc1csc(S(=O)(=O)[N-]c2ccccc2SC[C@@H](C)C#N)c1 ZINC000451014453 1106896180 /nfs/dbraw/zinc/89/61/80/1106896180.db2.gz LTQBTQHGGWJKOJ-LBPRGKRZSA-N -1 0 352.506 4.109 20 30 FIEDRM Cc1nc(CC2CC2)sc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1 ZINC000530553352 1107135902 /nfs/dbraw/zinc/13/59/02/1107135902.db2.gz ZCGPENSKRQAVOZ-CYBMUJFWSA-N -1 0 350.447 4.079 20 30 FIEDRM N#CC(=C([O-])c1cccc(Oc2cnccn2)c1)c1nc2ccccc2s1 ZINC000523048201 1107302938 /nfs/dbraw/zinc/30/29/38/1107302938.db2.gz HCOJAOVKCCHFKS-OAHLLOKOSA-N -1 0 372.409 4.369 20 30 FIEDRM C=CCn1c(=O)c2ccc(C(=O)NC3CCCCCCC3)cc2[n-]c1=S ZINC000026537998 1107809435 /nfs/dbraw/zinc/80/94/35/1107809435.db2.gz DFYONQBDCUTODL-UHFFFAOYSA-N -1 0 371.506 4.088 20 30 FIEDRM CC(F)(F)c1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cn1 ZINC000453790910 1108739474 /nfs/dbraw/zinc/73/94/74/1108739474.db2.gz DMXWHERTJMQWAW-NSHDSACASA-N -1 0 355.266 4.097 20 30 FIEDRM CCC(CC)CN(CCC#N)C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000194045854 1108807071 /nfs/dbraw/zinc/80/70/71/1108807071.db2.gz CBPBTTVGLMPVQG-UHFFFAOYSA-N -1 0 374.872 4.023 20 30 FIEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)sc3c2)c1C#N ZINC000440833110 1108941283 /nfs/dbraw/zinc/94/12/83/1108941283.db2.gz QYKGSHIYODTZLE-UHFFFAOYSA-N -1 0 369.471 4.155 20 30 FIEDRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@@H](C)c3ccc(C#N)cc3)n2)cc1 ZINC000525235676 1109314501 /nfs/dbraw/zinc/31/45/01/1109314501.db2.gz UDCONOJBBXFPLI-HNNXBMFYSA-N -1 0 374.444 4.064 20 30 FIEDRM CO[C@@H](C)c1nc(=Nc2ccc(Oc3ccc(C#N)cc3)cc2)s[n-]1 ZINC000509641621 1109449788 /nfs/dbraw/zinc/44/97/88/1109449788.db2.gz UGVJKTIYTIJDNB-LBPRGKRZSA-N -1 0 352.419 4.075 20 30 FIEDRM CCCCCOc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000127354183 1110159787 /nfs/dbraw/zinc/15/97/87/1110159787.db2.gz PCEQPLOVPWYLKB-LJQANCHMSA-N -1 0 356.466 4.027 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2coc3ccc(CC)cc32)n1 ZINC000552276984 1111656009 /nfs/dbraw/zinc/65/60/09/1111656009.db2.gz NSEDFNMUIXYFQI-CYBMUJFWSA-N -1 0 368.414 4.118 20 30 FIEDRM Cn1nc2ccccc2c1C([O-])=C(C#N)c1nc(-c2ccccc2)cs1 ZINC000478088804 1111680115 /nfs/dbraw/zinc/68/01/15/1111680115.db2.gz UFBLSSCZENLRFL-OAHLLOKOSA-N -1 0 358.426 4.187 20 30 FIEDRM CC(C)(C)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1O ZINC000479533260 1112059686 /nfs/dbraw/zinc/05/96/86/1112059686.db2.gz ZLFIVGWTPDVZQC-UHFFFAOYSA-N -1 0 364.854 4.016 20 30 FIEDRM O=C(CCc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000042232934 1112839146 /nfs/dbraw/zinc/83/91/46/1112839146.db2.gz IWXZJZNCVSONTM-UHFFFAOYSA-N -1 0 357.406 4.257 20 30 FIEDRM Cc1cc(Br)oc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000483233768 1113468287 /nfs/dbraw/zinc/46/82/87/1113468287.db2.gz LJWJLWRIXUXGKZ-CYBMUJFWSA-N -1 0 355.191 4.389 20 30 FIEDRM C=C1CCC(C(=O)N(Cc2ccoc2C(=O)[O-])[C@H](C)c2ccccn2)CC1 ZINC000911331617 1113970159 /nfs/dbraw/zinc/97/01/59/1113970159.db2.gz VGXAACBUZNVWFR-OAHLLOKOSA-N -1 0 368.433 4.209 20 30 FIEDRM CC(C)c1cc(C([O-])=C(C#N)c2nc3ccccc3o2)nn1C(C)(C)C ZINC000054736690 1114386639 /nfs/dbraw/zinc/38/66/39/1114386639.db2.gz QQWUJJWAFIUMFW-ZDUSSCGKSA-N -1 0 350.422 4.393 20 30 FIEDRM O=C(CSc1ccccc1Cl)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000045100206 1114560732 /nfs/dbraw/zinc/56/07/32/1114560732.db2.gz HPQNNQFZABYHDO-UHFFFAOYSA-N -1 0 373.858 4.058 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Sc3ccccc3)c2)o1 ZINC000588844016 1114657185 /nfs/dbraw/zinc/65/71/85/1114657185.db2.gz WPJGVBUAGKHPPG-UHFFFAOYSA-N -1 0 356.428 4.103 20 30 FIEDRM N#CC(=C([O-])c1cscn1)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000590880717 1114990028 /nfs/dbraw/zinc/99/00/28/1114990028.db2.gz CPYLJUUDWCVAKZ-MRVPVSSYSA-N -1 0 353.350 4.262 20 30 FIEDRM C=CCOc1ccccc1C([O-])=C(C#N)c1nc2cc(F)ccc2s1 ZINC000592973823 1115272765 /nfs/dbraw/zinc/27/27/65/1115272765.db2.gz IPGDVIXNQWCCSZ-AWEZNQCLSA-N -1 0 352.390 4.490 20 30 FIEDRM N#CC(=C([O-])c1cnc(-c2ccccc2)nc1)c1nc2cc(F)ccc2s1 ZINC000592973907 1115272799 /nfs/dbraw/zinc/27/27/99/1115272799.db2.gz KTCLKVMVJNWSOX-HNNXBMFYSA-N -1 0 374.400 4.382 20 30 FIEDRM Cn1cnc2cc(/C=C\C(=O)c3ccc(-c4ccc(C(=O)[O-])o4)cc3)ccc21 ZINC000761200838 1115620620 /nfs/dbraw/zinc/62/06/20/1115620620.db2.gz RHTXDPHMKZHNPE-OQFOIZHKSA-N -1 0 372.380 4.428 20 30 FIEDRM O=C([O-])c1cc(NN=Cc2cc(F)ccc2Br)ccc1Cl ZINC000761252816 1115705620 /nfs/dbraw/zinc/70/56/20/1115705620.db2.gz JTCMIEPJAOBWKI-UHFFFAOYSA-N -1 0 371.593 4.386 20 30 FIEDRM COc1ccc(CCCC(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000061067067 1115767513 /nfs/dbraw/zinc/76/75/13/1115767513.db2.gz JBNOJPBVMXGIAT-UHFFFAOYSA-N -1 0 373.883 4.078 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1nccc2ccccc21 ZINC000172019040 1115905815 /nfs/dbraw/zinc/90/58/15/1115905815.db2.gz GVBSPJLTAADOIR-KRWDZBQOSA-N -1 0 353.381 4.230 20 30 FIEDRM CCc1ccc(-c2ccc(C([O-])=C(C#N)C(=O)NCc3ccccc3)o2)cc1 ZINC000173956537 1116101546 /nfs/dbraw/zinc/10/15/46/1116101546.db2.gz GDAAEYPTJOOPME-LJQANCHMSA-N -1 0 372.424 4.148 20 30 FIEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(-c2ccc(C(C)(C)C)cc2)o1 ZINC000173982752 1116105050 /nfs/dbraw/zinc/10/50/50/1116105050.db2.gz XQDLLTBEENEAFM-INIZCTEOSA-N -1 0 352.434 4.091 20 30 FIEDRM CCO[C@H](C)c1ncc(C([O-])=C(C#N)c2ccc3ccccc3n2)s1 ZINC000608552807 1116115106 /nfs/dbraw/zinc/11/51/06/1116115106.db2.gz PLYFMAMVBMNJPA-TZMCWYRMSA-N -1 0 351.431 4.279 20 30 FIEDRM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000594255645 1116124873 /nfs/dbraw/zinc/12/48/73/1116124873.db2.gz JGXTZJWBZVGAAK-UHFFFAOYSA-N -1 0 362.351 4.333 20 30 FIEDRM CC(C)CCSc1ccc(C([O-])=C(C#N)c2ccncn2)cc1[N+](=O)[O-] ZINC000546860330 1116206533 /nfs/dbraw/zinc/20/65/33/1116206533.db2.gz PIYDFZIKIDSPLP-AWEZNQCLSA-N -1 0 370.434 4.013 20 30 FIEDRM Cc1nc(NC(=O)c2ccc(C#N)c([O-])c2)sc1Cc1cccc(C)c1 ZINC000442715480 1116284959 /nfs/dbraw/zinc/28/49/59/1116284959.db2.gz ABIJUHIBUCGWHN-UHFFFAOYSA-N -1 0 363.442 4.180 20 30 FIEDRM CC[C@H](C)n1nc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1C ZINC000539791500 1116381030 /nfs/dbraw/zinc/38/10/30/1116381030.db2.gz SWFRBRMMUROKHK-WFASDCNBSA-N -1 0 365.462 4.171 20 30 FIEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C/c1ccc(Br)cc1Cl ZINC000463042899 1117944414 /nfs/dbraw/zinc/94/44/14/1117944414.db2.gz IFWHZFAAINLOOD-GORDUTHDSA-N -1 0 363.598 4.238 20 30 FIEDRM N#CC(=C([O-])c1cc(-c2ccc(F)cc2)[nH]n1)c1cc(C(F)(F)F)ccn1 ZINC000464409830 1118546477 /nfs/dbraw/zinc/54/64/77/1118546477.db2.gz HUYQPPPIKUSLKX-CYBMUJFWSA-N -1 0 374.297 4.120 20 30 FIEDRM Cc1nc(C(F)(F)F)ccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464420733 1118551235 /nfs/dbraw/zinc/55/12/35/1118551235.db2.gz QQQXXRIUYHCOOS-NSHDSACASA-N -1 0 373.256 4.313 20 30 FIEDRM N#CC(=C([O-])c1ccc(C(F)(F)F)cn1)c1cc(C(F)(F)F)ccn1 ZINC000464473716 1118574645 /nfs/dbraw/zinc/57/46/45/1118574645.db2.gz HOYGWOPAKNNKAK-SNVBAGLBSA-N -1 0 359.229 4.004 20 30 FIEDRM CC(C)(C#N)c1ccc(NC(=O)c2ccc(Br)cc2[O-])cc1 ZINC000303022000 1118768961 /nfs/dbraw/zinc/76/89/61/1118768961.db2.gz UPCSBEYREOAMDI-UHFFFAOYSA-N -1 0 359.223 4.208 20 30 FIEDRM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c1Cl ZINC000029967161 1118957484 /nfs/dbraw/zinc/95/74/84/1118957484.db2.gz WNRIZWOMGXNREZ-UHFFFAOYSA-N -1 0 369.273 4.477 20 30 FIEDRM N#Cc1ccc([O-])c(NC(=O)c2cc3cc(Br)ccc3o2)c1 ZINC000176392503 1118994392 /nfs/dbraw/zinc/99/43/92/1118994392.db2.gz RDPKAWYFSUKKOO-UHFFFAOYSA-N -1 0 357.163 4.025 20 30 FIEDRM O=C([O-])COc1cccc(C(=O)/C=C\c2csc(Cl)c2Cl)c1 ZINC000761475499 1119059471 /nfs/dbraw/zinc/05/94/71/1119059471.db2.gz FHAKWKYRSVNJSG-PLNGDYQASA-N -1 0 357.214 4.414 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCc1ccc(F)cc1F ZINC000152075767 1119078908 /nfs/dbraw/zinc/07/89/08/1119078908.db2.gz JCTPOUBDPWSCNN-INIZCTEOSA-N -1 0 366.367 4.279 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc(C(C)C)cs2)cnn1-c1ccccc1 ZINC000177771840 1119350465 /nfs/dbraw/zinc/35/04/65/1119350465.db2.gz VQJFKLZANPOKEK-HNNXBMFYSA-N -1 0 350.447 4.251 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc(C(C)C)cs2)cnn1Cc1ccccc1 ZINC000177777765 1119351290 /nfs/dbraw/zinc/35/12/90/1119351290.db2.gz YUJUJALHDNXYHA-INIZCTEOSA-N -1 0 364.474 4.310 20 30 FIEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(O)cc(C(F)(F)F)c1 ZINC000646776370 1119377949 /nfs/dbraw/zinc/37/79/49/1119377949.db2.gz AYKGFAVEFMTWNQ-UHFFFAOYSA-N -1 0 365.351 4.248 20 30 FIEDRM CCc1nc(-c2ccc(C([O-])=C(C#N)c3nc4ccccc4s3)cc2)n[nH]1 ZINC000152969649 1119559033 /nfs/dbraw/zinc/55/90/33/1119559033.db2.gz NHHIOZCAADKADL-CQSZACIVSA-N -1 0 373.441 4.134 20 30 FIEDRM N#CC(=C([O-])c1c[nH]nc1-c1cccc(Cl)c1)c1nc2ccccc2o1 ZINC000184292965 1119601978 /nfs/dbraw/zinc/60/19/78/1119601978.db2.gz CEJUNXTXGTYNPI-CYBMUJFWSA-N -1 0 362.776 4.361 20 30 FIEDRM C=C(C)C[C@@H](C)C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000185989863 1119699354 /nfs/dbraw/zinc/69/93/54/1119699354.db2.gz UXUYRTMDOURGSJ-OAHLLOKOSA-N -1 0 358.463 4.028 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(Oc2ccccc2)o1 ZINC000176524419 1119861460 /nfs/dbraw/zinc/86/14/60/1119861460.db2.gz LLMKTVMUBOLOCP-MRXNPFEDSA-N -1 0 354.406 4.091 20 30 FIEDRM CCC(C)(C)C1CCC(NC(=O)c2cc(C#N)c(SC)[n-]c2=O)CC1 ZINC000031908760 1119865485 /nfs/dbraw/zinc/86/54/85/1119865485.db2.gz QJGZVXQMHXMDRL-UHFFFAOYSA-N -1 0 361.511 4.106 20 30 FIEDRM CC(C)(C)c1[n-]n(CCOc2ccc(Cl)c(F)c2)c(=O)c1CCC#N ZINC000190104865 1119927780 /nfs/dbraw/zinc/92/77/80/1119927780.db2.gz MYKKBISDMDYGDZ-UHFFFAOYSA-N -1 0 365.836 4.214 20 30 FIEDRM Cc1cc(C#N)ccc1Oc1ccc(C(=O)N=c2ccc(C3CC3)n[n-]2)cc1 ZINC000465462344 1120414752 /nfs/dbraw/zinc/41/47/52/1120414752.db2.gz ALPXUUHMNRMHDZ-UHFFFAOYSA-N -1 0 370.412 4.001 20 30 FIEDRM Cc1ccc2nc(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)ccc2c1 ZINC000495298359 1120642374 /nfs/dbraw/zinc/64/23/74/1120642374.db2.gz ADWUAADTZXLLSY-CQSZACIVSA-N -1 0 355.319 4.447 20 30 FIEDRM CCOc1cccc(/C=C\C(=O)c2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000213174496 1120742679 /nfs/dbraw/zinc/74/26/79/1120742679.db2.gz KCROAMCFLFMAEL-JYRVWZFOSA-N -1 0 354.402 4.225 20 30 FIEDRM N#Cc1ccc(Oc2cccc([N-]S(=O)(=O)c3cccs3)c2)cc1 ZINC000609219655 1120896134 /nfs/dbraw/zinc/89/61/34/1120896134.db2.gz IVWJIMVDLAENGG-UHFFFAOYSA-N -1 0 356.428 4.213 20 30 FIEDRM N#Cc1cccc(OCCCCC(=O)Nc2ccc3[n-]c(=S)oc3c2)c1 ZINC000762964282 1121048967 /nfs/dbraw/zinc/04/89/67/1121048967.db2.gz HWYJCRPVADUGNS-UHFFFAOYSA-N -1 0 367.430 4.176 20 30 FIEDRM CO[C@H](C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1Cl ZINC000763098786 1121114796 /nfs/dbraw/zinc/11/47/96/1121114796.db2.gz ZJELDIQFEXGWFP-ODGHKMFZSA-N -1 0 369.204 4.414 20 30 FIEDRM O=C([O-])c1cccc(NN=Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)c1 ZINC000915935484 1121355677 /nfs/dbraw/zinc/35/56/77/1121355677.db2.gz FPLBQQMEPQXYJX-UHFFFAOYSA-N -1 0 374.322 4.035 20 30 FIEDRM COCCOc1cccc(C/N=C/c2cc(Cl)cc(Cl)c2[O-])c1 ZINC000915981859 1121361989 /nfs/dbraw/zinc/36/19/89/1121361989.db2.gz XQWUJTUWCXSYQE-RGVLZGJSSA-N -1 0 354.233 4.343 20 30 FIEDRM COc1ccc([C@H](C)/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1OC ZINC000915982736 1121363420 /nfs/dbraw/zinc/36/34/20/1121363420.db2.gz AFMNHLNDVBMJTP-XPAGJJBOSA-N -1 0 364.785 4.151 20 30 FIEDRM O=C([O-])c1ccc(C(=O)/C=C/c2ccc(OCc3ccncc3)cc2)s1 ZINC000915987890 1121367974 /nfs/dbraw/zinc/36/79/74/1121367974.db2.gz MBUUJLXCIRPNIQ-ZZXKWVIFSA-N -1 0 365.410 4.316 20 30 FIEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2ccc(Br)cc2F)cc1 ZINC000915990821 1121368722 /nfs/dbraw/zinc/36/87/22/1121368722.db2.gz QZYDPBTYXQLBDB-SOFGYWHQSA-N -1 0 363.182 4.111 20 30 FIEDRM CCOc1cccc2cc(C(=O)/C=C\c3ccc(OCC(=O)[O-])cc3)oc21 ZINC000916130569 1121420760 /nfs/dbraw/zinc/42/07/60/1121420760.db2.gz XARIRLIYBBYYNK-FLIBITNWSA-N -1 0 366.369 4.191 20 30 FIEDRM O=C([O-])COc1ccc(/C=C\C(=O)c2ccccc2C(F)(F)F)cc1 ZINC000916136738 1121424340 /nfs/dbraw/zinc/42/43/40/1121424340.db2.gz YQHOIGMOUAPQFY-YFHOEESVSA-N -1 0 350.292 4.065 20 30 FIEDRM O=C([O-])c1cc(NN=Cc2cc(Br)cs2)ccc1Cl ZINC000916259279 1121453405 /nfs/dbraw/zinc/45/34/05/1121453405.db2.gz AZWYLIFPLDFVJY-UHFFFAOYSA-N -1 0 359.632 4.308 20 30 FIEDRM C=CCOc1ccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc1OC ZINC000916259942 1121455132 /nfs/dbraw/zinc/45/51/32/1121455132.db2.gz KWVABGFBWNKAAF-UHFFFAOYSA-N -1 0 360.797 4.058 20 30 FIEDRM N#CC(=C([O-])c1csc(-c2ccoc2)n1)c1ccc(C(F)(F)F)cn1 ZINC000108624311 1121564168 /nfs/dbraw/zinc/56/41/68/1121564168.db2.gz SQINFNDPOXVCSF-NSHDSACASA-N -1 0 363.320 4.307 20 30 FIEDRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)c1 ZINC000124072634 1121659408 /nfs/dbraw/zinc/65/94/08/1121659408.db2.gz SHHXOYQSPRRMNW-UHFFFAOYSA-N -1 0 364.854 4.132 20 30 FIEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000916748114 1121845790 /nfs/dbraw/zinc/84/57/90/1121845790.db2.gz BNKKCWVRROLQPI-UHFFFAOYSA-N -1 0 352.283 4.159 20 30 FIEDRM N#CC(=C([O-])C=Cc1cnc2ccccc2n1)c1nc2ccccc2s1 ZINC000916846259 1121887157 /nfs/dbraw/zinc/88/71/57/1121887157.db2.gz NTKMBXNVGITOQZ-CMUBDUJZSA-N -1 0 356.410 4.129 20 30 FIEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(Oc2ccccc2)cc1 ZINC000916875163 1121905774 /nfs/dbraw/zinc/90/57/74/1121905774.db2.gz UHRSOKOXQFUYDP-IBGZPJMESA-N -1 0 350.418 4.108 20 30 FIEDRM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000066814045 1122099339 /nfs/dbraw/zinc/09/93/39/1122099339.db2.gz YZNDXGLWZRECAG-NSHDSACASA-N -1 0 368.430 4.160 20 30 FIEDRM COc1cc(/C=C/C(=O)c2ccc(C(C)C)cc2)ccc1OCC(=O)[O-] ZINC000007714263 1122114364 /nfs/dbraw/zinc/11/43/64/1122114364.db2.gz VFUKDNZUEJANDJ-ONNFQVAWSA-N -1 0 354.402 4.178 20 30 FIEDRM CCCOc1cccc(/C=C/C(=O)c2ccc(OC)c(CC(=O)[O-])c2)c1 ZINC000917143831 1122202769 /nfs/dbraw/zinc/20/27/69/1122202769.db2.gz RDKSOWDFCXCFMP-VQHVLOKHSA-N -1 0 354.402 4.007 20 30 FIEDRM CCCOc1cccc(/C=C\C(=O)c2ccc(OC)c(CC(=O)[O-])c2)c1 ZINC000917143830 1122202964 /nfs/dbraw/zinc/20/29/64/1122202964.db2.gz RDKSOWDFCXCFMP-CLFYSBASSA-N -1 0 354.402 4.007 20 30 FIEDRM Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=NNc1cccc(C(=O)[O-])c1 ZINC000917530914 1122350994 /nfs/dbraw/zinc/35/09/94/1122350994.db2.gz IUQLKSDNEQLIPV-UHFFFAOYSA-N -1 0 368.824 4.287 20 30 FIEDRM CCCCCCCCCN(C)C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000918397650 1122631289 /nfs/dbraw/zinc/63/12/89/1122631289.db2.gz JINADUXDWGLMLI-UHFFFAOYSA-N -1 0 361.511 4.447 20 30 FIEDRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ncccc2OCCCC#N)cc1 ZINC000069677491 1122650567 /nfs/dbraw/zinc/65/05/67/1122650567.db2.gz VVLGNSNRIZOACI-OAHLLOKOSA-N -1 0 373.478 4.078 20 30 FIEDRM O=C([O-])Cc1ccc(C(=O)/C=C\c2csc(-c3ccsc3)n2)cc1 ZINC000920067751 1123328209 /nfs/dbraw/zinc/32/82/09/1123328209.db2.gz CUDLCXBABZTPHV-WAYWQWQTSA-N -1 0 355.440 4.395 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cc(-c2ccccc2)[nH]n1 ZINC000920101917 1123349834 /nfs/dbraw/zinc/34/98/34/1123349834.db2.gz MZOHHRLNWUVATL-MRXNPFEDSA-N -1 0 368.396 4.072 20 30 FIEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/[C@H]2CCc3cc(Br)ccc32)c1 ZINC000920174001 1123403314 /nfs/dbraw/zinc/40/33/14/1123403314.db2.gz IOXLRHLEDKTSFS-UPAIAECRSA-N -1 0 361.195 4.169 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)ccc1[N+](=O)[O-] ZINC000609321533 1123536635 /nfs/dbraw/zinc/53/66/35/1123536635.db2.gz DXWQCHIQUAVTHD-LBPRGKRZSA-N -1 0 355.350 4.142 20 30 FIEDRM [O-]c1c(Br)cc(Br)cc1C=Nc1ccc(O)cc1 ZINC000920945004 1123540474 /nfs/dbraw/zinc/54/04/74/1123540474.db2.gz LXVYHLJBTVCHQI-UHFFFAOYSA-N -1 0 371.028 4.373 20 30 FIEDRM N#CC1(c2ccc(Nc3ccc4ccccc4c3S(=O)(=O)[O-])cc2)CC1 ZINC001212257983 1123703380 /nfs/dbraw/zinc/70/33/80/1123703380.db2.gz MZBFLXKOIXNNBJ-UHFFFAOYSA-N -1 0 364.426 4.385 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2c3c(sc2-n2cccc2)CCC3)n1 ZINC000136093645 1123837545 /nfs/dbraw/zinc/83/75/45/1123837545.db2.gz XRJZFWKIMBWSOJ-CYBMUJFWSA-N -1 0 353.472 4.283 20 30 FIEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(Cl)c1OC(C)C ZINC000609819026 1123849557 /nfs/dbraw/zinc/84/95/57/1123849557.db2.gz MAPHVAVKGOOAHF-UHFFFAOYSA-N -1 0 364.854 4.108 20 30 FIEDRM COc1ccccc1N=c1[n-]nc(S[C@H](C)c2ccc(C#N)cc2)s1 ZINC000609813623 1123855238 /nfs/dbraw/zinc/85/52/38/1123855238.db2.gz SNVPREKUHAVNEJ-GFCCVEGCSA-N -1 0 368.487 4.437 20 30 FIEDRM CC(C)NC(=O)Nc1cccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1 ZINC000080459647 1123966819 /nfs/dbraw/zinc/96/68/19/1123966819.db2.gz MYXCXFFWWZMTET-HNNXBMFYSA-N -1 0 370.478 4.286 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc3c(s2)CCCCC3)n1 ZINC000067896734 1123982850 /nfs/dbraw/zinc/98/28/50/1123982850.db2.gz QPVIQRQNZIZQHS-GFCCVEGCSA-N -1 0 374.487 4.140 20 30 FIEDRM CCc1ncc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)s1 ZINC000068412993 1124230946 /nfs/dbraw/zinc/23/09/46/1124230946.db2.gz RJLYEXOPOTZJAU-ZDUSSCGKSA-N -1 0 364.455 4.191 20 30 FIEDRM C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000108251719 1124270357 /nfs/dbraw/zinc/27/03/57/1124270357.db2.gz CJDZBVYQDVEFGR-NSHDSACASA-N -1 0 368.430 4.017 20 30 FIEDRM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000108985272 1124426846 /nfs/dbraw/zinc/42/68/46/1124426846.db2.gz ZNFYUOKEUWUQHZ-LLVKDONJSA-N -1 0 368.430 4.160 20 30 FIEDRM CC(C)(C)Oc1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nc1 ZINC000499453292 1124711593 /nfs/dbraw/zinc/71/15/93/1124711593.db2.gz GRNZJMAHDCJWCB-ZDUSSCGKSA-N -1 0 363.339 4.163 20 30 FIEDRM C=CCOc1cccc([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c1 ZINC000499508243 1124950300 /nfs/dbraw/zinc/95/03/00/1124950300.db2.gz LMFWMZSRPTVQOI-UHFFFAOYSA-N -1 0 372.471 4.176 20 30 FIEDRM Cc1ccc(CCC(=O)[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000069571437 1124991258 /nfs/dbraw/zinc/99/12/58/1124991258.db2.gz KIFHWWGSPFAJFR-UHFFFAOYSA-N -1 0 371.380 4.292 20 30 FIEDRM O=C(Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000069641519 1125079155 /nfs/dbraw/zinc/07/91/55/1125079155.db2.gz LTCZNDKPBYYXAF-UHFFFAOYSA-N -1 0 368.238 4.082 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)nn1-c1ccccc1 ZINC000069833564 1125172460 /nfs/dbraw/zinc/17/24/60/1125172460.db2.gz LCLOMIZKMDFAED-HNNXBMFYSA-N -1 0 358.426 4.281 20 30 FIEDRM CCCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000070029155 1125244032 /nfs/dbraw/zinc/24/40/32/1125244032.db2.gz GDKRKDGLHDGCNV-CQSZACIVSA-N -1 0 368.499 4.287 20 30 FIEDRM Cc1[n-]n(-c2ccc(Br)cc2C(F)(F)F)c(=O)c1CCC#N ZINC000601939805 567881345 /nfs/dbraw/zinc/88/13/45/567881345.db2.gz NHOJFAGWRHNJQF-JTQLQIEISA-N -1 0 374.160 4.110 20 30 FIEDRM C[C@](CC(=O)[O-])(C(=O)N[C@H](CCCC#N)c1ccccc1)c1ccsc1 ZINC000601995138 567898905 /nfs/dbraw/zinc/89/89/05/567898905.db2.gz SKFPHJKCPHIKFW-YLJYHZDGSA-N -1 0 370.474 4.032 20 30 FIEDRM N#CC(=C([O-])c1ccc([N+](=O)[O-])[nH]1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000603836633 568159477 /nfs/dbraw/zinc/15/94/77/568159477.db2.gz QCISFSXDJSTXII-NSHDSACASA-N -1 0 372.793 4.190 20 30 FIEDRM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1 ZINC000481945729 568195222 /nfs/dbraw/zinc/19/52/22/568195222.db2.gz SWCVIEOKDGVPQH-UHFFFAOYSA-N -1 0 364.785 4.206 20 30 FIEDRM Cc1cccc(N=c2[n-]nc(S[C@H](C#N)Cc3ccccc3)s2)c1 ZINC000604016187 568199144 /nfs/dbraw/zinc/19/91/44/568199144.db2.gz JINLPNUFIIBSML-INIZCTEOSA-N -1 0 352.488 4.239 20 30 FIEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1occc1-c1ccc(F)cc1 ZINC000152008473 568305829 /nfs/dbraw/zinc/30/58/29/568305829.db2.gz SXCQLUMRVBGXHW-MRXNPFEDSA-N -1 0 359.360 4.462 20 30 FIEDRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)cc1 ZINC000183130411 1125755074 /nfs/dbraw/zinc/75/50/74/1125755074.db2.gz SIGPKYUCHMBVOK-HUUCEWRRSA-N -1 0 358.463 4.292 20 30 FIEDRM N#CC(=C([O-])C=CSCc1ccco1)c1nc(-c2ccncc2)cs1 ZINC000254966466 1080105196 /nfs/dbraw/zinc/10/51/96/1080105196.db2.gz DMWMCTOGOQLAHU-ZHMISCPASA-N -1 0 367.455 4.421 20 30 FIEDRM O=S(=O)([N-]c1nccs1)c1ccc(N=NC2CCCCCC2)cc1 ZINC000748081960 1080150529 /nfs/dbraw/zinc/15/05/29/1080150529.db2.gz VSDNNLQQFVTVPG-UHFFFAOYSA-N -1 0 364.496 4.066 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1ccccc1 ZINC000047371876 1080297034 /nfs/dbraw/zinc/29/70/34/1080297034.db2.gz SGNKHZSBNJXZTI-HNNXBMFYSA-N -1 0 370.334 4.085 20 30 FIEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1cccc(-n2cccc2)c1 ZINC000121088846 1081411791 /nfs/dbraw/zinc/41/17/91/1081411791.db2.gz PRCNHTYSGXPGCZ-LJQANCHMSA-N -1 0 367.408 4.472 20 30 FIEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1cc(Cl)c(Cl)n1C ZINC000121102594 1081454651 /nfs/dbraw/zinc/45/46/51/1081454651.db2.gz XIPGKGGRHACZLL-LLVKDONJSA-N -1 0 374.227 4.327 20 30 FIEDRM O=C1/C(=C/c2cccc([N+](=O)[O-])c2)CC/C1=C/c1ccc([N+](=O)[O-])c([O-])c1 ZINC000748145901 1081569172 /nfs/dbraw/zinc/56/91/72/1081569172.db2.gz CXOFGTYLEBYFCH-YVKOIJOCSA-N -1 0 366.329 4.039 20 30 FIEDRM CSc1ccc2c(c1)CC/C(=C/c1ccc(OCC(=O)[O-])cc1)C2=O ZINC000748148687 1081607013 /nfs/dbraw/zinc/60/70/13/1081607013.db2.gz WCQQJKYVGDHDIF-GDNBJRDFSA-N -1 0 354.427 4.084 20 30 FIEDRM O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000050204983 1081921663 /nfs/dbraw/zinc/92/16/63/1081921663.db2.gz BTSJUAMTVDNQBX-JKSUJKDBSA-N -1 0 367.829 4.069 20 30 FIEDRM N#Cc1cc(-c2cc(F)ccc2OC[C@H]2CCCCO2)ccc1C(=O)[O-] ZINC000580784815 1082137859 /nfs/dbraw/zinc/13/78/59/1082137859.db2.gz CLCRUGIFSLSHTC-MRXNPFEDSA-N -1 0 355.365 4.010 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3conc3C3CC3)n2)cc1 ZINC000580805268 1082147039 /nfs/dbraw/zinc/14/70/39/1082147039.db2.gz PTMPZKSWPSHZAZ-AWEZNQCLSA-N -1 0 365.414 4.174 20 30 FIEDRM Cc1onc(-c2cccc(Cl)c2Cl)c1C([O-])=C(C#N)c1ccncn1 ZINC000430518953 1082154479 /nfs/dbraw/zinc/15/44/79/1082154479.db2.gz HKADWQSWUFICIR-LLVKDONJSA-N -1 0 373.199 4.237 20 30 FIEDRM CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000782217996 1082308963 /nfs/dbraw/zinc/30/89/63/1082308963.db2.gz DIVRNMRUCOEFCX-UHFFFAOYSA-N -1 0 368.176 4.436 20 30 FIEDRM O=C(/C=C/c1cc(F)c([O-])c(F)c1)c1cc(Br)ccc1F ZINC000177908988 1082310964 /nfs/dbraw/zinc/31/09/64/1082310964.db2.gz GOSCCWFPWWMGNA-DAFODLJHSA-N -1 0 357.125 4.468 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cnn(-c3ccccc3)c2)s1 ZINC000430594900 1082544138 /nfs/dbraw/zinc/54/41/38/1082544138.db2.gz SLBADWAQKDWPFQ-OAHLLOKOSA-N -1 0 350.447 4.116 20 30 FIEDRM Cn1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c(-c2ccccc2)n1 ZINC000430593298 1082544805 /nfs/dbraw/zinc/54/48/05/1082544805.db2.gz ORRVHJIIOYBETO-CQSZACIVSA-N -1 0 364.474 4.331 20 30 FIEDRM CCCOc1nc(C)ccc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430599040 1082560853 /nfs/dbraw/zinc/56/08/53/1082560853.db2.gz PNVOHGYHCVVIHR-AWEZNQCLSA-N -1 0 357.479 4.423 20 30 FIEDRM CC(C)n1ncc2cc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)cnc21 ZINC000430605855 1082597020 /nfs/dbraw/zinc/59/70/20/1082597020.db2.gz URFUZFQQIZKOCN-CQSZACIVSA-N -1 0 367.478 4.256 20 30 FIEDRM CO[C@H](C)c1nc(C)c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)s1 ZINC000430611833 1082659439 /nfs/dbraw/zinc/65/94/39/1082659439.db2.gz PTDWTHHPWPGVFC-GHMZBOCLSA-N -1 0 363.508 4.403 20 30 FIEDRM O=C(/C=C\c1cnc(-c2cccs2)s1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000255331069 1082726510 /nfs/dbraw/zinc/72/65/10/1082726510.db2.gz ZJLKNZXXMJEXKE-XQRVVYSFSA-N -1 0 358.400 4.382 20 30 FIEDRM CCc1ncncc1C([O-])=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000051157147 1082797411 /nfs/dbraw/zinc/79/74/11/1082797411.db2.gz DNJNPYVPCWFCRV-CYBMUJFWSA-N -1 0 368.849 4.306 20 30 FIEDRM COc1ccc(CCCC(=O)[N-]S(=O)(=O)[C@H](C)c2ccccc2)cc1 ZINC000077880203 1082797982 /nfs/dbraw/zinc/79/79/82/1082797982.db2.gz XWZYBACYGHWONA-OAHLLOKOSA-N -1 0 361.463 4.065 20 30 FIEDRM CCCCSc1ccc(Cl)cc1C(=O)N=c1[nH][n-]c(C2CC2)c1C#N ZINC000561621997 1082977197 /nfs/dbraw/zinc/97/71/97/1082977197.db2.gz ACBSTISMDCVFLK-UHFFFAOYSA-N -1 0 374.897 4.379 20 30 FIEDRM COc1cc(/C=C2\C[C@@H](C)c3ccccc3C2=O)ccc1OCCC(=O)[O-] ZINC000588460335 1083327697 /nfs/dbraw/zinc/32/76/97/1083327697.db2.gz MDBUPAUABQSLDA-RGHBXIHOSA-N -1 0 366.413 4.322 20 30 FIEDRM Cc1cc(Br)oc1C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000647377052 1083362607 /nfs/dbraw/zinc/36/26/07/1083362607.db2.gz MFESYRJPZDKGBD-SECBINFHSA-N -1 0 351.225 4.175 20 30 FIEDRM COc1ccc2cc(C([O-])=C(C#N)c3nc(C4CC4)cs3)c(C)nc2c1 ZINC000647378669 1083369513 /nfs/dbraw/zinc/36/95/13/1083369513.db2.gz PCJJBKHNOSHQQH-MRXNPFEDSA-N -1 0 363.442 4.376 20 30 FIEDRM CC(C)NC(=O)Nc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647377507 1083374030 /nfs/dbraw/zinc/37/40/30/1083374030.db2.gz QLDCMBPJVNMXJV-HNNXBMFYSA-N -1 0 368.462 4.040 20 30 FIEDRM Cc1nn(-c2cccc(F)c2)cc1C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000647380051 1083377145 /nfs/dbraw/zinc/37/71/45/1083377145.db2.gz FUOFFEAYANICKI-HNNXBMFYSA-N -1 0 366.421 4.144 20 30 FIEDRM CC(C)(C)c1csc(C2CCN(C(=O)c3ccc(C#N)c(O)c3)CC2)n1 ZINC000188387466 1083537462 /nfs/dbraw/zinc/53/74/62/1083537462.db2.gz HGZIENFVMWKTED-UHFFFAOYSA-N -1 0 369.490 4.038 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(-c3ccco3)s2)n1 ZINC000610828558 1083745694 /nfs/dbraw/zinc/74/56/94/1083745694.db2.gz LHCWDLHBNOSUAS-JTQLQIEISA-N -1 0 372.427 4.131 20 30 FIEDRM Cc1ccnc(Oc2cc(NC(=O)c3ccc(C#N)c([O-])c3)ccc2C)c1 ZINC000188569629 1083844562 /nfs/dbraw/zinc/84/45/62/1083844562.db2.gz FKIBKRYRICXGRS-UHFFFAOYSA-N -1 0 359.385 4.320 20 30 FIEDRM Cc1c2cc(F)ccc2sc1C(=O)[N-]S(=O)(=O)Cc1ccccc1 ZINC000066003888 1083945040 /nfs/dbraw/zinc/94/50/40/1083945040.db2.gz AAHPDFVMTNMPRL-UHFFFAOYSA-N -1 0 363.435 4.183 20 30 FIEDRM Cc1cccc(C2(C(=O)[N-]S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c1 ZINC000066004146 1083946058 /nfs/dbraw/zinc/94/60/58/1083946058.db2.gz GPWSYQBHVGXJLS-UHFFFAOYSA-N -1 0 369.486 4.251 20 30 FIEDRM CC(C)(CC(=O)[O-])CC(=O)Nc1sc2c(c1C#N)-c1ccccc1OC2 ZINC000414072466 1084441970 /nfs/dbraw/zinc/44/19/70/1084441970.db2.gz DVMQFRVBOHPYPL-UHFFFAOYSA-N -1 0 370.430 4.009 20 30 FIEDRM CC(C)(C)c1cc(C#N)c(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)s1 ZINC000414091560 1084513541 /nfs/dbraw/zinc/51/35/41/1084513541.db2.gz LQQYWVLGZFQUHC-HXUWFJFHSA-N -1 0 370.474 4.288 20 30 FIEDRM CC(C)Cn1ncc(C([O-])=C(C#N)c2nccc3ccccc32)c1C1CC1 ZINC000582156931 1084723802 /nfs/dbraw/zinc/72/38/02/1084723802.db2.gz DXFSYHDZHHYGQD-SFHVURJKSA-N -1 0 358.445 4.455 20 30 FIEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000186261404 1085056237 /nfs/dbraw/zinc/05/62/37/1085056237.db2.gz KYSRTEFAPFXTOY-SECBINFHSA-N -1 0 366.364 4.456 20 30 FIEDRM O=C([O-])c1cccc(/C=C\C(=O)c2c(Cl)nc3sccn32)c1Cl ZINC000588559402 1085940476 /nfs/dbraw/zinc/94/04/76/1085940476.db2.gz KPIXQHCCPVCMGD-PLNGDYQASA-N -1 0 367.213 4.297 20 30 FIEDRM Cn1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)c(-c2ccccc2)n1 ZINC000091437989 1085985296 /nfs/dbraw/zinc/98/52/96/1085985296.db2.gz TVJAYTZDBJLPME-KRWDZBQOSA-N -1 0 352.397 4.125 20 30 FIEDRM C[C@@H](Oc1cccc(C(=O)/C=C\c2cccc(-c3cccnc3)c2)c1)C(=O)[O-] ZINC000255562156 1086022756 /nfs/dbraw/zinc/02/27/56/1086022756.db2.gz PZZVLYUDKVEKDW-BLIJAFNYSA-N -1 0 373.408 4.497 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cnccc2C(F)(F)F)s1 ZINC000566453900 1086225509 /nfs/dbraw/zinc/22/55/09/1086225509.db2.gz YQCDBNSUACIXGS-VIFPVBQESA-N -1 0 353.369 4.344 20 30 FIEDRM COc1cc(/C=C\C(=O)c2ccccc2C(F)(F)F)cc([N+](=O)[O-])c1[O-] ZINC000211704398 1086324114 /nfs/dbraw/zinc/32/41/14/1086324114.db2.gz FLUMUGUXZQLCCG-SREVYHEPSA-N -1 0 367.279 4.224 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cnc(-c3ccccc3)nc2)s1 ZINC000583670507 1086908886 /nfs/dbraw/zinc/90/88/86/1086908886.db2.gz PBAXIGLNZOJFSL-HNNXBMFYSA-N -1 0 362.458 4.388 20 30 FIEDRM O=C(C=Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)c1sccc1[O-] ZINC000588599066 1087358204 /nfs/dbraw/zinc/35/82/04/1087358204.db2.gz OBKIUNHDVWWZTF-PLNGDYQASA-N -1 0 358.400 4.382 20 30 FIEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000511272346 1087538505 /nfs/dbraw/zinc/53/85/05/1087538505.db2.gz PBULYKBBRJULJV-UHFFFAOYSA-N -1 0 358.463 4.270 20 30 FIEDRM COc1cc(OC)c(C(=O)/C=C\c2cc(F)c([O-])c(F)c2)cc1Cl ZINC000255909019 1087907091 /nfs/dbraw/zinc/90/70/91/1087907091.db2.gz KWDMSKOEEOJHNE-ARJAWSKDSA-N -1 0 354.736 4.237 20 30 FIEDRM CCCCCc1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)n[nH]1 ZINC000659115461 1088124410 /nfs/dbraw/zinc/12/44/10/1088124410.db2.gz YTSRGIFMIUWEBE-ZDUSSCGKSA-N -1 0 350.344 4.046 20 30 FIEDRM C=CCC[C@@H](NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000434931282 1089147895 /nfs/dbraw/zinc/14/78/95/1089147895.db2.gz NAPUKXAANXGYFB-KNQAVFIVSA-N -1 0 351.446 4.243 20 30 FIEDRM C[C@@H](Oc1cccc(/C=C\C(=O)c2ccccc2C(F)(F)F)c1)C(=O)[O-] ZINC000208113027 1089417798 /nfs/dbraw/zinc/41/77/98/1089417798.db2.gz ZENCAUCDCLYHOV-ZWLSGLHFSA-N -1 0 364.319 4.453 20 30 FIEDRM CC(=Cc1cccc(OCc2ccccc2)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435334439 1089538126 /nfs/dbraw/zinc/53/81/26/1089538126.db2.gz BEXGQJICRGVSMP-PTNGSMBKSA-N -1 0 357.413 4.090 20 30 FIEDRM CC(=O)c1ncc(C(=O)Nc2sc3c(c2C#N)[C@H](C)[C@H](C)CC3)s1 ZINC000415742121 1089885675 /nfs/dbraw/zinc/88/56/75/1089885675.db2.gz ZYGAJEQZFDHNFE-RKDXNWHRSA-N -1 0 359.476 4.217 20 30 FIEDRM Cc1nn(C)c(C)c1C([O-])=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000051156296 1089973145 /nfs/dbraw/zinc/97/31/45/1089973145.db2.gz YMBQXHFSAFYYQM-CQSZACIVSA-N -1 0 370.865 4.304 20 30 FIEDRM CN(C)c1cc(C([O-])=C(C#N)c2nc3ccccc3s2)c2ccccc2n1 ZINC000122869543 1090142340 /nfs/dbraw/zinc/14/23/40/1090142340.db2.gz XSKXDEDTIMTKEI-OAHLLOKOSA-N -1 0 372.453 4.401 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)nn1[C@H](C)C1CC1 ZINC000584757205 1090839492 /nfs/dbraw/zinc/83/94/92/1090839492.db2.gz WTPKBMKKSSRUNW-OCCSQVGLSA-N -1 0 356.495 4.407 20 30 FIEDRM N#CC(=C([O-])c1cncs1)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000644786714 1091006142 /nfs/dbraw/zinc/00/61/42/1091006142.db2.gz PLUDMOXYFLOQDH-MRVPVSSYSA-N -1 0 353.350 4.262 20 30 FIEDRM C[C@H](C(=O)[N-][C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)C(F)(F)F ZINC000511743876 1091602274 /nfs/dbraw/zinc/60/22/74/1091602274.db2.gz YFFVZXRMESUUCE-HZGVNTEJSA-N -1 0 365.220 4.206 20 30 FIEDRM C=CCC[C@H](N=c1[n-]nc(COC)s1)c1ccc(C(F)(F)F)cc1 ZINC000441966257 1092365168 /nfs/dbraw/zinc/36/51/68/1092365168.db2.gz MXVVHCFTSCGYJP-ZDUSSCGKSA-N -1 0 357.401 4.245 20 30 FIEDRM C=CCC(F)(F)C(=O)[N-][C@@H](c1c[nH]c2cccc(F)c21)C(F)(F)F ZINC000843702545 1092707962 /nfs/dbraw/zinc/70/79/62/1092707962.db2.gz MPIBUJDVHBCGPG-LBPRGKRZSA-N -1 0 350.262 4.238 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2ccc(SCc3ccccc3)cn2)cc1[O-] ZINC000443057272 1092929916 /nfs/dbraw/zinc/92/99/16/1092929916.db2.gz JNDUWMLRWDUVJE-UHFFFAOYSA-N -1 0 361.426 4.203 20 30 FIEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C/c1ccc(OC(F)F)c(Cl)c1 ZINC000521837165 1092947911 /nfs/dbraw/zinc/94/79/11/1092947911.db2.gz NTCJYBTYUZMVPW-DAFODLJHSA-N -1 0 350.708 4.077 20 30 FIEDRM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC000443418103 1093122661 /nfs/dbraw/zinc/12/26/61/1093122661.db2.gz MVGOTYDQWSMMFH-UHFFFAOYSA-N -1 0 353.390 4.207 20 30 FIEDRM N#CC(=C([O-])c1cc(-c2ccccc2)[nH]n1)c1nc(-c2ccncc2)cs1 ZINC000512958987 1093606847 /nfs/dbraw/zinc/60/68/47/1093606847.db2.gz RHYDJDZCRBAWLI-HNNXBMFYSA-N -1 0 371.425 4.085 20 30 FIEDRM O=C(CCc1ccc(Cl)cc1Cl)[N-]S(=O)(=O)C1CCCC1 ZINC000086054727 1093705678 /nfs/dbraw/zinc/70/56/78/1093705678.db2.gz JYJFZEUCSDOJDJ-UHFFFAOYSA-N -1 0 350.267 4.155 20 30 FIEDRM Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000513426661 1094117486 /nfs/dbraw/zinc/11/74/86/1094117486.db2.gz KNXLHMCBIQGNDM-UHFFFAOYSA-N -1 0 369.471 4.155 20 30 FIEDRM CCc1nc(C([O-])=C(C#N)c2nc(-c3ccc(C)cc3)cs2)c(C)o1 ZINC000513618960 1094239860 /nfs/dbraw/zinc/23/98/60/1094239860.db2.gz HRVJDPIYHOUWLU-AWEZNQCLSA-N -1 0 351.431 4.467 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2-c2nc(C(C)(C)C)no2)n1 ZINC000182558466 1094788286 /nfs/dbraw/zinc/78/82/86/1094788286.db2.gz TULPRLOHWFFJSQ-AWEZNQCLSA-N -1 0 366.446 4.289 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cccc1[N+](=O)[O-] ZINC000041558595 1094992138 /nfs/dbraw/zinc/99/21/38/1094992138.db2.gz DIGCHRNOBDRVCL-LBPRGKRZSA-N -1 0 370.315 4.138 20 30 FIEDRM O=C(Nc1nnc(C(F)(F)F)s1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000029283618 1095300293 /nfs/dbraw/zinc/30/02/93/1095300293.db2.gz ZITJLNJLMZZINH-UHFFFAOYSA-N -1 0 374.325 4.316 20 30 FIEDRM CC(C)(CC#N)C/N=C/c1cc(Br)cc(Br)c1[O-] ZINC000840709459 1095541221 /nfs/dbraw/zinc/54/12/21/1095541221.db2.gz DGFCEDVIMAMFHH-REZTVBANSA-N -1 0 374.076 4.276 20 30 FIEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](C)c2cc3ccccc3s2)cc1C#N ZINC000502978211 1095997709 /nfs/dbraw/zinc/99/77/09/1095997709.db2.gz AMGKOOVWNQSMLG-JTQLQIEISA-N -1 0 369.471 4.086 20 30 FIEDRM CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000504044295 1096642370 /nfs/dbraw/zinc/64/23/70/1096642370.db2.gz UNDUATJUMPHUNI-UHFFFAOYSA-N -1 0 371.245 4.065 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)cc1[O-] ZINC000504264233 1096731828 /nfs/dbraw/zinc/73/18/28/1096731828.db2.gz HGRJDKRKSFFXQZ-UHFFFAOYSA-N -1 0 370.714 4.111 20 30 FIEDRM C=CCn1c(SCc2cc([O-])ccc2[N+](=O)[O-])nnc1-c1ccccc1 ZINC000436475865 1099051787 /nfs/dbraw/zinc/05/17/87/1099051787.db2.gz XBSPSVKDPYNBEB-UHFFFAOYSA-N -1 0 368.418 4.037 20 30 FIEDRM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436626386 1099153564 /nfs/dbraw/zinc/15/35/64/1099153564.db2.gz IJIOGXMUJRRDBL-UHFFFAOYSA-N -1 0 365.836 4.181 20 30 FIEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436788071 1099319594 /nfs/dbraw/zinc/31/95/94/1099319594.db2.gz AVZXYQQNMLPLSQ-UHFFFAOYSA-N -1 0 360.816 4.355 20 30 FIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cnn(C)c3C(F)F)n2)cc1 ZINC000067619407 1099427005 /nfs/dbraw/zinc/42/70/05/1099427005.db2.gz QAVFAFRYEDRDDH-LBPRGKRZSA-N -1 0 372.400 4.280 20 30 FIEDRM COc1cc(/C=C/C(=O)c2cc(F)cc(F)c2[O-])cc(Cl)c1OC ZINC000757476823 1099817057 /nfs/dbraw/zinc/81/70/57/1099817057.db2.gz TUNABVZHAJYAST-ONEGZZNKSA-N -1 0 354.736 4.237 20 30 FIEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc(-c2ccccc2)ns1 ZINC000437552497 1099982255 /nfs/dbraw/zinc/98/22/55/1099982255.db2.gz ANPRQQIBSPKOMJ-CQSZACIVSA-N -1 0 358.426 4.187 20 30 FIEDRM CC(C)(CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC2)c1ccccc1 ZINC000067785874 1100015306 /nfs/dbraw/zinc/01/53/06/1100015306.db2.gz DLLOIRHCOWODSJ-UHFFFAOYSA-N -1 0 357.475 4.188 20 30 FIEDRM CCCOc1ccc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cc1OCC ZINC000509695789 1100069642 /nfs/dbraw/zinc/06/96/42/1100069642.db2.gz OFNJNOAOZZGWGT-YVMONPNESA-N -1 0 352.390 4.009 20 30 FIEDRM CCCOc1c(Cl)cc(/C=C/c2nc(C(=O)[O-])ccc2C#N)cc1OC ZINC000509698643 1100070193 /nfs/dbraw/zinc/07/01/93/1100070193.db2.gz UPBMTWPQJABNJQ-GQCTYLIASA-N -1 0 372.808 4.273 20 30 FIEDRM N#Cc1ccccc1Oc1ccc([N-]S(=O)(=O)c2cccs2)cc1F ZINC000438732666 1100880433 /nfs/dbraw/zinc/88/04/33/1100880433.db2.gz VOBROXVONOAFPE-UHFFFAOYSA-N -1 0 374.418 4.352 20 30 FIEDRM Cc1ncccc1C([O-])=C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000426182867 1100953262 /nfs/dbraw/zinc/95/32/62/1100953262.db2.gz KXKNROOMCNQYHZ-GFCCVEGCSA-N -1 0 355.369 4.282 20 30 FIEDRM CCc1ccc([C@@H](NC(=O)c2cc(C#N)c(SC)[n-]c2=O)C(C)C)cc1 ZINC000439447676 1101452019 /nfs/dbraw/zinc/45/20/19/1101452019.db2.gz GBNDAOVOHACEHX-KRWDZBQOSA-N -1 0 369.490 4.070 20 30 FIEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3cccc(C#N)c3)cc2)c(C)o1 ZINC000537349877 1101683424 /nfs/dbraw/zinc/68/34/24/1101683424.db2.gz SUTPNZXACDHUBZ-UHFFFAOYSA-N -1 0 368.414 4.361 20 30 FIEDRM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1c(F)c(F)cc(F)c1F ZINC000430989030 1101828381 /nfs/dbraw/zinc/82/83/81/1101828381.db2.gz RERHSPMGMVXJAD-UHFFFAOYSA-N -1 0 373.249 4.063 20 30 FIEDRM Cc1csc(SCc2ccccc2C([O-])=C(C#N)c2ccncn2)n1 ZINC000760334742 1101918949 /nfs/dbraw/zinc/91/89/49/1101918949.db2.gz QVCHLNPLDKYHAE-OAHLLOKOSA-N -1 0 366.471 4.024 20 30 FIEDRM Cc1cc(C=NN2C(=S)N=NC2SCc2ccccc2)c(C)s1 ZINC000760240715 1101941678 /nfs/dbraw/zinc/94/16/78/1101941678.db2.gz GWHIBCPDKUYXHC-UHFFFAOYSA-N -1 0 360.533 4.420 20 30 FIEDRM C=CCc1cccc(C(C)C)c1NS(=O)(=O)c1ccccc1COC ZINC000473779267 1102742459 /nfs/dbraw/zinc/74/24/59/1102742459.db2.gz YGNAVMYVPOBSLN-UHFFFAOYSA-N -1 0 359.491 4.486 20 30 FIEDRM CC(C)[C@@H](SCc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000067599759 1102992455 /nfs/dbraw/zinc/99/24/55/1102992455.db2.gz NKEOEBXDZQDPRB-QGZVFWFLSA-N -1 0 363.504 4.290 20 30 FIEDRM O=C([N-]S(=O)(=O)c1ccccc1)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000067599749 1102995066 /nfs/dbraw/zinc/99/50/66/1102995066.db2.gz YPOHAZSZICHNAN-UHFFFAOYSA-N -1 0 369.364 4.082 20 30 FIEDRM COCc1ncsc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000551506610 1103292659 /nfs/dbraw/zinc/29/26/59/1103292659.db2.gz KPOACCBGGNPJIZ-VIFPVBQESA-N -1 0 363.851 4.043 20 30 FIEDRM Cc1nc(-c2ccc([N-]S(=O)(=O)c3cccc(C)c3C#N)cc2)cs1 ZINC000441367218 1104309635 /nfs/dbraw/zinc/30/96/35/1104309635.db2.gz QDKHAXYWDZWVTN-UHFFFAOYSA-N -1 0 369.471 4.099 20 30 FIEDRM C[C@H](NC(=O)N=c1nc(C(C)(C)C)[n-]s1)c1nc(C(C)(C)C)cs1 ZINC000330841152 1104679258 /nfs/dbraw/zinc/67/92/58/1104679258.db2.gz YBFCAFJOURBPLL-VIFPVBQESA-N -1 0 367.544 4.099 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2Cl)o1 ZINC000520451131 1104732237 /nfs/dbraw/zinc/73/22/37/1104732237.db2.gz DZSQMTDELOQILP-UHFFFAOYSA-N -1 0 374.805 4.398 20 30 FIEDRM N#CC(=C([O-])c1cccc(F)c1C#N)c1nc2cc(Cl)ccc2s1 ZINC000188706367 1104751019 /nfs/dbraw/zinc/75/10/19/1104751019.db2.gz AOWJMDPABBDHHP-GFCCVEGCSA-N -1 0 355.781 4.451 20 30 FIEDRM CC(C)c1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C)cc1[N+](=O)[O-] ZINC000190639118 1104965671 /nfs/dbraw/zinc/96/56/71/1104965671.db2.gz VNOONHGKOYKVOW-HNNXBMFYSA-N -1 0 362.389 4.095 20 30 FIEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1csc2ccccc21 ZINC000507964652 1105282175 /nfs/dbraw/zinc/28/21/75/1105282175.db2.gz KUOSPIREBWEGRO-UHFFFAOYSA-N -1 0 357.460 4.006 20 30 FIEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(SC(F)(F)F)cc1 ZINC000127324052 1109114503 /nfs/dbraw/zinc/11/45/03/1109114503.db2.gz LAKPIAONHFHVOB-AWEZNQCLSA-N -1 0 370.396 4.070 20 30 FIEDRM Cc1[nH]c(-c2cccc(C(F)(F)F)c2)nc1C([O-])=C(C#N)c1ccccn1 ZINC000538980991 1111372008 /nfs/dbraw/zinc/37/20/08/1111372008.db2.gz UTQMCDSBKOJYSH-CQSZACIVSA-N -1 0 370.334 4.289 20 30 FIEDRM Cc1noc(C)c1C([O-])=C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000041549304 1111639983 /nfs/dbraw/zinc/63/99/83/1111639983.db2.gz SNRPQTPFCOXWSK-JTQLQIEISA-N -1 0 365.336 4.410 20 30 FIEDRM CCc1nc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)co1 ZINC000478544451 1111804933 /nfs/dbraw/zinc/80/49/33/1111804933.db2.gz BLRONURPYUTIAI-SECBINFHSA-N -1 0 359.357 4.129 20 30 FIEDRM CC(C)c1ccc2occ(C([O-])=C(C#N)c3nnc4n3CCCCC4)c2c1 ZINC000554321789 1112295800 /nfs/dbraw/zinc/29/58/00/1112295800.db2.gz RNFFTLLTYXCFPJ-INIZCTEOSA-N -1 0 362.433 4.364 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cc(C)n(-c3ccc(Cl)cc3)n2)n1 ZINC000480912315 1112665744 /nfs/dbraw/zinc/66/57/44/1112665744.db2.gz MHVICPHUVHCETJ-CQSZACIVSA-N -1 0 356.838 4.089 20 30 FIEDRM CCCOc1nc(C)ccc1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000482570178 1113300587 /nfs/dbraw/zinc/30/05/87/1113300587.db2.gz TZLIEPZSEBKFED-CQSZACIVSA-N -1 0 351.431 4.279 20 30 FIEDRM Cc1ccc(O[C@H](C)C(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)cc1 ZINC000058037679 1115076439 /nfs/dbraw/zinc/07/64/39/1115076439.db2.gz SLFDOUOAVAVVPR-OAHLLOKOSA-N -1 0 371.458 4.036 20 30 FIEDRM N#CCn1c(C([O-])=C(C#N)c2nc3ccccc3s2)cc2ccccc21 ZINC000591862596 1115165961 /nfs/dbraw/zinc/16/59/61/1115165961.db2.gz XRDMOQGCTGEPAM-AWEZNQCLSA-N -1 0 356.410 4.265 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H](C)OC1CCCCCC1 ZINC000761001229 1115267709 /nfs/dbraw/zinc/26/77/09/1115267709.db2.gz JGAKDMLMUWRAOV-MAUKXSAKSA-N -1 0 366.461 4.496 20 30 FIEDRM CCC(=O)Nc1cccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)c1 ZINC000592973387 1115272117 /nfs/dbraw/zinc/27/21/17/1115272117.db2.gz FHJDADRAMISDCV-AWEZNQCLSA-N -1 0 367.405 4.274 20 30 FIEDRM Cc1nn(C(C)(C)C)c(C)c1C([O-])=C(C#N)c1nc2cc(F)ccc2s1 ZINC000592973342 1115272140 /nfs/dbraw/zinc/27/21/40/1115272140.db2.gz DFVUSZVJVGGTLT-ZDUSSCGKSA-N -1 0 370.453 4.494 20 30 FIEDRM CC(C)(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593203526 1115306089 /nfs/dbraw/zinc/30/60/89/1115306089.db2.gz MIVZOFQNRVGQCV-UHFFFAOYSA-N -1 0 372.490 4.466 20 30 FIEDRM Cc1c([N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)n[nH]c1C(C)C ZINC000594723795 1115478941 /nfs/dbraw/zinc/47/89/41/1115478941.db2.gz LKQGKNOOAJRZDJ-UHFFFAOYSA-N -1 0 374.491 4.037 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2cccc3ccccc32)c(C)c1 ZINC000046929926 1115548173 /nfs/dbraw/zinc/54/81/73/1115548173.db2.gz BJNSFGBFBZSDND-UHFFFAOYSA-N -1 0 353.443 4.345 20 30 FIEDRM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)Cc1cccs1 ZINC000046929156 1115549209 /nfs/dbraw/zinc/54/92/09/1115549209.db2.gz SSIBCDZQQAQXMZ-UHFFFAOYSA-N -1 0 351.493 4.242 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2coc3cc(C)c(C)cc23)cc1 ZINC000046927549 1115549460 /nfs/dbraw/zinc/54/94/60/1115549460.db2.gz MUNVIARNXJNUON-UHFFFAOYSA-N -1 0 357.431 4.246 20 30 FIEDRM Cc1cc(Cl)c2ncc(C#N)c(N3CCC[C@@H](CCC(=O)[O-])C3)c2c1 ZINC000595973598 1115568836 /nfs/dbraw/zinc/56/88/36/1115568836.db2.gz DXNMCCCXRDLZAT-ZDUSSCGKSA-N -1 0 357.841 4.150 20 30 FIEDRM N#Cc1c2c(sc1NC(=O)c1coc(-c3cccnc3)n1)CCCCC2 ZINC000598802647 1115755635 /nfs/dbraw/zinc/75/56/35/1115755635.db2.gz ZHYXRWYFLLUTAE-UHFFFAOYSA-N -1 0 364.430 4.191 20 30 FIEDRM CCc1ccc(-c2ccc(C([O-])=C(C#N)C(=O)NC3CCCCC3)o2)cc1 ZINC000173962196 1116101733 /nfs/dbraw/zinc/10/17/33/1116101733.db2.gz ILMDRIBGYWSGPO-GOSISDBHSA-N -1 0 364.445 4.280 20 30 FIEDRM CC(C)c1c(C([O-])=C(C#N)c2nc3ccccc3o2)cnn1-c1ccccn1 ZINC000535375674 1116300922 /nfs/dbraw/zinc/30/09/22/1116300922.db2.gz UKHCMZSMJKZENJ-CQSZACIVSA-N -1 0 371.400 4.022 20 30 FIEDRM CCOc1ccccc1-c1cccc(C(=O)N=c2[n-]n(C(C)C)cc2C#N)c1 ZINC000540106660 1117877759 /nfs/dbraw/zinc/87/77/59/1117877759.db2.gz POVUTOBIVZDMGB-UHFFFAOYSA-N -1 0 374.444 4.076 20 30 FIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cnn(CC(C)C)c3)n2)cc1 ZINC000541021701 1118357114 /nfs/dbraw/zinc/35/71/14/1118357114.db2.gz XUSXIPAJFOHHKN-QGZVFWFLSA-N -1 0 364.474 4.461 20 30 FIEDRM N#CCc1ccc(CSc2n[n-]c(=NCc3ccc(F)cc3)s2)cc1 ZINC000541286339 1118464644 /nfs/dbraw/zinc/46/46/44/1118464644.db2.gz HZWWQPRFGVFHPE-UHFFFAOYSA-N -1 0 370.478 4.070 20 30 FIEDRM COc1ccc(Cl)cc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464414431 1118547923 /nfs/dbraw/zinc/54/79/23/1118547923.db2.gz KJVCMZWRFXTPOI-GFCCVEGCSA-N -1 0 354.715 4.252 20 30 FIEDRM CSCc1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cc1 ZINC000464421165 1118558464 /nfs/dbraw/zinc/55/84/64/1118558464.db2.gz SOXXDCKRFROMGU-AWEZNQCLSA-N -1 0 350.365 4.453 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cnc2ccccc12 ZINC000464428383 1118561820 /nfs/dbraw/zinc/56/18/20/1118561820.db2.gz SLKLCONZNGUROA-AWEZNQCLSA-N -1 0 355.319 4.447 20 30 FIEDRM CC(C)COc1ncccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464473221 1118574643 /nfs/dbraw/zinc/57/46/43/1118574643.db2.gz QXPHYTQNFKUCTF-CQSZACIVSA-N -1 0 363.339 4.020 20 30 FIEDRM COCc1c2ccccc2oc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464461244 1118578270 /nfs/dbraw/zinc/57/82/70/1118578270.db2.gz AZOIMRLEANXNTE-CYBMUJFWSA-N -1 0 374.318 4.483 20 30 FIEDRM N#CC(=C([O-])c1nccnc1Sc1ccccc1)c1nc2ccccc2o1 ZINC000542284225 1118881997 /nfs/dbraw/zinc/88/19/97/1118881997.db2.gz MQPJEIJUNPPJDZ-CQSZACIVSA-N -1 0 372.409 4.259 20 30 FIEDRM CCOc1ncc(C([O-])=C(C#N)c2nc3ccccc3s2)cc1Cl ZINC000491920404 1118994891 /nfs/dbraw/zinc/99/48/91/1118994891.db2.gz JYFKNMFLOSLJQN-NSHDSACASA-N -1 0 357.822 4.233 20 30 FIEDRM COc1ccc(C(=O)/C=C/c2ccc(C(F)(F)F)s2)cc1CC(=O)[O-] ZINC000761474925 1119019529 /nfs/dbraw/zinc/01/95/29/1119019529.db2.gz BKPGSPGDVHSBKQ-HWKANZROSA-N -1 0 370.348 4.299 20 30 FIEDRM O=C([O-])C(=O)/C(=C\c1ccc(Cl)nc1Cl)c1ccc2ccccc2n1 ZINC000761477879 1119158437 /nfs/dbraw/zinc/15/84/37/1119158437.db2.gz ZYSNYTBYIHIWCN-XFXZXTDPSA-N -1 0 373.195 4.131 20 30 FIEDRM CCCOc1ccc(C(=O)/C=C\c2cccc(O[C@@H](C)C(=O)[O-])c2)cc1 ZINC000211952111 1119232768 /nfs/dbraw/zinc/23/27/68/1119232768.db2.gz OGNDCPDQHZGSQI-XCHKQJEOSA-N -1 0 354.402 4.223 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc(C(C)C)cs2)cnn1-c1ccccc1 ZINC000177771824 1119350444 /nfs/dbraw/zinc/35/04/44/1119350444.db2.gz VQJFKLZANPOKEK-OAHLLOKOSA-N -1 0 350.447 4.251 20 30 FIEDRM COc1cccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1OC(F)F ZINC000177772195 1119350507 /nfs/dbraw/zinc/35/05/07/1119350507.db2.gz ZUHQKVRVOFAOSO-LLVKDONJSA-N -1 0 366.389 4.367 20 30 FIEDRM CCCN(CC)c1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cn1 ZINC000183128762 1119566393 /nfs/dbraw/zinc/56/63/93/1119566393.db2.gz CLDVNHXUOABSCY-OAHLLOKOSA-N -1 0 356.495 4.388 20 30 FIEDRM C=C(C)[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1ccc(F)c(F)c1 ZINC000184846484 1119626283 /nfs/dbraw/zinc/62/62/83/1119626283.db2.gz HIDYPTLXLUPUGK-OAHLLOKOSA-N -1 0 357.278 4.135 20 30 FIEDRM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(C#N)cc1OC ZINC000191567709 1119984651 /nfs/dbraw/zinc/98/46/51/1119984651.db2.gz NPUNAPWZKBXCDI-UHFFFAOYSA-N -1 0 370.474 4.220 20 30 FIEDRM Cn1cc(Cl)cc1C([O-])=C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000193664980 1120172918 /nfs/dbraw/zinc/17/29/18/1120172918.db2.gz SWRRITDBOIFAMY-CQSZACIVSA-N -1 0 366.833 4.164 20 30 FIEDRM N#CC(=C([O-])c1ccc(OCc2ccccc2)nc1)c1nc2ccccc2o1 ZINC000194681395 1120292442 /nfs/dbraw/zinc/29/24/42/1120292442.db2.gz ISLSDPKJAHWUSY-KRWDZBQOSA-N -1 0 369.380 4.292 20 30 FIEDRM Cc1nnc(N=NC2CCC(c3cccc(C(F)(F)F)c3)CC2)[n-]c1=O ZINC000761750112 1120329020 /nfs/dbraw/zinc/32/90/20/1120329020.db2.gz VGHLTLSPPREQME-UHFFFAOYSA-N -1 0 365.359 4.030 20 30 FIEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1ccc(F)c(Cl)c1Cl ZINC000761828577 1120513886 /nfs/dbraw/zinc/51/38/86/1120513886.db2.gz SYBGZTIAQXIUDT-UHFFFAOYSA-N -1 0 357.168 4.285 20 30 FIEDRM CCCOc1cc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)ccc1OC ZINC000915106711 1120816487 /nfs/dbraw/zinc/81/64/87/1120816487.db2.gz UELXCFWNHDYDBX-UXBLZVDNSA-N -1 0 354.402 4.007 20 30 FIEDRM CC(=Cc1ccc(OCc2ccc(C)cc2)cc1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000193608603 1120981276 /nfs/dbraw/zinc/98/12/76/1120981276.db2.gz PVQMJOWIZPTMAY-VBKFSLOCSA-N -1 0 371.440 4.398 20 30 FIEDRM CC(=Cc1cccc(OCc2ccccc2)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000193615063 1120986042 /nfs/dbraw/zinc/98/60/42/1120986042.db2.gz BEXGQJICRGVSMP-RVDMUPIBSA-N -1 0 357.413 4.090 20 30 FIEDRM O=C([O-])c1ccc(C(=O)/C=C/c2ccc(Br)c(F)c2)s1 ZINC000763115089 1121134381 /nfs/dbraw/zinc/13/43/81/1121134381.db2.gz XLXWPGWFOCEBBF-DUXPYHPUSA-N -1 0 355.184 4.244 20 30 FIEDRM Cc1cc(C)c2c(c1)C(=O)/C(=C/c1cccc(O[C@H](C)C(=O)[O-])c1)CCO2 ZINC000763115618 1121134613 /nfs/dbraw/zinc/13/46/13/1121134613.db2.gz ASUYCQPSRJEDBA-QAEAHILHSA-N -1 0 366.413 4.204 20 30 FIEDRM CCCCOc1ccc(/C=C/C(=O)c2ccc(OC)c(CC(=O)[O-])c2)cc1 ZINC000032890833 1121239774 /nfs/dbraw/zinc/23/97/74/1121239774.db2.gz APCOHDPXYORPNE-YRNVUSSQSA-N -1 0 368.429 4.397 20 30 FIEDRM [O-]c1c(Cl)cc(Cl)cc1/C=N/C1CCN(c2ccccn2)CC1 ZINC000915979196 1121360498 /nfs/dbraw/zinc/36/04/98/1121360498.db2.gz MJLUGIGURQYHAY-SRZZPIQSSA-N -1 0 350.249 4.182 20 30 FIEDRM O=C([O-])CCOc1ccc(/C=C\C(=O)c2cccc(OC(F)F)c2)cc1 ZINC000915983922 1121363940 /nfs/dbraw/zinc/36/39/40/1121363940.db2.gz DYOZQHYMRATLIV-TWGQIWQCSA-N -1 0 362.328 4.038 20 30 FIEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2cnn(-c3ccc(Cl)cc3)c2)cc1 ZINC000915987414 1121366896 /nfs/dbraw/zinc/36/68/96/1121366896.db2.gz CMQSLOQEQLLOQA-XCVCLJGOSA-N -1 0 366.804 4.049 20 30 FIEDRM O=C(/C=C\c1ccc2ccccc2c1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000916129966 1121418970 /nfs/dbraw/zinc/41/89/70/1121418970.db2.gz DJCMRVGTZSLYST-TWGQIWQCSA-N -1 0 373.452 4.274 20 30 FIEDRM O=C([O-])CCCOc1ccc(C(=O)/C=C\c2ccc3ncccc3c2)cc1 ZINC000916155297 1121429700 /nfs/dbraw/zinc/42/97/00/1121429700.db2.gz SIFWHUVZFIPABU-SDQBBNPISA-N -1 0 361.397 4.375 20 30 FIEDRM O=C([O-])COc1ccc(C=NN(Cc2ccccc2)c2ccccc2)cc1 ZINC000916249709 1121457397 /nfs/dbraw/zinc/45/73/97/1121457397.db2.gz HDBAGECTWGEVEZ-UHFFFAOYSA-N -1 0 360.413 4.191 20 30 FIEDRM O=C([O-])c1ccccc1C=NN=C(C(=O)c1ccccc1)c1ccccc1 ZINC000916267091 1121459462 /nfs/dbraw/zinc/45/94/62/1121459462.db2.gz ZIZTVTKTJJWUOZ-UHFFFAOYSA-N -1 0 356.381 4.091 20 30 FIEDRM O=[N+]([O-])c1cc(CN=Nc2nc(Cl)c(Cl)cc2Cl)ccc1[O-] ZINC000916318342 1121472334 /nfs/dbraw/zinc/47/23/34/1121472334.db2.gz PUALNAFYBCZMQX-UHFFFAOYSA-N -1 0 361.572 4.102 20 30 FIEDRM COc1cc(/C=C2/CCCc3ccccc3C2=O)ccc1OCCC(=O)[O-] ZINC000763368674 1121482334 /nfs/dbraw/zinc/48/23/34/1121482334.db2.gz JBDKTBKAAVRRNA-LGMDPLHJSA-N -1 0 366.413 4.151 20 30 FIEDRM CC(C)Oc1ccc(NC(=O)c2ccc3[n-]c(=S)oc3c2)cc1C#N ZINC000154010908 1121524540 /nfs/dbraw/zinc/52/45/40/1121524540.db2.gz VSMRPKPGZQFISH-UHFFFAOYSA-N -1 0 353.403 4.028 20 30 FIEDRM O=C(c1ccc(Br)cc1[O-])N(O)Cc1cccc2ccccc21 ZINC001649069861 1121542237 /nfs/dbraw/zinc/54/22/37/1121542237.db2.gz KILUTCQFGXDKQQ-UHFFFAOYSA-N -1 0 372.218 4.340 20 30 FIEDRM N#CC(=C([O-])c1ncoc1C1CC1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000497365019 1122143333 /nfs/dbraw/zinc/14/33/33/1122143333.db2.gz PTJPVPIENALCOB-CQSZACIVSA-N -1 0 360.398 4.037 20 30 FIEDRM Cc1cc(Br)ccc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000054735537 1122195359 /nfs/dbraw/zinc/19/53/59/1122195359.db2.gz GQKZJAFPUCSUEI-CYBMUJFWSA-N -1 0 355.191 4.389 20 30 FIEDRM O=C([O-])COc1cccc(C(=O)/C=C/c2cccc(OC3CCCC3)c2)c1 ZINC000917516655 1122344258 /nfs/dbraw/zinc/34/42/58/1122344258.db2.gz CEPXMKSTIVNDFF-VAWYXSNFSA-N -1 0 366.413 4.368 20 30 FIEDRM Cc1cc(C#N)ccc1C([O-])=C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000129594326 1122646119 /nfs/dbraw/zinc/64/61/19/1122646119.db2.gz FEGFCEZPBLOVDC-SFHVURJKSA-N -1 0 368.421 4.352 20 30 FIEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2c(F)c(F)ccc2Cl)cc1 ZINC000556347125 1122826884 /nfs/dbraw/zinc/82/68/84/1122826884.db2.gz UZJBHRIEMNZULC-UHFFFAOYSA-N -1 0 370.808 4.220 20 30 FIEDRM Cc1cc(C#N)cnc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000556700918 1123046810 /nfs/dbraw/zinc/04/68/10/1123046810.db2.gz WIIIKAGTOAOVIS-LBPRGKRZSA-N -1 0 352.806 4.015 20 30 FIEDRM C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000131805326 1123188200 /nfs/dbraw/zinc/18/82/00/1123188200.db2.gz LSKAIBDFACCIFJ-CYBMUJFWSA-N -1 0 372.471 4.485 20 30 FIEDRM Cc1onc(-c2cccnc2)c1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000556934297 1123247170 /nfs/dbraw/zinc/24/71/70/1123247170.db2.gz PIDMOQIGZVMOJR-KRWDZBQOSA-N -1 0 354.369 4.083 20 30 FIEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1ccc(OC(C)C)cc1 ZINC000920102107 1123349886 /nfs/dbraw/zinc/34/98/86/1123349886.db2.gz PDXKXWNEHMEDRN-SFHVURJKSA-N -1 0 360.413 4.469 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)Cc1ccccc1Cl ZINC000920101640 1123350062 /nfs/dbraw/zinc/35/00/62/1123350062.db2.gz GYWPTCKWBYZXIH-HNNXBMFYSA-N -1 0 350.805 4.264 20 30 FIEDRM CCc1cccc(OCC(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)c1 ZINC000920102610 1123350702 /nfs/dbraw/zinc/35/07/02/1123350702.db2.gz XKRFJEQDOXCTGG-GOSISDBHSA-N -1 0 360.413 4.009 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCOc1ccc(C)cc1C ZINC000920105336 1123351824 /nfs/dbraw/zinc/35/18/24/1123351824.db2.gz BSIZRYMUITUWPY-GOSISDBHSA-N -1 0 374.440 4.454 20 30 FIEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/CC2(c3ccc(Cl)cc3)CCOCC2)c1 ZINC000920177232 1123404090 /nfs/dbraw/zinc/40/40/90/1123404090.db2.gz DQGYUMJBPQQMNU-CIAFOILYSA-N -1 0 374.824 4.121 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)ccc1[N+](=O)[O-] ZINC000609321532 1123536840 /nfs/dbraw/zinc/53/68/40/1123536840.db2.gz DXWQCHIQUAVTHD-GFCCVEGCSA-N -1 0 355.350 4.142 20 30 FIEDRM CCOc1ccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1OC ZINC000920947124 1123540739 /nfs/dbraw/zinc/54/07/39/1123540739.db2.gz CJCMWBVTQFQKGS-UHFFFAOYSA-N -1 0 350.758 4.112 20 30 FIEDRM CCOc1ccc(/C=C2\CCc3oc(C(=O)[O-])c(C)c3C2=O)cc1OCC ZINC000920991270 1123543836 /nfs/dbraw/zinc/54/38/36/1123543836.db2.gz FOYBNHJYTDRQNN-GXDHUFHOSA-N -1 0 370.401 4.296 20 30 FIEDRM O=C(CCCc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000064697652 1123931370 /nfs/dbraw/zinc/93/13/70/1123931370.db2.gz UHJJJIIFXIWMHG-UHFFFAOYSA-N -1 0 355.818 4.147 20 30 FIEDRM CC(C)c1cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)n(C)n1 ZINC000080281842 1123961382 /nfs/dbraw/zinc/96/13/82/1123961382.db2.gz YFRYJECDFUCNKM-LLVKDONJSA-N -1 0 358.854 4.297 20 30 FIEDRM CC(C)c1cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)n(C)n1 ZINC000080281846 1123961461 /nfs/dbraw/zinc/96/14/61/1123961461.db2.gz YFRYJECDFUCNKM-NSHDSACASA-N -1 0 358.854 4.297 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)nn1-c1ccccc1 ZINC000080455563 1123966302 /nfs/dbraw/zinc/96/63/02/1123966302.db2.gz IHAVCKBNUUZXBD-OAHLLOKOSA-N -1 0 350.447 4.251 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc3ccccc3s2)n1 ZINC000067896001 1123983056 /nfs/dbraw/zinc/98/30/56/1123983056.db2.gz KDUDFYKEMDXLDP-NSHDSACASA-N -1 0 356.428 4.025 20 30 FIEDRM N#Cc1c(NC(=O)CC2(CC(=O)[O-])CCCC2)sc2c1CCCCC2 ZINC000327089738 1124362709 /nfs/dbraw/zinc/36/27/09/1124362709.db2.gz IFKXQCQOIPAYIE-UHFFFAOYSA-N -1 0 360.479 4.252 20 30 FIEDRM CC(C)Oc1cccc(CC(=O)[N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000069282962 1124719751 /nfs/dbraw/zinc/71/97/51/1124719751.db2.gz UBXSLKYNWSGZAJ-UHFFFAOYSA-N -1 0 367.854 4.015 20 30 FIEDRM C[C@H](Cc1cccc(F)c1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000069282153 1124719824 /nfs/dbraw/zinc/71/98/24/1124719824.db2.gz YKPKIUFLDGXSMS-LLVKDONJSA-N -1 0 355.818 4.003 20 30 FIEDRM C[C@@H](Cc1cccc(F)c1)C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000069282965 1124719898 /nfs/dbraw/zinc/71/98/98/1124719898.db2.gz GZDCCSZJOAKNEG-NSHDSACASA-N -1 0 355.818 4.003 20 30 FIEDRM Cc1ccc2nc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)ccc2c1 ZINC000499457502 1124725961 /nfs/dbraw/zinc/72/59/61/1124725961.db2.gz UAPPPFJKQFZTQE-AWEZNQCLSA-N -1 0 355.319 4.447 20 30 FIEDRM Cc1ccc(-c2nc(C([O-])=C(C#N)c3cc(C)nc(C)n3)cs2)c(C)c1 ZINC000069344425 1124804777 /nfs/dbraw/zinc/80/47/77/1124804777.db2.gz WYHLPFUJGUTRPJ-MRXNPFEDSA-N -1 0 362.458 4.324 20 30 FIEDRM O=C([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1cc(F)ccc1F ZINC000069641800 1125079618 /nfs/dbraw/zinc/07/96/18/1125079618.db2.gz ZJMJVWLOESMYQO-UHFFFAOYSA-N -1 0 372.201 4.027 20 30 FIEDRM Cc1nc2c(cccc2C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)o1 ZINC000672581873 1125188919 /nfs/dbraw/zinc/18/89/19/1125188919.db2.gz MBBNKAYSRZGNMG-LBPRGKRZSA-N -1 0 366.327 4.371 20 30 FIEDRM CCOc1ncccc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000093244955 1125288132 /nfs/dbraw/zinc/28/81/32/1125288132.db2.gz JUDSZVASKYWWJQ-LBPRGKRZSA-N -1 0 357.822 4.233 20 30 FIEDRM N#Cc1ccc2ncc(/C=C/c3nc(C(=O)[O-])c(-c4ccccc4)s3)n2c1 ZINC000541800721 567867805 /nfs/dbraw/zinc/86/78/05/567867805.db2.gz JNTFHMNVXCLSIT-VQHVLOKHSA-N -1 0 372.409 4.198 20 30 FIEDRM COc1ccccc1N=c1[n-]nc(SCc2cc(F)ccc2C#N)s1 ZINC000468797102 567903922 /nfs/dbraw/zinc/90/39/22/567903922.db2.gz DEJVDWKDTCKNKS-UHFFFAOYSA-N -1 0 372.450 4.015 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)s1 ZINC000066814128 568071011 /nfs/dbraw/zinc/07/10/11/568071011.db2.gz UXSRHNMICQFDDF-LBPRGKRZSA-N -1 0 352.506 4.252 20 30 FIEDRM CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000603982178 568194272 /nfs/dbraw/zinc/19/42/72/568194272.db2.gz GVUSLUZVYKAMHX-UHFFFAOYSA-N -1 0 364.854 4.110 20 30 FIEDRM CCn1cc(C([O-])=C(C#N)c2nc3cc(C(F)(F)F)ccc3s2)cn1 ZINC000604005424 568195869 /nfs/dbraw/zinc/19/58/69/568195869.db2.gz GZGFLXDQBOSPGD-NSHDSACASA-N -1 0 364.352 4.022 20 30 FIEDRM Cc1[nH]nc(C([O-])=C(C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1C ZINC000604690895 568346046 /nfs/dbraw/zinc/34/60/46/568346046.db2.gz MKQXXSSHQNPKPL-SNVBAGLBSA-N -1 0 364.352 4.145 20 30 FIEDRM CC(C)COc1ncc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1Cl ZINC000182876929 1125659236 /nfs/dbraw/zinc/65/92/36/1125659236.db2.gz JKLDPOGIQOSGLS-ZDUSSCGKSA-N -1 0 369.808 4.401 20 30 FIEDRM CC(C)(O)C#Cc1cccc(Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1 ZINC001211489744 1079638617 /nfs/dbraw/zinc/63/86/17/1079638617.db2.gz GBXBMSPPHBBVAG-UHFFFAOYSA-N -1 0 363.335 4.270 20 30 FIEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)Cc2cccc3ccccc32)cc1 ZINC000042247416 1079786249 /nfs/dbraw/zinc/78/62/49/1079786249.db2.gz NTWCYYCQEMKOCS-UHFFFAOYSA-N -1 0 369.442 4.126 20 30 FIEDRM CCSc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000179611593 1080211964 /nfs/dbraw/zinc/21/19/64/1080211964.db2.gz XRZCABXFMWMAFX-ZDUSSCGKSA-N -1 0 367.386 4.338 20 30 FIEDRM CCCC(CCC)N=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000748085266 1080228958 /nfs/dbraw/zinc/22/89/58/1080228958.db2.gz BEOHWANSQVIHDW-UHFFFAOYSA-N -1 0 366.512 4.312 20 30 FIEDRM CC(C)(C)c1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000047359015 1080293058 /nfs/dbraw/zinc/29/30/58/1080293058.db2.gz FVFUXXHQNHNSJR-ZDUSSCGKSA-N -1 0 362.389 4.259 20 30 FIEDRM CC(C)(C)c1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000047359013 1080293601 /nfs/dbraw/zinc/29/36/01/1080293601.db2.gz FVFUXXHQNHNSJR-CYBMUJFWSA-N -1 0 362.389 4.259 20 30 FIEDRM Cc1nc(C(C)C)sc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000075918043 1080411279 /nfs/dbraw/zinc/41/12/79/1080411279.db2.gz FISLEUABVSYDOG-LLVKDONJSA-N -1 0 353.369 4.479 20 30 FIEDRM Cc1c(CS(C)(=O)=O)cccc1N=Cc1cc(Cl)cc(Cl)c1[O-] ZINC000255060799 1081057504 /nfs/dbraw/zinc/05/75/04/1081057504.db2.gz GNPJWJPXIYMWDC-UHFFFAOYSA-N -1 0 372.273 4.303 20 30 FIEDRM O=C(CCSc1ccccc1F)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000048409974 1081237797 /nfs/dbraw/zinc/23/77/97/1081237797.db2.gz OWXBLEWTGPJCPM-UHFFFAOYSA-N -1 0 373.858 4.307 20 30 FIEDRM CC(=O)Nc1ccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cc1F ZINC000683689906 1081387806 /nfs/dbraw/zinc/38/78/06/1081387806.db2.gz SVJOQLOOVLKOHI-LBPRGKRZSA-N -1 0 371.368 4.023 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3nc(C)c(C)s3)n2)cc1 ZINC000683689965 1081387931 /nfs/dbraw/zinc/38/79/31/1081387931.db2.gz VNHBFCSIKGCZMO-CQSZACIVSA-N -1 0 369.471 4.382 20 30 FIEDRM O=C1c2cc(Cl)cc(Cl)c2OC/C1=C/c1ccc([N+](=O)[O-])c([O-])c1 ZINC000748145827 1081569132 /nfs/dbraw/zinc/56/91/32/1081569132.db2.gz ADPBLMDPYNOWBC-OQFOIZHKSA-N -1 0 366.156 4.266 20 30 FIEDRM COc1cc(OC)c(OC)cc1N=Cc1cc(Cl)cc(Cl)c1[O-] ZINC000255194480 1081843657 /nfs/dbraw/zinc/84/36/57/1081843657.db2.gz GPIOEHDCZMLXQD-UHFFFAOYSA-N -1 0 356.205 4.475 20 30 FIEDRM CCc1occc1C([O-])=C(C#N)c1nc(-c2ccc(OC)cc2)cs1 ZINC000430514958 1082139478 /nfs/dbraw/zinc/13/94/78/1082139478.db2.gz MGIUNZGITTYRFG-HNNXBMFYSA-N -1 0 352.415 4.464 20 30 FIEDRM C[C@H](Nc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccc1 ZINC000581153142 1082342995 /nfs/dbraw/zinc/34/29/95/1082342995.db2.gz KNDLUIZIAMJFNV-AWEZNQCLSA-N -1 0 367.430 4.125 20 30 FIEDRM CCc1c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cnn1C(C)(C)C ZINC000430586168 1082529373 /nfs/dbraw/zinc/52/93/73/1082529373.db2.gz SEBFMMFQAQKSBR-LBPRGKRZSA-N -1 0 358.511 4.445 20 30 FIEDRM CC(=O)Nc1cccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1C ZINC000430595340 1082550924 /nfs/dbraw/zinc/55/09/24/1082550924.db2.gz UGJXIMKVDPFZIL-AWEZNQCLSA-N -1 0 355.463 4.198 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cnn1CCC(C)C ZINC000430598947 1082561091 /nfs/dbraw/zinc/56/10/91/1082561091.db2.gz FGFWFYWKZHMDCI-AWEZNQCLSA-N -1 0 358.511 4.482 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cnn(CCC(F)(F)F)c2)s1 ZINC000430607804 1082620822 /nfs/dbraw/zinc/62/08/22/1082620822.db2.gz ZRBDMVMQIDMIEA-LLVKDONJSA-N -1 0 370.400 4.080 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2c[nH]nc2-c2ccccc2)s1 ZINC000430610561 1082656613 /nfs/dbraw/zinc/65/66/13/1082656613.db2.gz LAJBAJXVTLIQAT-ZDUSSCGKSA-N -1 0 350.447 4.321 20 30 FIEDRM N#CC(C(=O)Nc1ccc(SC(F)F)cc1)=C([O-])c1ccc(Cl)o1 ZINC000126582298 1082672385 /nfs/dbraw/zinc/67/23/85/1082672385.db2.gz FYUNGHMGYIFYGW-JTQLQIEISA-N -1 0 370.764 4.209 20 30 FIEDRM N#C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccsc1 ZINC000126584887 1082674332 /nfs/dbraw/zinc/67/43/32/1082674332.db2.gz USHBUAJGPPDKRW-GFCCVEGCSA-N -1 0 352.387 4.024 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cc(Cl)cc([N+](=O)[O-])c2)s1 ZINC000430626892 1082748701 /nfs/dbraw/zinc/74/87/01/1082748701.db2.gz MOXZJKUPEBYPGW-GFCCVEGCSA-N -1 0 363.826 4.492 20 30 FIEDRM Cc1nn(CC(F)F)c(C)c1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430630339 1082768590 /nfs/dbraw/zinc/76/85/90/1082768590.db2.gz YHRNZJIUFGSBHO-LLVKDONJSA-N -1 0 366.437 4.009 20 30 FIEDRM COc1ccc(/C=C\C(=O)c2ccc(C)cc2[O-])cc1OCCCC#N ZINC000255356021 1082782758 /nfs/dbraw/zinc/78/27/58/1082782758.db2.gz NLSOYVRUCJCDLP-TWGQIWQCSA-N -1 0 351.402 4.288 20 30 FIEDRM COc1cc(/C=C\C(=O)c2cc3ccccc3o2)ccc1OCCC(=O)[O-] ZINC000588428770 1082912403 /nfs/dbraw/zinc/91/24/03/1082912403.db2.gz BULNPVJSKDLQNZ-VURMDHGXSA-N -1 0 366.369 4.191 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1c[nH]c(C(F)(F)F)c1 ZINC000796713502 1082976486 /nfs/dbraw/zinc/97/64/86/1082976486.db2.gz IQTBNHJTCUGKHZ-GFCCVEGCSA-N -1 0 359.307 4.029 20 30 FIEDRM O=S(=O)([N-]c1ccc(C(F)(F)F)cc1)c1c(F)c(F)cc(F)c1F ZINC000430974900 1083271515 /nfs/dbraw/zinc/27/15/15/1083271515.db2.gz GBPRMFLUUFDXBP-UHFFFAOYSA-N -1 0 373.249 4.063 20 30 FIEDRM CC(C)Cn1ncc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1C1CC1 ZINC000091865686 1083302570 /nfs/dbraw/zinc/30/25/70/1083302570.db2.gz PCHWKDFDHVTMKM-AWEZNQCLSA-N -1 0 356.495 4.486 20 30 FIEDRM Cc1oc(Br)cc1C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000647380382 1083378048 /nfs/dbraw/zinc/37/80/48/1083378048.db2.gz LCMAAFXKKZBSLQ-JTQLQIEISA-N -1 0 351.225 4.175 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1[O-] ZINC000188377401 1083536333 /nfs/dbraw/zinc/53/63/33/1083536333.db2.gz BZJHUTWIJOBNAV-UHFFFAOYSA-N -1 0 354.369 4.059 20 30 FIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cn(C)nc3C(F)F)n2)cc1 ZINC000535839351 1083796009 /nfs/dbraw/zinc/79/60/09/1083796009.db2.gz XEWGVZZRHPLKCN-GFCCVEGCSA-N -1 0 372.400 4.280 20 30 FIEDRM COC(=O)c1ccccc1-c1ccc(/C=C\C(=O)c2ccc([O-])c(F)c2)o1 ZINC000728439312 1084168425 /nfs/dbraw/zinc/16/84/25/1084168425.db2.gz ZKTBEESPTYSSKL-YFHOEESVSA-N -1 0 366.344 4.474 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)cc1[O-] ZINC000188617313 1084303253 /nfs/dbraw/zinc/30/32/53/1084303253.db2.gz ZJEKXRAKINJCTD-UHFFFAOYSA-N -1 0 363.417 4.035 20 30 FIEDRM N#CC(=C([O-])c1cc(-c2ccccc2)n(-c2ccccc2)n1)c1ccccn1 ZINC000613296530 1084557532 /nfs/dbraw/zinc/55/75/32/1084557532.db2.gz IZCGXFCLLWELEF-LJQANCHMSA-N -1 0 364.408 4.424 20 30 FIEDRM Cc1cc(Nc2c(C#N)cnn2-c2ccc(Cl)cc2)cc(C(=O)[O-])c1 ZINC001211539171 1084557838 /nfs/dbraw/zinc/55/78/38/1084557838.db2.gz JUOBIFNWXIZDRA-UHFFFAOYSA-N -1 0 352.781 4.148 20 30 FIEDRM CCc1c(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cnn1C ZINC000613319240 1084590993 /nfs/dbraw/zinc/59/09/93/1084590993.db2.gz ATTJXVUDSXLHFC-ZDUSSCGKSA-N -1 0 370.865 4.249 20 30 FIEDRM CCCc1ncc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)s1 ZINC000174103874 1084735818 /nfs/dbraw/zinc/73/58/18/1084735818.db2.gz NBZZKFYCIHIJAV-GFCCVEGCSA-N -1 0 354.460 4.104 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2csc(Cc3ccc(F)cc3)n2)n1 ZINC000170709310 1084845998 /nfs/dbraw/zinc/84/59/98/1084845998.db2.gz AKAAGZRLOBNAOX-ZDUSSCGKSA-N -1 0 357.435 4.128 20 30 FIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000321550074 1084865479 /nfs/dbraw/zinc/86/54/79/1084865479.db2.gz VZMCLGCLSCGFGE-UHFFFAOYSA-N -1 0 360.744 4.031 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccn(-c3c(F)cccc3F)n2)n1 ZINC000175211467 1084905118 /nfs/dbraw/zinc/90/51/18/1084905118.db2.gz KIUKQTGRLBGTLF-NSHDSACASA-N -1 0 372.400 4.220 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(C)c1 ZINC000048476702 1085000702 /nfs/dbraw/zinc/00/07/02/1085000702.db2.gz WYPIRHJDLCQHCX-CHWSQXEVSA-N -1 0 363.401 4.317 20 30 FIEDRM C[S@](=O)c1cccc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)c1 ZINC000613760107 1085250874 /nfs/dbraw/zinc/25/08/74/1085250874.db2.gz BWDVGXIUOLCPCG-OZAJXLCCSA-N -1 0 374.874 4.177 20 30 FIEDRM Cc1nc(F)ccc1/C=C/C(=O)c1cc(Br)cc(F)c1[O-] ZINC000782352526 1085402431 /nfs/dbraw/zinc/40/24/31/1085402431.db2.gz UYSMKLMORYIRCT-DUXPYHPUSA-N -1 0 354.150 4.032 20 30 FIEDRM N#C[C@@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1cccc(Cl)c1Cl ZINC000184390251 1086101319 /nfs/dbraw/zinc/10/13/19/1086101319.db2.gz SHOBGEQMMQHHNL-GFCCVEGCSA-N -1 0 373.598 4.486 20 30 FIEDRM CCC(CC)n1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)n1 ZINC000432488909 1086841338 /nfs/dbraw/zinc/84/13/38/1086841338.db2.gz MCBOMIVYJSZNRV-OAHLLOKOSA-N -1 0 365.462 4.253 20 30 FIEDRM Cc1ccc(-c2nc(C=NNc3ccc(Cl)c(C(=O)[O-])c3)co2)cc1 ZINC000755467003 1087021546 /nfs/dbraw/zinc/02/15/46/1087021546.db2.gz LJYGGHFAIRDELL-UHFFFAOYSA-N -1 0 355.781 4.448 20 30 FIEDRM CC(C)(C)c1[n-]n(Cc2ccc(C(F)(F)F)cc2)c(=O)c1CCC#N ZINC000151842540 1087279556 /nfs/dbraw/zinc/27/95/56/1087279556.db2.gz GSVLYXXPJROJCM-UHFFFAOYSA-N -1 0 351.372 4.409 20 30 FIEDRM COc1cc(N=Cc2cc(Cl)cc(Cl)c2[O-])ccc1NC(C)=O ZINC000255644251 1087723156 /nfs/dbraw/zinc/72/31/56/1087723156.db2.gz VNWZZXJQEYFUFK-UHFFFAOYSA-N -1 0 353.205 4.417 20 30 FIEDRM CCn1c2ccc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)cc2[nH]c1=O ZINC000659115499 1088124224 /nfs/dbraw/zinc/12/42/24/1088124224.db2.gz ZIAPKZVHCFKCTE-LBPRGKRZSA-N -1 0 368.462 4.006 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3o2)cnn1-c1cc(C)ccc1C ZINC000179115208 1088736905 /nfs/dbraw/zinc/73/69/05/1088736905.db2.gz FXMCFPSSXRZILK-INIZCTEOSA-N -1 0 370.412 4.429 20 30 FIEDRM CCCCOc1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc1OCC ZINC000435336758 1089540650 /nfs/dbraw/zinc/54/06/50/1089540650.db2.gz QRORKENMNOEOCE-KAMYIIQDSA-N -1 0 367.449 4.088 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCCC3)cc2)s1 ZINC000435502020 1089719864 /nfs/dbraw/zinc/71/98/64/1089719864.db2.gz SEUBIIAGSOGPQA-UHFFFAOYSA-N -1 0 362.476 4.132 20 30 FIEDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)ccc1C#N ZINC000435729180 1089900973 /nfs/dbraw/zinc/90/09/73/1089900973.db2.gz SZWUGEXDGNPTIJ-AWEZNQCLSA-N -1 0 371.487 4.062 20 30 FIEDRM CCn1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c(C(F)(F)F)n1 ZINC000435774258 1089929172 /nfs/dbraw/zinc/92/91/72/1089929172.db2.gz PJUGXUXGZPDOJW-VIFPVBQESA-N -1 0 370.400 4.166 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cn(-c3ccccc3)cn2)s1 ZINC000651352687 1090281064 /nfs/dbraw/zinc/28/10/64/1090281064.db2.gz FVLJOOZVNRTYQZ-CQSZACIVSA-N -1 0 350.447 4.116 20 30 FIEDRM CCCc1sc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1CC ZINC000072678759 1090436386 /nfs/dbraw/zinc/43/63/86/1090436386.db2.gz FQTLJAGDMSRUSJ-CQSZACIVSA-N -1 0 356.495 4.071 20 30 FIEDRM Cc1ccc(-c2ncc(C([O-])=C(C#N)c3cc(C)nc(C)n3)s2)c(C)c1 ZINC000147021949 1091735726 /nfs/dbraw/zinc/73/57/26/1091735726.db2.gz WANZFPLPXUIKOR-MRXNPFEDSA-N -1 0 362.458 4.324 20 30 FIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cc(C4CC4)n(C)n3)n2)cc1 ZINC000442671917 1092716060 /nfs/dbraw/zinc/71/60/60/1092716060.db2.gz HJRDGOUQNLGKMB-OAHLLOKOSA-N -1 0 362.458 4.220 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)cc1[O-] ZINC000442958533 1092886889 /nfs/dbraw/zinc/88/68/89/1092886889.db2.gz BUNYABWFCXEFCL-UHFFFAOYSA-N -1 0 372.428 4.359 20 30 FIEDRM CCOc1ccc(F)c(Nc2cc(C#N)c(F)cc2[O-])c1Br ZINC001211758705 1093220986 /nfs/dbraw/zinc/22/09/86/1093220986.db2.gz RSWLGZCGBLPJHX-UHFFFAOYSA-N -1 0 369.165 4.447 20 30 FIEDRM COCCC(Cc1cccc(F)c1)N=Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000729140701 1093933318 /nfs/dbraw/zinc/93/33/18/1093933318.db2.gz LNDBNUTWXHMFPL-UHFFFAOYSA-N -1 0 364.804 4.224 20 30 FIEDRM CCOc1ccc(-c2nc(C([O-])=C(C#N)c3nc(C)cs3)cs2)cc1 ZINC000041515508 1094639017 /nfs/dbraw/zinc/63/90/17/1094639017.db2.gz SMAAGVANNLSRQU-AWEZNQCLSA-N -1 0 369.471 4.464 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2OCc2c(C)noc2C)n1 ZINC000041516573 1094641133 /nfs/dbraw/zinc/64/11/33/1094641133.db2.gz YLFPLEDGKGZRHS-OAHLLOKOSA-N -1 0 367.430 4.125 20 30 FIEDRM N#CC(=C([O-])c1n[nH]c2c1CCCCC2)c1nc2cc(Cl)ccc2s1 ZINC000474975864 1094967558 /nfs/dbraw/zinc/96/75/58/1094967558.db2.gz YGYUXVLEJLMFJC-GFCCVEGCSA-N -1 0 370.865 4.432 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cn(C)nc2-c2ccc(Cl)s2)n1 ZINC000475030224 1095208205 /nfs/dbraw/zinc/20/82/05/1095208205.db2.gz RNIDKLPNOAVQKQ-SECBINFHSA-N -1 0 362.867 4.057 20 30 FIEDRM Cc1csc([C@H](C#N)C(=O)c2cccc(C(=O)Nc3ccccc3)c2)n1 ZINC000513750178 1095675346 /nfs/dbraw/zinc/67/53/46/1095675346.db2.gz CDFKUTCENWMTBX-QGZVFWFLSA-N -1 0 361.426 4.194 20 30 FIEDRM Cc1csc(-c2cccc(C([O-])=C(C#N)c3nc4[nH]ccc(C)c-4n3)c2)n1 ZINC000429592642 1095974883 /nfs/dbraw/zinc/97/48/83/1095974883.db2.gz UAMVPSKDRNQACY-HNNXBMFYSA-N -1 0 373.441 4.188 20 30 FIEDRM Cc1onc(OC(F)F)c1[N-]C(=O)c1c(F)cc(C(F)(F)F)cc1F ZINC001269192657 1096015970 /nfs/dbraw/zinc/01/59/70/1096015970.db2.gz CBJXHZPRTKKDJW-UHFFFAOYSA-N -1 0 372.196 4.134 20 30 FIEDRM C[C@@H](C(=O)[N-][C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)C(F)(F)F ZINC000436467582 1099036087 /nfs/dbraw/zinc/03/60/87/1099036087.db2.gz DUFAZBIEVVIJLI-SSDLBLMSSA-N -1 0 351.649 4.397 20 30 FIEDRM CCCCN(C(=O)c1cc(C#N)c(SC)[n-]c1=O)[C@H]1CCC[C@H](C)C1 ZINC000516035690 1099133416 /nfs/dbraw/zinc/13/34/16/1099133416.db2.gz LMNPGZSFVCVVCD-ZFWWWQNUSA-N -1 0 361.511 4.202 20 30 FIEDRM N#Cc1cc(NC(=O)c2cc(Cl)ccc2[O-])ccc1OCC(F)(F)F ZINC000436788447 1099320650 /nfs/dbraw/zinc/32/06/50/1099320650.db2.gz ZIJOEXPBSWEFQB-UHFFFAOYSA-N -1 0 370.714 4.111 20 30 FIEDRM N#Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccco3)cc2Cl)cc1 ZINC000437650607 1100063046 /nfs/dbraw/zinc/06/30/46/1100063046.db2.gz BLTZBSXFWKMVLW-UHFFFAOYSA-N -1 0 374.805 4.398 20 30 FIEDRM Cc1cccc(S(=O)(=O)[N-]C(=O)Cc2coc3cc4c(cc23)CCC4)c1 ZINC000048511162 1100640671 /nfs/dbraw/zinc/64/06/71/1100640671.db2.gz JAJDLDYUWYWDAT-UHFFFAOYSA-N -1 0 369.442 4.118 20 30 FIEDRM CC(C)CCN(CCC#N)C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1[O-] ZINC000439142067 1101197228 /nfs/dbraw/zinc/19/72/28/1101197228.db2.gz NSACQSDBDZAEIE-UHFFFAOYSA-N -1 0 368.481 4.103 20 30 FIEDRM CCc1ccc([C@H](NC(=O)c2cc(C#N)c(SC)[n-]c2=O)C(C)C)cc1 ZINC000439447678 1101451534 /nfs/dbraw/zinc/45/15/34/1101451534.db2.gz GBNDAOVOHACEHX-QGZVFWFLSA-N -1 0 369.490 4.070 20 30 FIEDRM CCc1ccc(-c2noc([C@@H](C)/N=C\c3cc([N+](=O)[O-])ccc3[O-])n2)cc1 ZINC000760213080 1101759665 /nfs/dbraw/zinc/75/96/65/1101759665.db2.gz OAVVENTVPDGIDD-WXYNYTDUSA-N -1 0 366.377 4.093 20 30 FIEDRM N#CCc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cc1 ZINC000506719375 1101906762 /nfs/dbraw/zinc/90/67/62/1101906762.db2.gz MVQHJJSOBODMOF-UHFFFAOYSA-N -1 0 374.771 4.226 20 30 FIEDRM O=C1c2ccc(Cl)c(Cl)c2C/C1=C\c1ccc([N+](=O)[O-])c([O-])c1 ZINC000729151804 1101921076 /nfs/dbraw/zinc/92/10/76/1101921076.db2.gz YARWGPKUYHCNKQ-WEVVVXLNSA-N -1 0 350.157 4.430 20 30 FIEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)cc2C)onc1C1CCCCC1 ZINC000550793859 1102321856 /nfs/dbraw/zinc/32/18/56/1102321856.db2.gz BEIXMLMIHWCVMV-UHFFFAOYSA-N -1 0 359.451 4.012 20 30 FIEDRM Cc1cc(/C=C/C(=O)c2ccc(OCCCC(=O)[O-])cc2)cnc1Cl ZINC000760262639 1102417520 /nfs/dbraw/zinc/41/75/20/1102417520.db2.gz KTLLNKOLHQNNNJ-RUDMXATFSA-N -1 0 359.809 4.183 20 30 FIEDRM Cc1nnc(-c2cccc(C([O-])=C(C#N)c3nc(C(C)C)cs3)c2)o1 ZINC000121735049 1102445708 /nfs/dbraw/zinc/44/57/08/1102445708.db2.gz OQEPTTGKABLUAQ-CQSZACIVSA-N -1 0 352.419 4.115 20 30 FIEDRM C[C@H](Oc1cccc(C(=O)/C=C\c2cnc(C3CCC3)s2)c1)C(=O)[O-] ZINC000760263953 1102555976 /nfs/dbraw/zinc/55/59/76/1102555976.db2.gz IKDSRFYWNVUAJG-LAUAKBEESA-N -1 0 357.431 4.159 20 30 FIEDRM CCCc1c(C([O-])=C(C#N)c2nc(C)cs2)cnn1Cc1ccccc1 ZINC000048788998 1102775580 /nfs/dbraw/zinc/77/55/80/1102775580.db2.gz VZGNDNMPFFDNBI-MRXNPFEDSA-N -1 0 364.474 4.139 20 30 FIEDRM Cc1ccc(NCc2cn(CCC#N)nc2-c2ccccc2)cc1C(=O)[O-] ZINC000551059716 1102875887 /nfs/dbraw/zinc/87/58/87/1102875887.db2.gz WKLMGYJFWVLADK-UHFFFAOYSA-N -1 0 360.417 4.083 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2Nc2ccccc2)cc1F ZINC000427260608 1103387663 /nfs/dbraw/zinc/38/76/63/1103387663.db2.gz ONSXBCDQJGRGNZ-UHFFFAOYSA-N -1 0 367.405 4.242 20 30 FIEDRM Cc1cc(C#N)cnc1C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000551800907 1103649871 /nfs/dbraw/zinc/64/98/71/1103649871.db2.gz WFFJGTLMZCJIIP-UHFFFAOYSA-N -1 0 356.596 4.180 20 30 FIEDRM C[C@@H]1CCn2ncc(C([O-])=C(C#N)c3nc4cc(Cl)ccc4s3)c2C1 ZINC000519764918 1103837319 /nfs/dbraw/zinc/83/73/19/1103837319.db2.gz GJNPVFUOVNHJFU-ZYHUDNBSSA-N -1 0 370.865 4.219 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c(C)n1C1CCCCC1 ZINC000127381681 1107152917 /nfs/dbraw/zinc/15/29/17/1107152917.db2.gz QSTTYVVHZQMSOS-FQEVSTJZSA-N -1 0 369.509 4.382 20 30 FIEDRM N#CC(=C([O-])c1cccc(Oc2cnccn2)c1)c1nc2ccccc2s1 ZINC000523048200 1107302418 /nfs/dbraw/zinc/30/24/18/1107302418.db2.gz HCOJAOVKCCHFKS-HNNXBMFYSA-N -1 0 372.409 4.369 20 30 FIEDRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)s1 ZINC000323868661 1107728754 /nfs/dbraw/zinc/72/87/54/1107728754.db2.gz KYPWXSCTFANSGX-UHFFFAOYSA-N -1 0 360.382 4.056 20 30 FIEDRM N#CC(=C([O-])c1ccc(-c2ccccc2OC(F)(F)F)o1)c1ccncn1 ZINC000444455747 1107918475 /nfs/dbraw/zinc/91/84/75/1107918475.db2.gz UKZGILHBZPWWBO-LBPRGKRZSA-N -1 0 373.290 4.125 20 30 FIEDRM CCOCc1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3s2)s1 ZINC000453592261 1108650243 /nfs/dbraw/zinc/65/02/43/1108650243.db2.gz QXPLQPRICZJOIE-LLVKDONJSA-N -1 0 357.460 4.088 20 30 FIEDRM Cc1ccc(-c2nc(C([O-])=C(C#N)c3nc4c(cccc4C)[nH]3)cs2)o1 ZINC000524034883 1108763463 /nfs/dbraw/zinc/76/34/63/1108763463.db2.gz CHINGBLBZKYZNX-GFCCVEGCSA-N -1 0 362.414 4.386 20 30 FIEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000447342590 1109524605 /nfs/dbraw/zinc/52/46/05/1109524605.db2.gz VOQVAAHQBCDJPL-UHFFFAOYSA-N -1 0 372.833 4.174 20 30 FIEDRM Cc1ccc(-c2nn(C)cc2C([O-])=C(C#N)c2nc(C(C)C)cs2)o1 ZINC000528966057 1110161253 /nfs/dbraw/zinc/16/12/53/1110161253.db2.gz GJCQYAPXOLMXDS-LBPRGKRZSA-N -1 0 354.435 4.059 20 30 FIEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000538364243 1111104040 /nfs/dbraw/zinc/10/40/40/1111104040.db2.gz LGVZFESICXWQDI-UHFFFAOYSA-N -1 0 361.637 4.319 20 30 FIEDRM Cc1nc(-c2ccc(F)cc2)sc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000041562521 1111668411 /nfs/dbraw/zinc/66/84/11/1111668411.db2.gz HIVFQOAWYSYJBF-HNNXBMFYSA-N -1 0 366.421 4.155 20 30 FIEDRM COc1ccccc1N=c1[n-]nc(SCc2ccc(C#N)c(F)c2)s1 ZINC000478526652 1111803418 /nfs/dbraw/zinc/80/34/18/1111803418.db2.gz KZKWSTWXLVHXRN-UHFFFAOYSA-N -1 0 372.450 4.015 20 30 FIEDRM CC(C)(C)Oc1ccccc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000479490136 1112044712 /nfs/dbraw/zinc/04/47/12/1112044712.db2.gz RXIOCLHEUPUKMZ-UHFFFAOYSA-N -1 0 364.854 4.190 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2cc(N(C)C)c3ccccc3n2)n1 ZINC000555064392 1112643535 /nfs/dbraw/zinc/64/35/35/1112643535.db2.gz VOBNWFYQPNJYMS-AWEZNQCLSA-N -1 0 364.474 4.371 20 30 FIEDRM CC[C@@H](C)n1nc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cc1C ZINC000480933893 1112681337 /nfs/dbraw/zinc/68/13/37/1112681337.db2.gz BCCMOCZWSFHZDV-MFKMUULPSA-N -1 0 350.344 4.066 20 30 FIEDRM CC[C@H](C)n1nc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cc1C ZINC000480933886 1112681735 /nfs/dbraw/zinc/68/17/35/1112681735.db2.gz BCCMOCZWSFHZDV-GWCFXTLKSA-N -1 0 350.344 4.066 20 30 FIEDRM Cc1ccsc1-c1nc(=NC(=O)C[C@H](CC#N)c2ccccc2)s[n-]1 ZINC000480940938 1112689259 /nfs/dbraw/zinc/68/92/59/1112689259.db2.gz XCICJWGDEFPILB-AWEZNQCLSA-N -1 0 368.487 4.023 20 30 FIEDRM CCc1c(C([O-])=C(C#N)c2nc3ccccc3o2)cnn1C(CC)CC ZINC000482560476 1113295797 /nfs/dbraw/zinc/29/57/97/1113295797.db2.gz NXIIBINSDRCKJN-AWEZNQCLSA-N -1 0 350.422 4.438 20 30 FIEDRM N#CC(=C([O-])c1ccn(-c2ccccc2F)n1)c1nccc2ccccc21 ZINC000483192614 1113463914 /nfs/dbraw/zinc/46/39/14/1113463914.db2.gz DGDXOJBVBSVZKG-INIZCTEOSA-N -1 0 356.360 4.050 20 30 FIEDRM N#CC(=C([O-])c1cnc(Oc2ccccc2)cn1)c1nccc2ccccc21 ZINC000483232197 1113472295 /nfs/dbraw/zinc/47/22/95/1113472295.db2.gz GOPKLEIVGRCTDS-GOSISDBHSA-N -1 0 366.380 4.307 20 30 FIEDRM CC(C)(C)OC(=O)c1cccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1 ZINC000592399552 1115223488 /nfs/dbraw/zinc/22/34/88/1115223488.db2.gz VQSZQWMUNRPJGK-HNNXBMFYSA-N -1 0 368.458 4.466 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cnn1C(C)(C)C ZINC000592973629 1115272113 /nfs/dbraw/zinc/27/21/13/1115272113.db2.gz CSDOCBJNPBJSEE-GFCCVEGCSA-N -1 0 356.426 4.185 20 30 FIEDRM CC(=O)Nc1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)ccc1F ZINC000592974452 1115272693 /nfs/dbraw/zinc/27/26/93/1115272693.db2.gz XPHHTZVCUKNXFT-GFCCVEGCSA-N -1 0 371.368 4.023 20 30 FIEDRM Cn1cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)c(C2CCC2)n1 ZINC000574181844 1115292891 /nfs/dbraw/zinc/29/28/91/1115292891.db2.gz YAFFJEQUZLQHES-GFCCVEGCSA-N -1 0 370.865 4.441 20 30 FIEDRM Cc1sc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)nc1C(C)C ZINC000594727136 1115479042 /nfs/dbraw/zinc/47/90/42/1115479042.db2.gz YNGNZVPHLKOXIB-UHFFFAOYSA-N -1 0 363.508 4.177 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000046927377 1115548855 /nfs/dbraw/zinc/54/88/55/1115548855.db2.gz NXOKODGMTNQFCC-UHFFFAOYSA-N -1 0 358.246 4.190 20 30 FIEDRM N#Cc1ccc(CN2CC[C@@H](C(=O)[O-])c3ccccc32)c(C(F)(F)F)c1 ZINC000595877488 1115567316 /nfs/dbraw/zinc/56/73/16/1115567316.db2.gz IAIAOBYVXFBKKN-OAHLLOKOSA-N -1 0 360.335 4.156 20 30 FIEDRM CCCCS(=O)(=O)[N-]C(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC000076762113 1115670653 /nfs/dbraw/zinc/67/06/53/1115670653.db2.gz PYULRCMEIQVREW-NSHDSACASA-N -1 0 351.390 4.285 20 30 FIEDRM Cc1ccc(C)c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1C(=O)[O-] ZINC000601983872 1115676491 /nfs/dbraw/zinc/67/64/91/1115676491.db2.gz QGVWCLRARFXNDN-JTQLQIEISA-N -1 0 368.458 4.312 20 30 FIEDRM COc1cccc(C(=O)/C(=C/c2ccc([O-])c(Cl)c2)c2ncc[nH]2)c1 ZINC000171631081 1115873276 /nfs/dbraw/zinc/87/32/76/1115873276.db2.gz FIYRPRMBFPEEAL-DHDCSXOGSA-N -1 0 354.793 4.201 20 30 FIEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)Cc2cn(C)c3ccccc23)cc1 ZINC000062674736 1115959293 /nfs/dbraw/zinc/95/92/93/1115959293.db2.gz DBEOGOILGDRKNX-UHFFFAOYSA-N -1 0 370.474 4.019 20 30 FIEDRM Cc1cc(-c2csc([N-]S(=O)(=O)c3ccc(C#N)cc3C)n2)c(C)o1 ZINC000172674975 1115971701 /nfs/dbraw/zinc/97/17/01/1115971701.db2.gz RJJBYUNCWYYAHD-UHFFFAOYSA-N -1 0 373.459 4.001 20 30 FIEDRM CCOc1ccc(NC(=O)C/N=C/c2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000063427726 1116064046 /nfs/dbraw/zinc/06/40/46/1116064046.db2.gz NKXMBUZXRIERMW-AWQFTUOYSA-N -1 0 367.232 4.155 20 30 FIEDRM CC(C)(C)c1ccc(-c2ccc(C([O-])=C(C#N)C(=O)N3CCCC3)o2)cc1 ZINC000173936257 1116098865 /nfs/dbraw/zinc/09/88/65/1116098865.db2.gz SMGPZLABAPZTGE-KRWDZBQOSA-N -1 0 364.445 4.189 20 30 FIEDRM N#CC(=C([O-])c1cnc(-c2ccncc2)s1)c1ccc(C(F)(F)F)cn1 ZINC000534927636 1116253224 /nfs/dbraw/zinc/25/32/24/1116253224.db2.gz FUTLSZWYASVEHY-GFCCVEGCSA-N -1 0 374.347 4.109 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)cc1[O-] ZINC000443227728 1116391339 /nfs/dbraw/zinc/39/13/39/1116391339.db2.gz VNRPMSVYBHJSTI-UHFFFAOYSA-N -1 0 355.353 4.180 20 30 FIEDRM CC(C)Nc1ccc(Br)cc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000443319571 1118005400 /nfs/dbraw/zinc/00/54/00/1118005400.db2.gz JCQXGASEDINYEC-UHFFFAOYSA-N -1 0 374.238 4.099 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)cc1[O-] ZINC000443338136 1118058762 /nfs/dbraw/zinc/05/87/62/1118058762.db2.gz YTRWUYVSECEOBN-UHFFFAOYSA-N -1 0 365.776 4.357 20 30 FIEDRM COc1ccc2occ(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)c2c1 ZINC000464414056 1118548285 /nfs/dbraw/zinc/54/82/85/1118548285.db2.gz ZNNOAKJDYTWYTQ-ZDUSSCGKSA-N -1 0 360.291 4.345 20 30 FIEDRM N#CC(=C([O-])c1ncccc1C(F)(F)F)c1cc(C(F)(F)F)ccn1 ZINC000464465737 1118572026 /nfs/dbraw/zinc/57/20/26/1118572026.db2.gz VILFPVLZSVRNJC-VIFPVBQESA-N -1 0 359.229 4.004 20 30 FIEDRM CC[C@@H](C)n1nc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cc1C ZINC000464466918 1118572572 /nfs/dbraw/zinc/57/25/72/1118572572.db2.gz MIFNNNSSLHBDSV-MFKMUULPSA-N -1 0 350.344 4.066 20 30 FIEDRM CCC(=O)c1ccc(OCCCCC(=O)Nc2cc(C#N)ccc2[O-])cc1 ZINC000176402391 1119003817 /nfs/dbraw/zinc/00/38/17/1119003817.db2.gz FGUJPWDWSCJGMI-UHFFFAOYSA-N -1 0 366.417 4.044 20 30 FIEDRM C[C@H](Oc1cccc(C(=O)/C=C\c2ccc(Cl)nc2Cl)c1)C(=O)[O-] ZINC000761479187 1119168448 /nfs/dbraw/zinc/16/84/48/1119168448.db2.gz XVUONTJLHBCLDB-BXKUYDPTSA-N -1 0 366.200 4.136 20 30 FIEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1nc3ccc(F)cc3s1)CC2 ZINC000761478664 1119169193 /nfs/dbraw/zinc/16/91/93/1119169193.db2.gz VDZWAECJEDFJFE-TWGQIWQCSA-N -1 0 357.362 4.248 20 30 FIEDRM N#CC(=C([O-])c1ccn(C2CCCC2)n1)c1nc2ccccc2n1C(F)F ZINC000177694137 1119346780 /nfs/dbraw/zinc/34/67/80/1119346780.db2.gz MQQOVEASPQFASY-CYBMUJFWSA-N -1 0 369.375 4.233 20 30 FIEDRM C=C(C)C[C@H](C)C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000185989845 1119699436 /nfs/dbraw/zinc/69/94/36/1119699436.db2.gz UXUYRTMDOURGSJ-HNNXBMFYSA-N -1 0 358.463 4.028 20 30 FIEDRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccccc1SC[C@@H](C)C#N ZINC000186988971 1119759528 /nfs/dbraw/zinc/75/95/28/1119759528.db2.gz VHVLIKJCBRWVGD-LBPRGKRZSA-N -1 0 364.467 4.187 20 30 FIEDRM N#Cc1c(F)ccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)c1Cl ZINC000761744483 1120314101 /nfs/dbraw/zinc/31/41/01/1120314101.db2.gz MPICIDSWVJOJIG-UHFFFAOYSA-N -1 0 352.152 4.148 20 30 FIEDRM COc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1OCC(F)(F)F ZINC000914703687 1120480170 /nfs/dbraw/zinc/48/01/70/1120480170.db2.gz WZVZWTPXVDJVDM-UHFFFAOYSA-N -1 0 370.283 4.001 20 30 FIEDRM CCc1sc(C([O-])=C(C#N)c2nc(C)cs2)cc1Br ZINC000495207423 1120545326 /nfs/dbraw/zinc/54/53/26/1120545326.db2.gz XGNYVCLPAYURJJ-MRVPVSSYSA-N -1 0 355.282 4.328 20 30 FIEDRM N#CC(=C([O-])C1=Cc2cc(F)ccc2OC1)c1nc2ccccc2s1 ZINC000762019244 1120649482 /nfs/dbraw/zinc/64/94/82/1120649482.db2.gz QJNZKHSISQDBTO-CQSZACIVSA-N -1 0 350.374 4.088 20 30 FIEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1cccc([C@@H]2CCOC2)c1 ZINC000762019264 1120652894 /nfs/dbraw/zinc/65/28/94/1120652894.db2.gz RTNZCUXYFNOTFF-IEBWSBKVSA-N -1 0 372.424 4.186 20 30 FIEDRM COc1cccc([C@H](C)C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)c1 ZINC000193597996 1120977501 /nfs/dbraw/zinc/97/75/01/1120977501.db2.gz DMMYUKHNSYMXCU-SCLBCKFNSA-N -1 0 360.413 4.180 20 30 FIEDRM CO[C@H](C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1Cl ZINC000763098789 1121115003 /nfs/dbraw/zinc/11/50/03/1121115003.db2.gz ZJELDIQFEXGWFP-XXZGICNZSA-N -1 0 369.204 4.414 20 30 FIEDRM Cc1sc2ncnc(N=NC3CCCc4oc(C(=O)[O-])c(C)c43)c2c1C ZINC000915942524 1121355980 /nfs/dbraw/zinc/35/59/80/1121355980.db2.gz NTQVLEPNDHVBHE-UHFFFAOYSA-N -1 0 370.434 4.060 20 30 FIEDRM CCCOc1ccc([C@H](C)/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1OC ZINC000915981771 1121362413 /nfs/dbraw/zinc/36/24/13/1121362413.db2.gz GWIKFNLEJSJUJA-DZUMZMOTSA-N -1 0 358.394 4.278 20 30 FIEDRM CC(C)(C)c1n[nH]cc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000496408448 1121434487 /nfs/dbraw/zinc/43/44/87/1121434487.db2.gz WSJMTRGSEDIAMN-SNVBAGLBSA-N -1 0 358.854 4.460 20 30 FIEDRM CC(=NNc1cccc(C(F)(F)F)c1)c1cccc(OCC(=O)[O-])c1 ZINC000916260167 1121455082 /nfs/dbraw/zinc/45/50/82/1121455082.db2.gz QXJXUKXFSLWMLC-UHFFFAOYSA-N -1 0 352.312 4.005 20 30 FIEDRM Cc1nnc(NN=Cc2c3ccccc3c(Cl)c3ccccc23)[n-]c1=O ZINC000916282985 1121457298 /nfs/dbraw/zinc/45/72/98/1121457298.db2.gz XCDURTRILXWGOX-UHFFFAOYSA-N -1 0 363.808 4.291 20 30 FIEDRM CCCCCOc1ccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)cc1 ZINC000916303650 1121467526 /nfs/dbraw/zinc/46/75/26/1121467526.db2.gz JPFPOBPBDCTKOD-UHFFFAOYSA-N -1 0 358.389 4.037 20 30 FIEDRM CCCCCCOc1ccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)cc1 ZINC000916305315 1121467966 /nfs/dbraw/zinc/46/79/66/1121467966.db2.gz NSKOZONDBZOVOG-UHFFFAOYSA-N -1 0 372.416 4.427 20 30 FIEDRM O=[N+]([O-])c1cc(C=NN(Cc2ccccc2)Cc2ccccc2)ccc1[O-] ZINC000916367631 1121482517 /nfs/dbraw/zinc/48/25/17/1121482517.db2.gz JCCJTDIOKBATCW-UHFFFAOYSA-N -1 0 361.401 4.337 20 30 FIEDRM Cc1nc(-c2cc(C(C)N=Nc3ccc(C(=O)[O-])cn3)cs2)cs1 ZINC000763371563 1121501812 /nfs/dbraw/zinc/50/18/12/1121501812.db2.gz DVDKRDMBTWIYGY-UHFFFAOYSA-N -1 0 358.448 4.109 20 30 FIEDRM N#CC(C(=O)c1ccc(Cl)cc1)=C([O-])c1sccc1Br ZINC000916871496 1121903242 /nfs/dbraw/zinc/90/32/42/1121903242.db2.gz UQZPYRNYFLTWHV-JTQLQIEISA-N -1 0 368.639 4.369 20 30 FIEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000916877641 1121907212 /nfs/dbraw/zinc/90/72/12/1121907212.db2.gz IMQUQLSMVBEDKV-GOSISDBHSA-N -1 0 365.477 4.066 20 30 FIEDRM CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)c2cccc(F)c2)cc1 ZINC000091127391 1122161422 /nfs/dbraw/zinc/16/14/22/1122161422.db2.gz RATQXWYGBXQBJW-ZDUSSCGKSA-N -1 0 365.426 4.062 20 30 FIEDRM O=[N+]([O-])c1cc(Cl)cc(C=Nc2ccc(OC(F)F)c(F)c2)c1[O-] ZINC000917556957 1122360859 /nfs/dbraw/zinc/36/08/59/1122360859.db2.gz SFQAXALBTOUGRW-UHFFFAOYSA-N -1 0 360.675 4.445 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2csc(Cc3ccc(C)cc3)n2)n1 ZINC000130902991 1122950528 /nfs/dbraw/zinc/95/05/28/1122950528.db2.gz FQWXJUDYXXSGAT-AWEZNQCLSA-N -1 0 353.472 4.297 20 30 FIEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\CC2(c3ccc(Cl)cc3)CCOCC2)c1 ZINC000920177234 1123404233 /nfs/dbraw/zinc/40/42/33/1123404233.db2.gz DQGYUMJBPQQMNU-MTJSOVHGSA-N -1 0 374.824 4.121 20 30 FIEDRM C[C@H](Cc1cccc(Br)c1)/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000920479522 1123467001 /nfs/dbraw/zinc/46/70/01/1123467001.db2.gz PILXZUWJLNUPRS-VDCVXVNISA-N -1 0 363.211 4.113 20 30 FIEDRM C=CCc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)cc(OC)c1OC ZINC000078735773 1123805193 /nfs/dbraw/zinc/80/51/93/1123805193.db2.gz MMMOQLFCGGEODP-HNNXBMFYSA-N -1 0 362.385 4.064 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccn(-c3ccc(F)cc3)n2)n1 ZINC000080452945 1123966345 /nfs/dbraw/zinc/96/63/45/1123966345.db2.gz SYMVDCODYOLYSG-CQSZACIVSA-N -1 0 354.410 4.081 20 30 FIEDRM N#CC(=C([O-])C=Cc1ccc(Cl)nc1)c1nc(-c2ccncc2)cs1 ZINC000179808233 1124108831 /nfs/dbraw/zinc/10/88/31/1124108831.db2.gz HXHCACMRUGFKFO-XYHHVPKHSA-N -1 0 366.833 4.143 20 30 FIEDRM O=C([O-])CCCOc1ccc(C(=O)/C=C/c2cccc3cnccc23)cc1 ZINC000180925813 1124483773 /nfs/dbraw/zinc/48/37/73/1124483773.db2.gz YTVBYORIAFFPIZ-DHZHZOJOSA-N -1 0 361.397 4.375 20 30 FIEDRM C[C@H](Cc1cccc(F)c1)C(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000069283798 1124719491 /nfs/dbraw/zinc/71/94/91/1124719491.db2.gz KCQJGGKWNWUHOS-LLVKDONJSA-N -1 0 355.818 4.003 20 30 FIEDRM Cc1ccc2nc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)ccc2c1 ZINC000499457503 1124726335 /nfs/dbraw/zinc/72/63/35/1124726335.db2.gz UAPPPFJKQFZTQE-CQSZACIVSA-N -1 0 355.319 4.447 20 30 FIEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ncc(C2CCCCC2)s1 ZINC000542928977 1124882665 /nfs/dbraw/zinc/88/26/65/1124882665.db2.gz YEAZRWYURVJSPK-UHFFFAOYSA-N -1 0 361.492 4.172 20 30 FIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)c1 ZINC000499505385 1124939735 /nfs/dbraw/zinc/93/97/35/1124939735.db2.gz NAOBXKHQPKHGLT-UHFFFAOYSA-N -1 0 350.802 4.029 20 30 FIEDRM CCCc1c(C([O-])=C(C#N)c2nc3ccccc3o2)cnn1-c1ccccc1 ZINC000181501175 1124976445 /nfs/dbraw/zinc/97/64/45/1124976445.db2.gz NGIWXYMMOKBOQQ-MRXNPFEDSA-N -1 0 370.412 4.456 20 30 FIEDRM N#CC(=C([O-])c1cnc(OCC2CC2)c(Cl)c1)c1nc2ccccc2o1 ZINC000181501342 1124976640 /nfs/dbraw/zinc/97/66/40/1124976640.db2.gz YQZWTHSKHYQIBO-ZDUSSCGKSA-N -1 0 367.792 4.155 20 30 FIEDRM CC(C)Cn1cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cn1 ZINC000181522511 1124993972 /nfs/dbraw/zinc/99/39/72/1124993972.db2.gz MIALQVBBNKQZBL-CYBMUJFWSA-N -1 0 358.854 4.292 20 30 FIEDRM CCCCS(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000070030936 1125243716 /nfs/dbraw/zinc/24/37/16/1125243716.db2.gz YAJXMJHSUJZHNZ-QWRGUYRKSA-N -1 0 350.267 4.183 20 30 FIEDRM O=C([N-]S(=O)(=O)c1ccccc1)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000070028848 1125244104 /nfs/dbraw/zinc/24/41/04/1125244104.db2.gz RBQVDNAFTYJWFG-CHWSQXEVSA-N -1 0 370.257 4.442 20 30 FIEDRM Cc1nsc([N-]C(=O)c2cc(-c3cccc(Cl)c3F)no2)c1C#N ZINC001128319548 1125288502 /nfs/dbraw/zinc/28/85/02/1125288502.db2.gz KYETYESQMPWQNQ-UHFFFAOYSA-N -1 0 362.773 4.023 20 30 FIEDRM Cc1[n-]n(-c2ccc(Br)cc2C(F)(F)F)c(=O)c1CCC#N ZINC000601939806 567881408 /nfs/dbraw/zinc/88/14/08/567881408.db2.gz NHOJFAGWRHNJQF-SNVBAGLBSA-N -1 0 374.160 4.110 20 30 FIEDRM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000601975167 567893659 /nfs/dbraw/zinc/89/36/59/567893659.db2.gz HPDFYKWIGBRORC-SNVBAGLBSA-N -1 0 372.418 4.412 20 30 FIEDRM Cc1ccc(-c2cc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)n[nH]2)c(C)c1 ZINC000188649138 568045045 /nfs/dbraw/zinc/04/50/45/568045045.db2.gz WUFRXMUNZGGBLW-HNNXBMFYSA-N -1 0 355.401 4.060 20 30 FIEDRM CSc1cccc(C)c1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000187048835 1079896522 /nfs/dbraw/zinc/89/65/22/1079896522.db2.gz NBWIJLIBQFPXME-UHFFFAOYSA-N -1 0 352.868 4.043 20 30 FIEDRM COc1ccc(/C=C(/CC(=O)[O-])c2nc3ccccc3s2)cc1C#N ZINC000610218368 1080005118 /nfs/dbraw/zinc/00/51/18/1080005118.db2.gz GHFUWXYZLWIKFM-JYRVWZFOSA-N -1 0 350.399 4.192 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])C=Cc2cc(Br)ccc2F)n1 ZINC000254973184 1080126474 /nfs/dbraw/zinc/12/64/74/1080126474.db2.gz GPFBBHPXHVHNOQ-PZBKNZOISA-N -1 0 365.227 4.243 20 30 FIEDRM O=C1NCCCN1c1cccc(N=Cc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000254987902 1080152290 /nfs/dbraw/zinc/15/22/90/1080152290.db2.gz HMYQQLNTEOEMEB-UHFFFAOYSA-N -1 0 364.232 4.369 20 30 FIEDRM CCC(=O)Nc1cccc(C([O-])=C(C#N)C(=O)c2c(C)[nH]c3ccccc32)c1 ZINC000121064184 1081338403 /nfs/dbraw/zinc/33/84/03/1081338403.db2.gz SJRRDSSMOZLBPE-KRWDZBQOSA-N -1 0 373.412 4.030 20 30 FIEDRM Cn1ncc(C([O-])=C(C#N)c2nc3ccccc3s2)c1Cc1ccccc1 ZINC000683688553 1081382311 /nfs/dbraw/zinc/38/23/11/1081382311.db2.gz BIVXCFRYJPYBPA-HNNXBMFYSA-N -1 0 372.453 4.111 20 30 FIEDRM CCOc1cccc2cc(C(=O)/C=C\c3ccc([N+](=O)[O-])c([O-])c3)oc21 ZINC000748148288 1081612667 /nfs/dbraw/zinc/61/26/67/1081612667.db2.gz RWURAUMLBGGBQG-CLFYSBASSA-N -1 0 353.330 4.341 20 30 FIEDRM O=C([N-]S(=O)(=O)c1cccc(Cl)c1)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000050204784 1081921181 /nfs/dbraw/zinc/92/11/81/1081921181.db2.gz IARMVOZEHHOFSW-LSDHHAIUSA-N -1 0 370.257 4.442 20 30 FIEDRM COc1cc(C(=O)/C=C/c2ccc(OCCC(=O)[O-])cc2)ccc1SC ZINC000050234559 1081951944 /nfs/dbraw/zinc/95/19/44/1081951944.db2.gz KFLKPXMWNOHSHN-WEVVVXLNSA-N -1 0 372.442 4.167 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2c[nH]nc2-c2ccc(F)cc2)s1 ZINC000430592368 1082541306 /nfs/dbraw/zinc/54/13/06/1082541306.db2.gz GTNZFWGTPIAQNE-CYBMUJFWSA-N -1 0 368.437 4.460 20 30 FIEDRM O=[N+]([O-])c1cc(Cl)cc(C=NOc2ccccc2C(F)(F)F)c1[O-] ZINC000754709615 1082695479 /nfs/dbraw/zinc/69/54/79/1082695479.db2.gz LTMRVJMXNWSMCP-UHFFFAOYSA-N -1 0 360.675 4.386 20 30 FIEDRM Cc1ccc(-c2cc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)n[nH]2)o1 ZINC000430627137 1082755769 /nfs/dbraw/zinc/75/57/69/1082755769.db2.gz SVMDWHOWLSYKAG-LLVKDONJSA-N -1 0 354.435 4.222 20 30 FIEDRM CCc1cccc2c(CC(=O)[N-]S(=O)(=O)[C@H](C)c3ccccc3)c[nH]c21 ZINC000077880519 1082797449 /nfs/dbraw/zinc/79/74/49/1082797449.db2.gz DNUXONVUXJZCDH-CQSZACIVSA-N -1 0 370.474 4.320 20 30 FIEDRM CCOc1ccccc1CCC(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1 ZINC000077880627 1082797961 /nfs/dbraw/zinc/79/79/61/1082797961.db2.gz SIPJYAQNIAQNBP-OAHLLOKOSA-N -1 0 361.463 4.065 20 30 FIEDRM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2SC[C@H](C)C#N)s1 ZINC000431170255 1083370286 /nfs/dbraw/zinc/37/02/86/1083370286.db2.gz VLRNMBDHSBMVKC-LLVKDONJSA-N -1 0 366.533 4.418 20 30 FIEDRM CON=Cc1ccc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cc1 ZINC000255731809 1083455061 /nfs/dbraw/zinc/45/50/61/1083455061.db2.gz CZKRIPHOKMTFLR-CQSZACIVSA-N -1 0 369.833 4.420 20 30 FIEDRM COCc1nc2cc(N=Cc3cc(Br)ccc3O)ccc2o1 ZINC000255827475 1083554554 /nfs/dbraw/zinc/55/45/54/1083554554.db2.gz DZDLTLHQOWXIQU-UHFFFAOYSA-N -1 0 361.195 4.193 20 30 FIEDRM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cnc(C3CC3)o2)cc1 ZINC000892501148 1083870693 /nfs/dbraw/zinc/87/06/93/1083870693.db2.gz KNRHVLSONVXCFJ-LRDDRELGSA-N -1 0 351.406 4.027 20 30 FIEDRM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cnc(C3CC3)o2)cc1 ZINC000892501150 1083872429 /nfs/dbraw/zinc/87/24/29/1083872429.db2.gz KNRHVLSONVXCFJ-WBMJQRKESA-N -1 0 351.406 4.027 20 30 FIEDRM Cc1cccc(OCCCCC(=O)[N-]S(=O)(=O)Cc2ccccc2)c1 ZINC000066003860 1083945406 /nfs/dbraw/zinc/94/54/06/1083945406.db2.gz VBPZCKVLGQCUCT-UHFFFAOYSA-N -1 0 361.463 4.031 20 30 FIEDRM N#CC(=C([O-])c1ccnc2ccncc21)c1nc(-c2ccccc2)cs1 ZINC000570324382 1084026819 /nfs/dbraw/zinc/02/68/19/1084026819.db2.gz LTEIEIIFVDBUBP-OAHLLOKOSA-N -1 0 356.410 4.243 20 30 FIEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1sc2cccc(F)c2c1Cl ZINC000892530504 1084433853 /nfs/dbraw/zinc/43/38/53/1084433853.db2.gz PTMMUGBZCGGGIT-JTQLQIEISA-N -1 0 364.829 4.075 20 30 FIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c1 ZINC000321133376 1084700399 /nfs/dbraw/zinc/70/03/99/1084700399.db2.gz JJQHQEDCBRQOAK-UHFFFAOYSA-N -1 0 360.744 4.031 20 30 FIEDRM Cc1c(Br)cccc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000174014768 1084720354 /nfs/dbraw/zinc/72/03/54/1084720354.db2.gz GGMWMGRACLGFHA-GFCCVEGCSA-N -1 0 355.191 4.389 20 30 FIEDRM C[S@@](=O)c1ccc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cc1 ZINC000119987893 1084767330 /nfs/dbraw/zinc/76/73/30/1084767330.db2.gz PBQLOLCCZIZWFD-RZFZLAGVSA-N -1 0 374.874 4.177 20 30 FIEDRM Cc1nc(C2CC2)ccc1C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000892607821 1085020857 /nfs/dbraw/zinc/02/08/57/1085020857.db2.gz ZQFRWPMJJODDGW-MRXNPFEDSA-N -1 0 360.442 4.276 20 30 FIEDRM COc1c(Br)ccc(Nc2ccc(C(=O)[O-])c(C)c2)c1C#N ZINC001211663588 1085322974 /nfs/dbraw/zinc/32/29/74/1085322974.db2.gz QZHGHCFEHUEAPQ-UHFFFAOYSA-N -1 0 361.195 4.080 20 30 FIEDRM C=CCCC1(CNC(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)CCCC1 ZINC000661532302 1085632997 /nfs/dbraw/zinc/63/29/97/1085632997.db2.gz UMAUDXSLGUSBPR-UHFFFAOYSA-N -1 0 374.510 4.065 20 30 FIEDRM O=C([O-])c1cccc(/C=C\C(=O)c2c(Cl)nc3ccccn32)c1Cl ZINC000588559675 1085947641 /nfs/dbraw/zinc/94/76/41/1085947641.db2.gz WOUJMZFKOUHATE-FPLPWBNLSA-N -1 0 361.184 4.235 20 30 FIEDRM O=C([O-])c1cccc(C#Cc2cccc(NC(=O)CCC(F)(F)F)c2)c1 ZINC000238125492 1086128608 /nfs/dbraw/zinc/12/86/08/1086128608.db2.gz CGRJNWDQHHYYLW-UHFFFAOYSA-N -1 0 361.319 4.066 20 30 FIEDRM Cc1cc(-c2nc(C([O-])=C(C#N)c3nc(C(C)C)cs3)co2)ccn1 ZINC000583066474 1086128789 /nfs/dbraw/zinc/12/87/89/1086128789.db2.gz FYTXAXAJUPRPPW-CYBMUJFWSA-N -1 0 352.419 4.115 20 30 FIEDRM Cc1ccc(/C=C/C(=O)c2ccc(OCCCC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000023164006 1086149987 /nfs/dbraw/zinc/14/99/87/1086149987.db2.gz ISCJWSISTCOFJS-IZZDOVSWSA-N -1 0 369.373 4.043 20 30 FIEDRM CC(C)(C)c1ncc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cn1 ZINC000685148223 1086748402 /nfs/dbraw/zinc/74/84/02/1086748402.db2.gz PYIWGNOCBNFPTP-LBPRGKRZSA-N -1 0 354.410 4.013 20 30 FIEDRM N#CC(=C([O-])c1cncc(F)c1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000151637684 1087182691 /nfs/dbraw/zinc/18/26/91/1087182691.db2.gz WXDXSLUPECBGDU-CQSZACIVSA-N -1 0 357.797 4.488 20 30 FIEDRM COC(=O)Nc1cc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])ccc1F ZINC000255591435 1087354720 /nfs/dbraw/zinc/35/47/20/1087354720.db2.gz XWTHYRUKSBRHNT-UHFFFAOYSA-N -1 0 367.720 4.022 20 30 FIEDRM Cn1cc(C([O-])=C(C#N)c2nc3ccccc3s2)c(-c2ccccc2)n1 ZINC000091437909 1087429229 /nfs/dbraw/zinc/42/92/29/1087429229.db2.gz XLMCMXKHUJEZQF-CQSZACIVSA-N -1 0 358.426 4.187 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCCCOc2cccc(C)c2)cc1 ZINC000065763141 1087735637 /nfs/dbraw/zinc/73/56/37/1087735637.db2.gz WCZISRRESQDZOG-UHFFFAOYSA-N -1 0 361.463 4.198 20 30 FIEDRM N#CC(=C([O-])c1ccc(Br)s1)c1nc(C2CC2)cs1 ZINC000647375051 1087794495 /nfs/dbraw/zinc/79/44/95/1087794495.db2.gz QYGYQXXEDPCELB-MRVPVSSYSA-N -1 0 353.266 4.335 20 30 FIEDRM CN(C(=O)c1ccc(C#N)c([O-])c1)c1ccc(OCc2ccccc2)cc1 ZINC000189268792 1088459724 /nfs/dbraw/zinc/45/97/24/1088459724.db2.gz AYJJDZSTIDAJBU-UHFFFAOYSA-N -1 0 358.397 4.119 20 30 FIEDRM C=CCC[C@@H](NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000434931281 1089147181 /nfs/dbraw/zinc/14/71/81/1089147181.db2.gz NAPUKXAANXGYFB-DENIHFKCSA-N -1 0 351.446 4.243 20 30 FIEDRM N#CC(=C([O-])c1ccccc1Oc1ccncc1)c1cnc2ccccc2n1 ZINC000549190071 1089178567 /nfs/dbraw/zinc/17/85/67/1089178567.db2.gz JJZIYQFQUJDSSO-QGZVFWFLSA-N -1 0 366.380 4.307 20 30 FIEDRM C[C@H](Oc1cccc(/C=C\C(=O)c2ccccc2OC(F)F)c1)C(=O)[O-] ZINC000728695028 1089234926 /nfs/dbraw/zinc/23/49/26/1089234926.db2.gz QAJMECCRJFWNFB-PRDAAYKISA-N -1 0 362.328 4.036 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2Nc2ccc(F)cc2)s1 ZINC000435473864 1089689533 /nfs/dbraw/zinc/68/95/33/1089689533.db2.gz RZNRRFYIEPDVJH-UHFFFAOYSA-N -1 0 373.434 4.303 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2Oc2ccccc2)s1 ZINC000435485242 1089703200 /nfs/dbraw/zinc/70/32/00/1089703200.db2.gz URWCUZIMEYOVJQ-UHFFFAOYSA-N -1 0 374.418 4.352 20 30 FIEDRM CC(=O)c1ncc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)C)C3)s1 ZINC000415741047 1089885428 /nfs/dbraw/zinc/88/54/28/1089885428.db2.gz KBHIMKRXFIACMD-LLVKDONJSA-N -1 0 373.503 4.292 20 30 FIEDRM Cc1nn(-c2ccc(F)cc2)c(C)c1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000041544141 1090240665 /nfs/dbraw/zinc/24/06/65/1090240665.db2.gz HDLPCLBODSVUSG-MRXNPFEDSA-N -1 0 374.375 4.260 20 30 FIEDRM Cc1oc2c(ccc([O-])c2CN(C)[C@H](C)CC#N)c(=O)c1-c1ccccc1 ZINC000728901960 1091838141 /nfs/dbraw/zinc/83/81/41/1091838141.db2.gz FXMRVXMISAUXAM-CQSZACIVSA-N -1 0 362.429 4.208 20 30 FIEDRM Cc1nc(-c2ccc(C([O-])=C(C#N)c3nc4[nH]ccc(C)c-4n3)cc2)cs1 ZINC000442530829 1092670979 /nfs/dbraw/zinc/67/09/79/1092670979.db2.gz QRDMOOJFRHDKFE-HNNXBMFYSA-N -1 0 373.441 4.188 20 30 FIEDRM CCO[C@H](C)c1ncc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)s1 ZINC000442614627 1092689724 /nfs/dbraw/zinc/68/97/24/1092689724.db2.gz HTWPDOWHWZUBLR-MWLCHTKSSA-N -1 0 369.368 4.144 20 30 FIEDRM Cc1nc(CSc2ccccc2C([O-])=C(C#N)c2ccncn2)cs1 ZINC000544814802 1092736702 /nfs/dbraw/zinc/73/67/02/1092736702.db2.gz IZGNAIXHLARKJD-HNNXBMFYSA-N -1 0 366.471 4.024 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)cc1[O-] ZINC000442856445 1092828740 /nfs/dbraw/zinc/82/87/40/1092828740.db2.gz LJUCHPHFLMOBAQ-UHFFFAOYSA-N -1 0 362.360 4.234 20 30 FIEDRM C=CCCc1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000443415075 1093110812 /nfs/dbraw/zinc/11/08/12/1093110812.db2.gz DSRHSZZLRJDVSX-UHFFFAOYSA-N -1 0 351.855 4.268 20 30 FIEDRM O=C(/C=C/c1cc([O-])ccc1[N+](=O)[O-])c1cc(Br)ccc1F ZINC000178724949 1093253498 /nfs/dbraw/zinc/25/34/98/1093253498.db2.gz AYMWVYCQHJAKEV-LZCJLJQNSA-N -1 0 366.142 4.098 20 30 FIEDRM CCn1cc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cn1 ZINC000114618337 1093659851 /nfs/dbraw/zinc/65/98/51/1093659851.db2.gz KKMJNLHYSJYMHO-AWEZNQCLSA-N -1 0 356.838 4.170 20 30 FIEDRM CSc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)ccc1NC(C)=O ZINC000474436385 1093783663 /nfs/dbraw/zinc/78/36/63/1093783663.db2.gz WRLLDQNWUKNKDK-CYBMUJFWSA-N -1 0 373.503 4.437 20 30 FIEDRM N#Cc1cc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)ccc1Cl ZINC000010514801 1093874607 /nfs/dbraw/zinc/87/46/07/1093874607.db2.gz RYICYELCUCTOSZ-UHFFFAOYSA-N -1 0 360.744 4.031 20 30 FIEDRM C[C@@H](Oc1cccc(C(=O)/C=C\c2ccc3c(c2)CC(C)(C)O3)c1)C(=O)[O-] ZINC000729151197 1093935573 /nfs/dbraw/zinc/93/55/73/1093935573.db2.gz SWCVOCJIBIVADX-IUCKJTJTSA-N -1 0 366.413 4.148 20 30 FIEDRM C[C@H](Oc1cccc(C(=O)/C=C\c2ccc3c(c2)CC(C)(C)O3)c1)C(=O)[O-] ZINC000729151199 1093935668 /nfs/dbraw/zinc/93/56/68/1093935668.db2.gz SWCVOCJIBIVADX-LEJCZOIISA-N -1 0 366.413 4.148 20 30 FIEDRM N#Cc1cccc(CSc2n[n-]c(=NCc3ccc(F)cc3)s2)c1F ZINC000513257565 1094040785 /nfs/dbraw/zinc/04/07/85/1094040785.db2.gz RWJLCZMXKWJDGE-UHFFFAOYSA-N -1 0 374.441 4.014 20 30 FIEDRM Cc1c(C#N)cccc1C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000513605629 1094226765 /nfs/dbraw/zinc/22/67/65/1094226765.db2.gz WHBVXKXHFYXJFI-UHFFFAOYSA-N -1 0 365.614 4.241 20 30 FIEDRM N#CC(=C([O-])c1cc2cc([N+](=O)[O-])ccc2o1)c1nc2ccccc2s1 ZINC000513667759 1094265091 /nfs/dbraw/zinc/26/50/91/1094265091.db2.gz WFGZDQSHBNVTIK-LBPRGKRZSA-N -1 0 363.354 4.441 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2sc(Cc3ccc(F)cc3)nc2C)n1 ZINC000041515197 1094638922 /nfs/dbraw/zinc/63/89/22/1094638922.db2.gz ZXAUQJXTHAJQHK-CQSZACIVSA-N -1 0 371.462 4.436 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2OCc2c(C)noc2C)n1 ZINC000041516571 1094642691 /nfs/dbraw/zinc/64/26/91/1094642691.db2.gz YLFPLEDGKGZRHS-HNNXBMFYSA-N -1 0 367.430 4.125 20 30 FIEDRM CCc1c(C([O-])=C(C#N)c2nc3ccccc3o2)cnn1-c1ccccc1 ZINC000041540126 1094646733 /nfs/dbraw/zinc/64/67/33/1094646733.db2.gz RQXSFSWWMFIFPL-OAHLLOKOSA-N -1 0 356.385 4.066 20 30 FIEDRM CS(=O)(=O)Nc1ccccc1NC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000329038471 1094721179 /nfs/dbraw/zinc/72/11/79/1094721179.db2.gz ZNERUJQCMQQYMB-RBSFLKMASA-N -1 0 350.484 4.253 20 30 FIEDRM Cc1nc(CC2CC2)sc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000475037947 1095253755 /nfs/dbraw/zinc/25/37/55/1095253755.db2.gz IHNGBZBVXAWOIW-GFCCVEGCSA-N -1 0 365.380 4.308 20 30 FIEDRM C=CCCc1ccccc1NC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000504260135 1096726973 /nfs/dbraw/zinc/72/69/73/1096726973.db2.gz AXZXTDHFRMKZRZ-UHFFFAOYSA-N -1 0 351.381 4.088 20 30 FIEDRM CN(Cc1cccc(C#N)c1)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436756137 1099292290 /nfs/dbraw/zinc/29/22/90/1099292290.db2.gz PLJLOZQGOBLUNO-UHFFFAOYSA-N -1 0 350.805 4.343 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc3sccc3s2)n1 ZINC000516347019 1099398041 /nfs/dbraw/zinc/39/80/41/1099398041.db2.gz WSQDZJNJRQJITJ-QMMMGPOBSA-N -1 0 362.457 4.086 20 30 FIEDRM CCCCCCCCCC(=O)[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000729805789 1099691053 /nfs/dbraw/zinc/69/10/53/1099691053.db2.gz MBYPONAJMFCCJP-UHFFFAOYSA-N -1 0 362.495 4.180 20 30 FIEDRM CC[C@H](C)n1ncc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c1C ZINC000516830996 1099839040 /nfs/dbraw/zinc/83/90/40/1099839040.db2.gz CMUFANZYCCDIDQ-WFASDCNBSA-N -1 0 365.462 4.171 20 30 FIEDRM CC[C@H](C)n1ncc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c1C ZINC000516830994 1099839471 /nfs/dbraw/zinc/83/94/71/1099839471.db2.gz CMUFANZYCCDIDQ-SWLSCSKDSA-N -1 0 365.462 4.171 20 30 FIEDRM CCOc1cc(/C=C\c2nc(C(=O)[O-])ccc2C#N)ccc1OCC(C)C ZINC000509696881 1100070276 /nfs/dbraw/zinc/07/02/76/1100070276.db2.gz QQVLGYOYLXQPII-YVMONPNESA-N -1 0 366.417 4.255 20 30 FIEDRM CC(C)(C)c1nc2ccc([N-]S(=O)(=O)c3ccccc3C#N)cc2s1 ZINC000438770435 1100907550 /nfs/dbraw/zinc/90/75/50/1100907550.db2.gz DWBAXHVYTBTWIR-UHFFFAOYSA-N -1 0 371.487 4.266 20 30 FIEDRM Cc1ccncc1C([O-])=C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000426182111 1100957674 /nfs/dbraw/zinc/95/76/74/1100957674.db2.gz GHJJCWGDXFOCHT-NSHDSACASA-N -1 0 355.369 4.282 20 30 FIEDRM N#CC(=C([O-])c1noc2c1CCCC2)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000518516547 1101258260 /nfs/dbraw/zinc/25/82/60/1101258260.db2.gz JZQOUZCTXHZIQS-OAHLLOKOSA-N -1 0 374.425 4.039 20 30 FIEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(-c2ccccc2)c1 ZINC000506618114 1101577061 /nfs/dbraw/zinc/57/70/61/1101577061.db2.gz RGKRXVSNUOGLMT-UHFFFAOYSA-N -1 0 364.426 4.035 20 30 FIEDRM CC(C)(C)SCC(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000079737004 1101826662 /nfs/dbraw/zinc/82/66/62/1101826662.db2.gz SSTWKDSMSLYZPR-UHFFFAOYSA-N -1 0 362.325 4.232 20 30 FIEDRM C=CCN=c1[n-]nc(SCc2csc(CCc3ccccc3)n2)s1 ZINC000440183218 1102077630 /nfs/dbraw/zinc/07/76/30/1102077630.db2.gz FEYAFLBDWJWZOA-UHFFFAOYSA-N -1 0 374.560 4.092 20 30 FIEDRM CC(C)(C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000054428098 1102236390 /nfs/dbraw/zinc/23/63/90/1102236390.db2.gz IGKMTVPSMUWWGV-UHFFFAOYSA-N -1 0 369.845 4.243 20 30 FIEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1sc2ccccc2c1Cl ZINC000126645085 1102296603 /nfs/dbraw/zinc/29/66/03/1102296603.db2.gz TVKPYMDXZNICGD-AWEZNQCLSA-N -1 0 368.845 4.194 20 30 FIEDRM CC(C)c1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)nn1-c1ccccc1 ZINC000121871693 1102465763 /nfs/dbraw/zinc/46/57/63/1102465763.db2.gz NAUPOLRTCSENIO-INIZCTEOSA-N -1 0 369.428 4.362 20 30 FIEDRM CC(C)c1ncc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)s1 ZINC000123123611 1102797843 /nfs/dbraw/zinc/79/78/43/1102797843.db2.gz KOQYQTPTEJZHMW-GFCCVEGCSA-N -1 0 354.460 4.275 20 30 FIEDRM CC(C)(C)c1csc(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)c1C#N ZINC000427440919 1103554010 /nfs/dbraw/zinc/55/40/10/1103554010.db2.gz GRBWKALAQDEBKP-FQEVSTJZSA-N -1 0 370.474 4.288 20 30 FIEDRM CC(C)Oc1ncccc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000551771137 1103611681 /nfs/dbraw/zinc/61/16/81/1103611681.db2.gz GAMLXJCQVQMJIJ-CYBMUJFWSA-N -1 0 370.359 4.104 20 30 FIEDRM CCO[C@H](C)c1ncc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)s1 ZINC000430603403 1103803865 /nfs/dbraw/zinc/80/38/65/1103803865.db2.gz NHSCLVZHAVYNOL-GHMZBOCLSA-N -1 0 363.508 4.485 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2cnn(C)c2-c2ccccc2)n1 ZINC000538176710 1104009727 /nfs/dbraw/zinc/00/97/27/1104009727.db2.gz MIVIOUYJKPKCGY-CQSZACIVSA-N -1 0 350.447 4.157 20 30 FIEDRM CSc1ccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)o1 ZINC000112484695 1104363167 /nfs/dbraw/zinc/36/31/67/1104363167.db2.gz MSHLHIABZZPBNF-CYBMUJFWSA-N -1 0 365.439 4.487 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cnc([C@@H]3CCCO3)s2)s1 ZINC000520484076 1104889497 /nfs/dbraw/zinc/88/94/97/1104889497.db2.gz JUDBRQIOYXROMM-MNOVXSKESA-N -1 0 361.492 4.239 20 30 FIEDRM CCCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000427749655 1105266258 /nfs/dbraw/zinc/26/62/58/1105266258.db2.gz QMVAIHQNUZFXII-UHFFFAOYSA-N -1 0 357.479 4.138 20 30 FIEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000507937375 1105271125 /nfs/dbraw/zinc/27/11/25/1105271125.db2.gz MRPIUVAGUXNBSD-UHFFFAOYSA-N -1 0 370.261 4.016 20 30 FIEDRM C=CCCCS(=O)(=O)[N-]c1nc(-c2cc(C)c(F)cc2F)cs1 ZINC000427765981 1105275841 /nfs/dbraw/zinc/27/58/41/1105275841.db2.gz VYHSPSSFLTXPLI-UHFFFAOYSA-N -1 0 358.435 4.105 20 30 FIEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000507941161 1105278732 /nfs/dbraw/zinc/27/87/32/1105278732.db2.gz WPKUOCILCSBTQP-UHFFFAOYSA-N -1 0 371.849 4.207 20 30 FIEDRM Cc1nc(CC(C)C)oc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000530549475 1107131595 /nfs/dbraw/zinc/13/15/95/1107131595.db2.gz NWDIICZTLRTTKO-LBPRGKRZSA-N -1 0 351.328 4.085 20 30 FIEDRM N#CC[C@@H]1CC[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1 ZINC000451739422 1107295785 /nfs/dbraw/zinc/29/57/85/1107295785.db2.gz USBPGILHHYIBDY-WPRPVWTQSA-N -1 0 367.685 4.007 20 30 FIEDRM N#CC(=C([O-])c1ccc(-c2ccccc2C(F)(F)F)o1)c1ccncn1 ZINC000475518272 1107669127 /nfs/dbraw/zinc/66/91/27/1107669127.db2.gz ACLCSNUYKZPOJH-GFCCVEGCSA-N -1 0 357.291 4.245 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccn(CCc3ccccc3)n2)n1 ZINC000453703719 1108696366 /nfs/dbraw/zinc/69/63/66/1108696366.db2.gz ZSNZAEHFGXGZDU-MRXNPFEDSA-N -1 0 364.474 4.196 20 30 FIEDRM CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cc(F)c([O-])c(Cl)c2)cc1 ZINC000446047158 1109087830 /nfs/dbraw/zinc/08/78/30/1109087830.db2.gz NXLYQEPWFUCUQX-INIZCTEOSA-N -1 0 360.816 4.477 20 30 FIEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(SC(F)(F)F)cc1 ZINC000127323821 1109109387 /nfs/dbraw/zinc/10/93/87/1109109387.db2.gz LAKPIAONHFHVOB-CQSZACIVSA-N -1 0 370.396 4.070 20 30 FIEDRM O=S(=O)([N-]c1cc(F)c(F)c(F)c1)c1ccc(F)cc1C(F)(F)F ZINC000525482238 1109398721 /nfs/dbraw/zinc/39/87/21/1109398721.db2.gz IBDHLOHYDMOBRB-UHFFFAOYSA-N -1 0 373.249 4.063 20 30 FIEDRM COc1nc(C)ccc1C([O-])=C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000538578030 1111201874 /nfs/dbraw/zinc/20/18/74/1111201874.db2.gz DQGGJHQGGWKHMG-INIZCTEOSA-N -1 0 363.442 4.321 20 30 FIEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccccc1Oc1ccccc1Cl ZINC000462079485 1111490452 /nfs/dbraw/zinc/49/04/52/1111490452.db2.gz NGGSQGWAPAISDA-GFCCVEGCSA-N -1 0 350.827 4.176 20 30 FIEDRM CCC(CC)n1nccc1C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000151326432 1111735692 /nfs/dbraw/zinc/73/56/92/1111735692.db2.gz FZEZOLBPNJLIIW-HNNXBMFYSA-N -1 0 365.462 4.253 20 30 FIEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)N=c1[n-]nc(C(C)(C)C)s1 ZINC000480332956 1112386114 /nfs/dbraw/zinc/38/61/14/1112386114.db2.gz UPFSKQMUIQJTPZ-UHFFFAOYSA-N -1 0 370.931 4.193 20 30 FIEDRM O=C(CCc1ccc(-c2ccccc2)o1)[N-]S(=O)(=O)c1ccccc1 ZINC000042232114 1112828387 /nfs/dbraw/zinc/82/83/87/1112828387.db2.gz MPEJAIKGLZAWNG-UHFFFAOYSA-N -1 0 355.415 4.225 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cc3ccccc3[nH]c2=O)s1 ZINC000555698352 1112969681 /nfs/dbraw/zinc/96/96/81/1112969681.db2.gz AILHTSOQMLSTGR-CYBMUJFWSA-N -1 0 351.431 4.184 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cccnc2OCc2ccccc2F)n1 ZINC000482563888 1113297056 /nfs/dbraw/zinc/29/70/56/1113297056.db2.gz JBVWSXPGVNFDJV-OAHLLOKOSA-N -1 0 367.405 4.055 20 30 FIEDRM N#CC(=C([O-])c1ccc(Cl)cc1[N+](=O)[O-])c1nccc2ccccc21 ZINC000483224675 1113464845 /nfs/dbraw/zinc/46/48/45/1113464845.db2.gz FYYMWOLIHDQUNO-OAHLLOKOSA-N -1 0 351.749 4.286 20 30 FIEDRM COc1ccc(-c2cc(C([O-])=C(C#N)c3nccc4ccccc43)n[nH]2)cc1 ZINC000483215303 1113466780 /nfs/dbraw/zinc/46/67/80/1113466780.db2.gz QGJVEFFEPSUYPM-GOSISDBHSA-N -1 0 368.396 4.124 20 30 FIEDRM C=C[C@@H](CC)CC(=O)N(Cc1ccoc1C(=O)[O-])[C@H](C)c1ccccn1 ZINC000907813464 1113580826 /nfs/dbraw/zinc/58/08/26/1113580826.db2.gz XMYNXDBXXGPPRI-CABCVRRESA-N -1 0 356.422 4.065 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2cnc3ccccc3n2)sc2nccc(C)c12 ZINC000490979845 1114358201 /nfs/dbraw/zinc/35/82/01/1114358201.db2.gz ZHICUIFQCPZTHG-CYBMUJFWSA-N -1 0 358.426 4.346 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C)n1CC(F)(F)F ZINC000054734184 1114384769 /nfs/dbraw/zinc/38/47/69/1114384769.db2.gz MAMWVTFWNXHMDI-CYBMUJFWSA-N -1 0 361.323 4.299 20 30 FIEDRM O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)c1cc(Cl)sc1Cl ZINC000045099790 1114561037 /nfs/dbraw/zinc/56/10/37/1114561037.db2.gz JMUJFYFCNVHBSW-UHFFFAOYSA-N -1 0 368.238 4.029 20 30 FIEDRM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1ccc(Cl)o1 ZINC000129667958 1114699178 /nfs/dbraw/zinc/69/91/78/1114699178.db2.gz IYBMGYPCWUJMQI-QMMMGPOBSA-N -1 0 357.580 4.201 20 30 FIEDRM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2C#N)cc1 ZINC000589589353 1114813703 /nfs/dbraw/zinc/81/37/03/1114813703.db2.gz WIQZYINAIYIXKQ-UHFFFAOYSA-N -1 0 372.393 4.100 20 30 FIEDRM Cc1ccc2ncc(C#N)c(N3CCC(c4ccccc4C(=O)[O-])CC3)c2c1 ZINC000591327061 1115056413 /nfs/dbraw/zinc/05/64/13/1115056413.db2.gz GOHAKGAQJFZIJI-UHFFFAOYSA-N -1 0 371.440 4.497 20 30 FIEDRM CC(C)(C)c1ccc(C#N)c(N2CCC(c3ccccc3C(=O)[O-])CC2)n1 ZINC000591327087 1115056733 /nfs/dbraw/zinc/05/67/33/1115056733.db2.gz JOFWOAVLEVHZBZ-UHFFFAOYSA-N -1 0 363.461 4.333 20 30 FIEDRM Cc1cccc(OCCCCC(=O)[N-]S(=O)(=O)C2CCCCC2)c1 ZINC000058081566 1115100628 /nfs/dbraw/zinc/10/06/28/1115100628.db2.gz ZZWNTXAKLBSXEO-UHFFFAOYSA-N -1 0 353.484 4.163 20 30 FIEDRM CCc1c(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cnn1C(C)(C)C ZINC000592974113 1115272846 /nfs/dbraw/zinc/27/28/46/1115272846.db2.gz NLJAGDOYYRWUGH-GFCCVEGCSA-N -1 0 370.453 4.439 20 30 FIEDRM CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593276788 1115316095 /nfs/dbraw/zinc/31/60/95/1115316095.db2.gz JMJQPHFUAPDHMV-HNNXBMFYSA-N -1 0 374.510 4.092 20 30 FIEDRM C=CCCOc1ccccc1-c1ccc([S@@](=O)CCCC(=O)[O-])cc1 ZINC000574340296 1115343489 /nfs/dbraw/zinc/34/34/89/1115343489.db2.gz YIHQPEIJIHDJLW-VWLOTQADSA-N -1 0 358.459 4.281 20 30 FIEDRM Cc1ccc2c(CC(=O)[N-]S(=O)(=O)c3ccc(C)cc3C)coc2c1 ZINC000046930095 1115550451 /nfs/dbraw/zinc/55/04/51/1115550451.db2.gz OHWPSTKSMUQQDP-UHFFFAOYSA-N -1 0 357.431 4.246 20 30 FIEDRM N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(Cl)cc3[O-])cn2)c1 ZINC000603622158 1115799989 /nfs/dbraw/zinc/79/99/89/1115799989.db2.gz MPWVEZKTQCZZQE-UHFFFAOYSA-N -1 0 365.776 4.357 20 30 FIEDRM CC(C)c1nc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cs1 ZINC000171146232 1115843358 /nfs/dbraw/zinc/84/33/58/1115843358.db2.gz SXQPPVVXEYYKIU-SNVBAGLBSA-N -1 0 365.817 4.020 20 30 FIEDRM N#CC(=C([O-])c1cc(Cl)cc2c1OCC2)c1nc2ccccc2s1 ZINC000463065001 1117949134 /nfs/dbraw/zinc/94/91/34/1117949134.db2.gz SJYHZRPIGAUGFN-ZDUSSCGKSA-N -1 0 354.818 4.375 20 30 FIEDRM CCCn1cc(C([O-])=C(C#N)c2nc(-c3ccc(C)cc3)cs2)cn1 ZINC000541018191 1118355602 /nfs/dbraw/zinc/35/56/02/1118355602.db2.gz DLSCBZSEVXDVOM-INIZCTEOSA-N -1 0 350.447 4.215 20 30 FIEDRM CSc1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)ccc1F ZINC000464396418 1118544139 /nfs/dbraw/zinc/54/41/39/1118544139.db2.gz DOACWJLADPSEFN-LLVKDONJSA-N -1 0 354.328 4.451 20 30 FIEDRM N#CC(=C([O-])c1coc(-c2ccccc2)n1)c1cc(C(F)(F)F)ccn1 ZINC000464410892 1118547274 /nfs/dbraw/zinc/54/72/74/1118547274.db2.gz XTGVTNXLGKGOKD-CYBMUJFWSA-N -1 0 357.291 4.245 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c2ccccc2n1 ZINC000464420950 1118558943 /nfs/dbraw/zinc/55/89/43/1118558943.db2.gz KHJAGPNFLDYCCU-OAHLLOKOSA-N -1 0 355.319 4.447 20 30 FIEDRM CO[C@@H](C)c1nc(C)c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)s1 ZINC000464426560 1118561386 /nfs/dbraw/zinc/56/13/86/1118561386.db2.gz NMSTXGCJAGWSNN-GXSJLCMTSA-N -1 0 369.368 4.063 20 30 FIEDRM CC(C)COc1ncccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464473220 1118574481 /nfs/dbraw/zinc/57/44/81/1118574481.db2.gz QXPHYTQNFKUCTF-AWEZNQCLSA-N -1 0 363.339 4.020 20 30 FIEDRM N#CC(=C([O-])c1ccc(C(F)(F)F)cn1)c1cc(C(F)(F)F)ccn1 ZINC000464473715 1118574701 /nfs/dbraw/zinc/57/47/01/1118574701.db2.gz HOYGWOPAKNNKAK-JTQLQIEISA-N -1 0 359.229 4.004 20 30 FIEDRM CCC(CC)n1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)n1 ZINC000464475331 1118575732 /nfs/dbraw/zinc/57/57/32/1118575732.db2.gz UVSCRSNJDDDXCG-CYBMUJFWSA-N -1 0 350.344 4.148 20 30 FIEDRM C[C@@H](Oc1cccc(C(=O)/C=C\c2nc3ccc(F)cc3s2)c1)C(=O)[O-] ZINC000761475310 1119058164 /nfs/dbraw/zinc/05/81/64/1119058164.db2.gz CPROJSWMEGMQIM-SKVAFPRGSA-N -1 0 371.389 4.183 20 30 FIEDRM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccccc2SC[C@H](C)C#N)c1 ZINC000176707056 1119290284 /nfs/dbraw/zinc/29/02/84/1119290284.db2.gz OMXZGYGOCIQFIU-CYBMUJFWSA-N -1 0 364.467 4.187 20 30 FIEDRM Cc1nn(-c2ccccc2)cc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000177745676 1119348599 /nfs/dbraw/zinc/34/85/99/1119348599.db2.gz PLCUDTFRBFHNSJ-HNNXBMFYSA-N -1 0 350.447 4.251 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc(C(C)C)cs2)cnn1-c1ccccc1F ZINC000177771952 1119350171 /nfs/dbraw/zinc/35/01/71/1119350171.db2.gz WJTFXRVOHIRZJV-CYBMUJFWSA-N -1 0 368.437 4.390 20 30 FIEDRM Cc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000194590380 1120285123 /nfs/dbraw/zinc/28/51/23/1120285123.db2.gz BNWBDUXOOCFHEC-ZDUSSCGKSA-N -1 0 370.315 4.138 20 30 FIEDRM CCCc1noc2nc(C3CC3)cc(C([O-])=C(C#N)c3nc(C)cs3)c12 ZINC000194678262 1120292261 /nfs/dbraw/zinc/29/22/61/1120292261.db2.gz YPOZZCZUCDKVBQ-ZDUSSCGKSA-N -1 0 366.446 4.308 20 30 FIEDRM CCOC(=O)N[C@@H](C/N=C\c1cc(Cl)cc(Cl)c1[O-])CC(C)C ZINC000915112900 1120820211 /nfs/dbraw/zinc/82/02/11/1120820211.db2.gz JTAOMEQRYXOHKZ-OPCBQMRQSA-N -1 0 361.269 4.279 20 30 FIEDRM C[C@H](/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000915981647 1121362629 /nfs/dbraw/zinc/36/26/29/1121362629.db2.gz FKNLKVDMNOGTAV-ZFKRWFGPSA-N -1 0 373.796 4.019 20 30 FIEDRM COc1ccc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)cc1OCC(C)C ZINC000915987567 1121367105 /nfs/dbraw/zinc/36/71/05/1121367105.db2.gz GTAOSCKKCVRKHD-POHAHGRESA-N -1 0 368.429 4.253 20 30 FIEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2csc(Br)c2)cc1 ZINC000915987969 1121367819 /nfs/dbraw/zinc/36/78/19/1121367819.db2.gz OICPSGJMRJUDBE-ZZXKWVIFSA-N -1 0 351.221 4.034 20 30 FIEDRM O=C([O-])c1ccc(/C=C\C(=O)c2ccc(N3CCCCC3)c(F)c2)cc1 ZINC000916128980 1121419304 /nfs/dbraw/zinc/41/93/04/1121419304.db2.gz NDMFCIKWRCWKRF-WDZFZDKYSA-N -1 0 353.393 4.410 20 30 FIEDRM CCCCc1ccc(C(=O)/C=C\c2ccc(OCC(=O)[O-])c(OC)c2)cc1 ZINC000916134018 1121421574 /nfs/dbraw/zinc/42/15/74/1121421574.db2.gz YUGBMURZFKBOIF-WQLSENKSSA-N -1 0 368.429 4.397 20 30 FIEDRM O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(N2CCCCC2)cc1 ZINC000916154245 1121429664 /nfs/dbraw/zinc/42/96/64/1121429664.db2.gz FHGTVGWCNVILCZ-WMZJFQQLSA-N -1 0 352.390 4.187 20 30 FIEDRM CC(=[NH+][N-]c1ccc(C(=O)[O-])cc1)c1ccc(N2CCCCC2)c(F)c1 ZINC000916240720 1121449718 /nfs/dbraw/zinc/44/97/18/1121449718.db2.gz LKSABAQIEKYEHU-UHFFFAOYSA-N -1 0 355.413 4.350 20 30 FIEDRM CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1ccc(OC(F)F)cc1 ZINC000916259345 1121453295 /nfs/dbraw/zinc/45/32/95/1121453295.db2.gz HBZGXDUUNVFSMC-UHFFFAOYSA-N -1 0 354.740 4.476 20 30 FIEDRM CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccc(C(=O)[O-])o2)cc1 ZINC000916245068 1121455650 /nfs/dbraw/zinc/45/56/50/1121455650.db2.gz RXFANHSEIKSFOL-UHFFFAOYSA-N -1 0 365.345 4.389 20 30 FIEDRM CCCC[C@H](CC)COc1ccc(C(C)=NNc2nnc(C)c(=O)[n-]2)cc1 ZINC000916282980 1121457064 /nfs/dbraw/zinc/45/70/64/1121457064.db2.gz WTQGBPFJLIXBJH-INIZCTEOSA-N -1 0 371.485 4.317 20 30 FIEDRM CCCN(CCC)c1ccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)cc1 ZINC000916303563 1121468129 /nfs/dbraw/zinc/46/81/29/1121468129.db2.gz GXWCLOSSJSFABZ-UHFFFAOYSA-N -1 0 371.432 4.094 20 30 FIEDRM O=C([O-])c1ccc(NN=C(CC(F)(F)F)c2ccc(Cl)cc2)nc1 ZINC000763367431 1121474758 /nfs/dbraw/zinc/47/47/58/1121474758.db2.gz DOPZHVZOAJRJOL-UHFFFAOYSA-N -1 0 357.719 4.202 20 30 FIEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1sc2cccc(Cl)c2c1Cl ZINC000916870456 1121903782 /nfs/dbraw/zinc/90/37/82/1121903782.db2.gz ANUKHZDKLUKMQA-VIFPVBQESA-N -1 0 367.257 4.153 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(SC(F)(F)F)cc1 ZINC000916876054 1121906167 /nfs/dbraw/zinc/90/61/67/1121906167.db2.gz OEFWEXVPEDIXLI-CQSZACIVSA-N -1 0 372.412 4.317 20 30 FIEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc2c(c1)-c1ccccc1C2 ZINC000916895404 1121923936 /nfs/dbraw/zinc/92/39/36/1121923936.db2.gz JFRKSKHCOBSEIC-NRFANRHFSA-N -1 0 358.441 4.029 20 30 FIEDRM Cc1cc(C=Nn2c(=S)[n-]nc2C(F)(F)F)c(C)n1C1CCCCC1 ZINC000917027114 1122011369 /nfs/dbraw/zinc/01/13/69/1122011369.db2.gz WVGPRXGDTSSETB-UHFFFAOYSA-N -1 0 371.432 4.391 20 30 FIEDRM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000066814199 1122099124 /nfs/dbraw/zinc/09/91/24/1122099124.db2.gz WAEBEBUOCZMRNP-GFCCVEGCSA-N -1 0 350.440 4.021 20 30 FIEDRM N#CC(=C([O-])c1ncoc1C1CC1)c1nc(-c2c(F)cccc2F)cs1 ZINC000497440550 1122233488 /nfs/dbraw/zinc/23/34/88/1122233488.db2.gz GXFRSIJSAMDNTC-SNVBAGLBSA-N -1 0 371.368 4.444 20 30 FIEDRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)c1 ZINC000498010621 1122513682 /nfs/dbraw/zinc/51/36/82/1122513682.db2.gz BJKQKUQKVRDVRQ-UHFFFAOYSA-N -1 0 364.854 4.108 20 30 FIEDRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ncccc2OCCCC#N)cc1 ZINC000069677495 1122650807 /nfs/dbraw/zinc/65/08/07/1122650807.db2.gz VVLGNSNRIZOACI-HNNXBMFYSA-N -1 0 373.478 4.078 20 30 FIEDRM Cc1cc(C)cc(C(=O)C(C#N)=C([O-])c2sccc2Br)c1 ZINC000918537578 1122685385 /nfs/dbraw/zinc/68/53/85/1122685385.db2.gz WHDGAXVEUDFLKZ-GFCCVEGCSA-N -1 0 362.248 4.333 20 30 FIEDRM N#CC(=C([O-])c1ccc(-c2ccc(C(F)(F)F)cc2)o1)c1ccncn1 ZINC000498677825 1122944572 /nfs/dbraw/zinc/94/45/72/1122944572.db2.gz JAJZIPVVMIVYLK-CYBMUJFWSA-N -1 0 357.291 4.245 20 30 FIEDRM N#CC(=C([O-])c1cnc(C(F)(F)F)c(C#N)c1)c1nccc2ccccc21 ZINC000498980717 1123113557 /nfs/dbraw/zinc/11/35/57/1123113557.db2.gz TUWYYUDJCYKGHZ-HNNXBMFYSA-N -1 0 366.302 4.010 20 30 FIEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(OCC2CCCCC2)cc1 ZINC000920113962 1123361874 /nfs/dbraw/zinc/36/18/74/1123361874.db2.gz VUYRHPPOCLUPHW-HXUWFJFHSA-N -1 0 368.477 4.027 20 30 FIEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\C2CCN(c3ccccc3)CC2)c1[O-] ZINC000920172214 1123402151 /nfs/dbraw/zinc/40/21/51/1123402151.db2.gz BJYATRCEQVYDSK-NDENLUEZSA-N -1 0 359.813 4.042 20 30 FIEDRM [O-]c1c(Cl)cc(Cl)cc1/C=N\CCc1ccc2c(c1)OCCO2 ZINC000920942111 1123539821 /nfs/dbraw/zinc/53/98/21/1123539821.db2.gz LMEKYMUOFKTVOY-JMIUGGIZSA-N -1 0 352.217 4.132 20 30 FIEDRM C=CCN(Cc1cccs1)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000921209682 1123584489 /nfs/dbraw/zinc/58/44/89/1123584489.db2.gz IEYNYFBTBWSNDV-UHFFFAOYSA-N -1 0 361.850 4.402 20 30 FIEDRM CSc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cc1 ZINC000609985307 1123907879 /nfs/dbraw/zinc/90/78/79/1123907879.db2.gz RTCKGBQYNKFTQA-UHFFFAOYSA-N -1 0 372.393 4.100 20 30 FIEDRM Cc1cc(Br)oc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000080453029 1123966222 /nfs/dbraw/zinc/96/62/22/1123966222.db2.gz SDGLKIWXOWAPGF-VIFPVBQESA-N -1 0 353.241 4.421 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc3cc(Cl)ccc3o2)n1 ZINC000067898323 1123984915 /nfs/dbraw/zinc/98/49/15/1123984915.db2.gz XWCFCMUHBYGRKF-NSHDSACASA-N -1 0 374.805 4.209 20 30 FIEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000007056087 1124858550 /nfs/dbraw/zinc/85/85/50/1124858550.db2.gz WYZSSZYCNVECTE-UHFFFAOYSA-N -1 0 360.744 4.031 20 30 FIEDRM CO[C@@H](C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC000069605222 1125018419 /nfs/dbraw/zinc/01/84/19/1125018419.db2.gz QDZWSMKBQAHCHX-CYBMUJFWSA-N -1 0 374.245 4.026 20 30 FIEDRM Cc1nc(-c2ccccc2)sc1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000181758438 1125130619 /nfs/dbraw/zinc/13/06/19/1125130619.db2.gz YRZYHQGBQYPWHK-UHFFFAOYSA-N -1 0 369.471 4.099 20 30 FIEDRM O=C([N-]S(=O)(=O)c1ccccc1)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000070028853 1125243559 /nfs/dbraw/zinc/24/35/59/1125243559.db2.gz RBQVDNAFTYJWFG-OLZOCXBDSA-N -1 0 370.257 4.442 20 30 FIEDRM CC(C)C[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000070031249 1125244485 /nfs/dbraw/zinc/24/44/85/1125244485.db2.gz KGYYZDJIHOZYGN-LLVKDONJSA-N -1 0 351.390 4.423 20 30 FIEDRM CC(C)C[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccccc1Br ZINC000070031353 1125244758 /nfs/dbraw/zinc/24/47/58/1125244758.db2.gz OHVSVNZONVJBNZ-NSHDSACASA-N -1 0 362.289 4.167 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2sc(NC(=O)c3ccco3)cc2C)n1 ZINC000041517424 208285208 /nfs/dbraw/zinc/28/52/08/208285208.db2.gz ZMGISCDDXUIGDT-NSHDSACASA-N -1 0 371.443 4.157 20 30 FIEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](c2ccccc2)C2CCCC2)cc1C#N ZINC000522760136 568063328 /nfs/dbraw/zinc/06/33/28/568063328.db2.gz RDZMDQZPGUSXRC-QGZVFWFLSA-N -1 0 367.474 4.042 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)s1 ZINC000066814130 568070968 /nfs/dbraw/zinc/07/09/68/568070968.db2.gz UXSRHNMICQFDDF-GFCCVEGCSA-N -1 0 352.506 4.252 20 30 FIEDRM CCc1ncc(C([O-])=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)s1 ZINC000068412992 568087171 /nfs/dbraw/zinc/08/71/71/568087171.db2.gz JAZMVOPLIOXMNX-ZDUSSCGKSA-N -1 0 369.471 4.328 20 30 FIEDRM N#C[C@@H](Cc1ccccc1)Sc1n[n-]c(=Nc2cccc(F)c2)s1 ZINC000604083292 568209383 /nfs/dbraw/zinc/20/93/83/568209383.db2.gz DOLVPYRRUXDJIR-OAHLLOKOSA-N -1 0 356.451 4.070 20 30 FIEDRM COc1ccc2nc(C3CC3)cc(C([O-])=C(C#N)c3nc(C)cs3)c2c1 ZINC000152002650 568279280 /nfs/dbraw/zinc/27/92/80/568279280.db2.gz YWVRLKMQNCSRLA-MRXNPFEDSA-N -1 0 363.442 4.376 20 30 FIEDRM Cc1[nH]nc(C([O-])=C(C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1C ZINC000604690894 568345998 /nfs/dbraw/zinc/34/59/98/568345998.db2.gz MKQXXSSHQNPKPL-JTQLQIEISA-N -1 0 364.352 4.145 20 30 FIEDRM N#CC(=C([O-])C=CC1CCOCC1)c1nc(-c2c(F)cccc2F)cs1 ZINC000112223067 1125529617 /nfs/dbraw/zinc/52/96/17/1125529617.db2.gz ABTUOOLKAPKRGG-MUBLQREKSA-N -1 0 374.412 4.247 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(-c3cccs3)o2)n1 ZINC000543057457 1125576705 /nfs/dbraw/zinc/57/67/05/1125576705.db2.gz DIYKSHBNOSHXNQ-SNVBAGLBSA-N -1 0 372.427 4.131 20 30 FIEDRM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2OC2CCCC2)c1 ZINC000619463541 1125596154 /nfs/dbraw/zinc/59/61/54/1125596154.db2.gz RBEGNTWNAQRWEV-UHFFFAOYSA-N -1 0 374.437 4.014 20 30 FIEDRM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1OC1CCCC1 ZINC000619463514 1125596395 /nfs/dbraw/zinc/59/63/95/1125596395.db2.gz LZRSUKYWKLFYJR-UHFFFAOYSA-N -1 0 374.437 4.014 20 30 FIEDRM COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C)[nH]c3C)n2)cc1 ZINC000619756437 1125682337 /nfs/dbraw/zinc/68/23/37/1125682337.db2.gz IJASEHPFXRIXRA-INIZCTEOSA-N -1 0 351.431 4.254 20 30 FIEDRM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccccc1F ZINC000108985407 1079886397 /nfs/dbraw/zinc/88/63/97/1079886397.db2.gz UNKGGUUZECIQFT-GFCCVEGCSA-N -1 0 350.440 4.021 20 30 FIEDRM CCOC(=O)Nc1ccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000254944659 1080069434 /nfs/dbraw/zinc/06/94/34/1080069434.db2.gz GJQNWVMQTLDFSZ-UHFFFAOYSA-N -1 0 363.757 4.273 20 30 FIEDRM Cc1cccc(S(=O)(=O)[N-]c2ccccc2SC[C@@H](C)C#N)c1F ZINC000180509904 1080505878 /nfs/dbraw/zinc/50/58/78/1080505878.db2.gz BYFZGBWREXVOCY-LBPRGKRZSA-N -1 0 364.467 4.187 20 30 FIEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1ccc(OCC2CC2)cc1 ZINC000120973820 1081123846 /nfs/dbraw/zinc/12/38/46/1081123846.db2.gz MENNKOCKZKZBMQ-IBGZPJMESA-N -1 0 372.424 4.471 20 30 FIEDRM N#CC(=C([O-])c1nccs1)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000683689750 1081387460 /nfs/dbraw/zinc/38/74/60/1081387460.db2.gz LYXLEDMLPBDEST-QMMMGPOBSA-N -1 0 353.350 4.262 20 30 FIEDRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000610334950 1081480597 /nfs/dbraw/zinc/48/05/97/1081480597.db2.gz KQIHRWGVHNXRMM-UHFFFAOYSA-N -1 0 370.380 4.319 20 30 FIEDRM O=C1c2ccc(Cl)c(Cl)c2OC/C1=C\c1ccc([N+](=O)[O-])c([O-])c1 ZINC000748147381 1081590999 /nfs/dbraw/zinc/59/09/99/1081590999.db2.gz NPARRFRKUMJMPQ-WEVVVXLNSA-N -1 0 366.156 4.266 20 30 FIEDRM O=C([O-])c1csc(/C=C\C(=O)c2ccc(Br)c(F)c2)c1 ZINC000782208385 1082202661 /nfs/dbraw/zinc/20/26/61/1082202661.db2.gz ZQHKGTKDGQRCPH-RQOWECAXSA-N -1 0 355.184 4.244 20 30 FIEDRM COCCOc1cc(N=Cc2cc(Cl)cc(Cl)c2[O-])ccc1OC ZINC000255281631 1082402228 /nfs/dbraw/zinc/40/22/28/1082402228.db2.gz UZPAGYXGJADILK-UHFFFAOYSA-N -1 0 370.232 4.483 20 30 FIEDRM CS(=O)(=O)CCc1ccc(N=Cc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000255299117 1082551869 /nfs/dbraw/zinc/55/18/69/1082551869.db2.gz ZNDXUMRUNMJKQH-UHFFFAOYSA-N -1 0 372.273 4.037 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccn(-c3ccccc3F)n2)s1 ZINC000430611114 1082668129 /nfs/dbraw/zinc/66/81/29/1082668129.db2.gz NEZKIFZFUSWDMT-LBPRGKRZSA-N -1 0 368.437 4.255 20 30 FIEDRM CCc1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cc1[N+](=O)[O-] ZINC000430613406 1082678955 /nfs/dbraw/zinc/67/89/55/1082678955.db2.gz WLMBHOYZQJYPOJ-ZDUSSCGKSA-N -1 0 357.435 4.401 20 30 FIEDRM CCc1noc(C)c1C([O-])=C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000051153286 1082782430 /nfs/dbraw/zinc/78/24/30/1082782430.db2.gz JXKXVKUIFUHGLX-CQSZACIVSA-N -1 0 351.431 4.467 20 30 FIEDRM CCn1cc(CC(=O)[N-]S(=O)(=O)[C@@H](C)c2ccccc2)c2ccccc21 ZINC000077880208 1082797663 /nfs/dbraw/zinc/79/76/63/1082797663.db2.gz SWBMMBKURBWZRJ-HNNXBMFYSA-N -1 0 370.474 4.251 20 30 FIEDRM Cc1ccc(OCCC(=O)[N-]S(=O)(=O)[C@@H](C)c2ccccc2)c(C)c1 ZINC000077879936 1082797684 /nfs/dbraw/zinc/79/76/84/1082797684.db2.gz AIUFAHVRLCJPLX-INIZCTEOSA-N -1 0 361.463 4.120 20 30 FIEDRM Cc1ccccc1OCCCC(=O)[N-]S(=O)(=O)[C@H](C)c1ccccc1 ZINC000077879589 1082797997 /nfs/dbraw/zinc/79/79/97/1082797997.db2.gz RRJTXZIKFMIJIZ-MRXNPFEDSA-N -1 0 361.463 4.202 20 30 FIEDRM N#CC(=C([O-])c1cnc(-c2cccnc2)s1)c1cc(C(F)(F)F)ccn1 ZINC000581700650 1082824639 /nfs/dbraw/zinc/82/46/39/1082824639.db2.gz QPDFSIVZFJPATI-GFCCVEGCSA-N -1 0 374.347 4.109 20 30 FIEDRM N#CC(=C([O-])C=Cc1cncc(F)c1)c1nc2cc(Cl)ccc2s1 ZINC000255368102 1082829769 /nfs/dbraw/zinc/82/97/69/1082829769.db2.gz HJKFGIIHHSLJEI-GIDQFRGBSA-N -1 0 357.797 4.373 20 30 FIEDRM N#CC(=C([O-])c1coc(-c2ccccc2)n1)c1ccc(C(F)(F)F)cn1 ZINC000121557048 1083098381 /nfs/dbraw/zinc/09/83/81/1083098381.db2.gz KWVQHNXBJJECOT-CYBMUJFWSA-N -1 0 357.291 4.245 20 30 FIEDRM CCc1ccc(C(=O)/C=C\c2ccc(OCCC(=O)[O-])c(OC)c2)s1 ZINC000588460264 1083329612 /nfs/dbraw/zinc/32/96/12/1083329612.db2.gz DTSBDQCRGVOYFZ-DAXSKMNVSA-N -1 0 360.431 4.069 20 30 FIEDRM CCC(CC)n1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)n1 ZINC000431142962 1083351034 /nfs/dbraw/zinc/35/10/34/1083351034.db2.gz HSESBTRDGPSKRK-ZDUSSCGKSA-N -1 0 350.344 4.148 20 30 FIEDRM C[C@@H]1C[C@H]1C(=O)Nc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647377238 1083360806 /nfs/dbraw/zinc/36/08/06/1083360806.db2.gz ZEALBZGYGFRRIB-LYRGGWFBSA-N -1 0 365.458 4.105 20 30 FIEDRM C[C@@H]1C[C@H]1C(=O)Nc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647377237 1083361175 /nfs/dbraw/zinc/36/11/75/1083361175.db2.gz ZEALBZGYGFRRIB-HFBAOOFYSA-N -1 0 365.458 4.105 20 30 FIEDRM CC(C)NC(=O)Nc1cccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1 ZINC000647377187 1083365436 /nfs/dbraw/zinc/36/54/36/1083365436.db2.gz WBAUCOUWZDZLQD-OAHLLOKOSA-N -1 0 368.462 4.040 20 30 FIEDRM N#CC(=C([O-])c1cc(Br)cs1)c1nc(C2CC2)cs1 ZINC000647377286 1083371980 /nfs/dbraw/zinc/37/19/80/1083371980.db2.gz AQNDSEIEYSZPKR-VIFPVBQESA-N -1 0 353.266 4.335 20 30 FIEDRM Cc1nn(-c2ccccc2)cc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000102595161 1083439813 /nfs/dbraw/zinc/43/98/13/1083439813.db2.gz ZYNKIGQQQKDCIV-OAHLLOKOSA-N -1 0 370.334 4.085 20 30 FIEDRM Cc1cc(OCc2ccccc2)ccc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188425292 1083546179 /nfs/dbraw/zinc/54/61/79/1083546179.db2.gz BYFMWWBLBBCSTC-UHFFFAOYSA-N -1 0 358.397 4.404 20 30 FIEDRM Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000179741552 1083620907 /nfs/dbraw/zinc/62/09/07/1083620907.db2.gz QUGHHOKRYFWUCK-UHFFFAOYSA-N -1 0 353.765 4.133 20 30 FIEDRM Cc1nc2cc(C([O-])=C(C#N)c3nc4cc(F)ccc4s3)ccc2o1 ZINC000684632123 1083934893 /nfs/dbraw/zinc/93/48/93/1083934893.db2.gz RTWPQHJJMKZDON-GFCCVEGCSA-N -1 0 351.362 4.375 20 30 FIEDRM N#C[C@@H](NC(=O)c1cccc(Cl)c1[O-])c1ccc(Cl)c(Cl)c1 ZINC001267515992 1083977173 /nfs/dbraw/zinc/97/71/73/1083977173.db2.gz XSGRRLGCRXYOHG-CYBMUJFWSA-N -1 0 355.608 4.347 20 30 FIEDRM COc1ccc(/C=C\C(=O)c2ccc([O-])c(F)c2)cc1Br ZINC000728438240 1084143167 /nfs/dbraw/zinc/14/31/67/1084143167.db2.gz CIUNBFZKCQPHQN-DJWKRKHSSA-N -1 0 351.171 4.199 20 30 FIEDRM Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C\C(=O)c1ccc([O-])c(F)c1 ZINC000728438464 1084172279 /nfs/dbraw/zinc/17/22/79/1084172279.db2.gz FTKLEWSMRYAELA-NTMALXAHSA-N -1 0 354.356 4.369 20 30 FIEDRM Cc1nn(Cc2ccccc2)c(C)c1/C=C/C(=O)c1ccc([O-])c(F)c1 ZINC000728438604 1084172357 /nfs/dbraw/zinc/17/23/57/1084172357.db2.gz IKIJFFLZAHDLLF-PKNBQFBNSA-N -1 0 350.393 4.289 20 30 FIEDRM N#CC(=C([O-])c1ccn(-c2cccc(Cl)c2)n1)c1nc2ccccc2o1 ZINC000066516625 1084589529 /nfs/dbraw/zinc/58/95/29/1084589529.db2.gz YQMOMILEQMGWPN-CQSZACIVSA-N -1 0 362.776 4.157 20 30 FIEDRM CC(C)c1ncncc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000613407542 1084706600 /nfs/dbraw/zinc/70/66/00/1084706600.db2.gz YNWJOWXFLOBPNB-NSHDSACASA-N -1 0 356.838 4.353 20 30 FIEDRM COc1c(Br)ccc(Nc2cc(C)cc(C(=O)[O-])c2)c1C#N ZINC001211550404 1085223891 /nfs/dbraw/zinc/22/38/91/1085223891.db2.gz ZCWQTCKEKRBWOH-UHFFFAOYSA-N -1 0 361.195 4.080 20 30 FIEDRM Cc1nc(C(C)C)oc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000582642572 1085315022 /nfs/dbraw/zinc/31/50/22/1085315022.db2.gz KOMCZHJUOAJGJL-LLVKDONJSA-N -1 0 358.348 4.341 20 30 FIEDRM Cc1nc(F)ccc1/C=C\C(=O)c1cc(Br)cc(F)c1[O-] ZINC000782352527 1085401795 /nfs/dbraw/zinc/40/17/95/1085401795.db2.gz UYSMKLMORYIRCT-RQOWECAXSA-N -1 0 354.150 4.032 20 30 FIEDRM CC(C)C(=O)Nc1cccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000255539519 1085620668 /nfs/dbraw/zinc/62/06/68/1085620668.db2.gz YOWIOHRYKWTYOQ-UHFFFAOYSA-N -1 0 361.785 4.299 20 30 FIEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000511220784 1085972269 /nfs/dbraw/zinc/97/22/69/1085972269.db2.gz JPUNEYOQXBBFDP-UHFFFAOYSA-N -1 0 366.442 4.299 20 30 FIEDRM CC(C)Oc1cncc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)c1 ZINC000093244807 1086683070 /nfs/dbraw/zinc/68/30/70/1086683070.db2.gz QNDWGAFSXZPLIY-QGZVFWFLSA-N -1 0 363.442 4.482 20 30 FIEDRM N#CC(=C([O-])c1cnn(CCF)c1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000685142975 1086722338 /nfs/dbraw/zinc/72/23/38/1086722338.db2.gz BROFRLMBJZJNBP-AWEZNQCLSA-N -1 0 374.828 4.120 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])C=Cc3cccnc3)n2)cc1 ZINC000255570853 1086795352 /nfs/dbraw/zinc/79/53/52/1086795352.db2.gz ANPLKBGGKBPAPK-INDRUJQFSA-N -1 0 361.426 4.103 20 30 FIEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)c(C)s1 ZINC000480262963 1087311049 /nfs/dbraw/zinc/31/10/49/1087311049.db2.gz KCMIKJRKWZTHOQ-UHFFFAOYSA-N -1 0 360.382 4.056 20 30 FIEDRM Cc1cc(C(=O)[O-])ccc1Nc1c(C#N)cnn1-c1ccc(Cl)cc1 ZINC001211618917 1087367713 /nfs/dbraw/zinc/36/77/13/1087367713.db2.gz XPJFFCYTOZSBQM-UHFFFAOYSA-N -1 0 352.781 4.148 20 30 FIEDRM COc1ccc(C(=O)/C=C\c2cn(CCC#N)nc2-c2ccccc2)c([O-])c1 ZINC000588610458 1087464887 /nfs/dbraw/zinc/46/48/87/1087464887.db2.gz LZEXOYGRTLIQIB-FLIBITNWSA-N -1 0 373.412 4.074 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ncccc2OCC(F)(F)F)n1 ZINC000176605043 1088021571 /nfs/dbraw/zinc/02/15/71/1088021571.db2.gz JJPGDGLENJBSDD-JTQLQIEISA-N -1 0 369.368 4.093 20 30 FIEDRM COc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)c(OCc2ccccc2)c1 ZINC000189269690 1088460052 /nfs/dbraw/zinc/46/00/52/1088460052.db2.gz FMTDVUGBPVHVNQ-UHFFFAOYSA-N -1 0 374.396 4.104 20 30 FIEDRM N#CC(=C([O-])c1cnc(-c2ccccn2)s1)c1ccc(C(F)(F)F)cn1 ZINC000136156591 1089087506 /nfs/dbraw/zinc/08/75/06/1089087506.db2.gz ICZBBNDUDBMGDY-NSHDSACASA-N -1 0 374.347 4.109 20 30 FIEDRM C[C@H](Oc1cccc(/C=C\C(=O)c2cccc(C(F)(F)F)c2)c1)C(=O)[O-] ZINC000208115272 1089417632 /nfs/dbraw/zinc/41/76/32/1089417632.db2.gz JZITVPPBMQESJJ-LAUAKBEESA-N -1 0 364.319 4.453 20 30 FIEDRM CC(=Cc1ccc(-c2ccccc2F)s1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435334812 1089540431 /nfs/dbraw/zinc/54/04/31/1089540431.db2.gz CPPHTALUFAHDKT-LUAWRHEFSA-N -1 0 351.406 4.378 20 30 FIEDRM COc1ccccc1SC[C@@H](C)C/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000728786324 1091079248 /nfs/dbraw/zinc/07/92/48/1091079248.db2.gz YSTNSPWPYKGXCL-MDBUFAAASA-N -1 0 360.435 4.156 20 30 FIEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1ccc(C#N)c(Cl)c1 ZINC000123737235 1091208326 /nfs/dbraw/zinc/20/83/26/1091208326.db2.gz WKJMHMXLWKMHME-HNNXBMFYSA-N -1 0 361.788 4.207 20 30 FIEDRM N#CC(=C([O-])c1ccc(OC(F)(F)Cl)cc1)c1nc2ccccc2o1 ZINC000193820296 1091322891 /nfs/dbraw/zinc/32/28/91/1091322891.db2.gz KRRCREJAKXVWIH-GFCCVEGCSA-N -1 0 362.719 4.486 20 30 FIEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000066856373 1091361467 /nfs/dbraw/zinc/36/14/67/1091361467.db2.gz NWJLHGCJZMRDEG-ZDUSSCGKSA-N -1 0 363.442 4.175 20 30 FIEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000066856374 1091361617 /nfs/dbraw/zinc/36/16/17/1091361617.db2.gz NWJLHGCJZMRDEG-CYBMUJFWSA-N -1 0 363.442 4.175 20 30 FIEDRM CC1=CC(=O)C(=C([O-])C=Cc2c(Cl)cccc2SC(C)C)C(=O)O1 ZINC000195333114 1091492266 /nfs/dbraw/zinc/49/22/66/1091492266.db2.gz DOWUSHGCBMMSFL-OZSKJFCKSA-N -1 0 364.850 4.069 20 30 FIEDRM CCc1c(C)nn(-c2cccc(C([O-])=C(C#N)c3nc(C)cs3)c2)c1C ZINC000500467512 1092105464 /nfs/dbraw/zinc/10/54/64/1092105464.db2.gz GAHGZXBDUZQNQH-GOSISDBHSA-N -1 0 364.474 4.307 20 30 FIEDRM CCCCCc1n[n-]c(=NC(=O)N[C@H](CCCC#N)c2ccccc2)s1 ZINC000432743707 1092240502 /nfs/dbraw/zinc/24/05/02/1092240502.db2.gz YKGZQCAZJHWOJN-MRXNPFEDSA-N -1 0 371.510 4.249 20 30 FIEDRM CCO[C@H](C)c1ncc(C([O-])=C(C#N)c2nc3ccccc3s2)s1 ZINC000442622031 1092702658 /nfs/dbraw/zinc/70/26/58/1092702658.db2.gz VLYMVPDRNXIIMG-MNOVXSKESA-N -1 0 357.460 4.340 20 30 FIEDRM Cc1ccc([N+](=O)[O-])c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c1 ZINC000442672739 1092716109 /nfs/dbraw/zinc/71/61/09/1092716109.db2.gz JRKFLWVIHYMXJH-LBPRGKRZSA-N -1 0 370.315 4.138 20 30 FIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cnn(C)c3C3CC3)n2)cc1 ZINC000147164514 1092730600 /nfs/dbraw/zinc/73/06/00/1092730600.db2.gz DXNFRNINLDKBCC-HNNXBMFYSA-N -1 0 362.458 4.220 20 30 FIEDRM C[C@@H](Sc1n[n-]c(=NCc2ccc(F)cc2)s1)c1cccc(C#N)c1 ZINC000442908593 1092858479 /nfs/dbraw/zinc/85/84/79/1092858479.db2.gz NTSYQNFNQVDNSR-GFCCVEGCSA-N -1 0 370.478 4.436 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)cc1[O-] ZINC000443068246 1092927045 /nfs/dbraw/zinc/92/70/45/1092927045.db2.gz VVBGYZNSJDTGRE-UHFFFAOYSA-N -1 0 369.380 4.248 20 30 FIEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C\c1ccc(OC(F)F)c(Cl)c1 ZINC000521837166 1092948103 /nfs/dbraw/zinc/94/81/03/1092948103.db2.gz NTCJYBTYUZMVPW-RJRFIUFISA-N -1 0 350.708 4.077 20 30 FIEDRM N#Cc1ccc(C(=O)N2CCc3cc(-c4cccc(F)c4)ccc32)cc1[O-] ZINC000443289136 1093036192 /nfs/dbraw/zinc/03/61/92/1093036192.db2.gz COMXDNPDZYQKNR-UHFFFAOYSA-N -1 0 358.372 4.273 20 30 FIEDRM CC(C)n1cc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)nn1 ZINC000429678127 1093206042 /nfs/dbraw/zinc/20/60/42/1093206042.db2.gz AUSADPSKICHEGD-CYBMUJFWSA-N -1 0 371.853 4.126 20 30 FIEDRM N#CC(=C([O-])c1cnc(-c2ccccc2)nc1)c1nc2ccccc2s1 ZINC000522231821 1093224726 /nfs/dbraw/zinc/22/47/26/1093224726.db2.gz HOVNDLPYNDYGSP-OAHLLOKOSA-N -1 0 356.410 4.243 20 30 FIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cn4ccnc4s3)n2)cc1 ZINC000443525902 1093239289 /nfs/dbraw/zinc/23/92/89/1093239289.db2.gz FVTBULNBCHLJHU-CYBMUJFWSA-N -1 0 364.455 4.318 20 30 FIEDRM CC(C)(C)c1nc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cs1 ZINC000522274141 1093261024 /nfs/dbraw/zinc/26/10/24/1093261024.db2.gz KJXOXJNHWXRIDG-GFCCVEGCSA-N -1 0 368.487 4.449 20 30 FIEDRM CSc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000114621092 1093659913 /nfs/dbraw/zinc/65/99/13/1093659913.db2.gz HTEFCOYOIHFACD-OAHLLOKOSA-N -1 0 351.456 4.417 20 30 FIEDRM CC(C)Cc1nc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cs1 ZINC000114620722 1093660055 /nfs/dbraw/zinc/66/00/55/1093660055.db2.gz ZARQASFGEXPHGG-ZDUSSCGKSA-N -1 0 368.487 4.350 20 30 FIEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000473491485 1093704359 /nfs/dbraw/zinc/70/43/59/1093704359.db2.gz VQXAZXRMWMGDQT-UHFFFAOYSA-N -1 0 369.899 4.204 20 30 FIEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000216142716 1093705074 /nfs/dbraw/zinc/70/50/74/1093705074.db2.gz ZXVLCVYMFKABRO-UHFFFAOYSA-N -1 0 361.637 4.319 20 30 FIEDRM N#CC(=C([O-])c1ccc(C#N)o1)c1nc(-c2c(F)cccc2F)cs1 ZINC000429690950 1093797596 /nfs/dbraw/zinc/79/75/96/1093797596.db2.gz ATLWAVFVOBNOOY-JTQLQIEISA-N -1 0 355.325 4.043 20 30 FIEDRM COc1ccc2oc(C(=O)/C=C/c3ccc([N+](=O)[O-])c([O-])c3)c(C)c2c1 ZINC000729150526 1093935139 /nfs/dbraw/zinc/93/51/39/1093935139.db2.gz KTLUTQIFMSOFPA-QPJJXVBHSA-N -1 0 353.330 4.260 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2OCc2csc(C)n2)n1 ZINC000513652583 1094254497 /nfs/dbraw/zinc/25/44/97/1094254497.db2.gz AWHXFHZFFDCNJI-HNNXBMFYSA-N -1 0 369.471 4.286 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cc3cc(Br)ccc3o2)n1 ZINC000041515330 1094640025 /nfs/dbraw/zinc/64/00/25/1094640025.db2.gz TYWYJAOQCWIXSA-NSHDSACASA-N -1 0 361.220 4.450 20 30 FIEDRM N#CC(=C([O-])c1cc2cc([N+](=O)[O-])ccc2s1)c1nc2ccccc2o1 ZINC000041544932 1094923483 /nfs/dbraw/zinc/92/34/83/1094923483.db2.gz RDFFJFKNZJQCDP-GFCCVEGCSA-N -1 0 363.354 4.441 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)ccc1[N+](=O)[O-] ZINC000041558810 1094991930 /nfs/dbraw/zinc/99/19/30/1094991930.db2.gz RQWGHCAWOIAFQG-LBPRGKRZSA-N -1 0 370.315 4.138 20 30 FIEDRM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000330217735 1095420977 /nfs/dbraw/zinc/42/09/77/1095420977.db2.gz ITWSIPGPZLANAD-NOZJJQNGSA-N -1 0 360.635 4.377 20 30 FIEDRM O=C(Nc1cc(F)c(F)cc1N1CCCCC1)c1s[n-]c(=O)c1Cl ZINC000330246235 1095433852 /nfs/dbraw/zinc/43/38/52/1095433852.db2.gz YCRHZEQJIRFHIC-UHFFFAOYSA-N -1 0 373.812 4.407 20 30 FIEDRM Cc1nc(-c2ccc(CC/N=C/c3cc([N+](=O)[O-])ccc3[O-])s2)cs1 ZINC000016703007 1096327765 /nfs/dbraw/zinc/32/77/65/1096327765.db2.gz BRVFUUOARMIZJG-GIJQJNRQSA-N -1 0 373.459 4.455 20 30 FIEDRM CSc1ccccc1S(=O)(=O)[N-]c1ccc(C#N)c(C(F)(F)F)c1 ZINC000436005305 1098642836 /nfs/dbraw/zinc/64/28/36/1098642836.db2.gz GWCMHPIKKDNTGN-UHFFFAOYSA-N -1 0 372.393 4.100 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc3sccc3s2)n1 ZINC000516347015 1099397445 /nfs/dbraw/zinc/39/74/45/1099397445.db2.gz WSQDZJNJRQJITJ-MRVPVSSYSA-N -1 0 362.457 4.086 20 30 FIEDRM Cn1cc(/C=C(\CC(=O)[O-])c2nc3cc(Cl)ccc3s2)cc1C#N ZINC000516829965 1099836867 /nfs/dbraw/zinc/83/68/67/1099836867.db2.gz IKWAMPRWHMWPOH-NYYWCZLTSA-N -1 0 357.822 4.175 20 30 FIEDRM CC[C@H](C)Sc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)c(C)c1 ZINC000517613161 1100545457 /nfs/dbraw/zinc/54/54/57/1100545457.db2.gz IWVXDHMBXTZMJW-LBPRGKRZSA-N -1 0 350.465 4.151 20 30 FIEDRM N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000546088398 1100599860 /nfs/dbraw/zinc/59/98/60/1100599860.db2.gz OIGRDRBTXCFXQY-UHFFFAOYSA-N -1 0 360.797 4.305 20 30 FIEDRM CCC1(CC)CN(C(=O)c2cc(C#N)c(SC)[n-]c2=O)c2ccccc21 ZINC000506210525 1100609190 /nfs/dbraw/zinc/60/91/90/1100609190.db2.gz WKLPWTGLRIJRLM-UHFFFAOYSA-N -1 0 367.474 4.099 20 30 FIEDRM N#CC(=C([O-])c1ccc2ccccc2n1)c1nc(-c2ccncc2)cs1 ZINC000517891569 1100769352 /nfs/dbraw/zinc/76/93/52/1100769352.db2.gz RAWGRDPTRZHTLZ-OAHLLOKOSA-N -1 0 356.410 4.243 20 30 FIEDRM N#CC(=C([O-])c1c[nH]nc1-c1ccc(F)cc1)c1nc2ccccc2s1 ZINC000509543788 1100941221 /nfs/dbraw/zinc/94/12/21/1100941221.db2.gz WDAYNJSBXHVZKU-CYBMUJFWSA-N -1 0 362.389 4.316 20 30 FIEDRM O=C1c2ccc(Br)cc2C/C1=C\c1cc(F)c([O-])c(F)c1 ZINC000760230835 1101906482 /nfs/dbraw/zinc/90/64/82/1101906482.db2.gz XYNBBAGHHNRKBP-XCVCLJGOSA-N -1 0 351.146 4.255 20 30 FIEDRM O=C(CCc1ccc2ccccc2c1)[N-]S(=O)(=O)c1ccccc1F ZINC000054428807 1102238446 /nfs/dbraw/zinc/23/84/46/1102238446.db2.gz JBFHASMCEZOULS-UHFFFAOYSA-N -1 0 357.406 4.257 20 30 FIEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1sc2ccccc2c1Cl ZINC000126645286 1102287831 /nfs/dbraw/zinc/28/78/31/1102287831.db2.gz TVKPYMDXZNICGD-CQSZACIVSA-N -1 0 368.845 4.194 20 30 FIEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1csc(-c2ccccc2)n1 ZINC000122869175 1102621879 /nfs/dbraw/zinc/62/18/79/1102621879.db2.gz UCUKKUMWJDUPPN-CQSZACIVSA-N -1 0 358.426 4.187 20 30 FIEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(-c2ccccc2)cnc1C ZINC000550969025 1102735523 /nfs/dbraw/zinc/73/55/23/1102735523.db2.gz JENVEOVOBZDPEV-UHFFFAOYSA-N -1 0 363.442 4.038 20 30 FIEDRM C=CCCCCCN(C)C(=O)N=c1nc(-c2sccc2C)[n-]s1 ZINC000473827408 1102874128 /nfs/dbraw/zinc/87/41/28/1102874128.db2.gz UOFWGDWVJZLCIW-UHFFFAOYSA-N -1 0 350.513 4.207 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cc(Br)co2)s1 ZINC000459347082 1102875754 /nfs/dbraw/zinc/87/57/54/1102875754.db2.gz KMLHLONTJDTZNJ-VIFPVBQESA-N -1 0 353.241 4.286 20 30 FIEDRM CC(C)[C@H](SCc1ccccc1)C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000067599888 1103002984 /nfs/dbraw/zinc/00/29/84/1103002984.db2.gz UBSCMYDMDLKZPD-HNNXBMFYSA-N -1 0 369.533 4.351 20 30 FIEDRM N#Cc1cc(N)c(Nc2cc(Cl)cc(C(=O)[O-])c2)cc1C(F)(F)F ZINC001211969660 1103045606 /nfs/dbraw/zinc/04/56/06/1103045606.db2.gz UGIMCHMHGOEUQY-UHFFFAOYSA-N -1 0 355.703 4.254 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2cnn(C)c2-c2ccccc2)n1 ZINC000538176707 1104009489 /nfs/dbraw/zinc/00/94/89/1104009489.db2.gz MIVIOUYJKPKCGY-AWEZNQCLSA-N -1 0 350.447 4.157 20 30 FIEDRM C=CCC[C@H](NC(=O)CC(C)(C)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000441368215 1104311860 /nfs/dbraw/zinc/31/18/60/1104311860.db2.gz YYNNLGJFKUBQKO-AWEZNQCLSA-N -1 0 357.372 4.330 20 30 FIEDRM COCc1ccc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)o1 ZINC000520429190 1104409026 /nfs/dbraw/zinc/40/90/26/1104409026.db2.gz JNFSHDYMHDCINB-LLVKDONJSA-N -1 0 374.368 4.318 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cnc([C@H]3CCCO3)s2)s1 ZINC000520484075 1104889343 /nfs/dbraw/zinc/88/93/43/1104889343.db2.gz JUDBRQIOYXROMM-GHMZBOCLSA-N -1 0 361.492 4.239 20 30 FIEDRM C=CCCCS(=O)(=O)[N-]c1nc(-c2ccc(OC)c(Cl)c2)cs1 ZINC000427773877 1105272247 /nfs/dbraw/zinc/27/22/47/1105272247.db2.gz NOKCFDLHIBCPJO-UHFFFAOYSA-N -1 0 372.899 4.180 20 30 FIEDRM Cc1ncc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)s1 ZINC000508208318 1105352084 /nfs/dbraw/zinc/35/20/84/1105352084.db2.gz YDMRCVIIUBYZCJ-VIFPVBQESA-N -1 0 361.398 4.343 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)c(C)n1C1CCCCC1 ZINC000127381443 1107153182 /nfs/dbraw/zinc/15/31/82/1107153182.db2.gz QSTTYVVHZQMSOS-HXUWFJFHSA-N -1 0 369.509 4.382 20 30 FIEDRM CCCc1sc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc1CC ZINC000530947010 1107418958 /nfs/dbraw/zinc/41/89/58/1107418958.db2.gz QASSYNUIZMNVQR-ZDUSSCGKSA-N -1 0 352.463 4.333 20 30 FIEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1sc2ccccc2c1Cl ZINC000127243351 1107797511 /nfs/dbraw/zinc/79/75/11/1107797511.db2.gz LYPRVQXDPNKCDF-CYBMUJFWSA-N -1 0 360.866 4.326 20 30 FIEDRM Cn1nc(-c2ccccc2)cc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000453779834 1108735055 /nfs/dbraw/zinc/73/50/55/1108735055.db2.gz NLTXIHRORNYFSQ-CQSZACIVSA-N -1 0 364.474 4.331 20 30 FIEDRM Cc1ccsc1S(=O)(=O)[N-]c1ccccc1SC[C@@H](C)C#N ZINC000525534707 1109414905 /nfs/dbraw/zinc/41/49/05/1109414905.db2.gz OJOOPCHYIFMIKC-NSHDSACASA-N -1 0 352.506 4.109 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(C(C)=O)o3)n2)cc1 ZINC000447520354 1109559420 /nfs/dbraw/zinc/55/94/20/1109559420.db2.gz JXJFXMUHWGNAMV-CQSZACIVSA-N -1 0 366.398 4.104 20 30 FIEDRM Cc1cccnc1C([O-])=C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000429725292 1109607069 /nfs/dbraw/zinc/60/70/69/1109607069.db2.gz OPDWPTUOVBOYEN-LLVKDONJSA-N -1 0 355.369 4.282 20 30 FIEDRM CCOc1ccc(F)c([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)c1F ZINC000448192579 1109739706 /nfs/dbraw/zinc/73/97/06/1109739706.db2.gz YTNGIFHLEVZZEL-UHFFFAOYSA-N -1 0 369.327 4.142 20 30 FIEDRM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(CCC#N)CC(C)(C)C)n2)c1 ZINC000477776578 1111253575 /nfs/dbraw/zinc/25/35/75/1111253575.db2.gz KNUMWKQBQOJAJY-UHFFFAOYSA-N -1 0 368.481 4.103 20 30 FIEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)sc1C ZINC000539117627 1111438928 /nfs/dbraw/zinc/43/89/28/1111438928.db2.gz MGRUGSXSAHOLKH-UHFFFAOYSA-N -1 0 360.382 4.056 20 30 FIEDRM CSc1ccc([N+](=O)[O-])c(C([O-])=C(C#N)c2nc3ccccc3s2)c1 ZINC000041501338 1111520168 /nfs/dbraw/zinc/52/01/68/1111520168.db2.gz OQFSSMMPSDOEMZ-GFCCVEGCSA-N -1 0 369.427 4.416 20 30 FIEDRM Cc1nc(-c2ccccc2C)sc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000477829820 1111575783 /nfs/dbraw/zinc/57/57/83/1111575783.db2.gz KXWWMXARQFJIGG-MRXNPFEDSA-N -1 0 362.458 4.324 20 30 FIEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C\c1cc(Br)c(Cl)s1 ZINC000478926498 1111913745 /nfs/dbraw/zinc/91/37/45/1111913745.db2.gz WAWXUOARJTXOGY-RQOWECAXSA-N -1 0 369.627 4.299 20 30 FIEDRM CSc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1C ZINC000479514807 1112056914 /nfs/dbraw/zinc/05/69/14/1112056914.db2.gz WZOFASIZKJRYHD-UHFFFAOYSA-N -1 0 352.868 4.043 20 30 FIEDRM Cc1n[nH]cc1C([O-])=C(C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000554007206 1112160254 /nfs/dbraw/zinc/16/02/54/1112160254.db2.gz VEWMGOANPKUNCT-XACAWQSSSA-N -1 0 366.490 4.133 20 30 FIEDRM Cc1nn(-c2ccccc2)cc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000483195995 1113461870 /nfs/dbraw/zinc/46/18/70/1113461870.db2.gz JUJHPUMGJZAVCN-LJQANCHMSA-N -1 0 352.397 4.219 20 30 FIEDRM Cc1noc(-c2ccccc2C([O-])=C(C#N)c2nccc3ccccc32)n1 ZINC000483195712 1113461930 /nfs/dbraw/zinc/46/19/30/1113461930.db2.gz IRIFCYLIZFRWBF-SFHVURJKSA-N -1 0 354.369 4.083 20 30 FIEDRM Cc1onc(-c2ccncc2)c1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000483207806 1113465630 /nfs/dbraw/zinc/46/56/30/1113465630.db2.gz WLELAFNMMOGHPS-QGZVFWFLSA-N -1 0 354.369 4.083 20 30 FIEDRM COCc1c2ccccc2oc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000483210237 1113466160 /nfs/dbraw/zinc/46/61/60/1113466160.db2.gz LRXHJUXYLDZZER-CQSZACIVSA-N -1 0 357.369 4.012 20 30 FIEDRM C=C[C@@H](CC(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1)c1ccccc1 ZINC000910728631 1113898460 /nfs/dbraw/zinc/89/84/60/1113898460.db2.gz VLJDNMZWWBROHX-GOEBONIOSA-N -1 0 370.474 4.173 20 30 FIEDRM N#Cc1cc(O)cc(C(=O)N[C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000587110516 1114413757 /nfs/dbraw/zinc/41/37/57/1114413757.db2.gz GWOLSZJKXUYSOX-ZWKOTPCHSA-N -1 0 374.362 4.349 20 30 FIEDRM COc1cc(/C=C/C(=O)c2ccc3ccccc3c2[O-])ccc1OCC#N ZINC000156608943 1114470618 /nfs/dbraw/zinc/47/06/18/1114470618.db2.gz KCOPIEABPKXTGI-UXBLZVDNSA-N -1 0 359.381 4.352 20 30 FIEDRM Cc1nn(-c2ccccc2)cc1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000588348686 1114576259 /nfs/dbraw/zinc/57/62/59/1114576259.db2.gz WECNUQUIICPALZ-OAHLLOKOSA-N -1 0 358.426 4.281 20 30 FIEDRM C=CCOc1ccc(C(=O)N=c2[n-]nc(-c3cccc(Cl)c3)s2)cc1 ZINC000589916068 1114865323 /nfs/dbraw/zinc/86/53/23/1114865323.db2.gz LPSBYHJAWPGUBG-UHFFFAOYSA-N -1 0 371.849 4.098 20 30 FIEDRM N#Cc1ccc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000045774662 1115066542 /nfs/dbraw/zinc/06/65/42/1115066542.db2.gz WJABBHRAVIQDAT-UHFFFAOYSA-N -1 0 361.637 4.319 20 30 FIEDRM CC(C)(C)OC(=O)c1cccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1 ZINC000592399553 1115223528 /nfs/dbraw/zinc/22/35/28/1115223528.db2.gz VQSZQWMUNRPJGK-OAHLLOKOSA-N -1 0 368.458 4.466 20 30 FIEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cccc(Oc2ccccc2)c1 ZINC000058707737 1115309531 /nfs/dbraw/zinc/30/95/31/1115309531.db2.gz NFBPJRDGVWYOSC-UHFFFAOYSA-N -1 0 350.399 4.151 20 30 FIEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\C2CCC(O)(c3ccccc3)CC2)c1[O-] ZINC000761015908 1115314264 /nfs/dbraw/zinc/31/42/64/1115314264.db2.gz RXFDMHICSWWMLX-MTJSOVHGSA-N -1 0 374.824 4.203 20 30 FIEDRM CSc1[n-]c(=O)c(C(=O)N(C)C2CC(C)(C)CC(C)(C)C2)cc1C#N ZINC000598098122 1115705860 /nfs/dbraw/zinc/70/58/60/1115705860.db2.gz RXFVDDZYPIMONY-UHFFFAOYSA-N -1 0 361.511 4.058 20 30 FIEDRM CCc1ccc(-c2ccc(C([O-])=C(C#N)C(=O)NC3CCCCC3)o2)cc1 ZINC000173962207 1116101680 /nfs/dbraw/zinc/10/16/80/1116101680.db2.gz ILMDRIBGYWSGPO-SFHVURJKSA-N -1 0 364.445 4.280 20 30 FIEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccccc1NC1CCCCC1 ZINC000534289692 1116180610 /nfs/dbraw/zinc/18/06/10/1116180610.db2.gz VDBDTYVVTCVERZ-UHFFFAOYSA-N -1 0 355.463 4.104 20 30 FIEDRM CCc1cc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)n[nH]1 ZINC000122290535 1116355107 /nfs/dbraw/zinc/35/51/07/1116355107.db2.gz IAOYDEUTDJJOOF-ZDUSSCGKSA-N -1 0 356.838 4.239 20 30 FIEDRM CCC(CC)n1nc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cc1C ZINC000540685429 1118185547 /nfs/dbraw/zinc/18/55/47/1118185547.db2.gz XYCBAGKITHSZQQ-AWEZNQCLSA-N -1 0 364.371 4.457 20 30 FIEDRM CCCOc1nc(C)ccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464417022 1118549453 /nfs/dbraw/zinc/54/94/53/1118549453.db2.gz ALQFMRYLMWKCBQ-AWEZNQCLSA-N -1 0 363.339 4.083 20 30 FIEDRM CO[C@@H](C)c1nc(C)c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)s1 ZINC000464426566 1118561191 /nfs/dbraw/zinc/56/11/91/1118561191.db2.gz NMSTXGCJAGWSNN-ONGXEEELSA-N -1 0 369.368 4.063 20 30 FIEDRM CSc1c(F)cccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464467965 1118573031 /nfs/dbraw/zinc/57/30/31/1118573031.db2.gz OLBVMHSLCKQPOP-LLVKDONJSA-N -1 0 354.328 4.451 20 30 FIEDRM N#CC(=C([O-])c1cnc(-c2ccncc2)s1)c1cc(C(F)(F)F)ccn1 ZINC000464479388 1118584262 /nfs/dbraw/zinc/58/42/62/1118584262.db2.gz WGCPVVIKIPSNEH-GFCCVEGCSA-N -1 0 374.347 4.109 20 30 FIEDRM CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cc(C#N)ccc2[O-])c1 ZINC000176401034 1119002169 /nfs/dbraw/zinc/00/21/69/1119002169.db2.gz HVAGDMIBMSLZTA-UHFFFAOYSA-N -1 0 371.824 4.154 20 30 FIEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1ccc(Cl)nc1Cl)CC2 ZINC000761477610 1119158992 /nfs/dbraw/zinc/15/89/92/1119158992.db2.gz OAYSULRDXDTZPQ-SOFGYWHQSA-N -1 0 352.173 4.201 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3nc(C)sc3C)n2)cc1 ZINC000178731545 1119405167 /nfs/dbraw/zinc/40/51/67/1119405167.db2.gz WZUGDAAVTLUQEQ-CQSZACIVSA-N -1 0 369.471 4.382 20 30 FIEDRM CCc1c(C([O-])=C(C#N)c2nc3ccccc3o2)cnn1-c1ccccc1C ZINC000187486116 1119786052 /nfs/dbraw/zinc/78/60/52/1119786052.db2.gz IPNDCWCMDGSCOF-HNNXBMFYSA-N -1 0 370.412 4.374 20 30 FIEDRM N#CC(=C([O-])c1cc(F)cc(Cl)c1)c1nc(-c2ccncc2)cs1 ZINC000465417446 1119973534 /nfs/dbraw/zinc/97/35/34/1119973534.db2.gz NYHJXYBSZIPQAZ-AWEZNQCLSA-N -1 0 357.797 4.488 20 30 FIEDRM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000191568538 1119984452 /nfs/dbraw/zinc/98/44/52/1119984452.db2.gz TVVCNISFOGLDGA-UHFFFAOYSA-N -1 0 360.435 4.248 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H](C)c1c(F)cccc1F ZINC000153137291 1120019986 /nfs/dbraw/zinc/01/99/86/1120019986.db2.gz SLMUCEZYMHUJHE-SMDDNHRTSA-N -1 0 366.367 4.450 20 30 FIEDRM Cn1cc(Cl)cc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000193775216 1120190562 /nfs/dbraw/zinc/19/05/62/1120190562.db2.gz ZRUSLVZRBSFMGA-SNVBAGLBSA-N -1 0 350.230 4.432 20 30 FIEDRM Cn1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c2ccccc21 ZINC000194181309 1120247351 /nfs/dbraw/zinc/24/73/51/1120247351.db2.gz MSZNKPFUOWVSQP-HNNXBMFYSA-N -1 0 358.426 4.187 20 30 FIEDRM C=C[C@H](CC(=O)N[C@H](CC(=O)[O-])c1cccc(Cl)c1)c1ccccc1 ZINC000761900334 1120570548 /nfs/dbraw/zinc/57/05/48/1120570548.db2.gz XXGDQGSOMWBBBR-RDTXWAMCSA-N -1 0 357.837 4.332 20 30 FIEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1cccc([C@@H]2CCOC2)c1 ZINC000762019265 1120653445 /nfs/dbraw/zinc/65/34/45/1120653445.db2.gz RTNZCUXYFNOTFF-MJGOQNOKSA-N -1 0 372.424 4.186 20 30 FIEDRM N#CC(=C([O-])C1=Cc2cc(F)ccc2OC1)c1nc2cc(F)ccc2s1 ZINC000762062265 1120680801 /nfs/dbraw/zinc/68/08/01/1120680801.db2.gz GZEYWKRWXZJBSW-CQSZACIVSA-N -1 0 368.364 4.227 20 30 FIEDRM CCCCOc1ccc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)cc1OC ZINC000915105718 1120815303 /nfs/dbraw/zinc/81/53/03/1120815303.db2.gz BCWOSYXULDSBCB-XFFZJAGNSA-N -1 0 368.429 4.397 20 30 FIEDRM CC(=NNc1cccc(C(=O)[O-])c1)c1ccc(F)cc1Br ZINC000763104442 1121117373 /nfs/dbraw/zinc/11/73/73/1121117373.db2.gz DRFSGWKTPRECHE-UHFFFAOYSA-N -1 0 351.175 4.123 20 30 FIEDRM Cc1cc(C)c2c(c1)C(=O)/C(=C/c1cccc(OCCC(=O)[O-])c1)CCO2 ZINC000763115899 1121134536 /nfs/dbraw/zinc/13/45/36/1121134536.db2.gz HEJRKUFONWREBH-SFQUDFHCSA-N -1 0 366.413 4.206 20 30 FIEDRM CC(C)(C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000075777857 1121315731 /nfs/dbraw/zinc/31/57/31/1121315731.db2.gz ALRMDRCEXWURIT-UHFFFAOYSA-N -1 0 353.443 4.463 20 30 FIEDRM COc1ccc2oc(/C=C\C(=O)c3cccc(O[C@@H](C)C(=O)[O-])c3)cc2c1 ZINC000763290493 1121319840 /nfs/dbraw/zinc/31/98/40/1121319840.db2.gz QNNOLRAASAGZKD-WOLRVDTOSA-N -1 0 366.369 4.189 20 30 FIEDRM Cc1cc(O)cc2c1C(=O)C(=N[N-]c1nc(Cl)c(Cl)cc1Cl)O2 ZINC000915946750 1121352514 /nfs/dbraw/zinc/35/25/14/1121352514.db2.gz RUOHWDZQLXXDQO-UHFFFAOYSA-N -1 0 372.595 4.057 20 30 FIEDRM O=C([O-])CCOc1ccc(CN=Nc2nc(-c3ccccc3)cs2)cc1 ZINC000915956662 1121353164 /nfs/dbraw/zinc/35/31/64/1121353164.db2.gz YQXYRXZGUMHBJB-UHFFFAOYSA-N -1 0 367.430 4.110 20 30 FIEDRM CC(C)Oc1ccc(C(=O)/C=C\c2ccc(OCCC(=O)[O-])cc2)cc1 ZINC000915986087 1121366246 /nfs/dbraw/zinc/36/62/46/1121366246.db2.gz UPJYQNYVBHOXEA-XGICHPGQSA-N -1 0 354.402 4.223 20 30 FIEDRM COc1ccc(C(=O)/C=C/c2ccc(OC(C)C)cc2)cc1CC(=O)[O-] ZINC000915986169 1121366428 /nfs/dbraw/zinc/36/64/28/1121366428.db2.gz YQCJWKDSWHCADO-UXBLZVDNSA-N -1 0 354.402 4.006 20 30 FIEDRM Cc1nc(C(C)(C)C)sc1C(=O)/C=C\c1ccc(OCC(=O)[O-])cc1 ZINC000915987707 1121367185 /nfs/dbraw/zinc/36/71/85/1121367185.db2.gz JICHDBCUMUBBES-YFHOEESVSA-N -1 0 359.447 4.109 20 30 FIEDRM CC(=O)c1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cs1 ZINC000496353747 1121413884 /nfs/dbraw/zinc/41/38/84/1121413884.db2.gz AWGJYJBKPZPUHN-LLVKDONJSA-N -1 0 359.357 4.186 20 30 FIEDRM CC(C)c1ccc(/C=C/C(=O)c2ccc([O-])c(CN3CCOCC3)c2)cc1 ZINC000916129950 1121419037 /nfs/dbraw/zinc/41/90/37/1121419037.db2.gz CTABRMJXPZZXPS-WEVVVXLNSA-N -1 0 365.473 4.244 20 30 FIEDRM O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000916128948 1121419425 /nfs/dbraw/zinc/41/94/25/1121419425.db2.gz LSSZPMFDIKRXON-YWEYNIOJSA-N -1 0 370.380 4.326 20 30 FIEDRM O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(N2CCCCC2)cc1 ZINC000916154244 1121429137 /nfs/dbraw/zinc/42/91/37/1121429137.db2.gz FHGTVGWCNVILCZ-ONNFQVAWSA-N -1 0 352.390 4.187 20 30 FIEDRM Cc1nn(-c2ccccc2)c(C)c1C=NNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000916259947 1121454426 /nfs/dbraw/zinc/45/44/26/1121454426.db2.gz VMDPWRMKAQTHFK-UHFFFAOYSA-N -1 0 368.824 4.287 20 30 FIEDRM O=C([O-])COc1ccc(C=NN=C(c2ccccc2)c2ccccc2)cc1 ZINC000916263923 1121458109 /nfs/dbraw/zinc/45/81/09/1121458109.db2.gz JLQHVTQPKNMKOA-UHFFFAOYSA-N -1 0 358.397 4.022 20 30 FIEDRM COc1cc(/C=C2\Cc3ccc(Cl)cc3C2=O)ccc1OCCC(=O)[O-] ZINC000763372696 1121504126 /nfs/dbraw/zinc/50/41/26/1121504126.db2.gz DUARQNHUISEHFX-RIYZIHGNSA-N -1 0 372.804 4.025 20 30 FIEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cccc(Oc2ccccc2)c1 ZINC000916875299 1121905581 /nfs/dbraw/zinc/90/55/81/1121905581.db2.gz XLMFHUJPYWRWLO-LJQANCHMSA-N -1 0 350.418 4.108 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(SC(F)(F)F)cc1 ZINC000916876042 1121906641 /nfs/dbraw/zinc/90/66/41/1121906641.db2.gz OEFWEXVPEDIXLI-AWEZNQCLSA-N -1 0 372.412 4.317 20 30 FIEDRM Cc1cccc2sc(C([O-])=C(C#N)C(=O)NC3CCCC3)c(Cl)c21 ZINC000917045102 1122013356 /nfs/dbraw/zinc/01/33/56/1122013356.db2.gz QXGVHQOZJLXTOH-GFCCVEGCSA-N -1 0 360.866 4.244 20 30 FIEDRM CC(C)c1cc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)n[nH]1 ZINC000066545246 1122071913 /nfs/dbraw/zinc/07/19/13/1122071913.db2.gz RUCSPHWZLYZWSI-AWEZNQCLSA-N -1 0 361.430 4.018 20 30 FIEDRM CCCCc1oc2ccccc2c1C=CC([O-])=C1C(=O)C=C(C)OC1=O ZINC000917209872 1122224149 /nfs/dbraw/zinc/22/41/49/1122224149.db2.gz BIBNCWMNPBVLEZ-PISNEZEASA-N -1 0 352.386 4.004 20 30 FIEDRM COc1ccc(C(=O)/C=C\c2ccc(-c3ccccc3)o2)cc1CC(=O)[O-] ZINC000917519246 1122344841 /nfs/dbraw/zinc/34/48/41/1122344841.db2.gz MHPCTSZJRYBSEI-NTMALXAHSA-N -1 0 362.381 4.478 20 30 FIEDRM CC(=NNc1[n-]cnc2ncnc1-2)c1ccc(SC2CCCC2)cc1 ZINC000917556301 1122360272 /nfs/dbraw/zinc/36/02/72/1122360272.db2.gz ZXHPRDZFCKNQDY-UHFFFAOYSA-N -1 0 352.467 4.224 20 30 FIEDRM O=[N+]([O-])c1cc(Cl)cc(C=Nc2ccc(N3CCCC3)c(F)c2)c1[O-] ZINC000917557459 1122361744 /nfs/dbraw/zinc/36/17/44/1122361744.db2.gz NFFABESAJIVIIW-UHFFFAOYSA-N -1 0 363.776 4.444 20 30 FIEDRM N#CC(=C([O-])c1ccc(Sc2ccccc2Cl)nn1)c1ccccn1 ZINC000131971886 1123205590 /nfs/dbraw/zinc/20/55/90/1123205590.db2.gz YZOJPSCBAMHJGK-GFCCVEGCSA-N -1 0 366.833 4.166 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H](C)Oc1cccc(C)c1 ZINC000920102747 1123351009 /nfs/dbraw/zinc/35/10/09/1123351009.db2.gz YASGKGQKTMNXHU-CRAIPNDOSA-N -1 0 360.413 4.144 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])C=Cc2cc(C)c(C)cc2C)n1 ZINC000920328330 1123444312 /nfs/dbraw/zinc/44/43/12/1123444312.db2.gz RGBSHQTXCZDPJC-WLMCBFPDSA-N -1 0 368.458 4.135 20 30 FIEDRM Cc1cccc(C)c1OC[C@@H](O)C/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000920386504 1123450833 /nfs/dbraw/zinc/45/08/33/1123450833.db2.gz ATQBMHSNRKLACY-SJTXTDJHSA-N -1 0 368.260 4.175 20 30 FIEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\CCOc2ccccc2-c2ccccc2)c1 ZINC000920991600 1123543903 /nfs/dbraw/zinc/54/39/03/1123543903.db2.gz XRPGALFZACUFPW-JCMHNJIXSA-N -1 0 362.385 4.465 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cc(C)nc(-c3ccc(Cl)cc3)n2)n1 ZINC000136094582 1123838173 /nfs/dbraw/zinc/83/81/73/1123838173.db2.gz YPEVWWAZABEZSN-CQSZACIVSA-N -1 0 368.849 4.360 20 30 FIEDRM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000609984977 1123907417 /nfs/dbraw/zinc/90/74/17/1123907417.db2.gz HXRLOYIHTRASDD-UHFFFAOYSA-N -1 0 374.771 4.340 20 30 FIEDRM CC(C)c1cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)nn1C ZINC000080281874 1123961432 /nfs/dbraw/zinc/96/14/32/1123961432.db2.gz UVZAJTYHJFLSFH-LLVKDONJSA-N -1 0 358.854 4.297 20 30 FIEDRM CSc1ccc([N+](=O)[O-])c(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1 ZINC000080456636 1123966241 /nfs/dbraw/zinc/96/62/41/1123966241.db2.gz FQRXZDYRKOKMKU-LBPRGKRZSA-N -1 0 361.448 4.387 20 30 FIEDRM CC(C)C(=O)Nc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000080452796 1123966396 /nfs/dbraw/zinc/96/63/96/1123966396.db2.gz JIARMGSUABLTBP-OAHLLOKOSA-N -1 0 355.463 4.351 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(Cl)c(Cl)c2)n1 ZINC000067895700 1123983030 /nfs/dbraw/zinc/98/30/30/1123983030.db2.gz CRLNIUMAEBNZKI-SECBINFHSA-N -1 0 369.229 4.117 20 30 FIEDRM CC(C)(C)c1[n-]n(Cc2ncc(Cl)cc2Cl)c(=O)c1CCC#N ZINC000179690602 1124030076 /nfs/dbraw/zinc/03/00/76/1124030076.db2.gz XIKNDVBRNCTANU-UHFFFAOYSA-N -1 0 353.253 4.092 20 30 FIEDRM N#CCCSc1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000108250761 1124269311 /nfs/dbraw/zinc/26/93/11/1124269311.db2.gz KDQUJVHKIGWUTN-UHFFFAOYSA-N -1 0 370.858 4.286 20 30 FIEDRM O=C([N-]S(=O)(=O)c1ccc(F)cc1)C1(c2cccc(F)c2)CCCC1 ZINC000069525322 1124934953 /nfs/dbraw/zinc/93/49/53/1124934953.db2.gz YHYNLUSYYSAKNQ-UHFFFAOYSA-N -1 0 365.401 4.122 20 30 FIEDRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)CCc2cccs2)c1C ZINC000069604072 1125014656 /nfs/dbraw/zinc/01/46/56/1125014656.db2.gz UBBVJEMRIGTHNB-UHFFFAOYSA-N -1 0 351.493 4.260 20 30 FIEDRM N#CC(=C([O-])c1ccccc1OC1CC1)c1nc2cc(F)ccc2s1 ZINC000672583916 1125184833 /nfs/dbraw/zinc/18/48/33/1125184833.db2.gz MYLUNWQGIAYHGW-AWEZNQCLSA-N -1 0 352.390 4.467 20 30 FIEDRM CCCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000070030514 1125244118 /nfs/dbraw/zinc/24/41/18/1125244118.db2.gz GAGBWBSKFAWLFF-HNNXBMFYSA-N -1 0 350.484 4.341 20 30 FIEDRM C[C@@](CC(=O)[O-])(C(=O)N[C@H](CCCC#N)c1ccccc1)c1ccsc1 ZINC000601995136 567898894 /nfs/dbraw/zinc/89/88/94/567898894.db2.gz SKFPHJKCPHIKFW-XLIONFOSSA-N -1 0 370.474 4.032 20 30 FIEDRM CC(C)(C)c1[n-]n(Cc2cnc(-c3ccccc3)o2)c(=O)c1CCC#N ZINC000603420768 568095975 /nfs/dbraw/zinc/09/59/75/568095975.db2.gz OPPPKEMZCRRDCA-UHFFFAOYSA-N -1 0 350.422 4.046 20 30 FIEDRM C=C[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1)c1ccccc1 ZINC000431878299 939167032 /nfs/dbraw/zinc/16/70/32/939167032.db2.gz AIMSSCMAPIJMFM-AOMKIAJQSA-N -1 0 359.425 4.442 20 30 FIEDRM C=C(C)COc1cccc(NC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2C)c1 ZINC000574592291 939728018 /nfs/dbraw/zinc/72/80/18/939728018.db2.gz YCBIXGWDCFRFKK-LJQANCHMSA-N -1 0 368.433 4.206 20 30 FIEDRM CCC(CC)[C@H](c1ccc(Cl)cc1)N(C)C(=O)N=c1[n-]n(C)cc1C#N ZINC000619320099 1125561379 /nfs/dbraw/zinc/56/13/79/1125561379.db2.gz KCENLTTVELMZJW-QGZVFWFLSA-N -1 0 373.888 4.008 20 30 FIEDRM C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000183128788 1125754641 /nfs/dbraw/zinc/75/46/41/1125754641.db2.gz HRMOTNXBZMFBLG-LBPRGKRZSA-N -1 0 364.492 4.137 20 30 FIEDRM Nc1c(F)c(F)c(Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)c(F)c1F ZINC001211487771 1079550480 /nfs/dbraw/zinc/55/04/80/1079550480.db2.gz OECSRLPEGWXXKY-UHFFFAOYSA-N -1 0 368.208 4.286 20 30 FIEDRM CC(C)(C)n1ccc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)n1 ZINC000654971601 1079787012 /nfs/dbraw/zinc/78/70/12/1079787012.db2.gz FTKNEAWYYYWAMM-NSHDSACASA-N -1 0 358.854 4.391 20 30 FIEDRM N#Cc1ccccc1-c1ccc(CNC(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000186985378 1079827731 /nfs/dbraw/zinc/82/77/31/1079827731.db2.gz UROKMORJMNHQFL-UHFFFAOYSA-N -1 0 364.351 4.139 20 30 FIEDRM CC(C)CCC(C)N=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000748081370 1080115910 /nfs/dbraw/zinc/11/59/10/1080115910.db2.gz MQHFPQBOYRYCIA-UHFFFAOYSA-N -1 0 366.512 4.168 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])C=Cc2ccccc2OC(F)(F)F)n1 ZINC000255046156 1080519880 /nfs/dbraw/zinc/51/98/80/1080519880.db2.gz PEESGWZOSFICRX-DGMVEKRQSA-N -1 0 352.337 4.240 20 30 FIEDRM Cc1ccc(C(=O)CCC(=O)[N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1C ZINC000048473888 1081823990 /nfs/dbraw/zinc/82/39/90/1081823990.db2.gz CIEKIAGBZMSZIY-UHFFFAOYSA-N -1 0 373.474 4.229 20 30 FIEDRM C=CCN(C(=O)Nc1cccc(C)c1C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000683920663 1081915878 /nfs/dbraw/zinc/91/58/78/1081915878.db2.gz GCWVIJXGVHEUBH-LJQANCHMSA-N -1 0 352.434 4.019 20 30 FIEDRM O=C([N-]S(=O)(=O)C=Cc1ccccc1)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000050204878 1081921476 /nfs/dbraw/zinc/92/14/76/1081921476.db2.gz VYBBRAJJZMWOMT-YXWZHEERSA-N -1 0 361.850 4.401 20 30 FIEDRM CC(=O)Nc1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)ccc1F ZINC000430579297 1082514475 /nfs/dbraw/zinc/51/44/75/1082514475.db2.gz CCAPVECYNVDHDS-LBPRGKRZSA-N -1 0 359.426 4.028 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cc(-c3ccccc3)[nH]n2)s1 ZINC000430583795 1082525237 /nfs/dbraw/zinc/52/52/37/1082525237.db2.gz NIHJWPWZIRNNQP-ZDUSSCGKSA-N -1 0 350.447 4.321 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cnn1CCC(C)C ZINC000430598948 1082560625 /nfs/dbraw/zinc/56/06/25/1082560625.db2.gz FGFWFYWKZHMDCI-CQSZACIVSA-N -1 0 358.511 4.482 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cncc(Br)c2)s1 ZINC000430608867 1082637680 /nfs/dbraw/zinc/63/76/80/1082637680.db2.gz FMYCAMDNXYQBNZ-NSHDSACASA-N -1 0 364.268 4.088 20 30 FIEDRM COc1ccc(-c2n[nH]cc2C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000156072719 1082898421 /nfs/dbraw/zinc/89/84/21/1082898421.db2.gz DZPOTYOFJYCFFB-AWEZNQCLSA-N -1 0 366.446 4.155 20 30 FIEDRM Cc1c(C[S@](C)=O)cccc1N=Cc1cc(Br)ccc1O ZINC000255384523 1083011038 /nfs/dbraw/zinc/01/10/38/1083011038.db2.gz ASTDXWHFGCCPFF-NRFANRHFSA-N -1 0 366.280 4.092 20 30 FIEDRM N#Cc1cccc([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)c1 ZINC000157997606 1083179723 /nfs/dbraw/zinc/17/97/23/1083179723.db2.gz NLXFNCDOURWBKI-UHFFFAOYSA-N -1 0 360.744 4.031 20 30 FIEDRM C=C(C)[C@@H](CC(=O)Nc1cc(Br)cc(Cl)c1[O-])OCC ZINC000535656949 1083285717 /nfs/dbraw/zinc/28/57/17/1083285717.db2.gz WFUIXIYOPXQKMV-GFCCVEGCSA-N -1 0 362.651 4.118 20 30 FIEDRM Cc1cc(Br)oc1C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000647377053 1083361934 /nfs/dbraw/zinc/36/19/34/1083361934.db2.gz MFESYRJPZDKGBD-VIFPVBQESA-N -1 0 351.225 4.175 20 30 FIEDRM Cc1nc(C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)ccc1C#N ZINC000179321270 1083371540 /nfs/dbraw/zinc/37/15/40/1083371540.db2.gz XAPXCZAKCQQXPG-UHFFFAOYSA-N -1 0 356.596 4.180 20 30 FIEDRM Cc1nc(C(F)(F)F)ccc1C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000647377579 1083374405 /nfs/dbraw/zinc/37/44/05/1083374405.db2.gz WDXBNMFAJBCHQJ-LLVKDONJSA-N -1 0 351.353 4.233 20 30 FIEDRM O=C(Nc1ccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1)C1CC1 ZINC000255690203 1083412316 /nfs/dbraw/zinc/41/23/16/1083412316.db2.gz KPYKZLJMHBGQCJ-UHFFFAOYSA-N -1 0 359.769 4.053 20 30 FIEDRM CCOc1ccc([C@H](C)/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1OCC ZINC000022768526 1083647409 /nfs/dbraw/zinc/64/74/09/1083647409.db2.gz VQSWKWBOKITPAO-DZUMZMOTSA-N -1 0 358.394 4.278 20 30 FIEDRM C=C(C)COc1cc(C[NH2+][C@H](CC(=O)[O-])c2ccsc2)ccc1OC ZINC000277055154 1083729574 /nfs/dbraw/zinc/72/95/74/1083729574.db2.gz STAFREPPCTVKLE-MRXNPFEDSA-N -1 0 361.463 4.017 20 30 FIEDRM COc1ccc(/C=C/C(=O)c2ccc([O-])c(F)c2)cc1Br ZINC000728438241 1084143897 /nfs/dbraw/zinc/14/38/97/1084143897.db2.gz CIUNBFZKCQPHQN-GORDUTHDSA-N -1 0 351.171 4.199 20 30 FIEDRM Cc1nn(C(C)(C)C)c(C)c1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000684674086 1084183674 /nfs/dbraw/zinc/18/36/74/1084183674.db2.gz FCCXTRBESCDLMN-ZDUSSCGKSA-N -1 0 358.511 4.499 20 30 FIEDRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCCC2)[C@@H]1C[C@H]1c1ccccc1 ZINC000066504441 1084574610 /nfs/dbraw/zinc/57/46/10/1084574610.db2.gz CGCFCPWPRZOCEH-RBUKOAKNSA-N -1 0 355.459 4.014 20 30 FIEDRM CC(C)(CCC(=O)[O-])NC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000263494690 1084582183 /nfs/dbraw/zinc/58/21/83/1084582183.db2.gz QFPPFFGNOGGLCU-UHFFFAOYSA-N -1 0 367.405 4.115 20 30 FIEDRM N#CC(=C([O-])c1ccn(-c2cccc(Cl)c2)n1)c1nc2ccccc2o1 ZINC000066516624 1084588983 /nfs/dbraw/zinc/58/89/83/1084588983.db2.gz YQMOMILEQMGWPN-AWEZNQCLSA-N -1 0 362.776 4.157 20 30 FIEDRM N#CC(=C([O-])c1ncsc1C1CC1)c1nc2ccccc2n1C(F)F ZINC000892538865 1084611024 /nfs/dbraw/zinc/61/10/24/1084611024.db2.gz PMPCLOGKRHDRJG-SNVBAGLBSA-N -1 0 358.373 4.255 20 30 FIEDRM N#CC(=C([O-])c1cccc2c[nH]nc21)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000066545262 1084639240 /nfs/dbraw/zinc/63/92/40/1084639240.db2.gz XCJXQPOBCJAPCR-INIZCTEOSA-N -1 0 369.409 4.048 20 30 FIEDRM C=C[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)c1ccccc1 ZINC000431809642 1084641337 /nfs/dbraw/zinc/64/13/37/1084641337.db2.gz FGNZBAOUQCXKGV-KDOFPFPSSA-N -1 0 357.837 4.332 20 30 FIEDRM CC(C)c1ncncc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000613407541 1084706378 /nfs/dbraw/zinc/70/63/78/1084706378.db2.gz YNWJOWXFLOBPNB-LLVKDONJSA-N -1 0 356.838 4.353 20 30 FIEDRM N#CC(=C([O-])c1noc2c1CCCC2)c1nc2cc(Cl)ccc2s1 ZINC000613407473 1084706443 /nfs/dbraw/zinc/70/64/43/1084706443.db2.gz UMTIZDURXCXUHQ-NSHDSACASA-N -1 0 357.822 4.307 20 30 FIEDRM N#CC(=C([O-])c1ccc([N+](=O)[O-])cc1)c1nc2cc(Cl)ccc2s1 ZINC000119969814 1084749608 /nfs/dbraw/zinc/74/96/08/1084749608.db2.gz KEEFXGIBRSASTN-LBPRGKRZSA-N -1 0 357.778 4.348 20 30 FIEDRM N#CC(=C([O-])C=Cc1ccc2c(c1)OCO2)c1nc(-c2ccccc2)cs1 ZINC000051533227 1084785892 /nfs/dbraw/zinc/78/58/92/1084785892.db2.gz VSWKRHYNFPXYQR-BVBGJJFLSA-N -1 0 374.421 4.428 20 30 FIEDRM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccccc1S[C@H](C)CC#N ZINC000174717427 1084819422 /nfs/dbraw/zinc/81/94/22/1084819422.db2.gz CHUUYWQAGZHKBY-GFCCVEGCSA-N -1 0 364.467 4.329 20 30 FIEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000048472368 1085000593 /nfs/dbraw/zinc/00/05/93/1085000593.db2.gz PVPWEQVMSZCXOG-CHWSQXEVSA-N -1 0 363.401 4.317 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1C ZINC000048474592 1085000680 /nfs/dbraw/zinc/00/06/80/1085000680.db2.gz OSQOQUOMBVOYPL-QWHCGFSZSA-N -1 0 363.401 4.317 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cc1C ZINC000048474588 1085000989 /nfs/dbraw/zinc/00/09/89/1085000989.db2.gz OSQOQUOMBVOYPL-STQMWFEESA-N -1 0 363.401 4.317 20 30 FIEDRM N#CC(=C([O-])c1cccc(OCC(F)(F)F)c1)c1nc2ccccc2o1 ZINC000431414489 1085013191 /nfs/dbraw/zinc/01/31/91/1085013191.db2.gz MXXAZXWHMCPEPR-ZDUSSCGKSA-N -1 0 360.291 4.259 20 30 FIEDRM O=C([O-])C(=O)/C(=C\c1ccc(Cl)cc1F)c1ccc2ccccc2n1 ZINC000588542900 1085432740 /nfs/dbraw/zinc/43/27/40/1085432740.db2.gz ZFXOACQYBQUAOG-ZROIWOOFSA-N -1 0 355.752 4.222 20 30 FIEDRM COc1sc(/C=C\C(=O)c2csc(C(=O)[O-])c2)cc1Br ZINC000255563537 1086042061 /nfs/dbraw/zinc/04/20/61/1086042061.db2.gz LZAIUZVALWRMPZ-IHWYPQMZSA-N -1 0 373.249 4.175 20 30 FIEDRM N#CC(=C([O-])c1cncc(C(F)(F)F)c1)c1nc2cc(F)ccc2s1 ZINC000685146091 1086742945 /nfs/dbraw/zinc/74/29/45/1086742945.db2.gz JCQAINQIVCHPBQ-NSHDSACASA-N -1 0 365.311 4.339 20 30 FIEDRM N#CC(=C([O-])c1csc(CCc2ccccc2)n1)c1nc2ccccc2[nH]1 ZINC000107408018 1086798864 /nfs/dbraw/zinc/79/88/64/1086798864.db2.gz OIYNOYMVCKUFNC-HNNXBMFYSA-N -1 0 372.453 4.295 20 30 FIEDRM CCCc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)cc1 ZINC000511272257 1087536783 /nfs/dbraw/zinc/53/67/83/1087536783.db2.gz OCMVEPNRXMGGII-UHFFFAOYSA-N -1 0 358.463 4.099 20 30 FIEDRM Cn1ncc(C2CC2)c1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000659049615 1087972515 /nfs/dbraw/zinc/97/25/15/1087972515.db2.gz ALGWLPJVKSCWPK-LLVKDONJSA-N -1 0 356.838 4.051 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cc(C#N)cs3)n2)cc1 ZINC000176471475 1087974530 /nfs/dbraw/zinc/97/45/30/1087974530.db2.gz UBGLVTRWWSJZQQ-CQSZACIVSA-N -1 0 365.439 4.242 20 30 FIEDRM CCCc1nc(C([O-])=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)co1 ZINC000549081497 1088073231 /nfs/dbraw/zinc/07/32/31/1088073231.db2.gz XGSKMISCXQLGSR-AWEZNQCLSA-N -1 0 367.430 4.249 20 30 FIEDRM C=CCC[C@@H](NC(=O)CC1(C(=O)[O-])Cc2ccccc2C1)c1ccccc1 ZINC000434930771 1089148634 /nfs/dbraw/zinc/14/86/34/1089148634.db2.gz KKYUCHGGVANJOL-HXUWFJFHSA-N -1 0 363.457 4.070 20 30 FIEDRM C=CCC[C@H](NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000434931283 1089148664 /nfs/dbraw/zinc/14/86/64/1089148664.db2.gz NAPUKXAANXGYFB-SIKLNZKXSA-N -1 0 351.446 4.243 20 30 FIEDRM C[C@@H](Oc1cccc(/C=C\C(=O)c2cccc(C(F)(F)F)c2)c1)C(=O)[O-] ZINC000208115312 1089417886 /nfs/dbraw/zinc/41/78/86/1089417886.db2.gz JZITVPPBMQESJJ-JLVNDZCYSA-N -1 0 364.319 4.453 20 30 FIEDRM CC(=Cc1ccc(OCc2ccc(C)cc2)cc1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435336664 1089540942 /nfs/dbraw/zinc/54/09/42/1089540942.db2.gz PVQMJOWIZPTMAY-FOWTUZBSSA-N -1 0 371.440 4.398 20 30 FIEDRM N#CC(=C([O-])c1cc(-c2ccccc2Cl)[nH]n1)c1nc2ccccc2o1 ZINC000041537774 1090239224 /nfs/dbraw/zinc/23/92/24/1090239224.db2.gz XQCHVMSOLGEIMR-GFCCVEGCSA-N -1 0 362.776 4.361 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2nscc2Br)s1 ZINC000651352735 1090280970 /nfs/dbraw/zinc/28/09/70/1090280970.db2.gz HSTCXEXANMVZGB-ZETCQYMHSA-N -1 0 370.297 4.150 20 30 FIEDRM Cc1nc(COC(C)(C)C)oc1C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000651381213 1090380319 /nfs/dbraw/zinc/38/03/19/1090380319.db2.gz TZZHGHINTZYBAS-LBPRGKRZSA-N -1 0 359.451 4.122 20 30 FIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cncnc3C3CC3)n2)cc1 ZINC000584821757 1090921035 /nfs/dbraw/zinc/92/10/35/1090921035.db2.gz TXMMHYPAQWQFGG-HNNXBMFYSA-N -1 0 360.442 4.276 20 30 FIEDRM CC(C)(C(=O)[O-])c1ccc(NCc2cccc(OCCCC#N)c2)cc1 ZINC000417623393 1090942605 /nfs/dbraw/zinc/94/26/05/1090942605.db2.gz IVLXDSLJWROSMQ-UHFFFAOYSA-N -1 0 352.434 4.343 20 30 FIEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cc(Cl)cc(C(F)(F)F)c1 ZINC000123840341 1091235812 /nfs/dbraw/zinc/23/58/12/1091235812.db2.gz SUDWIRUVPFODSV-AWEZNQCLSA-N -1 0 372.774 4.130 20 30 FIEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)CCc2ccccc2Cl)c1 ZINC000046929377 1091273419 /nfs/dbraw/zinc/27/34/19/1091273419.db2.gz MEWPDMJCZXJXKG-UHFFFAOYSA-N -1 0 351.855 4.235 20 30 FIEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000511727048 1091566921 /nfs/dbraw/zinc/56/69/21/1091566921.db2.gz MJXXWXRPUZAXAQ-UHFFFAOYSA-N -1 0 371.245 4.065 20 30 FIEDRM Cc1ccc(-c2cc(C([O-])=C(C#N)c3nc4ccccc4n3C)n[nH]2)cc1C ZINC000187235000 1091858441 /nfs/dbraw/zinc/85/84/41/1091858441.db2.gz YNJIPELVOBSDLI-INIZCTEOSA-N -1 0 369.428 4.070 20 30 FIEDRM C=CCC[C@@H](N=c1nc(CCOC)[n-]s1)c1ccc(C(F)(F)F)cc1 ZINC000441951465 1092348126 /nfs/dbraw/zinc/34/81/26/1092348126.db2.gz HVBBIZWJDOLYTC-CQSZACIVSA-N -1 0 371.428 4.287 20 30 FIEDRM N#CC(=C([O-])c1ccncc1Oc1ccccc1)c1cnc2ccccc2n1 ZINC000442527346 1092670519 /nfs/dbraw/zinc/67/05/19/1092670519.db2.gz XJNKVOPXWDHGHB-QGZVFWFLSA-N -1 0 366.380 4.307 20 30 FIEDRM Cc1ccc(-c2ocnc2C([O-])=C(C#N)c2nc3ccccc3n2C)cc1 ZINC000442603011 1092692278 /nfs/dbraw/zinc/69/22/78/1092692278.db2.gz ULHYVPPCMMXBRD-OAHLLOKOSA-N -1 0 356.385 4.027 20 30 FIEDRM C=CCN=c1[n-]nc(SCc2ccccc2Oc2cccnc2)s1 ZINC000521733589 1092883272 /nfs/dbraw/zinc/88/32/72/1092883272.db2.gz WJDWCBWIBUONJU-UHFFFAOYSA-N -1 0 356.476 4.038 20 30 FIEDRM Cc1cc(-c2csc(NC(=O)c3ccc(C#N)c([O-])c3)n2)c(F)cc1F ZINC000443285760 1093027793 /nfs/dbraw/zinc/02/77/93/1093027793.db2.gz GAPKPWMIDGRGGG-UHFFFAOYSA-N -1 0 371.368 4.226 20 30 FIEDRM CC(C)c1nc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cs1 ZINC000114619329 1093659875 /nfs/dbraw/zinc/65/98/75/1093659875.db2.gz ATBMZCXUXBFRQB-GFCCVEGCSA-N -1 0 354.460 4.275 20 30 FIEDRM CC(C)(C)c1ncc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)s1 ZINC000114620704 1093659994 /nfs/dbraw/zinc/65/99/94/1093659994.db2.gz JTEJKBNDJJCHAO-GFCCVEGCSA-N -1 0 368.487 4.449 20 30 FIEDRM CSc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000185333745 1093714265 /nfs/dbraw/zinc/71/42/65/1093714265.db2.gz NYHSOTLZWPYMLS-UHFFFAOYSA-N -1 0 352.868 4.043 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2OCc2csc(C)n2)n1 ZINC000513652584 1094254465 /nfs/dbraw/zinc/25/44/65/1094254465.db2.gz AWHXFHZFFDCNJI-OAHLLOKOSA-N -1 0 369.471 4.286 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)c(Cl)c1 ZINC000183097807 1094297082 /nfs/dbraw/zinc/29/70/82/1094297082.db2.gz NMEJRCICSQKTME-UHFFFAOYSA-N -1 0 369.833 4.074 20 30 FIEDRM CC(=O)c1ccc(-c2ccc(C([O-])=C(C#N)c3nc(C)cs3)o2)cc1 ZINC000513692884 1094329865 /nfs/dbraw/zinc/32/98/65/1094329865.db2.gz WLBTYYNXJQSIJI-HNNXBMFYSA-N -1 0 350.399 4.404 20 30 FIEDRM CSCc1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cc1 ZINC000041555804 1094632882 /nfs/dbraw/zinc/63/28/82/1094632882.db2.gz GYLYUECSHWMFEP-CQSZACIVSA-N -1 0 350.365 4.453 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cnn(-c3cccc(Cl)c3)c2C)n1 ZINC000041515844 1094639782 /nfs/dbraw/zinc/63/97/82/1094639782.db2.gz DOCRXHLTWVVLRA-AWEZNQCLSA-N -1 0 356.838 4.089 20 30 FIEDRM CC(C)Oc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)ccc1[N+](=O)[O-] ZINC000420279207 1094859801 /nfs/dbraw/zinc/85/98/01/1094859801.db2.gz OVFBWOZWDFEYDH-ZDUSSCGKSA-N -1 0 373.434 4.452 20 30 FIEDRM COc1ccc2c(c1)CN(C(=O)N=c1cn[n-]s1)[C@@H](C1CCCCC1)C2 ZINC000330271091 1095444730 /nfs/dbraw/zinc/44/47/30/1095444730.db2.gz VJFGJWUUWZIGCH-QGZVFWFLSA-N -1 0 372.494 4.099 20 30 FIEDRM COc1cc(C)c(Br)cc1C([O-])=C(C#N)c1nc(C)cs1 ZINC000513746086 1095508642 /nfs/dbraw/zinc/50/86/42/1095508642.db2.gz NTNXZPFRESVMDA-LLVKDONJSA-N -1 0 365.252 4.021 20 30 FIEDRM CC(C)(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000502828065 1095889770 /nfs/dbraw/zinc/88/97/70/1095889770.db2.gz LQCGJAWTKNLUGV-UHFFFAOYSA-N -1 0 364.854 4.190 20 30 FIEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cccc1C(F)(F)F ZINC000504046686 1096642532 /nfs/dbraw/zinc/64/25/32/1096642532.db2.gz WSQZUPWEADNGOV-UHFFFAOYSA-N -1 0 374.771 4.340 20 30 FIEDRM CN(Cc1ccc(C#N)cc1)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000436759925 1099275600 /nfs/dbraw/zinc/27/56/00/1099275600.db2.gz IMVANOSECNSQNM-UHFFFAOYSA-N -1 0 350.805 4.343 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc3cc(F)ccc3s2)n1 ZINC000516346341 1099398160 /nfs/dbraw/zinc/39/81/60/1099398160.db2.gz FELRUWWYVMYIIC-NSHDSACASA-N -1 0 374.418 4.164 20 30 FIEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C\c1cccc(OCc2ccccc2)c1 ZINC000509690775 1099871737 /nfs/dbraw/zinc/87/17/37/1099871737.db2.gz KQGAQQWKHLIOGQ-LUAWRHEFSA-N -1 0 356.381 4.401 20 30 FIEDRM CCCOc1c(Cl)cc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cc1OC ZINC000509698644 1100069991 /nfs/dbraw/zinc/06/99/91/1100069991.db2.gz UPBMTWPQJABNJQ-XQRVVYSFSA-N -1 0 372.808 4.273 20 30 FIEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ccccc2Oc2cccc(F)c2)c1 ZINC000517135282 1100100313 /nfs/dbraw/zinc/10/03/13/1100100313.db2.gz AOWYJXFNWQFCEY-UHFFFAOYSA-N -1 0 368.389 4.290 20 30 FIEDRM CC(C)(C)c1nc2ccc(S(=O)(=O)Nc3ccc(C#N)cc3)cc2s1 ZINC000438791444 1100922043 /nfs/dbraw/zinc/92/20/43/1100922043.db2.gz BYIBBLLMTWDJIG-UHFFFAOYSA-N -1 0 371.487 4.266 20 30 FIEDRM CO[C@H](C)c1nc(=N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s[n-]1 ZINC000509588527 1100986459 /nfs/dbraw/zinc/98/64/59/1100986459.db2.gz WSDNTVNUSUJXAU-ZIAGYGMSSA-N -1 0 364.474 4.379 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2ccccc2CN2CCc3ccccc32)cc1[O-] ZINC000190763129 1101344361 /nfs/dbraw/zinc/34/43/61/1101344361.db2.gz FRICJYUCSFZMNI-UHFFFAOYSA-N -1 0 369.424 4.079 20 30 FIEDRM Cc1c(NC(=O)c2ccccc2)cccc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000190792899 1101361401 /nfs/dbraw/zinc/36/14/01/1101361401.db2.gz ICNUQJGYWUAEMH-UHFFFAOYSA-N -1 0 371.396 4.077 20 30 FIEDRM N#C[C@@H](c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccoc2)cc1Cl ZINC000506555209 1101373695 /nfs/dbraw/zinc/37/36/95/1101373695.db2.gz NFCCKNRXODPGRK-KRWDZBQOSA-N -1 0 372.833 4.389 20 30 FIEDRM O=C([O-])c1ccc(/C=C/C(=O)c2c(Cl)nc3ccccn32)c(Cl)c1 ZINC000783710319 1101549604 /nfs/dbraw/zinc/54/96/04/1101549604.db2.gz FILSYYHKUMGWMA-VOTSOKGWSA-N -1 0 361.184 4.235 20 30 FIEDRM CCc1ccc(-c2noc([C@H](C)/N=C/c3cc([N+](=O)[O-])ccc3[O-])n2)cc1 ZINC000760213078 1101758627 /nfs/dbraw/zinc/75/86/27/1101758627.db2.gz OAVVENTVPDGIDD-DQAKUKQTSA-N -1 0 366.377 4.093 20 30 FIEDRM Cn1c2ccc(N=Cc3cc([N+](=O)[O-])ccc3[O-])cc2nc1C(C)(C)C ZINC000760228018 1101868868 /nfs/dbraw/zinc/86/88/68/1101868868.db2.gz CZSXBKWOSCZDQO-UHFFFAOYSA-N -1 0 352.394 4.235 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc3cc(C)ccc3s2)n1 ZINC000519039539 1101871185 /nfs/dbraw/zinc/87/11/85/1101871185.db2.gz KLHVPNSHOKSBEO-GFCCVEGCSA-N -1 0 370.455 4.333 20 30 FIEDRM Cc1ccc2nc(-c3ccccc3)cc(C([O-])=C(C#N)c3ccncn3)c2c1 ZINC000760356037 1101936288 /nfs/dbraw/zinc/93/62/88/1101936288.db2.gz FGHRUSGOJXPMCL-LJQANCHMSA-N -1 0 364.408 4.490 20 30 FIEDRM Cc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3ccccc3C#N)c2)o1 ZINC000475827247 1102023646 /nfs/dbraw/zinc/02/36/46/1102023646.db2.gz DXQXJZRGYPKMKN-UHFFFAOYSA-N -1 0 352.415 4.236 20 30 FIEDRM CC(C)(CCC(=O)[O-])NC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000263510369 1102203230 /nfs/dbraw/zinc/20/32/30/1102203230.db2.gz XKIHGZMVJANXRR-UHFFFAOYSA-N -1 0 367.405 4.115 20 30 FIEDRM Cc1nnc(-c2cccc(C([O-])=C(C#N)c3nc(C(C)C)cs3)c2)o1 ZINC000121735233 1102445376 /nfs/dbraw/zinc/44/53/76/1102445376.db2.gz OQEPTTGKABLUAQ-AWEZNQCLSA-N -1 0 352.419 4.115 20 30 FIEDRM COCc1ccc(C([O-])=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)o1 ZINC000121864284 1102464141 /nfs/dbraw/zinc/46/41/41/1102464141.db2.gz MKNLIUIINTVVPK-OAHLLOKOSA-N -1 0 368.414 4.048 20 30 FIEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1occc1COc1ccccc1 ZINC000122171759 1102540179 /nfs/dbraw/zinc/54/01/79/1102540179.db2.gz CUVIFBHOYPIVQY-QGZVFWFLSA-N -1 0 371.396 4.235 20 30 FIEDRM Cc1onc(-c2ccccc2)c1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000122729579 1102617408 /nfs/dbraw/zinc/61/74/08/1102617408.db2.gz KERYQMPVYZOCPP-HNNXBMFYSA-N -1 0 356.385 4.027 20 30 FIEDRM CC(C)(C)c1csc(CC/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000729641495 1102844276 /nfs/dbraw/zinc/84/42/76/1102844276.db2.gz KGCPTRQVPSPRJK-QGMBQPNBSA-N -1 0 367.858 4.369 20 30 FIEDRM Cc1noc2nc(C(C)C)cc(C([O-])=C(C#N)c3nc4ccccc4n3C)c12 ZINC000102115659 1102872837 /nfs/dbraw/zinc/87/28/37/1102872837.db2.gz GPOHJCBRFYUUGG-CQSZACIVSA-N -1 0 373.416 4.031 20 30 FIEDRM N#Cc1ccc(Oc2cccc(NC(=O)CC3(C(=O)[O-])CCCC3)c2)cc1 ZINC000520634514 1105067259 /nfs/dbraw/zinc/06/72/59/1105067259.db2.gz PXPRESLJCVRKNB-UHFFFAOYSA-N -1 0 364.401 4.324 20 30 FIEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(C)C)ccc1Cl ZINC000507918396 1105266354 /nfs/dbraw/zinc/26/63/54/1105266354.db2.gz CDKJMNAGRXJRNQ-UHFFFAOYSA-N -1 0 363.870 4.178 20 30 FIEDRM CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2sccc2Cl)cc1C#N ZINC000451084189 1106921205 /nfs/dbraw/zinc/92/12/05/1106921205.db2.gz JMIQAPWWLLFIIY-UHFFFAOYSA-N -1 0 370.883 4.251 20 30 FIEDRM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000530546086 1107130231 /nfs/dbraw/zinc/13/02/31/1107130231.db2.gz GBYRZULVAMFTSM-UHFFFAOYSA-N -1 0 358.438 4.350 20 30 FIEDRM Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc(C(C)(C)C#N)cc3)c2n1 ZINC000530770741 1107310004 /nfs/dbraw/zinc/31/00/04/1107310004.db2.gz FEZVFJDCOMFOSA-UHFFFAOYSA-N -1 0 365.458 4.145 20 30 FIEDRM Cc1nnc(-c2cccc(C([O-])=C(C#N)c3nc4ccccc4s3)c2)o1 ZINC000531867743 1108295585 /nfs/dbraw/zinc/29/55/85/1108295585.db2.gz JEXSDPCZQOXVIR-CQSZACIVSA-N -1 0 360.398 4.145 20 30 FIEDRM N#C[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1c(Cl)cccc1Cl ZINC000446033162 1109089484 /nfs/dbraw/zinc/08/94/84/1109089484.db2.gz JRRZOPZOTPDJPP-LBPRGKRZSA-N -1 0 373.598 4.486 20 30 FIEDRM Cc1cc(CSc2n[n-]c(=NCc3ccc(F)cc3)s2)ccc1C#N ZINC000447300919 1109508462 /nfs/dbraw/zinc/50/84/62/1109508462.db2.gz ZZRBRTHWWMARPF-UHFFFAOYSA-N -1 0 370.478 4.184 20 30 FIEDRM C=CCN(CC=C)C(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000447891597 1109669169 /nfs/dbraw/zinc/66/91/69/1109669169.db2.gz COYJDVBUGGPTOL-UHFFFAOYSA-N -1 0 357.431 4.084 20 30 FIEDRM N#C[C@H](C(=O)[C@H]1CCCC12CC2)c1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000528911704 1110147933 /nfs/dbraw/zinc/14/79/33/1110147933.db2.gz DDYDMMPXZMWHNJ-CHWSQXEVSA-N -1 0 367.474 4.032 20 30 FIEDRM CCCCCOc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000127354435 1110159706 /nfs/dbraw/zinc/15/97/06/1110159706.db2.gz PCEQPLOVPWYLKB-IBGZPJMESA-N -1 0 356.466 4.027 20 30 FIEDRM CC(C)c1n[n-]c(=NCc2cccc(OCc3cccc(C#N)c3)c2)s1 ZINC000538609007 1111219946 /nfs/dbraw/zinc/21/99/46/1111219946.db2.gz NDHWPTQYBBLIKX-UHFFFAOYSA-N -1 0 364.474 4.146 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc4cc[nH]c4n3)n2)cc1 ZINC000462004487 1111462592 /nfs/dbraw/zinc/46/25/92/1111462592.db2.gz AEJJBYWDJUGAIG-HNNXBMFYSA-N -1 0 374.425 4.185 20 30 FIEDRM Cn1ccc(C([O-])=C(C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1 ZINC000477871074 1111591722 /nfs/dbraw/zinc/59/17/22/1111591722.db2.gz BPHTVUAPJPUKBO-WRQGHLQJSA-N -1 0 365.502 4.439 20 30 FIEDRM Cc1cc(C(C#N)=C([O-])c2cc3c(s2)-c2ccccc2OC3)nc(C)n1 ZINC000041574856 1111723138 /nfs/dbraw/zinc/72/31/38/1111723138.db2.gz ICHJPNQFYJJVNA-HNNXBMFYSA-N -1 0 361.426 4.204 20 30 FIEDRM CCC(CC)n1nccc1C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000151326365 1111735145 /nfs/dbraw/zinc/73/51/45/1111735145.db2.gz FZEZOLBPNJLIIW-OAHLLOKOSA-N -1 0 365.462 4.253 20 30 FIEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)N=c1[n-]nc(CC(C)C)s1 ZINC000479964301 1112215834 /nfs/dbraw/zinc/21/58/34/1112215834.db2.gz UGDMSSNMFYGRIV-UHFFFAOYSA-N -1 0 370.931 4.094 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2cc(N(C)C)c3ccccc3n2)n1 ZINC000555064393 1112643829 /nfs/dbraw/zinc/64/38/29/1112643829.db2.gz VOBNWFYQPNJYMS-CQSZACIVSA-N -1 0 364.474 4.371 20 30 FIEDRM CCc1c(C([O-])=C(C#N)c2nc3ccccc3o2)cnn1C(CC)CC ZINC000482560479 1113295894 /nfs/dbraw/zinc/29/58/94/1113295894.db2.gz NXIIBINSDRCKJN-CQSZACIVSA-N -1 0 350.422 4.438 20 30 FIEDRM N#Cc1cc(F)ccc1CSc1n[n-]c(=NCc2ccc(F)cc2)s1 ZINC000483130550 1113448991 /nfs/dbraw/zinc/44/89/91/1113448991.db2.gz OTEXFAAPLCMIAS-UHFFFAOYSA-N -1 0 374.441 4.014 20 30 FIEDRM COc1ccc(-c2cc(C([O-])=C(C#N)c3nccc4ccccc43)n[nH]2)cc1 ZINC000483215304 1113466774 /nfs/dbraw/zinc/46/67/74/1113466774.db2.gz QGJVEFFEPSUYPM-SFHVURJKSA-N -1 0 368.396 4.124 20 30 FIEDRM N#CC(=C([O-])c1cc(-c2ccccc2)ns1)c1cnc2ccccc2n1 ZINC000483237467 1113469106 /nfs/dbraw/zinc/46/91/06/1113469106.db2.gz QLAQVUHDLOJYCT-AWEZNQCLSA-N -1 0 356.410 4.243 20 30 FIEDRM Cc1cccc(S(=O)(=O)[N-]c2cnn(CCC(C)C)c2C(C)C)c1C#N ZINC000486095162 1113504235 /nfs/dbraw/zinc/50/42/35/1113504235.db2.gz VFYAWJTWGOZOGK-UHFFFAOYSA-N -1 0 374.510 4.034 20 30 FIEDRM O=C([O-])c1ccc(C(=O)/C=C/c2cc(Br)ccc2F)s1 ZINC000027123352 1113514745 /nfs/dbraw/zinc/51/47/45/1113514745.db2.gz VZFNESWOIUJHOD-DAFODLJHSA-N -1 0 355.184 4.244 20 30 FIEDRM C=CCC(CC=C)C(=O)N(Cc1ccoc1C(=O)[O-])[C@H](C)c1ccccn1 ZINC000911331591 1113970177 /nfs/dbraw/zinc/97/01/77/1113970177.db2.gz UJOJPQIDBMHQMW-OAHLLOKOSA-N -1 0 368.433 4.231 20 30 FIEDRM Cc1ccc(-c2ccc(C=Nn3c(=O)c4ccccc4[n-]c3=S)o2)cc1 ZINC000912806578 1114204732 /nfs/dbraw/zinc/20/47/32/1114204732.db2.gz RZWRKOFTXFSMRU-UHFFFAOYSA-N -1 0 361.426 4.136 20 30 FIEDRM C=CC[C@H](C(=O)N=c1nc(-c2sccc2C)[n-]s1)c1ccccc1 ZINC000490228400 1114240645 /nfs/dbraw/zinc/24/06/45/1114240645.db2.gz BNXWBNSUDZVYFS-AWEZNQCLSA-N -1 0 355.488 4.295 20 30 FIEDRM Cc1ccc(-c2ccc(Cl)cc2[N-]S(=O)(=O)c2ccc(C#N)o2)o1 ZINC000570961977 1114417966 /nfs/dbraw/zinc/41/79/66/1114417966.db2.gz UMGIMKVXZALGMW-UHFFFAOYSA-N -1 0 362.794 4.174 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)Cc2ccccc2-3)c(F)c1 ZINC000571604306 1114483786 /nfs/dbraw/zinc/48/37/86/1114483786.db2.gz LBDUJWHFLBLJPB-UHFFFAOYSA-N -1 0 364.401 4.069 20 30 FIEDRM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000055548834 1114496295 /nfs/dbraw/zinc/49/62/95/1114496295.db2.gz HOCQDPGMWRNMCH-UHFFFAOYSA-N -1 0 374.771 4.340 20 30 FIEDRM Cc1cccc(CCC(=O)[N-]S(=O)(=O)c2cccc3cc(C)cnc32)c1 ZINC000045099104 1114560646 /nfs/dbraw/zinc/56/06/46/1114560646.db2.gz AYJNPTJJEUKPMH-UHFFFAOYSA-N -1 0 368.458 4.130 20 30 FIEDRM Cc1cc2c[nH]nc2c(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)c1 ZINC000588348996 1114576030 /nfs/dbraw/zinc/57/60/30/1114576030.db2.gz NAWWBTYCQZMUAM-INIZCTEOSA-N -1 0 358.426 4.485 20 30 FIEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)c(C)n2)ccc1C#N ZINC000589595400 1114815184 /nfs/dbraw/zinc/81/51/84/1114815184.db2.gz YJZOIDVWRPTJHF-UHFFFAOYSA-N -1 0 363.442 4.038 20 30 FIEDRM CC(C)CCSCC(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000058043173 1115076900 /nfs/dbraw/zinc/07/69/00/1115076900.db2.gz AQNMWRCCNKWQQD-UHFFFAOYSA-N -1 0 353.509 4.039 20 30 FIEDRM O=C([N-]S(=O)(=O)C1CCCCC1)C(c1ccccc1)c1ccccc1 ZINC000058078340 1115100057 /nfs/dbraw/zinc/10/00/57/1115100057.db2.gz XVCBUKLHWIKZGH-UHFFFAOYSA-N -1 0 357.475 4.438 20 30 FIEDRM CC(=Cc1ccc(-c2ccc(Cl)cc2)o1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000573783201 1115186325 /nfs/dbraw/zinc/18/63/25/1115186325.db2.gz STLLFIVBZSQQDI-LUAWRHEFSA-N -1 0 351.793 4.424 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)oc2c1C(=O)CCC2 ZINC000592974602 1115272885 /nfs/dbraw/zinc/27/28/85/1115272885.db2.gz VEAKJMUTWGGNGG-NSHDSACASA-N -1 0 368.389 4.346 20 30 FIEDRM COc1ccc(C=NNc2cc(C)ccc2F)c(Br)c1O ZINC000761011841 1115292920 /nfs/dbraw/zinc/29/29/20/1115292920.db2.gz JLXUJUZRDALMER-UHFFFAOYSA-N -1 0 353.191 4.057 20 30 FIEDRM CC(C)(C#N)c1ccc(S(=O)(=O)[N-]c2nc(C3CCC3)cs2)cc1 ZINC000593279469 1115316173 /nfs/dbraw/zinc/31/61/73/1115316173.db2.gz GKVVBEAFEIQGTN-UHFFFAOYSA-N -1 0 361.492 4.013 20 30 FIEDRM C[C@H](Oc1cccc(/C=C2/CCc3ccc(Cl)cc3C2=O)c1)C(=O)[O-] ZINC000761206764 1115625721 /nfs/dbraw/zinc/62/57/21/1115625721.db2.gz RPYFVXUNYFOIII-ZENNRRHLSA-N -1 0 356.805 4.404 20 30 FIEDRM CC(C)CCc1nc(Cn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)cs1 ZINC000534634493 1116221480 /nfs/dbraw/zinc/22/14/80/1116221480.db2.gz JUSFFNRVHINHLL-UHFFFAOYSA-N -1 0 360.527 4.436 20 30 FIEDRM N#CC(=C([O-])c1cnc(-c2ccncc2)s1)c1nc2ccccc2s1 ZINC000535514814 1116314804 /nfs/dbraw/zinc/31/48/04/1116314804.db2.gz ZEKJLQFFBZFBRU-LBPRGKRZSA-N -1 0 362.439 4.305 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)cc1[O-] ZINC000442944555 1116336476 /nfs/dbraw/zinc/33/64/76/1116336476.db2.gz UHQRTAAGVHJBII-UHFFFAOYSA-N -1 0 356.809 4.491 20 30 FIEDRM N#Cc1ccc(SCC(=O)Nc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000539931097 1117754775 /nfs/dbraw/zinc/75/47/75/1117754775.db2.gz UWYGAGRCEWGJML-UHFFFAOYSA-N -1 0 353.230 4.301 20 30 FIEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C/c1cc(Cl)ccc1Br ZINC000463045992 1117939203 /nfs/dbraw/zinc/93/92/03/1117939203.db2.gz VWNRREVDALSUGX-ORCRQEGFSA-N -1 0 363.598 4.238 20 30 FIEDRM CC(=O)c1cccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000541199055 1118427439 /nfs/dbraw/zinc/42/74/39/1118427439.db2.gz JEXTZMRXGPFUHN-SFHVURJKSA-N -1 0 371.421 4.374 20 30 FIEDRM COc1ccc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)nc1 ZINC000464188645 1118477236 /nfs/dbraw/zinc/47/72/36/1118477236.db2.gz WCBQANHCYLHQEN-CQSZACIVSA-N -1 0 369.833 4.357 20 30 FIEDRM CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c(O)c1 ZINC000443526603 1118501474 /nfs/dbraw/zinc/50/14/74/1118501474.db2.gz DHKKSJAVSQPAPT-UHFFFAOYSA-N -1 0 364.854 4.016 20 30 FIEDRM Cc1nc(C(F)(F)F)ccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464420732 1118550919 /nfs/dbraw/zinc/55/09/19/1118550919.db2.gz QQQXXRIUYHCOOS-LLVKDONJSA-N -1 0 373.256 4.313 20 30 FIEDRM N#CC(=C([O-])c1c[nH]nc1-c1ccc(F)cc1)c1cc(C(F)(F)F)ccn1 ZINC000464420761 1118551314 /nfs/dbraw/zinc/55/13/14/1118551314.db2.gz ZGXPEBZLKUSCAT-CYBMUJFWSA-N -1 0 374.297 4.120 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nn1-c1ccccc1 ZINC000464408505 1118554311 /nfs/dbraw/zinc/55/43/11/1118554311.db2.gz IZLOAJYBVLOEAR-HNNXBMFYSA-N -1 0 370.334 4.085 20 30 FIEDRM CSc1c(F)cccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464467966 1118573117 /nfs/dbraw/zinc/57/31/17/1118573117.db2.gz OLBVMHSLCKQPOP-NSHDSACASA-N -1 0 354.328 4.451 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2c(C)nn(C)c2Sc2ccccc2)n1 ZINC000464505923 1118589050 /nfs/dbraw/zinc/58/90/50/1118589050.db2.gz BCRVYYVLBUVRBT-AWEZNQCLSA-N -1 0 368.487 4.135 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2c(C)nn(C)c2Sc2ccccc2)n1 ZINC000464505924 1118589103 /nfs/dbraw/zinc/58/91/03/1118589103.db2.gz BCRVYYVLBUVRBT-CQSZACIVSA-N -1 0 368.487 4.135 20 30 FIEDRM N#Cc1ccc([O-])c(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c1 ZINC000176401545 1119002888 /nfs/dbraw/zinc/00/28/88/1119002888.db2.gz JJSIEPCRTVDBOF-UHFFFAOYSA-N -1 0 372.384 4.160 20 30 FIEDRM N#CCc1ccc(NC(=O)c2cc(Br)cc(Cl)c2[O-])cc1 ZINC000303949614 1119006189 /nfs/dbraw/zinc/00/61/89/1119006189.db2.gz YXNXWRRWLINJHN-UHFFFAOYSA-N -1 0 365.614 4.126 20 30 FIEDRM O=C([O-])COc1cccc(C(=O)/C=C/c2csc(Cl)c2Cl)c1 ZINC000761475500 1119059457 /nfs/dbraw/zinc/05/94/57/1119059457.db2.gz FHAKWKYRSVNJSG-SNAWJCMRSA-N -1 0 357.214 4.414 20 30 FIEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccc(Oc2ccccc2)o1 ZINC000176517224 1119279745 /nfs/dbraw/zinc/27/97/45/1119279745.db2.gz JCDXBBCCFILOGY-HNNXBMFYSA-N -1 0 357.369 4.449 20 30 FIEDRM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)c1 ZINC000176708371 1119290141 /nfs/dbraw/zinc/29/01/41/1119290141.db2.gz LMESOJFVMROBIF-CYBMUJFWSA-N -1 0 364.467 4.329 20 30 FIEDRM CC(C)c1cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)n(C)n1 ZINC000177603775 1119339625 /nfs/dbraw/zinc/33/96/25/1119339625.db2.gz LJBWIVFLUGGYHJ-AWEZNQCLSA-N -1 0 350.447 4.157 20 30 FIEDRM Cc1noc(-c2ccccc2C([O-])=C(C#N)c2nc(C(C)C)cs2)n1 ZINC000183379994 1119572783 /nfs/dbraw/zinc/57/27/83/1119572783.db2.gz IRDAVYLJSAHBHG-AWEZNQCLSA-N -1 0 352.419 4.115 20 30 FIEDRM Cc1ccc(OCCCn2[n-]c(C(C)(C)C)c(CCC#N)c2=O)cc1C ZINC000465451052 1120345150 /nfs/dbraw/zinc/34/51/50/1120345150.db2.gz GMMSGMUXVGYWFT-UHFFFAOYSA-N -1 0 355.482 4.428 20 30 FIEDRM C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccc(OC(F)(F)F)cc1 ZINC000914701787 1120478128 /nfs/dbraw/zinc/47/81/28/1120478128.db2.gz QDSHROATLYSFIH-YPZZKDGISA-N -1 0 354.284 4.379 20 30 FIEDRM CCN(CC)C(=O)Nc1ccc(C(C)N=Nc2ccccc2C(=O)[O-])cc1 ZINC000914772813 1120531443 /nfs/dbraw/zinc/53/14/43/1120531443.db2.gz COMQEPFRHDTREL-UHFFFAOYSA-N -1 0 368.437 4.095 20 30 FIEDRM CCc1c(C([O-])=C(C#N)c2nc3ccccc3o2)cnn1CCC(C)C ZINC000495213370 1120543194 /nfs/dbraw/zinc/54/31/94/1120543194.db2.gz QUAMLROTQABMGZ-CQSZACIVSA-N -1 0 350.422 4.123 20 30 FIEDRM C=C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1)c1ccccc1 ZINC000761900332 1120570752 /nfs/dbraw/zinc/57/07/52/1120570752.db2.gz XXGDQGSOMWBBBR-KSSFIOAISA-N -1 0 357.837 4.332 20 30 FIEDRM CC(C)(C)Oc1ccc(C([O-])=C(C#N)c2nc3ccccc3s2)nc1 ZINC000495285460 1120630102 /nfs/dbraw/zinc/63/01/02/1120630102.db2.gz QOTDEOJNQYBPRK-ZDUSSCGKSA-N -1 0 351.431 4.359 20 30 FIEDRM N#CC(=C([O-])C1=Cc2cc(F)ccc2OC1)c1nc2cc(F)ccc2s1 ZINC000762062264 1120679924 /nfs/dbraw/zinc/67/99/24/1120679924.db2.gz GZEYWKRWXZJBSW-AWEZNQCLSA-N -1 0 368.364 4.227 20 30 FIEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1sc2cc(Cl)ccc2c1Cl ZINC000193355920 1120800632 /nfs/dbraw/zinc/80/06/32/1120800632.db2.gz JBXXQESDFCUADM-NSHDSACASA-N -1 0 367.257 4.153 20 30 FIEDRM CC(=NNc1ccccc1C(=O)[O-])c1ccc(F)cc1Br ZINC000763155130 1121190407 /nfs/dbraw/zinc/19/04/07/1121190407.db2.gz HNVFTHDTNLUSNG-UHFFFAOYSA-N -1 0 351.175 4.123 20 30 FIEDRM COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)[O-])cc2)c2ccccc12 ZINC000032890829 1121240027 /nfs/dbraw/zinc/24/00/27/1121240027.db2.gz BIFHGCDXIAOPLA-XYOKQWHBSA-N -1 0 362.381 4.208 20 30 FIEDRM CC(=NNc1nc2ccccc2[nH]1)c1ccc(-c2ccc(C(=O)[O-])o2)cc1 ZINC000915915548 1121348099 /nfs/dbraw/zinc/34/80/99/1121348099.db2.gz SINFDANNYXQGLY-UHFFFAOYSA-N -1 0 360.373 4.357 20 30 FIEDRM CCCCOc1ccc(C(C)=NNc2ccc(C(=O)[O-])cc2)cc1OC ZINC000915933179 1121354488 /nfs/dbraw/zinc/35/44/88/1121354488.db2.gz HEJGKQXUZVCSIB-UHFFFAOYSA-N -1 0 356.422 4.408 20 30 FIEDRM CCCOc1ccc([C@H](C)/N=C\c2cc([N+](=O)[O-])ccc2[O-])cc1OC ZINC000915981773 1121362325 /nfs/dbraw/zinc/36/23/25/1121362325.db2.gz GWIKFNLEJSJUJA-RQZLXBNYSA-N -1 0 358.394 4.278 20 30 FIEDRM O=C([O-])COc1ccc(/C=C\C(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000915988664 1121367962 /nfs/dbraw/zinc/36/79/62/1121367962.db2.gz ACHMJJFOPKOARC-KMKOMSMNSA-N -1 0 350.292 4.065 20 30 FIEDRM COc1ccc2cc(/C=C\C(=O)c3cccc(OCC(=O)[O-])c3)ccc2c1 ZINC000916156473 1121429438 /nfs/dbraw/zinc/42/94/38/1121429438.db2.gz AYBPSAWXYHTLIJ-POHAHGRESA-N -1 0 362.381 4.208 20 30 FIEDRM O=C([O-])COc1cccc(C(=O)/C=C/c2csc(-c3ccccc3)n2)c1 ZINC000916157660 1121430258 /nfs/dbraw/zinc/43/02/58/1121430258.db2.gz RESZELNLSQEEEW-MDZDMXLPSA-N -1 0 365.410 4.170 20 30 FIEDRM CC(CCc1ccc2c(c1)OCO2)N=Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000916259861 1121454409 /nfs/dbraw/zinc/45/44/09/1121454409.db2.gz SNCFNTHAKCOZIC-UHFFFAOYSA-N -1 0 360.797 4.188 20 30 FIEDRM [O-]c1c(Cl)cc(Cl)cc1C=NN1C(=S)N=NC1c1cccs1 ZINC000916314338 1121471227 /nfs/dbraw/zinc/47/12/27/1121471227.db2.gz XCNKIOYRNIXMDH-UHFFFAOYSA-N -1 0 371.274 4.190 20 30 FIEDRM COc1cc(/C=C\C(=O)c2ccccc2Cl)ccc1OCCC(=O)[O-] ZINC000763371100 1121491231 /nfs/dbraw/zinc/49/12/31/1121491231.db2.gz ZJYVSFBQNMZVPX-VURMDHGXSA-N -1 0 360.793 4.098 20 30 FIEDRM C=CCN1C(=O)C(=N[N-]c2nc(-c3ccccc3)cs2)c2ccccc21 ZINC000916545247 1121538992 /nfs/dbraw/zinc/53/89/92/1121538992.db2.gz CXKWUGNMUVBAGJ-UHFFFAOYSA-N -1 0 360.442 4.159 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1csc(-c2ccc(C)cc2)n1 ZINC000916875628 1121906205 /nfs/dbraw/zinc/90/62/05/1121906205.db2.gz FQTIMGJFKIIGGS-MRXNPFEDSA-N -1 0 369.490 4.138 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2ccc(F)cc2)o1 ZINC000916875980 1121906459 /nfs/dbraw/zinc/90/64/59/1121906459.db2.gz MZWUNBXYGHWMGF-INIZCTEOSA-N -1 0 356.397 4.105 20 30 FIEDRM Cc1c(C([O-])=C(C#N)C(=O)NC2CCCCC2)sc2cccc(F)c12 ZINC000916893979 1121906568 /nfs/dbraw/zinc/90/65/68/1121906568.db2.gz OCISUEQTHRTISN-CYBMUJFWSA-N -1 0 358.438 4.120 20 30 FIEDRM Cc1cc(Br)ccc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000054735539 1122195460 /nfs/dbraw/zinc/19/54/60/1122195460.db2.gz GQKZJAFPUCSUEI-ZDUSSCGKSA-N -1 0 355.191 4.389 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(F)c3ccccc3c2)n1 ZINC000497415176 1122215499 /nfs/dbraw/zinc/21/54/99/1122215499.db2.gz GUVJLVHYLIVZTQ-CQSZACIVSA-N -1 0 368.389 4.102 20 30 FIEDRM N#CC(=C([O-])c1ncoc1C1CC1)c1nc(-c2c(F)cccc2F)cs1 ZINC000497440533 1122233551 /nfs/dbraw/zinc/23/35/51/1122233551.db2.gz GXFRSIJSAMDNTC-JTQLQIEISA-N -1 0 371.368 4.444 20 30 FIEDRM COCCOc1ccc(N=Cc2cc(Br)ccc2O)c(C)c1 ZINC000917559970 1122353262 /nfs/dbraw/zinc/35/32/62/1122353262.db2.gz YIPFWFIHZFFDGE-UHFFFAOYSA-N -1 0 364.239 4.239 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)Cc1ccccc1Cl ZINC000920101643 1123349938 /nfs/dbraw/zinc/34/99/38/1123349938.db2.gz GYWPTCKWBYZXIH-OAHLLOKOSA-N -1 0 350.805 4.264 20 30 FIEDRM C=C[C@@H](CC(=O)N(CCCC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC000262997805 1123351670 /nfs/dbraw/zinc/35/16/70/1123351670.db2.gz ULECSYMDHZNPQV-IBGZPJMESA-N -1 0 351.446 4.240 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1oc2c(c1C)c(C)ccc2C ZINC000920107089 1123352503 /nfs/dbraw/zinc/35/25/03/1123352503.db2.gz MYLFWFRWUALKLX-INIZCTEOSA-N -1 0 354.450 4.377 20 30 FIEDRM CC(=O)Nc1cc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])ccc1Cl ZINC000920387676 1123451183 /nfs/dbraw/zinc/45/11/83/1123451183.db2.gz PWXNIVCACGICQE-UHFFFAOYSA-N -1 0 368.176 4.316 20 30 FIEDRM CCOc1ccc(C(CC)=NNc2cccc(C(=O)[O-])c2)cc1OCC ZINC000920824875 1123518994 /nfs/dbraw/zinc/51/89/94/1123518994.db2.gz BEDJAKNXPSPRHP-UHFFFAOYSA-N -1 0 356.422 4.408 20 30 FIEDRM Cc1cc([N+](=O)[O-])ccc1C([O-])=C(C#N)c1nc2cc(F)ccc2s1 ZINC000609321505 1123538559 /nfs/dbraw/zinc/53/85/59/1123538559.db2.gz BFNYRZUMCNYAEC-ZDUSSCGKSA-N -1 0 355.350 4.142 20 30 FIEDRM O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc(Br)cc2Cl)c1 ZINC000920941984 1123539704 /nfs/dbraw/zinc/53/97/04/1123539704.db2.gz DDIXAZQKZOFYKI-UHFFFAOYSA-N -1 0 355.575 4.467 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC000921133428 1123568581 /nfs/dbraw/zinc/56/85/81/1123568581.db2.gz MHTSECTUVZICEY-SCLBCKFNSA-N -1 0 362.404 4.386 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2c3c(sc2-n2cccc2)CCC3)n1 ZINC000136093597 1123837471 /nfs/dbraw/zinc/83/74/71/1123837471.db2.gz XRJZFWKIMBWSOJ-ZDUSSCGKSA-N -1 0 353.472 4.283 20 30 FIEDRM Cc1c(Cl)cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1Cl ZINC000610057627 1123929944 /nfs/dbraw/zinc/92/99/44/1123929944.db2.gz OZTCMCRUAUVBFY-UHFFFAOYSA-N -1 0 359.209 4.113 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccn(-c3ccccc3F)n2)n1 ZINC000080451604 1123966133 /nfs/dbraw/zinc/96/61/33/1123966133.db2.gz LEHNSYGGZUEBSQ-GFCCVEGCSA-N -1 0 354.410 4.081 20 30 FIEDRM CC(C)NC(=O)Nc1ccccc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000080455428 1123966214 /nfs/dbraw/zinc/96/62/14/1123966214.db2.gz ZZBFFGYBHFGNGL-AWEZNQCLSA-N -1 0 370.478 4.286 20 30 FIEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000068338242 1124197401 /nfs/dbraw/zinc/19/74/01/1124197401.db2.gz FLROEWSZSSQBGN-CHWSQXEVSA-N -1 0 371.792 4.067 20 30 FIEDRM C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000108252172 1124270918 /nfs/dbraw/zinc/27/09/18/1124270918.db2.gz SJBGYXGBUCDUSF-LLVKDONJSA-N -1 0 368.430 4.017 20 30 FIEDRM COc1ccccc1N=c1[n-]nc(SCc2cccc(C#N)c2F)s1 ZINC000513252746 1124705818 /nfs/dbraw/zinc/70/58/18/1124705818.db2.gz NSBYYMMEBUZPJI-UHFFFAOYSA-N -1 0 372.450 4.015 20 30 FIEDRM Cc1ccccc1OCCCC(=O)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000069572248 1124991553 /nfs/dbraw/zinc/99/15/53/1124991553.db2.gz DTPQPHSXPSMCOR-FYWRMAATSA-N -1 0 359.447 4.111 20 30 FIEDRM Cc1ccc(-c2ccc(C([O-])=C(C#N)c3nnc4n3CCCCC4)s2)o1 ZINC000181529877 1124999754 /nfs/dbraw/zinc/99/97/54/1124999754.db2.gz VIUCKNQWOIHLOS-CYBMUJFWSA-N -1 0 366.446 4.125 20 30 FIEDRM Cc1nc(-c2ccccc2)sc1C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000041496118 208285192 /nfs/dbraw/zinc/28/51/92/208285192.db2.gz HBWKIMSAFXOINF-CQSZACIVSA-N -1 0 358.426 4.485 20 30 FIEDRM N#C[C@@H](C(=O)c1c[nH]nc1-c1ccc(Cl)s1)c1nc2ccccc2[nH]1 ZINC000188649286 568045009 /nfs/dbraw/zinc/04/50/09/568045009.db2.gz FCWMSOBJHPPHFH-VIFPVBQESA-N -1 0 367.821 4.158 20 30 FIEDRM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000066814196 568071002 /nfs/dbraw/zinc/07/10/02/568071002.db2.gz RGJJREIMVMUWIN-LLVKDONJSA-N -1 0 368.430 4.160 20 30 FIEDRM CC(C)(C)OC(=O)N[C@@](C)(C(=O)[O-])c1ccc(-c2ccc(C#N)cc2)cc1 ZINC000863892713 939243268 /nfs/dbraw/zinc/24/32/68/939243268.db2.gz GOUSVGGOOGMERO-OAQYLSRUSA-N -1 0 366.417 4.050 20 30 FIEDRM O=C([O-])c1ccc(-c2ccc(C=CC(=O)c3ccc4[nH]c(=O)[nH]c4c3)o2)cc1 ZINC001318292701 960915676 /nfs/dbraw/zinc/91/56/76/960915676.db2.gz WBNLUVUMPBOKAH-RMKNXTFCSA-N -1 0 374.352 4.123 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cnc(Cc3ccc(F)cc3)s2)n1 ZINC000066229989 1125518210 /nfs/dbraw/zinc/51/82/10/1125518210.db2.gz ALBFELORMSHYES-ZDUSSCGKSA-N -1 0 357.435 4.128 20 30 FIEDRM N#CCc1cccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)c1 ZINC000619461300 1125596020 /nfs/dbraw/zinc/59/60/20/1125596020.db2.gz JBJQZXNMKHICOL-UHFFFAOYSA-N -1 0 364.426 4.346 20 30 FIEDRM N#Cc1ccc(CN=c2[n-]nc(-c3ccccc3Cl)s2)cc1Cl ZINC000619747164 1125689911 /nfs/dbraw/zinc/68/99/11/1125689911.db2.gz HKTWFSGJWOVZMO-UHFFFAOYSA-N -1 0 361.257 4.418 20 30 FIEDRM CC(C)S(=O)(=O)[N-]C(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000049417407 1079527538 /nfs/dbraw/zinc/52/75/38/1079527538.db2.gz SBQMCNXNWBURRF-UHFFFAOYSA-N -1 0 352.264 4.251 20 30 FIEDRM Cc1ccsc1S(=O)(=O)[N-]c1ccccc1S[C@@H](C)CC#N ZINC000610194311 1079902273 /nfs/dbraw/zinc/90/22/73/1079902273.db2.gz RJAKPTURRHKOQB-LBPRGKRZSA-N -1 0 352.506 4.252 20 30 FIEDRM COc1sc(/C=C/C(=O)c2ccc([O-])c(F)c2)cc1Br ZINC000160243596 1080014397 /nfs/dbraw/zinc/01/43/97/1080014397.db2.gz JELRDEAQSPAFPO-HWKANZROSA-N -1 0 357.200 4.260 20 30 FIEDRM O=C1/C(=C/c2cccc([N+](=O)[O-])c2)CC/C1=C\c1ccc([O-])c([N+](=O)[O-])c1 ZINC000023609101 1081002292 /nfs/dbraw/zinc/00/22/92/1081002292.db2.gz XEQMSAYCBFQDMJ-VOMDNODZSA-N -1 0 366.329 4.039 20 30 FIEDRM O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(F)c(Br)c1 ZINC000207541744 1081015010 /nfs/dbraw/zinc/01/50/10/1081015010.db2.gz CTLIJNCXOPYDKT-KTAJNNJTSA-N -1 0 366.142 4.098 20 30 FIEDRM C[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000076765823 1081383561 /nfs/dbraw/zinc/38/35/61/1081383561.db2.gz DNGSNPFAOPGMKO-VHSXEESVSA-N -1 0 350.267 4.465 20 30 FIEDRM C=C(Cl)COc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000748149088 1081627388 /nfs/dbraw/zinc/62/73/88/1081627388.db2.gz YPYBKPHZDLZWOG-OQFOIZHKSA-N -1 0 359.765 4.328 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCC(=O)c2ccc(C)c(C)c2)c(C)c1 ZINC000048475645 1081823788 /nfs/dbraw/zinc/82/37/88/1081823788.db2.gz NBGOKQFPUDRIBZ-UHFFFAOYSA-N -1 0 373.474 4.229 20 30 FIEDRM COc1cc(C(=O)/C=C/c2cccc(O[C@H](C)C(=O)[O-])c2)ccc1SC ZINC000050234549 1081952026 /nfs/dbraw/zinc/95/20/26/1081952026.db2.gz IYKOOVJEQNRPAF-BUUCAEBMSA-N -1 0 372.442 4.165 20 30 FIEDRM CC(=O)c1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)ccc1C ZINC000684008208 1082066761 /nfs/dbraw/zinc/06/67/61/1082066761.db2.gz AJQGLPYIGJBNRK-HNNXBMFYSA-N -1 0 352.390 4.437 20 30 FIEDRM CCSc1nccnc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000430518780 1082155896 /nfs/dbraw/zinc/15/58/96/1082155896.db2.gz GKCXSLBTADPCOC-JTQLQIEISA-N -1 0 374.878 4.342 20 30 FIEDRM O=C([O-])c1csc(/C=C/C(=O)c2ccc(Br)c(F)c2)c1 ZINC000782208384 1082202245 /nfs/dbraw/zinc/20/22/45/1082202245.db2.gz ZQHKGTKDGQRCPH-DUXPYHPUSA-N -1 0 355.184 4.244 20 30 FIEDRM N#C[C@H](C(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1)c1ccccn1 ZINC000430526655 1082228744 /nfs/dbraw/zinc/22/87/44/1082228744.db2.gz SQLPQHRDLBKGFK-LBPRGKRZSA-N -1 0 357.200 4.064 20 30 FIEDRM O=C(C1CCCCC1)N1CC[C@@H](/N=C\c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000255267243 1082313144 /nfs/dbraw/zinc/31/31/44/1082313144.db2.gz KEIVLXJTLOWAQP-IZBZYRJBSA-N -1 0 369.292 4.299 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cc(-c3ccccc3)[nH]n2)s1 ZINC000430583794 1082524917 /nfs/dbraw/zinc/52/49/17/1082524917.db2.gz NIHJWPWZIRNNQP-CYBMUJFWSA-N -1 0 350.447 4.321 20 30 FIEDRM CC(=O)Nc1ccc(C)c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430587244 1082533028 /nfs/dbraw/zinc/53/30/28/1082533028.db2.gz YQJHFDHBIKNUQO-HNNXBMFYSA-N -1 0 355.463 4.198 20 30 FIEDRM Cc1noc(-c2ccccc2C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)n1 ZINC000430609973 1082647646 /nfs/dbraw/zinc/64/76/46/1082647646.db2.gz JCKSPPPPESYMOC-CQSZACIVSA-N -1 0 366.446 4.289 20 30 FIEDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2SCCC#N)sc1C ZINC000091017525 1083273537 /nfs/dbraw/zinc/27/35/37/1083273537.db2.gz RYLXTPUMQHCWJU-UHFFFAOYSA-N -1 0 352.506 4.172 20 30 FIEDRM C=C(C)[C@H](CC(=O)Nc1cc(Br)cc(Cl)c1[O-])OCC ZINC000535656950 1083285690 /nfs/dbraw/zinc/28/56/90/1083285690.db2.gz WFUIXIYOPXQKMV-LBPRGKRZSA-N -1 0 362.651 4.118 20 30 FIEDRM CN(C)c1nc2sc(C([O-])=C(C#N)c3nc(C4CC4)cs3)cc2s1 ZINC000647379024 1083369281 /nfs/dbraw/zinc/36/92/81/1083369281.db2.gz WFEIDRCDBPDAPV-SECBINFHSA-N -1 0 374.516 4.248 20 30 FIEDRM N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(C#N)c([O-])c3)c2)cc1 ZINC000188277922 1083433741 /nfs/dbraw/zinc/43/37/41/1083433741.db2.gz NHIDMYCRWAMWBL-UHFFFAOYSA-N -1 0 355.353 4.180 20 30 FIEDRM O=C(/C=C\c1csc(-c2cccs2)n1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000255711414 1083438097 /nfs/dbraw/zinc/43/80/97/1083438097.db2.gz NRRYMLLEPMXLJY-XQRVVYSFSA-N -1 0 358.400 4.382 20 30 FIEDRM N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(C#N)c([O-])c3)cc2)c1 ZINC000188368494 1083529680 /nfs/dbraw/zinc/52/96/80/1083529680.db2.gz ZIJTYOKLKWIZGR-UHFFFAOYSA-N -1 0 355.353 4.180 20 30 FIEDRM COC(C)(C)c1nc(C)c(C([O-])=C(C#N)c2nc(C(C)C)cs2)s1 ZINC000685788481 1083949288 /nfs/dbraw/zinc/94/92/88/1083949288.db2.gz AIFHEWHEQFRSIX-NSHDSACASA-N -1 0 363.508 4.403 20 30 FIEDRM CC(C)n1cc(C#N)c(=NC(=O)C23CC4(C)CC(C)(CC(C)(C4)C2)C3)[n-]1 ZINC000548519920 1084018848 /nfs/dbraw/zinc/01/88/48/1084018848.db2.gz YXVDGAJGWWBQIO-UHFFFAOYSA-N -1 0 354.498 4.083 20 30 FIEDRM CC(C)CCn1cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)nn1 ZINC000158784748 1084125106 /nfs/dbraw/zinc/12/51/06/1084125106.db2.gz GTUJNLZODYVFLJ-LBPRGKRZSA-N -1 0 373.869 4.077 20 30 FIEDRM CCOc1cc(/C=C/C(=O)c2ccc([O-])c(F)c2)cc(Cl)c1OC ZINC000728438171 1084143281 /nfs/dbraw/zinc/14/32/81/1084143281.db2.gz BLPLCUWXQRLFAY-GQCTYLIASA-N -1 0 350.773 4.488 20 30 FIEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2csc(-c3cccs3)n2)cc1 ZINC000728440093 1084180061 /nfs/dbraw/zinc/18/00/61/1084180061.db2.gz IPRJPJRONSMPPD-BQYQJAHWSA-N -1 0 355.440 4.395 20 30 FIEDRM N#CC(=C([O-])c1ccc(C#N)c(Cl)c1)c1nc2ccccc2n1C(F)F ZINC000548630251 1084364465 /nfs/dbraw/zinc/36/44/65/1084364465.db2.gz SAEPCSRERFIKQE-GFCCVEGCSA-N -1 0 370.746 4.447 20 30 FIEDRM N#Cc1cc(S(=O)(=O)[N-]c2ncccc2-c2ccccc2)ccc1Cl ZINC000180123215 1084611361 /nfs/dbraw/zinc/61/13/61/1084611361.db2.gz WQBPESDKISRXLD-UHFFFAOYSA-N -1 0 369.833 4.074 20 30 FIEDRM C=C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1)c1ccccc1 ZINC000431809644 1084641825 /nfs/dbraw/zinc/64/18/25/1084641825.db2.gz FGNZBAOUQCXKGV-KSSFIOAISA-N -1 0 357.837 4.332 20 30 FIEDRM C[S@](=O)c1ccc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cc1 ZINC000119987757 1084767666 /nfs/dbraw/zinc/76/76/66/1084767666.db2.gz PBQLOLCCZIZWFD-YEBMWUKDSA-N -1 0 374.874 4.177 20 30 FIEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1ccc([N+](=O)[O-])c(Cl)c1)CC2 ZINC000588509408 1084807768 /nfs/dbraw/zinc/80/77/68/1084807768.db2.gz VGFBDLCDECSLPW-UXBLZVDNSA-N -1 0 361.737 4.060 20 30 FIEDRM CC(C)n1cc(C#N)c(=NC(=O)c2ccc(O[C@H](C)c3ccccc3)cc2)[n-]1 ZINC000472556072 1084843312 /nfs/dbraw/zinc/84/33/12/1084843312.db2.gz ADNHLZXPVVICQX-MRXNPFEDSA-N -1 0 374.444 4.150 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccc3ccccc3c2)c(F)c1 ZINC000075040224 1084937793 /nfs/dbraw/zinc/93/77/93/1084937793.db2.gz CHEKDAHETRWZLI-UHFFFAOYSA-N -1 0 357.406 4.175 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c(C)c1 ZINC000048476696 1085000689 /nfs/dbraw/zinc/00/06/89/1085000689.db2.gz WYPIRHJDLCQHCX-OLZOCXBDSA-N -1 0 363.401 4.317 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1C ZINC000048474586 1085000756 /nfs/dbraw/zinc/00/07/56/1085000756.db2.gz OSQOQUOMBVOYPL-OLZOCXBDSA-N -1 0 363.401 4.317 20 30 FIEDRM N#CC(=C([O-])C=Cc1ccc2c(c1)OCO2)c1nc(-c2ccccc2)cs1 ZINC000255904386 1085045274 /nfs/dbraw/zinc/04/52/74/1085045274.db2.gz VSWKRHYNFPXYQR-IOBAAEILSA-N -1 0 374.421 4.428 20 30 FIEDRM C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000186206184 1085048831 /nfs/dbraw/zinc/04/88/31/1085048831.db2.gz UQXBKIYCZBQKEC-SECBINFHSA-N -1 0 366.364 4.314 20 30 FIEDRM C[S@](=O)c1cccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)c1 ZINC000613760274 1085247535 /nfs/dbraw/zinc/24/75/35/1085247535.db2.gz OTBBSTPOPKQJIC-LMKMVOKYSA-N -1 0 366.467 4.038 20 30 FIEDRM Cc1cccc(OCCC(=O)[N-]S(=O)(=O)[C@H](C)c2ccccc2)c1C ZINC000077881908 1086722601 /nfs/dbraw/zinc/72/26/01/1086722601.db2.gz CSYKDTHMKCVDEG-MRXNPFEDSA-N -1 0 361.463 4.120 20 30 FIEDRM Cn1c(C(C#N)=C([O-])c2sccc2SC(F)F)nc2ccccc21 ZINC000107407967 1086798793 /nfs/dbraw/zinc/79/87/93/1086798793.db2.gz IEWYOPZEVRZMFF-VIFPVBQESA-N -1 0 363.414 4.440 20 30 FIEDRM Cc1onc(C2CC2)c1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000583794762 1086965028 /nfs/dbraw/zinc/96/50/28/1086965028.db2.gz VQNAXMIJXXUIKI-NSHDSACASA-N -1 0 356.332 4.095 20 30 FIEDRM CC(C)(C)c1[n-]n(Cc2ncc(-c3ccccc3F)o2)c(=O)c1CCC#N ZINC000536151977 1087004976 /nfs/dbraw/zinc/00/49/76/1087004976.db2.gz VUYJWTGGHWPRSP-UHFFFAOYSA-N -1 0 368.412 4.185 20 30 FIEDRM N#CC(=C([O-])c1cncc(F)c1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000151637619 1087183024 /nfs/dbraw/zinc/18/30/24/1087183024.db2.gz WXDXSLUPECBGDU-AWEZNQCLSA-N -1 0 357.797 4.488 20 30 FIEDRM COc1ccc2c(c1)CCC[C@@H]2CC(=O)[N-]S(=O)(=O)c1ccccc1C ZINC000065763312 1087746983 /nfs/dbraw/zinc/74/69/83/1087746983.db2.gz JTKWNQOGBAZLSQ-MRXNPFEDSA-N -1 0 373.474 4.159 20 30 FIEDRM CCCCCc1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)n[nH]1 ZINC000659089244 1088045903 /nfs/dbraw/zinc/04/59/03/1088045903.db2.gz CCSSAXLJXZRIBG-ZDUSSCGKSA-N -1 0 356.426 4.381 20 30 FIEDRM CC(C)Oc1ccc(NC(=O)CC2(C(=O)[O-])CCCCCC2)cc1C#N ZINC000434922243 1089132621 /nfs/dbraw/zinc/13/26/21/1089132621.db2.gz AFJLTEXEPCHGPS-UHFFFAOYSA-N -1 0 358.438 4.099 20 30 FIEDRM Cc1cn(-c2ccc(F)cc2)nc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000549191556 1089183120 /nfs/dbraw/zinc/18/31/20/1089183120.db2.gz VKBXCLKEOQKKFB-IBGZPJMESA-N -1 0 370.387 4.358 20 30 FIEDRM C[C@H](Oc1cccc(/C=C\C(=O)c2ccccc2C(F)(F)F)c1)C(=O)[O-] ZINC000208112988 1089417893 /nfs/dbraw/zinc/41/78/93/1089417893.db2.gz ZENCAUCDCLYHOV-PRDAAYKISA-N -1 0 364.319 4.453 20 30 FIEDRM CC(=O)c1ncc(C(=O)Nc2sc3c(c2C#N)[C@H](C)[C@@H](C)CC3)s1 ZINC000415742117 1089886494 /nfs/dbraw/zinc/88/64/94/1089886494.db2.gz ZYGAJEQZFDHNFE-DTWKUNHWSA-N -1 0 359.476 4.217 20 30 FIEDRM CCCc1nc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)co1 ZINC000549412511 1090279236 /nfs/dbraw/zinc/27/92/36/1090279236.db2.gz YVTCTFSEDIGZFJ-AWEZNQCLSA-N -1 0 362.414 4.112 20 30 FIEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3csc(C4CCCCC4)n3)nc1-2 ZINC000584712238 1090766004 /nfs/dbraw/zinc/76/60/04/1090766004.db2.gz IHQMUEWXJXZMEW-CYBMUJFWSA-N -1 0 365.462 4.261 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)nn1[C@H](C)C1CC1 ZINC000584757206 1090839196 /nfs/dbraw/zinc/83/91/96/1090839196.db2.gz WTPKBMKKSSRUNW-TZMCWYRMSA-N -1 0 356.495 4.407 20 30 FIEDRM C=CCOc1ccc(CNc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1OC ZINC000417612580 1090943236 /nfs/dbraw/zinc/94/32/36/1090943236.db2.gz REQSQISYYGUTKE-HNNXBMFYSA-N -1 0 355.434 4.135 20 30 FIEDRM C[C@@H](Cc1ccc(NCc2cccc(OCCCC#N)c2)cc1)C(=O)[O-] ZINC000417614395 1090943823 /nfs/dbraw/zinc/94/38/23/1090943823.db2.gz VMTNUBDRSRLDSB-INIZCTEOSA-N -1 0 352.434 4.244 20 30 FIEDRM C=CCOc1cccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000511737062 1091578970 /nfs/dbraw/zinc/57/89/70/1091578970.db2.gz YRMMIOXOBLZBFX-UHFFFAOYSA-N -1 0 357.353 4.071 20 30 FIEDRM C[C@H](C(=O)[N-][C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)C(F)(F)F ZINC000511743878 1091601937 /nfs/dbraw/zinc/60/19/37/1091601937.db2.gz YFFVZXRMESUUCE-MUWHJKNJSA-N -1 0 365.220 4.206 20 30 FIEDRM Cc1ccc(-c2cc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)n[nH]2)cc1C ZINC000187235397 1091853240 /nfs/dbraw/zinc/85/32/40/1091853240.db2.gz GYNRVDQATZLELQ-OAHLLOKOSA-N -1 0 355.401 4.060 20 30 FIEDRM COc1c(Br)cc(F)cc1Nc1cc(C#N)c(F)cc1[O-] ZINC001211715319 1092143673 /nfs/dbraw/zinc/14/36/73/1092143673.db2.gz QNOOCPHOFWGNAN-UHFFFAOYSA-N -1 0 355.138 4.057 20 30 FIEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1ccc(OCC2CC2)cc1 ZINC000120973995 1092210275 /nfs/dbraw/zinc/21/02/75/1092210275.db2.gz MENNKOCKZKZBMQ-LJQANCHMSA-N -1 0 372.424 4.471 20 30 FIEDRM N#CC(=C([O-])c1ccc(OCc2ccccn2)cc1)c1nc2ccccc2o1 ZINC000442677721 1092718285 /nfs/dbraw/zinc/71/82/85/1092718285.db2.gz IHZGBQXWNHTZRY-GOSISDBHSA-N -1 0 369.380 4.292 20 30 FIEDRM CC(C)(C)c1cc(NC(=O)c2ccc(C#N)c([O-])c2)n(Cc2ccccc2)n1 ZINC000442951214 1092869766 /nfs/dbraw/zinc/86/97/66/1092869766.db2.gz ANFCGFJMYCIMQA-UHFFFAOYSA-N -1 0 374.444 4.058 20 30 FIEDRM Cc1ccc(-c2nc(NC(=O)c3ccc(C#N)c([O-])c3)sc2C)s1 ZINC000442964500 1092892546 /nfs/dbraw/zinc/89/25/46/1092892546.db2.gz IJGKVUMBHNLCHH-UHFFFAOYSA-N -1 0 355.444 4.318 20 30 FIEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000190327166 1093006730 /nfs/dbraw/zinc/00/67/30/1093006730.db2.gz YEQNRUPCQSCENJ-UHFFFAOYSA-N -1 0 359.209 4.113 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2csc(-c3ncccc3F)n2)n1 ZINC000509855582 1093542529 /nfs/dbraw/zinc/54/25/29/1093542529.db2.gz ZBWQVGBXGFSYTM-JTQLQIEISA-N -1 0 372.450 4.414 20 30 FIEDRM CC(C)c1nc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cs1 ZINC000114619331 1093659615 /nfs/dbraw/zinc/65/96/15/1093659615.db2.gz ATBMZCXUXBFRQB-LBPRGKRZSA-N -1 0 354.460 4.275 20 30 FIEDRM C=CCOc1cc(OC)ccc1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474447316 1093793325 /nfs/dbraw/zinc/79/33/25/1093793325.db2.gz QIEPDHNRAOHUNW-UHFFFAOYSA-N -1 0 351.761 4.010 20 30 FIEDRM CCOc1ccc(-c2nc(C([O-])=C(C#N)c3nc(C)cs3)cs2)cc1 ZINC000041515506 1094638947 /nfs/dbraw/zinc/63/89/47/1094638947.db2.gz SMAAGVANNLSRQU-CQSZACIVSA-N -1 0 369.471 4.464 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2NC(=O)c2cccs2)n1 ZINC000041516518 1094642869 /nfs/dbraw/zinc/64/28/69/1094642869.db2.gz CAIRICWKLGGHTC-ZDUSSCGKSA-N -1 0 367.455 4.255 20 30 FIEDRM COc1cc(C([O-])=C(C#N)c2nc(-c3ccc(C)cc3)cs2)cc(C)n1 ZINC000501379105 1094670632 /nfs/dbraw/zinc/67/06/32/1094670632.db2.gz ZVZSIIBVKFSSBX-INIZCTEOSA-N -1 0 363.442 4.321 20 30 FIEDRM COc1ccc(C([O-])=C(C#N)c2nc3ccccc3s2)c(OC(F)F)c1 ZINC000475027603 1095202514 /nfs/dbraw/zinc/20/25/14/1095202514.db2.gz CPGXTDQTVKSPBJ-LBPRGKRZSA-N -1 0 374.368 4.396 20 30 FIEDRM N#CC(=C([O-])c1cnccc1Oc1ccccc1)c1cnc2ccccc2n1 ZINC000502741199 1095758382 /nfs/dbraw/zinc/75/83/82/1095758382.db2.gz PORSFVGQPQMTIX-INIZCTEOSA-N -1 0 366.380 4.307 20 30 FIEDRM N#Cc1cc(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)ccc1Cl ZINC000533165204 1098836378 /nfs/dbraw/zinc/83/63/78/1098836378.db2.gz KOJOUIQFTXZFMM-UHFFFAOYSA-N -1 0 369.833 4.074 20 30 FIEDRM CCCCN(C(=O)c1cc(C#N)c(SC)[n-]c1=O)[C@H]1CCC[C@@H](C)C1 ZINC000516035688 1099133852 /nfs/dbraw/zinc/13/38/52/1099133852.db2.gz LMNPGZSFVCVVCD-HIFRSBDPSA-N -1 0 361.511 4.202 20 30 FIEDRM C=CCc1cc(/C=C(\CC(=O)[O-])c2nc3ccccc3o2)cc(OC)c1O ZINC000436938197 1099451204 /nfs/dbraw/zinc/45/12/04/1099451204.db2.gz IFJMJBWAUYTYAZ-XNTDXEJSSA-N -1 0 365.385 4.286 20 30 FIEDRM N#Cc1cccc(COc2ccc(NC(=O)c3c([O-])cccc3F)cc2)c1 ZINC000436989938 1099495189 /nfs/dbraw/zinc/49/51/89/1099495189.db2.gz PRWFCWVABXJMOR-UHFFFAOYSA-N -1 0 362.360 4.234 20 30 FIEDRM N#Cc1ccc(OCC(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)cc1 ZINC000127730977 1099496489 /nfs/dbraw/zinc/49/64/89/1099496489.db2.gz NTLAYALHQSVCTB-UHFFFAOYSA-N -1 0 371.607 4.242 20 30 FIEDRM CCCc1cc(C([O-])=C(C#N)c2nc(C(=O)OCC)cs2)sc1C ZINC000517921820 1100795736 /nfs/dbraw/zinc/79/57/36/1100795736.db2.gz LRHLXPONMSOTDM-GFCCVEGCSA-N -1 0 362.476 4.132 20 30 FIEDRM O=C(CC1CCCCC1)[N-]S(=O)(=O)c1ccccc1Br ZINC000048519582 1100809589 /nfs/dbraw/zinc/80/95/89/1100809589.db2.gz FUEOVNURMYQQMR-UHFFFAOYSA-N -1 0 360.273 4.065 20 30 FIEDRM O=C([N-]S(=O)(=O)C=Cc1ccccc1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000048531206 1100929074 /nfs/dbraw/zinc/92/90/74/1100929074.db2.gz ADXQGRXAXPYWCA-ISQLRJPISA-N -1 0 361.385 4.312 20 30 FIEDRM CO[C@@H](C)c1nc(=N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s[n-]1 ZINC000509588523 1100986465 /nfs/dbraw/zinc/98/64/65/1100986465.db2.gz WSDNTVNUSUJXAU-KGLIPLIRSA-N -1 0 364.474 4.379 20 30 FIEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)C(C)(C)c1ccc(Cl)cc1 ZINC000054422645 1102025135 /nfs/dbraw/zinc/02/51/35/1102025135.db2.gz JVPXDLPZHMNCKR-UHFFFAOYSA-N -1 0 351.855 4.271 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nnc3n2CCCCC3)oc2c1c(C)ccc2C ZINC000064102216 1102111237 /nfs/dbraw/zinc/11/12/37/1102111237.db2.gz MDTWUQVDFUOWLC-HNNXBMFYSA-N -1 0 362.433 4.166 20 30 FIEDRM C[S@@](=O)c1ccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cc1 ZINC000051533454 1102149074 /nfs/dbraw/zinc/14/90/74/1102149074.db2.gz PQVMHPRDGGQFFZ-LMKMVOKYSA-N -1 0 366.467 4.038 20 30 FIEDRM N#Cc1cc([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)ccc1F ZINC000440287203 1102170963 /nfs/dbraw/zinc/17/09/63/1102170963.db2.gz ZOQFNJZROICRGA-UHFFFAOYSA-N -1 0 360.797 4.305 20 30 FIEDRM Cc1cccc(S(=O)(=O)[N-]c2cc(-c3cccnc3)ccc2C)c1C#N ZINC000475841161 1102222884 /nfs/dbraw/zinc/22/28/84/1102222884.db2.gz ZODVXCHSWFJZIL-UHFFFAOYSA-N -1 0 363.442 4.038 20 30 FIEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccc(-c2ccccc2F)o1 ZINC000122861736 1102621791 /nfs/dbraw/zinc/62/17/91/1102621791.db2.gz GSZGRZSZLNTKBE-CQSZACIVSA-N -1 0 359.360 4.462 20 30 FIEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1csc(-c2ccccc2)n1 ZINC000122868965 1102622000 /nfs/dbraw/zinc/62/20/00/1102622000.db2.gz UCUKKUMWJDUPPN-AWEZNQCLSA-N -1 0 358.426 4.187 20 30 FIEDRM N#CC(=C([O-])c1csc(-c2ccc(F)cc2)n1)c1nc2ccccc2[nH]1 ZINC000123107728 1102778457 /nfs/dbraw/zinc/77/84/57/1102778457.db2.gz CIXABDPKSKCSEA-CYBMUJFWSA-N -1 0 362.389 4.316 20 30 FIEDRM CCOc1nc2cc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)ccc2[nH]1 ZINC000459343822 1102868773 /nfs/dbraw/zinc/86/87/73/1102868773.db2.gz GMTORWJCJLFZAX-GFCCVEGCSA-N -1 0 368.462 4.206 20 30 FIEDRM CCS[C@H](C(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)C(C)C ZINC000067600197 1102996968 /nfs/dbraw/zinc/99/69/68/1102996968.db2.gz JJDJSZUUTDRMLR-LBPRGKRZSA-N -1 0 369.430 4.128 20 30 FIEDRM CCc1c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cnn1C(C)(C)C ZINC000048830203 1103059079 /nfs/dbraw/zinc/05/90/79/1103059079.db2.gz FVMCCRKPTHWAQG-LBPRGKRZSA-N -1 0 364.371 4.104 20 30 FIEDRM CC(C)Oc1ncccc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000551771138 1103610912 /nfs/dbraw/zinc/61/09/12/1103610912.db2.gz GAMLXJCQVQMJIJ-ZDUSSCGKSA-N -1 0 370.359 4.104 20 30 FIEDRM Cc1csc(-c2cccc([N-]S(=O)(=O)c3cccc(C)c3C#N)c2)n1 ZINC000440828361 1103976089 /nfs/dbraw/zinc/97/60/89/1103976089.db2.gz BVDJJBNSDIRFRV-UHFFFAOYSA-N -1 0 369.471 4.099 20 30 FIEDRM N#CC1CCC(CNC(=O)c2cc(Br)cc(Cl)c2[O-])CC1 ZINC000331295241 1104714481 /nfs/dbraw/zinc/71/44/81/1104714481.db2.gz SHHGQAMZERRYHZ-UHFFFAOYSA-N -1 0 371.662 4.443 20 30 FIEDRM C=C[C@H](CC(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F)c1ccccc1 ZINC000190830811 1105180365 /nfs/dbraw/zinc/18/03/65/1105180365.db2.gz NWTPVQNRSCGXIS-OAHLLOKOSA-N -1 0 373.399 4.128 20 30 FIEDRM C=C[C@@H](CC(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F)c1ccccc1 ZINC000190830793 1105180435 /nfs/dbraw/zinc/18/04/35/1105180435.db2.gz NWTPVQNRSCGXIS-HNNXBMFYSA-N -1 0 373.399 4.128 20 30 FIEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000507950843 1105281723 /nfs/dbraw/zinc/28/17/23/1105281723.db2.gz SEYSPRSMLZOAIK-UHFFFAOYSA-N -1 0 374.771 4.340 20 30 FIEDRM Cc1csc(S(=O)(=O)[N-]c2ccccc2SC[C@H](C)C#N)c1 ZINC000451014452 1106894531 /nfs/dbraw/zinc/89/45/31/1106894531.db2.gz LTQBTQHGGWJKOJ-GFCCVEGCSA-N -1 0 352.506 4.109 20 30 FIEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](c2ccccc2C)C(C)(C)C)cc1C#N ZINC000088418983 1107826582 /nfs/dbraw/zinc/82/65/82/1107826582.db2.gz VCXSIZCAFNPYLQ-INIZCTEOSA-N -1 0 369.490 4.206 20 30 FIEDRM N#CC(=C([O-])c1c[nH]nc1-c1ccsc1)c1nc2ccccc2s1 ZINC000444455353 1107911274 /nfs/dbraw/zinc/91/12/74/1107911274.db2.gz SJRLIMLZUHQPNR-NSHDSACASA-N -1 0 350.428 4.238 20 30 FIEDRM N#C[C@@H](C(=O)c1c[nH]nc1-c1ccsc1)c1ccc(C(F)(F)F)cn1 ZINC000444458467 1107925107 /nfs/dbraw/zinc/92/51/07/1107925107.db2.gz FYVFSAMRQKVPQT-LLVKDONJSA-N -1 0 362.336 4.042 20 30 FIEDRM CCOCc1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3s2)s1 ZINC000453592275 1108650351 /nfs/dbraw/zinc/65/03/51/1108650351.db2.gz QXPLQPRICZJOIE-NSHDSACASA-N -1 0 357.460 4.088 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cc(C)sn3)n2)cc1 ZINC000447522300 1109560104 /nfs/dbraw/zinc/56/01/04/1109560104.db2.gz QAJXPHKHGDGOCZ-ZDUSSCGKSA-N -1 0 355.444 4.074 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2ccc(-c3nc4c(cccc4F)[nH]3)cc2)cc1[O-] ZINC000525962358 1109572758 /nfs/dbraw/zinc/57/27/58/1109572758.db2.gz IBXZGOAMRSRQBZ-UHFFFAOYSA-N -1 0 372.359 4.199 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CC1(c2ccccc2)CC1 ZINC000528911593 1110148363 /nfs/dbraw/zinc/14/83/63/1110148363.db2.gz CIIWQPXZNDUBHQ-GOSISDBHSA-N -1 0 356.425 4.490 20 30 FIEDRM CCOc1cccc(CCC(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)c1 ZINC000528913243 1110148785 /nfs/dbraw/zinc/14/87/85/1110148785.db2.gz MEQRBQXLYCUNPA-IBGZPJMESA-N -1 0 374.440 4.399 20 30 FIEDRM CC(C)(C)Cc1csc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)n1 ZINC000538452113 1111147262 /nfs/dbraw/zinc/14/72/62/1111147262.db2.gz IRHNSUYZPYEGGN-UHFFFAOYSA-N -1 0 369.899 4.058 20 30 FIEDRM Cc1nc(-c2ccc(F)cc2)sc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000041562518 1111668639 /nfs/dbraw/zinc/66/86/39/1111668639.db2.gz HIVFQOAWYSYJBF-OAHLLOKOSA-N -1 0 366.421 4.155 20 30 FIEDRM C=C(C)[C@@H](NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)c1ccc(F)c(F)c1 ZINC000478189118 1111706335 /nfs/dbraw/zinc/70/63/35/1111706335.db2.gz YAROJDLUSJJLEV-CTNGQTDRSA-N -1 0 373.399 4.131 20 30 FIEDRM N#CC(=C([O-])c1coc(-c2ccccc2Cl)n1)c1nc2ccccc2[nH]1 ZINC000553663003 1112044088 /nfs/dbraw/zinc/04/40/88/1112044088.db2.gz URVHEPNHGLTORD-LBPRGKRZSA-N -1 0 362.776 4.361 20 30 FIEDRM CC(C)(C)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1O ZINC000479544297 1112063604 /nfs/dbraw/zinc/06/36/04/1112063604.db2.gz MYALMXJFJQJAIY-UHFFFAOYSA-N -1 0 364.854 4.016 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)c(Cl)c1 ZINC000480267846 1112353470 /nfs/dbraw/zinc/35/34/70/1112353470.db2.gz RJJWAHPPIXCMHS-UHFFFAOYSA-N -1 0 374.771 4.340 20 30 FIEDRM CCc1ccc(CCC(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000042258412 1112953320 /nfs/dbraw/zinc/95/33/20/1112953320.db2.gz RIDJRYKYEGFJEI-UHFFFAOYSA-N -1 0 357.884 4.242 20 30 FIEDRM O=C([N-]S(=O)(=O)C=Cc1ccccc1)c1cc(Cl)sc1Cl ZINC000042319281 1113147103 /nfs/dbraw/zinc/14/71/03/1113147103.db2.gz NTWJDVNRZOFTQV-VOTSOKGWSA-N -1 0 362.259 4.360 20 30 FIEDRM N#CC(=C([O-])c1cc2cc([N+](=O)[O-])ccc2o1)c1nccc2ccccc21 ZINC000483192175 1113463747 /nfs/dbraw/zinc/46/37/47/1113463747.db2.gz CMERBWFRQPWKQI-INIZCTEOSA-N -1 0 357.325 4.379 20 30 FIEDRM COc1cc(C)cnc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000488231978 1113882936 /nfs/dbraw/zinc/88/29/36/1113882936.db2.gz NCCAAKJNYQSLAS-NSHDSACASA-N -1 0 357.822 4.152 20 30 FIEDRM N#Cc1c(F)cccc1CSc1n[n-]c(=NCc2ccc(F)cc2)s1 ZINC000488242561 1113887539 /nfs/dbraw/zinc/88/75/39/1113887539.db2.gz ILWXCVPTGNRSDU-UHFFFAOYSA-N -1 0 374.441 4.014 20 30 FIEDRM C=C[C@@H](CC(=O)N1CCC[C@H]1c1nc(C(=O)[O-])c(C)s1)c1ccccc1 ZINC000910728632 1113898337 /nfs/dbraw/zinc/89/83/37/1113898337.db2.gz VLJDNMZWWBROHX-HOCLYGCPSA-N -1 0 370.474 4.173 20 30 FIEDRM CCCCCOc1cc(/C=C\c2nc(C(=O)[O-])ccc2C#N)ccc1OC ZINC000489061883 1114043661 /nfs/dbraw/zinc/04/36/61/1114043661.db2.gz CGIFMENXRXPEOX-TWGQIWQCSA-N -1 0 366.417 4.399 20 30 FIEDRM COc1ccc(/C=C/C(=O)c2ccc(C)cc2[O-])cc1OCCCC#N ZINC000156706181 1114498497 /nfs/dbraw/zinc/49/84/97/1114498497.db2.gz NLSOYVRUCJCDLP-RMKNXTFCSA-N -1 0 351.402 4.288 20 30 FIEDRM CSc1cccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2C#N)c1 ZINC000571728298 1114500277 /nfs/dbraw/zinc/50/02/77/1114500277.db2.gz IPYIYEPNKOQUHW-UHFFFAOYSA-N -1 0 372.393 4.100 20 30 FIEDRM O=C([N-]S(=O)(=O)C1=Cc2ccccc2CC1)C1(c2ccccc2)CCC1 ZINC000058040555 1115076474 /nfs/dbraw/zinc/07/64/74/1115076474.db2.gz FPAHVCAKTMGGIN-UHFFFAOYSA-N -1 0 367.470 4.382 20 30 FIEDRM Cc1cccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)o3)cc2)c1 ZINC000573356804 1115092986 /nfs/dbraw/zinc/09/29/86/1115092986.db2.gz VOCVGOOCVJUVJA-UHFFFAOYSA-N -1 0 354.387 4.053 20 30 FIEDRM O=C(Cc1ccc(Cl)c(Cl)c1)[N-]S(=O)(=O)C1CCCCC1 ZINC000058078325 1115100198 /nfs/dbraw/zinc/10/01/98/1115100198.db2.gz POULFRDIGZSLIH-UHFFFAOYSA-N -1 0 350.267 4.155 20 30 FIEDRM N#CC(=C([O-])c1cc(F)cc2nccnc21)c1nc2cc(F)ccc2s1 ZINC000592973320 1115272222 /nfs/dbraw/zinc/27/22/22/1115272222.db2.gz CVTRDDDDFCMTFB-LBPRGKRZSA-N -1 0 366.352 4.008 20 30 FIEDRM N#CC(=C([O-])c1ccc(C(F)(F)F)cn1)c1nc2cc(F)ccc2s1 ZINC000592974180 1115272832 /nfs/dbraw/zinc/27/28/32/1115272832.db2.gz PGZGBHNCAOYHBZ-JTQLQIEISA-N -1 0 365.311 4.339 20 30 FIEDRM CC(C)Oc1ccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cn1 ZINC000592974412 1115272920 /nfs/dbraw/zinc/27/29/20/1115272920.db2.gz WMOLUNIVMTVFKC-ZDUSSCGKSA-N -1 0 355.394 4.108 20 30 FIEDRM CCCCc1ccc2nc([N-]S(=O)(=O)c3cccc(C#N)c3)sc2c1 ZINC000058707906 1115309637 /nfs/dbraw/zinc/30/96/37/1115309637.db2.gz CMAIHOUYYOAVAS-UHFFFAOYSA-N -1 0 371.487 4.311 20 30 FIEDRM CC(C)(C#N)c1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)[nH]n2)cc1 ZINC000593276541 1115316407 /nfs/dbraw/zinc/31/64/07/1115316407.db2.gz SRCNBAOOIPXFHL-UHFFFAOYSA-N -1 0 372.494 4.059 20 30 FIEDRM N#CC(=C([O-])c1ccc(Cl)cc1[N+](=O)[O-])c1nc2ccccc2s1 ZINC000046441386 1115356214 /nfs/dbraw/zinc/35/62/14/1115356214.db2.gz LHQAIWFNNCCHJW-NSHDSACASA-N -1 0 357.778 4.348 20 30 FIEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccccc2OCCC(C)C)cc1C#N ZINC000594383089 1115434747 /nfs/dbraw/zinc/43/47/47/1115434747.db2.gz ZAIFJLMWSVQRTH-UHFFFAOYSA-N -1 0 371.462 4.058 20 30 FIEDRM Cc1nnc(-c2cccc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)c2)o1 ZINC000574824969 1115499016 /nfs/dbraw/zinc/49/90/16/1115499016.db2.gz NIKQUCZIVXYQQF-AWEZNQCLSA-N -1 0 366.446 4.289 20 30 FIEDRM O=C([O-])c1cc(C(=O)/C=C\c2cc(F)ccc2Br)cs1 ZINC000761200793 1115617552 /nfs/dbraw/zinc/61/75/52/1115617552.db2.gz QSEHGZSBLJDPNU-RJRFIUFISA-N -1 0 355.184 4.244 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)c(C)c1 ZINC000076758101 1115665842 /nfs/dbraw/zinc/66/58/42/1115665842.db2.gz IUTFBOWFNXCOSL-HIFRSBDPSA-N -1 0 365.401 4.031 20 30 FIEDRM CCCc1ncc(C([O-])=C(C#N)C(=O)c2c(C)[nH]c3ccccc32)s1 ZINC000173915513 1116100520 /nfs/dbraw/zinc/10/05/20/1116100520.db2.gz OZMHZVUHLDPMCS-CYBMUJFWSA-N -1 0 351.431 4.091 20 30 FIEDRM CCCc1ncc(C([O-])=C(C#N)C(=O)c2c(C)[nH]c3ccccc32)s1 ZINC000173915527 1116100566 /nfs/dbraw/zinc/10/05/66/1116100566.db2.gz OZMHZVUHLDPMCS-ZDUSSCGKSA-N -1 0 351.431 4.091 20 30 FIEDRM CCc1c(C([O-])=C(C#N)c2nc3ccccc3s2)cnn1CC(C)C ZINC000535218661 1116284593 /nfs/dbraw/zinc/28/45/93/1116284593.db2.gz GCOKKCBCULEJKA-ZDUSSCGKSA-N -1 0 352.463 4.201 20 30 FIEDRM CC[C@H](C)n1nc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1C ZINC000539791499 1116381095 /nfs/dbraw/zinc/38/10/95/1116381095.db2.gz SWFRBRMMUROKHK-SWLSCSKDSA-N -1 0 365.462 4.171 20 30 FIEDRM CC(C)CN(C(=O)c1cccc(Br)c1[O-])c1ccc(C#N)cc1 ZINC000539840507 1116391317 /nfs/dbraw/zinc/39/13/17/1116391317.db2.gz BCZKGXWNZDNBQF-UHFFFAOYSA-N -1 0 373.250 4.329 20 30 FIEDRM O=C1[C@@H](/N=C/c2cc(Cl)cc(Cl)c2[O-])CCN1C1CCCCC1 ZINC000130131639 1118053609 /nfs/dbraw/zinc/05/36/09/1118053609.db2.gz NOBUCYHOFLZGDP-VYXQJKENSA-N -1 0 355.265 4.052 20 30 FIEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2C#N)c1Cl ZINC000463378958 1118130184 /nfs/dbraw/zinc/13/01/84/1118130184.db2.gz RVSBVCULGCIZQQ-UHFFFAOYSA-N -1 0 374.771 4.340 20 30 FIEDRM N#CC(=C([O-])c1ccn(C2CCCCC2)n1)c1cc(C(F)(F)F)ccn1 ZINC000464402401 1118552081 /nfs/dbraw/zinc/55/20/81/1118552081.db2.gz DSUDXPMKVIWTCC-AWEZNQCLSA-N -1 0 362.355 4.292 20 30 FIEDRM N#CC(=C([O-])c1ccn(C2CCCCC2)n1)c1cc(C(F)(F)F)ccn1 ZINC000464402402 1118552163 /nfs/dbraw/zinc/55/21/63/1118552163.db2.gz DSUDXPMKVIWTCC-CQSZACIVSA-N -1 0 362.355 4.292 20 30 FIEDRM CCO[C@H](C)c1ncc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)s1 ZINC000464429597 1118554811 /nfs/dbraw/zinc/55/48/11/1118554811.db2.gz WWEJYTOFNLDDQU-MWLCHTKSSA-N -1 0 369.368 4.144 20 30 FIEDRM N#CC(=C([O-])c1csc(-c2ccoc2)n1)c1cc(C(F)(F)F)ccn1 ZINC000464421043 1118558794 /nfs/dbraw/zinc/55/87/94/1118558794.db2.gz PACRRODUNIEYAF-LLVKDONJSA-N -1 0 363.320 4.307 20 30 FIEDRM N#CC(=C([O-])c1ncsc1C(F)(F)F)c1cc(C(F)(F)F)ccn1 ZINC000464463810 1118570724 /nfs/dbraw/zinc/57/07/24/1118570724.db2.gz GLTKNQSIEWAYOY-ZETCQYMHSA-N -1 0 365.258 4.066 20 30 FIEDRM N#CC(=C([O-])c1sccc1OC(F)F)c1cc(C(F)(F)F)ccn1 ZINC000464472072 1118574468 /nfs/dbraw/zinc/57/44/68/1118574468.db2.gz CQLHZLAYIGYCHY-MRVPVSSYSA-N -1 0 362.279 4.253 20 30 FIEDRM C[C@H](Oc1cccc(C(=O)/C=C\c2ccc(F)c(C#N)c2Cl)c1)C(=O)[O-] ZINC000761477127 1119072484 /nfs/dbraw/zinc/07/24/84/1119072484.db2.gz LVDWUDRUAHBBOB-JYKYSHPRSA-N -1 0 373.767 4.099 20 30 FIEDRM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccccc2SC[C@@H](C)C#N)c1 ZINC000176707041 1119290136 /nfs/dbraw/zinc/29/01/36/1119290136.db2.gz OMXZGYGOCIQFIU-ZDUSSCGKSA-N -1 0 364.467 4.187 20 30 FIEDRM Cc1nc(C(F)(F)F)ccc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000177749390 1119348792 /nfs/dbraw/zinc/34/87/92/1119348792.db2.gz BZEPAFLCTYQBID-LLVKDONJSA-N -1 0 353.369 4.479 20 30 FIEDRM Cc1cc(Br)cc(C([O-])=C(C#N)c2nc3ccccc3o2)c1 ZINC000184292992 1119601911 /nfs/dbraw/zinc/60/19/11/1119601911.db2.gz BOXTWNLMKHJRPC-CYBMUJFWSA-N -1 0 355.191 4.389 20 30 FIEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ccccc2SC2CCCC2)c1 ZINC000032094457 1120377251 /nfs/dbraw/zinc/37/72/51/1120377251.db2.gz OYEXKMVYCAVGQV-UHFFFAOYSA-N -1 0 358.488 4.394 20 30 FIEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1ccc(F)c(Cl)c1Cl ZINC000761787151 1120402871 /nfs/dbraw/zinc/40/28/71/1120402871.db2.gz XAHFLGZJMHOTPY-UHFFFAOYSA-N -1 0 368.220 4.013 20 30 FIEDRM CCCCOc1cc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)ccc1OC ZINC000915106426 1120814658 /nfs/dbraw/zinc/81/46/58/1120814658.db2.gz RZTQSNUYFLUFCU-XFFZJAGNSA-N -1 0 368.429 4.397 20 30 FIEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\Cc2cccc(COCc3ccco3)c2)c1 ZINC000915112872 1120819804 /nfs/dbraw/zinc/81/98/04/1120819804.db2.gz JDOYHMFLDKIMPM-MTJSOVHGSA-N -1 0 366.373 4.229 20 30 FIEDRM Cc1cc(C)c2c(c1)C(=O)/C(=C\c1cccc(O[C@H](C)C(=O)[O-])c1)CCO2 ZINC000763115621 1121134273 /nfs/dbraw/zinc/13/42/73/1121134273.db2.gz ASUYCQPSRJEDBA-QJISPJEISA-N -1 0 366.413 4.204 20 30 FIEDRM O=C([O-])c1ccc(C(=O)/C=C\c2ccc(Br)c(F)c2)s1 ZINC000763115093 1121134561 /nfs/dbraw/zinc/13/45/61/1121134561.db2.gz XLXWPGWFOCEBBF-RQOWECAXSA-N -1 0 355.184 4.244 20 30 FIEDRM COc1cc(/C=C2\C(=O)c3cccc4c3[C@H]2CCC4)cc([N+](=O)[O-])c1[O-] ZINC000763288728 1121318100 /nfs/dbraw/zinc/31/81/00/1121318100.db2.gz IQGJNLBYMWUKAU-PBTLCFMXSA-N -1 0 351.358 4.009 20 30 FIEDRM Oc1ccc(CN=Nc2ccc(C(F)(F)F)cn2)cc1Br ZINC000915917837 1121348316 /nfs/dbraw/zinc/34/83/16/1121348316.db2.gz QFKXOYAVBVWQRO-UHFFFAOYSA-N -1 0 360.133 4.015 20 30 FIEDRM O=C([O-])CCOc1ccc(C=NNc2ccnc3cc(Cl)ccc32)cc1 ZINC000915934397 1121354306 /nfs/dbraw/zinc/35/43/06/1121354306.db2.gz AYWBOYQMIVJVIG-UHFFFAOYSA-N -1 0 369.808 4.188 20 30 FIEDRM CC(=NNc1nc2ccccc2n1C)c1ccc(-c2ccc(C(=O)[O-])o2)cc1 ZINC000915971233 1121358848 /nfs/dbraw/zinc/35/88/48/1121358848.db2.gz KERMZQVGMQDMEW-UHFFFAOYSA-N -1 0 374.400 4.368 20 30 FIEDRM O=C([O-])Cc1ccc(C(=O)/C=C\c2cnn(-c3ccc(Cl)cc3)c2)cc1 ZINC000915987413 1121366823 /nfs/dbraw/zinc/36/68/23/1121366823.db2.gz CMQSLOQEQLLOQA-KMKOMSMNSA-N -1 0 366.804 4.049 20 30 FIEDRM O=C([O-])Cc1ccc(C(=O)/C=C\c2cccc(OCC(F)(F)F)c2)cc1 ZINC000915989758 1121368713 /nfs/dbraw/zinc/36/87/13/1121368713.db2.gz CWXZMTYQRHMNMA-TWGQIWQCSA-N -1 0 364.319 4.151 20 30 FIEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000916109254 1121416573 /nfs/dbraw/zinc/41/65/73/1121416573.db2.gz ZHPXLGIZKIRAMT-BQYQJAHWSA-N -1 0 353.230 4.278 20 30 FIEDRM CC(=NNc1ccccc1C(F)(F)F)c1cccc(OCC(=O)[O-])c1 ZINC000916259856 1121455123 /nfs/dbraw/zinc/45/51/23/1121455123.db2.gz NVJYJZGRGNYRIV-UHFFFAOYSA-N -1 0 352.312 4.005 20 30 FIEDRM COc1ccc(/C=C/c2nc(C(=O)[O-])ccc2C#N)cc1OCCC(C)C ZINC000496554260 1121464178 /nfs/dbraw/zinc/46/41/78/1121464178.db2.gz OJQLLQKSUQWUQL-QPJJXVBHSA-N -1 0 366.417 4.255 20 30 FIEDRM Cc1ccsc1C(Cc1ccccc1)N=Nc1ccc(C(=O)[O-])cn1 ZINC000763370219 1121492161 /nfs/dbraw/zinc/49/21/61/1121492161.db2.gz MLVWSDMQVRIXLD-UHFFFAOYSA-N -1 0 351.431 4.209 20 30 FIEDRM Cc1nc2sc3c(c2c(N=NCc2ccccc2C(=O)[O-])n1)CCCC3 ZINC000916606072 1121560385 /nfs/dbraw/zinc/56/03/85/1121560385.db2.gz INWMRXUXMJHZFO-UHFFFAOYSA-N -1 0 366.446 4.023 20 30 FIEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000916807405 1121859988 /nfs/dbraw/zinc/85/99/88/1121859988.db2.gz YPYMIIJBUHPSEG-UHFFFAOYSA-N -1 0 352.283 4.159 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cc(C(C)C)[nH]n3)n2)cc1 ZINC000066544372 1122072679 /nfs/dbraw/zinc/07/26/79/1122072679.db2.gz STLNHOCDYYZOOB-CQSZACIVSA-N -1 0 366.446 4.155 20 30 FIEDRM Cc1nc(C)c(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)s1 ZINC000066544808 1122072778 /nfs/dbraw/zinc/07/27/78/1122072778.db2.gz GZSTYKFSEYVJLQ-AWEZNQCLSA-N -1 0 364.455 4.245 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)ccn1C(C)C ZINC000497368018 1122166601 /nfs/dbraw/zinc/16/66/01/1122166601.db2.gz VHKOTOCTYUFDTE-INIZCTEOSA-N -1 0 350.447 4.386 20 30 FIEDRM Cc1nn(-c2ccccc2)c(C)c1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000054734561 1122195361 /nfs/dbraw/zinc/19/53/61/1122195361.db2.gz ZMLDOIRHUCHLHH-INIZCTEOSA-N -1 0 356.385 4.120 20 30 FIEDRM CSc1[n-]c(=O)c(C(=O)O[C@@H](C)c2oc3ccccc3c2C)cc1C#N ZINC001128072824 1122214129 /nfs/dbraw/zinc/21/41/29/1122214129.db2.gz SBRASDANLKKOKJ-NSHDSACASA-N -1 0 368.414 4.353 20 30 FIEDRM CCCCc1oc2ccccc2c1C=CC([O-])=C1C(=O)C=C(C)OC1=O ZINC000917209869 1122224387 /nfs/dbraw/zinc/22/43/87/1122224387.db2.gz BIBNCWMNPBVLEZ-JPMGXVIASA-N -1 0 352.386 4.004 20 30 FIEDRM Cc1nc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)c(C)o1 ZINC000497444687 1122229070 /nfs/dbraw/zinc/22/90/70/1122229070.db2.gz QNAATOBNCHHDBH-SNVBAGLBSA-N -1 0 359.357 4.183 20 30 FIEDRM COc1ccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)cc1Br ZINC000765823718 1122245612 /nfs/dbraw/zinc/24/56/12/1122245612.db2.gz HNRSBMOZSMHXBF-ALCCZGGFSA-N -1 0 361.191 4.052 20 30 FIEDRM Cc1nn(-c2ccccc2)c(C)c1C(=O)/C=C/c1cc(C(=O)[O-])cs1 ZINC000765828075 1122260838 /nfs/dbraw/zinc/26/08/38/1122260838.db2.gz ZVLRKXBREYHEDM-CMDGGOBGSA-N -1 0 352.415 4.145 20 30 FIEDRM N#Cc1cc(S(=O)(=O)[N-]c2ccccc2SC(F)F)ccc1Cl ZINC000917728242 1122419080 /nfs/dbraw/zinc/41/90/80/1122419080.db2.gz QTFNIODQOCDHMS-UHFFFAOYSA-N -1 0 374.821 4.327 20 30 FIEDRM CCOc1ccc(C(=O)[O-])cc1Nc1c(Br)cccc1C#N ZINC001214276405 1122638918 /nfs/dbraw/zinc/63/89/18/1122638918.db2.gz DSOCTSQNFIDPQQ-UHFFFAOYSA-N -1 0 361.195 4.161 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3ncoc3C3CC3)n2)cc1 ZINC000556701823 1123047119 /nfs/dbraw/zinc/04/71/19/1123047119.db2.gz AXTIVSGSISTZGO-AWEZNQCLSA-N -1 0 365.414 4.174 20 30 FIEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1ccccc1Br)CC2 ZINC000920065641 1123325835 /nfs/dbraw/zinc/32/58/35/1123325835.db2.gz CIZSDGNQQMUEOZ-FLIBITNWSA-N -1 0 361.191 4.261 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCCc1cccs1 ZINC000920101441 1123350193 /nfs/dbraw/zinc/35/01/93/1123350193.db2.gz AGRKOMUQEPPIDF-INIZCTEOSA-N -1 0 350.443 4.452 20 30 FIEDRM CC(N=Nc1ccccc1C(=O)[O-])c1ccc(OCC(F)(F)F)cc1 ZINC000920483143 1123462586 /nfs/dbraw/zinc/46/25/86/1123462586.db2.gz WCSJALKRCBBYAA-UHFFFAOYSA-N -1 0 352.312 4.162 20 30 FIEDRM Cc1ccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cc1[N+](=O)[O-] ZINC000609321563 1123536905 /nfs/dbraw/zinc/53/69/05/1123536905.db2.gz GTJNEHDTACBCQM-GFCCVEGCSA-N -1 0 355.350 4.142 20 30 FIEDRM CCOc1ccc([C@H](C)/N=C\c2cc([N+](=O)[O-])ccc2[O-])cc1OCC ZINC000920945329 1123540117 /nfs/dbraw/zinc/54/01/17/1123540117.db2.gz VQSWKWBOKITPAO-RQZLXBNYSA-N -1 0 358.394 4.278 20 30 FIEDRM [O-]c1c(Br)cc(Br)cc1/C=N\CCc1ccco1 ZINC000920945000 1123540320 /nfs/dbraw/zinc/54/03/20/1123540320.db2.gz LVPJVJSPOXHNNL-PXNMLYILSA-N -1 0 373.044 4.172 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H](C)Cc1cccc(F)c1 ZINC000921132975 1123568537 /nfs/dbraw/zinc/56/85/37/1123568537.db2.gz KMSDBNYGUDEZLQ-UGSOOPFHSA-N -1 0 362.404 4.386 20 30 FIEDRM N#C[C@@H](Sc1n[n-]c(=NCc2ccc(F)cc2)s1)C1CCCCC1 ZINC000609648965 1123781578 /nfs/dbraw/zinc/78/15/78/1123781578.db2.gz LPGYTLAZMWNNFD-OAHLLOKOSA-N -1 0 362.499 4.276 20 30 FIEDRM N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc(Cl)c3[O-])cc2)nc1 ZINC000609921613 1123888636 /nfs/dbraw/zinc/88/86/36/1123888636.db2.gz SQZATFHKEXCICQ-UHFFFAOYSA-N -1 0 365.776 4.357 20 30 FIEDRM Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1Br ZINC000080282386 1123961146 /nfs/dbraw/zinc/96/11/46/1123961146.db2.gz WCZWBAXHOLAREC-LBPRGKRZSA-N -1 0 355.191 4.389 20 30 FIEDRM N#CC(=C([O-])c1ccn(-c2cccc(F)c2)n1)c1nc2ccccc2s1 ZINC000067893422 1123983363 /nfs/dbraw/zinc/98/33/63/1123983363.db2.gz QQKAYSDSLUPXST-AWEZNQCLSA-N -1 0 362.389 4.111 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc3cc(Cl)ccc3o2)n1 ZINC000067898325 1123985301 /nfs/dbraw/zinc/98/53/01/1123985301.db2.gz XWCFCMUHBYGRKF-LLVKDONJSA-N -1 0 374.805 4.209 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)nn1-c1ccc(F)cc1 ZINC000180067949 1124219127 /nfs/dbraw/zinc/21/91/27/1124219127.db2.gz PRVVNAKGKDXKGE-HNNXBMFYSA-N -1 0 368.437 4.390 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cc(C)n(-c3ccccc3Cl)n2)n1 ZINC000181097499 1124538355 /nfs/dbraw/zinc/53/83/55/1124538355.db2.gz BERYPZYBENSITF-LBPRGKRZSA-N -1 0 356.838 4.089 20 30 FIEDRM C[C@H](Cc1cccc(F)c1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000069286593 1124720363 /nfs/dbraw/zinc/72/03/63/1124720363.db2.gz NGEKHIKIDCZAGT-SNVBAGLBSA-N -1 0 373.808 4.142 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2cn(C)nc2-c2ccccc2)n1 ZINC000089239398 1124895749 /nfs/dbraw/zinc/89/57/49/1124895749.db2.gz FOWGCJBEYREXNU-CQSZACIVSA-N -1 0 350.447 4.157 20 30 FIEDRM O=C([N-]S(=O)(=O)c1cccc(Cl)c1)C1(c2ccc(Cl)cc2)CC1 ZINC000069543698 1124968123 /nfs/dbraw/zinc/96/81/23/1124968123.db2.gz MORSAWPTGSXAED-UHFFFAOYSA-N -1 0 370.257 4.370 20 30 FIEDRM Cc1sc(-c2ccco2)nc1C(=O)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000069572258 1124991237 /nfs/dbraw/zinc/99/12/37/1124991237.db2.gz DFOBUTFFEYRIEK-PKNBQFBNSA-N -1 0 374.443 4.017 20 30 FIEDRM O=C(Cc1ccccc1F)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000069641533 1125079559 /nfs/dbraw/zinc/07/95/59/1125079559.db2.gz FKTBSLXUSRNZBG-UHFFFAOYSA-N -1 0 368.238 4.082 20 30 FIEDRM Cc1nc(-c2ccccc2)sc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000181757435 1125130943 /nfs/dbraw/zinc/13/09/43/1125130943.db2.gz AOPICOBTOKXRJZ-UHFFFAOYSA-N -1 0 369.471 4.099 20 30 FIEDRM N#CC(=C([O-])c1ccccc1OC1CC1)c1nc2cc(F)ccc2s1 ZINC000672583917 1125185109 /nfs/dbraw/zinc/18/51/09/1125185109.db2.gz MYLUNWQGIAYHGW-CQSZACIVSA-N -1 0 352.390 4.467 20 30 FIEDRM N#CC(=C([O-])c1ccc([N+](=O)[O-])[nH]1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000603836632 568159578 /nfs/dbraw/zinc/15/95/78/568159578.db2.gz QCISFSXDJSTXII-LLVKDONJSA-N -1 0 372.793 4.190 20 30 FIEDRM N#C[C@H](Cc1ccccc1)Sc1n[n-]c(=Nc2ccccc2F)s1 ZINC000603970437 568188262 /nfs/dbraw/zinc/18/82/62/568188262.db2.gz DVSJUWJSOFLAMO-ZDUSSCGKSA-N -1 0 356.451 4.070 20 30 FIEDRM N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000569263077 568317749 /nfs/dbraw/zinc/31/77/49/568317749.db2.gz QHBZKQXRBJJPBM-IBGZPJMESA-N -1 0 374.469 4.053 20 30 FIEDRM Cc1[nH]nc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1C ZINC000604691003 568346089 /nfs/dbraw/zinc/34/60/89/568346089.db2.gz VZBDLWTYOORSCT-CYBMUJFWSA-N -1 0 356.838 4.294 20 30 FIEDRM C=C(C)COc1cccc(NC(=O)N[C@](CC)(C(=O)[O-])c2ccccc2)c1 ZINC000569420978 939374849 /nfs/dbraw/zinc/37/48/49/939374849.db2.gz GJFCECQGHUAHOF-NRFANRHFSA-N -1 0 368.433 4.153 20 30 FIEDRM O=C([O-])COc1cccc(/C=C\C(=O)c2cccc(-c3ccncc3)c2)c1 ZINC000255002723 1080209391 /nfs/dbraw/zinc/20/93/91/1080209391.db2.gz IXUBHVVBWLOZFX-FPLPWBNLSA-N -1 0 359.381 4.108 20 30 FIEDRM C#C[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[O-])c1ccc(Cl)cc1 ZINC001625821206 1080305286 /nfs/dbraw/zinc/30/52/86/1080305286.db2.gz ILCDBWAMJABLDT-AWEZNQCLSA-N -1 0 354.620 4.457 20 30 FIEDRM N#CC(=C([O-])C=Cc1cccnc1)c1nc(-c2c(F)cccc2F)cs1 ZINC000120910465 1081008648 /nfs/dbraw/zinc/00/86/48/1081008648.db2.gz NFDSHSZKEVWRPG-YBJDMEARSA-N -1 0 367.380 4.373 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCC(=O)c1ccc(C)cc1 ZINC000121037155 1081226081 /nfs/dbraw/zinc/22/60/81/1081226081.db2.gz JZPMABCDBSKGJG-SFHVURJKSA-N -1 0 372.424 4.339 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)COc1ccc(C)c(C)c1 ZINC000121039428 1081230961 /nfs/dbraw/zinc/23/09/61/1081230961.db2.gz IMYGMUWRQYKRNH-SFHVURJKSA-N -1 0 360.413 4.064 20 30 FIEDRM COC(=O)N(C)c1ccc(N=Cc2cc(Br)ccc2O)cc1 ZINC000255119178 1081286208 /nfs/dbraw/zinc/28/62/08/1081286208.db2.gz OBMQQBACDZQMKI-UHFFFAOYSA-N -1 0 363.211 4.108 20 30 FIEDRM Cc1ccc(SCC(=O)[N-]S(=O)(=O)c2ccccc2Cl)cc1 ZINC000048576654 1081381871 /nfs/dbraw/zinc/38/18/71/1081381871.db2.gz RKUALHGCBJLHGU-UHFFFAOYSA-N -1 0 355.868 4.086 20 30 FIEDRM O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(OC(F)(F)F)cc1 ZINC000748147951 1081585893 /nfs/dbraw/zinc/58/58/93/1081585893.db2.gz QCEUKTBIFMEBJR-WAPJZHGLSA-N -1 0 353.252 4.095 20 30 FIEDRM COc1cc(C(=O)/C=C/c2cccc(O[C@@H](C)C(=O)[O-])c2)ccc1SC ZINC000050234548 1081952194 /nfs/dbraw/zinc/95/21/94/1081952194.db2.gz IYKOOVJEQNRPAF-XOVSCCBYSA-N -1 0 372.442 4.165 20 30 FIEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000580488749 1081973008 /nfs/dbraw/zinc/97/30/08/1081973008.db2.gz FRLTXLLBHUCHNS-UHFFFAOYSA-N -1 0 366.389 4.084 20 30 FIEDRM N#Cc1cc(-c2cc(F)ccc2OC[C@@H]2CCCCO2)ccc1C(=O)[O-] ZINC000580784814 1082137702 /nfs/dbraw/zinc/13/77/02/1082137702.db2.gz CLCRUGIFSLSHTC-INIZCTEOSA-N -1 0 355.365 4.010 20 30 FIEDRM C[C@H]1CCN(c2cc(C([O-])=C(C#N)c3nc4ccccc4s3)ccn2)C1 ZINC000548134698 1082141480 /nfs/dbraw/zinc/14/14/80/1082141480.db2.gz MQJICEYFZWFAIY-ZFWWWQNUSA-N -1 0 362.458 4.028 20 30 FIEDRM O=C([N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000066504024 1082392732 /nfs/dbraw/zinc/39/27/32/1082392732.db2.gz LWFHWKFCYBRJIH-LSDHHAIUSA-N -1 0 369.364 4.154 20 30 FIEDRM CCCOc1cccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c1 ZINC000128875371 1082502958 /nfs/dbraw/zinc/50/29/58/1082502958.db2.gz JWNREKSNHXICNP-QGZVFWFLSA-N -1 0 363.442 4.484 20 30 FIEDRM CCCOc1cccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c1 ZINC000128875629 1082503237 /nfs/dbraw/zinc/50/32/37/1082503237.db2.gz JWNREKSNHXICNP-KRWDZBQOSA-N -1 0 363.442 4.484 20 30 FIEDRM COc1ccc2nc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)ccc2c1 ZINC000430608161 1082644081 /nfs/dbraw/zinc/64/40/81/1082644081.db2.gz CSAWAASWOIEYBU-CQSZACIVSA-N -1 0 365.458 4.487 20 30 FIEDRM Cc1noc(-c2ccccc2C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)n1 ZINC000430609972 1082647511 /nfs/dbraw/zinc/64/75/11/1082647511.db2.gz JCKSPPPPESYMOC-AWEZNQCLSA-N -1 0 366.446 4.289 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccn(-c3ccc(F)cc3)n2)s1 ZINC000430616097 1082705723 /nfs/dbraw/zinc/70/57/23/1082705723.db2.gz DOXQXUBUAZLLTR-CQSZACIVSA-N -1 0 368.437 4.255 20 30 FIEDRM CCOc1ccccc1CCC(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000077880624 1082797795 /nfs/dbraw/zinc/79/77/95/1082797795.db2.gz SIPJYAQNIAQNBP-HNNXBMFYSA-N -1 0 361.463 4.065 20 30 FIEDRM Cn1c2ccccc2nc1[C@@H](C#N)C(=O)C=Cc1cnc(C(C)(C)C)s1 ZINC000255366874 1082822598 /nfs/dbraw/zinc/82/25/98/1082822598.db2.gz VCGKYKDTBKXDLM-CMUBDUJZSA-N -1 0 364.474 4.217 20 30 FIEDRM COc1cc(/C=C2\Cc3cc(Cl)ccc3C2=O)ccc1OCCC(=O)[O-] ZINC000588460305 1083330341 /nfs/dbraw/zinc/33/03/41/1083330341.db2.gz BXHXSAMAZIKBDS-RIYZIHGNSA-N -1 0 372.804 4.025 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2csc(Cc3ccc(C)cc3)n2)n1 ZINC000091813519 1083347086 /nfs/dbraw/zinc/34/70/86/1083347086.db2.gz FQWXJUDYXXSGAT-CQSZACIVSA-N -1 0 353.472 4.297 20 30 FIEDRM N#CCCC[C@@H](NC(=O)CC1(CC(=O)[O-])CCCCC1)c1ccccc1 ZINC000431153243 1083355181 /nfs/dbraw/zinc/35/51/81/1083355181.db2.gz UTULAPSAZWERKU-GOSISDBHSA-N -1 0 356.466 4.353 20 30 FIEDRM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647377239 1083361555 /nfs/dbraw/zinc/36/15/55/1083361555.db2.gz ZEALBZGYGFRRIB-RLCCDNCMSA-N -1 0 365.458 4.105 20 30 FIEDRM CC(C)Oc1ncc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1Cl ZINC000647378745 1083369348 /nfs/dbraw/zinc/36/93/48/1083369348.db2.gz WSKOHBDTRVRALT-GFCCVEGCSA-N -1 0 361.854 4.346 20 30 FIEDRM Cc1nc([C@H]2CCCOC2)sc1C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000647379825 1083376458 /nfs/dbraw/zinc/37/64/58/1083376458.db2.gz PLCNXMYNIKCJOW-STQMWFEESA-N -1 0 373.503 4.170 20 30 FIEDRM Cn1c2ccc(C([O-])=C(C#N)c3nc(C4CC4)cs3)cc2nc1C(F)F ZINC000647379604 1083377273 /nfs/dbraw/zinc/37/72/73/1083377273.db2.gz YLBROINBXMWVQA-LLVKDONJSA-N -1 0 372.400 4.335 20 30 FIEDRM Cc1ccc(-c2ccc(C([O-])=C(C#N)c3nc(C4CC4)cs3)cc2)nn1 ZINC000647380332 1083378877 /nfs/dbraw/zinc/37/88/77/1083378877.db2.gz DFLMQSGMRBDHAD-INIZCTEOSA-N -1 0 360.442 4.276 20 30 FIEDRM Cc1ccc(N(CCC#N)C(=O)c2ccc(Br)cc2[O-])cc1 ZINC000179484220 1083480065 /nfs/dbraw/zinc/48/00/65/1083480065.db2.gz XNHBYJCYIHWECF-UHFFFAOYSA-N -1 0 359.223 4.024 20 30 FIEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@H](O)c2ccc(-c3ccccc3)cc2)c1 ZINC000588476359 1083753836 /nfs/dbraw/zinc/75/38/36/1083753836.db2.gz UUYSDZQYLZMKIK-OKIKLVOASA-N -1 0 362.385 4.120 20 30 FIEDRM CC(F)(F)c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000188561043 1083816316 /nfs/dbraw/zinc/81/63/16/1083816316.db2.gz NNLJNUZJJHOBLA-UHFFFAOYSA-N -1 0 356.781 4.124 20 30 FIEDRM Cn1cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)c(C2CC2)n1 ZINC000685783852 1083910317 /nfs/dbraw/zinc/91/03/17/1083910317.db2.gz DQRWKLUDWRSFDM-LLVKDONJSA-N -1 0 356.838 4.051 20 30 FIEDRM COCc1ccsc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000181427665 1083912239 /nfs/dbraw/zinc/91/22/39/1083912239.db2.gz KTZJFOLIKVVKMI-LLVKDONJSA-N -1 0 361.373 4.129 20 30 FIEDRM C=C[C@H](CC(=O)Nc1cccc(CSCC(=O)[O-])c1)c1ccccc1 ZINC000431660370 1083915903 /nfs/dbraw/zinc/91/59/03/1083915903.db2.gz JDTNYCNDUMOVOP-MRXNPFEDSA-N -1 0 355.459 4.303 20 30 FIEDRM CC(C)CCSCC(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000066002762 1083944252 /nfs/dbraw/zinc/94/42/52/1083944252.db2.gz LHDTZSQRHBWNKH-UHFFFAOYSA-N -1 0 369.430 4.130 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2cccc(CSc3ccccn3)c2)cc1[O-] ZINC000187702360 1084036948 /nfs/dbraw/zinc/03/69/48/1084036948.db2.gz QTEVDCSFLQHLCJ-UHFFFAOYSA-N -1 0 361.426 4.203 20 30 FIEDRM O=C(/C=C/c1ccccc1I)c1ccc([O-])c(F)c1 ZINC000728439244 1084162385 /nfs/dbraw/zinc/16/23/85/1084162385.db2.gz ZEPPCVWHYLMYJB-FNORWQNLSA-N -1 0 368.145 4.032 20 30 FIEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1sc2cccc(F)c2c1Cl ZINC000892530505 1084433285 /nfs/dbraw/zinc/43/32/85/1084433285.db2.gz PTMMUGBZCGGGIT-SNVBAGLBSA-N -1 0 364.829 4.075 20 30 FIEDRM C[C@@](CC(=O)[O-])(C(=O)Nc1ccc(CC#N)cc1Cl)C1CCCCC1 ZINC000414083017 1084475545 /nfs/dbraw/zinc/47/55/45/1084475545.db2.gz CTGFPXSYLQFUDS-IBGZPJMESA-N -1 0 362.857 4.406 20 30 FIEDRM N#CC(=C([O-])c1cnc(CC2CC2)s1)c1nc2ccccc2n1C(F)F ZINC000892539584 1084633035 /nfs/dbraw/zinc/63/30/35/1084633035.db2.gz ZXUUNOVMEWAPKM-NSHDSACASA-N -1 0 372.400 4.330 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c(C)c1 ZINC000048476699 1085000414 /nfs/dbraw/zinc/00/04/14/1085000414.db2.gz WYPIRHJDLCQHCX-STQMWFEESA-N -1 0 363.401 4.317 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)cc1C ZINC000048474582 1085000952 /nfs/dbraw/zinc/00/09/52/1085000952.db2.gz JKRWQBUEHBQUTI-ZIAGYGMSSA-N -1 0 363.401 4.317 20 30 FIEDRM N#CC(=C([O-])c1cnc(CC2CC2)s1)c1nc(-c2ccncc2)cs1 ZINC000892608554 1085021685 /nfs/dbraw/zinc/02/16/85/1085021685.db2.gz GJORHGGDNKZQLK-ZDUSSCGKSA-N -1 0 366.471 4.104 20 30 FIEDRM Cn1cc(C#N)cc1C([O-])=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000176097546 1085070528 /nfs/dbraw/zinc/07/05/28/1085070528.db2.gz NQRGFKZEFYFGEP-AWEZNQCLSA-N -1 0 366.833 4.164 20 30 FIEDRM CCn1c2ccccc2c2cc(C=CC([O-])=C3C(=O)C=C(C)OC3=O)ccc21 ZINC000003582351 1085128227 /nfs/dbraw/zinc/12/82/27/1085128227.db2.gz LFIQHMMZPFAVTC-XBFAEUMISA-N -1 0 373.408 4.043 20 30 FIEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(-c2ccc(Cl)cc2)s1 ZINC000124730101 1085173510 /nfs/dbraw/zinc/17/35/10/1085173510.db2.gz ZSMITIHNKPCISN-AWEZNQCLSA-N -1 0 358.850 4.013 20 30 FIEDRM O=C([O-])c1cccc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2Cl)c1Cl ZINC000588559455 1085941134 /nfs/dbraw/zinc/94/11/34/1085941134.db2.gz MUDXUNLKSARKGY-DAXSKMNVSA-N -1 0 366.156 4.496 20 30 FIEDRM C[C@H](Oc1cccc(C(=O)/C=C\c2cccc(-c3cccnc3)c2)c1)C(=O)[O-] ZINC000255562159 1086022503 /nfs/dbraw/zinc/02/25/03/1086022503.db2.gz PZZVLYUDKVEKDW-SNGWPZLWSA-N -1 0 373.408 4.497 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1sc(-c2ccccc2)nc1C ZINC000125630201 1086024306 /nfs/dbraw/zinc/02/43/06/1086024306.db2.gz IELKUFWMQOVROE-MRXNPFEDSA-N -1 0 369.490 4.138 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1ccc(Br)o1 ZINC000125855434 1086541210 /nfs/dbraw/zinc/54/12/10/1086541210.db2.gz FCSFWRRZJPUNKB-LLVKDONJSA-N -1 0 371.190 4.037 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnccc2-c2ccccc2)cc1Cl ZINC000432345710 1086639400 /nfs/dbraw/zinc/63/94/00/1086639400.db2.gz IGNZQCWHNULLHG-UHFFFAOYSA-N -1 0 369.833 4.074 20 30 FIEDRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(C(F)(F)F)cc1 ZINC000077882513 1086728266 /nfs/dbraw/zinc/72/82/66/1086728266.db2.gz QFFSENCAPAETSI-LLVKDONJSA-N -1 0 357.353 4.101 20 30 FIEDRM CCCn1ncc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1C1CC1 ZINC000161900885 1086978383 /nfs/dbraw/zinc/97/83/83/1086978383.db2.gz ARWIIMGIAMXAHI-CYBMUJFWSA-N -1 0 362.355 4.074 20 30 FIEDRM Cc1ccc(-c2nc(Cn3[n-]c(C(C)(C)C)c(CCC#N)c3=O)cs2)o1 ZINC000536155829 1087018566 /nfs/dbraw/zinc/01/85/66/1087018566.db2.gz VZBQPFQMIZCTLD-UHFFFAOYSA-N -1 0 370.478 4.416 20 30 FIEDRM CC[C@H](OC(=O)c1cc(C#N)c(SC)[n-]c1=O)c1cccc(Cl)c1 ZINC001267323915 1087101830 /nfs/dbraw/zinc/10/18/30/1087101830.db2.gz LWENLOHQNDRLIZ-AWEZNQCLSA-N -1 0 362.838 4.342 20 30 FIEDRM N#CC(=C([O-])C=Cc1nc2ccccc2s1)c1cnc2ccccc2n1 ZINC000588587598 1087177682 /nfs/dbraw/zinc/17/76/82/1087177682.db2.gz JNZGDLLFPQLXRU-XPSMFNQNSA-N -1 0 356.410 4.129 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C#N)cc3)cc2C)o1 ZINC000584307965 1087257869 /nfs/dbraw/zinc/25/78/69/1087257869.db2.gz KMHMIXJFUJUSLB-UHFFFAOYSA-N -1 0 368.414 4.361 20 30 FIEDRM CC(C)(C)c1[n-]n(Cc2coc(-c3cccc(F)c3)n2)c(=O)c1CCC#N ZINC000151835401 1087272944 /nfs/dbraw/zinc/27/29/44/1087272944.db2.gz BEZLCCNPWLLJDK-UHFFFAOYSA-N -1 0 368.412 4.185 20 30 FIEDRM Cc1c2cc(F)ccc2sc1C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000065763376 1087746964 /nfs/dbraw/zinc/74/69/64/1087746964.db2.gz CYBMUZBCPPUBMT-UHFFFAOYSA-N -1 0 355.437 4.104 20 30 FIEDRM N#CC(=C([O-])c1cc(C#N)cs1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000176471495 1087974369 /nfs/dbraw/zinc/97/43/69/1087974369.db2.gz MHHQWUWKIQVBBN-AWEZNQCLSA-N -1 0 360.423 4.105 20 30 FIEDRM CCCCCc1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)n[nH]1 ZINC000659064638 1087999469 /nfs/dbraw/zinc/99/94/69/1087999469.db2.gz OSCFHLXAZXJOMO-OAHLLOKOSA-N -1 0 365.462 4.151 20 30 FIEDRM COc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c2ccccc2n1 ZINC000659114438 1088131587 /nfs/dbraw/zinc/13/15/87/1088131587.db2.gz BCODYZYGVNNGJM-CQSZACIVSA-N -1 0 351.431 4.313 20 30 FIEDRM N#CC(=C([O-])C=Cc1ccnc(Cl)c1)c1nc(-c2ccncc2)cs1 ZINC000181268704 1088291856 /nfs/dbraw/zinc/29/18/56/1088291856.db2.gz WHHVQIKWSVOGOH-YUKKFKLSSA-N -1 0 366.833 4.143 20 30 FIEDRM CCc1cncc(C([O-])=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)c1 ZINC000434626630 1088896440 /nfs/dbraw/zinc/89/64/40/1088896440.db2.gz ZSQNIXMVVAAGSU-QGZVFWFLSA-N -1 0 363.442 4.266 20 30 FIEDRM N#CCCSc1ccccc1[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000780386968 1089482421 /nfs/dbraw/zinc/48/24/21/1089482421.db2.gz JRUCNMALACEPJS-UHFFFAOYSA-N -1 0 368.430 4.431 20 30 FIEDRM CCOc1c(OC)cc(/C=C/C(=O)c2ccc([O-])c(Cl)c2)cc1OC ZINC000119271734 1089633141 /nfs/dbraw/zinc/63/31/41/1089633141.db2.gz HHQMWBRVWCGRJM-FNORWQNLSA-N -1 0 362.809 4.358 20 30 FIEDRM Cc1c(CSC(C)C)cccc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435484251 1089701098 /nfs/dbraw/zinc/70/10/98/1089701098.db2.gz VUSMUCDGBFREIX-UHFFFAOYSA-N -1 0 366.533 4.371 20 30 FIEDRM CC(=O)CCCCCCC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000122847133 1090092631 /nfs/dbraw/zinc/09/26/31/1090092631.db2.gz MPHFQFDDDCBYNC-QGZVFWFLSA-N -1 0 352.434 4.298 20 30 FIEDRM CCC(CC)CN(CCC#N)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000416152453 1090230044 /nfs/dbraw/zinc/23/00/44/1090230044.db2.gz XEXSKNWAODMYGW-UHFFFAOYSA-N -1 0 371.250 4.086 20 30 FIEDRM CC(=O)Nc1ccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cc1 ZINC000041536002 1090238601 /nfs/dbraw/zinc/23/86/01/1090238601.db2.gz KNXZORYAWISFTB-KRWDZBQOSA-N -1 0 361.426 4.259 20 30 FIEDRM COc1cc(/C=C(/CC(=O)[O-])c2nc3ccccc3s2)ccc1C#N ZINC000442313948 1092559807 /nfs/dbraw/zinc/55/98/07/1092559807.db2.gz ZMXFTCMDRSZOPG-ZSOIEALJSA-N -1 0 350.399 4.192 20 30 FIEDRM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]c1ccc(F)cc1C#N ZINC000544808577 1092677159 /nfs/dbraw/zinc/67/71/59/1092677159.db2.gz KLSXYUUOCUONJZ-UHFFFAOYSA-N -1 0 364.785 4.206 20 30 FIEDRM N#CC(=C([O-])c1ccc(OCc2ccccn2)cc1)c1nc2ccccc2o1 ZINC000442677748 1092719490 /nfs/dbraw/zinc/71/94/90/1092719490.db2.gz IHZGBQXWNHTZRY-SFHVURJKSA-N -1 0 369.380 4.292 20 30 FIEDRM C[C@@H](Sc1n[n-]c(=NCc2ccccc2)s1)c1cccc(C#N)c1 ZINC000442912094 1092849796 /nfs/dbraw/zinc/84/97/96/1092849796.db2.gz CGRQYHCKCXYGFL-CYBMUJFWSA-N -1 0 352.488 4.297 20 30 FIEDRM CCc1ccc(CN=c2[n-]nc(SCc3ccc(C#N)cc3)s2)s1 ZINC000521774786 1092910212 /nfs/dbraw/zinc/91/02/12/1092910212.db2.gz SOWJGMAKXSQYKX-UHFFFAOYSA-N -1 0 372.544 4.360 20 30 FIEDRM N#Cc1ccc(Cc2cnc(NC(=O)c3cc(Cl)ccc3[O-])s2)cc1 ZINC000436863491 1092962060 /nfs/dbraw/zinc/96/20/60/1092962060.db2.gz KPSHJYXPCAJXSX-UHFFFAOYSA-N -1 0 369.833 4.217 20 30 FIEDRM CSCc1c2ccccc2oc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000075443068 1093084484 /nfs/dbraw/zinc/08/44/84/1093084484.db2.gz DTYPLAPKOVEWGN-CQSZACIVSA-N -1 0 351.431 4.193 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)cc1Cl ZINC000512959424 1093604858 /nfs/dbraw/zinc/60/48/58/1093604858.db2.gz ZJVJCXVUNYAWKI-UHFFFAOYSA-N -1 0 364.854 4.108 20 30 FIEDRM Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)c1cc(O)cc(C#N)c1 ZINC000614365547 1093766412 /nfs/dbraw/zinc/76/64/12/1093766412.db2.gz VDQSIRLYGKNCBU-LBPRGKRZSA-N -1 0 363.442 4.187 20 30 FIEDRM N#Cc1cc(O)cc(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)c1 ZINC000614365571 1093766728 /nfs/dbraw/zinc/76/67/28/1093766728.db2.gz YTIDWHXMRWJAFH-UHFFFAOYSA-N -1 0 356.809 4.491 20 30 FIEDRM N#Cc1cc(Cl)c(-c2noc(-c3ccnc(Cl)c3[O-])n2)cc1Cl ZINC001214066136 1093922278 /nfs/dbraw/zinc/92/22/78/1093922278.db2.gz TVAVBSPUZIMZLV-UHFFFAOYSA-N -1 0 367.579 4.336 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)c(Cl)c1 ZINC000183068762 1094274264 /nfs/dbraw/zinc/27/42/64/1094274264.db2.gz NRWJUUFUZKAFTM-UHFFFAOYSA-N -1 0 374.771 4.117 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2csc(Cc3cccc(F)c3)n2)n1 ZINC000182558522 1094787504 /nfs/dbraw/zinc/78/75/04/1094787504.db2.gz DDEMHCMJDAYXMY-ZDUSSCGKSA-N -1 0 357.435 4.128 20 30 FIEDRM N#CC(=C([O-])c1cc2cc([N+](=O)[O-])ccc2s1)c1nc2ccccc2o1 ZINC000041544929 1094922081 /nfs/dbraw/zinc/92/20/81/1094922081.db2.gz RDFFJFKNZJQCDP-LBPRGKRZSA-N -1 0 363.354 4.441 20 30 FIEDRM O=C(Nc1cccc(Cl)c1[O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000329734939 1095240526 /nfs/dbraw/zinc/24/05/26/1095240526.db2.gz KPJCGOMTXPLWOL-KCXAZCMYSA-N -1 0 372.856 4.261 20 30 FIEDRM N#CC(=C([O-])c1cc2[nH]cnc2cc1F)c1nc2cc(Cl)ccc2s1 ZINC000436695795 1099229214 /nfs/dbraw/zinc/22/92/14/1099229214.db2.gz FZKHILPSJXAPRF-JTQLQIEISA-N -1 0 370.796 4.455 20 30 FIEDRM C[C@H](C#N)CN(C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])C1CC1 ZINC000436737037 1099257416 /nfs/dbraw/zinc/25/74/16/1099257416.db2.gz HRXLTAKMYPYQHB-CYBMUJFWSA-N -1 0 354.837 4.477 20 30 FIEDRM C[C@@H](C#N)CN(C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])C1CC1 ZINC000436737040 1099257440 /nfs/dbraw/zinc/25/74/40/1099257440.db2.gz HRXLTAKMYPYQHB-ZDUSSCGKSA-N -1 0 354.837 4.477 20 30 FIEDRM N#CCCSc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000533689951 1099320707 /nfs/dbraw/zinc/32/07/07/1099320707.db2.gz MWRWEQWGSFSRIB-UHFFFAOYSA-N -1 0 370.858 4.286 20 30 FIEDRM CC(C)c1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)nc1 ZINC000516942034 1099936826 /nfs/dbraw/zinc/93/68/26/1099936826.db2.gz WONKVMKGYVQTQQ-CYBMUJFWSA-N -1 0 354.360 4.440 20 30 FIEDRM CCOc1cc(/C=C/c2nc(C(=O)[O-])ccc2C#N)ccc1OCC(C)C ZINC000509696880 1100071049 /nfs/dbraw/zinc/07/10/49/1100071049.db2.gz QQVLGYOYLXQPII-VMPITWQZSA-N -1 0 366.417 4.255 20 30 FIEDRM Cc1cccc(-c2cncc(C([O-])=C(C#N)c3nc4[nH]ccc(C)c-4n3)c2)c1 ZINC000426184979 1100954290 /nfs/dbraw/zinc/95/42/90/1100954290.db2.gz WMJBEPPKXXWOQS-GOSISDBHSA-N -1 0 367.412 4.127 20 30 FIEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cccc(Oc2ccccc2)c1 ZINC000126626937 1101858682 /nfs/dbraw/zinc/85/86/82/1101858682.db2.gz LHNDOXFAMIJZKV-OAQYLSRUSA-N -1 0 370.408 4.118 20 30 FIEDRM O=C1c2ccc(Br)cc2C/C1=C/c1cc(F)c([O-])c(F)c1 ZINC000760230831 1101906628 /nfs/dbraw/zinc/90/66/28/1101906628.db2.gz XYNBBAGHHNRKBP-KMKOMSMNSA-N -1 0 351.146 4.255 20 30 FIEDRM N#CC(=C([O-])c1ccn(-c2ccccc2)n1)c1nc(-c2ccccc2)cs1 ZINC000122365128 1102567509 /nfs/dbraw/zinc/56/75/09/1102567509.db2.gz CJAYDUSIYDKYDI-KRWDZBQOSA-N -1 0 370.437 4.486 20 30 FIEDRM COc1ccc(CCCCCC(=O)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000067599870 1103003315 /nfs/dbraw/zinc/00/33/15/1103003315.db2.gz BIUMBASYQHGZQV-UHFFFAOYSA-N -1 0 367.492 4.205 20 30 FIEDRM Cc1ccc(C(=O)[O-])cc1NCc1cn(CCC#N)nc1-c1ccccc1 ZINC000551422464 1103205753 /nfs/dbraw/zinc/20/57/53/1103205753.db2.gz DNXYHXPXWSPPBK-UHFFFAOYSA-N -1 0 360.417 4.083 20 30 FIEDRM N#Cc1ccc(C(=O)N(CC2CC2)c2cccc(C(F)(F)F)c2)cc1[O-] ZINC000427504985 1103613427 /nfs/dbraw/zinc/61/34/27/1103613427.db2.gz LYOUVZWNARDSRO-UHFFFAOYSA-N -1 0 360.335 4.339 20 30 FIEDRM Cc1nc([C@@H]2CCCOC2)sc1C(=O)Nc1cccc(Cl)c1[O-] ZINC000328938697 1104595745 /nfs/dbraw/zinc/59/57/45/1104595745.db2.gz KEXKNOAGVJJBPB-SNVBAGLBSA-N -1 0 352.843 4.341 20 30 FIEDRM CC[C@@H](c1nnc(NC(=O)c2cscc2C#N)s1)c1ccccc1 ZINC000550411208 1104790949 /nfs/dbraw/zinc/79/09/49/1104790949.db2.gz DNETUTDQFHXPHG-CYBMUJFWSA-N -1 0 354.460 4.265 20 30 FIEDRM N#CC(=C([O-])c1cn2ccnc2s1)c1nc2cc(Cl)ccc2s1 ZINC000190770627 1105136864 /nfs/dbraw/zinc/13/68/64/1105136864.db2.gz FHGJZJGCKBGSJC-VIFPVBQESA-N -1 0 358.835 4.149 20 30 FIEDRM CC(C)c1ccccc1S(=O)(=O)[N-]c1cc(C#N)c2ccccc2n1 ZINC000508125470 1105334553 /nfs/dbraw/zinc/33/45/53/1105334553.db2.gz ONGQZSAXTGPKBM-UHFFFAOYSA-N -1 0 351.431 4.031 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)c(F)c1 ZINC000523529260 1108290704 /nfs/dbraw/zinc/29/07/04/1108290704.db2.gz KMCOBMKAMAVCRC-UHFFFAOYSA-N -1 0 366.417 4.089 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCCC3)cc2)c(F)c1 ZINC000523536419 1108296876 /nfs/dbraw/zinc/29/68/76/1108296876.db2.gz XWZXQZCZBGJFEL-UHFFFAOYSA-N -1 0 374.437 4.210 20 30 FIEDRM CCSc1cccnc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000453576546 1108637370 /nfs/dbraw/zinc/63/73/70/1108637370.db2.gz VRDMVCIRYYMKKY-NSHDSACASA-N -1 0 351.353 4.097 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)nn1C(C)C ZINC000453625572 1108651705 /nfs/dbraw/zinc/65/17/05/1108651705.db2.gz KNKSBCBNAMJLDL-LBPRGKRZSA-N -1 0 357.364 4.007 20 30 FIEDRM CCCOc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)c(OC)c1 ZINC000453615761 1108661878 /nfs/dbraw/zinc/66/18/78/1108661878.db2.gz GDQGGVTVHJNTCS-HNNXBMFYSA-N -1 0 350.374 4.115 20 30 FIEDRM CC(C)(C#N)c1ccc(NC(=O)c2cccc(Br)c2[O-])cc1 ZINC000524606272 1109087511 /nfs/dbraw/zinc/08/75/11/1109087511.db2.gz BFLMFABXOPULKY-UHFFFAOYSA-N -1 0 359.223 4.208 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2cc(OC(F)F)ccc2F)n1 ZINC000528965480 1110163962 /nfs/dbraw/zinc/16/39/62/1110163962.db2.gz CRQNGIMMJPPVIG-LLVKDONJSA-N -1 0 354.353 4.497 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2coc3ccc(CC)cc32)n1 ZINC000552276985 1111656159 /nfs/dbraw/zinc/65/61/59/1111656159.db2.gz NSEDFNMUIXYFQI-ZDUSSCGKSA-N -1 0 368.414 4.118 20 30 FIEDRM N#CC(=C([O-])c1cnc(Oc2ccccc2)cn1)c1nc2ccccc2s1 ZINC000553026027 1111884719 /nfs/dbraw/zinc/88/47/19/1111884719.db2.gz XVXYGZXIEBFBOI-AWEZNQCLSA-N -1 0 372.409 4.369 20 30 FIEDRM C=C(C)CN(C)C(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1[O-] ZINC000482142764 1113188816 /nfs/dbraw/zinc/18/88/16/1113188816.db2.gz PXCUCCWEHRYJJQ-UHFFFAOYSA-N -1 0 374.655 4.186 20 30 FIEDRM CC(C)Cn1ncc2cc(C(=O)[C@@H](C#N)c3nccc4ccccc43)cnc21 ZINC000483187986 1113463534 /nfs/dbraw/zinc/46/35/34/1113463534.db2.gz AKGASXTUYGRNBP-IBGZPJMESA-N -1 0 369.428 4.126 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nccc3ccccc32)cnn1-c1ccccc1F ZINC000483207098 1113465430 /nfs/dbraw/zinc/46/54/30/1113465430.db2.gz VNFNLJNXNLCCDX-KRWDZBQOSA-N -1 0 370.387 4.358 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nccc3ccccc32)cnn1-c1ccccc1 ZINC000483221291 1113467894 /nfs/dbraw/zinc/46/78/94/1113467894.db2.gz YRGJEFKKQKURLY-LJQANCHMSA-N -1 0 352.397 4.219 20 30 FIEDRM C=CCSc1ccccc1C(=O)N=c1nc(Cc2ccccc2)[n-]s1 ZINC000486203573 1113525627 /nfs/dbraw/zinc/52/56/27/1113525627.db2.gz MNGXJCIZVUBELR-UHFFFAOYSA-N -1 0 367.499 4.081 20 30 FIEDRM Cc1ccc(-c2ccc(C=Nn3c(=S)[n-]nc3C(F)(F)F)o2)cc1 ZINC000912784815 1114202984 /nfs/dbraw/zinc/20/29/84/1114202984.db2.gz BGKHJXVDCOOGHV-UHFFFAOYSA-N -1 0 352.341 4.036 20 30 FIEDRM C=CC[C@@H](C(=O)N=c1nc(-c2sccc2C)[n-]s1)c1ccccc1 ZINC000490228402 1114240544 /nfs/dbraw/zinc/24/05/44/1114240544.db2.gz BNXWBNSUDZVYFS-CQSZACIVSA-N -1 0 355.488 4.295 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3o2)cnn1-c1ccccc1C ZINC000054736053 1114386628 /nfs/dbraw/zinc/38/66/28/1114386628.db2.gz DGOBQZMQVATYQW-HNNXBMFYSA-N -1 0 356.385 4.120 20 30 FIEDRM CSc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1 ZINC000055548281 1114496363 /nfs/dbraw/zinc/49/63/63/1114496363.db2.gz FYOPVICHKZMATI-UHFFFAOYSA-N -1 0 372.393 4.100 20 30 FIEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)s1 ZINC000571818286 1114541808 /nfs/dbraw/zinc/54/18/08/1114541808.db2.gz PVUQZMZGRHVDQB-UHFFFAOYSA-N -1 0 360.382 4.002 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccnc(OC3CCC3)c2)s1 ZINC000571858263 1114545652 /nfs/dbraw/zinc/54/56/52/1114545652.db2.gz VXQXKPOPLGUSBN-AWEZNQCLSA-N -1 0 355.463 4.257 20 30 FIEDRM Cc1cnc2c(cccc2S(=O)(=O)[N-]C(=O)C[C@H](C)c2ccccc2)c1 ZINC000045099010 1114560702 /nfs/dbraw/zinc/56/07/02/1114560702.db2.gz KTZGBRWDFXOMQO-HNNXBMFYSA-N -1 0 368.458 4.382 20 30 FIEDRM Cc1cnc2c(cccc2S(=O)(=O)[N-]C(=O)CCCc2cccs2)c1 ZINC000045099233 1114560961 /nfs/dbraw/zinc/56/09/61/1114560961.db2.gz GJBGRGQKPAYADS-UHFFFAOYSA-N -1 0 374.487 4.273 20 30 FIEDRM Cc1oc(C2CC2)nc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000572024751 1114593298 /nfs/dbraw/zinc/59/32/98/1114593298.db2.gz ZPWVFGYULXMREJ-LLVKDONJSA-N -1 0 356.332 4.095 20 30 FIEDRM O=C(CCSc1ccccc1)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000058040659 1115076537 /nfs/dbraw/zinc/07/65/37/1115076537.db2.gz FGBHJYLJPSDPNS-UHFFFAOYSA-N -1 0 373.499 4.442 20 30 FIEDRM CCc1noc2ncc(C([O-])=C(C#N)c3nc4cc(F)ccc4s3)cc12 ZINC000592974127 1115272672 /nfs/dbraw/zinc/27/26/72/1115272672.db2.gz OCFDSUMCNBUKQI-GFCCVEGCSA-N -1 0 366.377 4.024 20 30 FIEDRM CC(C)(C#N)c1ccc(CN=c2[n-]nc(CCCc3ccccc3)o2)cc1 ZINC000593945685 1115354781 /nfs/dbraw/zinc/35/47/81/1115354781.db2.gz OGQGIZUKMNRLPJ-UHFFFAOYSA-N -1 0 360.461 4.080 20 30 FIEDRM O=C(CC1CCCCC1)[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000046709100 1115496325 /nfs/dbraw/zinc/49/63/25/1115496325.db2.gz YISSQTLSKUVJAJ-UHFFFAOYSA-N -1 0 360.273 4.065 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCSc2ccc(F)cc2)cc1C ZINC000046929895 1115547584 /nfs/dbraw/zinc/54/75/84/1115547584.db2.gz LVPVJFROFSCTEG-UHFFFAOYSA-N -1 0 367.467 4.270 20 30 FIEDRM O=C([O-])c1cc(C(=O)/C=C/c2cc(F)ccc2Br)cs1 ZINC000761200791 1115616928 /nfs/dbraw/zinc/61/69/28/1115616928.db2.gz QSEHGZSBLJDPNU-DAFODLJHSA-N -1 0 355.184 4.244 20 30 FIEDRM CC(C)COc1ccc(C(=O)/C=C/c2cccc(OCCC(=O)[O-])c2)cc1 ZINC000060379237 1115627284 /nfs/dbraw/zinc/62/72/84/1115627284.db2.gz GRNOEUCAWIKRBA-IZZDOVSWSA-N -1 0 368.429 4.471 20 30 FIEDRM CC(C)CCc1n[n-]c(=NC(=O)N[C@H](CCCC#N)c2ccccc2)s1 ZINC000596964890 1115632189 /nfs/dbraw/zinc/63/21/89/1115632189.db2.gz OTFUQXHYTRFIHN-MRXNPFEDSA-N -1 0 371.510 4.105 20 30 FIEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)C2(c3ccc(Cl)cc3)CC2)c1 ZINC000060497626 1115651383 /nfs/dbraw/zinc/65/13/83/1115651383.db2.gz VDLDHZKOCWYZTO-UHFFFAOYSA-N -1 0 363.866 4.334 20 30 FIEDRM C[C@H]1CCc2sc([N-]C(=O)c3ocnc3C(F)F)c(C#N)c2[C@H]1C ZINC000602344916 1115698066 /nfs/dbraw/zinc/69/80/66/1115698066.db2.gz XJODDDFHHXGHFG-YUMQZZPRSA-N -1 0 351.378 4.483 20 30 FIEDRM COc1ccc(C2(C(=O)[N-]S(=O)(=O)c3ccccc3C)CCCC2)cc1 ZINC000060765322 1115702411 /nfs/dbraw/zinc/70/24/11/1115702411.db2.gz GKNCLTJLDGVVKA-UHFFFAOYSA-N -1 0 373.474 4.161 20 30 FIEDRM CC(C)c1nc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cs1 ZINC000171146235 1115843348 /nfs/dbraw/zinc/84/33/48/1115843348.db2.gz SXQPPVVXEYYKIU-JTQLQIEISA-N -1 0 365.817 4.020 20 30 FIEDRM Cc1nc(CC(C)C)sc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1 ZINC000605362815 1115891146 /nfs/dbraw/zinc/89/11/46/1115891146.db2.gz VNWNGQAZJVCOAK-CYBMUJFWSA-N -1 0 352.463 4.325 20 30 FIEDRM COCc1c2ccccc2oc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1 ZINC000605363031 1115891438 /nfs/dbraw/zinc/89/14/38/1115891438.db2.gz DQHDFQPCSZJGHV-AWEZNQCLSA-N -1 0 359.385 4.254 20 30 FIEDRM Cc1ccc(C)c(OCCCCC(=O)[N-]S(=O)(=O)c2ccccc2)c1 ZINC000063233981 1116027310 /nfs/dbraw/zinc/02/73/10/1116027310.db2.gz UTAHEAFUDXSGLG-UHFFFAOYSA-N -1 0 361.463 4.198 20 30 FIEDRM Cc1cc(COc2ccc(-c3nc4cc(C#N)ccc4[nH]3)cc2)oc1C(=O)[O-] ZINC000534639739 1116219477 /nfs/dbraw/zinc/21/94/77/1116219477.db2.gz LSIRWKDVGCHFCL-UHFFFAOYSA-N -1 0 373.368 4.280 20 30 FIEDRM CC[C@@H](C)Oc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)ccn1 ZINC000539645196 1116357158 /nfs/dbraw/zinc/35/71/58/1116357158.db2.gz KQHCBFGERYUTOO-TZMCWYRMSA-N -1 0 351.431 4.359 20 30 FIEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C\c1ccc(Br)cc1Cl ZINC000463042898 1117944644 /nfs/dbraw/zinc/94/46/44/1117944644.db2.gz IFWHZFAAINLOOD-DJWKRKHSSA-N -1 0 363.598 4.238 20 30 FIEDRM Cc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)c(OCc2ccccc2)c1 ZINC000443330958 1118019876 /nfs/dbraw/zinc/01/98/76/1118019876.db2.gz UVLDTQXNFZGBKS-UHFFFAOYSA-N -1 0 358.397 4.404 20 30 FIEDRM Cc1cccc(Oc2ncccc2NC(=O)c2ccc(C#N)c([O-])c2)c1C ZINC000443346385 1118107326 /nfs/dbraw/zinc/10/73/26/1118107326.db2.gz VFHPYYCCNCUWCO-UHFFFAOYSA-N -1 0 359.385 4.320 20 30 FIEDRM CCC(=O)c1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000541200008 1118420433 /nfs/dbraw/zinc/42/04/33/1118420433.db2.gz TVFAKXPLNWUJBS-MRXNPFEDSA-N -1 0 361.426 4.288 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cnn1CCC(C)C ZINC000464466889 1118572339 /nfs/dbraw/zinc/57/23/39/1118572339.db2.gz MAKCHXRGZUTWNW-CQSZACIVSA-N -1 0 364.371 4.142 20 30 FIEDRM C=CCn1c(=O)c2ccc(C(=O)NCC(C)(C)CC(C)C)cc2[n-]c1=S ZINC000176353592 1118928794 /nfs/dbraw/zinc/92/87/94/1118928794.db2.gz XTQNHNDCZLERBV-UHFFFAOYSA-N -1 0 373.522 4.047 20 30 FIEDRM C[C@@H](C#N)Oc1ccc(/C=C/c2nc3ccc(C(=O)[O-])cc3s2)cc1 ZINC000761487054 1119253076 /nfs/dbraw/zinc/25/30/76/1119253076.db2.gz SMWIZAFPEZEBCB-KFRNIWOLSA-N -1 0 350.399 4.456 20 30 FIEDRM Cc1nc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)s1 ZINC000178731616 1119404983 /nfs/dbraw/zinc/40/49/83/1119404983.db2.gz IVORPUNAWHCNLR-CQSZACIVSA-N -1 0 364.455 4.245 20 30 FIEDRM CCCCn1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c(C)n1 ZINC000187492862 1119785967 /nfs/dbraw/zinc/78/59/67/1119785967.db2.gz SBJRCFZFSPWTEC-OAHLLOKOSA-N -1 0 365.462 4.000 20 30 FIEDRM CCc1nc(-c2ccc(C([O-])=C(C#N)c3nc(C(C)C)cs3)cc2)n[nH]1 ZINC000153019177 1119833193 /nfs/dbraw/zinc/83/31/93/1119833193.db2.gz MHCSHHYZAGVWCS-AWEZNQCLSA-N -1 0 365.462 4.104 20 30 FIEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000494421064 1119862027 /nfs/dbraw/zinc/86/20/27/1119862027.db2.gz IBTBVQLTKBJZSF-UHFFFAOYSA-N -1 0 374.771 4.172 20 30 FIEDRM COc1cc(Br)ccc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000194583374 1120284222 /nfs/dbraw/zinc/28/42/22/1120284222.db2.gz YNUUFRUYMIWNFZ-GFCCVEGCSA-N -1 0 371.190 4.089 20 30 FIEDRM N#CC(=C([O-])c1coc(C2CC2)n1)c1nc(-c2c(F)cccc2F)cs1 ZINC000670116785 1120350726 /nfs/dbraw/zinc/35/07/26/1120350726.db2.gz CUBKXAAUHNSZQY-JTQLQIEISA-N -1 0 371.368 4.444 20 30 FIEDRM CCn1ncc(C([O-])=C(C#N)c2nc3ccccc3o2)c1-c1ccccc1 ZINC000495212868 1120543335 /nfs/dbraw/zinc/54/33/35/1120543335.db2.gz OPPXTDFJRIMQFF-OAHLLOKOSA-N -1 0 356.385 4.201 20 30 FIEDRM COc1cc([C@H](C)/N=C\c2cc([N+](=O)[O-])ccc2[O-])ccc1OC(C)C ZINC000915113562 1120820687 /nfs/dbraw/zinc/82/06/87/1120820687.db2.gz YWAHWRBUMUPHND-GHOUAXAESA-N -1 0 358.394 4.276 20 30 FIEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000238143390 1120989572 /nfs/dbraw/zinc/98/95/72/1120989572.db2.gz DVVYXNOKUCQJIJ-UHFFFAOYSA-N -1 0 365.307 4.221 20 30 FIEDRM O=C([O-])c1cc(C(=O)/C=C/c2ccc(Br)c(F)c2)cs1 ZINC000763112835 1121121393 /nfs/dbraw/zinc/12/13/93/1121121393.db2.gz CXBXLRDJHCHGFD-DUXPYHPUSA-N -1 0 355.184 4.244 20 30 FIEDRM Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000326359018 1121305682 /nfs/dbraw/zinc/30/56/82/1121305682.db2.gz GLEHCECXSUUWCX-UHFFFAOYSA-N -1 0 374.771 4.340 20 30 FIEDRM COc1ccc2oc(/C=C3/CCc4oc(C(=O)[O-])c(C)c4C3=O)cc2c1 ZINC000763289243 1121319484 /nfs/dbraw/zinc/31/94/84/1121319484.db2.gz HOSLXPJLGQMEBS-XFFZJAGNSA-N -1 0 352.342 4.254 20 30 FIEDRM Cc1c(C(=O)[O-])oc2c1C(N=Nc1ncc(Cl)cc1Cl)CCC2 ZINC000915947327 1121352377 /nfs/dbraw/zinc/35/23/77/1121352377.db2.gz PQEGEKSDZVKNGI-UHFFFAOYSA-N -1 0 354.193 4.141 20 30 FIEDRM C[C@@H](Cc1ccc(Br)cc1)/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000915978987 1121360845 /nfs/dbraw/zinc/36/08/45/1121360845.db2.gz LGJZOUMIVYPOIR-HPAYWCODSA-N -1 0 363.211 4.113 20 30 FIEDRM Cc1cc(C)c(/C=C/C(=O)c2ccc([O-])c(CN3CCOCC3)c2)cc1C ZINC000916130094 1121418908 /nfs/dbraw/zinc/41/89/08/1121418908.db2.gz HVKDJEGKMNAZPQ-GQCTYLIASA-N -1 0 365.473 4.046 20 30 FIEDRM COc1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)ccc1OC(F)F ZINC000916260384 1121454887 /nfs/dbraw/zinc/45/48/87/1121454887.db2.gz YLRVYQRVHXWUPS-UHFFFAOYSA-N -1 0 370.739 4.094 20 30 FIEDRM COc1cc(C=NNc2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c1[O-] ZINC000916249833 1121457487 /nfs/dbraw/zinc/45/74/87/1121457487.db2.gz NLGHNNHWPQAQRD-UHFFFAOYSA-N -1 0 356.165 4.062 20 30 FIEDRM O=C([O-])c1ccc(N=NCc2ccc(-c3nc4ccccc4s3)o2)nc1 ZINC000763370402 1121492524 /nfs/dbraw/zinc/49/25/24/1121492524.db2.gz PHPUUXSODWHIRX-UHFFFAOYSA-N -1 0 364.386 4.096 20 30 FIEDRM COc1cc(/C=C\C(=O)c2cc(C)c(F)c(C)c2)ccc1OCCC(=O)[O-] ZINC000763373094 1121503496 /nfs/dbraw/zinc/50/34/96/1121503496.db2.gz IHSLOBZELPRYTF-XQRVVYSFSA-N -1 0 372.392 4.201 20 30 FIEDRM N#CC(=C([O-])c1csc(-c2ccccc2F)n1)c1nc2ccccc2[nH]1 ZINC000064667071 1121789890 /nfs/dbraw/zinc/78/98/90/1121789890.db2.gz BNLICBSSAPJMLD-LBPRGKRZSA-N -1 0 362.389 4.316 20 30 FIEDRM CCCCc1oc2ccccc2c1C=CC([O-])=C1C(=O)C=C(C)OC1=O ZINC000917209865 1122224041 /nfs/dbraw/zinc/22/40/41/1122224041.db2.gz BIBNCWMNPBVLEZ-CFGKVWFZSA-N -1 0 352.386 4.004 20 30 FIEDRM COCCOc1ccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c(C)c1 ZINC000917559610 1122352907 /nfs/dbraw/zinc/35/29/07/1122352907.db2.gz RGNGJKBGGSQREE-UHFFFAOYSA-N -1 0 364.785 4.038 20 30 FIEDRM CCCc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000917726962 1122419139 /nfs/dbraw/zinc/41/91/39/1122419139.db2.gz RWCRONSEMWMMDR-UHFFFAOYSA-N -1 0 368.380 4.330 20 30 FIEDRM Cc1nc(-c2ccccc2)oc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1 ZINC000498027029 1122525117 /nfs/dbraw/zinc/52/51/17/1122525117.db2.gz OHNZMKMFENNZPL-OAHLLOKOSA-N -1 0 356.385 4.325 20 30 FIEDRM CCc1nc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)o1 ZINC000556886049 1123163950 /nfs/dbraw/zinc/16/39/50/1123163950.db2.gz JOLLCRWRBQEOSY-AWEZNQCLSA-N -1 0 362.414 4.031 20 30 FIEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1ccc(Br)s1)CC2 ZINC000920067841 1123321468 /nfs/dbraw/zinc/32/14/68/1123321468.db2.gz DSUBVESJFZWZOD-SOFGYWHQSA-N -1 0 367.220 4.323 20 30 FIEDRM CCCOc1ccc(/C=C2/CCc3oc(C(=O)[O-])c(C)c3C2=O)cc1OC ZINC000920065923 1123326431 /nfs/dbraw/zinc/32/64/31/1123326431.db2.gz NDRWDKCFMSKZJJ-UVTDQMKNSA-N -1 0 370.401 4.296 20 30 FIEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1ccc(OC(C)C)cc1 ZINC000920102106 1123350132 /nfs/dbraw/zinc/35/01/32/1123350132.db2.gz PDXKXWNEHMEDRN-GOSISDBHSA-N -1 0 360.413 4.469 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H](C)Oc1cccc(C)c1 ZINC000920102750 1123350753 /nfs/dbraw/zinc/35/07/53/1123350753.db2.gz YASGKGQKTMNXHU-YJBOKZPZSA-N -1 0 360.413 4.144 20 30 FIEDRM CCc1cccc(OCC(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)c1 ZINC000920102611 1123350936 /nfs/dbraw/zinc/35/09/36/1123350936.db2.gz XKRFJEQDOXCTGG-SFHVURJKSA-N -1 0 360.413 4.009 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1ccc(C(F)(F)F)cn1 ZINC000920106659 1123352551 /nfs/dbraw/zinc/35/25/51/1123352551.db2.gz VUVPRMASIWREIV-ZDUSSCGKSA-N -1 0 371.318 4.096 20 30 FIEDRM Cc1nc(C([O-])=C(C#N)c2nc3ccccc3n2C)c(-c2ccccc2)s1 ZINC000499286805 1123409355 /nfs/dbraw/zinc/40/93/55/1123409355.db2.gz INAJJMMJJQTFSQ-HNNXBMFYSA-N -1 0 372.453 4.495 20 30 FIEDRM Cc1nc(C([O-])=C(C#N)c2nc3ccccc3n2C)c(-c2ccccc2)s1 ZINC000499286806 1123409414 /nfs/dbraw/zinc/40/94/14/1123409414.db2.gz INAJJMMJJQTFSQ-OAHLLOKOSA-N -1 0 372.453 4.495 20 30 FIEDRM C[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccc(OCC(F)(F)F)cc1 ZINC000920387195 1123450793 /nfs/dbraw/zinc/45/07/93/1123450793.db2.gz MNVCHAACOKPPOB-OYNCOLRUSA-N -1 0 368.311 4.422 20 30 FIEDRM N#Cc1ccc(Cc2cnc(NC(=O)c3c([O-])cccc3Cl)s2)cc1 ZINC000920439577 1123461972 /nfs/dbraw/zinc/46/19/72/1123461972.db2.gz AYTGYKABRYHQPM-UHFFFAOYSA-N -1 0 369.833 4.217 20 30 FIEDRM C[C@H](Cc1cccc(Br)c1)/N=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000920479520 1123466612 /nfs/dbraw/zinc/46/66/12/1123466612.db2.gz PILXZUWJLNUPRS-IPHDDYSGSA-N -1 0 363.211 4.113 20 30 FIEDRM O=C([O-])c1ccc(/C=C\C(=O)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000920481274 1123467316 /nfs/dbraw/zinc/46/73/16/1123467316.db2.gz YTFLXGAGNLWUCV-KMKOMSMNSA-N -1 0 350.292 4.222 20 30 FIEDRM CCOc1ccc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)cc1OCC ZINC000920991993 1123544482 /nfs/dbraw/zinc/54/44/82/1123544482.db2.gz WWMVVJGOZSLUST-YRNVUSSQSA-N -1 0 354.402 4.007 20 30 FIEDRM N#C[C@H](Sc1n[n-]c(=NCCc2ccccc2)s1)C1CCCCC1 ZINC000609648985 1123781758 /nfs/dbraw/zinc/78/17/58/1123781758.db2.gz QERYRCKADPJUGH-INIZCTEOSA-N -1 0 358.536 4.179 20 30 FIEDRM Cc1cccc(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)c1C#N ZINC000137486938 1123973348 /nfs/dbraw/zinc/97/33/48/1123973348.db2.gz TVLWCHJOUWMECU-CQSZACIVSA-N -1 0 371.487 4.062 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2ccc(C(F)(F)C(F)(F)F)cc2)cc1[O-] ZINC000615504277 1124021696 /nfs/dbraw/zinc/02/16/96/1124021696.db2.gz YBVDPTVVTQFMCU-UHFFFAOYSA-N -1 0 356.250 4.170 20 30 FIEDRM C=CCN(Cc1ccc(OC)cc1)C(=O)N=c1[n-]nc(C(CC)CC)s1 ZINC000615487529 1124022684 /nfs/dbraw/zinc/02/26/84/1124022684.db2.gz AIBBICOVTWCTIP-UHFFFAOYSA-N -1 0 374.510 4.092 20 30 FIEDRM Cc1ncc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C)n1 ZINC000179884819 1124133108 /nfs/dbraw/zinc/13/31/08/1124133108.db2.gz HOMGWLHBQYBUNG-AWEZNQCLSA-N -1 0 368.849 4.360 20 30 FIEDRM Cc1cccc(S(=O)(=O)[N-]c2ccccc2SCCC#N)c1Cl ZINC000179994944 1124185367 /nfs/dbraw/zinc/18/53/67/1124185367.db2.gz CJHNKHYTZWVNOL-UHFFFAOYSA-N -1 0 366.895 4.455 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)c(Cl)c1 ZINC000499501804 1124933321 /nfs/dbraw/zinc/93/33/21/1124933321.db2.gz BADIJFNQQNZEMT-UHFFFAOYSA-N -1 0 350.802 4.029 20 30 FIEDRM Cc1nn(C(C)(C)C)cc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000181499481 1124976454 /nfs/dbraw/zinc/97/64/54/1124976454.db2.gz XTAUKCWVWRNEEP-GFCCVEGCSA-N -1 0 371.391 4.181 20 30 FIEDRM Cc1ccc(CCC(=O)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000069604743 1125018375 /nfs/dbraw/zinc/01/83/75/1125018375.db2.gz YYIKWQLZBQDTLS-UHFFFAOYSA-N -1 0 371.380 4.292 20 30 FIEDRM O=C(Cc1cccc(Cl)c1)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000070028946 1125243978 /nfs/dbraw/zinc/24/39/78/1125243978.db2.gz DCJHPBAODSHVKV-UHFFFAOYSA-N -1 0 359.834 4.381 20 30 FIEDRM CC(C)CS(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000070036227 1125245971 /nfs/dbraw/zinc/24/59/71/1125245971.db2.gz DLUAMUADYNIEJP-QWRGUYRKSA-N -1 0 350.267 4.039 20 30 FIEDRM CC(C)Oc1ccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cn1 ZINC000051534907 568066320 /nfs/dbraw/zinc/06/63/20/568066320.db2.gz MYUYGXXMAMWESI-MRXNPFEDSA-N -1 0 363.442 4.482 20 30 FIEDRM C=C(C)COc1cccc(NC(=O)N[C@H](C(=O)[O-])c2ccc(F)c(C)c2)c1 ZINC000568585965 939368606 /nfs/dbraw/zinc/36/86/06/939368606.db2.gz BFTYNYTWCLIMCS-SFHVURJKSA-N -1 0 372.396 4.036 20 30 FIEDRM CCC(CC)[C@@H](c1ccc(Cl)cc1)N(C)C(=O)N=c1[n-]n(C)cc1C#N ZINC000619320098 1125561592 /nfs/dbraw/zinc/56/15/92/1125561592.db2.gz KCENLTTVELMZJW-KRWDZBQOSA-N -1 0 373.888 4.008 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc(OCC(F)(F)F)o2)n1 ZINC000654982286 1079800738 /nfs/dbraw/zinc/80/07/38/1079800738.db2.gz CGSBHNOCWSFGNZ-SECBINFHSA-N -1 0 358.341 4.291 20 30 FIEDRM N#Cc1c(F)c(F)cc(Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)c1F ZINC001211492376 1079807256 /nfs/dbraw/zinc/80/72/56/1079807256.db2.gz UJZKZYOCJAAXHF-UHFFFAOYSA-N -1 0 360.213 4.436 20 30 FIEDRM CCn1c2cc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)ccc2[nH]c1=O ZINC000654991934 1079821817 /nfs/dbraw/zinc/82/18/17/1079821817.db2.gz QJEHCHGEGSEMPT-GFCCVEGCSA-N -1 0 368.462 4.006 20 30 FIEDRM COc1cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)ccc1OCC(=O)[O-] ZINC000007747470 1079956220 /nfs/dbraw/zinc/95/62/20/1079956220.db2.gz JFMDYRWVFSMNJG-VZUCSPMQSA-N -1 0 368.429 4.352 20 30 FIEDRM O=C(/C=C\c1cc(F)c([O-])c(F)c1)c1ccc(Br)cc1F ZINC000254943946 1080074092 /nfs/dbraw/zinc/07/40/92/1080074092.db2.gz FEFARNBEDGUGFG-RJRFIUFISA-N -1 0 357.125 4.468 20 30 FIEDRM CCc1nc(C)c(C(=O)[C@@H](C#N)C(=O)Nc2ccc([C@@H](C)CC)cc2)s1 ZINC000140384391 1080807316 /nfs/dbraw/zinc/80/73/16/1080807316.db2.gz DHQSUEQRFAPPEF-BLLLJJGKSA-N -1 0 369.490 4.489 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)Cn1ccc2ccccc21 ZINC000120977334 1081128419 /nfs/dbraw/zinc/12/84/19/1081128419.db2.gz PMQQOKHZPWEUPI-KRWDZBQOSA-N -1 0 355.397 4.023 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)COc1ccc(C)cc1C ZINC000121025809 1081214618 /nfs/dbraw/zinc/21/46/18/1081214618.db2.gz NEXGKPLFEHCBBE-QGZVFWFLSA-N -1 0 360.413 4.064 20 30 FIEDRM Cn1ncc(C([O-])=C(C#N)c2nc3ccccc3s2)c1Cc1ccccc1 ZINC000683688578 1081382387 /nfs/dbraw/zinc/38/23/87/1081382387.db2.gz BIVXCFRYJPYBPA-OAHLLOKOSA-N -1 0 372.453 4.111 20 30 FIEDRM Cc1nc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)sc1C ZINC000683689649 1081386833 /nfs/dbraw/zinc/38/68/33/1081386833.db2.gz GPEQYFNNHGOHLI-CQSZACIVSA-N -1 0 364.455 4.245 20 30 FIEDRM CC[C@@H](C)c1ccccc1OCC(=O)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000048454226 1081822511 /nfs/dbraw/zinc/82/25/11/1081822511.db2.gz XYTSKBVOKXSWMB-CYBMUJFWSA-N -1 0 365.426 4.063 20 30 FIEDRM N#CC(=C([O-])c1cnn(-c2ccccc2Cl)c1)c1nc2ccccc2o1 ZINC000050206463 1081926057 /nfs/dbraw/zinc/92/60/57/1081926057.db2.gz CEUSBJYURISYFZ-CYBMUJFWSA-N -1 0 362.776 4.157 20 30 FIEDRM CCc1occc1C([O-])=C(C#N)c1nc(-c2ccc(OC)cc2)cs1 ZINC000430514959 1082139384 /nfs/dbraw/zinc/13/93/84/1082139384.db2.gz MGIUNZGITTYRFG-OAHLLOKOSA-N -1 0 352.415 4.464 20 30 FIEDRM Cc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430589330 1082534140 /nfs/dbraw/zinc/53/41/40/1082534140.db2.gz HULUSTVFLOIQTO-OAHLLOKOSA-N -1 0 364.474 4.425 20 30 FIEDRM CCOc1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cc1[N+](=O)[O-] ZINC000430590573 1082535756 /nfs/dbraw/zinc/53/57/56/1082535756.db2.gz LCWOYPPNNZKFPG-GFCCVEGCSA-N -1 0 373.434 4.238 20 30 FIEDRM Cc1ccccc1-n1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cn1 ZINC000430600625 1082566485 /nfs/dbraw/zinc/56/64/85/1082566485.db2.gz BMZRBJDLBHTXCC-HNNXBMFYSA-N -1 0 364.474 4.425 20 30 FIEDRM CCC(=O)Nc1cccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430602997 1082573539 /nfs/dbraw/zinc/57/35/39/1082573539.db2.gz XJQBORPATGRYKI-CQSZACIVSA-N -1 0 355.463 4.279 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cc(Cl)cc([N+](=O)[O-])c2)s1 ZINC000430626895 1082748652 /nfs/dbraw/zinc/74/86/52/1082748652.db2.gz MOXZJKUPEBYPGW-LBPRGKRZSA-N -1 0 363.826 4.492 20 30 FIEDRM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccc(C(C)(C)C#N)cc1 ZINC000548282868 1082958054 /nfs/dbraw/zinc/95/80/54/1082958054.db2.gz MSOFGOOCVMHIHB-UHFFFAOYSA-N -1 0 365.458 4.145 20 30 FIEDRM Cc1oc(-c2ccccc2F)nc1C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000121527994 1083006006 /nfs/dbraw/zinc/00/60/06/1083006006.db2.gz AQCBRZZDXNBXHV-CYBMUJFWSA-N -1 0 360.348 4.156 20 30 FIEDRM CC(C)c1ccc(-n2cc([O-])c(C(=O)Nc3ccccc3CC#N)n2)cc1 ZINC000581957063 1083099227 /nfs/dbraw/zinc/09/92/27/1083099227.db2.gz RMCJJIKNJBVWNI-UHFFFAOYSA-N -1 0 360.417 4.020 20 30 FIEDRM COCc1nc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cs1 ZINC000065046815 1083261800 /nfs/dbraw/zinc/26/18/00/1083261800.db2.gz CAVMXKSACMXXMJ-VIFPVBQESA-N -1 0 363.851 4.043 20 30 FIEDRM N#CC(=C([O-])c1cc(F)cc(Br)c1)c1nc(C2CC2)cs1 ZINC000647375810 1083366181 /nfs/dbraw/zinc/36/61/81/1083366181.db2.gz GCARVXWSGBEQNH-GFCCVEGCSA-N -1 0 365.227 4.412 20 30 FIEDRM Cc1nc([C@H]2CCCOC2)sc1C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000647379824 1083376903 /nfs/dbraw/zinc/37/69/03/1083376903.db2.gz PLCNXMYNIKCJOW-QWHCGFSZSA-N -1 0 373.503 4.170 20 30 FIEDRM CON=Cc1ccc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cc1 ZINC000255731801 1083455143 /nfs/dbraw/zinc/45/51/43/1083455143.db2.gz CZKRIPHOKMTFLR-AWEZNQCLSA-N -1 0 369.833 4.420 20 30 FIEDRM O=C(/C=C\c1cc(Br)c([O-])c(Br)c1)c1ccco1 ZINC000255772463 1083514687 /nfs/dbraw/zinc/51/46/87/1083514687.db2.gz MKZNJENFMCHLAW-ARJAWSKDSA-N -1 0 372.012 4.406 20 30 FIEDRM COC(C)(C)c1nc(C)c(C([O-])=C(C#N)c2ccc3ccccc3n2)s1 ZINC000685783300 1083903831 /nfs/dbraw/zinc/90/38/31/1083903831.db2.gz JGJCCNLHJCIRRY-CQSZACIVSA-N -1 0 365.458 4.371 20 30 FIEDRM O=C([O-])COc1cccc(C(=O)/C=C/c2csc(-c3cccs3)n2)c1 ZINC000728439381 1084180026 /nfs/dbraw/zinc/18/00/26/1084180026.db2.gz JBARUBNUMZVLCN-VOTSOKGWSA-N -1 0 371.439 4.231 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccn(-c3cccc(F)c3)n2)s1 ZINC000684674965 1084186339 /nfs/dbraw/zinc/18/63/39/1084186339.db2.gz IFWAWCRYRJRCCG-CQSZACIVSA-N -1 0 368.437 4.255 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccn(-c3cccc(F)c3)n2)s1 ZINC000684674964 1084187200 /nfs/dbraw/zinc/18/72/00/1084187200.db2.gz IFWAWCRYRJRCCG-AWEZNQCLSA-N -1 0 368.437 4.255 20 30 FIEDRM CC(C)(CCC(=O)[O-])NC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000263509633 1084588681 /nfs/dbraw/zinc/58/86/81/1084588681.db2.gz XCCQIBLPMIDEKQ-UHFFFAOYSA-N -1 0 367.405 4.115 20 30 FIEDRM N#CC(=C([O-])c1cnc(CC2CC2)s1)c1nc2ccccc2n1C(F)F ZINC000892539581 1084633312 /nfs/dbraw/zinc/63/33/12/1084633312.db2.gz ZXUUNOVMEWAPKM-LLVKDONJSA-N -1 0 372.400 4.330 20 30 FIEDRM Cc1cc(C#N)cc(Cl)c1Nc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC001213187411 1084854496 /nfs/dbraw/zinc/85/44/96/1084854496.db2.gz OKQDSYSPOUGGPA-UHFFFAOYSA-N -1 0 357.797 4.067 20 30 FIEDRM N#Cc1ccc(CSc2n[n-]c(=Nc3cccc(F)c3)s2)cc1F ZINC000478551179 1084965103 /nfs/dbraw/zinc/96/51/03/1084965103.db2.gz GYSAUFGIOKFUHC-UHFFFAOYSA-N -1 0 360.414 4.146 20 30 FIEDRM CC(C)n1cc(C#N)c(=NC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)[n-]1 ZINC000468838779 1085128089 /nfs/dbraw/zinc/12/80/89/1085128089.db2.gz FHQIMXIZWYROOH-HNNXBMFYSA-N -1 0 370.522 4.222 20 30 FIEDRM COc1ccc2nc(C(=O)[C@H](C#N)c3ccc4ccccc4n3)ccc2c1 ZINC000093243611 1085496265 /nfs/dbraw/zinc/49/62/65/1085496265.db2.gz QOUABSOIGJKESL-QGZVFWFLSA-N -1 0 353.381 4.282 20 30 FIEDRM CC(C)COc1ncccc1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000093243455 1085496439 /nfs/dbraw/zinc/49/64/39/1085496439.db2.gz YRPWBVLDURMEMT-CQSZACIVSA-N -1 0 351.431 4.216 20 30 FIEDRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000066903838 1085796087 /nfs/dbraw/zinc/79/60/87/1085796087.db2.gz QZRHCMISPPXMDQ-UHFFFAOYSA-N -1 0 352.390 4.180 20 30 FIEDRM O=C([O-])C(=O)/C(=C\c1ccc(OCC2CC2)cc1)c1ccc2ccccc2n1 ZINC000588579360 1086803717 /nfs/dbraw/zinc/80/37/17/1086803717.db2.gz MOSCZRUPSMTWKU-UYRXBGFRSA-N -1 0 373.408 4.218 20 30 FIEDRM Cc1ccc(Nc2c(C#N)cnn2-c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC001211597247 1086955925 /nfs/dbraw/zinc/95/59/25/1086955925.db2.gz UXMBQQZOJUILKO-UHFFFAOYSA-N -1 0 352.781 4.148 20 30 FIEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000511278750 1087546941 /nfs/dbraw/zinc/54/69/41/1087546941.db2.gz ZJDFWDSRPLFWPG-UHFFFAOYSA-N -1 0 370.474 4.025 20 30 FIEDRM N#CC(=C([O-])C=Cc1ccnc(Cl)c1)c1nc(-c2ccncc2)cs1 ZINC000181268727 1088293091 /nfs/dbraw/zinc/29/30/91/1088293091.db2.gz WHHVQIKWSVOGOH-VSZDKKFSSA-N -1 0 366.833 4.143 20 30 FIEDRM C[C@@H](Oc1cccc(C(=O)/C=C/c2cc(Cl)cc3c2OCC3)c1)C(=O)[O-] ZINC000782890431 1088505442 /nfs/dbraw/zinc/50/54/42/1088505442.db2.gz YXBYWQUFTUPWMW-BTDICHCPSA-N -1 0 372.804 4.023 20 30 FIEDRM CCc1cncc(C([O-])=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)c1 ZINC000434626629 1088896568 /nfs/dbraw/zinc/89/65/68/1088896568.db2.gz ZSQNIXMVVAAGSU-KRWDZBQOSA-N -1 0 363.442 4.266 20 30 FIEDRM C[C@H]1CCc2onc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)c2C1 ZINC000514651772 1089310278 /nfs/dbraw/zinc/31/02/78/1089310278.db2.gz GETODMREKPZMKH-JQWIXIFHSA-N -1 0 370.359 4.034 20 30 FIEDRM Cc1nc2c(cnn2C(C)C)cc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000182147203 1090056153 /nfs/dbraw/zinc/05/61/53/1090056153.db2.gz UNKOKEONYKTQFD-OAHLLOKOSA-N -1 0 367.478 4.391 20 30 FIEDRM C=CCOc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000511737510 1091578950 /nfs/dbraw/zinc/57/89/50/1091578950.db2.gz LOOFLQJBUMXJQW-UHFFFAOYSA-N -1 0 358.246 4.359 20 30 FIEDRM N#Cc1ccccc1-c1ccc(CNCc2c(F)ccc(O)c2F)cc1 ZINC000512196161 1091890069 /nfs/dbraw/zinc/89/00/69/1091890069.db2.gz NBRIFDBVJPVUSQ-UHFFFAOYSA-N -1 0 350.368 4.499 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)cc1[O-] ZINC000442965325 1092893025 /nfs/dbraw/zinc/89/30/25/1092893025.db2.gz IKXPVFNERCLPGS-UHFFFAOYSA-N -1 0 373.343 4.463 20 30 FIEDRM C=C[C@H](CC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000191101281 1093004607 /nfs/dbraw/zinc/00/46/07/1093004607.db2.gz VQSKVXZAJXPYDJ-CYBMUJFWSA-N -1 0 359.809 4.102 20 30 FIEDRM N#CC(=C([O-])c1ccc(C#N)o1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000429678709 1093207437 /nfs/dbraw/zinc/20/74/37/1093207437.db2.gz CIJKIAPTSCGAKJ-ZDUSSCGKSA-N -1 0 353.790 4.418 20 30 FIEDRM CC(C)(C)n1cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cn1 ZINC000051534810 1093388804 /nfs/dbraw/zinc/38/88/04/1093388804.db2.gz STCZZVJTPYVZEX-HNNXBMFYSA-N -1 0 350.447 4.252 20 30 FIEDRM Cc1oc(-c2ccccc2)nc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000513676198 1094269026 /nfs/dbraw/zinc/26/90/26/1094269026.db2.gz ARCANSQUQZTAHP-HNNXBMFYSA-N -1 0 356.385 4.027 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cnn(-c3ccc(F)cc3)c2C(C)C)n1 ZINC000041515832 1094638600 /nfs/dbraw/zinc/63/86/00/1094638600.db2.gz FZDQUDGJDQKREK-HNNXBMFYSA-N -1 0 368.437 4.390 20 30 FIEDRM COc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)ccc1OC(C)C ZINC000041546060 1094649685 /nfs/dbraw/zinc/64/96/85/1094649685.db2.gz KYPUUJMCSOIXDF-AWEZNQCLSA-N -1 0 350.374 4.114 20 30 FIEDRM COc1cc(C([O-])=C(C#N)c2nc(-c3ccc(C)cc3)cs2)cc(C)n1 ZINC000501379106 1094671146 /nfs/dbraw/zinc/67/11/46/1094671146.db2.gz ZVZSIIBVKFSSBX-MRXNPFEDSA-N -1 0 363.442 4.321 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cccc1[N+](=O)[O-] ZINC000041558593 1094991742 /nfs/dbraw/zinc/99/17/42/1094991742.db2.gz DIGCHRNOBDRVCL-GFCCVEGCSA-N -1 0 370.315 4.138 20 30 FIEDRM Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cc1[N+](=O)[O-] ZINC000041559505 1094991976 /nfs/dbraw/zinc/99/19/76/1094991976.db2.gz ZTRXHFJALMDNTC-LBPRGKRZSA-N -1 0 370.315 4.138 20 30 FIEDRM O=C(Nc1cccc(Cl)c1[O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC000329734944 1095240542 /nfs/dbraw/zinc/24/05/42/1095240542.db2.gz KPJCGOMTXPLWOL-MAZHCROVSA-N -1 0 372.856 4.261 20 30 FIEDRM Cc1nc(CC2CC2)sc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000475037950 1095254931 /nfs/dbraw/zinc/25/49/31/1095254931.db2.gz IHNGBZBVXAWOIW-LBPRGKRZSA-N -1 0 365.380 4.308 20 30 FIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccn(C(C)C)n3)n2)cc1 ZINC000503508870 1096440815 /nfs/dbraw/zinc/44/08/15/1096440815.db2.gz WQOGIMMLWVLAQG-HNNXBMFYSA-N -1 0 350.447 4.386 20 30 FIEDRM CC(C)(C)CN(CCC#N)C(=O)c1cc(Cc2ccccc2)ccc1O ZINC000436569076 1099119743 /nfs/dbraw/zinc/11/97/43/1099119743.db2.gz ZOYLVFHXEGZAOO-UHFFFAOYSA-N -1 0 350.462 4.385 20 30 FIEDRM CSc1nc(C2CC2)cc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1C#N ZINC000436871699 1099383370 /nfs/dbraw/zinc/38/33/70/1099383370.db2.gz HSRUWEQUVGFQGY-UHFFFAOYSA-N -1 0 368.393 4.114 20 30 FIEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C\c1ccc(-n2cnc3ccccc32)cc1 ZINC000509700539 1100071773 /nfs/dbraw/zinc/07/17/73/1100071773.db2.gz YIBKEMOTHMPKAB-XFFZJAGNSA-N -1 0 366.380 4.161 20 30 FIEDRM N#CC(=C([O-])c1cc(C2CCCCC2)[nH]n1)c1cc(C(F)(F)F)ccn1 ZINC000518152808 1100950537 /nfs/dbraw/zinc/95/05/37/1100950537.db2.gz BWBCRIDWSKVHFO-CYBMUJFWSA-N -1 0 362.355 4.361 20 30 FIEDRM O=C(Cc1ccc2ccccc2c1)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000048567992 1101186511 /nfs/dbraw/zinc/18/65/11/1101186511.db2.gz HLVHSDNODVJGRQ-UHFFFAOYSA-N -1 0 357.406 4.008 20 30 FIEDRM CC(C)c1ccc(CC=NNc2nc(=O)c3cnn(C(C)(C)C)c3[nH]2)cc1 ZINC000760248646 1102092165 /nfs/dbraw/zinc/09/21/65/1102092165.db2.gz IJRWMXIQGGPTSZ-UHFFFAOYSA-N -1 0 366.469 4.051 20 30 FIEDRM N#Cc1ccc(NCC(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)cc1 ZINC000127614950 1102105027 /nfs/dbraw/zinc/10/50/27/1102105027.db2.gz AVGGOMNROYSLSL-UHFFFAOYSA-N -1 0 370.623 4.275 20 30 FIEDRM Cc1cccc(S(=O)(=O)[N-]C(=O)C(C)(C)c2ccc(Cl)cc2)c1 ZINC000054426154 1102228541 /nfs/dbraw/zinc/22/85/41/1102228541.db2.gz WNAFDAWDTCZGKJ-UHFFFAOYSA-N -1 0 351.855 4.271 20 30 FIEDRM Cc1cccc(S(=O)(=O)[N-]C(=O)CCc2ccc3ccccc3c2)c1 ZINC000054426159 1102228717 /nfs/dbraw/zinc/22/87/17/1102228717.db2.gz IZBQEQLAIIBATQ-UHFFFAOYSA-N -1 0 353.443 4.426 20 30 FIEDRM Cc1ccc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)nc1 ZINC000126655074 1102426954 /nfs/dbraw/zinc/42/69/54/1102426954.db2.gz XNVHGUAIGSUHLG-NSHDSACASA-N -1 0 355.369 4.282 20 30 FIEDRM COc1cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)ccc1F ZINC000121780407 1102436609 /nfs/dbraw/zinc/43/66/09/1102436609.db2.gz NZYITMMRKROVLG-CQSZACIVSA-N -1 0 352.390 4.448 20 30 FIEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1csc(Cc2ccccc2)n1 ZINC000122091556 1102517069 /nfs/dbraw/zinc/51/70/69/1102517069.db2.gz GFCBQINMBLLHLI-HNNXBMFYSA-N -1 0 372.453 4.111 20 30 FIEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccc(-c2ccccc2F)o1 ZINC000122861497 1102621413 /nfs/dbraw/zinc/62/14/13/1102621413.db2.gz GSZGRZSZLNTKBE-AWEZNQCLSA-N -1 0 359.360 4.462 20 30 FIEDRM N#CCc1ccnc(NC(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])c1 ZINC000532671358 1102869081 /nfs/dbraw/zinc/86/90/81/1102869081.db2.gz QVWJNNGNABMXEJ-UHFFFAOYSA-N -1 0 363.804 4.426 20 30 FIEDRM C=CCOc1ccc(CN[C@@H](C(=O)[O-])c2c(F)cccc2F)cc1Cl ZINC000426757436 1102972279 /nfs/dbraw/zinc/97/22/79/1102972279.db2.gz OULMJMYCKICMOQ-QGZVFWFLSA-N -1 0 367.779 4.099 20 30 FIEDRM CCS[C@@H](C(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(C)C ZINC000067600515 1102998421 /nfs/dbraw/zinc/99/84/21/1102998421.db2.gz XSLRLPMUXFONMD-GFCCVEGCSA-N -1 0 369.430 4.128 20 30 FIEDRM COCc1ncsc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000551506609 1103292846 /nfs/dbraw/zinc/29/28/46/1103292846.db2.gz KPOACCBGGNPJIZ-SECBINFHSA-N -1 0 363.851 4.043 20 30 FIEDRM CCO[C@H](C)c1ncc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)s1 ZINC000430603404 1103804274 /nfs/dbraw/zinc/80/42/74/1103804274.db2.gz NHSCLVZHAVYNOL-MNOVXSKESA-N -1 0 363.508 4.485 20 30 FIEDRM CCO[C@@H](C)c1ncc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)s1 ZINC000430603406 1103805895 /nfs/dbraw/zinc/80/58/95/1103805895.db2.gz NHSCLVZHAVYNOL-WDEREUQCSA-N -1 0 363.508 4.485 20 30 FIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cnc(C4CC4)nc3)n2)cc1 ZINC000520344301 1104283927 /nfs/dbraw/zinc/28/39/27/1104283927.db2.gz GTFLJCKFRSBAQH-MRXNPFEDSA-N -1 0 360.442 4.276 20 30 FIEDRM N#CC(=C([O-])c1c[nH]nc1-c1ccc(Cl)s1)c1nc2ccccc2o1 ZINC000188720052 1104751387 /nfs/dbraw/zinc/75/13/87/1104751387.db2.gz ZZCNCJFKCIIAKM-VIFPVBQESA-N -1 0 368.805 4.423 20 30 FIEDRM C=CCCCS(=O)(=O)[N-]c1nc(C)c(Cc2ccc(F)cc2F)s1 ZINC000427751314 1105266985 /nfs/dbraw/zinc/26/69/85/1105266985.db2.gz CAGCXFBWJNVXTG-UHFFFAOYSA-N -1 0 372.462 4.028 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2ccc3[nH]c(-c4ccccc4)nc3c2)cc1[O-] ZINC000427810569 1105284639 /nfs/dbraw/zinc/28/46/39/1105284639.db2.gz ZVNCOJNZQHJSDZ-UHFFFAOYSA-N -1 0 354.369 4.059 20 30 FIEDRM COc1ccc2cc(C(=O)/C=C/c3ccc(OCC(=O)[O-])cc3)ccc2c1 ZINC000007742456 1106965745 /nfs/dbraw/zinc/96/57/45/1106965745.db2.gz JGRKBXBUZYPMGC-NYYWCZLTSA-N -1 0 362.381 4.208 20 30 FIEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000523135547 1107919660 /nfs/dbraw/zinc/91/96/60/1107919660.db2.gz PGORWXMHEIMQOB-UHFFFAOYSA-N -1 0 360.744 4.031 20 30 FIEDRM CSc1[n-]c(=O)c(C(=O)NC(C)(C)CC2CCCCCC2)cc1C#N ZINC000444567085 1107994568 /nfs/dbraw/zinc/99/45/68/1107994568.db2.gz FMNMAAGRKIPSJD-UHFFFAOYSA-N -1 0 361.511 4.250 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nn1[C@H](C)C1CC1 ZINC000531995434 1108526869 /nfs/dbraw/zinc/52/68/69/1108526869.db2.gz IBQDUFNNXJCHPM-BXUZGUMPSA-N -1 0 362.355 4.066 20 30 FIEDRM CC[C@@H](C)n1ncc2c1nc(C)cc2C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000523958037 1108702572 /nfs/dbraw/zinc/70/25/72/1108702572.db2.gz OQEQZFWLEKHIMD-HIFRSBDPSA-N -1 0 373.416 4.342 20 30 FIEDRM CCOCc1nc(C)c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)s1 ZINC000453781241 1108735293 /nfs/dbraw/zinc/73/52/93/1108735293.db2.gz RNMGWNYMRGHVCL-LLVKDONJSA-N -1 0 363.508 4.232 20 30 FIEDRM COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)[O-])cc1C#N ZINC000525623577 1109465718 /nfs/dbraw/zinc/46/57/18/1109465718.db2.gz MNHYFQOIFVLHRT-UVTDQMKNSA-N -1 0 356.381 4.300 20 30 FIEDRM N#CC(=C([O-])c1ccc(C#N)s1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000429724572 1109607031 /nfs/dbraw/zinc/60/70/31/1109607031.db2.gz NGIRLXWWRZYIAJ-AWEZNQCLSA-N -1 0 360.423 4.105 20 30 FIEDRM N#Cc1ccc(CSc2n[n-]c(=NCc3ccc(Cl)cc3)s2)cc1 ZINC000447954585 1109686352 /nfs/dbraw/zinc/68/63/52/1109686352.db2.gz NYQWTRACGKLQJJ-UHFFFAOYSA-N -1 0 372.906 4.389 20 30 FIEDRM N#CC(=C([O-])c1cc2c(ccc3ccccc23)o1)c1nnc2n1CCCCC2 ZINC000528928460 1110153498 /nfs/dbraw/zinc/15/34/98/1110153498.db2.gz OBFPIWBQBIKWFV-QGZVFWFLSA-N -1 0 370.412 4.394 20 30 FIEDRM COc1ccc2nc(C)cc(C([O-])=C(C#N)c3nc4ccccc4o3)c2c1 ZINC000538773899 1111286159 /nfs/dbraw/zinc/28/61/59/1111286159.db2.gz KVSAVSHQBJRJQF-MRXNPFEDSA-N -1 0 357.369 4.183 20 30 FIEDRM Cc1noc(C)c1C([O-])=C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000041549302 1111640128 /nfs/dbraw/zinc/64/01/28/1111640128.db2.gz SNRPQTPFCOXWSK-SNVBAGLBSA-N -1 0 365.336 4.410 20 30 FIEDRM Cc1onc(-c2cccnc2)c1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000552294004 1111662259 /nfs/dbraw/zinc/66/22/59/1111662259.db2.gz CDEDCSUTIXKOCJ-CYBMUJFWSA-N -1 0 352.419 4.115 20 30 FIEDRM N#CC(=C([O-])c1cnc(Oc2ccccc2)cn1)c1nc2ccccc2s1 ZINC000553026028 1111885067 /nfs/dbraw/zinc/88/50/67/1111885067.db2.gz XVXYGZXIEBFBOI-CQSZACIVSA-N -1 0 372.409 4.369 20 30 FIEDRM CSc1[n-]c(=O)c(C(=O)N2CCCCC[C@H]2c2ccccc2)cc1C#N ZINC000479936613 1112204885 /nfs/dbraw/zinc/20/48/85/1112204885.db2.gz BQGGOWHNVFEUBU-KRWDZBQOSA-N -1 0 367.474 4.138 20 30 FIEDRM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cccc2c1OCO2 ZINC000554670561 1112435899 /nfs/dbraw/zinc/43/58/99/1112435899.db2.gz NKNAFFLVVFECQV-UHFFFAOYSA-N -1 0 359.447 4.068 20 30 FIEDRM O=C(Cc1cccc(F)c1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000042233244 1112840606 /nfs/dbraw/zinc/84/06/06/1112840606.db2.gz DBDLMAFBYDIPNV-UHFFFAOYSA-N -1 0 362.209 4.020 20 30 FIEDRM CCCOc1nc(C)ccc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000482587712 1113303698 /nfs/dbraw/zinc/30/36/98/1113303698.db2.gz XBYVOQNKGDMWIZ-AWEZNQCLSA-N -1 0 363.339 4.083 20 30 FIEDRM CC(C)c1noc2ncc(C([O-])=C(C#N)c3nccc4ccccc43)cc21 ZINC000483193386 1113463765 /nfs/dbraw/zinc/46/37/65/1113463765.db2.gz ICUFGZIOFMXEQR-KRWDZBQOSA-N -1 0 356.385 4.384 20 30 FIEDRM Cn1ncc(C([O-])=C(C#N)c2nccc3ccccc32)c1-c1ccccc1 ZINC000483232932 1113472742 /nfs/dbraw/zinc/47/27/42/1113472742.db2.gz IFTBBKQKXNTDRK-SFHVURJKSA-N -1 0 352.397 4.125 20 30 FIEDRM C=CCSc1ccccc1C([O-])=C(C#N)c1nc(C(=O)OCC)cs1 ZINC000486996644 1113693923 /nfs/dbraw/zinc/69/39/23/1113693923.db2.gz IGUOWESQVMTJDL-CYBMUJFWSA-N -1 0 372.471 4.088 20 30 FIEDRM C=CC(C)(C)CC(=O)N(Cc1ccoc1C(=O)[O-])[C@H](C)c1ccccn1 ZINC000911330732 1113969577 /nfs/dbraw/zinc/96/95/77/1113969577.db2.gz SFLSHPLVAPKQSF-CQSZACIVSA-N -1 0 356.422 4.065 20 30 FIEDRM CCn1nc(C)cc1C([O-])=C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000587989047 1114507709 /nfs/dbraw/zinc/50/77/09/1114507709.db2.gz XNWARRCLWAKBQZ-NSHDSACASA-N -1 0 372.400 4.103 20 30 FIEDRM Cc1nn(-c2ccccc2)cc1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000588348685 1114576356 /nfs/dbraw/zinc/57/63/56/1114576356.db2.gz WECNUQUIICPALZ-HNNXBMFYSA-N -1 0 358.426 4.281 20 30 FIEDRM CC(C)(C)c1nc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cs1 ZINC000588348474 1114576736 /nfs/dbraw/zinc/57/67/36/1114576736.db2.gz OBQPSURKLVGAGO-SNVBAGLBSA-N -1 0 353.369 4.344 20 30 FIEDRM Cc1ccc2c(Cl)c(C(=O)N=c3[nH][n-]c(C4CC4)c3C#N)sc2c1 ZINC000588769621 1114618813 /nfs/dbraw/zinc/61/88/13/1114618813.db2.gz ZNFXHEYVKGDXMN-UHFFFAOYSA-N -1 0 356.838 4.010 20 30 FIEDRM CC(C)Sc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000588845576 1114657678 /nfs/dbraw/zinc/65/76/78/1114657678.db2.gz HEJIIIZGYKGDGR-UHFFFAOYSA-N -1 0 356.856 4.106 20 30 FIEDRM C[C@@H](Cc1cccc(F)c1)C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000058042345 1115076846 /nfs/dbraw/zinc/07/68/46/1115076846.db2.gz LZRZOAIMAHVDPI-AWEZNQCLSA-N -1 0 373.449 4.278 20 30 FIEDRM CC(C)Oc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)ccc1[N+](=O)[O-] ZINC000592401995 1115223973 /nfs/dbraw/zinc/22/39/73/1115223973.db2.gz KGWFIFPWOCCOKO-CYBMUJFWSA-N -1 0 371.418 4.206 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H](C)OC1CCCCCC1 ZINC000761001233 1115267618 /nfs/dbraw/zinc/26/76/18/1115267618.db2.gz JGAKDMLMUWRAOV-QAPCUYQASA-N -1 0 366.461 4.496 20 30 FIEDRM CC(C)(C#N)c1ccc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)cc1 ZINC000593207070 1115306638 /nfs/dbraw/zinc/30/66/38/1115306638.db2.gz YLNHEPDBZLDGEC-UHFFFAOYSA-N -1 0 370.474 4.077 20 30 FIEDRM CCC[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C(C)=O)cc1)c1ccccc1 ZINC000046929619 1115546601 /nfs/dbraw/zinc/54/66/01/1115546601.db2.gz BAPUGHANUZWISG-SFHVURJKSA-N -1 0 359.447 4.118 20 30 FIEDRM CSc1ccc(Cl)c(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000046927400 1115549074 /nfs/dbraw/zinc/54/90/74/1115549074.db2.gz NFPJNBQTFLLAQX-UHFFFAOYSA-N -1 0 355.868 4.064 20 30 FIEDRM O=C([O-])c1ccc(C(=O)/C=C/c2cc(F)ccc2Br)s1 ZINC000761197341 1115614754 /nfs/dbraw/zinc/61/47/54/1115614754.db2.gz CHAZEMIOGMJTLS-DAFODLJHSA-N -1 0 355.184 4.244 20 30 FIEDRM CCc1cc(C#N)c([N-]S(=O)(=O)Cc2ccc(C(F)F)cc2)s1 ZINC000593282175 1115639563 /nfs/dbraw/zinc/63/95/63/1115639563.db2.gz XJRXVNJFLLYYQU-UHFFFAOYSA-N -1 0 356.419 4.062 20 30 FIEDRM N#CC(=C([O-])c1csc(C(F)(F)F)n1)c1nc2cc(F)ccc2s1 ZINC000671278946 1115793170 /nfs/dbraw/zinc/79/31/70/1115793170.db2.gz PCIMYLDCCLLTLK-ZETCQYMHSA-N -1 0 371.340 4.401 20 30 FIEDRM CCCCCc1n[n-]c(=NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)s1 ZINC000608915381 1116135193 /nfs/dbraw/zinc/13/51/93/1116135193.db2.gz LHLAYCWGKNWAOR-UHFFFAOYSA-N -1 0 371.510 4.007 20 30 FIEDRM CC(C)(C)c1[n-]n(CCCOc2ccc(Cl)cc2)c(=O)c1CCC#N ZINC000535360995 1116298555 /nfs/dbraw/zinc/29/85/55/1116298555.db2.gz YBTYYEHVTGFMPF-UHFFFAOYSA-N -1 0 361.873 4.465 20 30 FIEDRM COc1ccccc1N=c1[n-]nc(S[C@@H](C)c2cccc(C#N)c2)s1 ZINC000442899857 1116328919 /nfs/dbraw/zinc/32/89/19/1116328919.db2.gz OBWBGNDKMQQUJY-LBPRGKRZSA-N -1 0 368.487 4.437 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(C#N)c3)cc2)o1 ZINC000540212198 1117939294 /nfs/dbraw/zinc/93/92/94/1117939294.db2.gz SJITZVIISQDHBP-UHFFFAOYSA-N -1 0 354.387 4.053 20 30 FIEDRM Cc1nc(C2CCCCC2)sc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000540364922 1118016409 /nfs/dbraw/zinc/01/64/09/1118016409.db2.gz DXALSSBAHXSLPS-HNNXBMFYSA-N -1 0 354.479 4.396 20 30 FIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1-c1ccccc1 ZINC000463525454 1118193714 /nfs/dbraw/zinc/19/37/14/1118193714.db2.gz AIMZBBHEMJUDRT-UHFFFAOYSA-N -1 0 364.426 4.035 20 30 FIEDRM CC(C)Cn1nc(-c2ccccc2)cc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000443477809 1118412465 /nfs/dbraw/zinc/41/24/65/1118412465.db2.gz TWHJLSBGDBHODY-UHFFFAOYSA-N -1 0 360.417 4.036 20 30 FIEDRM COCCOCc1ccc(C(=O)[C@@H](C#N)c2ncc(C(C)(C)C)s2)cc1 ZINC000464311293 1118522586 /nfs/dbraw/zinc/52/25/86/1118522586.db2.gz NYKNTHUEYNJWBA-MRXNPFEDSA-N -1 0 372.490 4.094 20 30 FIEDRM CO[C@H](C)c1nc(C)c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)s1 ZINC000464426562 1118561051 /nfs/dbraw/zinc/56/10/51/1118561051.db2.gz NMSTXGCJAGWSNN-KOLCDFICSA-N -1 0 369.368 4.063 20 30 FIEDRM Cc1ccccc1-n1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cn1 ZINC000464427778 1118561091 /nfs/dbraw/zinc/56/10/91/1118561091.db2.gz RHDGAJBSYRRGMK-HNNXBMFYSA-N -1 0 370.334 4.085 20 30 FIEDRM N#CC(=C([O-])c1ccc(Cl)cc1[N+](=O)[O-])c1cc(C(F)(F)F)ccn1 ZINC000464465983 1118572364 /nfs/dbraw/zinc/57/23/64/1118572364.db2.gz HGINPJORLLGBID-NSHDSACASA-N -1 0 369.686 4.152 20 30 FIEDRM CC[C@H](C)n1nc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cc1C ZINC000464466916 1118572478 /nfs/dbraw/zinc/57/24/78/1118572478.db2.gz MIFNNNSSLHBDSV-GWCFXTLKSA-N -1 0 350.344 4.066 20 30 FIEDRM COc1ccc(C(=O)/C=C\c2ccc(C(F)(F)F)s2)cc1CC(=O)[O-] ZINC000761474931 1119019486 /nfs/dbraw/zinc/01/94/86/1119019486.db2.gz BKPGSPGDVHSBKQ-HYXAFXHYSA-N -1 0 370.348 4.299 20 30 FIEDRM C[C@@H](Oc1cccc(C(=O)/C=C\c2ccc(F)c(C#N)c2Cl)c1)C(=O)[O-] ZINC000761477125 1119072403 /nfs/dbraw/zinc/07/24/03/1119072403.db2.gz LVDWUDRUAHBBOB-BPOWMSRESA-N -1 0 373.767 4.099 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2ccc(O[C@H](C)c3ccccc3)nc2)n1 ZINC000613286808 1119118769 /nfs/dbraw/zinc/11/87/69/1119118769.db2.gz UZTNJJXKXXBHTJ-RHSMWYFYSA-N -1 0 363.442 4.477 20 30 FIEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1ccc(F)c(C#N)c1Cl)CC2 ZINC000761479266 1119163172 /nfs/dbraw/zinc/16/31/72/1119163172.db2.gz YPPYYOYJYDBGCU-POHAHGRESA-N -1 0 359.740 4.163 20 30 FIEDRM CC(C)c1cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)nn1C ZINC000177603880 1119339563 /nfs/dbraw/zinc/33/95/63/1119339563.db2.gz NPCGSOWQKWLNGU-AWEZNQCLSA-N -1 0 350.447 4.157 20 30 FIEDRM CSc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1[N+](=O)[O-] ZINC000177742563 1119348824 /nfs/dbraw/zinc/34/88/24/1119348824.db2.gz COURQWGUEYRBLJ-NSHDSACASA-N -1 0 361.448 4.387 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2cnn(Cc3ccccc3)c2)n1 ZINC000177752551 1119349538 /nfs/dbraw/zinc/34/95/38/1119349538.db2.gz WAVZLUQQHGQQRH-MRXNPFEDSA-N -1 0 350.447 4.001 20 30 FIEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)c(F)c1 ZINC000493237778 1119380543 /nfs/dbraw/zinc/38/05/43/1119380543.db2.gz NKNFVJXEXBEYDF-UHFFFAOYSA-N -1 0 366.826 4.366 20 30 FIEDRM Cc1nc(-c2ccccc2)c(C([O-])=C(C#N)c2nc3ccccc3n2C)s1 ZINC000193263892 1120121331 /nfs/dbraw/zinc/12/13/31/1120121331.db2.gz ACDOTNYJYBDWAG-HNNXBMFYSA-N -1 0 372.453 4.495 20 30 FIEDRM Cn1cc(Cl)cc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000193775230 1120192021 /nfs/dbraw/zinc/19/20/21/1120192021.db2.gz ZRUSLVZRBSFMGA-JTQLQIEISA-N -1 0 350.230 4.432 20 30 FIEDRM O=C([O-])c1ccc(C(=O)/C=C\c2ccc(Br)cc2F)s1 ZINC000213231807 1120486733 /nfs/dbraw/zinc/48/67/33/1120486733.db2.gz KAYAALDLMLQJEB-RQOWECAXSA-N -1 0 355.184 4.244 20 30 FIEDRM Cc1ccc2nc(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)ccc2c1 ZINC000495298358 1120642965 /nfs/dbraw/zinc/64/29/65/1120642965.db2.gz ADWUAADTZXLLSY-AWEZNQCLSA-N -1 0 355.319 4.447 20 30 FIEDRM COc1ccc2nc(C)c(C([O-])=C(C#N)c3nc4ccccc4o3)cc2c1 ZINC000915102954 1120811789 /nfs/dbraw/zinc/81/17/89/1120811789.db2.gz LUZZTEVQJHVPAV-INIZCTEOSA-N -1 0 357.369 4.183 20 30 FIEDRM [O-]c1c(Cl)cc(Cl)cc1/C=N\Cc1cnn(CC(F)(F)F)c1 ZINC000763098021 1121114923 /nfs/dbraw/zinc/11/49/23/1121114923.db2.gz TUHFHENBCPGUEZ-IPKBDRFQSA-N -1 0 352.143 4.077 20 30 FIEDRM COc1ccc2oc(/C=C3\CCc4oc(C(=O)[O-])c(C)c4C3=O)cc2c1 ZINC000763289244 1121319398 /nfs/dbraw/zinc/31/93/98/1121319398.db2.gz HOSLXPJLGQMEBS-YRNVUSSQSA-N -1 0 352.342 4.254 20 30 FIEDRM Cc1cc([O-])cc2c1C(=O)C(=NN=c1cc(C)c3cc(Cl)ccc3[nH]1)O2 ZINC000915955446 1121353565 /nfs/dbraw/zinc/35/35/65/1121353565.db2.gz DUQNAPVUFCSYPO-UHFFFAOYSA-N -1 0 367.792 4.211 20 30 FIEDRM C[C@H](Cc1ccc(Br)cc1)/N=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000915978988 1121360164 /nfs/dbraw/zinc/36/01/64/1121360164.db2.gz LGJZOUMIVYPOIR-IPHDDYSGSA-N -1 0 363.211 4.113 20 30 FIEDRM O=C([O-])CCOc1ccc(/C=C/C(=O)c2ccccc2OC(F)F)cc1 ZINC000915982550 1121362932 /nfs/dbraw/zinc/36/29/32/1121362932.db2.gz KBGFNSHQIPJRCT-JXMROGBWSA-N -1 0 362.328 4.038 20 30 FIEDRM O=C([O-])c1ccc(C(=O)/C=C\c2ccc(OCc3ccncc3)cc2)s1 ZINC000915987888 1121368508 /nfs/dbraw/zinc/36/85/08/1121368508.db2.gz MBUUJLXCIRPNIQ-UTCJRWHESA-N -1 0 365.410 4.316 20 30 FIEDRM CCOc1c(Cl)cc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)cc1OC ZINC000915987978 1121368591 /nfs/dbraw/zinc/36/85/91/1121368591.db2.gz OKKKPKCSEQUQLK-RMKNXTFCSA-N -1 0 374.820 4.271 20 30 FIEDRM O=C([O-])CCOc1ccc(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000915989104 1121369157 /nfs/dbraw/zinc/36/91/57/1121369157.db2.gz XXQRZQBVXWHBGZ-XCVCLJGOSA-N -1 0 364.319 4.455 20 30 FIEDRM CC(=NNc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccc(C(=O)[O-])o2)cc1 ZINC000916268937 1121459615 /nfs/dbraw/zinc/45/96/15/1121459615.db2.gz HARNSGSSWCYJDL-UHFFFAOYSA-N -1 0 365.345 4.389 20 30 FIEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(SCC(F)(F)F)cc1 ZINC000763369429 1121493209 /nfs/dbraw/zinc/49/32/09/1121493209.db2.gz VSZDDIKXMXXFHL-UHFFFAOYSA-N -1 0 369.368 4.270 20 30 FIEDRM CCCCCCCCC(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000916804170 1121857360 /nfs/dbraw/zinc/85/73/60/1121857360.db2.gz IPKTZZVWYWREAU-UHFFFAOYSA-N -1 0 365.417 4.261 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1oc2ccccc2c1CSC ZINC000916875631 1121906142 /nfs/dbraw/zinc/90/61/42/1121906142.db2.gz FSDMJSRHHXFDKZ-HNNXBMFYSA-N -1 0 372.490 4.315 20 30 FIEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc(C)n(C2CCCCC2)c1C ZINC000916878144 1121907552 /nfs/dbraw/zinc/90/75/52/1121907552.db2.gz PBKMPDBGEMQXNZ-IBGZPJMESA-N -1 0 357.498 4.239 20 30 FIEDRM CCCCCCOc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000916893519 1121912272 /nfs/dbraw/zinc/91/22/72/1121912272.db2.gz BGGHIJXGNAQXJM-FQEVSTJZSA-N -1 0 370.493 4.417 20 30 FIEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cc2c(cccc2Cl)s1 ZINC000916895892 1121925293 /nfs/dbraw/zinc/92/52/93/1121925293.db2.gz WBCFSXGXAQBVMM-CYBMUJFWSA-N -1 0 360.866 4.326 20 30 FIEDRM N#C[C@@H](C(=O)c1cnc(-c2ccccc2)nc1)c1ccc2ccccc2n1 ZINC000624443409 1121989328 /nfs/dbraw/zinc/98/93/28/1121989328.db2.gz FGJSNQJMANTHPO-GOSISDBHSA-N -1 0 350.381 4.182 20 30 FIEDRM COc1cccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000066544945 1122072463 /nfs/dbraw/zinc/07/24/63/1122072463.db2.gz HDQBAIGTQWKRSW-QGZVFWFLSA-N -1 0 359.410 4.180 20 30 FIEDRM CC(C)c1cc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)n[nH]1 ZINC000066545243 1122072860 /nfs/dbraw/zinc/07/28/60/1122072860.db2.gz RUCSPHWZLYZWSI-CQSZACIVSA-N -1 0 361.430 4.018 20 30 FIEDRM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000066814047 1122098389 /nfs/dbraw/zinc/09/83/89/1122098389.db2.gz YZNDXGLWZRECAG-LLVKDONJSA-N -1 0 368.430 4.160 20 30 FIEDRM N#CC(=C([O-])c1ncoc1C1CC1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000497365005 1122143855 /nfs/dbraw/zinc/14/38/55/1122143855.db2.gz PTJPVPIENALCOB-AWEZNQCLSA-N -1 0 360.398 4.037 20 30 FIEDRM Cc1ccccc1CCC(=O)[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000091127224 1122160761 /nfs/dbraw/zinc/16/07/61/1122160761.db2.gz RLKYHIDFTAQSRR-UHFFFAOYSA-N -1 0 361.463 4.060 20 30 FIEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000154926717 1122925168 /nfs/dbraw/zinc/92/51/68/1122925168.db2.gz ZGPSNSFKULJAST-UHFFFAOYSA-N -1 0 351.431 4.041 20 30 FIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ncc(C#N)cc3C)n2)cc1 ZINC000556700735 1123046917 /nfs/dbraw/zinc/04/69/17/1123046917.db2.gz CQMQDJYDXKLDPE-MRXNPFEDSA-N -1 0 358.426 4.184 20 30 FIEDRM CCOCCOc1ccccc1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000499192846 1123313840 /nfs/dbraw/zinc/31/38/40/1123313840.db2.gz SRBDRZDYCNQGQN-HNNXBMFYSA-N -1 0 366.442 4.202 20 30 FIEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2csc(-c3ccsc3)n2)cc1 ZINC000920067748 1123328180 /nfs/dbraw/zinc/32/81/80/1123328180.db2.gz CUDLCXBABZTPHV-AATRIKPKSA-N -1 0 355.440 4.395 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)Cc1cc2ccccc2o1 ZINC000920104217 1123351638 /nfs/dbraw/zinc/35/16/38/1123351638.db2.gz LZODZQDVORSCGN-KRWDZBQOSA-N -1 0 356.381 4.357 20 30 FIEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(OCC2CCCCC2)cc1 ZINC000920107066 1123352701 /nfs/dbraw/zinc/35/27/01/1123352701.db2.gz LHLUTLQJOMELMA-FQEVSTJZSA-N -1 0 370.493 4.275 20 30 FIEDRM C[C@H](C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])COCc1ccccc1 ZINC000920174261 1123403281 /nfs/dbraw/zinc/40/32/81/1123403281.db2.gz LJKVBKHFIBBQLZ-CFFVULROSA-N -1 0 362.813 4.226 20 30 FIEDRM C[C@H](C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])COCc1ccccc1 ZINC000920174270 1123403565 /nfs/dbraw/zinc/40/35/65/1123403565.db2.gz LJKVBKHFIBBQLZ-RNDVCUHJSA-N -1 0 362.813 4.226 20 30 FIEDRM Cc1ccc(OCc2nc(C=NNc3ccc(C(=O)[O-])cc3)cs2)cc1 ZINC000920359572 1123447153 /nfs/dbraw/zinc/44/71/53/1123447153.db2.gz OLSUWCCDYBLIDS-UHFFFAOYSA-N -1 0 367.430 4.175 20 30 FIEDRM COc1cc(C)c(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1OC ZINC000920942545 1123539801 /nfs/dbraw/zinc/53/98/01/1123539801.db2.gz FOAKCRBNYPFXSQ-UHFFFAOYSA-N -1 0 350.758 4.030 20 30 FIEDRM N#CC1(c2ccc(Nc3ccc4ccc(S(=O)(=O)[O-])cc4c3)cc2)CC1 ZINC001212257823 1123701903 /nfs/dbraw/zinc/70/19/03/1123701903.db2.gz JMERWLDZGYEEHD-UHFFFAOYSA-N -1 0 364.426 4.385 20 30 FIEDRM Cc1nc(CCCC(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)cs1 ZINC000175088898 1123725443 /nfs/dbraw/zinc/72/54/43/1123725443.db2.gz JNRATMHSUYOWGO-INIZCTEOSA-N -1 0 365.458 4.156 20 30 FIEDRM Cc1nc(CCCC(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)cs1 ZINC000175088915 1123725461 /nfs/dbraw/zinc/72/54/61/1123725461.db2.gz JNRATMHSUYOWGO-MRXNPFEDSA-N -1 0 365.458 4.156 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2cccs2)c(F)c1 ZINC000610056177 1123929965 /nfs/dbraw/zinc/92/99/65/1123929965.db2.gz DHBQBCIMXLRTBQ-UHFFFAOYSA-N -1 0 358.419 4.227 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3oc4ccccc4c3c2)c(F)c1 ZINC000610056461 1123930000 /nfs/dbraw/zinc/93/00/00/1123930000.db2.gz SSJHUKUWMZMFEZ-UHFFFAOYSA-N -1 0 366.373 4.398 20 30 FIEDRM CC(C)NC(=O)Nc1ccccc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000080455432 1123966282 /nfs/dbraw/zinc/96/62/82/1123966282.db2.gz ZZBFFGYBHFGNGL-CQSZACIVSA-N -1 0 370.478 4.286 20 30 FIEDRM CC(C)C(=O)Nc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000080452792 1123966409 /nfs/dbraw/zinc/96/64/09/1123966409.db2.gz JIARMGSUABLTBP-HNNXBMFYSA-N -1 0 355.463 4.351 20 30 FIEDRM O=C([N-]CC#Cc1ccc(C(F)(F)F)cc1)C(F)(F)c1ccccc1F ZINC000765851951 1124224892 /nfs/dbraw/zinc/22/48/92/1124224892.db2.gz IWOHOISJOIYLRQ-UHFFFAOYSA-N -1 0 371.280 4.104 20 30 FIEDRM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccccc2-c2ccno2)c1 ZINC000542934703 1124904789 /nfs/dbraw/zinc/90/47/89/1124904789.db2.gz RGKGAMNEBMSMTK-UHFFFAOYSA-N -1 0 370.430 4.097 20 30 FIEDRM Cc1sc(-c2ccco2)nc1C(=O)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000069572256 1124991580 /nfs/dbraw/zinc/99/15/80/1124991580.db2.gz DFOBUTFFEYRIEK-LUAWRHEFSA-N -1 0 374.443 4.017 20 30 FIEDRM O=C([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1)C1(c2ccccc2)CC1 ZINC000069622122 1125043457 /nfs/dbraw/zinc/04/34/57/1125043457.db2.gz XNVHLZJOQUADBM-UHFFFAOYSA-N -1 0 369.364 4.082 20 30 FIEDRM O=C([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1Cl ZINC000069641483 1125079127 /nfs/dbraw/zinc/07/91/27/1125079127.db2.gz XUZYKTNIJWOMKS-UHFFFAOYSA-N -1 0 370.666 4.402 20 30 FIEDRM Cc1nc2c(cccc2C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)o1 ZINC000672581872 1125188647 /nfs/dbraw/zinc/18/86/47/1125188647.db2.gz MBBNKAYSRZGNMG-GFCCVEGCSA-N -1 0 366.327 4.371 20 30 FIEDRM O=C([N-]S(=O)(=O)c1ccccc1)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000070028859 1125243570 /nfs/dbraw/zinc/24/35/70/1125243570.db2.gz RBQVDNAFTYJWFG-QWHCGFSZSA-N -1 0 370.257 4.442 20 30 FIEDRM O=C(Cc1c[nH]c2cc(Cl)ccc12)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000070030753 1125243854 /nfs/dbraw/zinc/24/38/54/1125243854.db2.gz RGJIKMLTVDTMRX-CMDGGOBGSA-N -1 0 374.849 4.321 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cc([N+](=O)[O-])c1 ZINC000146984628 1125287346 /nfs/dbraw/zinc/28/73/46/1125287346.db2.gz LMFHAXUUYPQOKK-ZDUSSCGKSA-N -1 0 370.315 4.138 20 30 FIEDRM Cc1[n-]n(-c2cc(C(F)(F)F)ccc2Br)c(=O)c1CCC#N ZINC000601944372 567882380 /nfs/dbraw/zinc/88/23/80/567882380.db2.gz GJDHCOLIRYWSCA-JTQLQIEISA-N -1 0 374.160 4.110 20 30 FIEDRM CC(C)Oc1ccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cn1 ZINC000051534909 568066309 /nfs/dbraw/zinc/06/63/09/568066309.db2.gz MYUYGXXMAMWESI-INIZCTEOSA-N -1 0 363.442 4.482 20 30 FIEDRM N#CC(=C([O-])c1cccc([N+](=O)[O-])c1)c1nc2cc(Cl)ccc2s1 ZINC000603846331 568157521 /nfs/dbraw/zinc/15/75/21/568157521.db2.gz PHNLFQJHVHNHDD-GFCCVEGCSA-N -1 0 357.778 4.348 20 30 FIEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccccc1SC1CCCC1 ZINC000482077390 568254833 /nfs/dbraw/zinc/25/48/33/568254833.db2.gz FDXRRLRJMHFSSZ-UHFFFAOYSA-N -1 0 358.488 4.394 20 30 FIEDRM N#CC(=C([O-])c1ccc(C#N)nc1)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000604690928 568346028 /nfs/dbraw/zinc/34/60/28/568346028.db2.gz PHRVMHQZWWFGIF-LBPRGKRZSA-N -1 0 372.331 4.072 20 30 FIEDRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)cc1 ZINC000183130431 1125754754 /nfs/dbraw/zinc/75/47/54/1125754754.db2.gz SIGPKYUCHMBVOK-LSDHHAIUSA-N -1 0 358.463 4.292 20 30 FIEDRM CC(C)S(=O)(=O)[N-]C(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl ZINC000049418186 1079528819 /nfs/dbraw/zinc/52/88/19/1079528819.db2.gz GKJCTTOEPJUHCI-MRVPVSSYSA-N -1 0 356.296 4.169 20 30 FIEDRM CCCCS(=O)(=O)[N-]C(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000042343976 1079818649 /nfs/dbraw/zinc/81/86/49/1079818649.db2.gz FPHUPYVIFOHNBF-UHFFFAOYSA-N -1 0 372.899 4.092 20 30 FIEDRM [O-]c1c(Br)cc(C=NOC/C=C\Cl)cc1Br ZINC000811670664 1080141252 /nfs/dbraw/zinc/14/12/52/1080141252.db2.gz YKAQNKCVGURCBD-MTTUKDABSA-N -1 0 369.440 4.020 20 30 FIEDRM COc1cccc(CCC(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)c1 ZINC000121000553 1081147919 /nfs/dbraw/zinc/14/79/19/1081147919.db2.gz SLDJULOHURLJIM-GOSISDBHSA-N -1 0 360.413 4.009 20 30 FIEDRM O=C(Cc1c(F)cccc1Cl)[N-]S(=O)(=O)c1ccccc1Cl ZINC000048576039 1081381287 /nfs/dbraw/zinc/38/12/87/1081381287.db2.gz YHMQUYKVJZMEIX-UHFFFAOYSA-N -1 0 362.209 4.020 20 30 FIEDRM CC(C)c1ccc(OCC(=O)[N-]S(=O)(=O)c2ccccc2Cl)cc1 ZINC000048577074 1081382913 /nfs/dbraw/zinc/38/29/13/1081382913.db2.gz NUKIVQZVEBXOGF-UHFFFAOYSA-N -1 0 367.854 4.188 20 30 FIEDRM O=C([N-]S(=O)(=O)c1ccccc1Cl)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000050205039 1081921485 /nfs/dbraw/zinc/92/14/85/1081921485.db2.gz PJYHBGOWFJTASH-OLZOCXBDSA-N -1 0 370.257 4.442 20 30 FIEDRM Cc1nc(-c2ccc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)cc2)n[nH]1 ZINC000581347052 1082482480 /nfs/dbraw/zinc/48/24/80/1082482480.db2.gz ZCHFXRRLUJSOBJ-AWEZNQCLSA-N -1 0 365.462 4.024 20 30 FIEDRM CCn1c2ccccc2c2cc(C=CC([O-])=C3C(=O)C=C(C)OC3=O)ccc21 ZINC000255344361 1082763785 /nfs/dbraw/zinc/76/37/85/1082763785.db2.gz LFIQHMMZPFAVTC-NAMLBJQJSA-N -1 0 373.408 4.043 20 30 FIEDRM CCCc1cc(C([O-])=C(C#N)c2nc(-c3ccc(C)cc3)cs2)n[nH]1 ZINC000051151980 1082781985 /nfs/dbraw/zinc/78/19/85/1082781985.db2.gz SISVYIMZFSLTFA-HNNXBMFYSA-N -1 0 350.447 4.284 20 30 FIEDRM COc1cc(/C=C\C(=O)c2ccc(Cl)cc2)ccc1OCCC(=O)[O-] ZINC000588429761 1082919409 /nfs/dbraw/zinc/91/94/09/1082919409.db2.gz LENQFYZRKCNFSZ-WAPJZHGLSA-N -1 0 360.793 4.098 20 30 FIEDRM COc1cc(/C=C\C(=O)c2cccc(Cl)c2)ccc1OCCC(=O)[O-] ZINC000588429753 1082919442 /nfs/dbraw/zinc/91/94/42/1082919442.db2.gz FKAOSUVFVOHMFH-ALCCZGGFSA-N -1 0 360.793 4.098 20 30 FIEDRM N#CCc1cccc(C(=O)Nc2cc(Br)cc(Cl)c2[O-])c1 ZINC000535653726 1083250651 /nfs/dbraw/zinc/25/06/51/1083250651.db2.gz ATVFOEURNLHFRB-UHFFFAOYSA-N -1 0 365.614 4.126 20 30 FIEDRM COc1cccc(C(C)=CC(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)c1 ZINC000176083323 1083263061 /nfs/dbraw/zinc/26/30/61/1083263061.db2.gz XNEBMNOLOQTLGA-VUVZNRFTSA-N -1 0 372.424 4.480 20 30 FIEDRM COc1cc(/C=C2\C[C@H](C)c3ccccc3C2=O)ccc1OCCC(=O)[O-] ZINC000588460332 1083327601 /nfs/dbraw/zinc/32/76/01/1083327601.db2.gz MDBUPAUABQSLDA-AOHITCTBSA-N -1 0 366.413 4.322 20 30 FIEDRM N#Cc1ccc(CC(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)cc1 ZINC000179322373 1083371333 /nfs/dbraw/zinc/37/13/33/1083371333.db2.gz RDODTIQSITVKPU-UHFFFAOYSA-N -1 0 355.608 4.405 20 30 FIEDRM N#CCCCOc1cccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000255673224 1083372991 /nfs/dbraw/zinc/37/29/91/1083372991.db2.gz YQJHBQCVTZZNIA-UHFFFAOYSA-N -1 0 359.769 4.387 20 30 FIEDRM Cn1cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)c(C(C)(C)C)n1 ZINC000092314811 1083376157 /nfs/dbraw/zinc/37/61/57/1083376157.db2.gz XHMAHRFJUJFRNR-LLVKDONJSA-N -1 0 372.881 4.471 20 30 FIEDRM Cc1cn(-c2ccc(F)cc2)nc1C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000647379867 1083376226 /nfs/dbraw/zinc/37/62/26/1083376226.db2.gz UAQDZGLAHSHKNS-HNNXBMFYSA-N -1 0 366.421 4.144 20 30 FIEDRM C[C@H]1Oc2ccc(N=Cc3cc(Cl)cc(Cl)c3[O-])cc2NC1=O ZINC000255692007 1083415929 /nfs/dbraw/zinc/41/59/29/1083415929.db2.gz HKTIDFOLSPRJPX-MRVPVSSYSA-N -1 0 351.189 4.169 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cc2nc(C)ccc2o1 ZINC000179588680 1083564655 /nfs/dbraw/zinc/56/46/55/1083564655.db2.gz ZPIOYJKGGQHUDL-CQSZACIVSA-N -1 0 357.369 4.131 20 30 FIEDRM CC(C)(C)c1[n-]n(Cc2coc(-c3cccs3)n2)c(=O)c1CCC#N ZINC000151837130 1083749393 /nfs/dbraw/zinc/74/93/93/1083749393.db2.gz FUQZJBANHNGHRB-UHFFFAOYSA-N -1 0 356.451 4.107 20 30 FIEDRM CCOc1c(OC)cc(/C=C\C(=O)c2ccc([O-])c(Cl)c2)cc1OC ZINC000588480252 1083862806 /nfs/dbraw/zinc/86/28/06/1083862806.db2.gz HHQMWBRVWCGRJM-ALCCZGGFSA-N -1 0 362.809 4.358 20 30 FIEDRM C=C[C@@H](CC(=O)Nc1cccc(CSCC(=O)[O-])c1)c1ccccc1 ZINC000431660369 1083915919 /nfs/dbraw/zinc/91/59/19/1083915919.db2.gz JDTNYCNDUMOVOP-INIZCTEOSA-N -1 0 355.459 4.303 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)nn1C(F)F ZINC000536440781 1084314358 /nfs/dbraw/zinc/31/43/58/1084314358.db2.gz XUVOYQYJOXYTQF-GFCCVEGCSA-N -1 0 358.373 4.200 20 30 FIEDRM Cc1cc(CN=c2[n-]nc(SCc3ccc(F)cc3)s2)ccc1C#N ZINC000581171630 1084513293 /nfs/dbraw/zinc/51/32/93/1084513293.db2.gz URHZNFUGMALUBP-UHFFFAOYSA-N -1 0 370.478 4.184 20 30 FIEDRM Cc1nc(C(C)C)ncc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000892538453 1084566766 /nfs/dbraw/zinc/56/67/66/1084566766.db2.gz KYYHWFYFDZXTFP-LBPRGKRZSA-N -1 0 369.375 4.143 20 30 FIEDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2SCCC#N)c(F)cc1F ZINC000175770147 1085000737 /nfs/dbraw/zinc/00/07/37/1085000737.db2.gz NAMWAHNTLJISGX-UHFFFAOYSA-N -1 0 368.430 4.080 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cnc(C4CC4)o3)n2)cc1 ZINC000892606638 1085016263 /nfs/dbraw/zinc/01/62/63/1085016263.db2.gz JKGIXELSUYBQFP-AWEZNQCLSA-N -1 0 365.414 4.174 20 30 FIEDRM Cc1nc(C2CC2)ccc1C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000892607818 1085021056 /nfs/dbraw/zinc/02/10/56/1085021056.db2.gz ZQFRWPMJJODDGW-INIZCTEOSA-N -1 0 360.442 4.276 20 30 FIEDRM Cc1[nH]c(-c2ccccc2)nc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000643777983 1085093574 /nfs/dbraw/zinc/09/35/74/1085093574.db2.gz IXAYZYUNVCOILK-AWEZNQCLSA-N -1 0 370.334 4.289 20 30 FIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)c1 ZINC000479498573 1085181726 /nfs/dbraw/zinc/18/17/26/1085181726.db2.gz NBBZLSJZJJAEKG-UHFFFAOYSA-N -1 0 357.822 4.008 20 30 FIEDRM COc1ccc(NC(C)=O)cc1N=Cc1cc(Cl)cc(Cl)c1[O-] ZINC000255522326 1085403444 /nfs/dbraw/zinc/40/34/44/1085403444.db2.gz RZLBQOPVDZMEPL-UHFFFAOYSA-N -1 0 353.205 4.417 20 30 FIEDRM N#CCSc1cccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1 ZINC000432230214 1085747151 /nfs/dbraw/zinc/74/71/51/1085747151.db2.gz ZBZMECQNMCPFQX-AWEZNQCLSA-N -1 0 361.348 4.206 20 30 FIEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1ccc(Cl)c(F)c1 ZINC000161897863 1086979637 /nfs/dbraw/zinc/97/96/37/1086979637.db2.gz CWISBHIPGHVXDT-ZDUSSCGKSA-N -1 0 354.768 4.474 20 30 FIEDRM CC(=Cc1ccc(SC(F)(F)F)cc1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000588611108 1087466108 /nfs/dbraw/zinc/46/61/08/1087466108.db2.gz MYFDAJZNEAXLTP-VQHVLOKHSA-N -1 0 351.353 4.122 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccn(-c3cccc(F)c3)n2)n1 ZINC000080455742 1087636565 /nfs/dbraw/zinc/63/65/65/1087636565.db2.gz CQZGOWICSDNDJC-CQSZACIVSA-N -1 0 354.410 4.081 20 30 FIEDRM N#CC(=C([O-])c1csc(N2CCCCC2)n1)c1nc2ccccc2s1 ZINC000892423158 1087749460 /nfs/dbraw/zinc/74/94/60/1087749460.db2.gz CDQLMGUESZAZRX-LBPRGKRZSA-N -1 0 368.487 4.233 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cnc(-c3ccc(F)c(F)c3)s2)n1 ZINC000505293461 1088328934 /nfs/dbraw/zinc/32/89/34/1088328934.db2.gz JAAIPCRXCSESKN-JTQLQIEISA-N -1 0 361.398 4.343 20 30 FIEDRM COc1cc(Oc2ccccc2)ccc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188959145 1088357028 /nfs/dbraw/zinc/35/70/28/1088357028.db2.gz QLSBONVAAUPRGX-UHFFFAOYSA-N -1 0 360.369 4.317 20 30 FIEDRM Cc1cn2cc(C([O-])=C(C#N)c3nc4cc(Cl)ccc4s3)sc2n1 ZINC000505427102 1088712187 /nfs/dbraw/zinc/71/21/87/1088712187.db2.gz DTXPGECYLSVBAC-JTQLQIEISA-N -1 0 372.862 4.457 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2csc(N3CCCCC3)n2)n1 ZINC000892801549 1089093625 /nfs/dbraw/zinc/09/36/25/1089093625.db2.gz JPFAFMBXKFHJEY-LBPRGKRZSA-N -1 0 360.508 4.203 20 30 FIEDRM C=CCC[C@H](NC(=O)CC1(C(=O)[O-])Cc2ccccc2C1)c1ccccc1 ZINC000434930770 1089147836 /nfs/dbraw/zinc/14/78/36/1089147836.db2.gz KKYUCHGGVANJOL-FQEVSTJZSA-N -1 0 363.457 4.070 20 30 FIEDRM C[C@H](Oc1cccc(/C=C/C(=O)c2ccccc2OC(F)F)c1)C(=O)[O-] ZINC000728695029 1089235569 /nfs/dbraw/zinc/23/55/69/1089235569.db2.gz QAJMECCRJFWNFB-VMPCVLLUSA-N -1 0 362.328 4.036 20 30 FIEDRM CCn1cc(C([O-])=C(C#N)c2nc3ccccc3s2)c(C(F)(F)F)n1 ZINC000435769161 1089926242 /nfs/dbraw/zinc/92/62/42/1089926242.db2.gz INHOTAZSPJCAOV-VIFPVBQESA-N -1 0 364.352 4.022 20 30 FIEDRM Cc1cc(/C=C2/CN(C)Cc3c2nc2ccccc2c3C(=O)[O-])ccc1C#N ZINC000435755987 1089931704 /nfs/dbraw/zinc/93/17/04/1089931704.db2.gz OHXDUWRMOCGOCQ-YVLHZVERSA-N -1 0 369.424 4.099 20 30 FIEDRM CN(C)c1cccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000549410525 1090271657 /nfs/dbraw/zinc/27/16/57/1090271657.db2.gz FZQWHOXZKOTLON-SFHVURJKSA-N -1 0 372.453 4.238 20 30 FIEDRM COCCSc1ccc([C@H](C)/N=C\c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000728785703 1091076498 /nfs/dbraw/zinc/07/64/98/1091076498.db2.gz OJTLFDMHIIDJMD-QXGSTRBFSA-N -1 0 360.435 4.219 20 30 FIEDRM CC[C@H](NC(=O)C(C#N)=C([O-])c1cccc(Cl)c1C)c1ccccc1 ZINC000193884157 1091330074 /nfs/dbraw/zinc/33/00/74/1091330074.db2.gz GLIHWCGAMOAJPA-AEFFLSMTSA-N -1 0 354.837 4.238 20 30 FIEDRM N#CC(=C([O-])c1c[nH]nc1-c1cc2ccccc2o1)c1nc2ccccc2o1 ZINC000187290573 1091868641 /nfs/dbraw/zinc/86/86/41/1091868641.db2.gz ZESUJDJXNJMYAJ-CYBMUJFWSA-N -1 0 368.352 4.454 20 30 FIEDRM COc1ccc2occ(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)c2c1 ZINC000442031757 1092394387 /nfs/dbraw/zinc/39/43/87/1092394387.db2.gz NALWAFHBCWJNTJ-ZDUSSCGKSA-N -1 0 360.291 4.345 20 30 FIEDRM Cc1nc(-c2ccc(C([O-])=C(C#N)c3nc4[nH]ccc(C)c-4n3)cc2)cs1 ZINC000442530834 1092670652 /nfs/dbraw/zinc/67/06/52/1092670652.db2.gz QRDMOOJFRHDKFE-OAHLLOKOSA-N -1 0 373.441 4.188 20 30 FIEDRM COCCCOc1cccc(C([O-])=C(C#N)c2nc3ccccc3s2)c1 ZINC000442621606 1092702107 /nfs/dbraw/zinc/70/21/07/1092702107.db2.gz ZCNGLCGLBDYGLM-INIZCTEOSA-N -1 0 366.442 4.202 20 30 FIEDRM Cc1cc(Br)ccc1/C=C\C(=O)c1ccc(CC(=O)[O-])cc1 ZINC000759121190 1092842900 /nfs/dbraw/zinc/84/29/00/1092842900.db2.gz NSHZKJLQKHURIJ-CLFYSBASSA-N -1 0 359.219 4.281 20 30 FIEDRM C[C@H](Sc1n[n-]c(=NCc2ccccc2)s1)c1cccc(C#N)c1 ZINC000442912097 1092849642 /nfs/dbraw/zinc/84/96/42/1092849642.db2.gz CGRQYHCKCXYGFL-ZDUSSCGKSA-N -1 0 352.488 4.297 20 30 FIEDRM C=C[C@@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(SC)cc1)c1ccccc1 ZINC000191071730 1092982999 /nfs/dbraw/zinc/98/29/99/1092982999.db2.gz FSGBRBREKOBFQJ-KXBFYZLASA-N -1 0 369.486 4.400 20 30 FIEDRM CSc1[n-]c(=O)c(C(=O)N(Cc2ccccc2)CC(C)(C)C)cc1C#N ZINC000609549782 1093147695 /nfs/dbraw/zinc/14/76/95/1093147695.db2.gz VIGZMKZEVQNVMA-UHFFFAOYSA-N -1 0 369.490 4.069 20 30 FIEDRM N#CC(=C([O-])c1cnc(-c2ccccc2)nc1)c1nc2ccccc2s1 ZINC000522231820 1093225092 /nfs/dbraw/zinc/22/50/92/1093225092.db2.gz HOVNDLPYNDYGSP-HNNXBMFYSA-N -1 0 356.410 4.243 20 30 FIEDRM N#CCCN(Cc1ccccn1)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000094107461 1093311445 /nfs/dbraw/zinc/31/14/45/1093311445.db2.gz NMLSPSZUPGYSSC-UHFFFAOYSA-N -1 0 365.820 4.150 20 30 FIEDRM CSc1[n-]c(=O)c(C(=O)Nc2cccc(-c3cccs3)c2)cc1C#N ZINC000512829281 1093409111 /nfs/dbraw/zinc/40/91/11/1093409111.db2.gz SIBOQUWIXWKBFN-UHFFFAOYSA-N -1 0 367.455 4.362 20 30 FIEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000509817959 1093429215 /nfs/dbraw/zinc/42/92/15/1093429215.db2.gz HNOHXQYQNDGSIT-UHFFFAOYSA-N -1 0 361.772 4.353 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2csc(Nc3ccccn3)n2)n1 ZINC000474442994 1093791118 /nfs/dbraw/zinc/79/11/18/1093791118.db2.gz BEQHMDMXZFDWPG-LLVKDONJSA-N -1 0 369.475 4.352 20 30 FIEDRM O=C1c2ccc(Cl)c(Cl)c2C/C1=C/c1ccc([N+](=O)[O-])c([O-])c1 ZINC000729151802 1093935818 /nfs/dbraw/zinc/93/58/18/1093935818.db2.gz YARWGPKUYHCNKQ-UITAMQMPSA-N -1 0 350.157 4.430 20 30 FIEDRM C[C@H](Oc1cccc(C(=O)/C=C/c2ccc3c(c2)CC(C)(C)O3)c1)C(=O)[O-] ZINC000729151198 1093935833 /nfs/dbraw/zinc/93/58/33/1093935833.db2.gz SWCVOCJIBIVADX-KGXGESDWSA-N -1 0 366.413 4.148 20 30 FIEDRM COCc1ncc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)s1 ZINC000513667166 1094263354 /nfs/dbraw/zinc/26/33/54/1094263354.db2.gz PTJHNJPKSPDWNX-SECBINFHSA-N -1 0 363.851 4.043 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3s2)cnn1Cc1ccccc1 ZINC000513677646 1094268923 /nfs/dbraw/zinc/26/89/23/1094268923.db2.gz ZWVZONODYCIDKQ-INIZCTEOSA-N -1 0 372.453 4.340 20 30 FIEDRM COc1cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cc(C)n1 ZINC000501331914 1094641063 /nfs/dbraw/zinc/64/10/63/1094641063.db2.gz WFRTVEUXGXSNJP-GFCCVEGCSA-N -1 0 357.822 4.152 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cc(-c3ccco3)nn2-c2ccccc2)n1 ZINC000041517448 1094641469 /nfs/dbraw/zinc/64/14/69/1094641469.db2.gz YQACIMPELCPIQW-OAHLLOKOSA-N -1 0 374.425 4.387 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2NC(=O)c2ccccc2)n1 ZINC000041516565 1094642941 /nfs/dbraw/zinc/64/29/41/1094642941.db2.gz QIVGMONPFWRBBK-MRXNPFEDSA-N -1 0 361.426 4.194 20 30 FIEDRM C=CCCC1(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)CC1 ZINC000474899732 1094886874 /nfs/dbraw/zinc/88/68/74/1094886874.db2.gz VLKCZYNWBJUIBW-UHFFFAOYSA-N -1 0 370.474 4.172 20 30 FIEDRM Cc1nc(CC2CC2)oc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000474961257 1094953544 /nfs/dbraw/zinc/95/35/44/1094953544.db2.gz GDSOTZJVHJXUDP-GFCCVEGCSA-N -1 0 370.359 4.170 20 30 FIEDRM O=C(Nc1cc(Br)cc(Cl)c1[O-])[C@@H]1CCCN1C1CC1 ZINC000330303297 1095477201 /nfs/dbraw/zinc/47/72/01/1095477201.db2.gz JUSYEINRUOQMPM-LBPRGKRZSA-N -1 0 359.651 4.023 20 30 FIEDRM C=CCc1cc(/C=C\c2nc3c(cccc3C(=O)[O-])o2)cc(OC)c1O ZINC000436783271 1099315276 /nfs/dbraw/zinc/31/52/76/1099315276.db2.gz LNYGXMMGBYYYMV-HJWRWDBZSA-N -1 0 351.358 4.139 20 30 FIEDRM Cn1ncc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)c1C(F)F ZINC000067620559 1099427127 /nfs/dbraw/zinc/42/71/27/1099427127.db2.gz NMTYUEWTYQFESW-QMMMGPOBSA-N -1 0 366.780 4.111 20 30 FIEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(-c4ccccc4)nc3C)nc1-2 ZINC000505997529 1099728581 /nfs/dbraw/zinc/72/85/81/1099728581.db2.gz NUGOCTDKKBIYJO-KRWDZBQOSA-N -1 0 367.412 4.127 20 30 FIEDRM CC(C)(C#N)c1ccc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC000263495861 1099795551 /nfs/dbraw/zinc/79/55/51/1099795551.db2.gz QTEODWPRRTXNGB-UHFFFAOYSA-N -1 0 351.406 4.149 20 30 FIEDRM CC(C)(CC(=O)[N-]S(=O)(=O)c1ccccc1Cl)c1ccccc1 ZINC000067785678 1100009635 /nfs/dbraw/zinc/00/96/35/1100009635.db2.gz OERUKCFJPHYKKB-UHFFFAOYSA-N -1 0 351.855 4.353 20 30 FIEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C/c1ccc(-n2cnc3ccccc32)cc1 ZINC000509700542 1100072469 /nfs/dbraw/zinc/07/24/69/1100072469.db2.gz YIBKEMOTHMPKAB-YRNVUSSQSA-N -1 0 366.380 4.161 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2cccc(OCCc3ccccc3)c2)cc1[O-] ZINC000506194651 1100545500 /nfs/dbraw/zinc/54/55/00/1100545500.db2.gz XDKMUGPWIZMWEG-UHFFFAOYSA-N -1 0 358.397 4.138 20 30 FIEDRM N#CC(C(=O)Nc1ccc(SC(F)F)cc1)=C([O-])c1ccc(Cl)o1 ZINC000126582555 1100619027 /nfs/dbraw/zinc/61/90/27/1100619027.db2.gz FYUNGHMGYIFYGW-SNVBAGLBSA-N -1 0 370.764 4.209 20 30 FIEDRM CO[C@@H](C)c1nc(=Nc2ccc(Oc3ccccc3C#N)c(F)c2)s[n-]1 ZINC000509548167 1100934624 /nfs/dbraw/zinc/93/46/24/1100934624.db2.gz FFGDLKRZQGYDME-NSHDSACASA-N -1 0 370.409 4.214 20 30 FIEDRM N#CC(=C([O-])c1ccc(-c2ccc(OC(F)F)cc2)s1)c1ccncn1 ZINC000546152837 1101735081 /nfs/dbraw/zinc/73/50/81/1101735081.db2.gz JPKSOLXQJSKKCP-CYBMUJFWSA-N -1 0 371.368 4.297 20 30 FIEDRM CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1cnn(Cc2ccccc2)c1 ZINC000760220268 1101831728 /nfs/dbraw/zinc/83/17/28/1101831728.db2.gz ZSSSWUUZCLHCEG-UHFFFAOYSA-N -1 0 368.824 4.119 20 30 FIEDRM C=CCOc1cccc(NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])c1 ZINC000439995367 1101962370 /nfs/dbraw/zinc/96/23/70/1101962370.db2.gz LBLUJNZUSGVDDW-CYBMUJFWSA-N -1 0 357.431 4.069 20 30 FIEDRM C[S@](=O)c1ccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cc1 ZINC000051533453 1102148924 /nfs/dbraw/zinc/14/89/24/1102148924.db2.gz PQVMHPRDGGQFFZ-PUAOIOHZSA-N -1 0 366.467 4.038 20 30 FIEDRM N#CC(=C([O-])c1c[nH]c(C(F)(F)F)c1)c1nc(-c2ccncc2)cs1 ZINC000429672061 1102301423 /nfs/dbraw/zinc/30/14/23/1102301423.db2.gz BYGBGHBIGYQYTF-LLVKDONJSA-N -1 0 362.336 4.042 20 30 FIEDRM CC(C)c1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)nn1-c1ccccc1 ZINC000121871520 1102466945 /nfs/dbraw/zinc/46/69/45/1102466945.db2.gz NAUPOLRTCSENIO-MRXNPFEDSA-N -1 0 369.428 4.362 20 30 FIEDRM Cc1cc(C)n(Cc2ccc(C([O-])=C(C#N)c3nc4ccccc4o3)cc2)n1 ZINC000061069110 1102606997 /nfs/dbraw/zinc/60/69/97/1102606997.db2.gz AVZDKTMQLJOHPW-SFHVURJKSA-N -1 0 370.412 4.180 20 30 FIEDRM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1c(C)nn(CC)c1C ZINC000473773968 1102721284 /nfs/dbraw/zinc/72/12/84/1102721284.db2.gz QEBKYIVJXDYLOS-UHFFFAOYSA-N -1 0 361.511 4.173 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cnn(-c3ccccc3Cl)c2C)n1 ZINC000112222380 1102819068 /nfs/dbraw/zinc/81/90/68/1102819068.db2.gz IYTAXLCWKWXHFJ-GFCCVEGCSA-N -1 0 356.838 4.089 20 30 FIEDRM CC(C)[C@H](SCc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000067599758 1102992832 /nfs/dbraw/zinc/99/28/32/1102992832.db2.gz NKEOEBXDZQDPRB-KRWDZBQOSA-N -1 0 363.504 4.290 20 30 FIEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cnc(-c2ccsc2)s1 ZINC000112483393 1104363089 /nfs/dbraw/zinc/36/30/89/1104363089.db2.gz OEZBRAWAAVSYRD-LBPRGKRZSA-N -1 0 364.455 4.248 20 30 FIEDRM N#CC(=C([O-])c1c[nH]nc1-c1ccc(Cl)s1)c1nc2ccccc2o1 ZINC000188720072 1104750956 /nfs/dbraw/zinc/75/09/56/1104750956.db2.gz ZZCNCJFKCIIAKM-SECBINFHSA-N -1 0 368.805 4.423 20 30 FIEDRM N#Cc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccsc2)cc1F ZINC000507885888 1105255983 /nfs/dbraw/zinc/25/59/83/1105255983.db2.gz GBTGDIQOQSVZIX-UHFFFAOYSA-N -1 0 374.418 4.352 20 30 FIEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(OC2CCCCC2)cc1 ZINC000523837240 1108598567 /nfs/dbraw/zinc/59/85/67/1108598567.db2.gz AWHJFFLAFJOYKU-UHFFFAOYSA-N -1 0 356.447 4.071 20 30 FIEDRM CCSc1cccnc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000453576545 1108638086 /nfs/dbraw/zinc/63/80/86/1108638086.db2.gz VRDMVCIRYYMKKY-LLVKDONJSA-N -1 0 351.353 4.097 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc(NC(=O)C(C)(C)C)nc2)n1 ZINC000453698933 1108690224 /nfs/dbraw/zinc/69/02/24/1108690224.db2.gz RWEJRVMDSAKVKM-ZDUSSCGKSA-N -1 0 370.478 4.136 20 30 FIEDRM Cc1cc(CN=c2[n-]nc(Cc3ccc4ccccc4c3)o2)ccc1C#N ZINC000446959732 1109399886 /nfs/dbraw/zinc/39/98/86/1109399886.db2.gz WCKCSPMPZUMWAU-UHFFFAOYSA-N -1 0 354.413 4.028 20 30 FIEDRM N#Cc1ccc(CN=c2[n-]nc(SCc3ccc(Cl)cc3)s2)cc1 ZINC000447959208 1109687903 /nfs/dbraw/zinc/68/79/03/1109687903.db2.gz NIANWYZXOHEHHY-UHFFFAOYSA-N -1 0 372.906 4.389 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc3cc(C)c(C)cc3o2)n1 ZINC000527101557 1109692555 /nfs/dbraw/zinc/69/25/55/1109692555.db2.gz AIRXLSPCBLNPOI-CYBMUJFWSA-N -1 0 368.414 4.173 20 30 FIEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cc2c(ccc3ccccc23)o1 ZINC000528918487 1110151455 /nfs/dbraw/zinc/15/14/55/1110151455.db2.gz IXAALGUDCFCAHR-GOSISDBHSA-N -1 0 360.413 4.357 20 30 FIEDRM N#CC(=C([O-])c1cc2c(ccc3ccccc23)o1)c1nnc2n1CCCCC2 ZINC000528928457 1110153529 /nfs/dbraw/zinc/15/35/29/1110153529.db2.gz OBFPIWBQBIKWFV-KRWDZBQOSA-N -1 0 370.412 4.394 20 30 FIEDRM N#Cc1ccc(CN=c2nc(Cc3ccccc3)[n-]s2)c(C(F)(F)F)c1 ZINC000461207139 1111109808 /nfs/dbraw/zinc/10/98/08/1111109808.db2.gz KXMLOQLEKSADAN-UHFFFAOYSA-N -1 0 374.391 4.053 20 30 FIEDRM CCC(CC)(CC(=O)NCc1ccc(-c2ccccc2C#N)cc1)C(=O)[O-] ZINC000539052280 1111401515 /nfs/dbraw/zinc/40/15/15/1111401515.db2.gz TZNPJEVCKKFMOT-UHFFFAOYSA-N -1 0 364.445 4.123 20 30 FIEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(Cl)ccc1Oc1ccccc1 ZINC000462084339 1111484606 /nfs/dbraw/zinc/48/46/06/1111484606.db2.gz NUUPBQVCHCQZQL-CQSZACIVSA-N -1 0 350.827 4.176 20 30 FIEDRM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(OC)cc1F ZINC000479114296 1111947596 /nfs/dbraw/zinc/94/75/96/1111947596.db2.gz JDVSNYPTZBFJNX-UHFFFAOYSA-N -1 0 363.454 4.487 20 30 FIEDRM CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000479524091 1112052408 /nfs/dbraw/zinc/05/24/08/1112052408.db2.gz RIEOBJSCCHJLPQ-UHFFFAOYSA-N -1 0 371.245 4.065 20 30 FIEDRM CSc1[n-]c(=O)c(C(=O)N2CCCCC[C@@H]2c2ccccc2)cc1C#N ZINC000479936614 1112204830 /nfs/dbraw/zinc/20/48/30/1112204830.db2.gz BQGGOWHNVFEUBU-QGZVFWFLSA-N -1 0 367.474 4.138 20 30 FIEDRM Cc1ccsc1-c1nc(=NC(=O)C[C@@H](CC#N)c2ccccc2)s[n-]1 ZINC000480940940 1112689423 /nfs/dbraw/zinc/68/94/23/1112689423.db2.gz XCICJWGDEFPILB-CQSZACIVSA-N -1 0 368.487 4.023 20 30 FIEDRM N#CC(=C([O-])c1cnc(-c2ccncc2)s1)c1nccc2ccccc21 ZINC000483197730 1113461998 /nfs/dbraw/zinc/46/19/98/1113461998.db2.gz PSVIQINSRFNREB-INIZCTEOSA-N -1 0 356.410 4.243 20 30 FIEDRM Cc1onc(-c2ccccn2)c1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000483191907 1113463982 /nfs/dbraw/zinc/46/39/82/1113463982.db2.gz FKECGRHKFZJLGT-MRXNPFEDSA-N -1 0 354.369 4.083 20 30 FIEDRM Cn1cc(C([O-])=C(C#N)c2nccc3ccccc32)c(-c2cccs2)n1 ZINC000483231425 1113472454 /nfs/dbraw/zinc/47/24/54/1113472454.db2.gz HEXYKXPEEKGCAQ-OAHLLOKOSA-N -1 0 358.426 4.187 20 30 FIEDRM N#Cc1cccnc1/C=C/c1cccc(OCc2ccccc2C(=O)[O-])c1 ZINC000486100760 1113502176 /nfs/dbraw/zinc/50/21/76/1113502176.db2.gz CSQMNAINXRABNX-ZHACJKMWSA-N -1 0 356.381 4.401 20 30 FIEDRM C=C[C@@H](CC)CC(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1 ZINC000907813467 1113580676 /nfs/dbraw/zinc/58/06/76/1113580676.db2.gz XMYNXDBXXGPPRI-GJZGRUSLSA-N -1 0 356.422 4.065 20 30 FIEDRM COc1cc(C)cnc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000488231973 1113882756 /nfs/dbraw/zinc/88/27/56/1113882756.db2.gz NCCAAKJNYQSLAS-LLVKDONJSA-N -1 0 357.822 4.152 20 30 FIEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2C#N)sc1C ZINC000589587951 1113965220 /nfs/dbraw/zinc/96/52/20/1113965220.db2.gz DNUBOCPTWPYLEI-UHFFFAOYSA-N -1 0 360.382 4.056 20 30 FIEDRM Cc1oc(C2CC2)nc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000572024752 1114593213 /nfs/dbraw/zinc/59/32/13/1114593213.db2.gz ZPWVFGYULXMREJ-NSHDSACASA-N -1 0 356.332 4.095 20 30 FIEDRM N#CC(=C([O-])c1sccc1OC(F)F)c1nc2ccccc2s1 ZINC000591862057 1115165666 /nfs/dbraw/zinc/16/56/66/1115165666.db2.gz LDJRDAHGTGFSRD-QMMMGPOBSA-N -1 0 350.371 4.449 20 30 FIEDRM CC(C)(C)OC(=O)c1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000592399454 1115223728 /nfs/dbraw/zinc/22/37/28/1115223728.db2.gz QHSCDCMOYGXXDM-HNNXBMFYSA-N -1 0 368.458 4.466 20 30 FIEDRM Cc1ccc(-c2cc(C([O-])=C(C#N)c3nc4cc(F)ccc4s3)n[nH]2)o1 ZINC000592974250 1115272754 /nfs/dbraw/zinc/27/27/54/1115272754.db2.gz QLUOGMHKAKGHPN-LLVKDONJSA-N -1 0 366.377 4.217 20 30 FIEDRM N#CC(=C([O-])c1cc2ccccc2[nH]c1=O)c1nc2cc(F)ccc2s1 ZINC000592974813 1115272895 /nfs/dbraw/zinc/27/28/95/1115272895.db2.gz ZXQNQSLNVBLDSW-CYBMUJFWSA-N -1 0 363.373 4.179 20 30 FIEDRM Cc1nnc(-c2ccc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)cc2)o1 ZINC000574863733 1115514583 /nfs/dbraw/zinc/51/45/83/1115514583.db2.gz GQOIQOOSXIRZQR-AWEZNQCLSA-N -1 0 366.446 4.289 20 30 FIEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000574979952 1115527523 /nfs/dbraw/zinc/52/75/23/1115527523.db2.gz SUXBXCMZTUDQMH-UHFFFAOYSA-N -1 0 371.336 4.282 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2cccc3ccccc32)cc1C ZINC000046929714 1115547458 /nfs/dbraw/zinc/54/74/58/1115547458.db2.gz XNFUWHXGCWNJPD-UHFFFAOYSA-N -1 0 353.443 4.345 20 30 FIEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)CCSc1ccc(Cl)cc1 ZINC000046928014 1115549194 /nfs/dbraw/zinc/54/91/94/1115549194.db2.gz VMXKIQNIIVAMIP-UHFFFAOYSA-N -1 0 369.895 4.476 20 30 FIEDRM O=C([O-])COc1cccc(C(=O)/C=C\c2c(Cl)oc3ccccc23)c1 ZINC000761199164 1115615174 /nfs/dbraw/zinc/61/51/74/1115615174.db2.gz DFZHHMUYJUGXTF-HJWRWDBZSA-N -1 0 356.761 4.446 20 30 FIEDRM C[C@@H]1CCc2sc([N-]C(=O)c3ocnc3C(F)F)c(C#N)c2[C@@H]1C ZINC000602344911 1115697976 /nfs/dbraw/zinc/69/79/76/1115697976.db2.gz XJODDDFHHXGHFG-HTQZYQBOSA-N -1 0 351.378 4.483 20 30 FIEDRM COc1ccc(CCCC(=O)[N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000061067178 1115768168 /nfs/dbraw/zinc/76/81/68/1115768168.db2.gz OOLGQELJNPJVMT-UHFFFAOYSA-N -1 0 367.854 4.017 20 30 FIEDRM CCN(C(=O)c1ccc2[n-]c(=S)oc2c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000172362826 1115936443 /nfs/dbraw/zinc/93/64/43/1115936443.db2.gz FTJWFFZIWPYXQA-LBPRGKRZSA-N -1 0 351.431 4.211 20 30 FIEDRM CCOc1c(F)cccc1C([O-])=C(C#N)c1nc2cc(F)ccc2s1 ZINC000608553075 1116115150 /nfs/dbraw/zinc/11/51/50/1116115150.db2.gz OWJMZEYCRYISPX-GFCCVEGCSA-N -1 0 358.369 4.463 20 30 FIEDRM COc1ccc(S(=O)(=O)[N-]C(=O)CCCCc2ccc(C)cc2)cc1 ZINC000064100102 1116141998 /nfs/dbraw/zinc/14/19/98/1116141998.db2.gz IEUZLMXOTPTOAH-UHFFFAOYSA-N -1 0 361.463 4.062 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1[O-] ZINC000442734900 1116297991 /nfs/dbraw/zinc/29/79/91/1116297991.db2.gz FIHMTHMCPORDEI-UHFFFAOYSA-N -1 0 369.833 4.217 20 30 FIEDRM Cc1[nH]c(-c2cccc(C)c2)nc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000540082867 1117862212 /nfs/dbraw/zinc/86/22/12/1117862212.db2.gz TXGILAYHICCKDU-OAHLLOKOSA-N -1 0 356.385 4.325 20 30 FIEDRM Cc1nc(C2CCCCC2)sc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000540364923 1118015906 /nfs/dbraw/zinc/01/59/06/1118015906.db2.gz DXALSSBAHXSLPS-OAHLLOKOSA-N -1 0 354.479 4.396 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2cccc(OCc3cccc(F)c3)c2)cc1[O-] ZINC000443350206 1118107252 /nfs/dbraw/zinc/10/72/52/1118107252.db2.gz WPMUEMTVDLGNGW-UHFFFAOYSA-N -1 0 362.360 4.234 20 30 FIEDRM CCC(CC)n1nc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cc1C ZINC000540685436 1118185884 /nfs/dbraw/zinc/18/58/84/1118185884.db2.gz XYCBAGKITHSZQQ-CQSZACIVSA-N -1 0 364.371 4.457 20 30 FIEDRM CC[C@H](C)n1ncc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1C ZINC000464412572 1118547354 /nfs/dbraw/zinc/54/73/54/1118547354.db2.gz STLXUERSUDAVBK-GXFFZTMASA-N -1 0 350.344 4.066 20 30 FIEDRM CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cc(F)c(F)c([O-])c2F)cc1 ZINC000541695198 1118609475 /nfs/dbraw/zinc/60/94/75/1118609475.db2.gz ATYRQEBZPMLAJR-AWEZNQCLSA-N -1 0 362.351 4.102 20 30 FIEDRM N#CCc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000029967016 1118957504 /nfs/dbraw/zinc/95/75/04/1118957504.db2.gz RAVVUKGGVNMBMX-UHFFFAOYSA-N -1 0 374.771 4.226 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc(C(C)C)cs2)cnn1Cc1ccccc1 ZINC000177777752 1119350947 /nfs/dbraw/zinc/35/09/47/1119350947.db2.gz YUJUJALHDNXYHA-MRXNPFEDSA-N -1 0 364.474 4.310 20 30 FIEDRM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000191568140 1119984465 /nfs/dbraw/zinc/98/44/65/1119984465.db2.gz MJZRJYLABAUYIR-UHFFFAOYSA-N -1 0 366.464 4.309 20 30 FIEDRM N#CC(=C([O-])c1coc(C2CC2)n1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000670116478 1120351856 /nfs/dbraw/zinc/35/18/56/1120351856.db2.gz YBFRZHPVNSXIDG-CQSZACIVSA-N -1 0 360.398 4.037 20 30 FIEDRM N#CC(=C([O-])c1ncsc1C(F)(F)F)c1nc2cc(F)ccc2s1 ZINC000670118712 1120367698 /nfs/dbraw/zinc/36/76/98/1120367698.db2.gz ALDYDZUOLROELM-ZETCQYMHSA-N -1 0 371.340 4.401 20 30 FIEDRM CCc1c(C([O-])=C(C#N)c2nc3ccccc3o2)cnn1CCC(C)C ZINC000495213369 1120543169 /nfs/dbraw/zinc/54/31/69/1120543169.db2.gz QUAMLROTQABMGZ-AWEZNQCLSA-N -1 0 350.422 4.123 20 30 FIEDRM O=C([O-])c1ccccc1N=NC=C1COc2ccc(Br)cc2C1 ZINC000915271100 1120904500 /nfs/dbraw/zinc/90/45/00/1120904500.db2.gz ZOTIGHGHAOEGBD-UHFFFAOYSA-N -1 0 373.206 4.021 20 30 FIEDRM CC(=Cc1ccc(-c2cccs2)cc1F)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000193609272 1120981854 /nfs/dbraw/zinc/98/18/54/1120981854.db2.gz OFFWMQCOOSJGFT-FLIBITNWSA-N -1 0 351.406 4.378 20 30 FIEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000238061271 1120988308 /nfs/dbraw/zinc/98/83/08/1120988308.db2.gz WKUJFRYEURZZNX-UHFFFAOYSA-N -1 0 363.866 4.247 20 30 FIEDRM CC(=NNc1ccc(C(=O)[O-])cc1)c1cc(Br)ccc1F ZINC000763099798 1121114875 /nfs/dbraw/zinc/11/48/75/1121114875.db2.gz FQCMNGSMSUAFJT-UHFFFAOYSA-N -1 0 351.175 4.123 20 30 FIEDRM Cc1cc(C)c2c(c1)C(=O)/C(=C/c1cccc(O[C@@H](C)C(=O)[O-])c1)CCO2 ZINC000763115624 1121134420 /nfs/dbraw/zinc/13/44/20/1121134420.db2.gz ASUYCQPSRJEDBA-VUVCFOEZSA-N -1 0 366.413 4.204 20 30 FIEDRM COc1ccc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)c2ccccc12 ZINC000915984342 1121364072 /nfs/dbraw/zinc/36/40/72/1121364072.db2.gz JPVHNWPGMGJBSF-LUAWRHEFSA-N -1 0 362.381 4.208 20 30 FIEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2ccc(Br)s2)cc1 ZINC000915988419 1121367865 /nfs/dbraw/zinc/36/78/65/1121367865.db2.gz WDQCZKDKTBOJOQ-FNORWQNLSA-N -1 0 351.221 4.034 20 30 FIEDRM O=C([O-])Cc1ccc(C(=O)/C=C\c2ccc(Br)cc2F)cc1 ZINC000915990823 1121369447 /nfs/dbraw/zinc/36/94/47/1121369447.db2.gz QZYDPBTYXQLBDB-VURMDHGXSA-N -1 0 363.182 4.111 20 30 FIEDRM O=C(/C=C/c1ccc2ccccc2c1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000916129964 1121419343 /nfs/dbraw/zinc/41/93/43/1121419343.db2.gz DJCMRVGTZSLYST-RMKNXTFCSA-N -1 0 373.452 4.274 20 30 FIEDRM CCCc1ccc(C(=O)/C=C\c2ccc(OCC(=O)[O-])c(OC)c2)cc1 ZINC000916133891 1121421493 /nfs/dbraw/zinc/42/14/93/1121421493.db2.gz RMWDIBZDDUCXAM-XFFZJAGNSA-N -1 0 354.402 4.007 20 30 FIEDRM CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1ccc2c(c1)OCCCO2 ZINC000916259872 1121454435 /nfs/dbraw/zinc/45/44/35/1121454435.db2.gz TWRPEHQFHGSNFY-UHFFFAOYSA-N -1 0 360.797 4.036 20 30 FIEDRM CC(CCc1cccc(C(F)(F)F)c1)N=Nc1ccc(C(=O)[O-])cn1 ZINC000763370496 1121492406 /nfs/dbraw/zinc/49/24/06/1121492406.db2.gz QRVVJCWNWKFQCW-UHFFFAOYSA-N -1 0 351.328 4.219 20 30 FIEDRM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1ccc(Cl)o1 ZINC000130458638 1121583434 /nfs/dbraw/zinc/58/34/34/1121583434.db2.gz WBOYCGGERUBFMV-SNVBAGLBSA-N -1 0 357.580 4.201 20 30 FIEDRM Cc1c(C([O-])=C(C#N)C(=O)NC2CCCCC2)sc2cccc(F)c12 ZINC000916893980 1121907547 /nfs/dbraw/zinc/90/75/47/1121907547.db2.gz OCISUEQTHRTISN-ZDUSSCGKSA-N -1 0 358.438 4.120 20 30 FIEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(C2CCCCC2)cc1 ZINC000916886302 1121910360 /nfs/dbraw/zinc/91/03/60/1121910360.db2.gz JVXOEFXAOSAHCQ-NRFANRHFSA-N -1 0 360.457 4.373 20 30 FIEDRM O=C([O-])COc1cccc(C(=O)/C=C\c2ccc(-c3ccccc3F)o2)c1 ZINC000917040734 1122012271 /nfs/dbraw/zinc/01/22/71/1122012271.db2.gz SIYKSPMMZPZQBO-NTMALXAHSA-N -1 0 366.344 4.445 20 30 FIEDRM O=C([O-])COc1cccc(C(=O)/C=C\c2cc(Cl)cc(Cl)c2)c1 ZINC000917516778 1122344475 /nfs/dbraw/zinc/34/44/75/1122344475.db2.gz FJXYWCUTGMIVJB-PLNGDYQASA-N -1 0 351.185 4.353 20 30 FIEDRM COc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1CC(=O)[O-] ZINC000917519242 1122345016 /nfs/dbraw/zinc/34/50/16/1122345016.db2.gz MHPCTSZJRYBSEI-CSKARUKUSA-N -1 0 362.381 4.478 20 30 FIEDRM Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=NNc1ccccc1C(=O)[O-] ZINC000917542669 1122347712 /nfs/dbraw/zinc/34/77/12/1122347712.db2.gz LEBBEIVHFBHESW-UHFFFAOYSA-N -1 0 368.824 4.287 20 30 FIEDRM Fc1cc(-c2cccs2)ccc1C=Nn1c(=S)[n-]nc1C(F)(F)F ZINC000917534453 1122351317 /nfs/dbraw/zinc/35/13/17/1122351317.db2.gz JCWKFMPVAMPVAU-UHFFFAOYSA-N -1 0 372.372 4.335 20 30 FIEDRM COCCOc1cc(C)ccc1N=Cc1cc(Br)ccc1O ZINC000917559698 1122353159 /nfs/dbraw/zinc/35/31/59/1122353159.db2.gz TYVVHPCXOMHZOB-UHFFFAOYSA-N -1 0 364.239 4.239 20 30 FIEDRM CCc1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)oc1CC ZINC000128967059 1122479881 /nfs/dbraw/zinc/47/98/81/1122479881.db2.gz BYGUEYUOQQPUHC-AWEZNQCLSA-N -1 0 351.431 4.413 20 30 FIEDRM Cc1c(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)c2ccccc2n1C ZINC000556346033 1122825824 /nfs/dbraw/zinc/82/58/24/1122825824.db2.gz DNNNSNWMIIRYGX-UHFFFAOYSA-N -1 0 367.474 4.089 20 30 FIEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1cccc(Br)c1)CC2 ZINC000920065616 1123325669 /nfs/dbraw/zinc/32/56/69/1123325669.db2.gz AUQBTRRZGPORCU-XFFZJAGNSA-N -1 0 361.191 4.261 20 30 FIEDRM CCN(CC)c1ccc(/C=C2\CCc3oc(C(=O)[O-])c(C)c3C2=O)cc1 ZINC000920066331 1123326166 /nfs/dbraw/zinc/32/61/66/1123326166.db2.gz YDJIABYYUAJOSL-NTCAYCPXSA-N -1 0 353.418 4.345 20 30 FIEDRM C=C[C@H](CC(=O)N(CCCC(=O)[O-])Cc1ccccc1)c1ccccc1 ZINC000262997814 1123351213 /nfs/dbraw/zinc/35/12/13/1123351213.db2.gz ULECSYMDHZNPQV-LJQANCHMSA-N -1 0 351.446 4.240 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCOc1cc(C)cc(C)c1 ZINC000920105705 1123351909 /nfs/dbraw/zinc/35/19/09/1123351909.db2.gz LAHSIKSQZYRJCD-LJQANCHMSA-N -1 0 374.440 4.454 20 30 FIEDRM CC(C)(C)c1ncc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)s1 ZINC000920323178 1123443570 /nfs/dbraw/zinc/44/35/70/1123443570.db2.gz FSHHDLOTPDRKSY-JTQLQIEISA-N -1 0 361.854 4.055 20 30 FIEDRM O=C([N-]CC#Cc1cccc(C(F)(F)F)c1)C(F)(F)c1ccc(F)cc1 ZINC000920845716 1123528569 /nfs/dbraw/zinc/52/85/69/1123528569.db2.gz SZKINRIXGOKKKA-UHFFFAOYSA-N -1 0 371.280 4.104 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cccc1[N+](=O)[O-] ZINC000609321773 1123536209 /nfs/dbraw/zinc/53/62/09/1123536209.db2.gz LFTBEVCCUFKVNY-GFCCVEGCSA-N -1 0 355.350 4.142 20 30 FIEDRM COc1cc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c(OC)cc1Cl ZINC000920945079 1123540466 /nfs/dbraw/zinc/54/04/66/1123540466.db2.gz PLOBMSYKCYFXEC-UHFFFAOYSA-N -1 0 371.176 4.375 20 30 FIEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000064697430 1123924827 /nfs/dbraw/zinc/92/48/27/1123924827.db2.gz FLROEWSZSSQBGN-QWHCGFSZSA-N -1 0 371.792 4.067 20 30 FIEDRM Cc1noc(C)c1C([O-])=C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000064714984 1123927636 /nfs/dbraw/zinc/92/76/36/1123927636.db2.gz IRIKEFGJMHGLEA-JTQLQIEISA-N -1 0 359.357 4.183 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccccc2OC[C@H]2CCCO2)n1 ZINC000080449698 1123965852 /nfs/dbraw/zinc/96/58/52/1123965852.db2.gz BYCVIGRDPMZKGX-GDBMZVCRSA-N -1 0 370.474 4.314 20 30 FIEDRM CCOc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1[N+](=O)[O-] ZINC000080456440 1123966319 /nfs/dbraw/zinc/96/63/19/1123966319.db2.gz GDYNVPLPZVFQRR-GFCCVEGCSA-N -1 0 359.407 4.063 20 30 FIEDRM CCOc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1[N+](=O)[O-] ZINC000080456444 1123966435 /nfs/dbraw/zinc/96/64/35/1123966435.db2.gz GDYNVPLPZVFQRR-LBPRGKRZSA-N -1 0 359.407 4.063 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(Cl)cc(Cl)c2)n1 ZINC000067895419 1123982923 /nfs/dbraw/zinc/98/29/23/1123982923.db2.gz NQNFOHZNIUVSGH-NSHDSACASA-N -1 0 369.229 4.117 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc3c(s2)CCCCC3)n1 ZINC000067896731 1123982943 /nfs/dbraw/zinc/98/29/43/1123982943.db2.gz QPVIQRQNZIZQHS-LBPRGKRZSA-N -1 0 374.487 4.140 20 30 FIEDRM N#CC(=C([O-])c1ccn(-c2ccc(Cl)cc2Cl)n1)c1ccccn1 ZINC000091438974 1125072994 /nfs/dbraw/zinc/07/29/94/1125072994.db2.gz CYROOYOMWXAGTN-LBPRGKRZSA-N -1 0 357.200 4.064 20 30 FIEDRM CCc1cccc(C)c1N=c1[n-]nc(SCc2ccc(C#N)cn2)s1 ZINC000618910717 1125317476 /nfs/dbraw/zinc/31/74/76/1125317476.db2.gz GGSRLGKWSWQYQC-UHFFFAOYSA-N -1 0 367.503 4.133 20 30 FIEDRM Cc1nc(-c2ccccc2)sc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000122209546 209358623 /nfs/dbraw/zinc/35/86/23/209358623.db2.gz XANHHGUYXQOIBO-HNNXBMFYSA-N -1 0 372.453 4.495 20 30 FIEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCc1nc(C2CCC(C)(C)CC2)no1 ZINC000568100118 567880692 /nfs/dbraw/zinc/88/06/92/567880692.db2.gz TVBVRPQNAXBYGH-UHFFFAOYSA-N -1 0 354.454 4.128 20 30 FIEDRM C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000601976316 567894008 /nfs/dbraw/zinc/89/40/08/567894008.db2.gz OVIQKGCSGWKVLX-SNVBAGLBSA-N -1 0 372.418 4.270 20 30 FIEDRM CSc1ccc(C([O-])=C(C#N)c2ccc3ccccc3n2)cc1[N+](=O)[O-] ZINC000603835796 568159408 /nfs/dbraw/zinc/15/94/08/568159408.db2.gz ZTPNBVONAYKFLN-AWEZNQCLSA-N -1 0 363.398 4.355 20 30 FIEDRM CSc1ccc(C([O-])=C(C#N)c2ccc3ccccc3n2)cc1[N+](=O)[O-] ZINC000603835797 568159436 /nfs/dbraw/zinc/15/94/36/568159436.db2.gz ZTPNBVONAYKFLN-CQSZACIVSA-N -1 0 363.398 4.355 20 30 FIEDRM N#CC(=C([O-])c1cnc(C2CC2)s1)c1nc(-c2ccncc2)cs1 ZINC000604005405 568195807 /nfs/dbraw/zinc/19/58/07/568195807.db2.gz CHEIPHZIDZAMNL-GFCCVEGCSA-N -1 0 352.444 4.029 20 30 FIEDRM CCCCc1ccc(C([O-])=C(C#N)c2nc(C(=O)OCC)cs2)cc1 ZINC000604433389 568286743 /nfs/dbraw/zinc/28/67/43/568286743.db2.gz QHIXAWOZQOGQMD-OAHLLOKOSA-N -1 0 356.447 4.152 20 30 FIEDRM CC(C)(C)OC(=O)N[C@](C)(C(=O)[O-])c1ccc(-c2ccc(C#N)s2)cc1 ZINC000863973071 939245642 /nfs/dbraw/zinc/24/56/42/939245642.db2.gz BXUSAXUYABZUIX-IBGZPJMESA-N -1 0 372.446 4.111 20 30 FIEDRM Cc1cccc2[nH]c([C@@H](C#N)C(=O)c3cc(C4CC4)n(C(C)(C)C)n3)nc21 ZINC000605362647 1079767444 /nfs/dbraw/zinc/76/74/44/1079767444.db2.gz OCPBKMOOJOAQFT-AWEZNQCLSA-N -1 0 361.449 4.190 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(OCC(F)(F)F)o2)s1 ZINC000654991749 1079824592 /nfs/dbraw/zinc/82/45/92/1079824592.db2.gz FDJXRXONCDXMIL-VIFPVBQESA-N -1 0 372.368 4.465 20 30 FIEDRM C#C[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1[O-])c1ccc(Cl)cc1 ZINC001625821207 1080304687 /nfs/dbraw/zinc/30/46/87/1080304687.db2.gz ILCDBWAMJABLDT-CQSZACIVSA-N -1 0 354.620 4.457 20 30 FIEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C\C1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000608846062 1081084717 /nfs/dbraw/zinc/08/47/17/1081084717.db2.gz UGBRHVYKYAQYOG-IWQZZHSRSA-N -1 0 373.195 4.447 20 30 FIEDRM C=CCOc1ccc(C([O-])=C(C#N)C(=O)c2c(C)[nH]c3ccccc32)cc1 ZINC000121055326 1081301739 /nfs/dbraw/zinc/30/17/39/1081301739.db2.gz RGEARJIHWXQCNZ-SFHVURJKSA-N -1 0 358.397 4.247 20 30 FIEDRM C[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000076765817 1081383270 /nfs/dbraw/zinc/38/32/70/1081383270.db2.gz DNGSNPFAOPGMKO-NXEZZACHSA-N -1 0 350.267 4.465 20 30 FIEDRM C[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000076765809 1081383308 /nfs/dbraw/zinc/38/33/08/1081383308.db2.gz DNGSNPFAOPGMKO-ZJUUUORDSA-N -1 0 350.267 4.465 20 30 FIEDRM O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(Br)cc1F ZINC000255134375 1081385548 /nfs/dbraw/zinc/38/55/48/1081385548.db2.gz TXMPGHCIVQSMMS-KXFIGUGUSA-N -1 0 366.142 4.098 20 30 FIEDRM O=C1c2cc(Cl)cc(Cl)c2OC/C1=C\c1ccc([N+](=O)[O-])c([O-])c1 ZINC000748145829 1081569495 /nfs/dbraw/zinc/56/94/95/1081569495.db2.gz ADPBLMDPYNOWBC-YCRREMRBSA-N -1 0 366.156 4.266 20 30 FIEDRM COC(=O)COc1cccc(N=Cc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000255180440 1081754292 /nfs/dbraw/zinc/75/42/92/1081754292.db2.gz SQFHNFDEYKLXRI-UHFFFAOYSA-N -1 0 354.189 4.001 20 30 FIEDRM C=CCN(C(=O)Nc1cccc(C)c1C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000683920662 1081916063 /nfs/dbraw/zinc/91/60/63/1081916063.db2.gz GCWVIJXGVHEUBH-IBGZPJMESA-N -1 0 352.434 4.019 20 30 FIEDRM C=CCOc1ccc(/C=C\c2ncc(C(=O)[O-])c(C(C)C)n2)cc1OC ZINC000255606729 1082020917 /nfs/dbraw/zinc/02/09/17/1082020917.db2.gz AETZHUMYEVSMMP-CLFYSBASSA-N -1 0 354.406 4.042 20 30 FIEDRM CCSc1nccnc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000430518781 1082156188 /nfs/dbraw/zinc/15/61/88/1082156188.db2.gz GKCXSLBTADPCOC-SNVBAGLBSA-N -1 0 374.878 4.342 20 30 FIEDRM C[C@@H](Nc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccc1 ZINC000581153143 1082342733 /nfs/dbraw/zinc/34/27/33/1082342733.db2.gz KNDLUIZIAMJFNV-CQSZACIVSA-N -1 0 367.430 4.125 20 30 FIEDRM COc1ccc2[nH]cc(C(=O)/C=C\c3cc(Cl)c(O)c(OC)c3)c2c1 ZINC000255298495 1082550269 /nfs/dbraw/zinc/55/02/69/1082550269.db2.gz AIQUVYCHBUHDNA-UTCJRWHESA-N -1 0 357.793 4.440 20 30 FIEDRM O=C(Nc1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1)c1cccs1 ZINC000255308802 1082608196 /nfs/dbraw/zinc/60/81/96/1082608196.db2.gz HMRGNHHBWASPIR-UHFFFAOYSA-N -1 0 367.386 4.365 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cnn(CCC(F)(F)F)c2)s1 ZINC000430607805 1082621017 /nfs/dbraw/zinc/62/10/17/1082621017.db2.gz ZRBDMVMQIDMIEA-NSHDSACASA-N -1 0 370.400 4.080 20 30 FIEDRM CO[C@@H](C)c1nc(C)c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)s1 ZINC000430611837 1082660163 /nfs/dbraw/zinc/66/01/63/1082660163.db2.gz PTDWTHHPWPGVFC-QWRGUYRKSA-N -1 0 363.508 4.403 20 30 FIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3noc4c3CCCC4)n2)cc1 ZINC000051154805 1082782458 /nfs/dbraw/zinc/78/24/58/1082782458.db2.gz OJZGQFCTJCPGGC-OAHLLOKOSA-N -1 0 363.442 4.475 20 30 FIEDRM CN(C)c1nc2sc(C([O-])=C(C#N)c3nc(C4CC4)cs3)cc2s1 ZINC000647379025 1083369790 /nfs/dbraw/zinc/36/97/90/1083369790.db2.gz WFEIDRCDBPDAPV-VIFPVBQESA-N -1 0 374.516 4.248 20 30 FIEDRM Cc1ccc(-c2nc(C([O-])=C(C#N)c3nc(C4CC4)cs3)cs2)n1C ZINC000647378659 1083369836 /nfs/dbraw/zinc/36/98/36/1083369836.db2.gz OSANCYQZMHWNFA-GFCCVEGCSA-N -1 0 368.487 4.281 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c2cnn(C(C)C)c2n1 ZINC000647378807 1083369850 /nfs/dbraw/zinc/36/98/50/1083369850.db2.gz BSDUPWOFQFPGHB-CQSZACIVSA-N -1 0 365.462 4.145 20 30 FIEDRM Cc1nc(C(F)(F)F)ccc1C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000647377580 1083373938 /nfs/dbraw/zinc/37/39/38/1083373938.db2.gz WDXBNMFAJBCHQJ-NSHDSACASA-N -1 0 351.353 4.233 20 30 FIEDRM CSc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)ccn1 ZINC000181427209 1083911128 /nfs/dbraw/zinc/91/11/28/1083911128.db2.gz GWDLBBMNMOITOJ-LLVKDONJSA-N -1 0 358.373 4.038 20 30 FIEDRM Cc1nc2cc(C([O-])=C(C#N)c3nc4cc(F)ccc4s3)ccc2o1 ZINC000684632124 1083934789 /nfs/dbraw/zinc/93/47/89/1083934789.db2.gz RTWPQHJJMKZDON-LBPRGKRZSA-N -1 0 351.362 4.375 20 30 FIEDRM Cc1cccc(OCCCCC(=O)[N-]S(=O)(=O)c2ccccc2F)c1 ZINC000066003738 1083945034 /nfs/dbraw/zinc/94/50/34/1083945034.db2.gz LUUMGXYNRIDCCN-UHFFFAOYSA-N -1 0 365.426 4.029 20 30 FIEDRM CCO[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000066004084 1083945359 /nfs/dbraw/zinc/94/53/59/1083945359.db2.gz QHYLLDLKONGULX-QGZVFWFLSA-N -1 0 353.484 4.195 20 30 FIEDRM N#C[C@H](C(=O)c1ccc2c(c1)CCCCC2=O)c1cnc2ccccc2n1 ZINC000685797263 1084005714 /nfs/dbraw/zinc/00/57/14/1084005714.db2.gz SCIOOSURXYVEJA-KRWDZBQOSA-N -1 0 355.397 4.029 20 30 FIEDRM CCCc1sc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1CC ZINC000060851470 1084080378 /nfs/dbraw/zinc/08/03/78/1084080378.db2.gz FQTLJAGDMSRUSJ-AWEZNQCLSA-N -1 0 356.495 4.071 20 30 FIEDRM CCOc1c(Cl)cc(/C=C\C(=O)c2ccc([O-])c(F)c2)cc1OC ZINC000728438233 1084143526 /nfs/dbraw/zinc/14/35/26/1084143526.db2.gz CHGMJWUJMHPZHU-XQRVVYSFSA-N -1 0 350.773 4.488 20 30 FIEDRM O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1cc(Br)ccc1F ZINC000255449763 1084230237 /nfs/dbraw/zinc/23/02/37/1084230237.db2.gz UMMZBDGGXZUOBE-KXFIGUGUSA-N -1 0 366.142 4.098 20 30 FIEDRM CCn1nc(C)c(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)c1C ZINC000589019613 1084238354 /nfs/dbraw/zinc/23/83/54/1084238354.db2.gz ZOVXISYYQLEANB-GFCCVEGCSA-N -1 0 358.854 4.273 20 30 FIEDRM CC(C)Oc1ccc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)cc1C#N ZINC000262993167 1084267714 /nfs/dbraw/zinc/26/77/14/1084267714.db2.gz DSQNGEHTZFDYSE-UHFFFAOYSA-N -1 0 367.405 4.007 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2cc(Cl)nc(N3CCCC3)c2)n1 ZINC000177774599 1084315883 /nfs/dbraw/zinc/31/58/83/1084315883.db2.gz YNUBDCMRYPHAJI-ZDUSSCGKSA-N -1 0 374.897 4.405 20 30 FIEDRM O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1cc(Br)ccc1F ZINC000177907964 1084446606 /nfs/dbraw/zinc/44/66/06/1084446606.db2.gz SOYDGJVUWSMTKU-ORCRQEGFSA-N -1 0 366.142 4.098 20 30 FIEDRM N#CC(=C([O-])c1cnc(-c2cccnc2)s1)c1nccc2ccccc21 ZINC000582234479 1084784866 /nfs/dbraw/zinc/78/48/66/1084784866.db2.gz TXYHVZFEFWRYMC-INIZCTEOSA-N -1 0 356.410 4.243 20 30 FIEDRM N#C[C@@H](C(=O)c1ccc2c(c1)CCO2)c1nc2cc(Cl)ccc2s1 ZINC000120036062 1084827909 /nfs/dbraw/zinc/82/79/09/1084827909.db2.gz LZMPOGSOVFEXLH-ZDUSSCGKSA-N -1 0 354.818 4.375 20 30 FIEDRM Cc1c2ccc3ccccc3c2oc1C([O-])=C(C#N)C(=O)NC1CCCC1 ZINC000051651239 1084959759 /nfs/dbraw/zinc/95/97/59/1084959759.db2.gz QCBOUCYAANADMA-SFHVURJKSA-N -1 0 360.413 4.276 20 30 FIEDRM C[S@@](=O)c1cccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)c1 ZINC000613760273 1085247528 /nfs/dbraw/zinc/24/75/28/1085247528.db2.gz OTBBSTPOPKQJIC-IVCQMTBJSA-N -1 0 366.467 4.038 20 30 FIEDRM CO[C@H](C)C(=O)Nc1cccc(N=Cc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000255518852 1085361231 /nfs/dbraw/zinc/36/12/31/1085361231.db2.gz KBCCWLKBSHKJEJ-SNVBAGLBSA-N -1 0 367.232 4.423 20 30 FIEDRM Cc1cccc(S(=O)(=O)[N-]C(=O)CCCOc2ccccc2Cl)c1 ZINC000051896984 1085702859 /nfs/dbraw/zinc/70/28/59/1085702859.db2.gz BGFQVUNNRVNCID-UHFFFAOYSA-N -1 0 367.854 4.153 20 30 FIEDRM COc1ccc2c(c1)C(=O)/C(=C\c1cccc(C(=O)[O-])c1Cl)CCO2 ZINC000588559315 1085946224 /nfs/dbraw/zinc/94/62/24/1085946224.db2.gz DEJJNIJNSVSZNZ-XFXZXTDPSA-N -1 0 358.777 4.096 20 30 FIEDRM O=C([O-])c1cccc(C=CC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c1Cl ZINC000588559892 1085954554 /nfs/dbraw/zinc/95/45/54/1085954554.db2.gz RWZMXZSFWFJHOF-XQRVVYSFSA-N -1 0 371.698 4.054 20 30 FIEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1cc2sc3ccccc3c2s1 ZINC000178471181 1085978680 /nfs/dbraw/zinc/97/86/80/1085978680.db2.gz DIOCMYGIDHETND-LLVKDONJSA-N -1 0 365.439 4.055 20 30 FIEDRM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(F)cc1OC ZINC000663298511 1086382578 /nfs/dbraw/zinc/38/25/78/1086382578.db2.gz RWBBPWLJBYYAAY-UHFFFAOYSA-N -1 0 363.454 4.487 20 30 FIEDRM N#Cc1cc(S(=O)(=O)[N-]c2cnccc2-c2ccccc2)ccc1Cl ZINC000432358518 1086656357 /nfs/dbraw/zinc/65/63/57/1086656357.db2.gz PCPZCEUZLUDWTM-UHFFFAOYSA-N -1 0 369.833 4.074 20 30 FIEDRM CC(C)Oc1cncc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)c1 ZINC000093244808 1086683220 /nfs/dbraw/zinc/68/32/20/1086683220.db2.gz QNDWGAFSXZPLIY-KRWDZBQOSA-N -1 0 363.442 4.482 20 30 FIEDRM O=C([N-]S(=O)(=O)CC1CCCCC1)c1ccccc1Oc1cccnc1 ZINC000052367982 1086707749 /nfs/dbraw/zinc/70/77/49/1086707749.db2.gz FILPJUYRSXBQNK-UHFFFAOYSA-N -1 0 374.462 4.089 20 30 FIEDRM CC(C)(C)c1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cn1 ZINC000685143326 1086724511 /nfs/dbraw/zinc/72/45/11/1086724511.db2.gz YNHORTZUDCOMNC-GFCCVEGCSA-N -1 0 369.375 4.009 20 30 FIEDRM CC(C)(C)c1ncc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cn1 ZINC000685148220 1086748657 /nfs/dbraw/zinc/74/86/57/1086748657.db2.gz PYIWGNOCBNFPTP-GFCCVEGCSA-N -1 0 354.410 4.013 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cnc(-c3ccccc3)nc2)s1 ZINC000583670508 1086909151 /nfs/dbraw/zinc/90/91/51/1086909151.db2.gz PBAXIGLNZOJFSL-OAHLLOKOSA-N -1 0 362.458 4.388 20 30 FIEDRM CC(C)(C)c1[n-]n(Cc2cccc(C(F)(F)F)c2)c(=O)c1CCC#N ZINC000151838821 1087274116 /nfs/dbraw/zinc/27/41/16/1087274116.db2.gz PRYVYHGRRPLVSE-UHFFFAOYSA-N -1 0 351.372 4.409 20 30 FIEDRM COc1ccc2c(c1)CCC[C@@H]2CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000065763162 1087736220 /nfs/dbraw/zinc/73/62/20/1087736220.db2.gz IQGRTWMFYGJAKC-MRXNPFEDSA-N -1 0 373.474 4.159 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c(C)n1-c1nccs1 ZINC000647374647 1087794001 /nfs/dbraw/zinc/79/40/01/1087794001.db2.gz IHTGYQFJMUHPBN-CQSZACIVSA-N -1 0 368.487 4.375 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc(C3CC3)cs2)cnn1-c1ccc(F)cc1 ZINC000647375076 1087795052 /nfs/dbraw/zinc/79/50/52/1087795052.db2.gz RIQVGCMLCUXOID-OAHLLOKOSA-N -1 0 366.421 4.144 20 30 FIEDRM CON=Cc1ccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cc1 ZINC000255919779 1088036183 /nfs/dbraw/zinc/03/61/83/1088036183.db2.gz UKKARFGIIATCJF-KRWDZBQOSA-N -1 0 361.426 4.280 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cnn3cccc(Cl)c23)s1 ZINC000659114789 1088113669 /nfs/dbraw/zinc/11/36/69/1088113669.db2.gz GZYRTEMYOOYVTE-JTQLQIEISA-N -1 0 358.854 4.232 20 30 FIEDRM Cn1cc(Oc2ccccc2C([O-])=C(C#N)c2nc3ccccc3s2)cn1 ZINC000549086550 1088162783 /nfs/dbraw/zinc/16/27/83/1088162783.db2.gz UCSHGYSAJCBJED-HNNXBMFYSA-N -1 0 374.425 4.312 20 30 FIEDRM CCCSc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)c1nc(C)cs1 ZINC000505293170 1088327543 /nfs/dbraw/zinc/32/75/43/1088327543.db2.gz FJFKRMNHDZSPJV-ZDUSSCGKSA-N -1 0 361.448 4.352 20 30 FIEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ncc(C2CCCCC2)s1 ZINC000541074138 1088522179 /nfs/dbraw/zinc/52/21/79/1088522179.db2.gz LPDDKEKLYSVIAP-UHFFFAOYSA-N -1 0 361.492 4.172 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1[O-] ZINC000189972108 1088712639 /nfs/dbraw/zinc/71/26/39/1088712639.db2.gz KTXCLHPFVGXUTI-UHFFFAOYSA-N -1 0 354.369 4.059 20 30 FIEDRM CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000190026921 1088802855 /nfs/dbraw/zinc/80/28/55/1088802855.db2.gz ODXQBPAAGTYCGZ-UHFFFAOYSA-N -1 0 364.323 4.324 20 30 FIEDRM N#CC(=C([O-])c1ccccc1Oc1ccncc1)c1cnc2ccccc2n1 ZINC000549190063 1089177296 /nfs/dbraw/zinc/17/72/96/1089177296.db2.gz JJZIYQFQUJDSSO-KRWDZBQOSA-N -1 0 366.380 4.307 20 30 FIEDRM CC(C)(c1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1)C(F)(F)F ZINC000435504217 1089722921 /nfs/dbraw/zinc/72/29/21/1089722921.db2.gz YZBCUWBAHBCICW-UHFFFAOYSA-N -1 0 374.409 4.260 20 30 FIEDRM CC(=O)c1ncc(C(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@@H](C)CC3)s1 ZINC000415742119 1089885527 /nfs/dbraw/zinc/88/55/27/1089885527.db2.gz ZYGAJEQZFDHNFE-IUCAKERBSA-N -1 0 359.476 4.217 20 30 FIEDRM CSc1ncc(C([O-])=C(C#N)c2nc3ccccc3o2)n1-c1ccccc1 ZINC000041542356 1090239779 /nfs/dbraw/zinc/23/97/79/1090239779.db2.gz LVNGTAFOMWRHFU-AWEZNQCLSA-N -1 0 374.425 4.225 20 30 FIEDRM CN(C)c1cccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000549410522 1090271622 /nfs/dbraw/zinc/27/16/22/1090271622.db2.gz FZQWHOXZKOTLON-GOSISDBHSA-N -1 0 372.453 4.238 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cn(-c3ccccc3)cn2)s1 ZINC000651352686 1090281427 /nfs/dbraw/zinc/28/14/27/1090281427.db2.gz FVLJOOZVNRTYQZ-AWEZNQCLSA-N -1 0 350.447 4.116 20 30 FIEDRM CCOc1ccc([N+](=O)[O-])c(C([O-])=C(C#N)c2nc3ccccc3s2)c1 ZINC000549422188 1090315020 /nfs/dbraw/zinc/31/50/20/1090315020.db2.gz YBTNLDYNZASIHD-ZDUSSCGKSA-N -1 0 367.386 4.093 20 30 FIEDRM N#C[C@H](c1ccc(Cl)cc1)N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000660024000 1090425422 /nfs/dbraw/zinc/42/54/22/1090425422.db2.gz CJHUMAXBQRYJFQ-LJQANCHMSA-N -1 0 354.837 4.205 20 30 FIEDRM N#Cc1ccc(Oc2cccc(NC(=O)NCCCCCC(=O)[O-])c2)cc1 ZINC000417756061 1090972810 /nfs/dbraw/zinc/97/28/10/1090972810.db2.gz ROBNVDZUAQKVFO-UHFFFAOYSA-N -1 0 367.405 4.117 20 30 FIEDRM C[C@@H](C(=O)[N-][C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)C(F)(F)F ZINC000511743879 1091602536 /nfs/dbraw/zinc/60/25/36/1091602536.db2.gz YFFVZXRMESUUCE-RCOVLWMOSA-N -1 0 365.220 4.206 20 30 FIEDRM C[C@@H](C(=O)[N-][C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)C(F)(F)F ZINC000511743877 1091602582 /nfs/dbraw/zinc/60/25/82/1091602582.db2.gz YFFVZXRMESUUCE-IMTBSYHQSA-N -1 0 365.220 4.206 20 30 FIEDRM COCc1nc(C([O-])=C(C#N)c2nc(C)cs2)c(-c2ccccc2)s1 ZINC000442029299 1092392340 /nfs/dbraw/zinc/39/23/40/1092392340.db2.gz LNWLFGIBNKSDHQ-CYBMUJFWSA-N -1 0 369.471 4.212 20 30 FIEDRM N#CC(=C([O-])c1ccncc1Oc1ccccc1)c1cnc2ccccc2n1 ZINC000442527345 1092670346 /nfs/dbraw/zinc/67/03/46/1092670346.db2.gz XJNKVOPXWDHGHB-KRWDZBQOSA-N -1 0 366.380 4.307 20 30 FIEDRM Cc1ccc(-c2ocnc2C([O-])=C(C#N)c2nc3ccccc3n2C)cc1 ZINC000442603009 1092693109 /nfs/dbraw/zinc/69/31/09/1092693109.db2.gz ULHYVPPCMMXBRD-HNNXBMFYSA-N -1 0 356.385 4.027 20 30 FIEDRM Cc1nc(CSc2ccccc2C([O-])=C(C#N)c2ccncn2)cs1 ZINC000544814803 1092736228 /nfs/dbraw/zinc/73/62/28/1092736228.db2.gz IZGNAIXHLARKJD-OAHLLOKOSA-N -1 0 366.471 4.024 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2ccc(OCc3ccccc3F)cc2)cc1[O-] ZINC000442940455 1092875226 /nfs/dbraw/zinc/87/52/26/1092875226.db2.gz BZZLSKGOCVPXFA-UHFFFAOYSA-N -1 0 362.360 4.234 20 30 FIEDRM CC(C)(C)n1cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cn1 ZINC000051534807 1093388578 /nfs/dbraw/zinc/38/85/78/1093388578.db2.gz STCZZVJTPYVZEX-OAHLLOKOSA-N -1 0 350.447 4.252 20 30 FIEDRM N#CC(=C([O-])c1cc2c(s1)CCC2)c1nc(-c2ccncc2)cs1 ZINC000114619634 1093659510 /nfs/dbraw/zinc/65/95/10/1093659510.db2.gz YAFLHOWAGTYZEW-ZDUSSCGKSA-N -1 0 351.456 4.245 20 30 FIEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474431230 1093777335 /nfs/dbraw/zinc/77/73/35/1093777335.db2.gz GVBWQNDLOPJJBN-QGZVFWFLSA-N -1 0 362.788 4.098 20 30 FIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cccc4c3OCO4)n2)cc1 ZINC000614385876 1093802477 /nfs/dbraw/zinc/80/24/77/1093802477.db2.gz NWDXDLVJGAXCLE-HNNXBMFYSA-N -1 0 362.410 4.337 20 30 FIEDRM COCc1ncc(C([O-])=C(C#N)c2nc(-c3ccc(C)cc3)cs2)s1 ZINC000513643394 1094259434 /nfs/dbraw/zinc/25/94/34/1094259434.db2.gz UEYNFIBJJXXODH-ZDUSSCGKSA-N -1 0 369.471 4.212 20 30 FIEDRM COCc1ncc(C([O-])=C(C#N)c2nc(-c3ccc(C)cc3)cs2)s1 ZINC000513643393 1094259594 /nfs/dbraw/zinc/25/95/94/1094259594.db2.gz UEYNFIBJJXXODH-CYBMUJFWSA-N -1 0 369.471 4.212 20 30 FIEDRM Cc1cccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c1[N+](=O)[O-] ZINC000041559751 1094632931 /nfs/dbraw/zinc/63/29/31/1094632931.db2.gz ZHKIMLKGCSYKHA-LBPRGKRZSA-N -1 0 370.315 4.138 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cnn(-c3cccc(Cl)c3)c2C)n1 ZINC000041515846 1094639144 /nfs/dbraw/zinc/63/91/44/1094639144.db2.gz DOCRXHLTWVVLRA-CQSZACIVSA-N -1 0 356.838 4.089 20 30 FIEDRM CC(C)c1cccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)n1 ZINC000474833465 1094732362 /nfs/dbraw/zinc/73/23/62/1094732362.db2.gz LYKULTXYVLCWNU-GFCCVEGCSA-N -1 0 354.360 4.440 20 30 FIEDRM Cc1nc(CC2CC2)oc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000474961258 1094953657 /nfs/dbraw/zinc/95/36/57/1094953657.db2.gz GDSOTZJVHJXUDP-LBPRGKRZSA-N -1 0 370.359 4.170 20 30 FIEDRM CC(C)S(=O)(=O)[N-]C(=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000079149681 1095311908 /nfs/dbraw/zinc/31/19/08/1095311908.db2.gz HGHWPAHMYUCUIH-UHFFFAOYSA-N -1 0 350.267 4.110 20 30 FIEDRM N#Cc1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)cc1O ZINC000190395036 1096366116 /nfs/dbraw/zinc/36/61/16/1096366116.db2.gz ORIFDSBYHVWDGX-UHFFFAOYSA-N -1 0 354.456 4.229 20 30 FIEDRM C[C@H](C(=O)[N-][C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)C(F)(F)F ZINC000436467579 1099035482 /nfs/dbraw/zinc/03/54/82/1099035482.db2.gz DUFAZBIEVVIJLI-ANLVUFKYSA-N -1 0 351.649 4.397 20 30 FIEDRM CC(C)c1nn(C)cc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000516270395 1099335667 /nfs/dbraw/zinc/33/56/67/1099335667.db2.gz WILLDZXCRYYBDR-NSHDSACASA-N -1 0 358.854 4.297 20 30 FIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cn(C)nc3C(C)C)n2)cc1 ZINC000516710849 1099727909 /nfs/dbraw/zinc/72/79/09/1099727909.db2.gz XEAOFXPGTNKAPX-OAHLLOKOSA-N -1 0 364.474 4.466 20 30 FIEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(-c4ccccc4)nc3C)nc1-2 ZINC000505997530 1099728483 /nfs/dbraw/zinc/72/84/83/1099728483.db2.gz NUGOCTDKKBIYJO-QGZVFWFLSA-N -1 0 367.412 4.127 20 30 FIEDRM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cc(-c4ccccc4)ns3)nc21 ZINC000437379195 1099874247 /nfs/dbraw/zinc/87/42/47/1099874247.db2.gz FVUSOPMCXOWGRV-CQSZACIVSA-N -1 0 358.426 4.485 20 30 FIEDRM Cc1cc(Oc2ccc(C#N)cc2)ccc1[N-]S(=O)(=O)c1ccco1 ZINC000437668548 1100082180 /nfs/dbraw/zinc/08/21/80/1100082180.db2.gz QOIBNSQGPPGSAV-UHFFFAOYSA-N -1 0 354.387 4.053 20 30 FIEDRM N#CC(=C([O-])c1ccc2ccccc2n1)c1nc(-c2ccncc2)cs1 ZINC000517891562 1100768570 /nfs/dbraw/zinc/76/85/70/1100768570.db2.gz RAWGRDPTRZHTLZ-HNNXBMFYSA-N -1 0 356.410 4.243 20 30 FIEDRM C[C@@H](Oc1cccc(C(=O)/C=C/c2cccc(OC(F)F)c2)c1)C(=O)[O-] ZINC000140208599 1101365536 /nfs/dbraw/zinc/36/55/36/1101365536.db2.gz USDNZRGEQSGNKV-IDVQTMNDSA-N -1 0 362.328 4.036 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(C#N)s3)n2)cc1 ZINC000429727968 1101542590 /nfs/dbraw/zinc/54/25/90/1101542590.db2.gz WJVNNNCZDYEJNJ-CQSZACIVSA-N -1 0 365.439 4.242 20 30 FIEDRM N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(C#N)c([O-])c3)cc2)cc1 ZINC000191058361 1101914607 /nfs/dbraw/zinc/91/46/07/1101914607.db2.gz NNSRKQFNHVLZRF-UHFFFAOYSA-N -1 0 355.353 4.180 20 30 FIEDRM Cc1csc(SCc2ccccc2C([O-])=C(C#N)c2ccncn2)n1 ZINC000760334739 1101919332 /nfs/dbraw/zinc/91/93/32/1101919332.db2.gz QVCHLNPLDKYHAE-HNNXBMFYSA-N -1 0 366.471 4.024 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCCOCc1ccccc1 ZINC000127632098 1102121868 /nfs/dbraw/zinc/12/18/68/1102121868.db2.gz PUIZBCFLACLHDN-IBGZPJMESA-N -1 0 374.440 4.365 20 30 FIEDRM N#CCc1ccc([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)cc1 ZINC000440283106 1102182002 /nfs/dbraw/zinc/18/20/02/1102182002.db2.gz NVSXIRRIUXOCJV-UHFFFAOYSA-N -1 0 356.834 4.360 20 30 FIEDRM O=C([O-])c1ccc(-c2ccc(C(=O)/C=C/c3cnn4ccccc34)cc2)o1 ZINC000729643876 1102855488 /nfs/dbraw/zinc/85/54/88/1102855488.db2.gz JLXFVTRGHDFLOZ-CMDGGOBGSA-N -1 0 358.353 4.189 20 30 FIEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/CCOc2ccc(Cl)cc2)c1[O-] ZINC000026302218 1103037268 /nfs/dbraw/zinc/03/72/68/1103037268.db2.gz WTLGWYLJMZGURB-GIJQJNRQSA-N -1 0 355.177 4.105 20 30 FIEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000461107509 1104084418 /nfs/dbraw/zinc/08/44/18/1104084418.db2.gz JTGZXAGCHHZVFW-UHFFFAOYSA-N -1 0 366.773 4.093 20 30 FIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cc(C(C)C)n(C)n3)n2)cc1 ZINC000473930606 1104411575 /nfs/dbraw/zinc/41/15/75/1104411575.db2.gz ZFLMUPZPSBEDFY-HNNXBMFYSA-N -1 0 364.474 4.466 20 30 FIEDRM C=C[C@H](CC(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-])c1ccccc1 ZINC000190667089 1104985393 /nfs/dbraw/zinc/98/53/93/1104985393.db2.gz ZIFPFJSMSSPBPM-IEBWSBKVSA-N -1 0 351.446 4.096 20 30 FIEDRM C=CCc1cc(CNc2ccc(C[C@H](CC)C(=O)[O-])cc2)cc(OC)c1O ZINC000417615376 1105016451 /nfs/dbraw/zinc/01/64/51/1105016451.db2.gz XGMIGVNVZSNDQZ-KRWDZBQOSA-N -1 0 369.461 4.395 20 30 FIEDRM CC(C)c1ccc(S(=O)(=O)[N-]c2cc(C#N)c3ccccc3n2)cc1 ZINC000508124763 1105333345 /nfs/dbraw/zinc/33/33/45/1105333345.db2.gz KBYJEPAMGHFMCG-UHFFFAOYSA-N -1 0 351.431 4.031 20 30 FIEDRM O=C([N-][C@@H](c1ccc(F)cc1)C(F)(F)F)C(F)(F)c1ccc(F)cc1 ZINC001271596175 1107160026 /nfs/dbraw/zinc/16/00/26/1107160026.db2.gz MUBTUJMWEZPZLD-ZDUSSCGKSA-N -1 0 365.248 4.476 20 30 FIEDRM N#C[C@H](C(=O)c1c[nH]nc1-c1ccsc1)c1ccc(C(F)(F)F)cn1 ZINC000444458468 1107924583 /nfs/dbraw/zinc/92/45/83/1107924583.db2.gz FYVFSAMRQKVPQT-NSHDSACASA-N -1 0 362.336 4.042 20 30 FIEDRM Cc1cc(CSc2n[n-]c(=NCc3ccccc3)s2)ccc1C#N ZINC000447306273 1109509973 /nfs/dbraw/zinc/50/99/73/1109509973.db2.gz SAHXPKMRWCERQJ-UHFFFAOYSA-N -1 0 352.488 4.045 20 30 FIEDRM N#Cc1ccc(Nc2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])c2)cc1 ZINC000538873785 1111329708 /nfs/dbraw/zinc/32/97/08/1111329708.db2.gz GJTXVZRMJARNEK-UHFFFAOYSA-N -1 0 374.356 4.168 20 30 FIEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(Cl)ccc1Oc1ccccc1 ZINC000462084338 1111484836 /nfs/dbraw/zinc/48/48/36/1111484836.db2.gz NUUPBQVCHCQZQL-AWEZNQCLSA-N -1 0 350.827 4.176 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)Nc2ccnc(-c3ccccc3)c2)cc1Cl ZINC000479245939 1111973333 /nfs/dbraw/zinc/97/33/33/1111973333.db2.gz OPKZKJCXXQRNOZ-UHFFFAOYSA-N -1 0 369.833 4.074 20 30 FIEDRM CC(C)c1ccc2occ(C([O-])=C(C#N)c3nnc4n3CCCCC4)c2c1 ZINC000554321790 1112295828 /nfs/dbraw/zinc/29/58/28/1112295828.db2.gz RNFFTLLTYXCFPJ-MRXNPFEDSA-N -1 0 362.433 4.364 20 30 FIEDRM CC[C@H](C)n1nc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cc1C ZINC000480940046 1112688248 /nfs/dbraw/zinc/68/82/48/1112688248.db2.gz JJIPVOXLELARMJ-WCQYABFASA-N -1 0 371.391 4.397 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)Cc1cccc(C2CC2)c1 ZINC000842280896 1112801982 /nfs/dbraw/zinc/80/19/82/1112801982.db2.gz GDMZXXNHQJAJRC-IBGZPJMESA-N -1 0 356.425 4.488 20 30 FIEDRM COc1ccccc1N=c1[n-]nc(SCc2ccc(F)cc2C#N)s1 ZINC000483179636 1113458340 /nfs/dbraw/zinc/45/83/40/1113458340.db2.gz OWCYCJXIVLUAHZ-UHFFFAOYSA-N -1 0 372.450 4.015 20 30 FIEDRM Cc1nc(-c2ccccc2)ncc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000483204602 1113462482 /nfs/dbraw/zinc/46/24/82/1113462482.db2.gz RYSRHMGCEOKTSB-LJQANCHMSA-N -1 0 364.408 4.490 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nccc3ccccc32)nn1-c1ccc(F)cc1 ZINC000483216408 1113466936 /nfs/dbraw/zinc/46/69/36/1113466936.db2.gz ABSTYOQDNSOZFP-IBGZPJMESA-N -1 0 370.387 4.358 20 30 FIEDRM Cn1cc(C([O-])=C(C#N)c2nccc3ccccc32)c(-c2ccccc2)n1 ZINC000483219567 1113466992 /nfs/dbraw/zinc/46/69/92/1113466992.db2.gz KYVJSSOHVQMBOD-GOSISDBHSA-N -1 0 352.397 4.125 20 30 FIEDRM Cn1cc(C([O-])=C(C#N)c2nccc3ccccc32)c(-c2ccccc2)n1 ZINC000483219568 1113467352 /nfs/dbraw/zinc/46/73/52/1113467352.db2.gz KYVJSSOHVQMBOD-SFHVURJKSA-N -1 0 352.397 4.125 20 30 FIEDRM N#Cc1cc([N-]S(=O)(=O)c2cccs2)ccc1Oc1ccccc1 ZINC000488358062 1113915137 /nfs/dbraw/zinc/91/51/37/1113915137.db2.gz WOTOQBNGQQISJI-UHFFFAOYSA-N -1 0 356.428 4.213 20 30 FIEDRM C=C1CCC(C(=O)N(Cc2ccoc2C(=O)[O-])[C@@H](C)c2ccccn2)CC1 ZINC000911331616 1113970354 /nfs/dbraw/zinc/97/03/54/1113970354.db2.gz VGXAACBUZNVWFR-HNNXBMFYSA-N -1 0 368.433 4.209 20 30 FIEDRM CCn1nc(C)cc1C([O-])=C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000587988832 1114507551 /nfs/dbraw/zinc/50/75/51/1114507551.db2.gz VSSWSFAYVSWJJS-HNNXBMFYSA-N -1 0 350.447 4.133 20 30 FIEDRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000572056805 1114596323 /nfs/dbraw/zinc/59/63/23/1114596323.db2.gz AQKCWKJHDAOXCU-RDJZCZTQSA-N -1 0 374.362 4.323 20 30 FIEDRM N#Cc1ccc(Oc2cccc(NC(=O)CC3(CC(=O)[O-])CCC3)c2)cc1 ZINC000591530941 1115098355 /nfs/dbraw/zinc/09/83/55/1115098355.db2.gz IHJXDZREFCMFID-UHFFFAOYSA-N -1 0 364.401 4.324 20 30 FIEDRM [O-]c1c(Br)cc(Br)cc1/C=N\C1CC(F)(F)C1 ZINC000760990055 1115251870 /nfs/dbraw/zinc/25/18/70/1115251870.db2.gz KJICVUBEDHTCPO-BNCCVWRVSA-N -1 0 369.003 4.134 20 30 FIEDRM CCSc1ccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cn1 ZINC000592973731 1115272671 /nfs/dbraw/zinc/27/26/71/1115272671.db2.gz JOVQMZZHOCFOAY-GFCCVEGCSA-N -1 0 357.435 4.432 20 30 FIEDRM N#CC(=C([O-])c1ccc(C(F)(F)F)cn1)c1nc2cc(F)ccc2s1 ZINC000592974181 1115272688 /nfs/dbraw/zinc/27/26/88/1115272688.db2.gz PGZGBHNCAOYHBZ-SNVBAGLBSA-N -1 0 365.311 4.339 20 30 FIEDRM COc1ccc(/C=C/C(=O)c2ccc(C)cc2[O-])c(Br)c1O ZINC000761012450 1115297443 /nfs/dbraw/zinc/29/74/43/1115297443.db2.gz RRWBNGPXCMGNRC-QPJJXVBHSA-N -1 0 363.207 4.073 20 30 FIEDRM O=C(Cc1cccc2ccccc21)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000046708812 1115499484 /nfs/dbraw/zinc/49/94/84/1115499484.db2.gz LLFLZZHTWUZNOX-UHFFFAOYSA-N -1 0 359.834 4.381 20 30 FIEDRM Cc1nnc(-c2ccc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)cc2)o1 ZINC000574863738 1115514720 /nfs/dbraw/zinc/51/47/20/1115514720.db2.gz GQOIQOOSXIRZQR-CQSZACIVSA-N -1 0 366.446 4.289 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccc3ccccc3c2)cc1C ZINC000046929917 1115547679 /nfs/dbraw/zinc/54/76/79/1115547679.db2.gz ZMJLBDSDUFLWEV-UHFFFAOYSA-N -1 0 353.443 4.345 20 30 FIEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000046927927 1115549347 /nfs/dbraw/zinc/54/93/47/1115549347.db2.gz RFYSJBWALZTFMD-UHFFFAOYSA-N -1 0 358.246 4.190 20 30 FIEDRM N#Cc1ccc(CN2CC[C@H](C(=O)[O-])c3ccccc32)c(C(F)(F)F)c1 ZINC000595877477 1115567624 /nfs/dbraw/zinc/56/76/24/1115567624.db2.gz IAIAOBYVXFBKKN-HNNXBMFYSA-N -1 0 360.335 4.156 20 30 FIEDRM COc1cc(/C=C2\CCc3ccc(Cl)cc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000761205978 1115624874 /nfs/dbraw/zinc/62/48/74/1115624874.db2.gz MDJDBVVLCQVRNQ-WUXMJOGZSA-N -1 0 359.765 4.175 20 30 FIEDRM CCCC[C@H](CC)CCCN(C)C(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000598559688 1115735709 /nfs/dbraw/zinc/73/57/09/1115735709.db2.gz YHHKWLIULSDJKB-AWEZNQCLSA-N -1 0 363.527 4.449 20 30 FIEDRM CCCCOc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000603986968 1115836899 /nfs/dbraw/zinc/83/68/99/1115836899.db2.gz BVRNNDOUODLJOV-UHFFFAOYSA-N -1 0 364.854 4.191 20 30 FIEDRM CCOc1c(F)cccc1C([O-])=C(C#N)c1nc2cc(F)ccc2s1 ZINC000608553076 1116115199 /nfs/dbraw/zinc/11/51/99/1116115199.db2.gz OWJMZEYCRYISPX-LBPRGKRZSA-N -1 0 358.369 4.463 20 30 FIEDRM Cc1nc(NC(=O)c2ccc(C#N)c([O-])c2)sc1Cc1ccc(C)cc1 ZINC000442729177 1116294446 /nfs/dbraw/zinc/29/44/46/1116294446.db2.gz MCFOWIUVIYQYRP-UHFFFAOYSA-N -1 0 363.442 4.180 20 30 FIEDRM N#CC(=C([O-])c1cnc(-c2ccccn2)s1)c1nc2ccccc2s1 ZINC000535384868 1116301735 /nfs/dbraw/zinc/30/17/35/1116301735.db2.gz CKWAVTCCFNSPRC-LLVKDONJSA-N -1 0 362.439 4.305 20 30 FIEDRM COc1nc(C)ccc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000539678148 1116365158 /nfs/dbraw/zinc/36/51/58/1116365158.db2.gz IXKPBSSGFCXWJP-GFCCVEGCSA-N -1 0 357.822 4.152 20 30 FIEDRM COc1ccc2nc(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)ccc2c1 ZINC000539869396 1116394219 /nfs/dbraw/zinc/39/42/19/1116394219.db2.gz PKEPQFDOSMDJFC-AWEZNQCLSA-N -1 0 371.318 4.147 20 30 FIEDRM Cc1[nH]c(-c2cccc(C)c2)nc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000540082861 1117862615 /nfs/dbraw/zinc/86/26/15/1117862615.db2.gz TXGILAYHICCKDU-HNNXBMFYSA-N -1 0 356.385 4.325 20 30 FIEDRM O=C(CC(F)(F)F)[N-][C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000540547766 1118120523 /nfs/dbraw/zinc/12/05/23/1118120523.db2.gz BMPJUKOOGPVSPF-VIFPVBQESA-N -1 0 353.184 4.377 20 30 FIEDRM Cc1ccc(-c2n[n-]c(=NC(=O)c3ccc(C4(C#N)CC4)cc3)s2)c(C)c1 ZINC000540728756 1118218482 /nfs/dbraw/zinc/21/84/82/1118218482.db2.gz NWBQQNUDBXVGOY-UHFFFAOYSA-N -1 0 374.469 4.051 20 30 FIEDRM CSc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000443402740 1118224624 /nfs/dbraw/zinc/22/46/24/1118224624.db2.gz IGAPGZMWYRHBNY-UHFFFAOYSA-N -1 0 372.393 4.100 20 30 FIEDRM Cc1cccc(N=c2[n-]nc(SCCCC3(C#N)CCOCC3)s2)c1 ZINC000540769443 1118235372 /nfs/dbraw/zinc/23/53/72/1118235372.db2.gz MBVDTTJQCMCGRX-UHFFFAOYSA-N -1 0 374.535 4.205 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)oc2c1C(=O)CCC2 ZINC000464411132 1118547358 /nfs/dbraw/zinc/54/73/58/1118547358.db2.gz KQVAAKBUFYDKON-NSHDSACASA-N -1 0 362.307 4.011 20 30 FIEDRM COc1ccc2occ(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)c2c1 ZINC000464414055 1118548397 /nfs/dbraw/zinc/54/83/97/1118548397.db2.gz ZNNOAKJDYTWYTQ-CYBMUJFWSA-N -1 0 360.291 4.345 20 30 FIEDRM CCC(CC)n1nc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cc1C ZINC000464416966 1118549421 /nfs/dbraw/zinc/54/94/21/1118549421.db2.gz LTKYDLHZVYXMNO-CQSZACIVSA-N -1 0 364.371 4.457 20 30 FIEDRM CCO[C@@H](C)c1ncc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)s1 ZINC000464429598 1118554919 /nfs/dbraw/zinc/55/49/19/1118554919.db2.gz WWEJYTOFNLDDQU-ONGXEEELSA-N -1 0 369.368 4.144 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cnn1-c1ccccc1 ZINC000464426725 1118561283 /nfs/dbraw/zinc/56/12/83/1118561283.db2.gz KGHIXYPPIQLARP-HNNXBMFYSA-N -1 0 370.334 4.085 20 30 FIEDRM CCCn1ncc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1C1CC1 ZINC000464464058 1118571314 /nfs/dbraw/zinc/57/13/14/1118571314.db2.gz CNUUORVHZTZUOT-CYBMUJFWSA-N -1 0 362.355 4.074 20 30 FIEDRM Cc1cc(Br)oc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464467999 1118572818 /nfs/dbraw/zinc/57/28/18/1118572818.db2.gz ORDPETVEENOQRJ-SECBINFHSA-N -1 0 373.128 4.254 20 30 FIEDRM CCCCn1ncc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1CC ZINC000464479667 1118584286 /nfs/dbraw/zinc/58/42/86/1118584286.db2.gz XCCGNVCAQJABHY-CYBMUJFWSA-N -1 0 364.371 4.149 20 30 FIEDRM N#CC(=C([O-])c1cnc(-c2ccncc2)s1)c1cc(C(F)(F)F)ccn1 ZINC000464479389 1118584355 /nfs/dbraw/zinc/58/43/55/1118584355.db2.gz WGCPVVIKIPSNEH-LBPRGKRZSA-N -1 0 374.347 4.109 20 30 FIEDRM CCCn1ccc2ccc(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)cc21 ZINC000460829938 1119064893 /nfs/dbraw/zinc/06/48/93/1119064893.db2.gz JSQXSUHFMUBXJG-UHFFFAOYSA-N -1 0 373.865 4.377 20 30 FIEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1ccc(F)c(C#N)c1Cl)CC2 ZINC000761479269 1119163043 /nfs/dbraw/zinc/16/30/43/1119163043.db2.gz YPPYYOYJYDBGCU-UXBLZVDNSA-N -1 0 359.740 4.163 20 30 FIEDRM COc1ccc(-c2cncc(C([O-])=C(C#N)c3nc4ccccc4o3)c2)cc1 ZINC000177137146 1119313694 /nfs/dbraw/zinc/31/36/94/1119313694.db2.gz MSKTXSRSUIXJMG-GOSISDBHSA-N -1 0 369.380 4.388 20 30 FIEDRM Cc1ncncc1C([O-])=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000613319789 1119472346 /nfs/dbraw/zinc/47/23/46/1119472346.db2.gz OXSXKMFHDIMTEG-ZDUSSCGKSA-N -1 0 354.822 4.052 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)c2c(n1)onc2C(C)C ZINC000194376760 1120264581 /nfs/dbraw/zinc/26/45/81/1120264581.db2.gz FEKLQRLUQHSIHI-CYBMUJFWSA-N -1 0 360.373 4.286 20 30 FIEDRM COc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)cc1Br ZINC000213230533 1120474541 /nfs/dbraw/zinc/47/45/41/1120474541.db2.gz UUHKWJDKFWKNEY-RQOWECAXSA-N -1 0 367.220 4.114 20 30 FIEDRM C=CCOc1ccc(/C=C2\CCc3oc(C(=O)[O-])c(C)c3C2=O)cc1OC ZINC000915106223 1120814847 /nfs/dbraw/zinc/81/48/47/1120814847.db2.gz OGJSQJKUMYQRER-GXDHUFHOSA-N -1 0 368.385 4.072 20 30 FIEDRM CCN(Cc1ccccc1)C(=O)C/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000193687791 1121012680 /nfs/dbraw/zinc/01/26/80/1121012680.db2.gz HEJFIPXALHIFCR-UFFVCSGVSA-N -1 0 365.260 4.167 20 30 FIEDRM [O-]c1c(Cl)cc(Cl)cc1/C=N/Cc1cnn(CC(F)(F)F)c1 ZINC000763098022 1121114791 /nfs/dbraw/zinc/11/47/91/1121114791.db2.gz TUHFHENBCPGUEZ-PTXOJBNSSA-N -1 0 352.143 4.077 20 30 FIEDRM COc1ccc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)c2ccccc12 ZINC000915984344 1121364488 /nfs/dbraw/zinc/36/44/88/1121364488.db2.gz JPVHNWPGMGJBSF-PKNBQFBNSA-N -1 0 362.381 4.208 20 30 FIEDRM CCCOc1ccc(C(=O)/C=C\c2ccc(OCCC(=O)[O-])cc2)cc1 ZINC000915984990 1121366266 /nfs/dbraw/zinc/36/62/66/1121366266.db2.gz DXEVLMIXHUCRBZ-XGICHPGQSA-N -1 0 354.402 4.225 20 30 FIEDRM Cc1cc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)cc(C)c1OC(F)F ZINC000915987711 1121367404 /nfs/dbraw/zinc/36/74/04/1121367404.db2.gz JJVJWUJGFQXJRM-YVMONPNESA-N -1 0 360.356 4.428 20 30 FIEDRM O=C([O-])Cc1ccc(C(=O)/C=C\c2cc(Br)cs2)cc1 ZINC000915990895 1121369126 /nfs/dbraw/zinc/36/91/26/1121369126.db2.gz RGCVXQZLVCDPDS-WAYWQWQTSA-N -1 0 351.221 4.034 20 30 FIEDRM Cc1cc(C)c(/C=C\C(=O)c2ccc([O-])c(CN3CCOCC3)c2)cc1C ZINC000916130095 1121419266 /nfs/dbraw/zinc/41/92/66/1121419266.db2.gz HVKDJEGKMNAZPQ-XQRVVYSFSA-N -1 0 365.473 4.046 20 30 FIEDRM COc1cc(/C=C\C(=O)c2ccc(CC(C)C)cc2)ccc1OCC(=O)[O-] ZINC000916154366 1121429423 /nfs/dbraw/zinc/42/94/23/1121429423.db2.gz DLTZVDLGWWAHGY-POHAHGRESA-N -1 0 368.429 4.253 20 30 FIEDRM O=C([O-])COc1cccc(C(=O)/C=C\c2cccc(Cl)c2Cl)c1 ZINC000916156947 1121430448 /nfs/dbraw/zinc/43/04/48/1121430448.db2.gz IWUBSKKIOQQQCT-FPLPWBNLSA-N -1 0 351.185 4.353 20 30 FIEDRM O=C([O-])c1cc([N-][NH+]=Cc2c(F)cccc2N2CCCC2)ccc1Cl ZINC000916259322 1121453466 /nfs/dbraw/zinc/45/34/66/1121453466.db2.gz FHLMHPXDSGNKAL-UHFFFAOYSA-N -1 0 361.804 4.224 20 30 FIEDRM Cc1nn(Cc2ccccc2)c(Cl)c1C=NNc1cccc(C(=O)[O-])c1 ZINC000916255427 1121453551 /nfs/dbraw/zinc/45/35/51/1121453551.db2.gz ZYASAGOXBJFIEJ-UHFFFAOYSA-N -1 0 368.824 4.037 20 30 FIEDRM Cc1ccc2c(c1C)NC(=O)C2=NNc1ncc(C(F)(F)F)cc1Cl ZINC000916286754 1121464069 /nfs/dbraw/zinc/46/40/69/1121464069.db2.gz SZBQEBJNEOTSOJ-UHFFFAOYSA-N -1 0 368.746 4.139 20 30 FIEDRM O=C([O-])c1ccc(N=NC2CCCOc3c(Cl)c(Cl)ccc32)nc1 ZINC000763368379 1121481131 /nfs/dbraw/zinc/48/11/31/1121481131.db2.gz MMXOFGZIPGDGBF-UHFFFAOYSA-N -1 0 366.204 4.075 20 30 FIEDRM CCc1cccc2c(/C=C\C(=O)c3ccc(OC)c(CC(=O)[O-])c3)c[nH]c21 ZINC000916547025 1121539813 /nfs/dbraw/zinc/53/98/13/1121539813.db2.gz WOPPNJZAXPTSLT-CLFYSBASSA-N -1 0 363.413 4.262 20 30 FIEDRM C=CCn1cc2ccc(NC(=O)c3c([O-])cc(Cl)cc3Cl)cc2n1 ZINC001649082607 1121647024 /nfs/dbraw/zinc/64/70/24/1121647024.db2.gz OCHQNPZIAHBUPN-UHFFFAOYSA-N -1 0 362.216 4.487 20 30 FIEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(Oc2ccc(F)cc2)cc1 ZINC000916877965 1121907199 /nfs/dbraw/zinc/90/71/99/1121907199.db2.gz ZQYZDQRPMZYPBL-IBGZPJMESA-N -1 0 368.408 4.247 20 30 FIEDRM N#CC(=C([O-])c1cccc2c1OCCO2)c1nc2cc(Cl)ccc2s1 ZINC000065652078 1121963242 /nfs/dbraw/zinc/96/32/42/1121963242.db2.gz KYKKMNYYPVIUEE-GFCCVEGCSA-N -1 0 370.817 4.211 20 30 FIEDRM CC(C)Oc1ccc(S(=O)(=O)[N-]C(=O)CCCc2ccccc2)cc1 ZINC000091127236 1122160611 /nfs/dbraw/zinc/16/06/11/1122160611.db2.gz QELUGONZUVBTPQ-UHFFFAOYSA-N -1 0 361.463 4.142 20 30 FIEDRM N#CC(=C([O-])c1cc(F)cc(Br)c1)c1nc2ccccc2o1 ZINC000054735555 1122195144 /nfs/dbraw/zinc/19/51/44/1122195144.db2.gz DKKSQPJXFURXOK-GFCCVEGCSA-N -1 0 359.154 4.219 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C)n1Cc1ccccn1 ZINC000054735374 1122195364 /nfs/dbraw/zinc/19/53/64/1122195364.db2.gz UVUVFUVJWPNGFA-GOSISDBHSA-N -1 0 370.412 4.180 20 30 FIEDRM CCc1nc(C)c(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)o1 ZINC000497445639 1122228884 /nfs/dbraw/zinc/22/88/84/1122228884.db2.gz UPASPAPETUAUMC-SNVBAGLBSA-N -1 0 373.384 4.437 20 30 FIEDRM O=C([O-])c1ccc(-c2ccc(C(=O)/C=C/c3ccc4c(c3)CCO4)cc2)o1 ZINC000917520182 1122345241 /nfs/dbraw/zinc/34/52/41/1122345241.db2.gz ZAKNDDLPJTVHKQ-LREOWRDNSA-N -1 0 360.365 4.476 20 30 FIEDRM COc1c(C)cc(/C=C/C(=O)c2ccc(OCCCC(=O)[O-])cc2)cc1C ZINC000920064883 1123325038 /nfs/dbraw/zinc/32/50/38/1123325038.db2.gz NCMJHYUMGHYQPK-IZZDOVSWSA-N -1 0 368.429 4.452 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)COc1cccc(Cl)c1 ZINC000920102594 1123350656 /nfs/dbraw/zinc/35/06/56/1123350656.db2.gz XDWUGEKWBORMCV-INIZCTEOSA-N -1 0 366.804 4.100 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1ccc(C(F)(F)F)cn1 ZINC000920106658 1123352695 /nfs/dbraw/zinc/35/26/95/1123352695.db2.gz VUVPRMASIWREIV-CYBMUJFWSA-N -1 0 371.318 4.096 20 30 FIEDRM COc1cc(OC)c(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1Cl ZINC000920942441 1123539843 /nfs/dbraw/zinc/53/98/43/1123539843.db2.gz CGTDBLXUVMQDJZ-UHFFFAOYSA-N -1 0 371.176 4.375 20 30 FIEDRM O=C([O-])c1cc(NN=Cc2ccc(OCC(F)(F)F)cc2)ccc1Cl ZINC000921254579 1123595793 /nfs/dbraw/zinc/59/57/93/1123595793.db2.gz YVYCUWJRGUUISC-UHFFFAOYSA-N -1 0 372.730 4.425 20 30 FIEDRM CC[C@H](C)[C@@H](C(=O)OCC([O-])=C(C#N)c1nc(C)cs1)c1ccccc1 ZINC000921254121 1123596103 /nfs/dbraw/zinc/59/61/03/1123596103.db2.gz YCBANPJLYJUEFA-QANKJYHBSA-N -1 0 370.474 4.001 20 30 FIEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000609387841 1123700039 /nfs/dbraw/zinc/70/00/39/1123700039.db2.gz KAUZOPMDUIBWMC-GOEBONIOSA-N -1 0 368.458 4.135 20 30 FIEDRM COc1cc(OC)c(C(=O)/C=C/c2cc(F)c([O-])c(F)c2)cc1Cl ZINC000175320326 1123819664 /nfs/dbraw/zinc/81/96/64/1123819664.db2.gz KWDMSKOEEOJHNE-ONEGZZNKSA-N -1 0 354.736 4.237 20 30 FIEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1F)C1(c2ccccc2)CCC1 ZINC000064697322 1123921425 /nfs/dbraw/zinc/92/14/25/1123921425.db2.gz JZTZIIALVMPKQA-UHFFFAOYSA-N -1 0 367.829 4.246 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccn(-c3ccc(F)cc3)n2)n1 ZINC000080452939 1123966167 /nfs/dbraw/zinc/96/61/67/1123966167.db2.gz SYMVDCODYOLYSG-AWEZNQCLSA-N -1 0 354.410 4.081 20 30 FIEDRM Cc1noc(C)c1C([O-])=C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000068349224 1124190122 /nfs/dbraw/zinc/19/01/22/1124190122.db2.gz IRIKEFGJMHGLEA-SNVBAGLBSA-N -1 0 359.357 4.183 20 30 FIEDRM C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000108251907 1124269790 /nfs/dbraw/zinc/26/97/90/1124269790.db2.gz GWNPUQJTFYCVPS-LBPRGKRZSA-N -1 0 366.895 4.393 20 30 FIEDRM C[C@@H](Cc1cccc(F)c1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000069282150 1124719704 /nfs/dbraw/zinc/71/97/04/1124719704.db2.gz YKPKIUFLDGXSMS-NSHDSACASA-N -1 0 355.818 4.003 20 30 FIEDRM C[C@H](Cc1cccc(F)c1)C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000069282968 1124719767 /nfs/dbraw/zinc/71/97/67/1124719767.db2.gz GZDCCSZJOAKNEG-LLVKDONJSA-N -1 0 355.818 4.003 20 30 FIEDRM N#CC(=C([O-])c1ccn(-c2ccc(Cl)cc2Cl)n1)c1ccccn1 ZINC000091438972 1125073153 /nfs/dbraw/zinc/07/31/53/1125073153.db2.gz CYROOYOMWXAGTN-GFCCVEGCSA-N -1 0 357.200 4.064 20 30 FIEDRM COc1ccc2nc(C([O-])=C(C#N)c3nc(C(C)C)cs3)ccc2c1 ZINC000091698079 1125088026 /nfs/dbraw/zinc/08/80/26/1125088026.db2.gz GBCVVGIMJHHZAV-AWEZNQCLSA-N -1 0 351.431 4.313 20 30 FIEDRM CCCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000070030931 1125243654 /nfs/dbraw/zinc/24/36/54/1125243654.db2.gz YAJXMJHSUJZHNZ-GHMZBOCLSA-N -1 0 350.267 4.183 20 30 FIEDRM Cc1cncc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)c1 ZINC000132120872 1125274201 /nfs/dbraw/zinc/27/42/01/1125274201.db2.gz QLHQRJMLPAZVED-GFCCVEGCSA-N -1 0 355.369 4.282 20 30 FIEDRM C[C@H](CC(=O)[O-])CC(=O)Nc1cc(C(F)(F)F)ccc1SCCC#N ZINC000601982297 567895702 /nfs/dbraw/zinc/89/57/02/567895702.db2.gz HQIYYKNMXLBTQX-JTQLQIEISA-N -1 0 374.384 4.151 20 30 FIEDRM CCc1ncc(C([O-])=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)s1 ZINC000065047508 568042079 /nfs/dbraw/zinc/04/20/79/568042079.db2.gz JAZMVOPLIOXMNX-CYBMUJFWSA-N -1 0 369.471 4.328 20 30 FIEDRM Cc1ccc(-c2cc(C([O-])=C(C#N)c3nc4ccccc4n3C)n[nH]2)c(C)c1 ZINC000188648148 568044480 /nfs/dbraw/zinc/04/44/80/568044480.db2.gz VKMQKVKDQJJLNB-INIZCTEOSA-N -1 0 369.428 4.070 20 30 FIEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](CC2CCC2)c2ccccc2)cc1C#N ZINC000482114436 568279622 /nfs/dbraw/zinc/27/96/22/568279622.db2.gz OPWXGYOQNFQCGY-KRWDZBQOSA-N -1 0 367.474 4.042 20 30 FIEDRM Cc1ccccc1-n1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cn1 ZINC000112222439 1125538538 /nfs/dbraw/zinc/53/85/38/1125538538.db2.gz WETDOIHCNKVPRQ-HNNXBMFYSA-N -1 0 370.334 4.085 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2C(=O)c2ccc(C)cc2)n1 ZINC000182841610 1125646834 /nfs/dbraw/zinc/64/68/34/1125646834.db2.gz WDBYWVTWVVTLQC-GOSISDBHSA-N -1 0 360.438 4.481 20 30 FIEDRM N#CC(=C([O-])c1ccc2[nH]c(=O)oc2c1)c1nc2cc(Cl)ccc2s1 ZINC000619753850 1125680688 /nfs/dbraw/zinc/68/06/88/1125680688.db2.gz YNFLAPLATHHABO-JTQLQIEISA-N -1 0 369.789 4.287 20 30 FIEDRM CC(C)(C)n1ccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)n1 ZINC000654970651 1079785631 /nfs/dbraw/zinc/78/56/31/1079785631.db2.gz BKBRQTCAEVTZMG-AWEZNQCLSA-N -1 0 350.447 4.252 20 30 FIEDRM CN(C)c1ncc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cc1Cl ZINC000654991825 1079823270 /nfs/dbraw/zinc/82/32/70/1079823270.db2.gz JXPCXPAOCBYJMW-NSHDSACASA-N -1 0 362.886 4.045 20 30 FIEDRM COc1sc(/C=C/C(=O)c2csc(C(=O)[O-])c2)cc1Br ZINC000160244598 1080015009 /nfs/dbraw/zinc/01/50/09/1080015009.db2.gz LZAIUZVALWRMPZ-NSCUHMNNSA-N -1 0 373.249 4.175 20 30 FIEDRM CCCOc1cccnc1C([O-])=C(C#N)c1nc2cc(F)ccc2s1 ZINC000683222754 1080029546 /nfs/dbraw/zinc/02/95/46/1080029546.db2.gz LWOXSGMTNCZYCY-LBPRGKRZSA-N -1 0 355.394 4.109 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)Cn1ccc2ccccc21 ZINC000120977477 1081128361 /nfs/dbraw/zinc/12/83/61/1081128361.db2.gz PMQQOKHZPWEUPI-QGZVFWFLSA-N -1 0 355.397 4.023 20 30 FIEDRM Cc1ccccc1SCC(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000048576411 1081381889 /nfs/dbraw/zinc/38/18/89/1081381889.db2.gz WJJIHPQNEDOFMC-UHFFFAOYSA-N -1 0 355.868 4.086 20 30 FIEDRM Cc1ccc([N+](=O)[O-])c(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)c1 ZINC000610387395 1081626899 /nfs/dbraw/zinc/62/68/99/1081626899.db2.gz LXJZELHAFVWALV-LBPRGKRZSA-N -1 0 355.350 4.142 20 30 FIEDRM Cn1ccc2c1cccc2C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000118983829 1081838522 /nfs/dbraw/zinc/83/85/22/1081838522.db2.gz DMHJSSOCIKDMKS-MRXNPFEDSA-N -1 0 358.426 4.187 20 30 FIEDRM CCOC(=O)[C@H]1CCCc2sc(Nc3ccccc3C(=O)[O-])c(C#N)c21 ZINC001210969124 1081889461 /nfs/dbraw/zinc/88/94/61/1081889461.db2.gz GVJLHUYVSWXARF-LBPRGKRZSA-N -1 0 370.430 4.045 20 30 FIEDRM Cc1onc(-c2cccc(Cl)c2Cl)c1C([O-])=C(C#N)c1ccncn1 ZINC000430518954 1082154495 /nfs/dbraw/zinc/15/44/95/1082154495.db2.gz HKADWQSWUFICIR-NSHDSACASA-N -1 0 373.199 4.237 20 30 FIEDRM CCCCc1nnc(NC(=O)c2cc(F)cc3nc(C)c(C)nc32)s1 ZINC000050914679 1082461378 /nfs/dbraw/zinc/46/13/78/1082461378.db2.gz MTJQEJYHTHZDKG-UHFFFAOYSA-N -1 0 359.430 4.216 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2c[nH]nc2-c2ccc(F)cc2)s1 ZINC000430592369 1082541709 /nfs/dbraw/zinc/54/17/09/1082541709.db2.gz GTNZFWGTPIAQNE-ZDUSSCGKSA-N -1 0 368.437 4.460 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cnn1-c1ccccc1 ZINC000430596426 1082557100 /nfs/dbraw/zinc/55/71/00/1082557100.db2.gz WZFAVCKCYNROEY-HNNXBMFYSA-N -1 0 364.474 4.425 20 30 FIEDRM CC(=O)c1cc(C([O-])=C(C#N)c2nc(-c3ccc(C)cc3)cs2)n(C)c1 ZINC000051151368 1082783845 /nfs/dbraw/zinc/78/38/45/1082783845.db2.gz SHGCXRRZOAQKNW-INIZCTEOSA-N -1 0 363.442 4.150 20 30 FIEDRM COc1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cc([N+](=O)[O-])c1C ZINC000430652048 1082851211 /nfs/dbraw/zinc/85/12/11/1082851211.db2.gz WWDJAOYWGJWTMK-GFCCVEGCSA-N -1 0 373.434 4.156 20 30 FIEDRM N#CCCC[C@H](NC(=O)CC1(CC(=O)[O-])CCCCC1)c1ccccc1 ZINC000431153244 1083355200 /nfs/dbraw/zinc/35/52/00/1083355200.db2.gz UTULAPSAZWERKU-SFHVURJKSA-N -1 0 356.466 4.353 20 30 FIEDRM COC(=O)NCc1ccc(N=Cc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000255669129 1083363907 /nfs/dbraw/zinc/36/39/07/1083363907.db2.gz VLRMNIHHIUBFCQ-UHFFFAOYSA-N -1 0 353.205 4.306 20 30 FIEDRM Cc1cc(F)ccc1-n1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)n1 ZINC000647378945 1083369937 /nfs/dbraw/zinc/36/99/37/1083369937.db2.gz OMEFIMDUTWGWPK-CQSZACIVSA-N -1 0 366.421 4.144 20 30 FIEDRM CCCCC[C@H](NC(=O)c1cc(C#N)c(SC)[n-]c1=O)c1ccccc1 ZINC000102791903 1083617294 /nfs/dbraw/zinc/61/72/94/1083617294.db2.gz ROENSAIIVHBOJO-KRWDZBQOSA-N -1 0 369.490 4.020 20 30 FIEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\C[C@@H](O)c2ccc(-c3ccccc3)cc2)c1 ZINC000588476358 1083754641 /nfs/dbraw/zinc/75/46/41/1083754641.db2.gz UUYSDZQYLZMKIK-BHMTVCBESA-N -1 0 362.385 4.120 20 30 FIEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)[C@](C)(CC(=O)[O-])C1CCCCC1 ZINC000236620799 1083846745 /nfs/dbraw/zinc/84/67/45/1083846745.db2.gz VWBBRICWKIQJKU-OAQYLSRUSA-N -1 0 372.465 4.345 20 30 FIEDRM COC(C)(C)c1nc(C)c(C([O-])=C(C#N)c2nc(C(C)C)cs2)s1 ZINC000685788480 1083949659 /nfs/dbraw/zinc/94/96/59/1083949659.db2.gz AIFHEWHEQFRSIX-LLVKDONJSA-N -1 0 363.508 4.403 20 30 FIEDRM O=C(/C=C/c1csc(-c2ccc3c(c2)OCO3)n1)c1ccc([O-])c(F)c1 ZINC000728439227 1084162329 /nfs/dbraw/zinc/16/23/29/1084162329.db2.gz YKMWGXHMYAQYIR-HWKANZROSA-N -1 0 369.373 4.280 20 30 FIEDRM O=C(/C=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc([O-])c(F)c1 ZINC000728438959 1084166345 /nfs/dbraw/zinc/16/63/45/1084166345.db2.gz RNKQPAPTVWLCPZ-VMPITWQZSA-N -1 0 370.380 4.326 20 30 FIEDRM CCn1nc(C)c(C([O-])=C(C#N)c2nc(-c3ccc(C)cc3)cs2)c1C ZINC000589019439 1084236105 /nfs/dbraw/zinc/23/61/05/1084236105.db2.gz RZGGHRIZHJHOCI-MRXNPFEDSA-N -1 0 364.474 4.442 20 30 FIEDRM N#CC(=C([O-])c1ccc(C#N)c(Cl)c1)c1nc2ccccc2n1C(F)F ZINC000548630252 1084364112 /nfs/dbraw/zinc/36/41/12/1084364112.db2.gz SAEPCSRERFIKQE-LBPRGKRZSA-N -1 0 370.746 4.447 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2ccc(O[C@@H](C)c3ccccc3)nc2)n1 ZINC000613286811 1084551420 /nfs/dbraw/zinc/55/14/20/1084551420.db2.gz UZTNJJXKXXBHTJ-YOEHRIQHSA-N -1 0 363.442 4.477 20 30 FIEDRM CC(C)c1noc2ncc(C([O-])=C(C#N)c3ccc4ccccc4n3)cc21 ZINC000613290813 1084552904 /nfs/dbraw/zinc/55/29/04/1084552904.db2.gz MRJCUFGDXIKVEZ-INIZCTEOSA-N -1 0 356.385 4.384 20 30 FIEDRM COc1ccc2c(c1)CCC[C@H]2CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000066503748 1084565355 /nfs/dbraw/zinc/56/53/55/1084565355.db2.gz IQGRTWMFYGJAKC-INIZCTEOSA-N -1 0 373.474 4.159 20 30 FIEDRM O=C([N-]S(=O)(=O)c1ccccc1C(F)(F)F)[C@@H]1C[C@H]1c1ccccc1 ZINC000066504379 1084567650 /nfs/dbraw/zinc/56/76/50/1084567650.db2.gz MDKFUFGKIVIFBU-QWHCGFSZSA-N -1 0 369.364 4.154 20 30 FIEDRM CCc1c(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)cnn1C ZINC000613319231 1084591571 /nfs/dbraw/zinc/59/15/71/1084591571.db2.gz ATTJXVUDSXLHFC-CYBMUJFWSA-N -1 0 370.865 4.249 20 30 FIEDRM N#CC(=C([O-])c1cccc(-c2noc(C3CC3)n2)c1)c1nc2ccccc2o1 ZINC000174014993 1084720456 /nfs/dbraw/zinc/72/04/56/1084720456.db2.gz QUBRWIWYFZOVFA-HNNXBMFYSA-N -1 0 370.368 4.245 20 30 FIEDRM COc1ccc(OC)c(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)c1 ZINC000120017888 1084808796 /nfs/dbraw/zinc/80/87/96/1084808796.db2.gz ZSBFXSOUXGMFAC-CYBMUJFWSA-N -1 0 372.833 4.457 20 30 FIEDRM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccccc1SC[C@@H](C)C#N ZINC000174717164 1084819189 /nfs/dbraw/zinc/81/91/89/1084819189.db2.gz XWMQXEHZDJRHIB-LBPRGKRZSA-N -1 0 364.467 4.187 20 30 FIEDRM CC(C)n1cc(C#N)c(=NC(=O)c2ccc(O[C@@H](C)c3ccccc3)cc2)[n-]1 ZINC000472556069 1084842411 /nfs/dbraw/zinc/84/24/11/1084842411.db2.gz ADNHLZXPVVICQX-INIZCTEOSA-N -1 0 374.444 4.150 20 30 FIEDRM N#CC(=C([O-])c1cccc(OCC(F)(F)F)c1)c1nc2ccccc2o1 ZINC000431414488 1085013537 /nfs/dbraw/zinc/01/35/37/1085013537.db2.gz MXXAZXWHMCPEPR-CYBMUJFWSA-N -1 0 360.291 4.259 20 30 FIEDRM CCOCc1nc(C)c(C([O-])=C(C#N)c2ccc3ccccc3n2)s1 ZINC000651584799 1085186555 /nfs/dbraw/zinc/18/65/55/1085186555.db2.gz AZNIMDICXFFYSU-AWEZNQCLSA-N -1 0 351.431 4.026 20 30 FIEDRM Cn1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)c(-c2ccccc2)n1 ZINC000091437990 1085985355 /nfs/dbraw/zinc/98/53/55/1085985355.db2.gz TVJAYTZDBJLPME-QGZVFWFLSA-N -1 0 352.397 4.125 20 30 FIEDRM C=C(C)COc1cc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)ccc1OC ZINC000140198964 1087577577 /nfs/dbraw/zinc/57/75/77/1087577577.db2.gz UBGVZPFVFRYZEV-GQCTYLIASA-N -1 0 358.415 4.306 20 30 FIEDRM C=CCN=c1[n-]nc(SCc2nc(-c3ccc(C)cc3)cs2)s1 ZINC000505443879 1088854514 /nfs/dbraw/zinc/85/45/14/1088854514.db2.gz NAZPPFKAYZMTAH-UHFFFAOYSA-N -1 0 360.533 4.282 20 30 FIEDRM O=C([O-])CCOc1cccc(/C=C/C(=O)c2ccccc2OC(F)F)c1 ZINC000728695252 1089232311 /nfs/dbraw/zinc/23/23/11/1089232311.db2.gz SWVHULMVLNXFQF-CMDGGOBGSA-N -1 0 362.328 4.038 20 30 FIEDRM CC(=Cc1ccc(Oc2cccc(F)c2)cc1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435337402 1089541584 /nfs/dbraw/zinc/54/15/84/1089541584.db2.gz VRPQJMSJRIJSCL-RAXLEYEMSA-N -1 0 361.376 4.442 20 30 FIEDRM COc1ccc(Oc2ccc(C=C(C)c3nc(C)c(C#N)c(=O)[n-]3)cc2)cc1 ZINC000435339515 1089546093 /nfs/dbraw/zinc/54/60/93/1089546093.db2.gz UVNICXZFOULBDR-OWBHPGMISA-N -1 0 373.412 4.311 20 30 FIEDRM Cc1cc(-c2ncccc2[N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cs1 ZINC000435732468 1089915488 /nfs/dbraw/zinc/91/54/88/1089915488.db2.gz PCGGGBFJFHXMAH-UHFFFAOYSA-N -1 0 369.471 4.099 20 30 FIEDRM CSc1c(F)cccc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000435771718 1089928453 /nfs/dbraw/zinc/92/84/53/1089928453.db2.gz MZMKEIAYXDZAJJ-NSHDSACASA-N -1 0 354.328 4.451 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cccc3c2OCCCO3)s1 ZINC000651352689 1090280747 /nfs/dbraw/zinc/28/07/47/1090280747.db2.gz FXLZOBNFCGKZPG-ZDUSSCGKSA-N -1 0 356.447 4.092 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)nn1[C@@H](C)C1CC1 ZINC000584757204 1090838528 /nfs/dbraw/zinc/83/85/28/1090838528.db2.gz WTPKBMKKSSRUNW-JSGCOSHPSA-N -1 0 356.495 4.407 20 30 FIEDRM N#Cc1csc(CN[C@@H](CCC(=O)[O-])c2ccc(Cl)c(Cl)c2)n1 ZINC000417566495 1090929366 /nfs/dbraw/zinc/92/93/66/1090929366.db2.gz IKBJIHBKRJHVEU-ZDUSSCGKSA-N -1 0 370.261 4.017 20 30 FIEDRM C[C@H](Cc1ccc(NCc2ccc(C#N)cc2C(F)(F)F)cc1)C(=O)[O-] ZINC000417613729 1090943076 /nfs/dbraw/zinc/94/30/76/1090943076.db2.gz UCFQUXHBHXQOIT-GFCCVEGCSA-N -1 0 362.351 4.452 20 30 FIEDRM C=CCOc1ccc(CNc2ccc(C(C)(C)C(=O)[O-])cc2)cc1OC ZINC000417624679 1090947677 /nfs/dbraw/zinc/94/76/77/1090947677.db2.gz KZVWIZISCGHSOW-UHFFFAOYSA-N -1 0 355.434 4.234 20 30 FIEDRM C=CCOc1ccc(C[NH2+]Cc2ccc(C(=O)[O-])c(C3CC3)n2)cc1Cl ZINC000417710733 1090966847 /nfs/dbraw/zinc/96/68/47/1090966847.db2.gz URZOOZVUALUQMU-UHFFFAOYSA-N -1 0 372.852 4.165 20 30 FIEDRM C#CCCCCCC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000780921658 1091005083 /nfs/dbraw/zinc/00/50/83/1091005083.db2.gz QDEIXTSQQYGUCG-UHFFFAOYSA-N -1 0 370.474 4.010 20 30 FIEDRM COCCSc1ccc([C@@H](C)/N=C\c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000728785697 1091076483 /nfs/dbraw/zinc/07/64/83/1091076483.db2.gz OJTLFDMHIIDJMD-CQLSMYGBSA-N -1 0 360.435 4.219 20 30 FIEDRM CO[C@H](C)c1nc(=Nc2ccc(Oc3ccccc3C#N)cc2)s[n-]1 ZINC000509725846 1091283969 /nfs/dbraw/zinc/28/39/69/1091283969.db2.gz GGZDJWHQTCMIER-GFCCVEGCSA-N -1 0 352.419 4.075 20 30 FIEDRM CC(C)(c1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1)C(F)(F)F ZINC000432063020 1091580316 /nfs/dbraw/zinc/58/03/16/1091580316.db2.gz AQBWYHWFVLCGHJ-UHFFFAOYSA-N -1 0 368.380 4.199 20 30 FIEDRM N#CC(=C([O-])c1noc2c1CCCCC2)c1nc2ccccc2n1C(F)F ZINC000187269240 1091860586 /nfs/dbraw/zinc/86/05/86/1091860586.db2.gz JGLJBHKJXGRELT-LBPRGKRZSA-N -1 0 370.359 4.178 20 30 FIEDRM COc1nc(C([O-])=C(C#N)c2nc3ccccc3s2)cc2ccccc21 ZINC000513051007 1093701997 /nfs/dbraw/zinc/70/19/97/1093701997.db2.gz IXIAMXOJHMCTEA-CQSZACIVSA-N -1 0 359.410 4.343 20 30 FIEDRM O=C([O-])COc1ccc(/C=C2\Cc3c(ccc(Cl)c3Cl)C2=O)cc1 ZINC000729150593 1093935199 /nfs/dbraw/zinc/93/51/99/1093935199.db2.gz LHAMFYJBKPMJAR-YRNVUSSQSA-N -1 0 363.196 4.279 20 30 FIEDRM Cc1ccc(C#N)cc1S(=O)(=O)Nc1cccc(-c2cccs2)c1 ZINC000513363983 1094080786 /nfs/dbraw/zinc/08/07/86/1094080786.db2.gz LQJJYBXJNRJGNT-UHFFFAOYSA-N -1 0 354.456 4.396 20 30 FIEDRM N#C[C@@H](C(=O)c1cc(-c2ccccc2Cl)[nH]n1)c1nc2ccccc2[nH]1 ZINC000041494347 1094619972 /nfs/dbraw/zinc/61/99/72/1094619972.db2.gz FZYKPWRSUKRPNR-LBPRGKRZSA-N -1 0 361.792 4.096 20 30 FIEDRM CCc1c(C([O-])=C(C#N)c2nc(C)cs2)cnn1-c1cccc(Cl)c1 ZINC000041515821 1094638414 /nfs/dbraw/zinc/63/84/14/1094638414.db2.gz XDOFYXBIBWHORX-CQSZACIVSA-N -1 0 370.865 4.343 20 30 FIEDRM CCc1c(C([O-])=C(C#N)c2nc(C)cs2)cnn1-c1cccc(Cl)c1 ZINC000041515822 1094639023 /nfs/dbraw/zinc/63/90/23/1094639023.db2.gz XDOFYXBIBWHORX-AWEZNQCLSA-N -1 0 370.865 4.343 20 30 FIEDRM N#CC(=C([O-])c1csc(Cc2ccccc2)n1)c1nc2ccccc2o1 ZINC000041539084 1094647435 /nfs/dbraw/zinc/64/74/35/1094647435.db2.gz JBOBRAWBLDTKCA-AWEZNQCLSA-N -1 0 359.410 4.365 20 30 FIEDRM CC(C)c1cccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)n1 ZINC000474833466 1094732927 /nfs/dbraw/zinc/73/29/27/1094732927.db2.gz LYKULTXYVLCWNU-LBPRGKRZSA-N -1 0 354.360 4.440 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)ccc1[N+](=O)[O-] ZINC000041558808 1094991602 /nfs/dbraw/zinc/99/16/02/1094991602.db2.gz RQWGHCAWOIAFQG-GFCCVEGCSA-N -1 0 370.315 4.138 20 30 FIEDRM Cc1nc(C2CCCC2)sc1C([O-])=C(C#N)c1nc2[nH]ccc(C)c-2n1 ZINC000330265894 1095442854 /nfs/dbraw/zinc/44/28/54/1095442854.db2.gz ZWRHXALJPZBFCZ-CYBMUJFWSA-N -1 0 365.462 4.179 20 30 FIEDRM Cc1ccc(-n2[n-]c(C(=O)N[C@H]3CCCCC34CCCC4)cc2=O)cc1 ZINC000330316897 1095492395 /nfs/dbraw/zinc/49/23/95/1095492395.db2.gz QEAJJAKSBDBLSJ-SFHVURJKSA-N -1 0 353.466 4.282 20 30 FIEDRM Cc1csc([C@@H](C#N)C(=O)c2cccc(C(=O)Nc3ccccc3)c2)n1 ZINC000513750177 1095676210 /nfs/dbraw/zinc/67/62/10/1095676210.db2.gz CDFKUTCENWMTBX-KRWDZBQOSA-N -1 0 361.426 4.194 20 30 FIEDRM Cc1cc(Br)oc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1 ZINC000522830525 1095749508 /nfs/dbraw/zinc/74/95/08/1095749508.db2.gz CGUMCZYSUAKFPJ-JTQLQIEISA-N -1 0 358.195 4.025 20 30 FIEDRM CCSc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000502808543 1095857564 /nfs/dbraw/zinc/85/75/64/1095857564.db2.gz GNGXVWJMTAPRDL-UHFFFAOYSA-N -1 0 352.868 4.124 20 30 FIEDRM CC(C)n1ccc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)n1 ZINC000503419140 1096392817 /nfs/dbraw/zinc/39/28/17/1096392817.db2.gz MNAGNPVMSZCGQO-LLVKDONJSA-N -1 0 372.400 4.356 20 30 FIEDRM C=CCCc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000504276520 1096729540 /nfs/dbraw/zinc/72/95/40/1096729540.db2.gz FVTAMHSUMCTRTN-UHFFFAOYSA-N -1 0 351.381 4.088 20 30 FIEDRM C=CCc1cc(/C=C/c2nc3c(cccc3C(=O)[O-])o2)cc(OC)c1O ZINC000436783270 1099315737 /nfs/dbraw/zinc/31/57/37/1099315737.db2.gz LNYGXMMGBYYYMV-CMDGGOBGSA-N -1 0 351.358 4.139 20 30 FIEDRM CCOc1cc(-c2noc(Cc3c(F)cccc3C#N)n2)cc(Cl)c1[O-] ZINC000436877060 1099388282 /nfs/dbraw/zinc/38/82/82/1099388282.db2.gz MSPOQTQEMFAZPF-UHFFFAOYSA-N -1 0 373.771 4.096 20 30 FIEDRM CC(=O)c1ccc([O-])c(NC(=O)c2sc3ccc(C#N)cc3c2C)c1 ZINC000436934414 1099447816 /nfs/dbraw/zinc/44/78/16/1099447816.db2.gz LOSKZWBKPQYAKL-UHFFFAOYSA-N -1 0 350.399 4.242 20 30 FIEDRM C=C(C)CN(CC)C(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S ZINC000078486164 1099571054 /nfs/dbraw/zinc/57/10/54/1099571054.db2.gz RHHDMDOOJUZWJV-UHFFFAOYSA-N -1 0 373.522 4.044 20 30 FIEDRM C=C(C)[C@H](CC(=O)Nc1cc(Cl)cc(Br)c1[O-])OCC ZINC000533782242 1099928550 /nfs/dbraw/zinc/92/85/50/1099928550.db2.gz GHPJFRRXWBWHMX-LBPRGKRZSA-N -1 0 362.651 4.118 20 30 FIEDRM CC(C)(CC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000067784966 1099992679 /nfs/dbraw/zinc/99/26/79/1099992679.db2.gz UZRVMGDMSODDDY-UHFFFAOYSA-N -1 0 351.855 4.353 20 30 FIEDRM CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccccc1Br ZINC000048519620 1100812960 /nfs/dbraw/zinc/81/29/60/1100812960.db2.gz OUYZHFFIZKIWBH-NSHDSACASA-N -1 0 362.289 4.311 20 30 FIEDRM N#CC(=C([O-])c1ccc(-c2ccc(OC(F)F)cc2)s1)c1ccncn1 ZINC000546152839 1101735373 /nfs/dbraw/zinc/73/53/73/1101735373.db2.gz JPKSOLXQJSKKCP-ZDUSSCGKSA-N -1 0 371.368 4.297 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2ccc(NCCc3ccccc3)cc2)cc1[O-] ZINC000191018837 1101798411 /nfs/dbraw/zinc/79/84/11/1101798411.db2.gz XXPJHCNUVIOBAC-UHFFFAOYSA-N -1 0 357.413 4.171 20 30 FIEDRM N#CCCSc1ccccc1NC(=O)c1ccc(Br)o1 ZINC000519405912 1102175404 /nfs/dbraw/zinc/17/54/04/1102175404.db2.gz VVPMGXZQFAJTDJ-UHFFFAOYSA-N -1 0 351.225 4.300 20 30 FIEDRM Cc1c([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)onc1C1CCCCC1 ZINC000550794060 1102322575 /nfs/dbraw/zinc/32/25/75/1102322575.db2.gz ZFGUBZLRSXLNEE-UHFFFAOYSA-N -1 0 359.451 4.012 20 30 FIEDRM COc1cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)ccc1F ZINC000121780535 1102436712 /nfs/dbraw/zinc/43/67/12/1102436712.db2.gz NZYITMMRKROVLG-AWEZNQCLSA-N -1 0 352.390 4.448 20 30 FIEDRM CSc1nc(C2CC2)cc(C(=O)Nc2ccc([O-])c(Cl)c2)c1C#N ZINC000111666549 1102698891 /nfs/dbraw/zinc/69/88/91/1102698891.db2.gz AKMXCIMYWHFWLT-UHFFFAOYSA-N -1 0 359.838 4.164 20 30 FIEDRM CCS[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1)C(C)C ZINC000067600604 1102997932 /nfs/dbraw/zinc/99/79/32/1102997932.db2.gz WJCQUWMEJLCCFF-GFCCVEGCSA-N -1 0 369.430 4.128 20 30 FIEDRM N#CC(=C([O-])c1cnn(-c2ccccc2F)c1)c1nc2ccccc2s1 ZINC000138547098 1103414410 /nfs/dbraw/zinc/41/44/10/1103414410.db2.gz JABDNRKFFSAZDM-ZDUSSCGKSA-N -1 0 362.389 4.111 20 30 FIEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)c1Cl ZINC000538298361 1104119891 /nfs/dbraw/zinc/11/98/91/1104119891.db2.gz LHPQWTQMDLFAJL-UHFFFAOYSA-N -1 0 374.771 4.340 20 30 FIEDRM CCc1ccc(C([O-])=C(C#N)c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000473946857 1104449778 /nfs/dbraw/zinc/44/97/78/1104449778.db2.gz RCVRMTCYGLTMQG-ZDUSSCGKSA-N -1 0 351.387 4.257 20 30 FIEDRM CSc1[n-]c(=O)c(C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)cc1C#N ZINC000331005689 1104693678 /nfs/dbraw/zinc/69/36/78/1104693678.db2.gz SQFWCPVRMCYVRC-UHFFFAOYSA-N -1 0 372.494 4.184 20 30 FIEDRM CC[C@H](c1nnc(NC(=O)c2cscc2C#N)s1)c1ccccc1 ZINC000550411213 1104790739 /nfs/dbraw/zinc/79/07/39/1104790739.db2.gz DNETUTDQFHXPHG-ZDUSSCGKSA-N -1 0 354.460 4.265 20 30 FIEDRM C=CCCCS(=O)(=O)[N-]c1ncc(Cc2cccc(Cl)c2)s1 ZINC000427794730 1105277999 /nfs/dbraw/zinc/27/79/99/1105277999.db2.gz VQNIWHAJQSJCCH-UHFFFAOYSA-N -1 0 356.900 4.095 20 30 FIEDRM C=CCCCS(=O)(=O)[N-]c1ncc(Cc2ccccc2Cl)s1 ZINC000427795268 1105278328 /nfs/dbraw/zinc/27/83/28/1105278328.db2.gz YMZVLRLQFOAMTA-UHFFFAOYSA-N -1 0 356.900 4.095 20 30 FIEDRM C=CCCCS(=O)(=O)[N-]c1nc(-c2nccc3ccccc32)cs1 ZINC000427779902 1105279772 /nfs/dbraw/zinc/27/97/72/1105279772.db2.gz PPRXCLRAUDXIHL-UHFFFAOYSA-N -1 0 359.476 4.066 20 30 FIEDRM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(C#N)c3ccccc3n2)s1 ZINC000508125471 1105334027 /nfs/dbraw/zinc/33/40/27/1105334027.db2.gz ONNDVIIJJKXMMM-UHFFFAOYSA-N -1 0 371.487 4.266 20 30 FIEDRM N#Cc1ccc([N-]S(=O)(=O)c2cc3ccccc3o2)cc1C(F)(F)F ZINC000530770159 1107310326 /nfs/dbraw/zinc/31/03/26/1107310326.db2.gz FASNEWPHNSHYCN-UHFFFAOYSA-N -1 0 366.320 4.124 20 30 FIEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](c2cccc(C)c2)C(C)(C)C)cc1C#N ZINC000088463409 1108000625 /nfs/dbraw/zinc/00/06/25/1108000625.db2.gz MZTQKVBNPQWCQT-INIZCTEOSA-N -1 0 369.490 4.206 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cc(C)sn3)n2)cc1 ZINC000447522299 1109560153 /nfs/dbraw/zinc/56/01/53/1109560153.db2.gz QAJXPHKHGDGOCZ-CYBMUJFWSA-N -1 0 355.444 4.074 20 30 FIEDRM Cc1ccc(F)cc1CN=c1[n-]nc(SCc2ccc(C#N)cc2)s1 ZINC000447967156 1109683338 /nfs/dbraw/zinc/68/33/38/1109683338.db2.gz YCSSIQBXDASCDV-UHFFFAOYSA-N -1 0 370.478 4.184 20 30 FIEDRM Cc1ccc(F)c(CN=c2[n-]nc(SCc3ccc(C#N)cc3)s2)c1 ZINC000447962841 1109688341 /nfs/dbraw/zinc/68/83/41/1109688341.db2.gz LWDJJTJKNDSAHV-UHFFFAOYSA-N -1 0 370.478 4.184 20 30 FIEDRM CC[C@@H](c1n[n-]c(=NCc2ccc(C#N)cc2F)s1)c1ccccc1 ZINC000538591950 1111212372 /nfs/dbraw/zinc/21/23/72/1111212372.db2.gz MBZDPZWOTZJCKL-MRXNPFEDSA-N -1 0 352.438 4.125 20 30 FIEDRM Cc1ccc(OCC(=O)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000042233248 1112840173 /nfs/dbraw/zinc/84/01/73/1112840173.db2.gz MKLDHYFXXFECTC-UHFFFAOYSA-N -1 0 374.245 4.026 20 30 FIEDRM Cc1nc(C(C)(C)C)sc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000488258934 1113891486 /nfs/dbraw/zinc/89/14/86/1113891486.db2.gz SUISMVCDCIYVFX-GFCCVEGCSA-N -1 0 352.463 4.126 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(Cl)cc(Cl)c2)n1 ZINC000067895421 1114271896 /nfs/dbraw/zinc/27/18/96/1114271896.db2.gz NQNFOHZNIUVSGH-LLVKDONJSA-N -1 0 369.229 4.117 20 30 FIEDRM CC(C)(C)C1CCC(C#N)(NC(=O)c2cc(F)c([O-])c(Cl)c2)CC1 ZINC000570909647 1114384002 /nfs/dbraw/zinc/38/40/02/1114384002.db2.gz KRWBLOWJRUQZCN-UHFFFAOYSA-N -1 0 352.837 4.413 20 30 FIEDRM CSc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000055576420 1114496282 /nfs/dbraw/zinc/49/62/82/1114496282.db2.gz LJTQPTMWSKWGCU-UHFFFAOYSA-N -1 0 372.393 4.100 20 30 FIEDRM CC(C)(C)c1csc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)c1C#N ZINC000589967509 1114869061 /nfs/dbraw/zinc/86/90/61/1114869061.db2.gz QAHUBKRIURGZFR-ZDUSSCGKSA-N -1 0 356.447 4.114 20 30 FIEDRM O=C(Cc1c(Cl)cccc1Cl)[N-]S(=O)(=O)C1CCCCC1 ZINC000058072490 1115091856 /nfs/dbraw/zinc/09/18/56/1115091856.db2.gz BZPVNSDWNDWZBV-UHFFFAOYSA-N -1 0 350.267 4.155 20 30 FIEDRM N#CC(=C([O-])c1sccc1OC(F)F)c1nc2ccccc2s1 ZINC000591862056 1115165878 /nfs/dbraw/zinc/16/58/78/1115165878.db2.gz LDJRDAHGTGFSRD-MRVPVSSYSA-N -1 0 350.371 4.449 20 30 FIEDRM N#CC(=C([O-])c1cc(F)cc2nccnc21)c1nc2cc(F)ccc2s1 ZINC000592973319 1115272169 /nfs/dbraw/zinc/27/21/69/1115272169.db2.gz CVTRDDDDFCMTFB-GFCCVEGCSA-N -1 0 366.352 4.008 20 30 FIEDRM N#CC(=C([O-])c1ccc(Br)o1)c1nc2cc(F)ccc2s1 ZINC000592974341 1115272792 /nfs/dbraw/zinc/27/27/92/1115272792.db2.gz UIOREVDBERMDEB-MRVPVSSYSA-N -1 0 365.183 4.281 20 30 FIEDRM Cn1cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)c(C2CCC2)n1 ZINC000574181846 1115293110 /nfs/dbraw/zinc/29/31/10/1115293110.db2.gz YAFFJEQUZLQHES-LBPRGKRZSA-N -1 0 370.865 4.441 20 30 FIEDRM O=C(Cc1c(F)cccc1Cl)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000046928713 1115549397 /nfs/dbraw/zinc/54/93/97/1115549397.db2.gz LNDLYEROYYVNQU-UHFFFAOYSA-N -1 0 368.238 4.082 20 30 FIEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)Cc1coc2cc(C)c(C)cc12 ZINC000046928115 1115549403 /nfs/dbraw/zinc/54/94/03/1115549403.db2.gz HHDKTIZKORQUJG-UHFFFAOYSA-N -1 0 357.431 4.246 20 30 FIEDRM Cc1cc(Cl)c2ncc(C#N)c(N3CCC(CCC(=O)[O-])CC3)c2c1 ZINC000595968494 1115568409 /nfs/dbraw/zinc/56/84/09/1115568409.db2.gz SFGVEDAPGDXKMF-UHFFFAOYSA-N -1 0 357.841 4.150 20 30 FIEDRM N#CC1(c2nc(-c3cc(F)c([O-])c(Br)c3)no2)CCCCC1 ZINC000598684173 1115744618 /nfs/dbraw/zinc/74/46/18/1115744618.db2.gz RQMXQZCAQOYEIH-UHFFFAOYSA-N -1 0 366.190 4.069 20 30 FIEDRM N#CCCCCCC(=O)N=c1nc(-c2ccccc2C(F)(F)F)[n-]s1 ZINC000598769793 1115751550 /nfs/dbraw/zinc/75/15/50/1115751550.db2.gz SABMYASEDMHVLI-UHFFFAOYSA-N -1 0 368.384 4.058 20 30 FIEDRM COc1ccc(CCCC(=O)[N-]S(=O)(=O)c2ccccc2Cl)cc1 ZINC000061067367 1115768045 /nfs/dbraw/zinc/76/80/45/1115768045.db2.gz KZJVYEKULNCXRC-UHFFFAOYSA-N -1 0 367.854 4.017 20 30 FIEDRM Cc1nc(C(C)(C)C)sc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1 ZINC000605363676 1115891210 /nfs/dbraw/zinc/89/12/10/1115891210.db2.gz YLSAWPLNSFYGLD-LBPRGKRZSA-N -1 0 352.463 4.424 20 30 FIEDRM Cc1c2cc(F)ccc2sc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000064102197 1116142118 /nfs/dbraw/zinc/14/21/18/1116142118.db2.gz KLMCPIYCRGHRSV-AWEZNQCLSA-N -1 0 368.437 4.157 20 30 FIEDRM CC(C)(C)c1[n-]n(Cc2cc(-c3ccc(F)cc3)no2)c(=O)c1CCC#N ZINC000535360555 1116298771 /nfs/dbraw/zinc/29/87/71/1116298771.db2.gz VSRGBFSWDNPCRH-UHFFFAOYSA-N -1 0 368.412 4.185 20 30 FIEDRM COc1cccc(N=c2[n-]nc(S[C@H](C)c3cccc(C#N)c3)s2)c1 ZINC000442896270 1116328939 /nfs/dbraw/zinc/32/89/39/1116328939.db2.gz BWHKGIUYTSDRRR-GFCCVEGCSA-N -1 0 368.487 4.437 20 30 FIEDRM CCc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1F ZINC000443454749 1118376687 /nfs/dbraw/zinc/37/66/87/1118376687.db2.gz LBOKMOOGEFASEI-UHFFFAOYSA-N -1 0 372.343 4.079 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(-c3ccccc3)o2)n1 ZINC000541356294 1118488976 /nfs/dbraw/zinc/48/89/76/1118488976.db2.gz YUAOTKWUOFFJGJ-ZDUSSCGKSA-N -1 0 366.398 4.070 20 30 FIEDRM N#CC(=C([O-])c1cnc(-c2ccco2)s1)c1cc(C(F)(F)F)ccn1 ZINC000464431183 1118555227 /nfs/dbraw/zinc/55/52/27/1118555227.db2.gz UQYIVZIULHFRER-JTQLQIEISA-N -1 0 363.320 4.307 20 30 FIEDRM N#CC(=C([O-])c1cnc(-c2ccccn2)s1)c1cc(C(F)(F)F)ccn1 ZINC000464421215 1118558302 /nfs/dbraw/zinc/55/83/02/1118558302.db2.gz LCCIHXPUBJAWQL-LLVKDONJSA-N -1 0 374.347 4.109 20 30 FIEDRM Cc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464421220 1118558363 /nfs/dbraw/zinc/55/83/63/1118558363.db2.gz LDDQZJJIEHZISC-HNNXBMFYSA-N -1 0 370.334 4.085 20 30 FIEDRM CCCn1ncc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1C1CC1 ZINC000464464059 1118571385 /nfs/dbraw/zinc/57/13/85/1118571385.db2.gz CNUUORVHZTZUOT-ZDUSSCGKSA-N -1 0 362.355 4.074 20 30 FIEDRM COc1cccc(N=c2[n-]nc(SCc3ccc(CC#N)cc3)s2)c1 ZINC000542215720 1118848528 /nfs/dbraw/zinc/84/85/28/1118848528.db2.gz BOGYKYNVPUZTTA-UHFFFAOYSA-N -1 0 368.487 4.071 20 30 FIEDRM Cc1nc(-c2ccccc2)ncc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000178108540 1119371872 /nfs/dbraw/zinc/37/18/72/1119371872.db2.gz YXMRKRLHGTZABR-OAHLLOKOSA-N -1 0 354.369 4.083 20 30 FIEDRM CC(C)Oc1cccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)n1 ZINC000123294817 1119472758 /nfs/dbraw/zinc/47/27/58/1119472758.db2.gz YOASHPCBBWWNAF-OAHLLOKOSA-N -1 0 363.442 4.482 20 30 FIEDRM Cc1nn(-c2ccccc2)c2sc(/C([O-])=N/c3nnc4ccccn43)cc12 ZINC000031740761 1119547218 /nfs/dbraw/zinc/54/72/18/1119547218.db2.gz TVXDNZLZKZQBFY-UHFFFAOYSA-N -1 0 374.429 4.074 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc(N3CCC(C)CC3)nc2)n1 ZINC000183128632 1119566540 /nfs/dbraw/zinc/56/65/40/1119566540.db2.gz AJIHGFZNMJDPFV-MRXNPFEDSA-N -1 0 368.506 4.388 20 30 FIEDRM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cccc2c1OCCO2 ZINC000191568803 1119984584 /nfs/dbraw/zinc/98/45/84/1119984584.db2.gz CLZIZCKWWKNOHM-UHFFFAOYSA-N -1 0 373.474 4.111 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H](C)c1c(F)cccc1F ZINC000153137517 1120019889 /nfs/dbraw/zinc/01/98/89/1120019889.db2.gz SLMUCEZYMHUJHE-BXUZGUMPSA-N -1 0 366.367 4.450 20 30 FIEDRM N#CC(=C([O-])c1coc(C2CC2)n1)c1nc(-c2c(F)cccc2F)cs1 ZINC000670116786 1120350961 /nfs/dbraw/zinc/35/09/61/1120350961.db2.gz CUBKXAAUHNSZQY-SNVBAGLBSA-N -1 0 371.368 4.444 20 30 FIEDRM CC(C)OCc1ccccc1C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000914557315 1120361593 /nfs/dbraw/zinc/36/15/93/1120361593.db2.gz QHRZBNJENWCINC-JMIUGGIZSA-N -1 0 362.813 4.498 20 30 FIEDRM Cc1cc2c(c(F)c1)NC(=O)C2=N[N-]c1nc(-c2ccccc2)cs1 ZINC000914773575 1120531327 /nfs/dbraw/zinc/53/13/27/1120531327.db2.gz XFUTZMXJSIAILU-UHFFFAOYSA-N -1 0 352.394 4.026 20 30 FIEDRM O=C([O-])Cc1ccc(C(=O)/C=C\c2ccc(F)c(Br)c2)cc1 ZINC000915106158 1120815151 /nfs/dbraw/zinc/81/51/51/1120815151.db2.gz LXDFAWBFBAEVKL-YWEYNIOJSA-N -1 0 363.182 4.111 20 30 FIEDRM CC(=Cc1ccc(-c2ccccc2F)s1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000193608649 1120981321 /nfs/dbraw/zinc/98/13/21/1120981321.db2.gz CPPHTALUFAHDKT-PKNBQFBNSA-N -1 0 351.406 4.378 20 30 FIEDRM N#CCOc1ccccc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000193617662 1120987433 /nfs/dbraw/zinc/98/74/33/1120987433.db2.gz SETWKEKFXDUJHR-CYBMUJFWSA-N -1 0 367.817 4.342 20 30 FIEDRM CO[C@@H](C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1Cl ZINC000763098784 1121115071 /nfs/dbraw/zinc/11/50/71/1121115071.db2.gz ZJELDIQFEXGWFP-CPIUSTHESA-N -1 0 369.204 4.414 20 30 FIEDRM COc1ccc(-c2nc(SC/C(Cl)=C\Cl)[n-]c(=O)c2C#N)cc1 ZINC000763172113 1121213088 /nfs/dbraw/zinc/21/30/88/1121213088.db2.gz VIVHTEYCOJCGRC-UXBLZVDNSA-N -1 0 368.245 4.141 20 30 FIEDRM CC(N=Nc1nncc2ccccc21)c1ccc(-c2ccc(C(=O)[O-])o2)cc1 ZINC000915909685 1121351509 /nfs/dbraw/zinc/35/15/09/1121351509.db2.gz OOKNBKMCTGTJSM-UHFFFAOYSA-N -1 0 372.384 4.424 20 30 FIEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2ccccc2OCc2cccnc2)cc1 ZINC000915988182 1121367683 /nfs/dbraw/zinc/36/76/83/1121367683.db2.gz RIFGAUDWWXKVSW-VAWYXSNFSA-N -1 0 373.408 4.184 20 30 FIEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2cc(Cl)c3c(c2)OCCCO3)cc1 ZINC000915987878 1121368377 /nfs/dbraw/zinc/36/83/77/1121368377.db2.gz MCBGINLBLJVGGO-QPJJXVBHSA-N -1 0 372.804 4.025 20 30 FIEDRM O=C([O-])c1ccc(C(=O)/C=C/c2cccc(OCC(F)(F)F)c2)s1 ZINC000915988297 1121368472 /nfs/dbraw/zinc/36/84/72/1121368472.db2.gz UAEZAQAZEIOCEM-SNAWJCMRSA-N -1 0 356.321 4.284 20 30 FIEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2ccccc2OCc2ccccn2)cc1 ZINC000915988283 1121368557 /nfs/dbraw/zinc/36/85/57/1121368557.db2.gz TVXRUSFHRVURON-OUKQBFOZSA-N -1 0 373.408 4.184 20 30 FIEDRM COc1ccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc1OC(F)F ZINC000916259999 1121455160 /nfs/dbraw/zinc/45/51/60/1121455160.db2.gz XGRXLPJRNYTESY-UHFFFAOYSA-N -1 0 370.739 4.094 20 30 FIEDRM CCCC[C@@H](CC)COc1ccc(C(C)=NNc2nnc(C)c(=O)[n-]2)cc1 ZINC000916282981 1121457661 /nfs/dbraw/zinc/45/76/61/1121457661.db2.gz WTQGBPFJLIXBJH-MRXNPFEDSA-N -1 0 371.485 4.317 20 30 FIEDRM O=C(C(=NN=Cc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1)c1ccccc1 ZINC000916267043 1121459417 /nfs/dbraw/zinc/45/94/17/1121459417.db2.gz WCGKGNSXOGSYJN-UHFFFAOYSA-N -1 0 373.368 4.007 20 30 FIEDRM Cc1cc2c(c(C)c1)NC(=O)C2=NNc1ncc(C(F)(F)F)cc1Cl ZINC000916286722 1121464242 /nfs/dbraw/zinc/46/42/42/1121464242.db2.gz QTEDLNYTLUNVLV-UHFFFAOYSA-N -1 0 368.746 4.139 20 30 FIEDRM O=C([O-])c1ccc(NN=Cc2sc(Oc3ccccc3)nc2Cl)nc1 ZINC000763368423 1121481228 /nfs/dbraw/zinc/48/12/28/1121481228.db2.gz NVSXIEZLWBOFOT-UHFFFAOYSA-N -1 0 374.809 4.128 20 30 FIEDRM COc1cc(/C=C2\CCCc3ccccc3C2=O)ccc1OCCC(=O)[O-] ZINC000763368673 1121482435 /nfs/dbraw/zinc/48/24/35/1121482435.db2.gz JBDKTBKAAVRRNA-GHRIWEEISA-N -1 0 366.413 4.151 20 30 FIEDRM COc1cc(/C=C2/Cc3ccc(Cl)cc3C2=O)ccc1OCCC(=O)[O-] ZINC000763372697 1121504347 /nfs/dbraw/zinc/50/43/47/1121504347.db2.gz DUARQNHUISEHFX-ZSOIEALJSA-N -1 0 372.804 4.025 20 30 FIEDRM CCCc1ccc(C(=O)/C=C\c2ccc(OCCC(=O)[O-])c(OC)c2)cc1 ZINC000763374463 1121524676 /nfs/dbraw/zinc/52/46/76/1121524676.db2.gz SAPWVRLHBGICIO-XFFZJAGNSA-N -1 0 368.429 4.397 20 30 FIEDRM O=C1c2cc(C(F)(F)F)cnc2CC/C1=C/c1cc(F)c([O-])c(F)c1 ZINC000154084713 1121557878 /nfs/dbraw/zinc/55/78/78/1121557878.db2.gz NSFJHKURLUYPLX-OQFOIZHKSA-N -1 0 355.262 4.297 20 30 FIEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(Oc2ccccc2)cc1 ZINC000916875164 1121905668 /nfs/dbraw/zinc/90/56/68/1121905668.db2.gz UHRSOKOXQFUYDP-LJQANCHMSA-N -1 0 350.418 4.108 20 30 FIEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc(C)n(C2CCCCC2)c1C ZINC000916878145 1121907258 /nfs/dbraw/zinc/90/72/58/1121907258.db2.gz PBKMPDBGEMQXNZ-LJQANCHMSA-N -1 0 357.498 4.239 20 30 FIEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cc2c(cccc2Cl)s1 ZINC000916895893 1121924876 /nfs/dbraw/zinc/92/48/76/1121924876.db2.gz WBCFSXGXAQBVMM-ZDUSSCGKSA-N -1 0 360.866 4.326 20 30 FIEDRM N#CC(=C([O-])c1ccc(C#N)cc1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000066544952 1122072030 /nfs/dbraw/zinc/07/20/30/1122072030.db2.gz KCSLSJQRDNXVHJ-QGZVFWFLSA-N -1 0 354.394 4.044 20 30 FIEDRM N#CCc1cccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000066544630 1122072260 /nfs/dbraw/zinc/07/22/60/1122072260.db2.gz QTUWHJJNTIWIQP-SFHVURJKSA-N -1 0 368.421 4.238 20 30 FIEDRM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)c1 ZINC000066814118 1122098701 /nfs/dbraw/zinc/09/87/01/1122098701.db2.gz WUDZAVJNMWGFCP-CYBMUJFWSA-N -1 0 374.487 4.084 20 30 FIEDRM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc3c(cc2O)OCO3)cc1 ZINC000917119374 1122158590 /nfs/dbraw/zinc/15/85/90/1122158590.db2.gz AUUQLLUPQLZPEJ-SFHVURJKSA-N -1 0 372.380 4.029 20 30 FIEDRM N#CC(=C([O-])c1cccc(NC(=O)c2ccco2)c1)c1nc2ccccc2o1 ZINC000054736843 1122195294 /nfs/dbraw/zinc/19/52/94/1122195294.db2.gz SFJRWYALEDBFIN-HNNXBMFYSA-N -1 0 371.352 4.163 20 30 FIEDRM N#CC(=C([O-])c1cc(F)cc(Br)c1)c1nc2ccccc2o1 ZINC000054735553 1122195381 /nfs/dbraw/zinc/19/53/81/1122195381.db2.gz DKKSQPJXFURXOK-LBPRGKRZSA-N -1 0 359.154 4.219 20 30 FIEDRM O=C([O-])COc1cccc(C(=O)/C=C/c2cc(Cl)cc(Cl)c2)c1 ZINC000917516780 1122344287 /nfs/dbraw/zinc/34/42/87/1122344287.db2.gz FJXYWCUTGMIVJB-SNAWJCMRSA-N -1 0 351.185 4.353 20 30 FIEDRM Fc1ccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)cc1-c1cccs1 ZINC000917534747 1122351580 /nfs/dbraw/zinc/35/15/80/1122351580.db2.gz OEEAGVHPQHIXJK-UHFFFAOYSA-N -1 0 372.372 4.335 20 30 FIEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/CCCOCCc2ccccc2)c1[O-] ZINC000917557817 1122361688 /nfs/dbraw/zinc/36/16/88/1122361688.db2.gz WKOVREDCXBYWQO-DEDYPNTBSA-N -1 0 362.813 4.022 20 30 FIEDRM COc1cc(/C=C\C(=O)c2ccc3ccccc3c2[O-])cc(OC)c1OC ZINC000033414288 1122474726 /nfs/dbraw/zinc/47/47/26/1122474726.db2.gz RWLQOFFOVBKUNG-FLIBITNWSA-N -1 0 364.397 4.467 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2cnc(C(F)(F)F)c(C#N)c2)n1 ZINC000498063332 1122548461 /nfs/dbraw/zinc/54/84/61/1122548461.db2.gz UYMRGTHDVBNRPB-NSHDSACASA-N -1 0 364.352 4.042 20 30 FIEDRM Cc1onc(-c2cccnc2)c1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000556938951 1123257067 /nfs/dbraw/zinc/25/70/67/1123257067.db2.gz BUVYGJPIULYHSA-CYBMUJFWSA-N -1 0 366.446 4.289 20 30 FIEDRM CCOCCOc1ccccc1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000499192848 1123313566 /nfs/dbraw/zinc/31/35/66/1123313566.db2.gz SRBDRZDYCNQGQN-OAHLLOKOSA-N -1 0 366.442 4.202 20 30 FIEDRM COCCCOc1ccccc1N=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000920172273 1123402202 /nfs/dbraw/zinc/40/22/02/1123402202.db2.gz CAUQBKLZQZBGFB-UHFFFAOYSA-N -1 0 364.785 4.120 20 30 FIEDRM N#C[C@@H](Sc1n[n-]c(=NCCc2ccccc2)s1)C1CCCCC1 ZINC000609648986 1123781627 /nfs/dbraw/zinc/78/16/27/1123781627.db2.gz QERYRCKADPJUGH-MRXNPFEDSA-N -1 0 358.536 4.179 20 30 FIEDRM COc1ccccc1N=c1[n-]nc(S[C@H](C#N)C2CCCCC2)s1 ZINC000609648773 1123781643 /nfs/dbraw/zinc/78/16/43/1123781643.db2.gz YJWBKKDIOOOICG-OAHLLOKOSA-N -1 0 360.508 4.277 20 30 FIEDRM C[C@H](Sc1n[n-]c(=NCCc2ccccc2)s1)c1ccc(C#N)cc1 ZINC000609813762 1123855564 /nfs/dbraw/zinc/85/55/64/1123855564.db2.gz OBQJNAZPGJZSOO-AWEZNQCLSA-N -1 0 366.515 4.340 20 30 FIEDRM CC(C)NC(=O)Nc1cccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1 ZINC000080459651 1123966743 /nfs/dbraw/zinc/96/67/43/1123966743.db2.gz MYXCXFFWWZMTET-OAHLLOKOSA-N -1 0 370.478 4.286 20 30 FIEDRM N#CC(=C([O-])c1cccc(C#N)c1)c1nc(-c2c(F)cccc2F)cs1 ZINC000068348880 1124190258 /nfs/dbraw/zinc/19/02/58/1124190258.db2.gz NHMIVIRSQWMNDZ-CYBMUJFWSA-N -1 0 365.364 4.450 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2SC[C@H](C)C#N)s1 ZINC000108251859 1124270405 /nfs/dbraw/zinc/27/04/05/1124270405.db2.gz VSOIUDLQCGKPKS-LLVKDONJSA-N -1 0 352.506 4.109 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C2(c3cccc(F)c3)CCCC2)cc1 ZINC000069521784 1124940934 /nfs/dbraw/zinc/94/09/34/1124940934.db2.gz AEEAREGARFVWEO-UHFFFAOYSA-N -1 0 361.438 4.291 20 30 FIEDRM CC(C)(C)c1cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)n[nH]1 ZINC000076607162 1125006443 /nfs/dbraw/zinc/00/64/43/1125006443.db2.gz DGCGHHZRDQDKJM-SNVBAGLBSA-N -1 0 358.854 4.460 20 30 FIEDRM CC(C)(C)n1cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cn1 ZINC000076607244 1125006521 /nfs/dbraw/zinc/00/65/21/1125006521.db2.gz FNELHDFPGKLDPN-LBPRGKRZSA-N -1 0 358.854 4.391 20 30 FIEDRM O=C([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccc(F)cc1F ZINC000069641524 1125079328 /nfs/dbraw/zinc/07/93/28/1125079328.db2.gz KOFJANSIFRFGDS-UHFFFAOYSA-N -1 0 372.201 4.027 20 30 FIEDRM O=C(CCc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000069641496 1125079365 /nfs/dbraw/zinc/07/93/65/1125079365.db2.gz ARXMGTOPJLKUKV-UHFFFAOYSA-N -1 0 364.275 4.333 20 30 FIEDRM C=CCN(CC1CCCCC1)C(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000069973697 1125224756 /nfs/dbraw/zinc/22/47/56/1125224756.db2.gz LKCRDMVDPAURKX-UHFFFAOYSA-N -1 0 357.479 4.206 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2c[nH]c3cc(Cl)ccc23)cc1 ZINC000070029191 1125243870 /nfs/dbraw/zinc/24/38/70/1125243870.db2.gz CSCYRNKVCLSJDK-UHFFFAOYSA-N -1 0 362.838 4.018 20 30 FIEDRM CC(C)CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000070036225 1125245716 /nfs/dbraw/zinc/24/57/16/1125245716.db2.gz DLUAMUADYNIEJP-WDEREUQCSA-N -1 0 350.267 4.039 20 30 FIEDRM Cc1ncc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)c(C(C)C)n1 ZINC000604135043 568215744 /nfs/dbraw/zinc/21/57/44/568215744.db2.gz NNFBLJHBPQFBDX-LBPRGKRZSA-N -1 0 354.410 4.147 20 30 FIEDRM CCSc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619462677 1125596256 /nfs/dbraw/zinc/59/62/56/1125596256.db2.gz AOWVDZSLVSUOJF-UHFFFAOYSA-N -1 0 366.895 4.319 20 30 FIEDRM CC(C)COc1ncc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1Cl ZINC000182876907 1125659389 /nfs/dbraw/zinc/65/93/89/1125659389.db2.gz JKLDPOGIQOSGLS-CYBMUJFWSA-N -1 0 369.808 4.401 20 30 FIEDRM CC(=O)c1ccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 ZINC000182887591 1125667590 /nfs/dbraw/zinc/66/75/90/1125667590.db2.gz BWLUNEMONPMJGS-SFHVURJKSA-N -1 0 371.421 4.374 20 30 FIEDRM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1cc(C#N)ccc1Cl ZINC000471107160 1079571308 /nfs/dbraw/zinc/57/13/08/1079571308.db2.gz GASZRUPNUSSCPW-UHFFFAOYSA-N -1 0 364.785 4.206 20 30 FIEDRM O=C(COc1ccccc1-c1ccccc1)[N-]S(=O)(=O)c1cccs1 ZINC000042244739 1079786237 /nfs/dbraw/zinc/78/62/37/1079786237.db2.gz WXKXMIHCFSQHHM-UHFFFAOYSA-N -1 0 373.455 4.139 20 30 FIEDRM N#Cc1ccccc1Oc1ccc(N=Cc2ccc(O)c(O)c2O)cc1F ZINC000254912909 1079975142 /nfs/dbraw/zinc/97/51/42/1079975142.db2.gz SBIIYUFGLRXPEE-UHFFFAOYSA-N -1 0 364.332 4.357 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cnn(C(C)C)c2-c2ccccc2)n1 ZINC000579905881 1080943573 /nfs/dbraw/zinc/94/35/73/1080943573.db2.gz QVJVJYURZNDIKG-OAHLLOKOSA-N -1 0 350.447 4.386 20 30 FIEDRM CCCOc1cccc(C([O-])=C(C#N)C(=O)c2c(C)[nH]c3ccccc32)c1 ZINC000121063096 1081334843 /nfs/dbraw/zinc/33/48/43/1081334843.db2.gz LRIWHPMQMDIGHY-GOSISDBHSA-N -1 0 360.413 4.471 20 30 FIEDRM CSc1ccc2c(c1)CC/C(=C\c1cccc(O[C@H](C)C(=O)[O-])c1)C2=O ZINC000748148585 1081609376 /nfs/dbraw/zinc/60/93/76/1081609376.db2.gz UZFAYCVHNQPREM-BVTUPMQUSA-N -1 0 368.454 4.473 20 30 FIEDRM CCCn1ncc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1C1CC1 ZINC000430589879 1082533754 /nfs/dbraw/zinc/53/37/54/1082533754.db2.gz FYFOGULIWSODRU-CYBMUJFWSA-N -1 0 356.495 4.415 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)oc2c1C(=O)CCC2 ZINC000430590263 1082535513 /nfs/dbraw/zinc/53/55/13/1082535513.db2.gz CGYLJULXTNFALA-NSHDSACASA-N -1 0 356.447 4.351 20 30 FIEDRM CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cccc(N3CCCC3=O)c2)s1 ZINC000430615392 1082700907 /nfs/dbraw/zinc/70/09/07/1082700907.db2.gz BQHRNQZEAKLYAR-OAHLLOKOSA-N -1 0 367.474 4.057 20 30 FIEDRM CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2cccc(N3CCCC3=O)c2)s1 ZINC000430615391 1082701042 /nfs/dbraw/zinc/70/10/42/1082701042.db2.gz BQHRNQZEAKLYAR-HNNXBMFYSA-N -1 0 367.474 4.057 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccn(-c3ccccc3)n2)s1 ZINC000430624132 1082745487 /nfs/dbraw/zinc/74/54/87/1082745487.db2.gz IEYRXJNWFIJNGH-CQSZACIVSA-N -1 0 350.447 4.116 20 30 FIEDRM Cc1cccc2[nH]cc(CC(=O)[N-]S(=O)(=O)[C@@H](C)c3ccccc3)c21 ZINC000077880812 1082797481 /nfs/dbraw/zinc/79/74/81/1082797481.db2.gz HXULTWKALIAIRF-AWEZNQCLSA-N -1 0 356.447 4.066 20 30 FIEDRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000077881669 1082798780 /nfs/dbraw/zinc/79/87/80/1082798780.db2.gz JAZQZSMFKZXHOL-KWCYVHTRSA-N -1 0 365.401 4.116 20 30 FIEDRM COc1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cc([N+](=O)[O-])c1C ZINC000430652049 1082850764 /nfs/dbraw/zinc/85/07/64/1082850764.db2.gz WWDJAOYWGJWTMK-LBPRGKRZSA-N -1 0 373.434 4.156 20 30 FIEDRM C=CCOc1cc(OC)ccc1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000155681180 1082866644 /nfs/dbraw/zinc/86/66/44/1082866644.db2.gz PZJQPMIHNDWGPS-OAHLLOKOSA-N -1 0 364.426 4.360 20 30 FIEDRM CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3ocnc3C3CC3)sc2C1 ZINC000581772089 1082891898 /nfs/dbraw/zinc/89/18/98/1082891898.db2.gz KMBWQKOHGBGJLI-GFCCVEGCSA-N -1 0 355.463 4.498 20 30 FIEDRM CCC(CC)n1ncc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1C ZINC000156228361 1082904159 /nfs/dbraw/zinc/90/41/59/1082904159.db2.gz HXXJHFJJSLYJNN-AWEZNQCLSA-N -1 0 364.371 4.457 20 30 FIEDRM COc1cc(/C=C\C(=O)c2ccc(C)cc2C)ccc1OCCC(=O)[O-] ZINC000588460289 1083330058 /nfs/dbraw/zinc/33/00/58/1083330058.db2.gz XFBLUVUIINVGGK-YVMONPNESA-N -1 0 354.402 4.062 20 30 FIEDRM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000647377240 1083361193 /nfs/dbraw/zinc/36/11/93/1083361193.db2.gz ZEALBZGYGFRRIB-XFBWCDHKSA-N -1 0 365.458 4.105 20 30 FIEDRM Cc1cc(F)ccc1-n1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)n1 ZINC000647378944 1083369091 /nfs/dbraw/zinc/36/90/91/1083369091.db2.gz OMEFIMDUTWGWPK-AWEZNQCLSA-N -1 0 366.421 4.144 20 30 FIEDRM CC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3cc(C#N)ccc3[O-])c21 ZINC000179738373 1083613426 /nfs/dbraw/zinc/61/34/26/1083613426.db2.gz GJWRLNNNSLQIAX-UHFFFAOYSA-N -1 0 362.389 4.053 20 30 FIEDRM O=C1OCCN1c1cccc(N=Cc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000255867202 1083824721 /nfs/dbraw/zinc/82/47/21/1083824721.db2.gz XHWJRHRVQFGTMD-UHFFFAOYSA-N -1 0 351.189 4.406 20 30 FIEDRM Cc1nc(-c2ccccc2)oc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000181391398 1083901365 /nfs/dbraw/zinc/90/13/65/1083901365.db2.gz WFPNBKNJTYMWIS-OAHLLOKOSA-N -1 0 356.385 4.027 20 30 FIEDRM CN(c1ccccc1)c1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cn1 ZINC000181433795 1083912213 /nfs/dbraw/zinc/91/22/13/1083912213.db2.gz MBIRPJWGYHXGCO-QGZVFWFLSA-N -1 0 368.396 4.481 20 30 FIEDRM CN(c1ccccc1)c1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cn1 ZINC000181433813 1083912421 /nfs/dbraw/zinc/91/24/21/1083912421.db2.gz MBIRPJWGYHXGCO-KRWDZBQOSA-N -1 0 368.396 4.481 20 30 FIEDRM COC(=O)c1ccc(-c2ccc(/C=C\C(=O)c3ccc([O-])c(F)c3)o2)cc1 ZINC000728439200 1084162548 /nfs/dbraw/zinc/16/25/48/1084162548.db2.gz XEOVAKHTNIEFEG-YFHOEESVSA-N -1 0 366.344 4.474 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ncccc2-c2ccccc2)cc1Cl ZINC000180121721 1084532256 /nfs/dbraw/zinc/53/22/56/1084532256.db2.gz DOWIQZWQZBZMIJ-UHFFFAOYSA-N -1 0 369.833 4.074 20 30 FIEDRM CCCCCCOc1ccc(C([O-])=C(C#N)C(=O)NC2CCCC2)cc1 ZINC000119830195 1084635075 /nfs/dbraw/zinc/63/50/75/1084635075.db2.gz VMGKQDCKJSBAPO-LJQANCHMSA-N -1 0 356.466 4.027 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cccc4c[nH]nc43)n2)cc1 ZINC000066544378 1084638918 /nfs/dbraw/zinc/63/89/18/1084638918.db2.gz RMROZXUYYRXOAI-MRXNPFEDSA-N -1 0 374.425 4.185 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C=CC(C)(C)C)c(Br)c1 ZINC000075040581 1084986178 /nfs/dbraw/zinc/98/61/78/1084986178.db2.gz QGMNVIVTLNKMHR-BQYQJAHWSA-N -1 0 360.273 4.005 20 30 FIEDRM Cc1c(NC(=O)c2ccc(C#N)c([O-])c2)cccc1C(=O)Nc1ccccc1 ZINC000187749475 1085065059 /nfs/dbraw/zinc/06/50/59/1085065059.db2.gz DGQOOAAUCNHOSQ-UHFFFAOYSA-N -1 0 371.396 4.077 20 30 FIEDRM N#CC(=C([O-])C=Cc1ccncn1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000588539178 1085387211 /nfs/dbraw/zinc/38/72/11/1085387211.db2.gz NPJODRIHMBACPF-YVACAVLKSA-N -1 0 366.833 4.143 20 30 FIEDRM O=C([O-])COc1cccc(/C=C\C(=O)c2cc(Cl)sc2Cl)c1 ZINC000255547503 1085674124 /nfs/dbraw/zinc/67/41/24/1085674124.db2.gz YTJPCXSFNOKUSK-PLNGDYQASA-N -1 0 357.214 4.414 20 30 FIEDRM N#CCSc1cccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1 ZINC000432230215 1085747587 /nfs/dbraw/zinc/74/75/87/1085747587.db2.gz ZBZMECQNMCPFQX-CQSZACIVSA-N -1 0 361.348 4.206 20 30 FIEDRM O=C1c2c3cc(F)ccc3[nH]c2CC/C1=C/c1ccc([O-])c([N+](=O)[O-])c1 ZINC000210288049 1086181726 /nfs/dbraw/zinc/18/17/26/1086181726.db2.gz WLCRVFJABFPZEQ-XFFZJAGNSA-N -1 0 352.321 4.133 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1ccc(Br)o1 ZINC000125855222 1086541471 /nfs/dbraw/zinc/54/14/71/1086541471.db2.gz FCSFWRRZJPUNKB-NSHDSACASA-N -1 0 371.190 4.037 20 30 FIEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1 ZINC000060489143 1086687016 /nfs/dbraw/zinc/68/70/16/1086687016.db2.gz PXAXONFSKMLNPN-UHFFFAOYSA-N -1 0 363.744 4.052 20 30 FIEDRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1(c2ccc(F)cc2)CCC1 ZINC000077881925 1086722970 /nfs/dbraw/zinc/72/29/70/1086722970.db2.gz IIAPMERXHRRLLA-CQSZACIVSA-N -1 0 361.438 4.295 20 30 FIEDRM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)Cc1ccc2c(c1)CCCC2 ZINC000077882577 1086728281 /nfs/dbraw/zinc/72/82/81/1086728281.db2.gz YLARJHOLKGEUOQ-HNNXBMFYSA-N -1 0 357.475 4.155 20 30 FIEDRM COc1ccc(C2(C(=O)[N-]S(=O)(=O)c3ccc(C)cc3)CCCC2)cc1 ZINC000060765242 1087527856 /nfs/dbraw/zinc/52/78/56/1087527856.db2.gz ZBSQRUZZJBORPQ-UHFFFAOYSA-N -1 0 373.474 4.161 20 30 FIEDRM CCCCCc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)n[nH]1 ZINC000659050034 1087975773 /nfs/dbraw/zinc/97/57/73/1087975773.db2.gz FRGORAHYMUXIKJ-ZDUSSCGKSA-N -1 0 371.391 4.377 20 30 FIEDRM N#CC(=C([O-])c1coc(C2CCCC2)n1)c1nc(-c2ccncc2)cs1 ZINC000549081493 1088073530 /nfs/dbraw/zinc/07/35/30/1088073530.db2.gz WXLSRIDTXAVSRX-AWEZNQCLSA-N -1 0 364.430 4.341 20 30 FIEDRM Cc1c(Br)cncc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000659114722 1088113637 /nfs/dbraw/zinc/11/36/37/1088113637.db2.gz QSWVPFUTEFCNHI-JTQLQIEISA-N -1 0 364.268 4.223 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2-c2nc(C(C)C)no2)n1 ZINC000505345438 1088357263 /nfs/dbraw/zinc/35/72/63/1088357263.db2.gz UGPMCKSBDIGAGT-AWEZNQCLSA-N -1 0 352.419 4.115 20 30 FIEDRM C[C@H](Oc1cccc(C(=O)/C=C/c2cc(Cl)cc3c2OCC3)c1)C(=O)[O-] ZINC000782890434 1088506384 /nfs/dbraw/zinc/50/63/84/1088506384.db2.gz YXBYWQUFTUPWMW-FYJFLYSWSA-N -1 0 372.804 4.023 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3o2)cnn1-c1cc(C)ccc1C ZINC000179115200 1088738512 /nfs/dbraw/zinc/73/85/12/1088738512.db2.gz FXMCFPSSXRZILK-MRXNPFEDSA-N -1 0 370.412 4.429 20 30 FIEDRM CC(C)COc1ccc([N-]S(=O)(=O)c2ccc(C#N)s2)cc1Cl ZINC000435494259 1089709507 /nfs/dbraw/zinc/70/95/07/1089709507.db2.gz VIQCSLCLAAPVPK-UHFFFAOYSA-N -1 0 370.883 4.109 20 30 FIEDRM Cc1oc(C#N)cc1C([O-])=C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000435776073 1089930079 /nfs/dbraw/zinc/93/00/79/1089930079.db2.gz BIEFLQMRVPPMLN-GFCCVEGCSA-N -1 0 369.352 4.351 20 30 FIEDRM Cc1nc(C)c(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)nc1C ZINC000468700012 1090700649 /nfs/dbraw/zinc/70/06/49/1090700649.db2.gz MXOBODGOPDQJRC-GFCCVEGCSA-N -1 0 356.838 4.155 20 30 FIEDRM C=CCc1cc(CNc2ccc(S[C@@H](C)C(=O)[O-])cc2)cc(OC)c1O ZINC000417663356 1090954602 /nfs/dbraw/zinc/95/46/02/1090954602.db2.gz WJDQQZFXCPTDEG-ZDUSSCGKSA-N -1 0 373.474 4.307 20 30 FIEDRM COc1ccccc1SC[C@H](C)C/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000728786325 1091079801 /nfs/dbraw/zinc/07/98/01/1091079801.db2.gz YSTNSPWPYKGXCL-OTGIAGGSSA-N -1 0 360.435 4.156 20 30 FIEDRM C=CCOc1cccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000511737500 1091578612 /nfs/dbraw/zinc/57/86/12/1091578612.db2.gz LLAHENXCKOFTSF-UHFFFAOYSA-N -1 0 358.246 4.359 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cccc3ccsc32)n1 ZINC000467834890 1091794783 /nfs/dbraw/zinc/79/47/83/1091794783.db2.gz NUMSJLMKTIJKMG-LBPRGKRZSA-N -1 0 356.428 4.025 20 30 FIEDRM Cc1oc2c(ccc([O-])c2CN(C)[C@@H](C)CC#N)c(=O)c1-c1ccccc1 ZINC000728901959 1091837790 /nfs/dbraw/zinc/83/77/90/1091837790.db2.gz FXMRVXMISAUXAM-AWEZNQCLSA-N -1 0 362.429 4.208 20 30 FIEDRM CCC(CC)c1n[n-]c(=NC(=O)N[C@@H](CCCC#N)c2ccccc2)s1 ZINC000432640146 1092018404 /nfs/dbraw/zinc/01/84/04/1092018404.db2.gz DAXGNVWBXSGVID-INIZCTEOSA-N -1 0 371.510 4.420 20 30 FIEDRM CCc1nc(C(C)C)ccc1Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000418899129 1092303271 /nfs/dbraw/zinc/30/32/71/1092303271.db2.gz KPBJKWRFYYYJFK-UHFFFAOYSA-N -1 0 354.498 4.471 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3s2)cnn1CCC(C)C ZINC000442085293 1092415405 /nfs/dbraw/zinc/41/54/05/1092415405.db2.gz SCAVMCKEOOEHPH-CQSZACIVSA-N -1 0 352.463 4.337 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)cc1[O-] ZINC000442939472 1092875572 /nfs/dbraw/zinc/87/55/72/1092875572.db2.gz CVXWNUKOLMSFCJ-UHFFFAOYSA-N -1 0 365.776 4.357 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2nc(-c3cccc(Cl)c3)cs2)cc1[O-] ZINC000443057572 1092930266 /nfs/dbraw/zinc/93/02/66/1092930266.db2.gz HBFHBCYYAPVZGJ-UHFFFAOYSA-N -1 0 355.806 4.293 20 30 FIEDRM CO[C@H](Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O)c1ccc(Cl)cc1 ZINC000509773989 1093186287 /nfs/dbraw/zinc/18/62/87/1093186287.db2.gz BHTDXYHIXUFJPH-MRXNPFEDSA-N -1 0 361.873 4.383 20 30 FIEDRM CCCN(CCC)C(=O)c1ccc(Nc2cc(C#N)c(F)cc2[O-])cc1 ZINC001211769790 1093269208 /nfs/dbraw/zinc/26/92/08/1093269208.db2.gz JBSAUUYVNWYMEL-UHFFFAOYSA-N -1 0 355.413 4.409 20 30 FIEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccccc1S[C@H](C)CC#N ZINC000114674171 1093669909 /nfs/dbraw/zinc/66/99/09/1093669909.db2.gz OYMQYSVLHGWHEP-CQSZACIVSA-N -1 0 371.487 4.062 20 30 FIEDRM C[C@H]1Sc2ccc(C([O-])=C(C#N)c3ccc4ccccc4n3)cc2NC1=O ZINC000047375333 1093733027 /nfs/dbraw/zinc/73/30/27/1093733027.db2.gz MIDHQLKSQZTBML-IUODEOHRSA-N -1 0 373.437 4.158 20 30 FIEDRM O=C1c2ccc(Cl)c(Cl)c2C/C1=C/c1ccc([O-])c([N+](=O)[O-])c1 ZINC000729150426 1093935227 /nfs/dbraw/zinc/93/52/27/1093935227.db2.gz KEPLNLGZVQINMK-UITAMQMPSA-N -1 0 350.157 4.430 20 30 FIEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1ccc3c(c1)CC(C)(C)O3)CC2 ZINC000729151639 1093935658 /nfs/dbraw/zinc/93/56/58/1093935658.db2.gz ZHSAIZGJRGAWAR-JYRVWZFOSA-N -1 0 352.386 4.212 20 30 FIEDRM C=CCN=c1[n-]nc(S[C@@H](C)c2ccccc2Br)s1 ZINC000513242747 1094033400 /nfs/dbraw/zinc/03/34/00/1094033400.db2.gz XLONTCCRMKQTLH-VIFPVBQESA-N -1 0 356.314 4.174 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2sc(Cc3ccccc3)nc2C)n1 ZINC000041515285 1094640050 /nfs/dbraw/zinc/64/00/50/1094640050.db2.gz JHLPPEYGFNCYHJ-CQSZACIVSA-N -1 0 353.472 4.297 20 30 FIEDRM COc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)ccc1OC(C)C ZINC000041546057 1094648680 /nfs/dbraw/zinc/64/86/80/1094648680.db2.gz KYPUUJMCSOIXDF-CQSZACIVSA-N -1 0 350.374 4.114 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cc(C3CC3)nc3onc(C(C)C)c32)n1 ZINC000182557812 1094788103 /nfs/dbraw/zinc/78/81/03/1094788103.db2.gz ZNDYNYNMIYIIGC-ZDUSSCGKSA-N -1 0 366.446 4.479 20 30 FIEDRM Cc1sc2ncc(/C([O-])=N/[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)c(=O)n2c1C ZINC000329381396 1094873251 /nfs/dbraw/zinc/87/32/51/1094873251.db2.gz NTEKRYOXPMVKSY-RRFJBIMHSA-N -1 0 359.495 4.036 20 30 FIEDRM Cc1sc2ncc(/C([O-])=N/[C@@H]3CC[C@@H]4CCCC[C@H]4C3)c(=O)n2c1C ZINC000329381404 1094873339 /nfs/dbraw/zinc/87/33/39/1094873339.db2.gz NTEKRYOXPMVKSY-SOUVJXGZSA-N -1 0 359.495 4.036 20 30 FIEDRM N#Cc1ccccc1Sc1ccccc1C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000522539145 1095102593 /nfs/dbraw/zinc/10/25/93/1095102593.db2.gz LKIFBRSPUIIJJO-UHFFFAOYSA-N -1 0 372.453 4.051 20 30 FIEDRM Cc1ccc(-n2[n-]c(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)cc2=O)cc1 ZINC000329877766 1095301296 /nfs/dbraw/zinc/30/12/96/1095301296.db2.gz JTVCHEACWRBQSR-GVDBMIGSSA-N -1 0 353.466 4.138 20 30 FIEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](C)c2cc3ccccc3s2)cc1C#N ZINC000502978212 1095997561 /nfs/dbraw/zinc/99/75/61/1095997561.db2.gz AMGKOOVWNQSMLG-SNVBAGLBSA-N -1 0 369.471 4.086 20 30 FIEDRM C[C@H](O/C(=N\[O-])c1cc(F)ccc1F)c1ncc(C(F)(F)F)cc1F ZINC001223889608 1099715191 /nfs/dbraw/zinc/71/51/91/1099715191.db2.gz HEOHGDATLKTHFN-HRXLTMQLSA-N -1 0 364.245 4.431 20 30 FIEDRM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c2cccnc2c1C ZINC000437306322 1099790320 /nfs/dbraw/zinc/79/03/20/1099790320.db2.gz OZFILYCZLYYHGG-UHFFFAOYSA-N -1 0 371.849 4.178 20 30 FIEDRM CC(C)(CC(=O)[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000067784665 1099992190 /nfs/dbraw/zinc/99/21/90/1099992190.db2.gz XHOOXABMBXITIM-UHFFFAOYSA-N -1 0 357.884 4.415 20 30 FIEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C\c1csc(-c2ccc(F)cc2)n1 ZINC000509692615 1100060219 /nfs/dbraw/zinc/06/02/19/1100060219.db2.gz FUACPJBZOQKZQQ-VURMDHGXSA-N -1 0 351.362 4.084 20 30 FIEDRM CO[C@H](C)c1nc(=Nc2cccc(Oc3ccc(C#N)cc3)c2)s[n-]1 ZINC000509699258 1100072209 /nfs/dbraw/zinc/07/22/09/1100072209.db2.gz OIJZIEVNRHTMAT-GFCCVEGCSA-N -1 0 352.419 4.075 20 30 FIEDRM N#CC(=C([O-])c1cc(F)cc([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 ZINC000517570897 1100506719 /nfs/dbraw/zinc/50/67/19/1100506719.db2.gz YNYMPLVXFZPCFR-OAHLLOKOSA-N -1 0 367.361 4.347 20 30 FIEDRM Cc1ccc(C(=O)CCC(=O)[N-]S(=O)(=O)c2ccccc2Cl)s1 ZINC000048578492 1101268333 /nfs/dbraw/zinc/26/83/33/1101268333.db2.gz ALHIIIFCFKDMST-UHFFFAOYSA-N -1 0 371.867 4.018 20 30 FIEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C#N)cc2)c(C)o1 ZINC000537348431 1101684194 /nfs/dbraw/zinc/68/41/94/1101684194.db2.gz CJGHRHBKEOKREP-UHFFFAOYSA-N -1 0 368.414 4.361 20 30 FIEDRM N#Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccoc3)cc2Cl)cc1 ZINC000506660989 1101711626 /nfs/dbraw/zinc/71/16/26/1101711626.db2.gz DEVSYHPWECDHDC-UHFFFAOYSA-N -1 0 374.805 4.398 20 30 FIEDRM N#CCc1ccccc1S(=O)(=O)[N-]c1ccccc1Oc1ccccc1 ZINC000475810881 1101926380 /nfs/dbraw/zinc/92/63/80/1101926380.db2.gz NRIJCKNKSIWWGX-UHFFFAOYSA-N -1 0 364.426 4.346 20 30 FIEDRM COC(=O)c1cccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)c1 ZINC000051534048 1102149175 /nfs/dbraw/zinc/14/91/75/1102149175.db2.gz NHHSORFQOBAWKM-MRXNPFEDSA-N -1 0 362.410 4.087 20 30 FIEDRM Cc1sc(-c2ccco2)nc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000122138750 1102531296 /nfs/dbraw/zinc/53/12/96/1102531296.db2.gz RPHQSLZIMOESEZ-GFCCVEGCSA-N -1 0 362.414 4.088 20 30 FIEDRM C[C@@H](Oc1cccc(C(=O)/C=C/c2cnc(C3CCC3)s2)c1)C(=O)[O-] ZINC000760263951 1102555106 /nfs/dbraw/zinc/55/51/06/1102555106.db2.gz IKDSRFYWNVUAJG-IDVQTMNDSA-N -1 0 357.431 4.159 20 30 FIEDRM N#Cc1c(Br)cccc1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000168379096 1102674171 /nfs/dbraw/zinc/67/41/71/1102674171.db2.gz AIQKFPJDDZMXGG-UHFFFAOYSA-N -1 0 351.587 4.416 20 30 FIEDRM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cnc(CC)s1 ZINC000473767029 1102704813 /nfs/dbraw/zinc/70/48/13/1102704813.db2.gz RSURWAANCFVWBQ-UHFFFAOYSA-N -1 0 350.509 4.358 20 30 FIEDRM CO[C@@H](C)c1nc(=Nc2ccc(Oc3ccc(C#N)cc3)cc2C)s[n-]1 ZINC000509669406 1103139111 /nfs/dbraw/zinc/13/91/11/1103139111.db2.gz UYHBTTLQBZFOQO-ZDUSSCGKSA-N -1 0 366.446 4.383 20 30 FIEDRM CO[C@H](C)c1nc(=Nc2ccc(Oc3ccc(C#N)cc3)cc2C)s[n-]1 ZINC000509669403 1103139414 /nfs/dbraw/zinc/13/94/14/1103139414.db2.gz UYHBTTLQBZFOQO-CYBMUJFWSA-N -1 0 366.446 4.383 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cnc([C@H]3CCCO3)s2)s1 ZINC000520484078 1104889363 /nfs/dbraw/zinc/88/93/63/1104889363.db2.gz JUDBRQIOYXROMM-WDEREUQCSA-N -1 0 361.492 4.239 20 30 FIEDRM C=CCOc1cccc(NC(=O)N(CC(=O)[O-])[C@@H](CC)c2ccccc2)c1 ZINC000520489757 1104923808 /nfs/dbraw/zinc/92/38/08/1104923808.db2.gz NDKLXWOMVALGPJ-IBGZPJMESA-N -1 0 368.433 4.321 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3scnc3C)n2)cc1 ZINC000121508953 1108272574 /nfs/dbraw/zinc/27/25/74/1108272574.db2.gz NMMDOWMABLLYRC-ZDUSSCGKSA-N -1 0 355.444 4.074 20 30 FIEDRM Cc1nnc(-c2cccc(C([O-])=C(C#N)c3nc4ccccc4s3)c2)o1 ZINC000531867742 1108294975 /nfs/dbraw/zinc/29/49/75/1108294975.db2.gz JEXSDPCZQOXVIR-AWEZNQCLSA-N -1 0 360.398 4.145 20 30 FIEDRM CC(C)Cn1cc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C(F)F)n1 ZINC000453616904 1108661954 /nfs/dbraw/zinc/66/19/54/1108661954.db2.gz HNCPMLIZVHCQHZ-NSHDSACASA-N -1 0 358.348 4.108 20 30 FIEDRM CCOc1cccc(CCC(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)c1 ZINC000528913249 1110148788 /nfs/dbraw/zinc/14/87/88/1110148788.db2.gz MEQRBQXLYCUNPA-LJQANCHMSA-N -1 0 374.440 4.399 20 30 FIEDRM Cc1ccccc1SCC(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000042258354 1112953869 /nfs/dbraw/zinc/95/38/69/1112953869.db2.gz UQUJBYPAOPXJPG-UHFFFAOYSA-N -1 0 361.897 4.147 20 30 FIEDRM CCc1ncsc1C([O-])=C(C#N)c1nc(-c2ccc(OC)cc2)cs1 ZINC000160575770 1113411129 /nfs/dbraw/zinc/41/11/29/1113411129.db2.gz CHOXVUOHYYUSRI-CYBMUJFWSA-N -1 0 369.471 4.328 20 30 FIEDRM Cc1nc(-c2ccccc2)ncc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000483204600 1113462460 /nfs/dbraw/zinc/46/24/60/1113462460.db2.gz RYSRHMGCEOKTSB-IBGZPJMESA-N -1 0 364.408 4.490 20 30 FIEDRM Cc1cc(C(=O)[C@H](C#N)c2nccc3ccccc32)c2cnn(C(C)C)c2n1 ZINC000483189563 1113463213 /nfs/dbraw/zinc/46/32/13/1113463213.db2.gz CDKSLTROQRAOMG-GOSISDBHSA-N -1 0 369.428 4.359 20 30 FIEDRM Cc1ccc(-c2nc(C([O-])=C(C#N)c3nccc4ccccc43)cs2)n1C ZINC000483207930 1113465485 /nfs/dbraw/zinc/46/54/85/1113465485.db2.gz WCJUZADASNFESS-MRXNPFEDSA-N -1 0 372.453 4.495 20 30 FIEDRM Cn1c2ccccc2c(Cl)c1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000483234578 1113468373 /nfs/dbraw/zinc/46/83/73/1113468373.db2.gz KKOBAGQXUGZXOC-CYBMUJFWSA-N -1 0 360.804 4.265 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nccc3ccccc32)nn1-c1cccc(F)c1 ZINC000483239339 1113469605 /nfs/dbraw/zinc/46/96/05/1113469605.db2.gz SBLJZKAGNWQDHP-IBGZPJMESA-N -1 0 370.387 4.358 20 30 FIEDRM N#Cc1cc(O)cc(C(=O)N[C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000587110515 1114413881 /nfs/dbraw/zinc/41/38/81/1114413881.db2.gz GWOLSZJKXUYSOX-ROUUACIJSA-N -1 0 374.362 4.349 20 30 FIEDRM N#CC(=C([O-])c1ccc(Oc2ccccc2)cn1)c1cnc2ccccc2n1 ZINC000571743537 1114501969 /nfs/dbraw/zinc/50/19/69/1114501969.db2.gz MMODEFMOFVPGAP-QGZVFWFLSA-N -1 0 366.380 4.307 20 30 FIEDRM O=C(CCCc1c[nH]c2ccccc12)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000045100050 1114560750 /nfs/dbraw/zinc/56/07/50/1114560750.db2.gz JJNQYQSJXDCERK-UHFFFAOYSA-N -1 0 374.437 4.116 20 30 FIEDRM Cc1cc2c[nH]nc2c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c1 ZINC000588349123 1114576575 /nfs/dbraw/zinc/57/65/75/1114576575.db2.gz XKNJDBKQMUUHKW-ZDUSSCGKSA-N -1 0 365.343 4.106 20 30 FIEDRM Cc1ccc(Cl)c2ccc([N-]S(=O)(=O)c3cccc(CC#N)c3)nc12 ZINC000589588706 1114813846 /nfs/dbraw/zinc/81/38/46/1114813846.db2.gz DYYOBIPWCKQMBN-UHFFFAOYSA-N -1 0 371.849 4.064 20 30 FIEDRM O=C(CCc1ccc(F)cc1)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000058034539 1115073382 /nfs/dbraw/zinc/07/33/82/1115073382.db2.gz HKDKBKAOJUMSFE-UHFFFAOYSA-N -1 0 359.422 4.032 20 30 FIEDRM N#Cc1ccc(Oc2ccc(NC(=O)CC3(CC(=O)[O-])CCC3)cc2)cc1 ZINC000591531319 1115098328 /nfs/dbraw/zinc/09/83/28/1115098328.db2.gz QMINCOGEGMBTHI-UHFFFAOYSA-N -1 0 364.401 4.324 20 30 FIEDRM C[C@H]1CCc2sc(NC(=O)CC3(CC(=O)[O-])CCC3)c(C#N)c2[C@H]1C ZINC000591531461 1115098368 /nfs/dbraw/zinc/09/83/68/1115098368.db2.gz VLPLOXMXPMOFJH-RYUDHWBXSA-N -1 0 360.479 4.279 20 30 FIEDRM CC(C)Oc1ccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cn1 ZINC000592974409 1115272657 /nfs/dbraw/zinc/27/26/57/1115272657.db2.gz WMOLUNIVMTVFKC-CYBMUJFWSA-N -1 0 355.394 4.108 20 30 FIEDRM Cc1ccc(-c2n[n-]c(=NCc3cccc(OCCCC#N)c3)o2)c(C)c1 ZINC000574093100 1115289764 /nfs/dbraw/zinc/28/97/64/1115289764.db2.gz BTCOSPHQZVIHAZ-UHFFFAOYSA-N -1 0 362.433 4.070 20 30 FIEDRM CC(C)(C#N)c1ccc(S(=O)(=O)[N-]c2cccc3c2OC(C)(C)C3)cc1 ZINC000593211906 1115307192 /nfs/dbraw/zinc/30/71/92/1115307192.db2.gz NBGVVXHDQGQVRW-UHFFFAOYSA-N -1 0 370.474 4.002 20 30 FIEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/C2CCC(O)(c3ccccc3)CC2)c1[O-] ZINC000761015905 1115313723 /nfs/dbraw/zinc/31/37/23/1115313723.db2.gz RXFDMHICSWWMLX-CIAFOILYSA-N -1 0 374.824 4.203 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc(C(=O)OC(C)(C)C)nc2)n1 ZINC000593462553 1115328168 /nfs/dbraw/zinc/32/81/68/1115328168.db2.gz WNTAJKPYCCJWEB-ZDUSSCGKSA-N -1 0 371.462 4.107 20 30 FIEDRM O=C(CCC1CCCC1)[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000046709036 1115494370 /nfs/dbraw/zinc/49/43/70/1115494370.db2.gz SEUVBHGHSFNCKA-UHFFFAOYSA-N -1 0 360.273 4.065 20 30 FIEDRM Cc1ccc2c(CC(=O)[N-]S(=O)(=O)c3ccc(C)c(C)c3)coc2c1 ZINC000046929892 1115547366 /nfs/dbraw/zinc/54/73/66/1115547366.db2.gz RCIDCKHRQGBJQR-UHFFFAOYSA-N -1 0 357.431 4.246 20 30 FIEDRM O=C(Cc1ccc2ccccc2c1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000046928901 1115549458 /nfs/dbraw/zinc/54/94/58/1115549458.db2.gz ABJBXALCSQZZJG-UHFFFAOYSA-N -1 0 365.863 4.443 20 30 FIEDRM COc1cc(/C=C2\CCc3ccc(Cl)cc3C2=O)ccc1OCC(=O)[O-] ZINC000761206645 1115622167 /nfs/dbraw/zinc/62/21/67/1115622167.db2.gz QIQKSODMJIFDGI-RIYZIHGNSA-N -1 0 372.804 4.025 20 30 FIEDRM C[C@@H](Oc1cccc(/C=C2/CCc3ccc(Cl)cc3C2=O)c1)C(=O)[O-] ZINC000761206757 1115625623 /nfs/dbraw/zinc/62/56/23/1115625623.db2.gz RPYFVXUNYFOIII-CDCQXCROSA-N -1 0 356.805 4.404 20 30 FIEDRM CC1(C)CC(N=Nc2ccc(Cl)c(C(=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000761254584 1115706301 /nfs/dbraw/zinc/70/63/01/1115706301.db2.gz QFFJOROZWFYWNU-UHFFFAOYSA-N -1 0 371.868 4.491 20 30 FIEDRM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1OC ZINC000669648711 1115717335 /nfs/dbraw/zinc/71/73/35/1115717335.db2.gz YOWVJJSJOGLFRB-UHFFFAOYSA-N -1 0 351.855 4.268 20 30 FIEDRM N#C[C@H](C(=O)c1cccc(OCC(F)(F)F)n1)c1ccc2ccccc2n1 ZINC000607010048 1115989526 /nfs/dbraw/zinc/98/95/26/1115989526.db2.gz ZKGYCEARDFSVMW-ZDUSSCGKSA-N -1 0 371.318 4.061 20 30 FIEDRM Cc1ccc(Cc2cnc(NC(=O)c3ccc(C#N)c([O-])c3)s2)cc1F ZINC000442716746 1116285330 /nfs/dbraw/zinc/28/53/30/1116285330.db2.gz COYWBIFKTJMKKN-UHFFFAOYSA-N -1 0 367.405 4.011 20 30 FIEDRM CC(C)c1c(C([O-])=C(C#N)c2nc3ccccc3o2)cnn1-c1ccccn1 ZINC000535375673 1116300916 /nfs/dbraw/zinc/30/09/16/1116300916.db2.gz UKHCMZSMJKZENJ-AWEZNQCLSA-N -1 0 371.400 4.022 20 30 FIEDRM CC(C)(C)Cc1csc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)n1 ZINC000539553205 1116344512 /nfs/dbraw/zinc/34/45/12/1116344512.db2.gz SGSOGUBDBIKGIT-UHFFFAOYSA-N -1 0 369.899 4.058 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)nn1[C@@H](C)C1CC1 ZINC000539644835 1116357080 /nfs/dbraw/zinc/35/70/80/1116357080.db2.gz GMRQEXQWLZNJCP-GXTWGEPZSA-N -1 0 350.447 4.262 20 30 FIEDRM O=C1[C@H](/N=C/c2cc(Cl)cc(Cl)c2[O-])CCN1C1CCCCC1 ZINC000130131456 1118041509 /nfs/dbraw/zinc/04/15/09/1118041509.db2.gz NOBUCYHOFLZGDP-IXJMWADBSA-N -1 0 355.265 4.052 20 30 FIEDRM CSc1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)ccc1F ZINC000464396419 1118544248 /nfs/dbraw/zinc/54/42/48/1118544248.db2.gz DOACWJLADPSEFN-NSHDSACASA-N -1 0 354.328 4.451 20 30 FIEDRM Cc1nn(-c2ccccc2)cc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464417782 1118548688 /nfs/dbraw/zinc/54/86/88/1118548688.db2.gz PTURCDISMITPQO-OAHLLOKOSA-N -1 0 370.334 4.085 20 30 FIEDRM Cc1nn(-c2ccccc2)cc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464417781 1118548795 /nfs/dbraw/zinc/54/87/95/1118548795.db2.gz PTURCDISMITPQO-HNNXBMFYSA-N -1 0 370.334 4.085 20 30 FIEDRM CCCc1nc(C)c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)s1 ZINC000464465185 1118571917 /nfs/dbraw/zinc/57/19/17/1118571917.db2.gz FWWPVCRBHXYFIX-LLVKDONJSA-N -1 0 353.369 4.308 20 30 FIEDRM CC[C@@H](C)n1nc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cc1C ZINC000464466919 1118572392 /nfs/dbraw/zinc/57/23/92/1118572392.db2.gz MIFNNNSSLHBDSV-ZWNOBZJWSA-N -1 0 350.344 4.066 20 30 FIEDRM CSc1c(F)cc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1F ZINC000542235731 1118855497 /nfs/dbraw/zinc/85/54/97/1118855497.db2.gz QKZASRYZUXDHQY-UHFFFAOYSA-N -1 0 374.821 4.013 20 30 FIEDRM CC(C)n1nccc1C([O-])=C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000151955374 1119026284 /nfs/dbraw/zinc/02/62/84/1119026284.db2.gz YPGWPJVSXSGWKJ-LLVKDONJSA-N -1 0 372.400 4.356 20 30 FIEDRM CCCOc1ccc(C(=O)/C=C\c2cccc(O[C@H](C)C(=O)[O-])c2)cc1 ZINC000211952179 1119232619 /nfs/dbraw/zinc/23/26/19/1119232619.db2.gz OGNDCPDQHZGSQI-WASHYIJTSA-N -1 0 354.402 4.223 20 30 FIEDRM C[C@@H](C(=O)[N-][C@@H](c1ccccc1OC(F)F)C(F)(F)F)C(F)(F)F ZINC000493307181 1119437794 /nfs/dbraw/zinc/43/77/94/1119437794.db2.gz VUMVAJXDOMNENS-RCOVLWMOSA-N -1 0 365.220 4.206 20 30 FIEDRM CC(C)Oc1cccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)n1 ZINC000123295042 1119542679 /nfs/dbraw/zinc/54/26/79/1119542679.db2.gz YOASHPCBBWWNAF-HNNXBMFYSA-N -1 0 363.442 4.482 20 30 FIEDRM CCc1nc(-c2ccc(C([O-])=C(C#N)c3nc4ccccc4s3)cc2)n[nH]1 ZINC000152969744 1119559021 /nfs/dbraw/zinc/55/90/21/1119559021.db2.gz NHHIOZCAADKADL-AWEZNQCLSA-N -1 0 373.441 4.134 20 30 FIEDRM CN(C)c1nc2sc(C([O-])=C(C#N)c3nc4ccccc4o3)cc2s1 ZINC000182873607 1119561836 /nfs/dbraw/zinc/56/18/36/1119561836.db2.gz IYNUJMGMXZOKOC-VIFPVBQESA-N -1 0 368.443 4.055 20 30 FIEDRM CCc1c(C([O-])=C(C#N)c2nc(C)cs2)cnn1-c1ccc(Cl)cc1 ZINC000187467231 1119784753 /nfs/dbraw/zinc/78/47/53/1119784753.db2.gz JGINSEAEZJGDEO-CQSZACIVSA-N -1 0 370.865 4.343 20 30 FIEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1C#N ZINC000031906221 1119865512 /nfs/dbraw/zinc/86/55/12/1119865512.db2.gz YJNWBAKHCFCMDU-UHFFFAOYSA-N -1 0 373.437 4.204 20 30 FIEDRM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000191570786 1119984976 /nfs/dbraw/zinc/98/49/76/1119984976.db2.gz QBKGKVSDVOEMBK-UHFFFAOYSA-N -1 0 360.435 4.248 20 30 FIEDRM CCc1c(C([O-])=C(C#N)c2nc3ccccc3o2)cnn1Cc1ccccc1 ZINC000193620564 1120168481 /nfs/dbraw/zinc/16/84/81/1120168481.db2.gz SAGOISPPPRFBRQ-MRXNPFEDSA-N -1 0 370.412 4.125 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)c2c(n1)onc2C(C)C ZINC000194375651 1120264751 /nfs/dbraw/zinc/26/47/51/1120264751.db2.gz ZIBVTXZMYIONGS-AWEZNQCLSA-N -1 0 373.416 4.031 20 30 FIEDRM O=C([O-])c1ccc(C(=O)/C=C\c2ccc(F)c(Br)c2)s1 ZINC000213232721 1120487028 /nfs/dbraw/zinc/48/70/28/1120487028.db2.gz USBNIVLXYYPWJC-RQOWECAXSA-N -1 0 355.184 4.244 20 30 FIEDRM C=C[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1)c1ccccc1 ZINC000761900331 1120570650 /nfs/dbraw/zinc/57/06/50/1120570650.db2.gz XXGDQGSOMWBBBR-KDOFPFPSSA-N -1 0 357.837 4.332 20 30 FIEDRM COc1ccccc1CCC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000193599606 1120977877 /nfs/dbraw/zinc/97/78/77/1120977877.db2.gz VXVGPDLWJODFGQ-KRWDZBQOSA-N -1 0 360.413 4.009 20 30 FIEDRM O=C([O-])CCOc1ccc(C=NNc2ccc(Cl)c(Cl)c2)cc1 ZINC000915933809 1121354585 /nfs/dbraw/zinc/35/45/85/1121354585.db2.gz JXIKPGIHODJHSK-UHFFFAOYSA-N -1 0 353.205 4.293 20 30 FIEDRM O=C([O-])CCOc1ccc(/C=C/C(=O)c2ccccc2C(F)(F)F)cc1 ZINC000915981854 1121362057 /nfs/dbraw/zinc/36/20/57/1121362057.db2.gz ZXFFIFWNQWAGGU-JXMROGBWSA-N -1 0 364.319 4.455 20 30 FIEDRM O=C([O-])CCOc1ccc(/C=C\C(=O)c2ccccc2C(F)(F)F)cc1 ZINC000915981863 1121362774 /nfs/dbraw/zinc/36/27/74/1121362774.db2.gz ZXFFIFWNQWAGGU-YFHOEESVSA-N -1 0 364.319 4.455 20 30 FIEDRM O=C([O-])CCOc1ccc(/C=C\C(=O)c2ccccc2OC(F)F)cc1 ZINC000915982551 1121363580 /nfs/dbraw/zinc/36/35/80/1121363580.db2.gz KBGFNSHQIPJRCT-YFHOEESVSA-N -1 0 362.328 4.038 20 30 FIEDRM Cc1cc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)cc(C)c1OC(F)F ZINC000915987710 1121366842 /nfs/dbraw/zinc/36/68/42/1121366842.db2.gz JJVJWUJGFQXJRM-VMPITWQZSA-N -1 0 360.356 4.428 20 30 FIEDRM CCOc1cc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)cc(Cl)c1OC ZINC000915987655 1121366918 /nfs/dbraw/zinc/36/69/18/1121366918.db2.gz HXUQGVKHPPTBPN-TWGQIWQCSA-N -1 0 374.820 4.271 20 30 FIEDRM O=C([O-])Cc1ccc(C(=O)/C=C\c2ccc(Br)s2)cc1 ZINC000915988418 1121368124 /nfs/dbraw/zinc/36/81/24/1121368124.db2.gz WDQCZKDKTBOJOQ-ALCCZGGFSA-N -1 0 351.221 4.034 20 30 FIEDRM CCOc1cccc2cc(C(=O)/C=C/c3ccc(OCC(=O)[O-])cc3)oc21 ZINC000916130568 1121420368 /nfs/dbraw/zinc/42/03/68/1121420368.db2.gz XARIRLIYBBYYNK-DHZHZOJOSA-N -1 0 366.369 4.191 20 30 FIEDRM N#CCCn1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)c2ccccc21 ZINC000916259352 1121453358 /nfs/dbraw/zinc/45/33/58/1121453358.db2.gz HJWWTIOQHUGWLF-UHFFFAOYSA-N -1 0 366.808 4.353 20 30 FIEDRM COc1cccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)c1OC(C)C ZINC000916259466 1121453475 /nfs/dbraw/zinc/45/34/75/1121453475.db2.gz IWHGKZNIMKNMEC-UHFFFAOYSA-N -1 0 362.813 4.280 20 30 FIEDRM COc1cc(/C=C\C(=O)c2cc(C)c(C)cc2C)ccc1OCCC(=O)[O-] ZINC000763370910 1121491151 /nfs/dbraw/zinc/49/11/51/1121491151.db2.gz XDSSQVSIGVOQBL-ALCCZGGFSA-N -1 0 368.429 4.370 20 30 FIEDRM COc1ccc([C@@H]2CCCCC2N=Nc2ccc(C(=O)[O-])cn2)cc1F ZINC000763372053 1121491857 /nfs/dbraw/zinc/49/18/57/1121491857.db2.gz POCRFXOYJLSRAI-AWEZNQCLSA-N -1 0 357.385 4.053 20 30 FIEDRM O=C([O-])COc1ccccc1C=NN(Cc1ccccc1)c1ccccc1 ZINC000916581782 1121555914 /nfs/dbraw/zinc/55/59/14/1121555914.db2.gz RWXGZDVHYUZYSQ-UHFFFAOYSA-N -1 0 360.413 4.191 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000916873341 1121905595 /nfs/dbraw/zinc/90/55/95/1121905595.db2.gz UGIIIDZKFPCCJZ-GOSISDBHSA-N -1 0 365.477 4.066 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2ccccc2F)o1 ZINC000916876289 1121906623 /nfs/dbraw/zinc/90/66/23/1121906623.db2.gz XAVJCSDMRRJRAN-OAHLLOKOSA-N -1 0 356.397 4.105 20 30 FIEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000916877642 1121907328 /nfs/dbraw/zinc/90/73/28/1121907328.db2.gz IMQUQLSMVBEDKV-SFHVURJKSA-N -1 0 365.477 4.066 20 30 FIEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2ccc(F)cc2)s1 ZINC000916877592 1121907412 /nfs/dbraw/zinc/90/74/12/1121907412.db2.gz VJNMUZJZNOBVAE-OAHLLOKOSA-N -1 0 358.438 4.183 20 30 FIEDRM N#CC(=C([O-])c1ccc(Cn2cccn2)o1)c1nc(-c2ccccc2)cs1 ZINC000917026523 1122011295 /nfs/dbraw/zinc/01/12/95/1122011295.db2.gz GCOKIOPXHPSQSR-INIZCTEOSA-N -1 0 374.425 4.138 20 30 FIEDRM CCc1nc(C)c(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)o1 ZINC000497364381 1122154454 /nfs/dbraw/zinc/15/44/54/1122154454.db2.gz OINHRYREUSQMDT-CQSZACIVSA-N -1 0 362.414 4.031 20 30 FIEDRM O=c1c2ccccc2[n-]c(=S)n1N=Cc1cc(-c2ccccc2)cs1 ZINC000917541418 1122347996 /nfs/dbraw/zinc/34/79/96/1122347996.db2.gz YIPSCBISFHJLCC-UHFFFAOYSA-N -1 0 363.467 4.296 20 30 FIEDRM C=C(Cl)COc1ccc(C(=O)/C=C/c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000917560737 1122353565 /nfs/dbraw/zinc/35/35/65/1122353565.db2.gz YAPXRGVTRAEIDQ-NYYWCZLTSA-N -1 0 372.804 4.177 20 30 FIEDRM [O-]c1c(Cl)cc(Cl)cc1C=Nc1ccccc1CN1CCOCC1 ZINC000917557333 1122361243 /nfs/dbraw/zinc/36/12/43/1122361243.db2.gz GQHHYUNRKYLFHL-UHFFFAOYSA-N -1 0 365.260 4.282 20 30 FIEDRM CCc1nc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)o1 ZINC000556886050 1123163900 /nfs/dbraw/zinc/16/39/00/1123163900.db2.gz JOLLCRWRBQEOSY-CQSZACIVSA-N -1 0 362.414 4.031 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCc1nc2ccccc2o1 ZINC000920101812 1123350341 /nfs/dbraw/zinc/35/03/41/1123350341.db2.gz JSBWTMTZRJCWRO-HNNXBMFYSA-N -1 0 371.396 4.142 20 30 FIEDRM CCc1ccc(OCC(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)cc1 ZINC000920102582 1123350783 /nfs/dbraw/zinc/35/07/83/1123350783.db2.gz WPHYBFKSLGZNPJ-GOSISDBHSA-N -1 0 360.413 4.009 20 30 FIEDRM CCOC(=O)[C@@H](Cc1ccccc1)/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000920174042 1123403551 /nfs/dbraw/zinc/40/35/51/1123403551.db2.gz JDJDYQOYVRKTIJ-BTZNOAQDSA-N -1 0 366.244 4.292 20 30 FIEDRM C[C@@H](Cc1cccc(Br)c1)/N=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000920479521 1123466906 /nfs/dbraw/zinc/46/69/06/1123466906.db2.gz PILXZUWJLNUPRS-TZQXVGBESA-N -1 0 363.211 4.113 20 30 FIEDRM O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(OCC(F)(F)F)cc1 ZINC000920480640 1123467338 /nfs/dbraw/zinc/46/73/38/1123467338.db2.gz LINDXJCTUSOMAH-XFSBKJJWSA-N -1 0 367.279 4.138 20 30 FIEDRM O=C([N-]Cc1ccc(F)cc1C(F)(F)F)C(F)(F)c1ccc(F)cc1 ZINC000920844346 1123527911 /nfs/dbraw/zinc/52/79/11/1123527911.db2.gz ZTGAWFMVILRAPF-UHFFFAOYSA-N -1 0 365.248 4.392 20 30 FIEDRM Cc1cc([N+](=O)[O-])ccc1C([O-])=C(C#N)c1nc2cc(F)ccc2s1 ZINC000609321504 1123538690 /nfs/dbraw/zinc/53/86/90/1123538690.db2.gz BFNYRZUMCNYAEC-CYBMUJFWSA-N -1 0 355.350 4.142 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H](C)Cc1cccc(F)c1 ZINC000921132973 1123568764 /nfs/dbraw/zinc/56/87/64/1123568764.db2.gz KMSDBNYGUDEZLQ-FZKQIMNGSA-N -1 0 362.404 4.386 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H](C)Cc1cccc(F)c1 ZINC000921132974 1123568839 /nfs/dbraw/zinc/56/88/39/1123568839.db2.gz KMSDBNYGUDEZLQ-SCLBCKFNSA-N -1 0 362.404 4.386 20 30 FIEDRM O=C([O-])c1ccc(C(=O)/C=C/c2ccc(OCC(F)(F)F)cc2)s1 ZINC000921266035 1123607374 /nfs/dbraw/zinc/60/73/74/1123607374.db2.gz VCRZOZCVVIZLRE-ZZXKWVIFSA-N -1 0 356.321 4.284 20 30 FIEDRM C[C@@H](C#N)CSc1ccccc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000609387844 1123699929 /nfs/dbraw/zinc/69/99/29/1123699929.db2.gz KAVMIIPLHCAWHL-AWEZNQCLSA-N -1 0 360.479 4.302 20 30 FIEDRM CC(C)(C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000064697073 1123918184 /nfs/dbraw/zinc/91/81/84/1123918184.db2.gz GXCKZMAIISPROB-UHFFFAOYSA-N -1 0 355.818 4.102 20 30 FIEDRM Cc1cc(Br)oc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000080453025 1123966384 /nfs/dbraw/zinc/96/63/84/1123966384.db2.gz SDGLKIWXOWAPGF-SECBINFHSA-N -1 0 353.241 4.421 20 30 FIEDRM N#CC(=C([O-])c1cc(C2CC2)[nH]n1)c1nc(-c2c(F)cccc2F)cs1 ZINC000068349443 1124190276 /nfs/dbraw/zinc/19/02/76/1124190276.db2.gz USNRXTPKMJUVBQ-SNVBAGLBSA-N -1 0 370.384 4.179 20 30 FIEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000180739056 1124418700 /nfs/dbraw/zinc/41/87/00/1124418700.db2.gz UCIJZTPYLOLJPM-QGZVFWFLSA-N -1 0 372.877 4.338 20 30 FIEDRM CC(C)Oc1cccc(CC(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000069282589 1124719675 /nfs/dbraw/zinc/71/96/75/1124719675.db2.gz ZRMWURJWRXUHHA-UHFFFAOYSA-N -1 0 373.883 4.077 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2cn(C)nc2-c2ccccc2)n1 ZINC000089239396 1124895674 /nfs/dbraw/zinc/89/56/74/1124895674.db2.gz FOWGCJBEYREXNU-AWEZNQCLSA-N -1 0 350.447 4.157 20 30 FIEDRM Cc1nn(C(C)(C)C)cc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000181499505 1124976159 /nfs/dbraw/zinc/97/61/59/1124976159.db2.gz XTAUKCWVWRNEEP-LBPRGKRZSA-N -1 0 371.391 4.181 20 30 FIEDRM O=C([N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)C1(c2ccccc2)CC1 ZINC000069571351 1124991533 /nfs/dbraw/zinc/99/15/33/1124991533.db2.gz AUQSHTWJNFLGSN-UHFFFAOYSA-N -1 0 369.364 4.082 20 30 FIEDRM CC(C)(C(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1ccccc1 ZINC000069604706 1125018344 /nfs/dbraw/zinc/01/83/44/1125018344.db2.gz SUCKKXJDBBGDNG-UHFFFAOYSA-N -1 0 371.380 4.328 20 30 FIEDRM O=C([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1(c2ccccc2)CC1 ZINC000069605133 1125019060 /nfs/dbraw/zinc/01/90/60/1125019060.db2.gz MYRHKTVNRWOZBP-UHFFFAOYSA-N -1 0 370.257 4.370 20 30 FIEDRM Cc1ccc(CCC(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000069622231 1125043603 /nfs/dbraw/zinc/04/36/03/1125043603.db2.gz ODWJCDQONRUUNV-UHFFFAOYSA-N -1 0 371.380 4.292 20 30 FIEDRM COc1cc(/C=C/C(=O)c2cc3ccccc3o2)ccc1OCCC(=O)[O-] ZINC000181674370 1125099964 /nfs/dbraw/zinc/09/99/64/1125099964.db2.gz BULNPVJSKDLQNZ-SOFGYWHQSA-N -1 0 366.369 4.191 20 30 FIEDRM Cc1nc(-c2ccccc2)sc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000181754481 1125130749 /nfs/dbraw/zinc/13/07/49/1125130749.db2.gz SRBARPPLFHGFMF-UHFFFAOYSA-N -1 0 369.471 4.099 20 30 FIEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000070029365 1125243792 /nfs/dbraw/zinc/24/37/92/1125243792.db2.gz JEDOYWDJYIMBKB-UHFFFAOYSA-N -1 0 362.838 4.018 20 30 FIEDRM N#CC(=C([O-])c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cn1 ZINC000041555603 211773360 /nfs/dbraw/zinc/77/33/60/211773360.db2.gz KJOAFUSUPWBLEA-LLVKDONJSA-N -1 0 369.686 4.152 20 30 FIEDRM Cc1[n-]n(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)c1CCC#N ZINC000601940091 567881386 /nfs/dbraw/zinc/88/13/86/567881386.db2.gz RHOYRAIUNNXRKZ-GFCCVEGCSA-N -1 0 363.261 4.367 20 30 FIEDRM N#Cc1csc(/C=C(\CCCC(=O)[O-])c2nc3ccccc3s2)n1 ZINC000569752237 568420085 /nfs/dbraw/zinc/42/00/85/568420085.db2.gz OKGWTRJNXZIMQF-DHZHZOJOSA-N -1 0 355.444 4.420 20 30 FIEDRM C=C[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccc2ccccc2c1)c1ccccc1 ZINC000431878302 939166875 /nfs/dbraw/zinc/16/68/75/939166875.db2.gz AIMSSCMAPIJMFM-ZHRRBRCNSA-N -1 0 359.425 4.442 20 30 FIEDRM CC(C)(C)OC(=O)N[C@](C)(C(=O)[O-])c1ccc(-c2cccc(C#N)c2)cc1 ZINC000863893181 939243320 /nfs/dbraw/zinc/24/33/20/939243320.db2.gz PVBKJGXMVZBJGU-NRFANRHFSA-N -1 0 366.417 4.050 20 30 FIEDRM N#Cc1ncc(Br)cc1Nc1cc(Cl)c([O-])c(Cl)c1 ZINC001210924977 1081851229 /nfs/dbraw/zinc/85/12/29/1081851229.db2.gz ZQLGBCDUPRAQHH-UHFFFAOYSA-N -1 0 359.010 4.472 20 30 FIEDRM CCc1c(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccn1C ZINC000572568559 1125753582 /nfs/dbraw/zinc/75/35/82/1125753582.db2.gz ZCYJJRIIRDSNRS-MRXNPFEDSA-N -1 0 360.442 4.073 20 30 FIEDRM Cc1ccc(SCC(=O)[N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000042302255 1079807245 /nfs/dbraw/zinc/80/72/45/1079807245.db2.gz YYCWJIXAWXXEDN-UHFFFAOYSA-N -1 0 355.868 4.086 20 30 FIEDRM O=C(CCc1ccsc1)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000042315708 1079811761 /nfs/dbraw/zinc/81/17/61/1079811761.db2.gz WATFOPAGFAJSPH-UHFFFAOYSA-N -1 0 363.382 4.045 20 30 FIEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)c(Cl)cc1F ZINC000471137900 1079815800 /nfs/dbraw/zinc/81/58/00/1079815800.db2.gz XAOWMKLKBWCMJB-UHFFFAOYSA-N -1 0 366.845 4.390 20 30 FIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2CC(F)(F)F)c1 ZINC000187002267 1079851307 /nfs/dbraw/zinc/85/13/07/1079851307.db2.gz QBRBANJCUIWILI-UHFFFAOYSA-N -1 0 374.771 4.117 20 30 FIEDRM Cc1cccc(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)c1F ZINC000180510473 1080505864 /nfs/dbraw/zinc/50/58/64/1080505864.db2.gz JNLWMXRMJQLYGD-ZDUSSCGKSA-N -1 0 364.467 4.329 20 30 FIEDRM CC(=O)c1cccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c1 ZINC000543986091 1080567383 /nfs/dbraw/zinc/56/73/83/1080567383.db2.gz IVMADVRNZWFPHP-CQSZACIVSA-N -1 0 353.328 4.124 20 30 FIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cnn4c3CCCC4)n2)cc1 ZINC000533545904 1080581714 /nfs/dbraw/zinc/58/17/14/1080581714.db2.gz FZWKZCDCFPRFKQ-OAHLLOKOSA-N -1 0 362.458 4.141 20 30 FIEDRM Cn1cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)c(C(F)F)n1 ZINC000533631652 1081120609 /nfs/dbraw/zinc/12/06/09/1081120609.db2.gz STJDMGGVZYGLNU-QMMMGPOBSA-N -1 0 366.780 4.111 20 30 FIEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000216142639 1081128347 /nfs/dbraw/zinc/12/83/47/1081128347.db2.gz BWFVNSBWXLQLMP-UHFFFAOYSA-N -1 0 360.744 4.031 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)COc1ccc(C)cc1C ZINC000121025980 1081214446 /nfs/dbraw/zinc/21/44/46/1081214446.db2.gz NEXGKPLFEHCBBE-KRWDZBQOSA-N -1 0 360.413 4.064 20 30 FIEDRM COc1ccc(CCC(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)cc1 ZINC000121032263 1081219739 /nfs/dbraw/zinc/21/97/39/1081219739.db2.gz BYAWDHNWGFCWHW-GOSISDBHSA-N -1 0 360.413 4.009 20 30 FIEDRM C=CCC[C@H](NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655873196 1081287111 /nfs/dbraw/zinc/28/71/11/1081287111.db2.gz TZEPCAUTIQNWBS-SPUZQDLCSA-N -1 0 358.482 4.129 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1coc(Br)c1 ZINC000121062508 1081335743 /nfs/dbraw/zinc/33/57/43/1081335743.db2.gz CQNLSZWTQLYYPM-GFCCVEGCSA-N -1 0 371.190 4.037 20 30 FIEDRM Cc1[nH]c2ccccc2c1CC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000121072056 1081364550 /nfs/dbraw/zinc/36/45/50/1081364550.db2.gz SHVJTKWUGKPINJ-GOSISDBHSA-N -1 0 369.424 4.400 20 30 FIEDRM N#CC(=C([O-])c1nccs1)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000683689749 1081386867 /nfs/dbraw/zinc/38/68/67/1081386867.db2.gz LYXLEDMLPBDEST-MRVPVSSYSA-N -1 0 353.350 4.262 20 30 FIEDRM O=C(C(=NN=Cc1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1)c1ccccc1 ZINC000748132746 1081471413 /nfs/dbraw/zinc/47/14/13/1081471413.db2.gz ZQAVTAKGLFYVHG-UHFFFAOYSA-N -1 0 373.368 4.007 20 30 FIEDRM CCCCOc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])c([O-])c2)cc1OC ZINC000748146252 1081584684 /nfs/dbraw/zinc/58/46/84/1081584684.db2.gz GSOBIQPNJMCGCH-TWGQIWQCSA-N -1 0 371.389 4.384 20 30 FIEDRM C[C@H]1CCN(c2cc(C([O-])=C(C#N)c3nc4ccccc4s3)ccn2)C1 ZINC000548134695 1082141505 /nfs/dbraw/zinc/14/15/05/1082141505.db2.gz MQJICEYFZWFAIY-DZGCQCFKSA-N -1 0 362.458 4.028 20 30 FIEDRM CCc1c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cnn1C(C)(C)C ZINC000430586164 1082529058 /nfs/dbraw/zinc/52/90/58/1082529058.db2.gz SEBFMMFQAQKSBR-GFCCVEGCSA-N -1 0 358.511 4.445 20 30 FIEDRM CC(=O)Nc1ccc(C)c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430587245 1082532770 /nfs/dbraw/zinc/53/27/70/1082532770.db2.gz YQJHFDHBIKNUQO-OAHLLOKOSA-N -1 0 355.463 4.198 20 30 FIEDRM CCOc1ccc(CCC(=O)[N-]S(=O)(=O)[C@@H](C)c2ccccc2)cc1 ZINC000077879462 1082797512 /nfs/dbraw/zinc/79/75/12/1082797512.db2.gz QPJJUFSBBNBNAM-HNNXBMFYSA-N -1 0 361.463 4.065 20 30 FIEDRM C[C@H](CSc1ccccc1)C(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000077880410 1082797757 /nfs/dbraw/zinc/79/77/57/1082797757.db2.gz XQPPMAOBMBOVSW-CABCVRRESA-N -1 0 363.504 4.462 20 30 FIEDRM CC(C)[C@H]1CCc2c(C#N)c(NC(=O)c3ocnc3C3CC3)sc2C1 ZINC000581772090 1082891817 /nfs/dbraw/zinc/89/18/17/1082891817.db2.gz KMBWQKOHGBGJLI-LBPRGKRZSA-N -1 0 355.463 4.498 20 30 FIEDRM CCC(CC)n1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)n1 ZINC000431131170 1083345367 /nfs/dbraw/zinc/34/53/67/1083345367.db2.gz ZDOBUXSPTOSKKS-ZDUSSCGKSA-N -1 0 371.391 4.479 20 30 FIEDRM N#CCCC[C@@H](NC(=O)CC1(C(=O)[O-])CCCCCC1)c1ccccc1 ZINC000431153876 1083356946 /nfs/dbraw/zinc/35/69/46/1083356946.db2.gz WQUPDSMVXISPAC-GOSISDBHSA-N -1 0 356.466 4.353 20 30 FIEDRM CC(C)NC(=O)Nc1cccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1 ZINC000647377186 1083365017 /nfs/dbraw/zinc/36/50/17/1083365017.db2.gz WBAUCOUWZDZLQD-HNNXBMFYSA-N -1 0 368.462 4.040 20 30 FIEDRM Cc1nc(-c2ccccc2)ncc1C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000647378156 1083368489 /nfs/dbraw/zinc/36/84/89/1083368489.db2.gz ABYALPFOMCGRAL-HNNXBMFYSA-N -1 0 360.442 4.276 20 30 FIEDRM Cc1ccc(-c2nc(C([O-])=C(C#N)c3nc(C4CC4)cs3)cs2)n1C ZINC000647378660 1083369032 /nfs/dbraw/zinc/36/90/32/1083369032.db2.gz OSANCYQZMHWNFA-LBPRGKRZSA-N -1 0 368.487 4.281 20 30 FIEDRM O=C([O-])CCOc1ccc(/C=C\C(=O)c2cccc(-c3ccncc3)c2)cc1 ZINC000255866781 1083829521 /nfs/dbraw/zinc/82/95/21/1083829521.db2.gz NBMYYNNAVHLWCN-TWGQIWQCSA-N -1 0 373.408 4.498 20 30 FIEDRM CSc1cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)ccn1 ZINC000181424767 1083910765 /nfs/dbraw/zinc/91/07/65/1083910765.db2.gz OGKAOBIDXHHRLR-CQSZACIVSA-N -1 0 351.456 4.417 20 30 FIEDRM N#CC(=C([O-])c1cccc(C#N)n1)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000685784320 1083915307 /nfs/dbraw/zinc/91/53/07/1083915307.db2.gz ZAGDWQFKQXUNCW-LLVKDONJSA-N -1 0 372.331 4.072 20 30 FIEDRM CC(C)(C#N)c1ccc(NC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)cc1 ZINC000236687720 1083970595 /nfs/dbraw/zinc/97/05/95/1083970595.db2.gz QGLPRRIWQIXHEH-NRFANRHFSA-N -1 0 356.466 4.488 20 30 FIEDRM COc1ccc(C/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1OC1CCCC1 ZINC000728438187 1084144002 /nfs/dbraw/zinc/14/40/02/1084144002.db2.gz QFUJWNAABBJPNM-FYJGNVAPSA-N -1 0 370.405 4.250 20 30 FIEDRM COc1cc(/C=C\C(=O)c2ccc([O-])c(F)c2)ccc1OCC(F)(F)F ZINC000728439229 1084161949 /nfs/dbraw/zinc/16/19/49/1084161949.db2.gz YNCHIBSUUXARHR-DJWKRKHSSA-N -1 0 370.298 4.377 20 30 FIEDRM CCOc1cc(/C=C\C(=O)c2ccc([O-])c(F)c2)ccc1OC(F)F ZINC000728438485 1084171406 /nfs/dbraw/zinc/17/14/06/1084171406.db2.gz GFSOGIBRSHJUDZ-UTCJRWHESA-N -1 0 352.308 4.428 20 30 FIEDRM Cc1cc(C(C#N)=C([O-])c2csc(-c3ccc(Cl)s3)n2)nc(C)n1 ZINC000066506424 1084570479 /nfs/dbraw/zinc/57/04/79/1084570479.db2.gz NVPPGZKLSYQZGK-SNVBAGLBSA-N -1 0 374.878 4.422 20 30 FIEDRM N#CC(=C([O-])c1noc2c1CCCC2)c1nc2cc(Cl)ccc2s1 ZINC000613407472 1084706043 /nfs/dbraw/zinc/70/60/43/1084706043.db2.gz UMTIZDURXCXUHQ-LLVKDONJSA-N -1 0 357.822 4.307 20 30 FIEDRM N#CC(=C([O-])C=Cc1ccc2c(c1)OCO2)c1nc(-c2ccccc2)cs1 ZINC000051533228 1084785604 /nfs/dbraw/zinc/78/56/04/1084785604.db2.gz VSWKRHYNFPXYQR-IQIBNGDESA-N -1 0 374.421 4.428 20 30 FIEDRM O=C(Nc1ccccc1C#Cc1ccccc1)c1cc(=O)c2ccccc2[n-]1 ZINC000472205745 1084815690 /nfs/dbraw/zinc/81/56/90/1084815690.db2.gz HOPOHIVQRVFOMD-UHFFFAOYSA-N -1 0 364.404 4.180 20 30 FIEDRM N#CC(=C([O-])C=Cc1ccncn1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000588539175 1085386897 /nfs/dbraw/zinc/38/68/97/1085386897.db2.gz NPJODRIHMBACPF-IYKSTZQJSA-N -1 0 366.833 4.143 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccccc2Oc2cnn(C)c2)n1 ZINC000549540614 1085502136 /nfs/dbraw/zinc/50/21/36/1085502136.db2.gz QIGGIQGLKBWJDK-OAHLLOKOSA-N -1 0 366.446 4.282 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(SC(F)F)cc1 ZINC000125659500 1086113857 /nfs/dbraw/zinc/11/38/57/1086113857.db2.gz QMGIWZZQINJGKF-CQSZACIVSA-N -1 0 354.422 4.020 20 30 FIEDRM Cc1c2cc(Cl)ccc2oc1C([O-])=C(C#N)C(=O)NCc1ccccc1 ZINC000126741889 1086651999 /nfs/dbraw/zinc/65/19/99/1086651999.db2.gz KJLHKYGTRNHEGW-MRXNPFEDSA-N -1 0 366.804 4.034 20 30 FIEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cnccc1-c1ccccc1 ZINC000432359717 1086658412 /nfs/dbraw/zinc/65/84/12/1086658412.db2.gz UFUFHBFWHZAQPL-UHFFFAOYSA-N -1 0 369.833 4.074 20 30 FIEDRM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C1(c2ccc(F)cc2)CCC1 ZINC000077881924 1086722696 /nfs/dbraw/zinc/72/26/96/1086722696.db2.gz IIAPMERXHRRLLA-AWEZNQCLSA-N -1 0 361.438 4.295 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cnc(-c3ccccn3)s2)s1 ZINC000583542164 1086780615 /nfs/dbraw/zinc/78/06/15/1086780615.db2.gz YLDUVMPVYITVTJ-NSHDSACASA-N -1 0 368.487 4.449 20 30 FIEDRM N#Cc1ccc([O-])c(NC(=O)Cc2csc(-c3ccccc3Cl)n2)c1 ZINC000176824487 1087281189 /nfs/dbraw/zinc/28/11/89/1087281189.db2.gz YRDPVFXAIGYANW-UHFFFAOYSA-N -1 0 369.833 4.222 20 30 FIEDRM COc1c(Br)ccc(Nc2ccc(C(=O)[O-])cc2C)c1C#N ZINC001211628903 1087713350 /nfs/dbraw/zinc/71/33/50/1087713350.db2.gz MTDBEGHFEIIOEU-UHFFFAOYSA-N -1 0 361.195 4.080 20 30 FIEDRM N#Cc1cnccc1/C=C/c1cccc(OCc2ccccc2C(=O)[O-])c1 ZINC000504710633 1087792037 /nfs/dbraw/zinc/79/20/37/1087792037.db2.gz DIQXFRPFKPISAC-CMDGGOBGSA-N -1 0 356.381 4.401 20 30 FIEDRM N#CC(=C([O-])c1ccc(Br)s1)c1nc(C2CC2)cs1 ZINC000647375052 1087793972 /nfs/dbraw/zinc/79/39/72/1087793972.db2.gz QYGYQXXEDPCELB-QMMMGPOBSA-N -1 0 353.266 4.335 20 30 FIEDRM Cc1noc(-c2ccccc2C([O-])=C(C#N)c2nc3ccccc3s2)n1 ZINC000505312038 1088345385 /nfs/dbraw/zinc/34/53/85/1088345385.db2.gz ODBJDPKQKHBFPK-AWEZNQCLSA-N -1 0 360.398 4.145 20 30 FIEDRM CCc1cncc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000434624392 1088891767 /nfs/dbraw/zinc/89/17/67/1088891767.db2.gz PRUZMXUOMVBTJX-KRWDZBQOSA-N -1 0 358.426 4.129 20 30 FIEDRM C=CCC[C@@H](NC(=O)N(C)CCCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000414635017 1088912654 /nfs/dbraw/zinc/91/26/54/1088912654.db2.gz ZIMNXSYNGXINOP-OAHLLOKOSA-N -1 0 372.387 4.219 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2csc(N3CCCCC3)n2)n1 ZINC000892801548 1089092625 /nfs/dbraw/zinc/09/26/25/1089092625.db2.gz JPFAFMBXKFHJEY-GFCCVEGCSA-N -1 0 360.508 4.203 20 30 FIEDRM COc1ccccc1-c1cccc([N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000435491289 1089704362 /nfs/dbraw/zinc/70/43/62/1089704362.db2.gz SLZFXZLZOCYNKA-UHFFFAOYSA-N -1 0 370.455 4.096 20 30 FIEDRM Cc1c(COC(C)(C)C)cccc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435493562 1089706283 /nfs/dbraw/zinc/70/62/83/1089706283.db2.gz JELZAKMZINLYLK-UHFFFAOYSA-N -1 0 364.492 4.044 20 30 FIEDRM CC(C)(CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)C(=O)[O-] ZINC000236801019 1089922695 /nfs/dbraw/zinc/92/26/95/1089922695.db2.gz UVIPQVQLKUOVMC-UHFFFAOYSA-N -1 0 372.808 4.443 20 30 FIEDRM CCc1c(C([O-])=C(C#N)c2nc3ccccc3o2)cnn1-c1ccc(F)cc1 ZINC000041539828 1090239518 /nfs/dbraw/zinc/23/95/18/1090239518.db2.gz CLDJLPVPODFIBH-HNNXBMFYSA-N -1 0 374.375 4.205 20 30 FIEDRM C=CCc1cc(CNc2ccc(CCCC(=O)[O-])cc2)cc(OC)c1O ZINC000417579509 1090931016 /nfs/dbraw/zinc/93/10/16/1090931016.db2.gz AUAGKSOIWUPDKS-UHFFFAOYSA-N -1 0 355.434 4.149 20 30 FIEDRM COCCSc1ccc([C@@H](C)/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000728785701 1091076375 /nfs/dbraw/zinc/07/63/75/1091076375.db2.gz OJTLFDMHIIDJMD-KZKLBEMASA-N -1 0 360.435 4.219 20 30 FIEDRM Cc1nc(-c2ccc(C/N=C/c3cc([N+](=O)[O-])ccc3[O-])cc2)cs1 ZINC000015149665 1091471777 /nfs/dbraw/zinc/47/17/77/1091471777.db2.gz XNNYWZXRHIRSNO-VXLYETTFSA-N -1 0 353.403 4.351 20 30 FIEDRM O=C(CC(F)(F)F)[N-][C@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000182384264 1092231034 /nfs/dbraw/zinc/23/10/34/1092231034.db2.gz PQETYKYUFLZYKR-SECBINFHSA-N -1 0 353.184 4.377 20 30 FIEDRM Cc1ccc([N+](=O)[O-])c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c1 ZINC000442672735 1092715506 /nfs/dbraw/zinc/71/55/06/1092715506.db2.gz JRKFLWVIHYMXJH-GFCCVEGCSA-N -1 0 370.315 4.138 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)cc1[O-] ZINC000442818796 1092788766 /nfs/dbraw/zinc/78/87/66/1092788766.db2.gz IXGBNIRWNMTHAS-UHFFFAOYSA-N -1 0 355.825 4.160 20 30 FIEDRM N#Cc1cc(NC(=O)c2ccc([O-])c(Cl)c2)ccc1OC(F)(F)F ZINC000442946012 1092880424 /nfs/dbraw/zinc/88/04/24/1092880424.db2.gz SVLXQKRFPAVXIH-UHFFFAOYSA-N -1 0 356.687 4.068 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2ccccc2-c2c(F)cccc2F)cc1[O-] ZINC000442992668 1092902130 /nfs/dbraw/zinc/90/21/30/1092902130.db2.gz WKVQSRSOOJICRP-UHFFFAOYSA-N -1 0 350.324 4.461 20 30 FIEDRM C=C[C@H](CC(=O)Nc1ccc(OCCCC(=O)[O-])cc1)c1ccccc1 ZINC000191080123 1092985884 /nfs/dbraw/zinc/98/58/84/1092985884.db2.gz XCHYNVUVJJJSEY-MRXNPFEDSA-N -1 0 353.418 4.229 20 30 FIEDRM Cc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000473487142 1093549231 /nfs/dbraw/zinc/54/92/31/1093549231.db2.gz GNFCFSASWXCDOR-OAHLLOKOSA-N -1 0 358.426 4.281 20 30 FIEDRM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(C#N)ccc1OC(C)C ZINC000512959090 1093606771 /nfs/dbraw/zinc/60/67/71/1093606771.db2.gz TWAWSSOIMQBYQM-UHFFFAOYSA-N -1 0 364.854 4.108 20 30 FIEDRM N#CC(=C([O-])c1ccc(Br)o1)c1nc(-c2ccncc2)cs1 ZINC000114620073 1093659810 /nfs/dbraw/zinc/65/98/10/1093659810.db2.gz SMLVIICIWUDSLH-JTQLQIEISA-N -1 0 374.219 4.051 20 30 FIEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cc(Cl)cc(C(F)(F)F)c1 ZINC000322402218 1093897851 /nfs/dbraw/zinc/89/78/51/1093897851.db2.gz PJQGIMGYYWKAET-UHFFFAOYSA-N -1 0 360.744 4.031 20 30 FIEDRM O=C1c2ccc(Cl)c(Cl)c2C/C1=C\c1ccc([O-])c([N+](=O)[O-])c1 ZINC000729150429 1093934897 /nfs/dbraw/zinc/93/48/97/1093934897.db2.gz KEPLNLGZVQINMK-WEVVVXLNSA-N -1 0 350.157 4.430 20 30 FIEDRM CSc1ccc(C([O-])=C(C#N)c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000513652910 1094255599 /nfs/dbraw/zinc/25/55/99/1094255599.db2.gz CCSPTRRRIXHWRB-LLVKDONJSA-N -1 0 369.427 4.416 20 30 FIEDRM N#CC(=C([O-])c1cc2cc([N+](=O)[O-])ccc2o1)c1nc2ccccc2s1 ZINC000513667756 1094264674 /nfs/dbraw/zinc/26/46/74/1094264674.db2.gz WFGZDQSHBNVTIK-GFCCVEGCSA-N -1 0 363.354 4.441 20 30 FIEDRM Cc1oc(-c2ccccc2)nc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000513676199 1094268785 /nfs/dbraw/zinc/26/87/85/1094268785.db2.gz ARCANSQUQZTAHP-OAHLLOKOSA-N -1 0 356.385 4.027 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2csc(-c3ccc(F)c(F)c3)n2)n1 ZINC000182558585 1094788320 /nfs/dbraw/zinc/78/83/20/1094788320.db2.gz QLNBAYBXRYBIHQ-JTQLQIEISA-N -1 0 361.398 4.343 20 30 FIEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc4c(s3)CCCCCC4)nc1-2 ZINC000330262930 1095440525 /nfs/dbraw/zinc/44/05/25/1095440525.db2.gz VVYJLWPVKITUIF-AWEZNQCLSA-N -1 0 364.474 4.477 20 30 FIEDRM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3c(F)cc(C#N)cc3F)s2)c1 ZINC000151776077 1095949723 /nfs/dbraw/zinc/94/97/23/1095949723.db2.gz GYJBRWBRDSQPJY-UHFFFAOYSA-N -1 0 370.384 4.224 20 30 FIEDRM CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000504021597 1096640317 /nfs/dbraw/zinc/64/03/17/1096640317.db2.gz KPURPQZKZFZYJR-UHFFFAOYSA-N -1 0 364.854 4.190 20 30 FIEDRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436936190 1099449374 /nfs/dbraw/zinc/44/93/74/1099449374.db2.gz YPWOEUJNLYIMJM-YOEHRIQHSA-N -1 0 358.800 4.097 20 30 FIEDRM O=C([O-])COc1cccc(C(=O)/C=C/c2ccccc2C(F)(F)F)c1 ZINC000008322892 1099456112 /nfs/dbraw/zinc/45/61/12/1099456112.db2.gz FCQNHHYQCWJLEV-CMDGGOBGSA-N -1 0 350.292 4.065 20 30 FIEDRM CCCCOc1ccc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cc1OC ZINC000509690367 1099872226 /nfs/dbraw/zinc/87/22/26/1099872226.db2.gz GHVYLXPXWZZUOS-YVMONPNESA-N -1 0 352.390 4.009 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccccc2SC(C)C)n1 ZINC000517278192 1100242832 /nfs/dbraw/zinc/24/28/32/1100242832.db2.gz VLDFZIXXQFROSB-ZDUSSCGKSA-N -1 0 374.487 4.310 20 30 FIEDRM N#CC(=C([O-])c1cc(C2CCCCC2)[nH]n1)c1cc(C(F)(F)F)ccn1 ZINC000518152809 1100950995 /nfs/dbraw/zinc/95/09/95/1100950995.db2.gz BWBCRIDWSKVHFO-ZDUSSCGKSA-N -1 0 362.355 4.361 20 30 FIEDRM N#Cc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)c1 ZINC000506596529 1101512176 /nfs/dbraw/zinc/51/21/76/1101512176.db2.gz VAXFBUUNPVPSBK-UHFFFAOYSA-N -1 0 360.744 4.031 20 30 FIEDRM N#CC(=C([O-])c1conc1C1CC1)c1nc(-c2c(F)cccc2F)cs1 ZINC000518847257 1101634980 /nfs/dbraw/zinc/63/49/80/1101634980.db2.gz DKMYFVWVFGIREE-SNVBAGLBSA-N -1 0 371.368 4.444 20 30 FIEDRM C[C@@H](/N=C/c1cc(Br)cc(Br)c1[O-])c1ccc[nH]1 ZINC000760229066 1101887943 /nfs/dbraw/zinc/88/79/43/1101887943.db2.gz OERHEONYNRRQEK-RAKXPMKDSA-N -1 0 372.060 4.425 20 30 FIEDRM O=C(CCc1ccc2ccccc2c1)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000054428111 1102236700 /nfs/dbraw/zinc/23/67/00/1102236700.db2.gz KQZJGYHYDFCHLB-UHFFFAOYSA-N -1 0 371.433 4.398 20 30 FIEDRM Cc1ccc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)nc1 ZINC000126654812 1102426513 /nfs/dbraw/zinc/42/65/13/1102426513.db2.gz XNVHGUAIGSUHLG-LLVKDONJSA-N -1 0 355.369 4.282 20 30 FIEDRM Cc1nc(-c2ccccc2)sc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000122209289 1102546275 /nfs/dbraw/zinc/54/62/75/1102546275.db2.gz XANHHGUYXQOIBO-OAHLLOKOSA-N -1 0 372.453 4.495 20 30 FIEDRM Cc1onc(-c2ccccc2)c1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000122729348 1102617632 /nfs/dbraw/zinc/61/76/32/1102617632.db2.gz KERYQMPVYZOCPP-OAHLLOKOSA-N -1 0 356.385 4.027 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2cnn(-c3ccc(Cl)cc3Cl)c2)cc1[O-] ZINC000476642183 1102656516 /nfs/dbraw/zinc/65/65/16/1102656516.db2.gz ILOJAAVGVFEVLF-UHFFFAOYSA-N -1 0 373.199 4.009 20 30 FIEDRM Cc1cc(C(C#N)=C([O-])c2csc(-c3ccccc3Cl)n2)nc(C)n1 ZINC000067601372 1102990993 /nfs/dbraw/zinc/99/09/93/1102990993.db2.gz ZGLOPLHRFHWFEX-ZDUSSCGKSA-N -1 0 368.849 4.360 20 30 FIEDRM Cc1c(Cl)cccc1N=c1[n-]nc(Sc2ccncc2C#N)s1 ZINC000548151946 1102999882 /nfs/dbraw/zinc/99/98/82/1102999882.db2.gz QYYBWCUOQWEHIF-UHFFFAOYSA-N -1 0 359.867 4.083 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)o1 ZINC000519599750 1103295982 /nfs/dbraw/zinc/29/59/82/1103295982.db2.gz DQSPCTYQYRGADX-UHFFFAOYSA-N -1 0 356.428 4.103 20 30 FIEDRM Cc1nc(-c2ccc(NC(=O)NCC3CCC(C)CC3)cc2)cc(=O)[nH]1 ZINC000328831055 1104573649 /nfs/dbraw/zinc/57/36/49/1104573649.db2.gz KUZMTCCHQCQELM-UHFFFAOYSA-N -1 0 354.454 4.310 20 30 FIEDRM N#CC(=C([O-])c1cccc(F)c1C#N)c1nc2cc(Cl)ccc2s1 ZINC000188706388 1104751236 /nfs/dbraw/zinc/75/12/36/1104751236.db2.gz AOWJMDPABBDHHP-LBPRGKRZSA-N -1 0 355.781 4.451 20 30 FIEDRM C=CCCCS(=O)(=O)[N-]c1nc(-c2ccc(OC)cc2)c(CC)s1 ZINC000427787038 1105281407 /nfs/dbraw/zinc/28/14/07/1105281407.db2.gz IEKGBGUMERRYKE-UHFFFAOYSA-N -1 0 366.508 4.089 20 30 FIEDRM N#Cc1cc([N-]S(=O)(=O)c2cccc3ccccc32)nc2ccccc12 ZINC000508113452 1105329815 /nfs/dbraw/zinc/32/98/15/1105329815.db2.gz UACCMDFYJNCFSI-UHFFFAOYSA-N -1 0 359.410 4.060 20 30 FIEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1sc2ccccc2c1Cl ZINC000127243561 1107797987 /nfs/dbraw/zinc/79/79/87/1107797987.db2.gz LYPRVQXDPNKCDF-ZDUSSCGKSA-N -1 0 360.866 4.326 20 30 FIEDRM O=C(Nc1cccc(C#Cc2cccs2)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000137636731 1107900463 /nfs/dbraw/zinc/90/04/63/1107900463.db2.gz FQHHRUZLPZAIIG-UHFFFAOYSA-N -1 0 364.382 4.014 20 30 FIEDRM Cc1ccc(-c2nc(C([O-])=C(C#N)c3nc4c(cccc4C)[nH]3)cs2)o1 ZINC000524034884 1108763430 /nfs/dbraw/zinc/76/34/30/1108763430.db2.gz CHINGBLBZKYZNX-LBPRGKRZSA-N -1 0 362.414 4.386 20 30 FIEDRM C=CCN(Cc1ccccc1F)C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000448006503 1109698966 /nfs/dbraw/zinc/69/89/66/1109698966.db2.gz ZSBUPXQBBUPAIK-UHFFFAOYSA-N -1 0 374.466 4.048 20 30 FIEDRM C=C(C)[C@@H](NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)c1ccc(F)c(F)c1 ZINC000478189121 1111706019 /nfs/dbraw/zinc/70/60/19/1111706019.db2.gz YAROJDLUSJJLEV-TZIWHRDSSA-N -1 0 373.399 4.131 20 30 FIEDRM C=C(C)[C@H](NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)c1ccc(F)c(F)c1 ZINC000478189120 1111706314 /nfs/dbraw/zinc/70/63/14/1111706314.db2.gz YAROJDLUSJJLEV-PZJWPPBQSA-N -1 0 373.399 4.131 20 30 FIEDRM C[C@H](N=c1[n-]nc(-c2ccon2)s1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000553492538 1111984756 /nfs/dbraw/zinc/98/47/56/1111984756.db2.gz KHFKSTMDQCCIJC-ZDUSSCGKSA-N -1 0 373.441 4.327 20 30 FIEDRM Cc1cccc(CCC(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000042232951 1112839318 /nfs/dbraw/zinc/83/93/18/1112839318.db2.gz WPIQRFJSBXEBAU-UHFFFAOYSA-N -1 0 353.443 4.426 20 30 FIEDRM Cc1ccc([C@H](CC(=O)N[C@H](CCCC#N)c2ccccc2)C(=O)[O-])cc1 ZINC000899785358 1112991242 /nfs/dbraw/zinc/99/12/42/1112991242.db2.gz GLCVRIYXHRSDOY-VQTJNVASSA-N -1 0 364.445 4.105 20 30 FIEDRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)N(CCC#N)CCC(C)C)s2)c1 ZINC000481967649 1113142818 /nfs/dbraw/zinc/14/28/18/1113142818.db2.gz RNDDDOQBDRDHBT-UHFFFAOYSA-N -1 0 371.510 4.038 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nccc3ccccc32)cnn1-c1ccccc1F ZINC000483207099 1113465672 /nfs/dbraw/zinc/46/56/72/1113465672.db2.gz VNFNLJNXNLCCDX-QGZVFWFLSA-N -1 0 370.387 4.358 20 30 FIEDRM Cc1c2cc(C)c(C)cc2sc1C(=O)N=c1[n-]n(C(C)C)cc1C#N ZINC000486190017 1113521147 /nfs/dbraw/zinc/52/11/47/1113521147.db2.gz HIOOPVIQYZUYLU-UHFFFAOYSA-N -1 0 352.463 4.150 20 30 FIEDRM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000486511811 1113584294 /nfs/dbraw/zinc/58/42/94/1113584294.db2.gz WTSPGPKKILWIBW-UHFFFAOYSA-N -1 0 364.785 4.206 20 30 FIEDRM C=CCCCS(=O)(=O)[N-][C@@H](c1cccc2ccccc21)C(F)(F)F ZINC000489620053 1114140149 /nfs/dbraw/zinc/14/01/49/1114140149.db2.gz BSQGXJFIRMUJQR-INIZCTEOSA-N -1 0 357.397 4.329 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C)n1CC(F)(F)F ZINC000054734186 1114384537 /nfs/dbraw/zinc/38/45/37/1114384537.db2.gz MAMWVTFWNXHMDI-ZDUSSCGKSA-N -1 0 361.323 4.299 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2csc([C@H]3CCCO3)n2)s1 ZINC000571235954 1114449691 /nfs/dbraw/zinc/44/96/91/1114449691.db2.gz QMPQDDQOIWLTIC-CMPLNLGQSA-N -1 0 361.492 4.239 20 30 FIEDRM COc1cccc(-c2nc(/C=C/C(=O)c3ccc(O)cc3[O-])cs2)c1 ZINC000156639202 1114483264 /nfs/dbraw/zinc/48/32/64/1114483264.db2.gz GVLMIUPVEKOYDW-VMPITWQZSA-N -1 0 353.399 4.126 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccnc(OC3CCC3)c2)s1 ZINC000571858265 1114545851 /nfs/dbraw/zinc/54/58/51/1114545851.db2.gz VXQXKPOPLGUSBN-CQSZACIVSA-N -1 0 355.463 4.257 20 30 FIEDRM O=C(CCc1ccccc1F)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000058033779 1115073699 /nfs/dbraw/zinc/07/36/99/1115073699.db2.gz OMORUZFYDSOUHS-UHFFFAOYSA-N -1 0 359.422 4.032 20 30 FIEDRM CSc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1[N+](=O)[O-] ZINC000592399918 1115223297 /nfs/dbraw/zinc/22/32/97/1115223297.db2.gz YIBISNJODLSMIG-NSHDSACASA-N -1 0 359.432 4.141 20 30 FIEDRM C[C@H](Oc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccc1 ZINC000574073770 1115285117 /nfs/dbraw/zinc/28/51/17/1115285117.db2.gz UCGUSURJOLRZRA-AWEZNQCLSA-N -1 0 368.414 4.092 20 30 FIEDRM CC(C)(C)c1[n-]n(Cc2cccc(OC(F)(F)F)c2)c(=O)c1CCC#N ZINC000593236659 1115311993 /nfs/dbraw/zinc/31/19/93/1115311993.db2.gz UFXJPIKLWYEZIP-UHFFFAOYSA-N -1 0 367.371 4.289 20 30 FIEDRM CC(C)n1ncc(C([O-])=C(C#N)c2nc3ccccc3s2)c1C1CC1 ZINC000498696927 1115434328 /nfs/dbraw/zinc/43/43/28/1115434328.db2.gz RWFKWCAOJLIBIU-ZDUSSCGKSA-N -1 0 350.447 4.441 20 30 FIEDRM CCC[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C(C)=O)cc1)c1ccccc1 ZINC000046929620 1115546744 /nfs/dbraw/zinc/54/67/44/1115546744.db2.gz BAPUGHANUZWISG-GOSISDBHSA-N -1 0 359.447 4.118 20 30 FIEDRM Cc1cc(Cl)c2ncc(C#N)c(N3CCC[C@H](CCC(=O)[O-])C3)c2c1 ZINC000595973597 1115568901 /nfs/dbraw/zinc/56/89/01/1115568901.db2.gz DXNMCCCXRDLZAT-CYBMUJFWSA-N -1 0 357.841 4.150 20 30 FIEDRM CC(C)(c1ccc([N-]S(=O)(=O)c2ccsc2C#N)cc1)C(F)(F)F ZINC000593210124 1115605349 /nfs/dbraw/zinc/60/53/49/1115605349.db2.gz FZECVXFKEIAPLZ-UHFFFAOYSA-N -1 0 374.409 4.260 20 30 FIEDRM CC(C)CCc1n[n-]c(=NC(=O)N[C@@H](CCCC#N)c2ccccc2)s1 ZINC000596964889 1115632250 /nfs/dbraw/zinc/63/22/50/1115632250.db2.gz OTFUQXHYTRFIHN-INIZCTEOSA-N -1 0 371.510 4.105 20 30 FIEDRM N#CC(=C([O-])c1ccc2[nH]c(C(F)F)nc2c1)c1nc2ccccc2o1 ZINC000601432867 1115636127 /nfs/dbraw/zinc/63/61/27/1115636127.db2.gz LVDYANPSEBISDE-JTQLQIEISA-N -1 0 352.300 4.132 20 30 FIEDRM CC(C)COc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000603983089 1115836982 /nfs/dbraw/zinc/83/69/82/1115836982.db2.gz HROOVJDVTLADGX-UHFFFAOYSA-N -1 0 364.854 4.047 20 30 FIEDRM Cc1ccc(-c2nc(C([O-])=C(C#N)c3cc(C)nc(C)n3)cs2)c(C)c1 ZINC000064101004 1116141699 /nfs/dbraw/zinc/14/16/99/1116141699.db2.gz WYHLPFUJGUTRPJ-INIZCTEOSA-N -1 0 362.458 4.324 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)nn1[C@@H](C)C1CC1 ZINC000539644836 1116357137 /nfs/dbraw/zinc/35/71/37/1116357137.db2.gz GMRQEXQWLZNJCP-JSGCOSHPSA-N -1 0 350.447 4.262 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2C#N)c(Cl)c1 ZINC000463374081 1118127568 /nfs/dbraw/zinc/12/75/68/1118127568.db2.gz FPHDZFXJTPKVBL-UHFFFAOYSA-N -1 0 374.771 4.340 20 30 FIEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)cc1 ZINC000443469863 1118396315 /nfs/dbraw/zinc/39/63/15/1118396315.db2.gz SYDOJNJJYILJIK-UHFFFAOYSA-N -1 0 360.744 4.031 20 30 FIEDRM CCOc1c(F)cccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464410859 1118547240 /nfs/dbraw/zinc/54/72/40/1118547240.db2.gz XEXDEHRXBFIWKW-LBPRGKRZSA-N -1 0 352.287 4.128 20 30 FIEDRM CC(C)(C)c1ncc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)s1 ZINC000464401421 1118551660 /nfs/dbraw/zinc/55/16/60/1118551660.db2.gz QQYAZFZFWYICHT-JTQLQIEISA-N -1 0 353.369 4.344 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cnc2ccccc12 ZINC000464428384 1118561854 /nfs/dbraw/zinc/56/18/54/1118561854.db2.gz SLKLCONZNGUROA-CQSZACIVSA-N -1 0 355.319 4.447 20 30 FIEDRM N#CC(=C([O-])c1ccc(Cl)cc1[N+](=O)[O-])c1cc(C(F)(F)F)ccn1 ZINC000464465982 1118572452 /nfs/dbraw/zinc/57/24/52/1118572452.db2.gz HGINPJORLLGBID-LLVKDONJSA-N -1 0 369.686 4.152 20 30 FIEDRM Cc1nc(C)c(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)o1 ZINC000541718812 1118621817 /nfs/dbraw/zinc/62/18/17/1118621817.db2.gz RWVSJTGWFVDAJI-JTQLQIEISA-N -1 0 359.357 4.183 20 30 FIEDRM N#CCc1ccc(CSc2n[n-]c(=NCCc3cccs3)s2)cc1 ZINC000542214440 1118848589 /nfs/dbraw/zinc/84/85/89/1118848589.db2.gz KHPLITHPXKEEDZ-UHFFFAOYSA-N -1 0 372.544 4.034 20 30 FIEDRM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)c1 ZINC000176708353 1119290269 /nfs/dbraw/zinc/29/02/69/1119290269.db2.gz LMESOJFVMROBIF-ZDUSSCGKSA-N -1 0 364.467 4.329 20 30 FIEDRM Cc1nn(-c2ccccc2)cc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000177745663 1119348830 /nfs/dbraw/zinc/34/88/30/1119348830.db2.gz PLCUDTFRBFHNSJ-OAHLLOKOSA-N -1 0 350.447 4.251 20 30 FIEDRM Cc1noc(-c2ccccc2C([O-])=C(C#N)c2nc(C(C)C)cs2)n1 ZINC000183379983 1119572994 /nfs/dbraw/zinc/57/29/94/1119572994.db2.gz IRDAVYLJSAHBHG-CQSZACIVSA-N -1 0 352.419 4.115 20 30 FIEDRM CSc1cccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1[N+](=O)[O-] ZINC000189097340 1119835905 /nfs/dbraw/zinc/83/59/05/1119835905.db2.gz BGUKMSXDEFAHAU-LLVKDONJSA-N -1 0 361.448 4.387 20 30 FIEDRM N#CC(=C([O-])c1cc(F)cc(Cl)c1)c1nc(-c2ccncc2)cs1 ZINC000465417447 1119973442 /nfs/dbraw/zinc/97/34/42/1119973442.db2.gz NYHJXYBSZIPQAZ-CQSZACIVSA-N -1 0 357.797 4.488 20 30 FIEDRM Cc1cn(-c2ccc(F)cc2)nc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000670115189 1120356760 /nfs/dbraw/zinc/35/67/60/1120356760.db2.gz PUUJVMPZXIAMFQ-GOSISDBHSA-N -1 0 370.387 4.358 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3coc(C4CC4)n3)n2)cc1 ZINC000670116311 1120356844 /nfs/dbraw/zinc/35/68/44/1120356844.db2.gz ILUKVTQIKQQNKS-CQSZACIVSA-N -1 0 365.414 4.174 20 30 FIEDRM COc1cccc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)c1OC(C)C ZINC000915106669 1120814807 /nfs/dbraw/zinc/81/48/07/1120814807.db2.gz SXEPOLHGNQDAQM-VAWYXSNFSA-N -1 0 354.402 4.006 20 30 FIEDRM C=CCOc1ccc(/C=C2/CCc3oc(C(=O)[O-])c(C)c3C2=O)cc1OC ZINC000915106225 1120815402 /nfs/dbraw/zinc/81/54/02/1120815402.db2.gz OGJSQJKUMYQRER-UVTDQMKNSA-N -1 0 368.385 4.072 20 30 FIEDRM CCCOc1cc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)ccc1OC ZINC000915106710 1120815845 /nfs/dbraw/zinc/81/58/45/1120815845.db2.gz UELXCFWNHDYDBX-POHAHGRESA-N -1 0 354.402 4.007 20 30 FIEDRM O=C([O-])c1cccc(N=NC=C2COc3ccc(Br)cc3C2)c1 ZINC000915269984 1120904665 /nfs/dbraw/zinc/90/46/65/1120904665.db2.gz JEDABGDKYPHQEH-UHFFFAOYSA-N -1 0 373.206 4.021 20 30 FIEDRM COc1cc(/C=C2/C(=O)c3cccc4c3[C@@H]2CCC4)cc([N+](=O)[O-])c1[O-] ZINC000763288722 1121318115 /nfs/dbraw/zinc/31/81/15/1121318115.db2.gz IQGJNLBYMWUKAU-MGMWDDNKSA-N -1 0 351.358 4.009 20 30 FIEDRM C[C@@H](/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000915981649 1121362529 /nfs/dbraw/zinc/36/25/29/1121362529.db2.gz FKNLKVDMNOGTAV-ZHLXBYETSA-N -1 0 373.796 4.019 20 30 FIEDRM CCCOc1ccc([C@@H](C)/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1OC ZINC000915981772 1121362560 /nfs/dbraw/zinc/36/25/60/1121362560.db2.gz GWIKFNLEJSJUJA-HMHKGCENSA-N -1 0 358.394 4.278 20 30 FIEDRM COc1ccc(Cl)cc1C(=O)/C=C\c1ccc(OCCC(=O)[O-])cc1 ZINC000915987816 1121367003 /nfs/dbraw/zinc/36/70/03/1121367003.db2.gz KTSQUKFRPSHNMR-YWEYNIOJSA-N -1 0 360.793 4.098 20 30 FIEDRM O=C([O-])CCOc1ccc(/C=C\C(=O)c2nc3ccccc3s2)cc1 ZINC000915987583 1121367098 /nfs/dbraw/zinc/36/70/98/1121367098.db2.gz HIPGUZYVYZEXIP-YFHOEESVSA-N -1 0 353.399 4.046 20 30 FIEDRM Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)c1ccc(CC(=O)[O-])cc1 ZINC000915987845 1121367290 /nfs/dbraw/zinc/36/72/90/1121367290.db2.gz LUXLUYZBJSHVQM-OUKQBFOZSA-N -1 0 360.413 4.012 20 30 FIEDRM Cc1nc(C(C)(C)C)sc1C(=O)/C=C/c1ccc(OCCC(=O)[O-])cc1 ZINC000915987999 1121367848 /nfs/dbraw/zinc/36/78/48/1121367848.db2.gz OZVWZJVVJWXMHF-JXMROGBWSA-N -1 0 373.474 4.499 20 30 FIEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2cccc(OCC(F)(F)F)c2)cc1 ZINC000915989757 1121369380 /nfs/dbraw/zinc/36/93/80/1121369380.db2.gz CWXZMTYQRHMNMA-RMKNXTFCSA-N -1 0 364.319 4.151 20 30 FIEDRM COc1cc(/C=C/C(=O)c2cc(C)c(C)cc2C)ccc1OCCC(=O)[O-] ZINC000763370911 1121490884 /nfs/dbraw/zinc/49/08/84/1121490884.db2.gz XDSSQVSIGVOQBL-FNORWQNLSA-N -1 0 368.429 4.370 20 30 FIEDRM COc1cc(/C=C/C(=O)c2ccccc2Cl)ccc1OCCC(=O)[O-] ZINC000763371099 1121491181 /nfs/dbraw/zinc/49/11/81/1121491181.db2.gz ZJYVSFBQNMZVPX-SOFGYWHQSA-N -1 0 360.793 4.098 20 30 FIEDRM Cc1c(Br)ccc(F)c1C(=O)N(O)Cc1ccc(F)cc1 ZINC001649075757 1121580044 /nfs/dbraw/zinc/58/00/44/1121580044.db2.gz DUWSFEDLPPSZLZ-UHFFFAOYSA-N -1 0 356.166 4.067 20 30 FIEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2ccc(F)cc2)s1 ZINC000916877591 1121907524 /nfs/dbraw/zinc/90/75/24/1121907524.db2.gz VJNMUZJZNOBVAE-HNNXBMFYSA-N -1 0 358.438 4.183 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)C(=O)NC(C)C)c(C)n1-c1ccc(C(C)C)cc1 ZINC000916946665 1121958704 /nfs/dbraw/zinc/95/87/04/1121958704.db2.gz DSCDEDLRVNPCSS-HXUWFJFHSA-N -1 0 365.477 4.065 20 30 FIEDRM C=CCCC(=O)[N-]S(=O)(=O)c1ccc(OCc2cccc(C)c2)cc1 ZINC000073532941 1122033064 /nfs/dbraw/zinc/03/30/64/1122033064.db2.gz QMVBCRXVXDCUDQ-UHFFFAOYSA-N -1 0 359.447 4.185 20 30 FIEDRM COc1cc(Cl)cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c1 ZINC000497360831 1122147883 /nfs/dbraw/zinc/14/78/83/1122147883.db2.gz DXPGYJYSEWNXMR-HNNXBMFYSA-N -1 0 369.833 4.357 20 30 FIEDRM N#CC(=C([O-])c1cnn(-c2ccc(Cl)cc2)c1)c1nc2ccccc2o1 ZINC000054736266 1122195273 /nfs/dbraw/zinc/19/52/73/1122195273.db2.gz INNCXOYSIXJWEV-OAHLLOKOSA-N -1 0 362.776 4.157 20 30 FIEDRM CCCCc1oc2ccccc2c1C=CC([O-])=C1C(=O)C=C(C)OC1=O ZINC000917209867 1122224425 /nfs/dbraw/zinc/22/44/25/1122224425.db2.gz BIBNCWMNPBVLEZ-CTDFXDFQSA-N -1 0 352.386 4.004 20 30 FIEDRM CCOCc1nc(C)c(C([O-])=C(C#N)c2nccc3ccccc32)s1 ZINC000556484259 1122916650 /nfs/dbraw/zinc/91/66/50/1122916650.db2.gz SIUXGWYFRFOLFG-HNNXBMFYSA-N -1 0 351.431 4.026 20 30 FIEDRM N#CC(=C([O-])c1csc(C(F)(F)F)n1)c1nc2ccccc2s1 ZINC000556570546 1122982173 /nfs/dbraw/zinc/98/21/73/1122982173.db2.gz DCHRXAHKTHCIJS-ZETCQYMHSA-N -1 0 353.350 4.262 20 30 FIEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1ccc(Br)cc1)CC2 ZINC000920065944 1123326287 /nfs/dbraw/zinc/32/62/87/1123326287.db2.gz OAIALTUIWKNOFX-DHZHZOJOSA-N -1 0 361.191 4.261 20 30 FIEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1ccc(N3CCCCC3)cc1)CC2 ZINC000920067739 1123327158 /nfs/dbraw/zinc/32/71/58/1123327158.db2.gz CPFPVEUAMFPTTH-DTQAZKPQSA-N -1 0 365.429 4.489 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H]1Cc2ccccc2S1 ZINC000920106260 1123351819 /nfs/dbraw/zinc/35/18/19/1123351819.db2.gz LXUDFXMRIXHBBL-MAUKXSAKSA-N -1 0 360.438 4.085 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H]1Cc2ccccc2S1 ZINC000920106258 1123351853 /nfs/dbraw/zinc/35/18/53/1123351853.db2.gz LXUDFXMRIXHBBL-CRAIPNDOSA-N -1 0 360.438 4.085 20 30 FIEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\[C@@H]2CCc3cc(Br)ccc32)c1 ZINC000920173998 1123403321 /nfs/dbraw/zinc/40/33/21/1123403321.db2.gz IOXLRHLEDKTSFS-FNMPFJKNSA-N -1 0 361.195 4.169 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])C=Cc2cc(C)c(C)cc2C)n1 ZINC000920328329 1123444297 /nfs/dbraw/zinc/44/42/97/1123444297.db2.gz RGBSHQTXCZDPJC-MWWKQMNYSA-N -1 0 368.458 4.135 20 30 FIEDRM Cc1cccc(C)c1OC[C@@H](O)C/N=C\c1cc(Cl)cc(Cl)c1[O-] ZINC000920386505 1123450582 /nfs/dbraw/zinc/45/05/82/1123450582.db2.gz ATQBMHSNRKLACY-YBAOBPEKSA-N -1 0 368.260 4.175 20 30 FIEDRM O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc(-c3cn4ccsc4n3)cc2)c1 ZINC000920943291 1123540203 /nfs/dbraw/zinc/54/02/03/1123540203.db2.gz VOXJEEBXXROZRL-UHFFFAOYSA-N -1 0 364.386 4.427 20 30 FIEDRM C[C@H](C#N)CSc1ccccc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000609387845 1123700139 /nfs/dbraw/zinc/70/01/39/1123700139.db2.gz KAVMIIPLHCAWHL-CQSZACIVSA-N -1 0 360.479 4.302 20 30 FIEDRM COc1cccc(N=c2[n-]nc(S[C@@H](C#N)C3CCCCC3)s2)c1 ZINC000609648407 1123781028 /nfs/dbraw/zinc/78/10/28/1123781028.db2.gz DGXMGOFRXCHYQC-HNNXBMFYSA-N -1 0 360.508 4.277 20 30 FIEDRM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cc4cc([N+](=O)[O-])ccc4o3)nc21 ZINC000609831301 1123853634 /nfs/dbraw/zinc/85/36/34/1123853634.db2.gz VODRDYIXJXQNLS-ZDUSSCGKSA-N -1 0 360.329 4.016 20 30 FIEDRM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cc4cc([N+](=O)[O-])ccc4o3)nc21 ZINC000609831300 1123854159 /nfs/dbraw/zinc/85/41/59/1123854159.db2.gz VODRDYIXJXQNLS-CYBMUJFWSA-N -1 0 360.329 4.016 20 30 FIEDRM N#Cc1ccc(OCc2ccc(C(=O)Nc3cccc(Cl)c3[O-])o2)cc1 ZINC000609921637 1123888801 /nfs/dbraw/zinc/88/88/01/1123888801.db2.gz WONAELSDFKGKEL-UHFFFAOYSA-N -1 0 368.776 4.342 20 30 FIEDRM Cc1cc(-c2ccccc2)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610056735 1123930107 /nfs/dbraw/zinc/93/01/07/1123930107.db2.gz JJVWYBMCHPXTLO-UHFFFAOYSA-N -1 0 366.417 4.474 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccccc2OC[C@@H]2CCCO2)n1 ZINC000080449690 1123965629 /nfs/dbraw/zinc/96/56/29/1123965629.db2.gz BYCVIGRDPMZKGX-GOEBONIOSA-N -1 0 370.474 4.314 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)nn1-c1ccccc1 ZINC000080455574 1123966159 /nfs/dbraw/zinc/96/61/59/1123966159.db2.gz IHAVCKBNUUZXBD-HNNXBMFYSA-N -1 0 350.447 4.251 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cc(C)n(-c3cc(C)cc(C)c3)n2)n1 ZINC000179829384 1124112575 /nfs/dbraw/zinc/11/25/75/1124112575.db2.gz PJJCOQYCABTASB-MRXNPFEDSA-N -1 0 350.447 4.053 20 30 FIEDRM Cc1cccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)c1Cl ZINC000179976917 1124179466 /nfs/dbraw/zinc/17/94/66/1124179466.db2.gz KALIHVSIKNVGTB-UHFFFAOYSA-N -1 0 364.854 4.132 20 30 FIEDRM CC(C)c1cc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)n[nH]1 ZINC000068349397 1124190452 /nfs/dbraw/zinc/19/04/52/1124190452.db2.gz PFXVXEPNFOUZJD-SNVBAGLBSA-N -1 0 372.400 4.425 20 30 FIEDRM C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000108252176 1124270635 /nfs/dbraw/zinc/27/06/35/1124270635.db2.gz SJBGYXGBUCDUSF-NSHDSACASA-N -1 0 368.430 4.017 20 30 FIEDRM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1SC[C@@H](C)C#N ZINC000108251999 1124271181 /nfs/dbraw/zinc/27/11/81/1124271181.db2.gz JRZJQAZYNAUBAL-LBPRGKRZSA-N -1 0 364.467 4.187 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000007405737 1124900430 /nfs/dbraw/zinc/90/04/30/1124900430.db2.gz VOKLCENJNUUTJB-UHFFFAOYSA-N -1 0 360.744 4.031 20 30 FIEDRM CCCc1c(C([O-])=C(C#N)c2nc(C)cs2)cnn1-c1ccc(F)cc1 ZINC000542952329 1124975732 /nfs/dbraw/zinc/97/57/32/1124975732.db2.gz VAVYDBFOPNHWNJ-OAHLLOKOSA-N -1 0 368.437 4.219 20 30 FIEDRM Cc1ccccc1OCCCC(=O)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000069572247 1124990985 /nfs/dbraw/zinc/99/09/85/1124990985.db2.gz DTPQPHSXPSMCOR-SQFISAMPSA-N -1 0 359.447 4.111 20 30 FIEDRM Cc1cc(OCC(=O)[N-]S(=O)(=O)c2ccccc2Cl)ccc1Cl ZINC000069600567 1125013259 /nfs/dbraw/zinc/01/32/59/1125013259.db2.gz QJYZHVDANPLHRD-UHFFFAOYSA-N -1 0 374.245 4.026 20 30 FIEDRM O=C(CCc1cccs1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000069622173 1125043567 /nfs/dbraw/zinc/04/35/67/1125043567.db2.gz ONVVKQMEHUDBAO-UHFFFAOYSA-N -1 0 363.382 4.045 20 30 FIEDRM N#Cc1ccc(CN=c2[n-]nc(CC3CCCCC3)o2)c(C(F)(F)F)c1 ZINC000572537465 1125101047 /nfs/dbraw/zinc/10/10/47/1125101047.db2.gz SQSMONMFHKCAOZ-UHFFFAOYSA-N -1 0 364.371 4.117 20 30 FIEDRM Cc1nc2c(cccc2C([O-])=C(C#N)c2nc3cc(F)ccc3s2)o1 ZINC000672583868 1125184733 /nfs/dbraw/zinc/18/47/33/1125184733.db2.gz DJFUOQGXVGXCHY-GFCCVEGCSA-N -1 0 351.362 4.375 20 30 FIEDRM C=C(C)COc1cc(/C=C\c2ncc(C(=O)[O-])c(C(C)C)n2)ccc1OC ZINC000255388802 1125305168 /nfs/dbraw/zinc/30/51/68/1125305168.db2.gz PSCNDIFUSUORLH-CLFYSBASSA-N -1 0 368.433 4.432 20 30 FIEDRM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(-c2ccccc2)cn1 ZINC000114054055 1125413663 /nfs/dbraw/zinc/41/36/63/1125413663.db2.gz AWSMJCOHCMWIGU-UHFFFAOYSA-N -1 0 369.833 4.074 20 30 FIEDRM C=CCN(CC1CCCCC1)C(=O)c1cccc(Br)c1[O-] ZINC000601826201 567849359 /nfs/dbraw/zinc/84/93/59/567849359.db2.gz JJTWCKKQINHBBY-UHFFFAOYSA-N -1 0 352.272 4.363 20 30 FIEDRM Cc1sc2[nH]c(CN[C@@H](C)CC#N)nc(=O)c2c1-c1ccc(C)cc1 ZINC000602867169 568008404 /nfs/dbraw/zinc/00/84/04/568008404.db2.gz BLJVSKBMECZNBZ-LBPRGKRZSA-N -1 0 352.463 4.073 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)nn1C(C)(C)C ZINC000051656471 568139963 /nfs/dbraw/zinc/13/99/63/568139963.db2.gz RTWBDFZHQJIXFN-LBPRGKRZSA-N -1 0 371.391 4.181 20 30 FIEDRM C=CCN(C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-])c1ccccc1 ZINC000647741821 568279482 /nfs/dbraw/zinc/27/94/82/568279482.db2.gz KXLLAWOEOGIXPO-UHFFFAOYSA-N -1 0 353.809 4.064 20 30 FIEDRM CCSc1cccc(F)c1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000569164105 568298404 /nfs/dbraw/zinc/29/84/04/568298404.db2.gz VDBRLYJKUIXBGM-UHFFFAOYSA-N -1 0 370.858 4.264 20 30 FIEDRM N#Cc1csc(/C=C(/CCCC(=O)[O-])c2nc3ccccc3s2)n1 ZINC000569752238 568420164 /nfs/dbraw/zinc/42/01/64/568420164.db2.gz OKGWTRJNXZIMQF-FLIBITNWSA-N -1 0 355.444 4.420 20 30 FIEDRM CC[C@H](CN(CC)C(=O)c1cc(C#N)c(SC)[n-]c1=O)c1ccccc1 ZINC000482242177 568517549 /nfs/dbraw/zinc/51/75/49/568517549.db2.gz KCBUGRDXARAHPP-CQSZACIVSA-N -1 0 369.490 4.037 20 30 FIEDRM C=C[C@H](CC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000431775487 939154233 /nfs/dbraw/zinc/15/42/33/939154233.db2.gz JGKPJIDIERPHQF-XIKOKIGWSA-N -1 0 361.800 4.081 20 30 FIEDRM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)cc1 ZINC000183130390 1125755133 /nfs/dbraw/zinc/75/51/33/1125755133.db2.gz SIGPKYUCHMBVOK-GJZGRUSLSA-N -1 0 358.463 4.292 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1ccccc1 ZINC000047371878 1080296679 /nfs/dbraw/zinc/29/66/79/1080296679.db2.gz SGNKHZSBNJXZTI-OAHLLOKOSA-N -1 0 370.334 4.085 20 30 FIEDRM C=C[C@H](CC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1)c1ccccc1 ZINC000683311293 1080560265 /nfs/dbraw/zinc/56/02/65/1080560265.db2.gz AHOAJPURTAMUCM-OAHLLOKOSA-N -1 0 374.440 4.111 20 30 FIEDRM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000547822271 1080932927 /nfs/dbraw/zinc/93/29/27/1080932927.db2.gz ZCTFQZFEBYBRJR-UHFFFAOYSA-N -1 0 364.854 4.108 20 30 FIEDRM COc1ccc(CCC(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)cc1 ZINC000121032126 1081219595 /nfs/dbraw/zinc/21/95/95/1081219595.db2.gz BYAWDHNWGFCWHW-SFHVURJKSA-N -1 0 360.413 4.009 20 30 FIEDRM CC[C@@H](C)c1ccccc1OCC(=O)[N-]S(=O)(=O)c1ccccc1C ZINC000048425342 1081257929 /nfs/dbraw/zinc/25/79/29/1081257929.db2.gz UTBUQQXVRRDZMQ-CQSZACIVSA-N -1 0 361.463 4.233 20 30 FIEDRM CN(C)C(=O)c1cc(N=Cc2cc(Cl)cc(Cl)c2[O-])ccc1F ZINC000255126203 1081297342 /nfs/dbraw/zinc/29/73/42/1081297342.db2.gz NPVDKNZFFWEWMJ-UHFFFAOYSA-N -1 0 355.196 4.291 20 30 FIEDRM Cc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1OCC1CCOCC1 ZINC000255135449 1081385422 /nfs/dbraw/zinc/38/54/22/1081385422.db2.gz AZRBQGRPBOKIET-UHFFFAOYSA-N -1 0 370.405 4.165 20 30 FIEDRM O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(OCC(F)(F)F)cc1 ZINC000748145856 1081569532 /nfs/dbraw/zinc/56/95/32/1081569532.db2.gz BAJYSCKJQDIJJJ-WAPJZHGLSA-N -1 0 367.279 4.138 20 30 FIEDRM CCc1cccc(NC(=O)C/N=C/c2cc(Cl)cc(Cl)c2[O-])c1 ZINC000748147846 1081589110 /nfs/dbraw/zinc/58/91/10/1081589110.db2.gz JWADHXBDTTZQQL-AWQFTUOYSA-N -1 0 351.233 4.319 20 30 FIEDRM CC(C)OCc1c2ccccc2oc1C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000046708759 1081727621 /nfs/dbraw/zinc/72/76/21/1081727621.db2.gz UGBHGKMWAOMDEI-UHFFFAOYSA-N -1 0 373.430 4.051 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)nn1C1CCCCC1 ZINC000580707358 1082090611 /nfs/dbraw/zinc/09/06/11/1082090611.db2.gz MMFFAKPYVUYNJN-INIZCTEOSA-N -1 0 359.433 4.130 20 30 FIEDRM O=C1N/C(=N/C2CCCC2)S/C1=C/c1cc(Cl)c([O-])cc1Cl ZINC000134371464 1082235745 /nfs/dbraw/zinc/23/57/45/1082235745.db2.gz QXXOTKRHQGNLAR-AWNIVKPZSA-N -1 0 357.262 4.202 20 30 FIEDRM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCCOc1ccccc1F ZINC000077880470 1082797523 /nfs/dbraw/zinc/79/75/23/1082797523.db2.gz XGSTUZRXBZSNON-AWEZNQCLSA-N -1 0 365.426 4.032 20 30 FIEDRM CC(C)(C)c1cc([N-]C(=O)c2cc(-c3ccccn3)no2)c(C#N)s1 ZINC000538073463 1082912882 /nfs/dbraw/zinc/91/28/82/1082912882.db2.gz AHRREEXFZACTIA-UHFFFAOYSA-N -1 0 352.419 4.220 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2cc(N(C)C)nc3ccccc32)n1 ZINC000156454740 1082927054 /nfs/dbraw/zinc/92/70/54/1082927054.db2.gz COWRKTKIBXCONM-HNNXBMFYSA-N -1 0 364.474 4.371 20 30 FIEDRM COc1ccc(/C=C\C(=O)c2ccc(F)cc2[O-])cc1OCCCC#N ZINC000255386990 1083019497 /nfs/dbraw/zinc/01/94/97/1083019497.db2.gz WSQUSPZYGAFPDM-YWEYNIOJSA-N -1 0 355.365 4.119 20 30 FIEDRM CCc1ncc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)s1 ZINC000065047509 1083261619 /nfs/dbraw/zinc/26/16/19/1083261619.db2.gz RJLYEXOPOTZJAU-CYBMUJFWSA-N -1 0 364.455 4.191 20 30 FIEDRM COc1cc(/C=C\C(=O)c2coc3ccccc32)ccc1OCCC(=O)[O-] ZINC000588460299 1083330219 /nfs/dbraw/zinc/33/02/19/1083330219.db2.gz BFDUDVOPWXHNFX-VURMDHGXSA-N -1 0 366.369 4.191 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)nn1-c1ccc(C)cc1 ZINC000647378940 1083369575 /nfs/dbraw/zinc/36/95/75/1083369575.db2.gz OGZKRZQAQOEFIN-INIZCTEOSA-N -1 0 362.458 4.313 20 30 FIEDRM C[C@]1(C#N)CCCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])C1 ZINC000612368047 1083751247 /nfs/dbraw/zinc/75/12/47/1083751247.db2.gz UPJIYENBLZPISU-HXUWFJFHSA-N -1 0 354.837 4.478 20 30 FIEDRM N#CC(=C([O-])c1ccnc(C#N)c1)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000684631298 1083931289 /nfs/dbraw/zinc/93/12/89/1083931289.db2.gz OCYLYIBYXQGXEA-LBPRGKRZSA-N -1 0 372.331 4.072 20 30 FIEDRM N#CCCSc1ccccc1NS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000609379838 1084125194 /nfs/dbraw/zinc/12/51/94/1084125194.db2.gz KTNBGZNFZJJOSD-UHFFFAOYSA-N -1 0 370.858 4.286 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C[C@@H](c2ccccc2)C(C)C)n1 ZINC000728638880 1084357376 /nfs/dbraw/zinc/35/73/76/1084357376.db2.gz NWFYWGMGKVWCRP-SJORKVTESA-N -1 0 370.474 4.001 20 30 FIEDRM Cc1cc(C(=O)NC2CCCC2)ccc1N=Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000255885514 1084416896 /nfs/dbraw/zinc/41/68/96/1084416896.db2.gz WWHBGKOFOMQKOY-UHFFFAOYSA-N -1 0 367.405 4.032 20 30 FIEDRM COc1ccc(C(=O)/C=C\c2cc3cnn(C(C)C)c3nc2Cl)c([O-])c1 ZINC000255475848 1084500756 /nfs/dbraw/zinc/50/07/56/1084500756.db2.gz XLWAEJVJSJTZMW-DAXSKMNVSA-N -1 0 371.824 4.276 20 30 FIEDRM C=CCN(C(=O)Nc1cccc(SC)c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000684744859 1084591874 /nfs/dbraw/zinc/59/18/74/1084591874.db2.gz HUOTXRNFOBDRBE-GOSISDBHSA-N -1 0 370.474 4.124 20 30 FIEDRM Cc1nn(Cc2ccccc2)c(C)c1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000066516877 1084610957 /nfs/dbraw/zinc/61/09/57/1084610957.db2.gz SMOHQEVICGMBOE-KRWDZBQOSA-N -1 0 370.412 4.180 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccnc(Cl)c3)n2)cc1 ZINC000066543523 1084637539 /nfs/dbraw/zinc/63/75/39/1084637539.db2.gz IBLZBMDDAJWJHP-CQSZACIVSA-N -1 0 369.833 4.357 20 30 FIEDRM N#CC(=C([O-])c1cc(-c2ccoc2)[nH]n1)c1nc2cc(Cl)ccc2s1 ZINC000613407301 1084697838 /nfs/dbraw/zinc/69/78/38/1084697838.db2.gz PUSWIFFRNWIUEL-LLVKDONJSA-N -1 0 368.805 4.423 20 30 FIEDRM Cn1nc(C(C)(C)C)cc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000120034961 1084834501 /nfs/dbraw/zinc/83/45/01/1084834501.db2.gz YFECWDWFUPDNPE-LLVKDONJSA-N -1 0 372.881 4.471 20 30 FIEDRM COC(=O)c1cccc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)c1 ZINC000120035453 1084834897 /nfs/dbraw/zinc/83/48/97/1084834897.db2.gz XKTLACBPIMNVFX-ZDUSSCGKSA-N -1 0 370.817 4.226 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c(C)c1 ZINC000048476705 1085000769 /nfs/dbraw/zinc/00/07/69/1085000769.db2.gz WYPIRHJDLCQHCX-QWHCGFSZSA-N -1 0 363.401 4.317 20 30 FIEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000048472370 1085000934 /nfs/dbraw/zinc/00/09/34/1085000934.db2.gz UQOOKWBCIOCQIT-OLZOCXBDSA-N -1 0 363.401 4.317 20 30 FIEDRM O=C([N-]S(=O)(=O)CC1CCCCC1)c1cc(Cl)sc1Cl ZINC000049514058 1085074399 /nfs/dbraw/zinc/07/43/99/1085074399.db2.gz VZSDWQPIWOEWME-UHFFFAOYSA-N -1 0 356.296 4.270 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)ccn1C ZINC000684948500 1085285808 /nfs/dbraw/zinc/28/58/08/1085285808.db2.gz MNEOXKVSDXYNEV-LBPRGKRZSA-N -1 0 357.385 4.225 20 30 FIEDRM CC(C)COc1ncccc1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000093243456 1085496774 /nfs/dbraw/zinc/49/67/74/1085496774.db2.gz YRPWBVLDURMEMT-AWEZNQCLSA-N -1 0 351.431 4.216 20 30 FIEDRM COc1cccc(C([O-])=C(C#N)c2nc3ccccc3s2)c1OC(F)F ZINC000048822895 1085706100 /nfs/dbraw/zinc/70/61/00/1085706100.db2.gz RKDNGYNDHIVRIX-LLVKDONJSA-N -1 0 374.368 4.396 20 30 FIEDRM N#C[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1cccc(Cl)c1Cl ZINC000184390264 1086101929 /nfs/dbraw/zinc/10/19/29/1086101929.db2.gz SHOBGEQMMQHHNL-LBPRGKRZSA-N -1 0 373.598 4.486 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1sc(-c2ccc(C)o2)nc1C ZINC000125740628 1086359674 /nfs/dbraw/zinc/35/96/74/1086359674.db2.gz NKODNSHIBIVZSR-AWEZNQCLSA-N -1 0 373.478 4.039 20 30 FIEDRM N#CC(=C([O-])c1cnn(CCF)c1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000685142978 1086722425 /nfs/dbraw/zinc/72/24/25/1086722425.db2.gz BROFRLMBJZJNBP-CQSZACIVSA-N -1 0 374.828 4.120 20 30 FIEDRM Cc1cc(C)cc(OCCC(=O)[N-]S(=O)(=O)[C@H](C)c2ccccc2)c1 ZINC000077881914 1086722814 /nfs/dbraw/zinc/72/28/14/1086722814.db2.gz DMDCHODMRMCJRH-MRXNPFEDSA-N -1 0 361.463 4.120 20 30 FIEDRM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1ccc(C(F)(F)F)cc1 ZINC000077882510 1086728164 /nfs/dbraw/zinc/72/81/64/1086728164.db2.gz QFFSENCAPAETSI-NSHDSACASA-N -1 0 357.353 4.101 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC000158649263 1087115083 /nfs/dbraw/zinc/11/50/83/1087115083.db2.gz HIWIXBUMYAPVKF-IPMKNSEASA-N -1 0 356.425 4.480 20 30 FIEDRM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)c(C)c1 ZINC000511272910 1087537642 /nfs/dbraw/zinc/53/76/42/1087537642.db2.gz RSTLNLBCBNQIHD-UHFFFAOYSA-N -1 0 358.463 4.072 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C)n1C1CCOCC1 ZINC000659055000 1087981117 /nfs/dbraw/zinc/98/11/17/1087981117.db2.gz FHHVVNWELGKASD-KRWDZBQOSA-N -1 0 363.417 4.088 20 30 FIEDRM CCCSc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)c1nc(C)cs1 ZINC000505293169 1088327454 /nfs/dbraw/zinc/32/74/54/1088327454.db2.gz FJFKRMNHDZSPJV-CYBMUJFWSA-N -1 0 361.448 4.352 20 30 FIEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000189472953 1088483073 /nfs/dbraw/zinc/48/30/73/1088483073.db2.gz XBBWBJTUXCENKY-UHFFFAOYSA-N -1 0 359.209 4.113 20 30 FIEDRM N#CC(=C([O-])c1c[nH]nc1-c1ccoc1)c1nc2cc(Cl)ccc2s1 ZINC000434622028 1088841519 /nfs/dbraw/zinc/84/15/19/1088841519.db2.gz ZSYHEYUCOLGHAO-LLVKDONJSA-N -1 0 368.805 4.423 20 30 FIEDRM Cc1nn(C)c(C)c1C([O-])=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000051156299 1089973259 /nfs/dbraw/zinc/97/32/59/1089973259.db2.gz YMBQXHFSAFYYQM-AWEZNQCLSA-N -1 0 370.865 4.304 20 30 FIEDRM C=CCOc1ccc(CNc2ccc(S[C@@H](C)C(=O)[O-])cc2)cc1OC ZINC000417662060 1090953354 /nfs/dbraw/zinc/95/33/54/1090953354.db2.gz UDMKSTPEYBMNIQ-AWEZNQCLSA-N -1 0 373.474 4.437 20 30 FIEDRM C=CCc1cc(CNc2ccc(S[C@H](C)C(=O)[O-])cc2)cc(OC)c1O ZINC000417663355 1090954678 /nfs/dbraw/zinc/95/46/78/1090954678.db2.gz WJDQQZFXCPTDEG-CYBMUJFWSA-N -1 0 373.474 4.307 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nn1-c1ccccc1 ZINC000123645066 1091198403 /nfs/dbraw/zinc/19/84/03/1091198403.db2.gz CMEAUCTTWQGAOQ-OAHLLOKOSA-N -1 0 370.334 4.085 20 30 FIEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000511728106 1091566784 /nfs/dbraw/zinc/56/67/84/1091566784.db2.gz UYSXKNGOQHTIGU-UHFFFAOYSA-N -1 0 371.245 4.065 20 30 FIEDRM C=CCC[C@@H](N=c1[n-]nc(COC)s1)c1ccc(C(F)(F)F)cc1 ZINC000441966256 1092363316 /nfs/dbraw/zinc/36/33/16/1092363316.db2.gz MXVVHCFTSCGYJP-CYBMUJFWSA-N -1 0 357.401 4.245 20 30 FIEDRM Cc1sc(Br)c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c1C ZINC000441997188 1092367275 /nfs/dbraw/zinc/36/72/75/1092367275.db2.gz DTSQMFUIWFUYCS-SNVBAGLBSA-N -1 0 374.263 4.494 20 30 FIEDRM CCO[C@@H](C)c1ncc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)s1 ZINC000442614623 1092690036 /nfs/dbraw/zinc/69/00/36/1092690036.db2.gz HTWPDOWHWZUBLR-GXSJLCMTSA-N -1 0 369.368 4.144 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1[O-] ZINC000443057170 1092929535 /nfs/dbraw/zinc/92/95/35/1092929535.db2.gz IWXHYTICAUGYFH-UHFFFAOYSA-N -1 0 355.806 4.293 20 30 FIEDRM N#CCCN(Cc1ccco1)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000094074055 1093289665 /nfs/dbraw/zinc/28/96/65/1093289665.db2.gz DRLGKDUVDSFLOQ-UHFFFAOYSA-N -1 0 354.793 4.348 20 30 FIEDRM CCc1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)s1 ZINC000051899496 1093507084 /nfs/dbraw/zinc/50/70/84/1093507084.db2.gz OQYSIVRXWPFMAA-JTQLQIEISA-N -1 0 360.389 4.249 20 30 FIEDRM CSc1cccc(C)c1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000185339410 1093708721 /nfs/dbraw/zinc/70/87/21/1093708721.db2.gz CHPQEWQCXLKZTQ-UHFFFAOYSA-N -1 0 352.868 4.043 20 30 FIEDRM C[C@@H](Oc1cccc(C(=O)/C=C/c2ccc3c(c2)CC(C)(C)O3)c1)C(=O)[O-] ZINC000729151200 1093935620 /nfs/dbraw/zinc/93/56/20/1093935620.db2.gz SWCVOCJIBIVADX-RCQQVGEISA-N -1 0 366.413 4.148 20 30 FIEDRM CC(C)[C@@H](C#N)c1ccc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)cc1 ZINC001167937290 1093949041 /nfs/dbraw/zinc/94/90/41/1093949041.db2.gz BHZJAERRRQBITP-LJQANCHMSA-N -1 0 370.389 4.034 20 30 FIEDRM Cc1cccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c1[N+](=O)[O-] ZINC000041559749 1094632424 /nfs/dbraw/zinc/63/24/24/1094632424.db2.gz ZHKIMLKGCSYKHA-GFCCVEGCSA-N -1 0 370.315 4.138 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2sc(Cc3ccc(F)cc3)nc2C)n1 ZINC000041515194 1094639500 /nfs/dbraw/zinc/63/95/00/1094639500.db2.gz ZXAUQJXTHAJQHK-AWEZNQCLSA-N -1 0 371.462 4.436 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2ccc(COc3ccc(F)cc3)o2)n1 ZINC000041519720 1094641381 /nfs/dbraw/zinc/64/13/81/1094641381.db2.gz BEXWRBQZTHLVRU-HNNXBMFYSA-N -1 0 356.378 4.253 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2ccc(COc3ccc(F)cc3)o2)n1 ZINC000041519722 1094642626 /nfs/dbraw/zinc/64/26/26/1094642626.db2.gz BEXWRBQZTHLVRU-OAHLLOKOSA-N -1 0 356.378 4.253 20 30 FIEDRM Cc1cc(Br)oc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1 ZINC000522830526 1095749919 /nfs/dbraw/zinc/74/99/19/1095749919.db2.gz CGUMCZYSUAKFPJ-SNVBAGLBSA-N -1 0 358.195 4.025 20 30 FIEDRM C[C@@H]1CCc2c(C#N)c(NC(=O)CC3(C(=O)[O-])CCCCCC3)sc2C1 ZINC000016482001 1095782510 /nfs/dbraw/zinc/78/25/10/1095782510.db2.gz JMORETZRPNUDIH-CYBMUJFWSA-N -1 0 374.506 4.498 20 30 FIEDRM CCOc1nc2cc(C([O-])=C(C#N)c3nc4ccccc4s3)ccc2[nH]1 ZINC000436696959 1099230002 /nfs/dbraw/zinc/23/00/02/1099230002.db2.gz KDIUGSUXYVINQB-GFCCVEGCSA-N -1 0 362.414 4.061 20 30 FIEDRM C=CCc1cc(C=C(Cc2ccccc2)c2nccc(=O)[nH]2)cc(OC)c1O ZINC000436961591 1099462121 /nfs/dbraw/zinc/46/21/21/1099462121.db2.gz BRTCMCGAOKYLOY-XMHGGMMESA-N -1 0 374.440 4.408 20 30 FIEDRM C=CCN(Cc1ccccc1)C(=O)c1cc(F)cc(Br)c1[O-] ZINC000436998574 1099518413 /nfs/dbraw/zinc/51/84/13/1099518413.db2.gz KPFLVUXNTUXXSW-UHFFFAOYSA-N -1 0 364.214 4.122 20 30 FIEDRM O=C([N-]c1nnc(C(F)F)s1)c1c(F)cc(C(F)(F)F)cc1F ZINC000516605863 1099636160 /nfs/dbraw/zinc/63/61/60/1099636160.db2.gz VNIBKJOIXZJHCK-UHFFFAOYSA-N -1 0 359.226 4.025 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCc2cccc(Cl)c2)cc1C ZINC000048474005 1100243454 /nfs/dbraw/zinc/24/34/54/1100243454.db2.gz IFAHOABYMBIVGE-UHFFFAOYSA-N -1 0 351.855 4.235 20 30 FIEDRM CO[C@H](C)c1nc(=N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s[n-]1 ZINC000509588525 1100986299 /nfs/dbraw/zinc/98/62/99/1100986299.db2.gz WSDNTVNUSUJXAU-UONOGXRCSA-N -1 0 364.474 4.379 20 30 FIEDRM O=C(Cc1ccc2ccccc2c1)[N-]S(=O)(=O)c1ccccc1Cl ZINC000048578421 1101258356 /nfs/dbraw/zinc/25/83/56/1101258356.db2.gz ZTBWYNXVQMCFIT-UHFFFAOYSA-N -1 0 359.834 4.381 20 30 FIEDRM N#C[C@H](c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccoc2)cc1Cl ZINC000506555210 1101373835 /nfs/dbraw/zinc/37/38/35/1101373835.db2.gz NFCCKNRXODPGRK-QGZVFWFLSA-N -1 0 372.833 4.389 20 30 FIEDRM CCc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(C(F)(F)F)c2)s1 ZINC000321036575 1101586525 /nfs/dbraw/zinc/58/65/25/1101586525.db2.gz DQZZOVJHDOVXDU-UHFFFAOYSA-N -1 0 360.382 4.002 20 30 FIEDRM N#CC(=C([O-])c1conc1C1CC1)c1nc(-c2c(F)cccc2F)cs1 ZINC000518847256 1101635428 /nfs/dbraw/zinc/63/54/28/1101635428.db2.gz DKMYFVWVFGIREE-JTQLQIEISA-N -1 0 371.368 4.444 20 30 FIEDRM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000546149925 1101668980 /nfs/dbraw/zinc/66/89/80/1101668980.db2.gz HKWHDEKHSDWBAH-UHFFFAOYSA-N -1 0 365.216 4.367 20 30 FIEDRM CCC(N=Nc1ncnc2sc(C)c(C)c21)c1ccc(C(=O)[O-])cc1 ZINC000760226189 1101865539 /nfs/dbraw/zinc/86/55/39/1101865539.db2.gz LDXYNCXUAJZCSD-UHFFFAOYSA-N -1 0 354.435 4.233 20 30 FIEDRM Cn1c2ccc(N=Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])cc2nc1C1CC1 ZINC000760229994 1101887257 /nfs/dbraw/zinc/88/72/57/1101887257.db2.gz VCTWRXVDDXKMLJ-UHFFFAOYSA-N -1 0 370.796 4.469 20 30 FIEDRM CCc1ccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cc1[N+](=O)[O-] ZINC000610468050 1102056631 /nfs/dbraw/zinc/05/66/31/1102056631.db2.gz RKIMHCIBZZXFSV-CYBMUJFWSA-N -1 0 369.377 4.396 20 30 FIEDRM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccc(C(C)(C)C#N)cc1 ZINC000476539360 1102286029 /nfs/dbraw/zinc/28/60/29/1102286029.db2.gz QABNVGOFFNJLGA-UHFFFAOYSA-N -1 0 365.458 4.145 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cc(C)cc(C(=O)OC(C)(C)C)c2)n1 ZINC000459303395 1102756590 /nfs/dbraw/zinc/75/65/90/1102756590.db2.gz SPXIMATYTPGWFM-HNNXBMFYSA-N -1 0 356.447 4.205 20 30 FIEDRM C=CCc1cccc(C(C)C)c1NC(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000476778281 1102813767 /nfs/dbraw/zinc/81/37/67/1102813767.db2.gz WNQKOOIPPMUQMB-UHFFFAOYSA-N -1 0 367.474 4.485 20 30 FIEDRM Cc1cc(Br)oc1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000048824726 1102952698 /nfs/dbraw/zinc/95/26/98/1102952698.db2.gz BSMOLZFLAYUEGL-SECBINFHSA-N -1 0 361.220 4.450 20 30 FIEDRM Cc1nc2ccc(S(=O)(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2s1 ZINC000427101402 1103253227 /nfs/dbraw/zinc/25/32/27/1103253227.db2.gz BTUWYCUKYZXPRS-UHFFFAOYSA-N -1 0 371.487 4.207 20 30 FIEDRM CC(=O)c1cc(F)c([N-]C(=O)c2cc(F)c(F)c(F)c2F)c(F)c1F ZINC000537752247 1103914052 /nfs/dbraw/zinc/91/40/52/1103914052.db2.gz NSTGMGFBICXNDS-UHFFFAOYSA-N -1 0 365.204 4.115 20 30 FIEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000141254322 1104197489 /nfs/dbraw/zinc/19/74/89/1104197489.db2.gz ARQGHFJEPUMSSG-UHFFFAOYSA-N -1 0 361.637 4.319 20 30 FIEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc3oc(C(C)(C)C)nc3c2)c1C#N ZINC000441323348 1104283432 /nfs/dbraw/zinc/28/34/32/1104283432.db2.gz JSTUTYKLCBQVDK-UHFFFAOYSA-N -1 0 369.446 4.106 20 30 FIEDRM O=C(N[C@H]1CCCN(CC(F)(F)F)C1)c1c([O-])cc(Cl)cc1Cl ZINC000331236080 1104710433 /nfs/dbraw/zinc/71/04/33/1104710433.db2.gz MCFVFDPTAWHREV-VIFPVBQESA-N -1 0 371.186 4.030 20 30 FIEDRM Cc1ccc(-c2cc(C([O-])=C(C#N)c3nc4ccccc4o3)n[nH]2)c(C)c1 ZINC000188719709 1104751015 /nfs/dbraw/zinc/75/10/15/1104751015.db2.gz HPDBBWPDFQFQMF-OAHLLOKOSA-N -1 0 356.385 4.325 20 30 FIEDRM C=CCOc1ccc(CNc2ccc(S[C@H](C)C(=O)[O-])cc2)cc1OC ZINC000417662061 1105055782 /nfs/dbraw/zinc/05/57/82/1105055782.db2.gz UDMKSTPEYBMNIQ-CQSZACIVSA-N -1 0 373.474 4.437 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)nn1C(C)C ZINC000453623895 1108666287 /nfs/dbraw/zinc/66/62/87/1108666287.db2.gz PKXXZUWFEVYIPF-HNNXBMFYSA-N -1 0 350.447 4.386 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccn(CCc3ccccc3)n2)n1 ZINC000453703718 1108696981 /nfs/dbraw/zinc/69/69/81/1108696981.db2.gz ZSNZAEHFGXGZDU-INIZCTEOSA-N -1 0 364.474 4.196 20 30 FIEDRM CC[C@H](C)n1ncc2c1nc(C)cc2C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000523958039 1108702647 /nfs/dbraw/zinc/70/26/47/1108702647.db2.gz OQEQZFWLEKHIMD-ZFWWWQNUSA-N -1 0 373.416 4.342 20 30 FIEDRM N#C[C@@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC000446033194 1109089939 /nfs/dbraw/zinc/08/99/39/1109089939.db2.gz JXNNQQNIBCSCIO-CYBMUJFWSA-N -1 0 372.705 4.198 20 30 FIEDRM COc1ccccc1-c1ccc(/C=C/c2nc(C(=O)[O-])ccc2C#N)cc1 ZINC000525045557 1109243390 /nfs/dbraw/zinc/24/33/90/1109243390.db2.gz DKCMJUGNNLUTBC-XYOKQWHBSA-N -1 0 356.381 4.497 20 30 FIEDRM COc1ccccc1-c1ccc(/C=C\c2nc(C(=O)[O-])ccc2C#N)cc1 ZINC000525045556 1109243622 /nfs/dbraw/zinc/24/36/22/1109243622.db2.gz DKCMJUGNNLUTBC-WQLSENKSSA-N -1 0 356.381 4.497 20 30 FIEDRM N#Cc1cccc(-c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3[O-])on2)c1 ZINC000447561243 1109583066 /nfs/dbraw/zinc/58/30/66/1109583066.db2.gz GZYOXFIXILRJMT-UHFFFAOYSA-N -1 0 374.183 4.478 20 30 FIEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ncsc1-c1ccccc1 ZINC000526109164 1109623765 /nfs/dbraw/zinc/62/37/65/1109623765.db2.gz WNSPGQJGVYPJLJ-AWEZNQCLSA-N -1 0 358.426 4.187 20 30 FIEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)cc1 ZINC000461328658 1111161744 /nfs/dbraw/zinc/16/17/44/1111161744.db2.gz AFLCEODCNCYHRB-UHFFFAOYSA-N -1 0 374.409 4.369 20 30 FIEDRM CC(C)(C(=O)Nc1cc(F)cc(Cl)c1[O-])c1cc(F)cc(C#N)c1 ZINC000552448002 1111711763 /nfs/dbraw/zinc/71/17/63/1111711763.db2.gz LEDKJKGPDKMRTF-UHFFFAOYSA-N -1 0 350.752 4.112 20 30 FIEDRM N#CC(=C([O-])c1coc(-c2ccccc2Cl)n1)c1nc2ccccc2[nH]1 ZINC000553663002 1112044358 /nfs/dbraw/zinc/04/43/58/1112044358.db2.gz URVHEPNHGLTORD-GFCCVEGCSA-N -1 0 362.776 4.361 20 30 FIEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000554026556 1112164950 /nfs/dbraw/zinc/16/49/50/1112164950.db2.gz GAGWEWQPSUJBDX-KRWDZBQOSA-N -1 0 362.788 4.098 20 30 FIEDRM O=C(CCCCc1nc2ccccc2s1)[N-]S(=O)(=O)c1ccccc1 ZINC000042232249 1112828728 /nfs/dbraw/zinc/82/87/28/1112828728.db2.gz SXDGQEFLXINABN-UHFFFAOYSA-N -1 0 374.487 4.355 20 30 FIEDRM O=C(Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000042233011 1112839095 /nfs/dbraw/zinc/83/90/95/1112839095.db2.gz IWWIJFKZNUSDIJ-UHFFFAOYSA-N -1 0 364.426 4.209 20 30 FIEDRM COc1ccccc1CCC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000042233052 1112840219 /nfs/dbraw/zinc/84/02/19/1112840219.db2.gz WPKYQNQSPLSRTE-UHFFFAOYSA-N -1 0 369.442 4.126 20 30 FIEDRM Cc1ccc(C(=O)CCC(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000042258234 1112953811 /nfs/dbraw/zinc/95/38/11/1112953811.db2.gz FABJCIINHQYCFP-UHFFFAOYSA-N -1 0 371.867 4.018 20 30 FIEDRM CSc1c(C([O-])=C(C#N)c2nc(-c3ccc(C)cc3)cs2)cnn1C ZINC000482561470 1113296241 /nfs/dbraw/zinc/29/62/41/1113296241.db2.gz RVWJANBJZJNWJK-ZDUSSCGKSA-N -1 0 368.487 4.064 20 30 FIEDRM Cc1cc(C(=O)[C@@H](C#N)c2nccc3ccccc32)c2cnn(C(C)C)c2n1 ZINC000483189564 1113463377 /nfs/dbraw/zinc/46/33/77/1113463377.db2.gz CDKSLTROQRAOMG-SFHVURJKSA-N -1 0 369.428 4.359 20 30 FIEDRM N#CC(=C([O-])c1ncsc1-c1ccccc1)c1cnc2ccccc2n1 ZINC000483208230 1113465692 /nfs/dbraw/zinc/46/56/92/1113465692.db2.gz HMEPCFISMWLGBD-CQSZACIVSA-N -1 0 356.410 4.243 20 30 FIEDRM C=CCOc1ccccc1C(=O)NCc1c(C(=O)[O-])sc2ccsc21 ZINC000486402926 1113560548 /nfs/dbraw/zinc/56/05/48/1113560548.db2.gz YMZHPSYPBJSAFK-UHFFFAOYSA-N -1 0 373.455 4.156 20 30 FIEDRM Fc1ccccc1-c1ccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)s1 ZINC000912785162 1114202874 /nfs/dbraw/zinc/20/28/74/1114202874.db2.gz RCXPKZXPAAZLQF-UHFFFAOYSA-N -1 0 372.372 4.335 20 30 FIEDRM Cc1cnc2c(cccc2S(=O)(=O)[N-]C(=O)Cc2ccccc2Cl)c1 ZINC000045099046 1114560634 /nfs/dbraw/zinc/56/06/34/1114560634.db2.gz SWZZMEFSZMTEQQ-UHFFFAOYSA-N -1 0 374.849 4.085 20 30 FIEDRM N#Cc1ccc(OC2CCN(Cc3cccc(O)c3Cl)CC2)c(F)c1 ZINC000590366554 1114925510 /nfs/dbraw/zinc/92/55/10/1114925510.db2.gz GFFAVDLPFBJSHL-UHFFFAOYSA-N -1 0 360.816 4.100 20 30 FIEDRM Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCCCC(=O)[O-] ZINC000591352981 1115068590 /nfs/dbraw/zinc/06/85/90/1115068590.db2.gz YQKHQTZFYGZPDG-UHFFFAOYSA-N -1 0 367.405 4.035 20 30 FIEDRM Cc1ocnc1C([O-])=C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000591862296 1115165641 /nfs/dbraw/zinc/16/56/41/1115165641.db2.gz NTNCYUAQFGFDAX-VIFPVBQESA-N -1 0 351.309 4.102 20 30 FIEDRM [O-]c1c(Br)cc(Br)cc1/C=N/C1CC(F)(F)C1 ZINC000760990056 1115251763 /nfs/dbraw/zinc/25/17/63/1115251763.db2.gz KJICVUBEDHTCPO-FZSIALSZSA-N -1 0 369.003 4.134 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H](C)OC1CCCCCC1 ZINC000761001225 1115267920 /nfs/dbraw/zinc/26/79/20/1115267920.db2.gz JGAKDMLMUWRAOV-CRAIPNDOSA-N -1 0 366.461 4.496 20 30 FIEDRM N#CC(=C([O-])c1cnn(-c2ccccc2)c1)c1nc2cc(F)ccc2s1 ZINC000592974732 1115272630 /nfs/dbraw/zinc/27/26/30/1115272630.db2.gz YFFGYEMTUUYGHH-OAHLLOKOSA-N -1 0 362.389 4.111 20 30 FIEDRM CC(=O)Nc1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)ccc1C ZINC000592974054 1115272747 /nfs/dbraw/zinc/27/27/47/1115272747.db2.gz NCLRRDDKFVQNSO-AWEZNQCLSA-N -1 0 367.405 4.192 20 30 FIEDRM Cc1ccc(-c2cc(C([O-])=C(C#N)c3nc4cc(F)ccc4s3)n[nH]2)o1 ZINC000592974251 1115272936 /nfs/dbraw/zinc/27/29/36/1115272936.db2.gz QLUOGMHKAKGHPN-NSHDSACASA-N -1 0 366.377 4.217 20 30 FIEDRM Cc1cc2c[nH]nc2c(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)c1 ZINC000592974571 1115272956 /nfs/dbraw/zinc/27/29/56/1115272956.db2.gz UIJRGNSVMDFOEL-CYBMUJFWSA-N -1 0 350.378 4.110 20 30 FIEDRM CC(C)Oc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000593196164 1115305400 /nfs/dbraw/zinc/30/54/00/1115305400.db2.gz QFCMMAXMGXBPLG-UHFFFAOYSA-N -1 0 358.463 4.076 20 30 FIEDRM CCCCc1ccc2nc([N-]S(=O)(=O)c3ccc(C#N)cc3)sc2c1 ZINC000058707908 1115309594 /nfs/dbraw/zinc/30/95/94/1115309594.db2.gz AESTWIQONRGZJU-UHFFFAOYSA-N -1 0 371.487 4.311 20 30 FIEDRM CC(C)(C)c1cnc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)s1 ZINC000593277602 1115316191 /nfs/dbraw/zinc/31/61/91/1115316191.db2.gz XFZNNVZXLKGWQX-UHFFFAOYSA-N -1 0 363.508 4.043 20 30 FIEDRM Cc1nnc(-c2cccc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)c2)o1 ZINC000574824970 1115499042 /nfs/dbraw/zinc/49/90/42/1115499042.db2.gz NIKQUCZIVXYQQF-CQSZACIVSA-N -1 0 366.446 4.289 20 30 FIEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000046927944 1115549285 /nfs/dbraw/zinc/54/92/85/1115549285.db2.gz ZOGAHHNCTYEDCV-UHFFFAOYSA-N -1 0 367.854 4.151 20 30 FIEDRM O=C([O-])CCOc1cccc(/C=C2\CCc3ccc(Cl)cc3C2=O)c1 ZINC000761206815 1115621632 /nfs/dbraw/zinc/62/16/32/1115621632.db2.gz TVERLQDSMPQLAE-XNTDXEJSSA-N -1 0 356.805 4.406 20 30 FIEDRM COc1cc(/C=C2/CCc3ccc(Cl)cc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000761205974 1115624775 /nfs/dbraw/zinc/62/47/75/1115624775.db2.gz MDJDBVVLCQVRNQ-SDQBBNPISA-N -1 0 359.765 4.175 20 30 FIEDRM Cc1ccc(C)c(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1C(=O)[O-] ZINC000601985706 1115676888 /nfs/dbraw/zinc/67/68/88/1115676888.db2.gz RXHJFQRRVJLWBK-UHFFFAOYSA-N -1 0 362.307 4.144 20 30 FIEDRM C[C@H]1c2c(C#N)c([N-]C(=O)c3ocnc3C(F)F)sc2CC[C@@H]1C ZINC000602344912 1115698080 /nfs/dbraw/zinc/69/80/80/1115698080.db2.gz XJODDDFHHXGHFG-JGVFFNPUSA-N -1 0 351.378 4.483 20 30 FIEDRM COc1ccc(C2(C(=O)[N-]S(=O)(=O)c3cccc(C)c3)CCCC2)cc1 ZINC000060765961 1115702547 /nfs/dbraw/zinc/70/25/47/1115702547.db2.gz ZVQQTCWVTFXHEG-UHFFFAOYSA-N -1 0 373.474 4.161 20 30 FIEDRM CCSc1ccc(C([O-])=C(C#N)C(=O)c2c(C)[nH]c3ccccc32)cn1 ZINC000171033927 1115825010 /nfs/dbraw/zinc/82/50/10/1115825010.db2.gz DCNQZMHAUFMIKR-HNNXBMFYSA-N -1 0 363.442 4.189 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1nccc2ccccc21 ZINC000172019035 1115905854 /nfs/dbraw/zinc/90/58/54/1115905854.db2.gz GVBSPJLTAADOIR-QGZVFWFLSA-N -1 0 353.381 4.230 20 30 FIEDRM CCc1ocnc1C([O-])=C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000607009524 1115989425 /nfs/dbraw/zinc/98/94/25/1115989425.db2.gz RXDHAQUAYICSLG-VIFPVBQESA-N -1 0 365.336 4.356 20 30 FIEDRM N#CC(=C([O-])c1ccn(-c2cccc(F)c2)n1)c1nc2ccccc2s1 ZINC000063235124 1116026797 /nfs/dbraw/zinc/02/67/97/1116026797.db2.gz QQKAYSDSLUPXST-CQSZACIVSA-N -1 0 362.389 4.111 20 30 FIEDRM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)CCCCc2ccc(C)cc2)cc1 ZINC000064099624 1116141995 /nfs/dbraw/zinc/14/19/95/1116141995.db2.gz WBOJPLBMLXTOLP-UHFFFAOYSA-N -1 0 373.474 4.256 20 30 FIEDRM CO[C@@H](C)c1nc(=Nc2ccc(Oc3cccc(C#N)c3)cc2)s[n-]1 ZINC000509706680 1116229189 /nfs/dbraw/zinc/22/91/89/1116229189.db2.gz AMQTYNOXMOEYJQ-LBPRGKRZSA-N -1 0 352.419 4.075 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1[O-] ZINC000442727110 1116293666 /nfs/dbraw/zinc/29/36/66/1116293666.db2.gz AFYUXRIQKKEVFY-UHFFFAOYSA-N -1 0 369.833 4.217 20 30 FIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(-c2cccs2)c1 ZINC000463531352 1118197346 /nfs/dbraw/zinc/19/73/46/1118197346.db2.gz IBVXGCJWXHLKMM-UHFFFAOYSA-N -1 0 370.455 4.096 20 30 FIEDRM Cc1nc(C(F)(F)F)sc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1 ZINC000464187798 1118476750 /nfs/dbraw/zinc/47/67/50/1118476750.db2.gz ZSKOCMWEAJKINO-VIFPVBQESA-N -1 0 364.352 4.145 20 30 FIEDRM N#CC(=C([O-])c1ncoc1-c1cccc(C(F)(F)F)c1)c1ccccn1 ZINC000541354449 1118488965 /nfs/dbraw/zinc/48/89/65/1118488965.db2.gz GXVKPVBMEDTMIT-ZDUSSCGKSA-N -1 0 357.291 4.245 20 30 FIEDRM CCC(CC)n1ncc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1C ZINC000464463692 1118570762 /nfs/dbraw/zinc/57/07/62/1118570762.db2.gz CBVSAFNGYHREPH-CQSZACIVSA-N -1 0 364.371 4.457 20 30 FIEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C)CCCCCC)cc2[n-]c1=S ZINC000031093663 1119252529 /nfs/dbraw/zinc/25/25/29/1119252529.db2.gz ICZYXQKDEYIMKB-AWEZNQCLSA-N -1 0 373.522 4.334 20 30 FIEDRM Cc1nc(C(F)(F)F)ccc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000177749403 1119348641 /nfs/dbraw/zinc/34/86/41/1119348641.db2.gz BZEPAFLCTYQBID-NSHDSACASA-N -1 0 353.369 4.479 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc(OCC(F)(F)F)nc2)n1 ZINC000177757320 1119349600 /nfs/dbraw/zinc/34/96/00/1119349600.db2.gz MJXWVCZEVJCKMC-LLVKDONJSA-N -1 0 369.368 4.093 20 30 FIEDRM Cc1cc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)sc1Cl ZINC000190244456 1119931927 /nfs/dbraw/zinc/93/19/27/1119931927.db2.gz MKCRLUYNUWUGEU-UHFFFAOYSA-N -1 0 370.883 4.193 20 30 FIEDRM Cn1cc(Cl)cc1C([O-])=C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000193665000 1120173003 /nfs/dbraw/zinc/17/30/03/1120173003.db2.gz SWRRITDBOIFAMY-AWEZNQCLSA-N -1 0 366.833 4.164 20 30 FIEDRM C[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccc(OC(F)(F)F)cc1 ZINC000914701788 1120477915 /nfs/dbraw/zinc/47/79/15/1120477915.db2.gz QDSHROATLYSFIH-ZFKRWFGPSA-N -1 0 354.284 4.379 20 30 FIEDRM CC1(C)c2ccc(C([O-])=C(C#N)c3nc4ccccc4s3)cc2NC1=O ZINC000495289916 1120631351 /nfs/dbraw/zinc/63/13/51/1120631351.db2.gz BTUUTQGLDIMCMD-LBPRGKRZSA-N -1 0 361.426 4.016 20 30 FIEDRM N#CC(=C([O-])c1cnc(C(F)(F)F)c(C#N)c1)c1nc2ccccc2s1 ZINC000495285008 1120631794 /nfs/dbraw/zinc/63/17/94/1120631794.db2.gz GXWVHTKETHVPMV-LLVKDONJSA-N -1 0 372.331 4.072 20 30 FIEDRM N#Cc1ccc([O-])c(NC(=O)c2cc3ccccc3cc2OC(F)F)c1 ZINC000762076720 1120697463 /nfs/dbraw/zinc/69/74/63/1120697463.db2.gz MFGGEUBFMJYZDI-UHFFFAOYSA-N -1 0 354.312 4.271 20 30 FIEDRM O=C([O-])Cc1ccc(C(=O)/C=C\c2ccccc2OC(F)(F)F)cc1 ZINC000915106188 1120814625 /nfs/dbraw/zinc/81/46/25/1120814625.db2.gz NDFHYOJVWOIZST-KTKRTIGZSA-N -1 0 350.292 4.108 20 30 FIEDRM COc1cc([C@@H](C)/N=C\c2cc([N+](=O)[O-])ccc2[O-])ccc1OC(C)C ZINC000915113563 1120821219 /nfs/dbraw/zinc/82/12/19/1120821219.db2.gz YWAHWRBUMUPHND-RBFBNPFJSA-N -1 0 358.394 4.276 20 30 FIEDRM CCOc1cc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])ccc1OC ZINC000915981935 1121362668 /nfs/dbraw/zinc/36/26/68/1121362668.db2.gz ZOLOAGOISLTAAC-UHFFFAOYSA-N -1 0 350.758 4.112 20 30 FIEDRM CC(C)Oc1ccc(C(=O)/C=C/c2ccc(OCCC(=O)[O-])cc2)cc1 ZINC000915986086 1121365915 /nfs/dbraw/zinc/36/59/15/1121365915.db2.gz UPJYQNYVBHOXEA-LFYBBSHMSA-N -1 0 354.402 4.223 20 30 FIEDRM Cc1c2ccccc2oc1C(=O)/C=C\c1ccc(OCCC(=O)[O-])cc1 ZINC000915987280 1121367321 /nfs/dbraw/zinc/36/73/21/1121367321.db2.gz BSYVRCWRGAMQOI-FLIBITNWSA-N -1 0 350.370 4.491 20 30 FIEDRM O=C([O-])Cc1ccc(C(=O)/C=C\c2ccccc2OCc2ccccn2)cc1 ZINC000915988285 1121368106 /nfs/dbraw/zinc/36/81/06/1121368106.db2.gz TVXRUSFHRVURON-SEYXRHQNSA-N -1 0 373.408 4.184 20 30 FIEDRM O=C([O-])Cc1ccc(C(=O)/C=C\c2ccc(OCc3ccncc3)cc2)cc1 ZINC000915988219 1121368358 /nfs/dbraw/zinc/36/83/58/1121368358.db2.gz SMDDENATKDMYBF-YHYXMXQVSA-N -1 0 373.408 4.184 20 30 FIEDRM O=C([O-])CCOc1ccc(/C=C\C(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000915989103 1121369299 /nfs/dbraw/zinc/36/92/99/1121369299.db2.gz XXQRZQBVXWHBGZ-KMKOMSMNSA-N -1 0 364.319 4.455 20 30 FIEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc(C)n(-c2cccc(C)c2)c1C ZINC000916874374 1121905810 /nfs/dbraw/zinc/90/58/10/1121905810.db2.gz CFSGKSIFIMRPMQ-FQEVSTJZSA-N -1 0 365.477 4.031 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1oc2ccc(Cl)cc2c1C ZINC000916876013 1121906699 /nfs/dbraw/zinc/90/66/99/1121906699.db2.gz NKVFUIQJOKFTGD-OAHLLOKOSA-N -1 0 360.841 4.414 20 30 FIEDRM O=C([O-])c1cccc(NN=Cc2c(-c3ccccc3)nc3sccn23)c1 ZINC000917022873 1122009097 /nfs/dbraw/zinc/00/90/97/1122009097.db2.gz LEEMCUMVTKRJNY-UHFFFAOYSA-N -1 0 362.414 4.207 20 30 FIEDRM N#CC(=C([O-])c1cnn(-c2cccc(Cl)c2)c1)c1nc2ccccc2o1 ZINC000066516588 1122070305 /nfs/dbraw/zinc/07/03/05/1122070305.db2.gz LJRGGZLQGRKTJJ-HNNXBMFYSA-N -1 0 362.776 4.157 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cc(C(C)C)[nH]n3)n2)cc1 ZINC000066544374 1122072101 /nfs/dbraw/zinc/07/21/01/1122072101.db2.gz STLNHOCDYYZOOB-AWEZNQCLSA-N -1 0 366.446 4.155 20 30 FIEDRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)c1 ZINC000066814091 1122098434 /nfs/dbraw/zinc/09/84/34/1122098434.db2.gz RBYRTUUMNXFZOJ-ZDUSSCGKSA-N -1 0 364.467 4.329 20 30 FIEDRM CC(=NNc1nnc(C)c(=O)[n-]1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000917567237 1122356413 /nfs/dbraw/zinc/35/64/13/1122356413.db2.gz BVXAUTJSDRTJGS-UHFFFAOYSA-N -1 0 359.842 4.104 20 30 FIEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1ccccc1Br)CC2 ZINC000920065640 1123325651 /nfs/dbraw/zinc/32/56/51/1123325651.db2.gz CIZSDGNQQMUEOZ-DHZHZOJOSA-N -1 0 361.191 4.261 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCOc1c(C)cccc1C ZINC000920105783 1123352155 /nfs/dbraw/zinc/35/21/55/1123352155.db2.gz LYPLBKWRTOQHOF-GOSISDBHSA-N -1 0 374.440 4.454 20 30 FIEDRM CN(C)c1ccc(Cl)cc1N=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000920944354 1123540105 /nfs/dbraw/zinc/54/01/05/1123540105.db2.gz VGEHMVIRWGETAC-UHFFFAOYSA-N -1 0 354.193 4.424 20 30 FIEDRM O=C([O-])c1ccc(C(=O)/C=C\c2ccc(OCC(F)(F)F)cc2)s1 ZINC000921266033 1123607120 /nfs/dbraw/zinc/60/71/20/1123607120.db2.gz VCRZOZCVVIZLRE-UTCJRWHESA-N -1 0 356.321 4.284 20 30 FIEDRM N#CCCSc1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000609379797 1123697236 /nfs/dbraw/zinc/69/72/36/1123697236.db2.gz FBYBQYZPLVBIEH-UHFFFAOYSA-N -1 0 370.858 4.286 20 30 FIEDRM N#CC(=C([O-])c1ccc(C#N)cc1)c1nc(-c2c(F)cccc2F)cs1 ZINC000064714203 1123927647 /nfs/dbraw/zinc/92/76/47/1123927647.db2.gz TYPQJHTXWLTBMT-ZDUSSCGKSA-N -1 0 365.364 4.450 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc3ccccc3s2)n1 ZINC000067896004 1123982770 /nfs/dbraw/zinc/98/27/70/1123982770.db2.gz KDUDFYKEMDXLDP-LLVKDONJSA-N -1 0 356.428 4.025 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2SC[C@@H](C)C#N)c(F)c1 ZINC000108252114 1124270978 /nfs/dbraw/zinc/27/09/78/1124270978.db2.gz BWECWJIIPWQDFS-ZDUSSCGKSA-N -1 0 364.467 4.187 20 30 FIEDRM C[C@@H](Cc1cccc(F)c1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000069282590 1124719648 /nfs/dbraw/zinc/71/96/48/1124719648.db2.gz NZLRKJUFNLBVJG-VIFPVBQESA-N -1 0 361.847 4.065 20 30 FIEDRM Cc1ccsc1C(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000069641485 1125079398 /nfs/dbraw/zinc/07/93/98/1125079398.db2.gz HSECUSLLXNXGSV-UHFFFAOYSA-N -1 0 356.277 4.118 20 30 FIEDRM O=C(CCc1cccc(OC2CCCC2)c1)[N-]S(=O)(=O)c1ccccc1 ZINC000070028826 1125244153 /nfs/dbraw/zinc/24/41/53/1125244153.db2.gz KOTYABRGXCLXQD-UHFFFAOYSA-N -1 0 373.474 4.286 20 30 FIEDRM CC(C)CS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000070036224 1125245908 /nfs/dbraw/zinc/24/59/08/1125245908.db2.gz DLUAMUADYNIEJP-MNOVXSKESA-N -1 0 350.267 4.039 20 30 FIEDRM Cc1cncc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)c1 ZINC000132121063 1125274404 /nfs/dbraw/zinc/27/44/04/1125274404.db2.gz QLHQRJMLPAZVED-LBPRGKRZSA-N -1 0 355.369 4.282 20 30 FIEDRM Cc1sc2[nH]c(CN[C@H](C)CC#N)nc(=O)c2c1-c1ccc(C)cc1 ZINC000602867150 568008460 /nfs/dbraw/zinc/00/84/60/568008460.db2.gz BLJVSKBMECZNBZ-GFCCVEGCSA-N -1 0 352.463 4.073 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cn1 ZINC000436604242 568033674 /nfs/dbraw/zinc/03/36/74/568033674.db2.gz NLRQUKPAEFCQET-UHFFFAOYSA-N -1 0 372.409 4.188 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2oc3c(cccc3F)c2C)n1 ZINC000604433338 568286574 /nfs/dbraw/zinc/28/65/74/568286574.db2.gz GDVXNGARPPAEGL-LLVKDONJSA-N -1 0 372.377 4.004 20 30 FIEDRM N#CC(=C([O-])c1csc(Nc2ccccn2)n1)c1ccc2ccccc2n1 ZINC000606146280 568672543 /nfs/dbraw/zinc/67/25/43/568672543.db2.gz MNUFWUGJTQVGKY-CQSZACIVSA-N -1 0 371.425 4.320 20 30 FIEDRM CC(C)(C)OC(=O)N[C@@](C)(C(=O)[O-])c1ccc(-c2ccc(C#N)s2)cc1 ZINC000863973072 939245826 /nfs/dbraw/zinc/24/58/26/939245826.db2.gz BXUSAXUYABZUIX-LJQANCHMSA-N -1 0 372.446 4.111 20 30 FIEDRM N#Cc1ccc(CNC(=O)c2c([O-])cc(Cl)cc2Cl)cc1Cl ZINC000619780504 1125694996 /nfs/dbraw/zinc/69/49/96/1125694996.db2.gz TZNIQMACZDAJQL-UHFFFAOYSA-N -1 0 355.608 4.154 20 30 FIEDRM C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000183128806 1125754946 /nfs/dbraw/zinc/75/49/46/1125754946.db2.gz HRMOTNXBZMFBLG-GFCCVEGCSA-N -1 0 364.492 4.137 20 30 FIEDRM COc1cc(C#N)c(F)cc1Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001211490061 1079657140 /nfs/dbraw/zinc/65/71/40/1079657140.db2.gz NRUOKDHLLLRDEJ-UHFFFAOYSA-N -1 0 354.259 4.167 20 30 FIEDRM N#CC(=C([O-])c1ccc(OCC(F)(F)F)o1)c1nc(C2CC2)cs1 ZINC000654999646 1079843961 /nfs/dbraw/zinc/84/39/61/1079843961.db2.gz YQGUHWYCMAIXRS-VIFPVBQESA-N -1 0 356.325 4.045 20 30 FIEDRM N#CC(=C([O-])c1ccc(OCC(F)(F)F)o1)c1nc(C2CC2)cs1 ZINC000654999645 1079844239 /nfs/dbraw/zinc/84/42/39/1079844239.db2.gz YQGUHWYCMAIXRS-SECBINFHSA-N -1 0 356.325 4.045 20 30 FIEDRM C[C@@H](/N=C/c1cc(Cl)cc(Cl)c1[O-])c1ccc2c(c1)CC(=O)N2C ZINC000728226084 1080578293 /nfs/dbraw/zinc/57/82/93/1080578293.db2.gz HJFAIRCVSGQSDB-PRMNVEQPSA-N -1 0 363.244 4.398 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CSc1ccc(C)cc1 ZINC000121026830 1081215263 /nfs/dbraw/zinc/21/52/63/1081215263.db2.gz PGDVHDALKBTOBX-QGZVFWFLSA-N -1 0 362.454 4.469 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CSc1ccc(C)cc1 ZINC000121026969 1081215650 /nfs/dbraw/zinc/21/56/50/1081215650.db2.gz PGDVHDALKBTOBX-KRWDZBQOSA-N -1 0 362.454 4.469 20 30 FIEDRM CC(C)Oc1ccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)nc1 ZINC000683689961 1081387679 /nfs/dbraw/zinc/38/76/79/1081387679.db2.gz VMSWHKWULJCZID-ZDUSSCGKSA-N -1 0 355.394 4.108 20 30 FIEDRM Cc1c2cc(Cl)ccc2oc1C([O-])=C(C#N)C(=O)NC1CCCCC1 ZINC000050679596 1082283002 /nfs/dbraw/zinc/28/30/02/1082283002.db2.gz YVTMQIMEYHIWRI-OAHLLOKOSA-N -1 0 358.825 4.166 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccn(-c3ccccc3F)n2)s1 ZINC000430611113 1082668056 /nfs/dbraw/zinc/66/80/56/1082668056.db2.gz NEZKIFZFUSWDMT-GFCCVEGCSA-N -1 0 368.437 4.255 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccn(-c3ccc(F)cc3)n2)s1 ZINC000430616096 1082705323 /nfs/dbraw/zinc/70/53/23/1082705323.db2.gz DOXQXUBUAZLLTR-AWEZNQCLSA-N -1 0 368.437 4.255 20 30 FIEDRM CCCc1cc(C([O-])=C(C#N)c2nc(-c3ccc(C)cc3)cs2)n[nH]1 ZINC000051151978 1082783104 /nfs/dbraw/zinc/78/31/04/1082783104.db2.gz SISVYIMZFSLTFA-OAHLLOKOSA-N -1 0 350.447 4.284 20 30 FIEDRM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1occc1-c1ccccc1 ZINC000077881033 1082797764 /nfs/dbraw/zinc/79/77/64/1082797764.db2.gz CIUMWHUDRZYUCI-AWEZNQCLSA-N -1 0 355.415 4.342 20 30 FIEDRM CCc1cccc2c(CC(=O)[N-]S(=O)(=O)[C@@H](C)c3ccccc3)c[nH]c21 ZINC000077880516 1082797952 /nfs/dbraw/zinc/79/79/52/1082797952.db2.gz DNUXONVUXJZCDH-AWEZNQCLSA-N -1 0 370.474 4.320 20 30 FIEDRM Cc1ncsc1C([O-])=C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000121526577 1083003807 /nfs/dbraw/zinc/00/38/07/1083003807.db2.gz XGBKSHQSCMVFPN-SECBINFHSA-N -1 0 361.398 4.343 20 30 FIEDRM N#CC(=C([O-])c1csc(Br)c1)c1nc(C2CC2)cs1 ZINC000647376917 1083363001 /nfs/dbraw/zinc/36/30/01/1083363001.db2.gz DEKIGJQDOWHWAK-VIFPVBQESA-N -1 0 353.266 4.335 20 30 FIEDRM C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1 ZINC000647377246 1083363174 /nfs/dbraw/zinc/36/31/74/1083363174.db2.gz ZPYVNHHVIIEIBI-RLCCDNCMSA-N -1 0 365.458 4.105 20 30 FIEDRM O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(Br)cc1F ZINC000255846319 1083603425 /nfs/dbraw/zinc/60/34/25/1083603425.db2.gz PJDJRZLCBBSZCW-KTAJNNJTSA-N -1 0 366.142 4.098 20 30 FIEDRM C[C@@]1(C#N)CCCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])C1 ZINC000612368046 1083750978 /nfs/dbraw/zinc/75/09/78/1083750978.db2.gz UPJIYENBLZPISU-FQEVSTJZSA-N -1 0 354.837 4.478 20 30 FIEDRM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cnc(C3CC3)o2)cc1 ZINC000892501147 1083870225 /nfs/dbraw/zinc/87/02/25/1083870225.db2.gz KNRHVLSONVXCFJ-BLLLJJGKSA-N -1 0 351.406 4.027 20 30 FIEDRM CC[C@@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2cnc(C3CC3)o2)cc1 ZINC000892501149 1083872290 /nfs/dbraw/zinc/87/22/90/1083872290.db2.gz KNRHVLSONVXCFJ-MLGOLLRUSA-N -1 0 351.406 4.027 20 30 FIEDRM Cc1ccc(N=c2[n-]nc(SCc3ccnc(C#N)c3)s2)cc1Cl ZINC000610955360 1083879618 /nfs/dbraw/zinc/87/96/18/1083879618.db2.gz DDRRMZGHXJPBCU-UHFFFAOYSA-N -1 0 373.894 4.224 20 30 FIEDRM N#CC(=C([O-])c1c[nH]c(C#N)c1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000181422540 1083900854 /nfs/dbraw/zinc/90/08/54/1083900854.db2.gz YMMPRGPSZODNHN-AWEZNQCLSA-N -1 0 352.806 4.153 20 30 FIEDRM Cc1nc(-c2ccccc2)oc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000181391421 1083901424 /nfs/dbraw/zinc/90/14/24/1083901424.db2.gz WFPNBKNJTYMWIS-HNNXBMFYSA-N -1 0 356.385 4.027 20 30 FIEDRM CSc1cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)ccn1 ZINC000181424786 1083911220 /nfs/dbraw/zinc/91/12/20/1083911220.db2.gz OGKAOBIDXHHRLR-AWEZNQCLSA-N -1 0 351.456 4.417 20 30 FIEDRM C=CCCc1ccc(-c2ccc(C(=O)N3CCC(C(=O)[O-])CC3)cc2)cc1 ZINC000657205755 1083971685 /nfs/dbraw/zinc/97/16/85/1083971685.db2.gz JKKIHGBEPCHFDE-UHFFFAOYSA-N -1 0 363.457 4.409 20 30 FIEDRM O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc(OCc3ccccn3)c(F)c2)c1 ZINC000255442236 1084134497 /nfs/dbraw/zinc/13/44/97/1084134497.db2.gz AQFGLDIPUCAKJQ-UHFFFAOYSA-N -1 0 367.336 4.164 20 30 FIEDRM CCOc1cc(/C=C/C(=O)c2ccc([O-])c(F)c2)ccc1OC(F)F ZINC000728438486 1084171572 /nfs/dbraw/zinc/17/15/72/1084171572.db2.gz GFSOGIBRSHJUDZ-ZZXKWVIFSA-N -1 0 352.308 4.428 20 30 FIEDRM [O-]c1c(Cl)cc(Cl)cc1/C=N\C1CCC(O)(c2cccnc2)CC1 ZINC000588488900 1084210974 /nfs/dbraw/zinc/21/09/74/1084210974.db2.gz JOVGYPKJDGTGEV-YVNNLAQVSA-N -1 0 365.260 4.343 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C[C@H](c2ccccc2)C(C)C)n1 ZINC000728638879 1084357743 /nfs/dbraw/zinc/35/77/43/1084357743.db2.gz NWFYWGMGKVWCRP-IRXDYDNUSA-N -1 0 370.474 4.001 20 30 FIEDRM COc1ccc2c(c1)CCC[C@@H]2CC(=O)[N-]S(=O)(=O)c1cccc(C)c1 ZINC000066504000 1084567723 /nfs/dbraw/zinc/56/77/23/1084567723.db2.gz YSIHGHIBGWUBCO-MRXNPFEDSA-N -1 0 373.474 4.159 20 30 FIEDRM O=C([O-])CCCOc1ccc(C(=O)/C=C/c2ccc(O)c(Cl)c2)cc1 ZINC000072042046 1084602613 /nfs/dbraw/zinc/60/26/13/1084602613.db2.gz JCCNWGCZMJCQAZ-YCRREMRBSA-N -1 0 360.793 4.185 20 30 FIEDRM CCn1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c1C1CC1 ZINC000892538859 1084609701 /nfs/dbraw/zinc/60/97/01/1084609701.db2.gz PHBMLFAFIRSFBJ-LBPRGKRZSA-N -1 0 369.375 4.015 20 30 FIEDRM COc1ccc(-c2ncc(C([O-])=C(C#N)c3nc(C)cs3)s2)cc1 ZINC000173898274 1084707324 /nfs/dbraw/zinc/70/73/24/1084707324.db2.gz VIRRHYJNEMASIW-CYBMUJFWSA-N -1 0 355.444 4.074 20 30 FIEDRM CC(C)Cn1ncc(C([O-])=C(C#N)c2nccc3ccccc32)c1C1CC1 ZINC000582156930 1084724157 /nfs/dbraw/zinc/72/41/57/1084724157.db2.gz DXFSYHDZHHYGQD-GOSISDBHSA-N -1 0 358.445 4.455 20 30 FIEDRM N#CC(=C([O-])c1cnc(-c2cccnc2)s1)c1nccc2ccccc21 ZINC000582234480 1084784975 /nfs/dbraw/zinc/78/49/75/1084784975.db2.gz TXYHVZFEFWRYMC-MRXNPFEDSA-N -1 0 356.410 4.243 20 30 FIEDRM COc1cccc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)c1OC ZINC000120006290 1084791492 /nfs/dbraw/zinc/79/14/92/1084791492.db2.gz XPOMFURDBDQXKJ-GFCCVEGCSA-N -1 0 372.833 4.457 20 30 FIEDRM O=C(/C=C\c1csc(-c2ccsc2)n1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000255891572 1084866614 /nfs/dbraw/zinc/86/66/14/1084866614.db2.gz MBZKMHCSJRWVBC-RQOWECAXSA-N -1 0 358.400 4.382 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCCOc2ccccc2Cl)cc1 ZINC000051896486 1085702456 /nfs/dbraw/zinc/70/24/56/1085702456.db2.gz BYMISBHXAVUVLQ-UHFFFAOYSA-N -1 0 367.854 4.153 20 30 FIEDRM N#CC(=C([O-])c1csc([C@H]2CCCO2)n1)c1nc2ccccc2s1 ZINC000535976329 1086481349 /nfs/dbraw/zinc/48/13/49/1086481349.db2.gz YUVJGYULNWGZMV-ZWNOBZJWSA-N -1 0 355.444 4.094 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2csc(CCc3ccccc3)n2)n1 ZINC000107407936 1086798947 /nfs/dbraw/zinc/79/89/47/1086798947.db2.gz CBZMJLYHVYERCU-CQSZACIVSA-N -1 0 353.472 4.183 20 30 FIEDRM CCC(CC)n1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)n1 ZINC000432488908 1086842135 /nfs/dbraw/zinc/84/21/35/1086842135.db2.gz MCBOMIVYJSZNRV-HNNXBMFYSA-N -1 0 365.462 4.253 20 30 FIEDRM CSC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000067001227 1086905282 /nfs/dbraw/zinc/90/52/82/1086905282.db2.gz QOHFWJUKPAVUMW-CYBMUJFWSA-N -1 0 355.525 4.379 20 30 FIEDRM COCc1c(C(=O)Nc2cc(C#N)ccc2[O-])sc2cccc(F)c21 ZINC000176826471 1087286116 /nfs/dbraw/zinc/28/61/16/1087286116.db2.gz GYDXJVTVLHSMGF-UHFFFAOYSA-N -1 0 356.378 4.016 20 30 FIEDRM CC(C)CCSCC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000065762947 1087734856 /nfs/dbraw/zinc/73/48/56/1087734856.db2.gz WYOQEBQMOKOUBX-UHFFFAOYSA-N -1 0 351.493 4.264 20 30 FIEDRM N#CC(=C([O-])c1nn(-c2ccccc2)c2c1CCC2)c1nc(C2CC2)cs1 ZINC000647374151 1087790519 /nfs/dbraw/zinc/79/05/19/1087790519.db2.gz XDRWNEFDABVMIA-MRXNPFEDSA-N -1 0 374.469 4.185 20 30 FIEDRM CCCCCc1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)n[nH]1 ZINC000659115459 1088121833 /nfs/dbraw/zinc/12/18/33/1088121833.db2.gz YTSRGIFMIUWEBE-CYBMUJFWSA-N -1 0 350.344 4.046 20 30 FIEDRM COC(=O)Nc1ccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1F ZINC000588423436 1088630008 /nfs/dbraw/zinc/63/00/08/1088630008.db2.gz LYEYMXSRCUGIOH-UHFFFAOYSA-N -1 0 367.720 4.022 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc1[O-] ZINC000190031580 1088827490 /nfs/dbraw/zinc/82/74/90/1088827490.db2.gz UXPWCPVVXIGAMW-UHFFFAOYSA-N -1 0 372.384 4.160 20 30 FIEDRM CC(C)c1noc(-c2ccccc2C([O-])=C(C#N)c2nc3ccccc3o2)n1 ZINC000505451967 1088879607 /nfs/dbraw/zinc/87/96/07/1088879607.db2.gz VLXFTRBNAHTHHW-OAHLLOKOSA-N -1 0 372.384 4.491 20 30 FIEDRM C[C@H]1CCc2onc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)c2C1 ZINC000514651771 1089309793 /nfs/dbraw/zinc/30/97/93/1089309793.db2.gz GETODMREKPZMKH-CMPLNLGQSA-N -1 0 370.359 4.034 20 30 FIEDRM Cc1oc(Br)cc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000425310182 1089448500 /nfs/dbraw/zinc/44/85/00/1089448500.db2.gz XJYOWOKTHHKJQZ-JTQLQIEISA-N -1 0 353.241 4.421 20 30 FIEDRM CC(=O)CCCCCCC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000122846904 1090088707 /nfs/dbraw/zinc/08/87/07/1090088707.db2.gz MPHFQFDDDCBYNC-KRWDZBQOSA-N -1 0 352.434 4.298 20 30 FIEDRM Cc1c2cc(Cl)ccc2oc1C([O-])=C(C#N)c1nnc2n1CCCCC2 ZINC000041509219 1090233200 /nfs/dbraw/zinc/23/32/00/1090233200.db2.gz VCWBEFDVYCBKBO-AWEZNQCLSA-N -1 0 368.824 4.203 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cccc3c2OCCCO3)s1 ZINC000651352688 1090281281 /nfs/dbraw/zinc/28/12/81/1090281281.db2.gz FXLZOBNFCGKZPG-CYBMUJFWSA-N -1 0 356.447 4.092 20 30 FIEDRM C=CCOc1ccc(CNc2ccc([C@H](C)CC(=O)[O-])cc2)cc1OC ZINC000417609606 1090938486 /nfs/dbraw/zinc/93/84/86/1090938486.db2.gz LNYFRHXPGHJOEK-OAHLLOKOSA-N -1 0 355.434 4.450 20 30 FIEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2C#N)c(C)s1 ZINC000566652750 1091261003 /nfs/dbraw/zinc/26/10/03/1091261003.db2.gz XXOVWNSSORZQBY-UHFFFAOYSA-N -1 0 360.382 4.056 20 30 FIEDRM N#CC(=C([O-])c1noc2c1CCCCC2)c1nc2ccccc2n1C(F)F ZINC000187269261 1091860733 /nfs/dbraw/zinc/86/07/33/1091860733.db2.gz JGLJBHKJXGRELT-GFCCVEGCSA-N -1 0 370.359 4.178 20 30 FIEDRM COc1cc(/C=C(\CC(=O)[O-])c2nc3ccccc3s2)ccc1C#N ZINC000442313946 1092560532 /nfs/dbraw/zinc/56/05/32/1092560532.db2.gz ZMXFTCMDRSZOPG-RIYZIHGNSA-N -1 0 350.399 4.192 20 30 FIEDRM C=C[C@@H](CC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)c1ccccc1 ZINC000191101262 1093004864 /nfs/dbraw/zinc/00/48/64/1093004864.db2.gz VQSKVXZAJXPYDJ-ZDUSSCGKSA-N -1 0 359.809 4.102 20 30 FIEDRM C=C(C)CCc1ccccc1NC1([P@@](=O)([O-])O)Cc2ccccc2C1 ZINC001167936803 1093943857 /nfs/dbraw/zinc/94/38/57/1093943857.db2.gz OIKDIXKLJTUCQM-UHFFFAOYSA-N -1 0 357.390 4.280 20 30 FIEDRM Cc1cccc(N=c2[n-]nc(Sc3ncc(C#N)cc3Cl)s2)c1 ZINC000513644359 1094261083 /nfs/dbraw/zinc/26/10/83/1094261083.db2.gz BCNDGRHQGQHHAO-UHFFFAOYSA-N -1 0 359.867 4.083 20 30 FIEDRM CCc1c(C([O-])=C(C#N)c2nc3ccccc3o2)cnn1-c1ccccc1 ZINC000041540130 1094647630 /nfs/dbraw/zinc/64/76/30/1094647630.db2.gz RQXSFSWWMFIFPL-HNNXBMFYSA-N -1 0 356.385 4.066 20 30 FIEDRM Cc1nc(-c2ccc(NC(=O)N[C@H]3CC34CCCCC4)cc2)cc(=O)[nH]1 ZINC000329127562 1094748890 /nfs/dbraw/zinc/74/88/90/1094748890.db2.gz UWUGMRJCAXUEPR-KRWDZBQOSA-N -1 0 352.438 4.206 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2-c2nc(C(C)(C)C)no2)n1 ZINC000182558486 1094788221 /nfs/dbraw/zinc/78/82/21/1094788221.db2.gz TULPRLOHWFFJSQ-CQSZACIVSA-N -1 0 366.446 4.289 20 30 FIEDRM O=C(NC1(c2ccc(Cl)cc2)CCCCC1)c1cccn2c([O-])nnc12 ZINC000329314576 1094837382 /nfs/dbraw/zinc/83/73/82/1094837382.db2.gz HAPUIRNDWMDFSC-UHFFFAOYSA-N -1 0 370.840 4.253 20 30 FIEDRM COc1cc(C(=O)[N-]c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)on1 ZINC000183367539 1095016210 /nfs/dbraw/zinc/01/62/10/1095016210.db2.gz FVBFFRPGYKQODJ-JTQLQIEISA-N -1 0 359.451 4.020 20 30 FIEDRM Cc1sc2ncc(/C([O-])=N/[C@H]3CCCCC34CCCC4)c(=O)n2c1C ZINC000329642158 1095049556 /nfs/dbraw/zinc/04/95/56/1095049556.db2.gz YEMUSBCMBMOCOX-HNNXBMFYSA-N -1 0 359.495 4.180 20 30 FIEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](c2ccccc2)C2CCCC2)cc1C#N ZINC000522760135 1095642402 /nfs/dbraw/zinc/64/24/02/1095642402.db2.gz RDZMDQZPGUSXRC-KRWDZBQOSA-N -1 0 367.474 4.042 20 30 FIEDRM Cc1cc(C)c([N+](=O)[O-])cc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000422117995 1096090513 /nfs/dbraw/zinc/09/05/13/1096090513.db2.gz HGLVTJJRWMXWIE-ZDUSSCGKSA-N -1 0 357.435 4.456 20 30 FIEDRM C[C@@H](N=c1[n-]nc(Cc2ccc(Cl)cc2)s1)c1cccc(C#N)c1 ZINC000614510816 1099328468 /nfs/dbraw/zinc/32/84/68/1099328468.db2.gz PZJXLOLQQPJUDK-GFCCVEGCSA-N -1 0 354.866 4.249 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2csc3ccccc23)n1 ZINC000516350076 1099400863 /nfs/dbraw/zinc/40/08/63/1099400863.db2.gz DHCKDVRIDHTGFS-LLVKDONJSA-N -1 0 356.428 4.025 20 30 FIEDRM N#C[C@@H](c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccco2)cc1Cl ZINC000437680287 1100105197 /nfs/dbraw/zinc/10/51/97/1100105197.db2.gz SENOMQFRQITOIU-INIZCTEOSA-N -1 0 372.833 4.389 20 30 FIEDRM CC[C@@H](C)Sc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)c(C)c1 ZINC000517613160 1100544896 /nfs/dbraw/zinc/54/48/96/1100544896.db2.gz IWVXDHMBXTZMJW-GFCCVEGCSA-N -1 0 350.465 4.151 20 30 FIEDRM Cc1ccc(-c2nc(C)c(C([O-])=C(C#N)c3nc4ccccc4[nH]3)s2)o1 ZINC000048813672 1102435194 /nfs/dbraw/zinc/43/51/94/1102435194.db2.gz XPZUNNSPOODLRM-LBPRGKRZSA-N -1 0 362.414 4.386 20 30 FIEDRM O=S(=O)([N-]c1ccc(F)c(C(F)(F)F)c1)c1c(F)cc(F)cc1F ZINC000520768893 1102530642 /nfs/dbraw/zinc/53/06/42/1102530642.db2.gz RVQJYPYOCAYQOL-UHFFFAOYSA-N -1 0 373.249 4.063 20 30 FIEDRM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(OCC)nc1 ZINC000473776024 1102732110 /nfs/dbraw/zinc/73/21/10/1102732110.db2.gz ZWXKHEMPZBEOLE-UHFFFAOYSA-N -1 0 360.479 4.133 20 30 FIEDRM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000473777005 1102736008 /nfs/dbraw/zinc/73/60/08/1102736008.db2.gz PPBLGOJJWZWBSG-UHFFFAOYSA-N -1 0 350.871 4.388 20 30 FIEDRM CC(C)c1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)nn1C(C)(C)C ZINC000123055429 1102774680 /nfs/dbraw/zinc/77/46/80/1102774680.db2.gz GPLTYROEQHFXMD-CQSZACIVSA-N -1 0 363.465 4.138 20 30 FIEDRM Cc1c2cc(Br)cc(C)c2oc1C([O-])=C(C#N)c1ccncn1 ZINC000426914191 1103087523 /nfs/dbraw/zinc/08/75/23/1103087523.db2.gz NRQUNWANYAQULR-CYBMUJFWSA-N -1 0 370.206 4.092 20 30 FIEDRM N#CC(=C([O-])c1cc(Cc2ccccc2)[nH]n1)c1nc2ccccc2s1 ZINC000551508912 1103295899 /nfs/dbraw/zinc/29/58/99/1103295899.db2.gz MWJWRULQJUQQIL-HNNXBMFYSA-N -1 0 358.426 4.100 20 30 FIEDRM COc1ncc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cc1Cl ZINC000551506359 1103304126 /nfs/dbraw/zinc/30/41/26/1103304126.db2.gz HYOGSVJCTSEELF-CYBMUJFWSA-N -1 0 369.833 4.357 20 30 FIEDRM C[C@@H]1CCn2ncc(C([O-])=C(C#N)c3nc4cc(Cl)ccc4s3)c2C1 ZINC000519764870 1103836686 /nfs/dbraw/zinc/83/66/86/1103836686.db2.gz GJNPVFUOVNHJFU-PWSUYJOCSA-N -1 0 370.865 4.219 20 30 FIEDRM C[C@H]1CCn2ncc(C([O-])=C(C#N)c3nc4cc(Cl)ccc4s3)c2C1 ZINC000519764831 1103836746 /nfs/dbraw/zinc/83/67/46/1103836746.db2.gz GJNPVFUOVNHJFU-JQWIXIFHSA-N -1 0 370.865 4.219 20 30 FIEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)cc1Cl ZINC000461110210 1104087679 /nfs/dbraw/zinc/08/76/79/1104087679.db2.gz HGHOIGGMAYVZMR-UHFFFAOYSA-N -1 0 366.773 4.093 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)nn1C(F)F ZINC000536443402 1105024186 /nfs/dbraw/zinc/02/41/86/1105024186.db2.gz IMBZVMOWKBPDHV-VIFPVBQESA-N -1 0 366.780 4.340 20 30 FIEDRM C=CCC[C@@H](NC(=O)N=c1[n-]nc(C)s1)c1ccc(C(F)(F)F)cc1 ZINC000441615951 1105032171 /nfs/dbraw/zinc/03/21/71/1105032171.db2.gz WVHRCYCBQFGING-CYBMUJFWSA-N -1 0 370.400 4.116 20 30 FIEDRM CC(C)Oc1ccc([N-]S(=O)(=O)c2csc3ccccc32)cc1C#N ZINC000507916885 1105265680 /nfs/dbraw/zinc/26/56/80/1105265680.db2.gz FKLKIKHAIMHLHI-UHFFFAOYSA-N -1 0 372.471 4.361 20 30 FIEDRM Cc1csc(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)c1 ZINC000451014449 1106892412 /nfs/dbraw/zinc/89/24/12/1106892412.db2.gz LTJABMFFSJXSBF-LBPRGKRZSA-N -1 0 352.506 4.252 20 30 FIEDRM Cc1nc(CC2CC2)sc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1 ZINC000530553356 1107136101 /nfs/dbraw/zinc/13/61/01/1107136101.db2.gz ZCGPENSKRQAVOZ-ZDUSSCGKSA-N -1 0 350.447 4.079 20 30 FIEDRM CC[C@@H](C)n1ncc2c1nc(C)cc2C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000523958038 1108703519 /nfs/dbraw/zinc/70/35/19/1108703519.db2.gz OQEQZFWLEKHIMD-UKRRQHHQSA-N -1 0 373.416 4.342 20 30 FIEDRM Cc1cccc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)c1C#N ZINC000440835695 1108957787 /nfs/dbraw/zinc/95/77/87/1108957787.db2.gz UQLJCGGCTHXLQZ-UHFFFAOYSA-N -1 0 368.380 4.162 20 30 FIEDRM COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)[O-])cc1C#N ZINC000525623576 1109465846 /nfs/dbraw/zinc/46/58/46/1109465846.db2.gz MNHYFQOIFVLHRT-GXDHUFHOSA-N -1 0 356.381 4.300 20 30 FIEDRM C=C(C)COc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2OC)c1 ZINC000447281219 1109495273 /nfs/dbraw/zinc/49/52/73/1109495273.db2.gz ZYEPCFMLPXPPJP-UHFFFAOYSA-N -1 0 367.854 4.104 20 30 FIEDRM Cc1nc(-c2cccs2)sc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1 ZINC000127994811 1111120189 /nfs/dbraw/zinc/12/01/89/1111120189.db2.gz BZWMBQPRNNRROV-CYBMUJFWSA-N -1 0 367.455 4.141 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)nn1C1CCCCC1 ZINC000538483809 1111163868 /nfs/dbraw/zinc/16/38/68/1111163868.db2.gz DGHFVHWAPBFAPC-MRXNPFEDSA-N -1 0 361.449 4.074 20 30 FIEDRM COc1ccc2nc(C)cc(C([O-])=C(C#N)c3nc4ccccc4o3)c2c1 ZINC000538773898 1111286341 /nfs/dbraw/zinc/28/63/41/1111286341.db2.gz KVSAVSHQBJRJQF-INIZCTEOSA-N -1 0 357.369 4.183 20 30 FIEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1-c1nc2ccccc2s1 ZINC000462080883 1111491146 /nfs/dbraw/zinc/49/11/46/1111491146.db2.gz XPTZFMNULIUPJI-LBPRGKRZSA-N -1 0 357.460 4.007 20 30 FIEDRM Cc1cc(C(C#N)=C([O-])c2ccc(-c3ccccc3Cl)o2)nc(C)n1 ZINC000041573874 1111704966 /nfs/dbraw/zinc/70/49/66/1111704966.db2.gz RDNGLNCBAGMOAB-AWEZNQCLSA-N -1 0 351.793 4.497 20 30 FIEDRM Cc1cc(C(C#N)=C([O-])c2cc3c(s2)-c2ccccc2OC3)nc(C)n1 ZINC000041574855 1111723031 /nfs/dbraw/zinc/72/30/31/1111723031.db2.gz ICHJPNQFYJJVNA-OAHLLOKOSA-N -1 0 361.426 4.204 20 30 FIEDRM CCN(c1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cn1)C(C)C ZINC000478632301 1111838182 /nfs/dbraw/zinc/83/81/82/1111838182.db2.gz QGBUYXQNJTUWFS-OAHLLOKOSA-N -1 0 356.495 4.386 20 30 FIEDRM CC[C@@H](C)n1nc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cc1C ZINC000480940047 1112688343 /nfs/dbraw/zinc/68/83/43/1112688343.db2.gz JJIPVOXLELARMJ-YPMHNXCESA-N -1 0 371.391 4.397 20 30 FIEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1cc(Cl)sc1Cl ZINC000042242109 1112906198 /nfs/dbraw/zinc/90/61/98/1112906198.db2.gz FXLUAWFBFMIBNP-UHFFFAOYSA-N -1 0 350.248 4.057 20 30 FIEDRM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2SCCC#N)c1 ZINC000160008577 1113279511 /nfs/dbraw/zinc/27/95/11/1113279511.db2.gz GWDOFXOVKNPGHP-UHFFFAOYSA-N -1 0 374.487 4.086 20 30 FIEDRM CCc1ncsc1C([O-])=C(C#N)c1nc(-c2ccc(OC)cc2)cs1 ZINC000160575877 1113410924 /nfs/dbraw/zinc/41/09/24/1113410924.db2.gz CHOXVUOHYYUSRI-ZDUSSCGKSA-N -1 0 369.471 4.328 20 30 FIEDRM CC(C)c1noc2ncc(C([O-])=C(C#N)c3nccc4ccccc43)cc21 ZINC000483193399 1113463957 /nfs/dbraw/zinc/46/39/57/1113463957.db2.gz ICUFGZIOFMXEQR-QGZVFWFLSA-N -1 0 356.385 4.384 20 30 FIEDRM N#CC(=C([O-])c1cnc(Oc2ccccc2)cn1)c1nccc2ccccc21 ZINC000483232200 1113472782 /nfs/dbraw/zinc/47/27/82/1113472782.db2.gz GOPKLEIVGRCTDS-SFHVURJKSA-N -1 0 366.380 4.307 20 30 FIEDRM C=CCOc1ccccc1/C=C\c1nc(C(=O)[O-])c(Br)s1 ZINC000486011417 1113485813 /nfs/dbraw/zinc/48/58/13/1113485813.db2.gz YRERMFSOXWOGFA-FPLPWBNLSA-N -1 0 366.236 4.339 20 30 FIEDRM N#Cc1cccnc1/C=C\c1cccc(OCc2ccccc2C(=O)[O-])c1 ZINC000486100759 1113502088 /nfs/dbraw/zinc/50/20/88/1113502088.db2.gz CSQMNAINXRABNX-KHPPLWFESA-N -1 0 356.381 4.401 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)c(C#N)c2)o1 ZINC000488333039 1113910462 /nfs/dbraw/zinc/91/04/62/1113910462.db2.gz CIEHSWGVMNUADG-UHFFFAOYSA-N -1 0 354.387 4.053 20 30 FIEDRM C=C[C@@H]1CCCCN1C(=O)N=c1[n-]nc([C@H](CC)c2ccccc2)s1 ZINC000488336288 1113910842 /nfs/dbraw/zinc/91/08/42/1113910842.db2.gz UJRUCIRCMWUNQF-HZPDHXFCSA-N -1 0 356.495 4.074 20 30 FIEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000488418327 1113923818 /nfs/dbraw/zinc/92/38/18/1113923818.db2.gz NGJBHVLKOZVTRM-UHFFFAOYSA-N -1 0 360.744 4.031 20 30 FIEDRM N#Cc1cc(O)cc(C(=O)N[C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000587110514 1114414032 /nfs/dbraw/zinc/41/40/32/1114414032.db2.gz GWOLSZJKXUYSOX-QZTJIDSGSA-N -1 0 374.362 4.349 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2c(F)cncc2Br)n1 ZINC000633922424 1114421722 /nfs/dbraw/zinc/42/17/22/1114421722.db2.gz BKUBZIOYBABGLE-MRVPVSSYSA-N -1 0 368.231 4.053 20 30 FIEDRM N#Cc1ccccc1-c1ccccc1C(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000058077660 1115100113 /nfs/dbraw/zinc/10/01/13/1115100113.db2.gz MQPRPQKCHKUMOE-UHFFFAOYSA-N -1 0 368.458 4.192 20 30 FIEDRM CC(C)Oc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)ccc1[N+](=O)[O-] ZINC000592401996 1115224042 /nfs/dbraw/zinc/22/40/42/1115224042.db2.gz KGWFIFPWOCCOKO-ZDUSSCGKSA-N -1 0 371.418 4.206 20 30 FIEDRM COc1ccc(CCC(=O)[O-])cc1NCc1ccc(C(C)(C)C#N)cc1 ZINC000593947727 1115362485 /nfs/dbraw/zinc/36/24/85/1115362485.db2.gz MJFVTDWEWZWIDE-UHFFFAOYSA-N -1 0 352.434 4.126 20 30 FIEDRM O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 ZINC000059270334 1115481841 /nfs/dbraw/zinc/48/18/41/1115481841.db2.gz LMWWNLAZVMBLBI-LREOWRDNSA-N -1 0 353.252 4.095 20 30 FIEDRM N#Cc1c2c(sc1[N-]C(=O)c1ocnc1C(F)F)CCCCCC2 ZINC000602244644 1115691358 /nfs/dbraw/zinc/69/13/58/1115691358.db2.gz HRXAQBVCUUJBFP-UHFFFAOYSA-N -1 0 351.378 4.457 20 30 FIEDRM C[C@@H]1C[C@H](C)Cc2c(C#N)c([N-]C(=O)c3ocnc3C(F)F)sc21 ZINC000602342934 1115699475 /nfs/dbraw/zinc/69/94/75/1115699475.db2.gz NIUKIMYZVVXSLB-JGVFFNPUSA-N -1 0 351.378 4.483 20 30 FIEDRM CCCC[C@@H](CC)CCCN(C)C(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000598559694 1115735768 /nfs/dbraw/zinc/73/57/68/1115735768.db2.gz YHHKWLIULSDJKB-CQSZACIVSA-N -1 0 363.527 4.449 20 30 FIEDRM N#Cc1cccc(Oc2ccc(NC(=O)c3cc(Cl)ccc3[O-])cn2)c1 ZINC000603622159 1115799860 /nfs/dbraw/zinc/79/98/60/1115799860.db2.gz MQMGOKYGZMKVNB-UHFFFAOYSA-N -1 0 365.776 4.357 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2cnc(-c3cccnc3)s2)n1 ZINC000534173743 1116166558 /nfs/dbraw/zinc/16/65/58/1116166558.db2.gz ULZCRLIHTPLNFE-LBPRGKRZSA-N -1 0 354.460 4.275 20 30 FIEDRM O=C([O-])CCOc1ccc(/C=C\C(=O)c2ccc(OC(F)F)cc2)cc1 ZINC000213080513 1116318566 /nfs/dbraw/zinc/31/85/66/1116318566.db2.gz AMYOLGZJYKKKGW-KMKOMSMNSA-N -1 0 362.328 4.038 20 30 FIEDRM CC[C@H](C)Oc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)ccn1 ZINC000539645193 1116357091 /nfs/dbraw/zinc/35/70/91/1116357091.db2.gz KQHCBFGERYUTOO-GXTWGEPZSA-N -1 0 351.431 4.359 20 30 FIEDRM N#CC(=C([O-])c1cc(Cl)cc2c1OCC2)c1nc2ccccc2s1 ZINC000463065000 1117948930 /nfs/dbraw/zinc/94/89/30/1117948930.db2.gz SJYHZRPIGAUGFN-CYBMUJFWSA-N -1 0 354.818 4.375 20 30 FIEDRM COc1nc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cc2ccccc21 ZINC000464411911 1118547270 /nfs/dbraw/zinc/54/72/70/1118547270.db2.gz OUPNJYONNCGTRC-AWEZNQCLSA-N -1 0 371.318 4.147 20 30 FIEDRM Cc1ccc(-c2ccc(C([O-])=C(C#N)c3nc4[nH]ccc(C)c-4n3)s2)o1 ZINC000541950340 1118718660 /nfs/dbraw/zinc/71/86/60/1118718660.db2.gz FMQCSNPBAGWSJA-GFCCVEGCSA-N -1 0 362.414 4.386 20 30 FIEDRM O=C([O-])C(=O)/C(=C/c1ccc(Cl)nc1Cl)c1ccc2ccccc2n1 ZINC000761477876 1119158336 /nfs/dbraw/zinc/15/83/36/1119158336.db2.gz ZYSNYTBYIHIWCN-FMIVXFBMSA-N -1 0 373.195 4.131 20 30 FIEDRM COc1csc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000177611484 1119339310 /nfs/dbraw/zinc/33/93/10/1119339310.db2.gz MVLJQEINRRBRGA-CQSZACIVSA-N -1 0 365.439 4.242 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc(C(C)C)cs2)cnn1-c1ccccc1F ZINC000177771967 1119350301 /nfs/dbraw/zinc/35/03/01/1119350301.db2.gz WJTFXRVOHIRZJV-ZDUSSCGKSA-N -1 0 368.437 4.390 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccnc(OCC(F)(F)F)c2)n1 ZINC000177765168 1119350521 /nfs/dbraw/zinc/35/05/21/1119350521.db2.gz JBGPBRPBAJCTJQ-NSHDSACASA-N -1 0 369.368 4.093 20 30 FIEDRM COc1nc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc2ccccc21 ZINC000177779911 1119351248 /nfs/dbraw/zinc/35/12/48/1119351248.db2.gz ADDMHSNRMSFMHF-CQSZACIVSA-N -1 0 351.431 4.313 20 30 FIEDRM CN(C)c1nc2sc(C([O-])=C(C#N)c3nc4ccccc4o3)cc2s1 ZINC000182873590 1119561791 /nfs/dbraw/zinc/56/17/91/1119561791.db2.gz IYNUJMGMXZOKOC-SECBINFHSA-N -1 0 368.443 4.055 20 30 FIEDRM CCCCn1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c(C)n1 ZINC000187483738 1119785955 /nfs/dbraw/zinc/78/59/55/1119785955.db2.gz HFTLSZALARKBAV-CYBMUJFWSA-N -1 0 371.391 4.227 20 30 FIEDRM Cc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000187522764 1119787604 /nfs/dbraw/zinc/78/76/04/1119787604.db2.gz HUBMPZDHWJATLS-HNNXBMFYSA-N -1 0 350.447 4.251 20 30 FIEDRM Cn1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c2ccccc21 ZINC000194181295 1120247303 /nfs/dbraw/zinc/24/73/03/1120247303.db2.gz MSZNKPFUOWVSQP-OAHLLOKOSA-N -1 0 358.426 4.187 20 30 FIEDRM COc1cc(Br)ccc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000194583387 1120284424 /nfs/dbraw/zinc/28/44/24/1120284424.db2.gz YNUUFRUYMIWNFZ-LBPRGKRZSA-N -1 0 371.190 4.089 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cnc(C)s3)n2)cc1 ZINC000194682078 1120293176 /nfs/dbraw/zinc/29/31/76/1120293176.db2.gz VKTMWZXINCVUCJ-CYBMUJFWSA-N -1 0 355.444 4.074 20 30 FIEDRM N#CC(=C([O-])c1coc(C2CC2)n1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000670116477 1120351669 /nfs/dbraw/zinc/35/16/69/1120351669.db2.gz YBFRZHPVNSXIDG-AWEZNQCLSA-N -1 0 360.398 4.037 20 30 FIEDRM O=C1Nc2c(c(Cl)ccc2F)C1=N[N-]c1nc(-c2ccccc2)cs1 ZINC000914555049 1120368794 /nfs/dbraw/zinc/36/87/94/1120368794.db2.gz HRMAFFNPODSYHK-UHFFFAOYSA-N -1 0 372.812 4.371 20 30 FIEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1cccc([C@H]2CCOC2)c1 ZINC000762019266 1120654273 /nfs/dbraw/zinc/65/42/73/1120654273.db2.gz RTNZCUXYFNOTFF-PKOBYXMFSA-N -1 0 372.424 4.186 20 30 FIEDRM CCCCOc1cc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)ccc1OC ZINC000915106427 1120815033 /nfs/dbraw/zinc/81/50/33/1120815033.db2.gz RZTQSNUYFLUFCU-YRNVUSSQSA-N -1 0 368.429 4.397 20 30 FIEDRM Cc1cc(C)c2c(c1)C(=O)/C(=C\c1cccc(O[C@@H](C)C(=O)[O-])c1)CCO2 ZINC000763115627 1121134545 /nfs/dbraw/zinc/13/45/45/1121134545.db2.gz ASUYCQPSRJEDBA-ZCQLHAAUSA-N -1 0 366.413 4.204 20 30 FIEDRM COc1ccc([C@@H](C)/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1OC ZINC000915982734 1121363222 /nfs/dbraw/zinc/36/32/22/1121363222.db2.gz AFMNHLNDVBMJTP-DWOMLUCJSA-N -1 0 364.785 4.151 20 30 FIEDRM O=C([O-])CCOc1ccc(/C=C2\CSc3c(F)cccc3C2=O)cc1 ZINC000915987866 1121367224 /nfs/dbraw/zinc/36/72/24/1121367224.db2.gz LSWYEOMDLQYSAK-JLHYYAGUSA-N -1 0 358.390 4.051 20 30 FIEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccncc3)cc2)cc1 ZINC000915988218 1121367713 /nfs/dbraw/zinc/36/77/13/1121367713.db2.gz SMDDENATKDMYBF-BJMVGYQFSA-N -1 0 373.408 4.184 20 30 FIEDRM O=C([O-])Cc1ccc(C(=O)/C=C\c2ccccc2OCc2cccnc2)cc1 ZINC000915988181 1121367938 /nfs/dbraw/zinc/36/79/38/1121367938.db2.gz RIFGAUDWWXKVSW-QXMHVHEDSA-N -1 0 373.408 4.184 20 30 FIEDRM O=C(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000916128947 1121418961 /nfs/dbraw/zinc/41/89/61/1121418961.db2.gz LSSZPMFDIKRXON-XBXARRHUSA-N -1 0 370.380 4.326 20 30 FIEDRM CCCOc1ccc(/C=C(\C(=O)C(=O)[O-])c2ccc3ccccc3n2)cc1 ZINC000916138697 1121425429 /nfs/dbraw/zinc/42/54/29/1121425429.db2.gz WZLVEVOXXIDASL-JXAWBTAJSA-N -1 0 361.397 4.218 20 30 FIEDRM COc1cc(/C=C\C(=O)c2cccc3ccccc32)ccc1OCC(=O)[O-] ZINC000916134843 1121428424 /nfs/dbraw/zinc/42/84/24/1121428424.db2.gz LEPTVSSCIBENPC-LUAWRHEFSA-N -1 0 362.381 4.208 20 30 FIEDRM CCCCOc1ccc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)cc1 ZINC000916156629 1121430669 /nfs/dbraw/zinc/43/06/69/1121430669.db2.gz GPHBCDAUZWSHMT-XFXZXTDPSA-N -1 0 354.402 4.225 20 30 FIEDRM COc1ccccc1-c1ccc(C(C)N=Nc2ccc(C(=O)[O-])cn2)cc1 ZINC000763368942 1121481892 /nfs/dbraw/zinc/48/18/92/1121481892.db2.gz QUKJXCFCKAWGBZ-UHFFFAOYSA-N -1 0 361.401 4.292 20 30 FIEDRM O=C([O-])COc1ccc(C=NN(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000916367736 1121482510 /nfs/dbraw/zinc/48/25/10/1121482510.db2.gz MWMWWJSKJIAHRA-UHFFFAOYSA-N -1 0 374.440 4.186 20 30 FIEDRM COc1cc(/C=C\C(=O)c2ccc(SC)cc2)ccc1OCCC(=O)[O-] ZINC000763374988 1121514953 /nfs/dbraw/zinc/51/49/53/1121514953.db2.gz XFEHHQMPOGJLLY-OQFOIZHKSA-N -1 0 372.442 4.167 20 30 FIEDRM CCCCCCCCCC(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000916652886 1121596641 /nfs/dbraw/zinc/59/66/41/1121596641.db2.gz ZSFWDPLISUETPL-UHFFFAOYSA-N -1 0 351.921 4.347 20 30 FIEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1sc2cccc(Cl)c2c1Cl ZINC000916870455 1121903640 /nfs/dbraw/zinc/90/36/40/1121903640.db2.gz ANUKHZDKLUKMQA-SECBINFHSA-N -1 0 367.257 4.153 20 30 FIEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc(C)n(-c2cccc(C)c2)c1C ZINC000916874375 1121905369 /nfs/dbraw/zinc/90/53/69/1121905369.db2.gz CFSGKSIFIMRPMQ-HXUWFJFHSA-N -1 0 365.477 4.031 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1sc2cccc(F)c2c1C ZINC000916876325 1121906618 /nfs/dbraw/zinc/90/66/18/1121906618.db2.gz YZFLUSOQENSWGB-ZDUSSCGKSA-N -1 0 360.454 4.368 20 30 FIEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(Oc2ccccc2)cc1 ZINC000916893153 1121911221 /nfs/dbraw/zinc/91/12/21/1121911221.db2.gz UBHNJZSZAHFLDL-FQEVSTJZSA-N -1 0 362.429 4.250 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(Oc2ccccc2)cc1 ZINC000916873068 1121912442 /nfs/dbraw/zinc/91/24/42/1121912442.db2.gz MZHVQIUWVZEQSP-FQEVSTJZSA-N -1 0 364.445 4.498 20 30 FIEDRM Cc1cc(-n2c(C)cc(C=NNc3ccc(Cl)c(C(=O)[O-])c3)c2C)no1 ZINC000917030123 1122016186 /nfs/dbraw/zinc/01/61/86/1122016186.db2.gz FSIACBYETYWUHU-UHFFFAOYSA-N -1 0 372.812 4.188 20 30 FIEDRM N#CC(=C([O-])c1ccnc(OCc2ccccc2)c1)c1nc2ccccc2o1 ZINC000066516467 1122069691 /nfs/dbraw/zinc/06/96/91/1122069691.db2.gz JOBBBYOFTUFPBW-KRWDZBQOSA-N -1 0 369.380 4.292 20 30 FIEDRM N#CC(=C([O-])c1ccc(C#N)cc1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000066544951 1122072312 /nfs/dbraw/zinc/07/23/12/1122072312.db2.gz KCSLSJQRDNXVHJ-KRWDZBQOSA-N -1 0 354.394 4.044 20 30 FIEDRM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000066814198 1122098793 /nfs/dbraw/zinc/09/87/93/1122098793.db2.gz WAEBEBUOCZMRNP-LBPRGKRZSA-N -1 0 350.440 4.021 20 30 FIEDRM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000066814219 1122098968 /nfs/dbraw/zinc/09/89/68/1122098968.db2.gz KKXMIWIZFAHBMC-LLVKDONJSA-N -1 0 368.430 4.160 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C)n1Cc1ccccn1 ZINC000054735376 1122195334 /nfs/dbraw/zinc/19/53/34/1122195334.db2.gz UVUVFUVJWPNGFA-SFHVURJKSA-N -1 0 370.412 4.180 20 30 FIEDRM COc1ccc(Cl)cc1/C=C/C(=O)c1ccc(OCCCC(=O)[O-])cc1 ZINC000917145864 1122203812 /nfs/dbraw/zinc/20/38/12/1122203812.db2.gz UVVCPRNJTSRRJV-UXBLZVDNSA-N -1 0 374.820 4.488 20 30 FIEDRM CCc1ccc2c(c1)C(=NNc1ncc(C(F)(F)F)cc1Cl)C(=O)N2 ZINC000917208613 1122224237 /nfs/dbraw/zinc/22/42/37/1122224237.db2.gz RIBAMRCMKGBGIO-UHFFFAOYSA-N -1 0 368.746 4.085 20 30 FIEDRM COc1ccc(C(=O)/C=C/c2cccc(C(=O)[O-])c2)cc1Br ZINC000765823720 1122246077 /nfs/dbraw/zinc/24/60/77/1122246077.db2.gz HNRSBMOZSMHXBF-FNORWQNLSA-N -1 0 361.191 4.052 20 30 FIEDRM O=C([O-])c1csc(/C=C/C(=O)c2ccc(F)c(Br)c2)c1 ZINC000765827998 1122260991 /nfs/dbraw/zinc/26/09/91/1122260991.db2.gz ZRUDGERCSCXPTQ-DUXPYHPUSA-N -1 0 355.184 4.244 20 30 FIEDRM c1nc2nc[n-]c(NN=C(CCCc3ccccc3)c3ccccc3)c-2n1 ZINC000917555822 1122359934 /nfs/dbraw/zinc/35/99/34/1122359934.db2.gz YKIQIHMMCYYGDY-UHFFFAOYSA-N -1 0 356.433 4.192 20 30 FIEDRM COc1cccc(CC/N=C/c2cc(Cl)cc(Cl)c2[O-])c1OC ZINC000917556653 1122360095 /nfs/dbraw/zinc/36/00/95/1122360095.db2.gz HJFGEQKKJSPCBD-KEBDBYFISA-N -1 0 354.233 4.378 20 30 FIEDRM C#Cc1cccc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1 ZINC000917732661 1122420352 /nfs/dbraw/zinc/42/03/52/1122420352.db2.gz VQNLDORTXLZLBO-UHFFFAOYSA-N -1 0 360.649 4.429 20 30 FIEDRM CCc1nc(C([O-])=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)c(C)o1 ZINC000556895115 1123172042 /nfs/dbraw/zinc/17/20/42/1123172042.db2.gz JVSGSLUFIPYEIW-CQSZACIVSA-N -1 0 367.430 4.168 20 30 FIEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1ccc(Br)cc1)CC2 ZINC000920065945 1123326142 /nfs/dbraw/zinc/32/61/42/1123326142.db2.gz OAIALTUIWKNOFX-FLIBITNWSA-N -1 0 361.191 4.261 20 30 FIEDRM N#CC(C(=O)NC1CCCC1)=C([O-])c1ccc(OCC2CCCCC2)cc1 ZINC000920113961 1123361731 /nfs/dbraw/zinc/36/17/31/1123361731.db2.gz VUYRHPPOCLUPHW-FQEVSTJZSA-N -1 0 368.477 4.027 20 30 FIEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/[C@@H]2CCc3cc(Br)ccc32)c1 ZINC000920173999 1123403476 /nfs/dbraw/zinc/40/34/76/1123403476.db2.gz IOXLRHLEDKTSFS-QANDDYDISA-N -1 0 361.195 4.169 20 30 FIEDRM [O-]c1c(Cl)cc(Cl)cc1/C=N/CCN1CCc2sccc2C1 ZINC000920175657 1123404024 /nfs/dbraw/zinc/40/40/24/1123404024.db2.gz ZLHPJFUOKGLDLB-DJKKODMXSA-N -1 0 355.290 4.238 20 30 FIEDRM O=[N+]([O-])c1cc(Cl)cc(C=Nc2ccc(Cl)c([N+](=O)[O-])c2)c1[O-] ZINC000920942983 1123539670 /nfs/dbraw/zinc/53/96/70/1123539670.db2.gz JDQZBLFHVYECLH-UHFFFAOYSA-N -1 0 356.121 4.266 20 30 FIEDRM N#CC(=C([O-])c1cc(Cl)cc([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000609959468 1123897184 /nfs/dbraw/zinc/89/71/84/1123897184.db2.gz YOGAVLQQPILDDB-LBPRGKRZSA-N -1 0 357.778 4.348 20 30 FIEDRM CSc1ccc([N+](=O)[O-])c(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1 ZINC000080456638 1123966204 /nfs/dbraw/zinc/96/62/04/1123966204.db2.gz FQRXZDYRKOKMKU-GFCCVEGCSA-N -1 0 361.448 4.387 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)nn1-c1cc(C)cc(C)c1 ZINC000179830459 1124112301 /nfs/dbraw/zinc/11/23/01/1124112301.db2.gz JIBGNRXBDFTZLK-QGZVFWFLSA-N -1 0 369.428 4.164 20 30 FIEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000068338239 1124197025 /nfs/dbraw/zinc/19/70/25/1124197025.db2.gz FLROEWSZSSQBGN-STQMWFEESA-N -1 0 371.792 4.067 20 30 FIEDRM C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000108251723 1124269753 /nfs/dbraw/zinc/26/97/53/1124269753.db2.gz IDQQSXOWIKGRFF-LLVKDONJSA-N -1 0 368.430 4.017 20 30 FIEDRM COc1ccccc1-c1cccc([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC000110590739 1124760715 /nfs/dbraw/zinc/76/07/15/1124760715.db2.gz UQFMHGNKPPKTKJ-UHFFFAOYSA-N -1 0 364.426 4.035 20 30 FIEDRM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000007405736 1124900689 /nfs/dbraw/zinc/90/06/89/1124900689.db2.gz NQXCOPPILMEXGE-UHFFFAOYSA-N -1 0 360.744 4.031 20 30 FIEDRM CC(C)CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000070036222 1125245598 /nfs/dbraw/zinc/24/55/98/1125245598.db2.gz DLUAMUADYNIEJP-GHMZBOCLSA-N -1 0 350.267 4.039 20 30 FIEDRM N#Cc1ccc2c(c1)CC[C@@H]2N=c1[n-]nc(Cc2ccc(Cl)cc2)s1 ZINC000618694070 1125247724 /nfs/dbraw/zinc/24/77/24/1125247724.db2.gz XIWFOVWGHHXLAM-KRWDZBQOSA-N -1 0 366.877 4.175 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cc([N+](=O)[O-])c1 ZINC000146984442 1125287383 /nfs/dbraw/zinc/28/73/83/1125287383.db2.gz LMFHAXUUYPQOKK-CYBMUJFWSA-N -1 0 370.315 4.138 20 30 FIEDRM CCOc1ncccc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000093244954 1125287804 /nfs/dbraw/zinc/28/78/04/1125287804.db2.gz JUDSZVASKYWWJQ-GFCCVEGCSA-N -1 0 357.822 4.233 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2NC2CCCCC2)s1 ZINC000568071241 567835494 /nfs/dbraw/zinc/83/54/94/567835494.db2.gz MDUGIILWMALDOB-UHFFFAOYSA-N -1 0 361.492 4.165 20 30 FIEDRM Cc1ccccc1-n1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)cn1 ZINC000601931486 567879234 /nfs/dbraw/zinc/87/92/34/567879234.db2.gz UBKGCPKZMAXUSA-SFHVURJKSA-N -1 0 352.397 4.219 20 30 FIEDRM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000066814194 568070970 /nfs/dbraw/zinc/07/09/70/568070970.db2.gz RGJJREIMVMUWIN-NSHDSACASA-N -1 0 368.430 4.160 20 30 FIEDRM N#CC(=C([O-])c1cnc(C2CC2)s1)c1nc(-c2ccncc2)cs1 ZINC000604005406 568195841 /nfs/dbraw/zinc/19/58/41/568195841.db2.gz CHEIPHZIDZAMNL-LBPRGKRZSA-N -1 0 352.444 4.029 20 30 FIEDRM C=C[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1)c1ccccc1 ZINC000431878300 939166960 /nfs/dbraw/zinc/16/69/60/939166960.db2.gz AIMSSCMAPIJMFM-KSFYIVLOSA-N -1 0 359.425 4.442 20 30 FIEDRM CC(C)(C)OC(=O)N[C@](C)(C(=O)[O-])c1ccc(-c2ccsc2C#N)cc1 ZINC000863974110 939246244 /nfs/dbraw/zinc/24/62/44/939246244.db2.gz WEVULQYZPUCKEL-IBGZPJMESA-N -1 0 372.446 4.111 20 30 FIEDRM COc1cc2c(cc1[N-]S(=O)(=O)CCC(C)(C)C#N)oc1ccccc12 ZINC000619866669 1125719449 /nfs/dbraw/zinc/71/94/49/1125719449.db2.gz PXZRMAKKBGWILD-UHFFFAOYSA-N -1 0 372.446 4.276 20 30 FIEDRM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccccc1F ZINC000108985405 1079885778 /nfs/dbraw/zinc/88/57/78/1079885778.db2.gz UNKGGUUZECIQFT-LBPRGKRZSA-N -1 0 350.440 4.021 20 30 FIEDRM Cc1ccsc1S(=O)(=O)[N-]c1ccccc1S[C@H](C)CC#N ZINC000610194306 1079902318 /nfs/dbraw/zinc/90/23/18/1079902318.db2.gz RJAKPTURRHKOQB-GFCCVEGCSA-N -1 0 352.506 4.252 20 30 FIEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(-c3ccccc3Cl)s2)C(=O)O1 ZINC000255029097 1080427000 /nfs/dbraw/zinc/42/70/00/1080427000.db2.gz IDXNCPSHIMUNMW-POZKEBTKSA-N -1 0 372.829 4.297 20 30 FIEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC(c2cccc3ccccc32)CC1 ZINC001625845445 1080627040 /nfs/dbraw/zinc/62/70/40/1080627040.db2.gz OFBAOUCASTXXPJ-UHFFFAOYSA-N -1 0 371.440 4.140 20 30 FIEDRM O=C([O-])COc1cccc(C(=O)/C=C\c2cccc(-c3cccnc3)c2)c1 ZINC000255105936 1081185228 /nfs/dbraw/zinc/18/52/28/1081185228.db2.gz MMCNQYPLOCRJSB-KTKRTIGZSA-N -1 0 359.381 4.108 20 30 FIEDRM COc1ccccc1C(C)=CC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000255123736 1081295153 /nfs/dbraw/zinc/29/51/53/1081295153.db2.gz OWPXDDHLYXOCON-FFWXCITRSA-N -1 0 372.424 4.480 20 30 FIEDRM O=C(CCSc1ccc(F)cc1)[N-]S(=O)(=O)c1ccccc1Cl ZINC000048576642 1081382367 /nfs/dbraw/zinc/38/23/67/1081382367.db2.gz HKBDJHOPWOBPRG-UHFFFAOYSA-N -1 0 373.858 4.307 20 30 FIEDRM N#CC(=C([O-])c1cnc(-c2ccco2)s1)c1ccc(C(F)(F)F)cn1 ZINC000510309435 1081433080 /nfs/dbraw/zinc/43/30/80/1081433080.db2.gz GBRQFMIQOIRYDU-SNVBAGLBSA-N -1 0 363.320 4.307 20 30 FIEDRM N#Cc1ccc(OCc2cccc(C(=O)Nc3c(O)cccc3F)c2)cc1 ZINC000610339783 1081493143 /nfs/dbraw/zinc/49/31/43/1081493143.db2.gz ORPUHNPUWNLXDD-UHFFFAOYSA-N -1 0 362.360 4.234 20 30 FIEDRM N#Cc1cccc(OCc2cccc(C(=O)Nc3c(O)cccc3F)c2)c1 ZINC000610339776 1081493761 /nfs/dbraw/zinc/49/37/61/1081493761.db2.gz OIYLELFEZKUWEW-UHFFFAOYSA-N -1 0 362.360 4.234 20 30 FIEDRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@@H](C)c3cccc(C#N)c3)n2)cc1 ZINC000610366638 1081551296 /nfs/dbraw/zinc/55/12/96/1081551296.db2.gz NWUJKCAJBYFRHZ-HNNXBMFYSA-N -1 0 374.444 4.064 20 30 FIEDRM CSc1ccc2c(c1)CC/C(=C\c1cccc(OCCC(=O)[O-])c1)C2=O ZINC000748145892 1081569224 /nfs/dbraw/zinc/56/92/24/1081569224.db2.gz CTQFBBYSWKFJQW-LFIBNONCSA-N -1 0 368.454 4.475 20 30 FIEDRM O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(F)c(Br)c1 ZINC000748145832 1081569605 /nfs/dbraw/zinc/56/96/05/1081569605.db2.gz AIBPIVWGSVOEFH-KXFIGUGUSA-N -1 0 366.142 4.098 20 30 FIEDRM CCOCc1nc(C)c(C([O-])=C(C#N)c2nccc3ccccc32)s1 ZINC000556484260 1081598304 /nfs/dbraw/zinc/59/83/04/1081598304.db2.gz SIUXGWYFRFOLFG-OAHLLOKOSA-N -1 0 351.431 4.026 20 30 FIEDRM Cc1csc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C#N ZINC000580241484 1081769653 /nfs/dbraw/zinc/76/96/53/1081769653.db2.gz QZJNAOKOZYSBQU-UHFFFAOYSA-N -1 0 355.297 4.108 20 30 FIEDRM COc1ccc(/C=C\C(=O)c2ccc([O-])c(F)c2)cc1OCCCC#N ZINC000255194477 1081843713 /nfs/dbraw/zinc/84/37/13/1081843713.db2.gz WRLPFTFXMKSGQZ-DAXSKMNVSA-N -1 0 355.365 4.119 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)cc1C ZINC000050204686 1081921604 /nfs/dbraw/zinc/92/16/04/1081921604.db2.gz WWWXQRVIZUELKZ-DLBZAZTESA-N -1 0 363.866 4.406 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cc(-c3ccc(F)cc3)[nH]n2)s1 ZINC000430584651 1082524401 /nfs/dbraw/zinc/52/44/01/1082524401.db2.gz PIRXYLSQSVZRGZ-ZDUSSCGKSA-N -1 0 368.437 4.460 20 30 FIEDRM CC(C)COc1ncccc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430611497 1082665309 /nfs/dbraw/zinc/66/53/09/1082665309.db2.gz ODYORDSXMPWNPK-AWEZNQCLSA-N -1 0 357.479 4.360 20 30 FIEDRM COc1nc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cc2ccccc21 ZINC000430612907 1082669200 /nfs/dbraw/zinc/66/92/00/1082669200.db2.gz UWCPBIRJVXEWPP-AWEZNQCLSA-N -1 0 365.458 4.487 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(Br)o2)s1 ZINC000430626890 1082748805 /nfs/dbraw/zinc/74/88/05/1082748805.db2.gz MNOQQGHMYOEMKO-QMMMGPOBSA-N -1 0 353.241 4.286 20 30 FIEDRM COc1cc(/C=C2\CCc3ccc(C)cc3C2=O)ccc1OCCC(=O)[O-] ZINC000588460377 1083327629 /nfs/dbraw/zinc/32/76/29/1083327629.db2.gz YJWGDFQDBJXYFB-SFQUDFHCSA-N -1 0 366.413 4.070 20 30 FIEDRM N#CC(=C([O-])c1sccc1Br)c1nc(C2CC2)cs1 ZINC000647375931 1083366355 /nfs/dbraw/zinc/36/63/55/1083366355.db2.gz JIRGOWNUPSIXRQ-MRVPVSSYSA-N -1 0 353.266 4.335 20 30 FIEDRM COc1cccc(-c2nc(/C=C\C(=O)c3ccc(O)cc3[O-])cs2)c1 ZINC000255675776 1083373972 /nfs/dbraw/zinc/37/39/72/1083373972.db2.gz GVLMIUPVEKOYDW-YVMONPNESA-N -1 0 353.399 4.126 20 30 FIEDRM Cc1nn(-c2cccc(F)c2)cc1C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000647380052 1083377482 /nfs/dbraw/zinc/37/74/82/1083377482.db2.gz FUOFFEAYANICKI-OAHLLOKOSA-N -1 0 366.421 4.144 20 30 FIEDRM C=C(C)COc1cc(C[NH2+][C@@H](CC(=O)[O-])c2ccsc2)ccc1OC ZINC000277055149 1083730082 /nfs/dbraw/zinc/73/00/82/1083730082.db2.gz STAFREPPCTVKLE-INIZCTEOSA-N -1 0 361.463 4.017 20 30 FIEDRM CC(F)(F)c1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000188560194 1083823548 /nfs/dbraw/zinc/82/35/48/1083823548.db2.gz YBKUSLQVMPOAHK-UHFFFAOYSA-N -1 0 356.781 4.124 20 30 FIEDRM CC(C)CCSCC(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000066004105 1083946395 /nfs/dbraw/zinc/94/63/95/1083946395.db2.gz YLLZYZNRVHCDLM-UHFFFAOYSA-N -1 0 369.430 4.130 20 30 FIEDRM N#C[C@H](NC(=O)c1cccc(Cl)c1[O-])c1ccc(Cl)c(Cl)c1 ZINC001267515993 1083976830 /nfs/dbraw/zinc/97/68/30/1083976830.db2.gz XSGRRLGCRXYOHG-ZDUSSCGKSA-N -1 0 355.608 4.347 20 30 FIEDRM CCN(Cc1ccccc1)C(=O)C/N=C\c1cc(Cl)cc(Cl)c1[O-] ZINC000255869747 1084012712 /nfs/dbraw/zinc/01/27/12/1084012712.db2.gz HEJFIPXALHIFCR-FBHDLOMBSA-N -1 0 365.260 4.167 20 30 FIEDRM CCOc1cc(/C=C\C(=O)c2ccc([O-])c(F)c2)cc(Cl)c1OC ZINC000728438172 1084143872 /nfs/dbraw/zinc/14/38/72/1084143872.db2.gz BLPLCUWXQRLFAY-XQRVVYSFSA-N -1 0 350.773 4.488 20 30 FIEDRM CC(C)Cn1ccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)n1 ZINC000892523133 1084369764 /nfs/dbraw/zinc/36/97/64/1084369764.db2.gz WUVCNEREIIHDGW-HNNXBMFYSA-N -1 0 350.447 4.153 20 30 FIEDRM CC(C)Cn1ccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)n1 ZINC000892523134 1084370884 /nfs/dbraw/zinc/37/08/84/1084370884.db2.gz WUVCNEREIIHDGW-OAHLLOKOSA-N -1 0 350.447 4.153 20 30 FIEDRM C=CC(C)(C)CNC(=O)C[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000414100108 1084551023 /nfs/dbraw/zinc/55/10/23/1084551023.db2.gz VGLTWWBOIZRIDF-QGZVFWFLSA-N -1 0 358.265 4.054 20 30 FIEDRM O=C([N-]S(=O)(=O)c1ccc2ccccc2c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000066503720 1084566001 /nfs/dbraw/zinc/56/60/01/1084566001.db2.gz IDCDTXUXIANNEQ-RBUKOAKNSA-N -1 0 351.427 4.289 20 30 FIEDRM COc1ccc(-c2ncc(C([O-])=C(C#N)c3nc(C)cs3)s2)cc1 ZINC000173898264 1084706949 /nfs/dbraw/zinc/70/69/49/1084706949.db2.gz VIRRHYJNEMASIW-ZDUSSCGKSA-N -1 0 355.444 4.074 20 30 FIEDRM C[S@](=O)c1ccc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cc1 ZINC000119988037 1084769092 /nfs/dbraw/zinc/76/90/92/1084769092.db2.gz PBQLOLCCZIZWFD-RKNYENMMSA-N -1 0 374.874 4.177 20 30 FIEDRM COc1cccc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)c1OC ZINC000120006457 1084791371 /nfs/dbraw/zinc/79/13/71/1084791371.db2.gz XPOMFURDBDQXKJ-LBPRGKRZSA-N -1 0 372.833 4.457 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)c(C)c1 ZINC000048476690 1085000205 /nfs/dbraw/zinc/00/02/05/1085000205.db2.gz YTZJAFPMZPINOH-CHWSQXEVSA-N -1 0 363.401 4.317 20 30 FIEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000048472371 1085000641 /nfs/dbraw/zinc/00/06/41/1085000641.db2.gz UQOOKWBCIOCQIT-STQMWFEESA-N -1 0 363.401 4.317 20 30 FIEDRM COc1cc(/C=C\C(=O)c2ccc(C(C)(C)C)cc2)ccc1OCC(=O)[O-] ZINC000211839455 1085646404 /nfs/dbraw/zinc/64/64/04/1085646404.db2.gz JFMDYRWVFSMNJG-WZUFQYTHSA-N -1 0 368.429 4.352 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3s2)oc2c1C(=O)CCC2 ZINC000048824581 1085706747 /nfs/dbraw/zinc/70/67/47/1085706747.db2.gz SGMYKGYQYCWVMG-NSHDSACASA-N -1 0 350.399 4.207 20 30 FIEDRM O=C(CCCOc1ccccc1Cl)[N-]S(=O)(=O)C1CCCCC1 ZINC000051901476 1085707522 /nfs/dbraw/zinc/70/75/22/1085707522.db2.gz LYDPWVMBLDSAOX-UHFFFAOYSA-N -1 0 359.875 4.118 20 30 FIEDRM Cn1cc(C([O-])=C(C#N)c2nc3ccccc3s2)c(-c2ccccc2)n1 ZINC000091437912 1085710248 /nfs/dbraw/zinc/71/02/48/1085710248.db2.gz XLMCMXKHUJEZQF-AWEZNQCLSA-N -1 0 358.426 4.187 20 30 FIEDRM COc1cc(/C=C\C(=O)c2csc(Cl)c2)ccc1OCCC(=O)[O-] ZINC000588558699 1085942271 /nfs/dbraw/zinc/94/22/71/1085942271.db2.gz BJUGXLJOOSGFEF-RQOWECAXSA-N -1 0 366.822 4.160 20 30 FIEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000179029510 1087108957 /nfs/dbraw/zinc/10/89/57/1087108957.db2.gz LQVKURCBIWIBLZ-UHFFFAOYSA-N -1 0 374.771 4.340 20 30 FIEDRM N#CC(=C([O-])C=Cc1ccc2ccccc2n1)c1cnc2ccccc2n1 ZINC000588587831 1087180934 /nfs/dbraw/zinc/18/09/34/1087180934.db2.gz SKFHMPUWVYNWQF-CPFIRTDXSA-N -1 0 350.381 4.068 20 30 FIEDRM CC(C)(C)c1[n-]n(Cc2cc(F)cc3cccnc32)c(=O)c1CCC#N ZINC000151835573 1087273206 /nfs/dbraw/zinc/27/32/06/1087273206.db2.gz CRDWDFPHLNSDOQ-UHFFFAOYSA-N -1 0 352.413 4.078 20 30 FIEDRM CC(C)(C)c1[n-]n(Cc2coc(-c3ccc(F)cc3)n2)c(=O)c1CCC#N ZINC000151846234 1087284001 /nfs/dbraw/zinc/28/40/01/1087284001.db2.gz YJHIXACBEZISTG-UHFFFAOYSA-N -1 0 368.412 4.185 20 30 FIEDRM CC1=CC(=O)C(=C([O-])C=Cc2c(Cl)cccc2SC(C)C)C(=O)O1 ZINC000588601224 1087375291 /nfs/dbraw/zinc/37/52/91/1087375291.db2.gz DOWUSHGCBMMSFL-QWPQOLDESA-N -1 0 364.850 4.069 20 30 FIEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1ccc(C2CC2)nc1C ZINC000892424963 1087784682 /nfs/dbraw/zinc/78/46/82/1087784682.db2.gz UJZXKUNUVXNMPH-KRWDZBQOSA-N -1 0 357.413 4.263 20 30 FIEDRM C=CCCc1ccccc1NC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000505023855 1088057926 /nfs/dbraw/zinc/05/79/26/1088057926.db2.gz PGGBIHLJLJEWDW-UHFFFAOYSA-N -1 0 368.462 4.179 20 30 FIEDRM COc1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c2ccccc2n1 ZINC000659115192 1088123805 /nfs/dbraw/zinc/12/38/05/1088123805.db2.gz QFSIZQJCKPUAJT-CQSZACIVSA-N -1 0 365.458 4.487 20 30 FIEDRM Cn1cc(Oc2ccccc2C([O-])=C(C#N)c2nc3ccccc3s2)cn1 ZINC000549086559 1088164830 /nfs/dbraw/zinc/16/48/30/1088164830.db2.gz UCSHGYSAJCBJED-OAHLLOKOSA-N -1 0 374.425 4.312 20 30 FIEDRM CCn1nc(C)cc1C([O-])=C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000587988833 1088326920 /nfs/dbraw/zinc/32/69/20/1088326920.db2.gz VSSWSFAYVSWJJS-OAHLLOKOSA-N -1 0 350.447 4.133 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cnc(-c3ccc(F)c(F)c3)s2)n1 ZINC000505293462 1088329262 /nfs/dbraw/zinc/32/92/62/1088329262.db2.gz JAAIPCRXCSESKN-SNVBAGLBSA-N -1 0 361.398 4.343 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2ccc(SCc3cccnc3)cc2)cc1[O-] ZINC000189978901 1088721183 /nfs/dbraw/zinc/72/11/83/1088721183.db2.gz SHAJZUHWKIDFMV-UHFFFAOYSA-N -1 0 361.426 4.203 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)c(Cl)c1 ZINC000435143817 1089342748 /nfs/dbraw/zinc/34/27/48/1089342748.db2.gz WCQCTXSGACQDTD-UHFFFAOYSA-N -1 0 364.854 4.108 20 30 FIEDRM CC(=O)[C@@H](C)CCCCC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000122484392 1089452015 /nfs/dbraw/zinc/45/20/15/1089452015.db2.gz OMGSNBAQUTWKFP-GUYCJALGSA-N -1 0 352.434 4.153 20 30 FIEDRM CCCCCOc1cc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)ccc1OC ZINC000435338537 1089543965 /nfs/dbraw/zinc/54/39/65/1089543965.db2.gz GLLWTBGCCXPTMK-KAMYIIQDSA-N -1 0 367.449 4.088 20 30 FIEDRM Cc1oc(C#N)cc1C([O-])=C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000435776074 1089930176 /nfs/dbraw/zinc/93/01/76/1089930176.db2.gz BIEFLQMRVPPMLN-LBPRGKRZSA-N -1 0 369.352 4.351 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2nscc2Br)s1 ZINC000651352734 1090281502 /nfs/dbraw/zinc/28/15/02/1090281502.db2.gz HSTCXEXANMVZGB-SSDOTTSWSA-N -1 0 370.297 4.150 20 30 FIEDRM N#CC(=C([O-])c1c[nH]c(C(F)(F)F)c1)c1nc2cc(F)ccc2s1 ZINC000644786665 1091005445 /nfs/dbraw/zinc/00/54/45/1091005445.db2.gz NMFQUHLXFSYKGS-VIFPVBQESA-N -1 0 353.300 4.272 20 30 FIEDRM N#CC(=C([O-])c1cncs1)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000644786718 1091005741 /nfs/dbraw/zinc/00/57/41/1091005741.db2.gz PLUDMOXYFLOQDH-QMMMGPOBSA-N -1 0 353.350 4.262 20 30 FIEDRM Cc1sc(Br)c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)c1C ZINC000441997184 1092366798 /nfs/dbraw/zinc/36/67/98/1092366798.db2.gz DTSQMFUIWFUYCS-JTQLQIEISA-N -1 0 374.263 4.494 20 30 FIEDRM Cn1nc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cc1C1CC1 ZINC000442674663 1092717302 /nfs/dbraw/zinc/71/73/02/1092717302.db2.gz ZEOMTEGPRTXRRC-NSHDSACASA-N -1 0 356.838 4.051 20 30 FIEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000439040513 1092771288 /nfs/dbraw/zinc/77/12/88/1092771288.db2.gz IGUKIWLMYCRXKQ-UHFFFAOYSA-N -1 0 363.508 4.150 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)cc1[O-] ZINC000442855262 1092826077 /nfs/dbraw/zinc/82/60/77/1092826077.db2.gz XEMHYQBWNTZRKL-UHFFFAOYSA-N -1 0 370.714 4.111 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1[O-] ZINC000442969089 1092896537 /nfs/dbraw/zinc/89/65/37/1092896537.db2.gz TXGPEIWWEQPESY-UHFFFAOYSA-N -1 0 361.382 4.386 20 30 FIEDRM N#CCCC[C@@H](NC(=O)N=c1ccc(-c2ccccc2)n[n-]1)c1ccccc1 ZINC000433038076 1093139905 /nfs/dbraw/zinc/13/99/05/1093139905.db2.gz HVMBYMCSGPBYSQ-LJQANCHMSA-N -1 0 371.444 4.122 20 30 FIEDRM Cc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000473486811 1093493391 /nfs/dbraw/zinc/49/33/91/1093493391.db2.gz FGOVPFABQNJVHG-OAHLLOKOSA-N -1 0 370.334 4.085 20 30 FIEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000216142792 1093704816 /nfs/dbraw/zinc/70/48/16/1093704816.db2.gz WTTOJUGBMDWRLS-UHFFFAOYSA-N -1 0 361.637 4.319 20 30 FIEDRM CSc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)ccc1NC(C)=O ZINC000474436386 1093783371 /nfs/dbraw/zinc/78/33/71/1093783371.db2.gz WRLLDQNWUKNKDK-ZDUSSCGKSA-N -1 0 373.503 4.437 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)c(Cl)c1 ZINC000183082695 1094279206 /nfs/dbraw/zinc/27/92/06/1094279206.db2.gz SEWCCGOZLKGIED-UHFFFAOYSA-N -1 0 373.821 4.031 20 30 FIEDRM COc1ccc(-c2nc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)cs2)cc1 ZINC000041495915 1094619572 /nfs/dbraw/zinc/61/95/72/1094619572.db2.gz UHJIUJWBFNKEHV-CQSZACIVSA-N -1 0 374.425 4.185 20 30 FIEDRM N#CC(=C([O-])c1csc(-c2cccs2)n1)c1nc2ccccc2[nH]1 ZINC000041495895 1094619773 /nfs/dbraw/zinc/61/97/73/1094619773.db2.gz FBRYLPVATJUYMZ-JTQLQIEISA-N -1 0 350.428 4.238 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2NC(=O)c2cccs2)n1 ZINC000041516520 1094643028 /nfs/dbraw/zinc/64/30/28/1094643028.db2.gz CAIRICWKLGGHTC-CYBMUJFWSA-N -1 0 367.455 4.255 20 30 FIEDRM COc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)ccc1OCC(C)C ZINC000041546609 1094648816 /nfs/dbraw/zinc/64/88/16/1094648816.db2.gz GEDUCTZXYVHVDZ-OAHLLOKOSA-N -1 0 364.401 4.361 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cc(C3CC3)nc3onc(C(C)C)c32)n1 ZINC000182557833 1094788171 /nfs/dbraw/zinc/78/81/71/1094788171.db2.gz ZNDYNYNMIYIIGC-CYBMUJFWSA-N -1 0 366.446 4.479 20 30 FIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cnc(C4CC4)nc3)n2)cc1 ZINC000520344300 1094854363 /nfs/dbraw/zinc/85/43/63/1094854363.db2.gz GTFLJCKFRSBAQH-INIZCTEOSA-N -1 0 360.442 4.276 20 30 FIEDRM COc1ccc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1CC(=O)[O-] ZINC000007353190 1094904231 /nfs/dbraw/zinc/90/42/31/1094904231.db2.gz BQNAZPUPMMAFOV-XBXARRHUSA-N -1 0 364.319 4.237 20 30 FIEDRM [O-]/C(Cc1cn2ccsc2n1)=N/[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000329505745 1094943116 /nfs/dbraw/zinc/94/31/16/1094943116.db2.gz LKBYFICBIWSTKJ-MRXNPFEDSA-N -1 0 369.494 4.284 20 30 FIEDRM COc1cc(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)on1 ZINC000183367519 1095015645 /nfs/dbraw/zinc/01/56/45/1095015645.db2.gz FVBFFRPGYKQODJ-SNVBAGLBSA-N -1 0 359.451 4.020 20 30 FIEDRM Cc1sc2ncc(/C([O-])=N/[C@@H]3CCCCC34CCCC4)c(=O)n2c1C ZINC000329642160 1095049502 /nfs/dbraw/zinc/04/95/02/1095049502.db2.gz YEMUSBCMBMOCOX-OAHLLOKOSA-N -1 0 359.495 4.180 20 30 FIEDRM O=C(Nc1cccc(Cl)c1[O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000329734951 1095241067 /nfs/dbraw/zinc/24/10/67/1095241067.db2.gz KPJCGOMTXPLWOL-RCBQFDQVSA-N -1 0 372.856 4.261 20 30 FIEDRM CCOc1nc2cc(C([O-])=C(C#N)c3nc4ccccc4s3)ccc2[nH]1 ZINC000436696960 1099229572 /nfs/dbraw/zinc/22/95/72/1099229572.db2.gz KDIUGSUXYVINQB-LBPRGKRZSA-N -1 0 362.414 4.061 20 30 FIEDRM N#Cc1cc(NC(=O)c2cc(Br)cc(Cl)c2[O-])ccc1F ZINC000436770998 1099311531 /nfs/dbraw/zinc/31/15/31/1099311531.db2.gz RMLVSGZLRMILFJ-UHFFFAOYSA-N -1 0 369.577 4.071 20 30 FIEDRM CC(=O)c1ccc([O-])c(NC(=O)c2ccccc2-c2ccccc2C#N)c1 ZINC000436861869 1099371580 /nfs/dbraw/zinc/37/15/80/1099371580.db2.gz MAELSXWRQMDCNX-UHFFFAOYSA-N -1 0 356.381 4.386 20 30 FIEDRM Cn1cc(/C=C(/CC(=O)[O-])c2nc3cc(Cl)ccc3s2)cc1C#N ZINC000516829966 1099837266 /nfs/dbraw/zinc/83/72/66/1099837266.db2.gz IKWAMPRWHMWPOH-WCIBSUBMSA-N -1 0 357.822 4.175 20 30 FIEDRM C=C(C)[C@@H](CC(=O)Nc1cc(Cl)cc(Br)c1[O-])OCC ZINC000533782238 1099928416 /nfs/dbraw/zinc/92/84/16/1099928416.db2.gz GHPJFRRXWBWHMX-GFCCVEGCSA-N -1 0 362.651 4.118 20 30 FIEDRM CO[C@@H](C)c1nc(=N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s[n-]1 ZINC000509588520 1100986367 /nfs/dbraw/zinc/98/63/67/1100986367.db2.gz WSDNTVNUSUJXAU-KBPBESRZSA-N -1 0 364.474 4.379 20 30 FIEDRM O=C(Nc1cccc(C#Cc2cccs2)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000585947004 1101167146 /nfs/dbraw/zinc/16/71/46/1101167146.db2.gz XLPICSXBOYQLJI-UHFFFAOYSA-N -1 0 364.382 4.014 20 30 FIEDRM Cn1ncc(C([O-])=C(C#N)c2nc3ccccc3s2)c1-c1ccccc1 ZINC000537061949 1101417748 /nfs/dbraw/zinc/41/77/48/1101417748.db2.gz DCDNCOQCXXGJBC-CQSZACIVSA-N -1 0 358.426 4.187 20 30 FIEDRM Cc1cccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)c1Cl ZINC000537196316 1101531022 /nfs/dbraw/zinc/53/10/22/1101531022.db2.gz IHASSKDKRJXBNL-UHFFFAOYSA-N -1 0 364.854 4.108 20 30 FIEDRM C=CCC1(CNC(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)CCCC1 ZINC000666550629 1102288134 /nfs/dbraw/zinc/28/81/34/1102288134.db2.gz HESLNYSFECTZNR-UHFFFAOYSA-N -1 0 370.493 4.410 20 30 FIEDRM CC(C)(C#N)c1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000476576546 1102403300 /nfs/dbraw/zinc/40/33/00/1102403300.db2.gz PXSDITLTBYJQLL-UHFFFAOYSA-N -1 0 359.769 4.007 20 30 FIEDRM N#CC(=C([O-])c1csc(-c2ccc(F)cc2)n1)c1nc2ccccc2[nH]1 ZINC000123107530 1102779323 /nfs/dbraw/zinc/77/93/23/1102779323.db2.gz CIXABDPKSKCSEA-ZDUSSCGKSA-N -1 0 362.389 4.316 20 30 FIEDRM Cc1cc(C)c(C(=O)[O-])cc1NCc1cn(CCC#N)nc1-c1ccccc1 ZINC000551058003 1102874299 /nfs/dbraw/zinc/87/42/99/1102874299.db2.gz SMXXDTDDAMVDKL-UHFFFAOYSA-N -1 0 374.444 4.391 20 30 FIEDRM CCS[C@H](C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(C)C ZINC000067600509 1102997929 /nfs/dbraw/zinc/99/79/29/1102997929.db2.gz ONCPOMLOESIOEE-NSHDSACASA-N -1 0 370.323 4.416 20 30 FIEDRM CCS[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(C)C ZINC000067600514 1102997978 /nfs/dbraw/zinc/99/79/78/1102997978.db2.gz XSLRLPMUXFONMD-LBPRGKRZSA-N -1 0 369.430 4.128 20 30 FIEDRM CCc1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-] ZINC000473932016 1104415459 /nfs/dbraw/zinc/41/54/59/1104415459.db2.gz KBILZUMTHULUNH-CYBMUJFWSA-N -1 0 363.295 4.061 20 30 FIEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000026547715 1107430975 /nfs/dbraw/zinc/43/09/75/1107430975.db2.gz FSGVXBGSVYVVFC-UHFFFAOYSA-N -1 0 368.380 4.307 20 30 FIEDRM CCSc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000523534163 1108294166 /nfs/dbraw/zinc/29/41/66/1108294166.db2.gz RUMNLCPJDIVSBC-UHFFFAOYSA-N -1 0 370.858 4.264 20 30 FIEDRM CC(F)(F)c1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cn1 ZINC000453563473 1108600690 /nfs/dbraw/zinc/60/06/90/1108600690.db2.gz DLUVMQBMZAVKQK-NSHDSACASA-N -1 0 355.266 4.097 20 30 FIEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C\c1ccc(-c2c(F)cccc2F)o1 ZINC000524528410 1109054689 /nfs/dbraw/zinc/05/46/89/1109054689.db2.gz XJMZRTJWZGJDNP-YVMONPNESA-N -1 0 352.296 4.360 20 30 FIEDRM C=CCN(C(=O)c1cc(F)c([O-])c(Cl)c1)c1nc2c(s1)CCCC2 ZINC000446306129 1109181965 /nfs/dbraw/zinc/18/19/65/1109181965.db2.gz SCOAMPQMECDHBN-UHFFFAOYSA-N -1 0 366.845 4.353 20 30 FIEDRM CC(C)c1cccc(-n2cc([O-])c(C(=O)Nc3ccc(CC#N)cc3)n2)c1 ZINC000525619021 1109456484 /nfs/dbraw/zinc/45/64/84/1109456484.db2.gz QGZSNFWNOXTIIS-UHFFFAOYSA-N -1 0 360.417 4.020 20 30 FIEDRM Cc1ccc(CN=c2[n-]nc(SCc3ccc(C#N)cc3)s2)cc1F ZINC000447959936 1109687768 /nfs/dbraw/zinc/68/77/68/1109687768.db2.gz UUGFEWBOVXLPQV-UHFFFAOYSA-N -1 0 370.478 4.184 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc3cc(C)c(C)cc3o2)n1 ZINC000527101561 1109692410 /nfs/dbraw/zinc/69/24/10/1109692410.db2.gz AIRXLSPCBLNPOI-ZDUSSCGKSA-N -1 0 368.414 4.173 20 30 FIEDRM CSc1ccc([N+](=O)[O-])c(C([O-])=C(C#N)c2nc3ccccc3s2)c1 ZINC000041501342 1111520766 /nfs/dbraw/zinc/52/07/66/1111520766.db2.gz OQFSSMMPSDOEMZ-LBPRGKRZSA-N -1 0 369.427 4.416 20 30 FIEDRM N#Cc1cc(F)cc(C2(C(=O)Nc3cc(Cl)cc(Cl)c3[O-])CC2)c1 ZINC000552125050 1111592222 /nfs/dbraw/zinc/59/22/22/1111592222.db2.gz DFKFOFRFWYTBQJ-UHFFFAOYSA-N -1 0 365.191 4.380 20 30 FIEDRM C=C(C)COc1cccc(NS(=O)(=O)c2ccc3ncsc3c2)c1 ZINC000479491283 1112044638 /nfs/dbraw/zinc/04/46/38/1112044638.db2.gz PGPXPRUSNPOFOZ-UHFFFAOYSA-N -1 0 360.460 4.052 20 30 FIEDRM CC[C@@H](C)n1nc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cc1C ZINC000480933896 1112681908 /nfs/dbraw/zinc/68/19/08/1112681908.db2.gz BCCMOCZWSFHZDV-ZWNOBZJWSA-N -1 0 350.344 4.066 20 30 FIEDRM N#Cc1ccccc1C=CC(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000042232962 1112839126 /nfs/dbraw/zinc/83/91/26/1112839126.db2.gz SRPDAMZQYQCSKF-ZRDIBKRKSA-N -1 0 362.410 4.070 20 30 FIEDRM COc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)cc([N+](=O)[O-])c1C ZINC000482549038 1113291487 /nfs/dbraw/zinc/29/14/87/1113291487.db2.gz BVJKSKWPDFLTNV-LBPRGKRZSA-N -1 0 367.386 4.012 20 30 FIEDRM N#CC(=C([O-])c1cc(-c2ccccc2Cl)on1)c1cnc2ccccc2n1 ZINC000483226526 1113465038 /nfs/dbraw/zinc/46/50/38/1113465038.db2.gz GQHGFIBCHNMVQU-ZDUSSCGKSA-N -1 0 374.787 4.428 20 30 FIEDRM COc1ccc2nc(C([O-])=C(C#N)c3nccc4ccccc43)ccc2c1 ZINC000483211280 1113466021 /nfs/dbraw/zinc/46/60/21/1113466021.db2.gz OCYUBCQALFZOQG-GOSISDBHSA-N -1 0 353.381 4.282 20 30 FIEDRM Cn1ncc(C([O-])=C(C#N)c2nccc3ccccc32)c1-c1ccccc1 ZINC000483232930 1113473111 /nfs/dbraw/zinc/47/31/11/1113473111.db2.gz IFTBBKQKXNTDRK-GOSISDBHSA-N -1 0 352.397 4.125 20 30 FIEDRM C=C[C@H](CC(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])c(C)s1)c1ccccc1 ZINC000910728630 1113898591 /nfs/dbraw/zinc/89/85/91/1113898591.db2.gz VLJDNMZWWBROHX-GDBMZVCRSA-N -1 0 370.474 4.173 20 30 FIEDRM C=C[C@H]1CCCCN1C(=O)N=c1[n-]nc([C@@H](CC)c2ccccc2)s1 ZINC000488336286 1113910858 /nfs/dbraw/zinc/91/08/58/1113910858.db2.gz UJRUCIRCMWUNQF-HOTGVXAUSA-N -1 0 356.495 4.074 20 30 FIEDRM C=CCn1cccc1C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000488771232 1113992428 /nfs/dbraw/zinc/99/24/28/1113992428.db2.gz QKPVSXWZYHGLCL-UHFFFAOYSA-N -1 0 355.619 4.048 20 30 FIEDRM C=CCn1cccc1C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000488804680 1113997611 /nfs/dbraw/zinc/99/76/11/1113997611.db2.gz VZTBIJOBUPZQHI-UHFFFAOYSA-N -1 0 355.619 4.048 20 30 FIEDRM COc1ccc(/C=C/C(=O)c2ccc(F)cc2[O-])cc1OCCCC#N ZINC000156716187 1114537681 /nfs/dbraw/zinc/53/76/81/1114537681.db2.gz WSQUSPZYGAFPDM-XBXARRHUSA-N -1 0 355.365 4.119 20 30 FIEDRM N#CCc1cccc(S(=O)(=O)[N-]c2ncc(C3CCCCC3)s2)c1 ZINC000589589225 1114813949 /nfs/dbraw/zinc/81/39/49/1114813949.db2.gz UQVZCOMCATUUKE-UHFFFAOYSA-N -1 0 361.492 4.058 20 30 FIEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000057125690 1114874024 /nfs/dbraw/zinc/87/40/24/1114874024.db2.gz BEADRGILGWUAEH-UHFFFAOYSA-N -1 0 371.245 4.065 20 30 FIEDRM N#CC(=C([O-])c1cc(-c2ccccc2)[nH]n1)c1nc2cc(F)ccc2s1 ZINC000592973237 1115272332 /nfs/dbraw/zinc/27/23/32/1115272332.db2.gz AZLGJKUUODJDLB-CYBMUJFWSA-N -1 0 362.389 4.316 20 30 FIEDRM N#CC(=C([O-])c1ccc(C(F)(F)F)nc1)c1nc2cc(F)ccc2s1 ZINC000592974098 1115272639 /nfs/dbraw/zinc/27/26/39/1115272639.db2.gz NSTNEVYYBDMBCW-JTQLQIEISA-N -1 0 365.311 4.339 20 30 FIEDRM CC(=O)Nc1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)ccc1C ZINC000592974055 1115272930 /nfs/dbraw/zinc/27/29/30/1115272930.db2.gz NCLRRDDKFVQNSO-CQSZACIVSA-N -1 0 367.405 4.192 20 30 FIEDRM CC(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593200883 1115306276 /nfs/dbraw/zinc/30/62/76/1115306276.db2.gz WTNNVEIIHIDHIH-UHFFFAOYSA-N -1 0 358.463 4.076 20 30 FIEDRM O=C(CCSc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000046708901 1115492756 /nfs/dbraw/zinc/49/27/56/1115492756.db2.gz XRTCGZHJUJEFLY-UHFFFAOYSA-N -1 0 355.868 4.168 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000046927383 1115548755 /nfs/dbraw/zinc/54/87/55/1115548755.db2.gz GNEXGWXWBGBPHL-UHFFFAOYSA-N -1 0 365.454 4.472 20 30 FIEDRM CC(C)(C)c1ccc(-c2ccc(C([O-])=C(C#N)C(=O)N3CCCC3)o2)cc1 ZINC000173936247 1116098561 /nfs/dbraw/zinc/09/85/61/1116098561.db2.gz SMGPZLABAPZTGE-QGZVFWFLSA-N -1 0 364.445 4.189 20 30 FIEDRM CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000325217261 1116194682 /nfs/dbraw/zinc/19/46/82/1116194682.db2.gz PBLCULVCRVXEGM-UHFFFAOYSA-N -1 0 364.854 4.016 20 30 FIEDRM N#Cc1ccc(OC(F)F)c([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000609069286 1116248012 /nfs/dbraw/zinc/24/80/12/1116248012.db2.gz PFKKBIRMRKOPNN-UHFFFAOYSA-N -1 0 374.368 4.114 20 30 FIEDRM N#CC(=C([O-])c1ccn(-c2ccc(Cl)cc2)n1)c1nc2ccccc2o1 ZINC000535315071 1116292531 /nfs/dbraw/zinc/29/25/31/1116292531.db2.gz POGKSNYTQVMYCA-CQSZACIVSA-N -1 0 362.776 4.157 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2ccccc2COCc2ccccc2)cc1[O-] ZINC000442725251 1116292867 /nfs/dbraw/zinc/29/28/67/1116292867.db2.gz YFLGEXCZCHEVKT-UHFFFAOYSA-N -1 0 358.397 4.233 20 30 FIEDRM CCC(=O)c1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000541200007 1118420767 /nfs/dbraw/zinc/42/07/67/1118420767.db2.gz TVFAKXPLNWUJBS-INIZCTEOSA-N -1 0 361.426 4.288 20 30 FIEDRM CSc1c(F)cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc1F ZINC000541306174 1118468108 /nfs/dbraw/zinc/46/81/08/1118468108.db2.gz HNXRQIISIOGIIL-UHFFFAOYSA-N -1 0 374.821 4.013 20 30 FIEDRM CCc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cnn1CC(C)C ZINC000464467624 1118572397 /nfs/dbraw/zinc/57/23/97/1118572397.db2.gz LFAAEGJKUTZCHK-CYBMUJFWSA-N -1 0 364.371 4.005 20 30 FIEDRM N#CC(=C([O-])c1csc(C(F)(F)F)n1)c1cc(C(F)(F)F)ccn1 ZINC000464480081 1118584836 /nfs/dbraw/zinc/58/48/36/1118584836.db2.gz XVFWLAPOGPNORF-SSDOTTSWSA-N -1 0 365.258 4.066 20 30 FIEDRM Cc1ccc(-c2ccc(C([O-])=C(C#N)c3nc4[nH]ccc(C)c-4n3)s2)o1 ZINC000541950341 1118718953 /nfs/dbraw/zinc/71/89/53/1118718953.db2.gz FMQCSNPBAGWSJA-LBPRGKRZSA-N -1 0 362.414 4.386 20 30 FIEDRM CCOc1ncc(C([O-])=C(C#N)c2nc3ccccc3s2)cc1Cl ZINC000491920403 1118994946 /nfs/dbraw/zinc/99/49/46/1118994946.db2.gz JYFKNMFLOSLJQN-LLVKDONJSA-N -1 0 357.822 4.233 20 30 FIEDRM CC1(C)c2cc(C([O-])=C(C#N)c3nc4ccccc4s3)ccc2NC1=O ZINC000492262952 1119057439 /nfs/dbraw/zinc/05/74/39/1119057439.db2.gz YOZSLLHNCVGFSQ-GFCCVEGCSA-N -1 0 361.426 4.016 20 30 FIEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@H](C)CCCCCC)cc2[n-]c1=S ZINC000031093661 1119252296 /nfs/dbraw/zinc/25/22/96/1119252296.db2.gz ICZYXQKDEYIMKB-CQSZACIVSA-N -1 0 373.522 4.334 20 30 FIEDRM COc1ccc(-c2cncc(C([O-])=C(C#N)c3nc4ccccc4o3)c2)cc1 ZINC000177137163 1119313751 /nfs/dbraw/zinc/31/37/51/1119313751.db2.gz MSKTXSRSUIXJMG-SFHVURJKSA-N -1 0 369.380 4.388 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccnc(OCC(F)(F)F)c2)n1 ZINC000177765184 1119349964 /nfs/dbraw/zinc/34/99/64/1119349964.db2.gz JBGPBRPBAJCTJQ-LLVKDONJSA-N -1 0 369.368 4.093 20 30 FIEDRM CCCN(CC)c1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cn1 ZINC000183128779 1119566687 /nfs/dbraw/zinc/56/66/87/1119566687.db2.gz CLDVNHXUOABSCY-HNNXBMFYSA-N -1 0 356.495 4.388 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2SC2CCCC2)cc1 ZINC000032094455 1120377890 /nfs/dbraw/zinc/37/78/90/1120377890.db2.gz PWEIYFWTMODMHA-UHFFFAOYSA-N -1 0 358.488 4.394 20 30 FIEDRM CCN(CC)C(=O)Nc1ccc(C(C)=NNc2cccc(C(=O)[O-])c2)cc1 ZINC000914772429 1120530266 /nfs/dbraw/zinc/53/02/66/1120530266.db2.gz VKFDJIQOVWIFOW-UHFFFAOYSA-N -1 0 368.437 4.095 20 30 FIEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2ccc(F)c(Br)c2)cc1 ZINC000915106157 1120814899 /nfs/dbraw/zinc/81/48/99/1120814899.db2.gz LXDFAWBFBAEVKL-XBXARRHUSA-N -1 0 363.182 4.111 20 30 FIEDRM CCCOc1ccc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)cc1OC ZINC000915105841 1120815335 /nfs/dbraw/zinc/81/53/35/1120815335.db2.gz GZQSDQOBSFNNGR-UXBLZVDNSA-N -1 0 354.402 4.007 20 30 FIEDRM CCOC(=O)N[C@@H](C/N=C/c1cc(Cl)cc(Cl)c1[O-])CC(C)C ZINC000915112899 1120819982 /nfs/dbraw/zinc/81/99/82/1120819982.db2.gz JTAOMEQRYXOHKZ-KMDAILJESA-N -1 0 361.269 4.279 20 30 FIEDRM N#Cc1ccc(-c2cccc(CNC(=O)c3cc(F)c([O-])c(F)c3)c2)s1 ZINC000762605299 1120938629 /nfs/dbraw/zinc/93/86/29/1120938629.db2.gz KLYGDCHKUUBLOB-UHFFFAOYSA-N -1 0 370.380 4.201 20 30 FIEDRM CC(=Cc1ccc(-c2ccc(F)cc2)s1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000193613338 1120982346 /nfs/dbraw/zinc/98/23/46/1120982346.db2.gz NMMZIUWUFBKKHQ-PKNBQFBNSA-N -1 0 351.406 4.378 20 30 FIEDRM Cn1c(C=NNc2ccc(Cl)c(C(=O)[O-])c2)nc2ccc(Cl)cc21 ZINC000763339573 1121340831 /nfs/dbraw/zinc/34/08/31/1121340831.db2.gz QXLGRGITOBXKQI-UHFFFAOYSA-N -1 0 363.204 4.024 20 30 FIEDRM CC(N=Nc1nc(-c2ccccc2)cs1)c1ccc(CC(=O)[O-])cc1 ZINC000915956341 1121352894 /nfs/dbraw/zinc/35/28/94/1121352894.db2.gz RPCKQLANAJZTDW-UHFFFAOYSA-N -1 0 351.431 4.273 20 30 FIEDRM N#Cc1cccc(COc2cccc(C=NNc3ccccc3C(=O)[O-])c2)c1 ZINC000915956722 1121353689 /nfs/dbraw/zinc/35/36/89/1121353689.db2.gz ZPZHNJQJNGRTAH-UHFFFAOYSA-N -1 0 371.396 4.281 20 30 FIEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2cc(Br)ccc2F)cc1 ZINC000915990476 1121368827 /nfs/dbraw/zinc/36/88/27/1121368827.db2.gz LVKAWEFFMSIKAP-VMPITWQZSA-N -1 0 363.182 4.111 20 30 FIEDRM O=C([O-])COc1cccc(C(=O)/C=C\c2ccc(Cl)cc2Cl)c1 ZINC000916157933 1121430278 /nfs/dbraw/zinc/43/02/78/1121430278.db2.gz XWNXZVCPYVFIMG-ALCCZGGFSA-N -1 0 351.185 4.353 20 30 FIEDRM CCCOc1c(Cl)cc(C=NNc2cccc(C(=O)[O-])c2)cc1OC ZINC000916539733 1121537257 /nfs/dbraw/zinc/53/72/57/1121537257.db2.gz GJJIDAWFEAEHBK-UHFFFAOYSA-N -1 0 362.813 4.282 20 30 FIEDRM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1ccc(Cl)o1 ZINC000130458834 1121583106 /nfs/dbraw/zinc/58/31/06/1121583106.db2.gz WBOYCGGERUBFMV-JTQLQIEISA-N -1 0 357.580 4.201 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)Cc1ccccc1-2 ZINC000916875057 1121905381 /nfs/dbraw/zinc/90/53/81/1121905381.db2.gz QNIBNEASXISBGL-NRFANRHFSA-N -1 0 360.457 4.277 20 30 FIEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc2c(s1)-c1ccccc1CC2 ZINC000916874685 1121905612 /nfs/dbraw/zinc/90/56/12/1121905612.db2.gz IDXZKJGPHUSNLE-KRWDZBQOSA-N -1 0 366.486 4.143 20 30 FIEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(C2CCCCC2)cc1 ZINC000916886303 1121910183 /nfs/dbraw/zinc/91/01/83/1121910183.db2.gz JVXOEFXAOSAHCQ-OAQYLSRUSA-N -1 0 360.457 4.373 20 30 FIEDRM N#CC(C(=O)c1cc2ccccc2o1)=C([O-])c1sccc1Br ZINC000917018893 1122007181 /nfs/dbraw/zinc/00/71/81/1122007181.db2.gz CQPWZRWZTRPLCD-JTQLQIEISA-N -1 0 374.215 4.462 20 30 FIEDRM O=C([O-])c1ccc(NN=Cc2c(-c3ccccc3)nc3sccn23)cc1 ZINC000917022539 1122009359 /nfs/dbraw/zinc/00/93/59/1122009359.db2.gz MZSUJUFADGFADG-UHFFFAOYSA-N -1 0 362.414 4.207 20 30 FIEDRM N#CC(=C([O-])c1cnn(-c2cccc(Cl)c2)c1)c1nc2ccccc2o1 ZINC000066516589 1122069637 /nfs/dbraw/zinc/06/96/37/1122069637.db2.gz LJRGGZLQGRKTJJ-OAHLLOKOSA-N -1 0 362.776 4.157 20 30 FIEDRM N#Cc1cc(F)c(C(=O)[N-]c2c(F)cc(Br)cc2F)c(F)c1 ZINC000153542729 1122124244 /nfs/dbraw/zinc/12/42/44/1122124244.db2.gz OTWTUAVHDQQXBG-UHFFFAOYSA-N -1 0 373.103 4.129 20 30 FIEDRM Cn1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c1C1CCC1 ZINC000497366475 1122145700 /nfs/dbraw/zinc/14/57/00/1122145700.db2.gz RLWYPAQAQOGUFT-INIZCTEOSA-N -1 0 362.458 4.301 20 30 FIEDRM N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc3c(cc2O)OCO3)cc1 ZINC000917119373 1122158666 /nfs/dbraw/zinc/15/86/66/1122158666.db2.gz AUUQLLUPQLZPEJ-GOSISDBHSA-N -1 0 372.380 4.029 20 30 FIEDRM CCc1nc(C)c(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)o1 ZINC000497445635 1122229063 /nfs/dbraw/zinc/22/90/63/1122229063.db2.gz UPASPAPETUAUMC-JTQLQIEISA-N -1 0 373.384 4.437 20 30 FIEDRM CCC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000917532408 1122351121 /nfs/dbraw/zinc/35/11/21/1122351121.db2.gz JPEFJEYROKKBKH-UHFFFAOYSA-N -1 0 360.797 4.036 20 30 FIEDRM COCCOc1cc(C)ccc1N=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000917558876 1122352973 /nfs/dbraw/zinc/35/29/73/1122352973.db2.gz BCZXNHFHEJCMCW-UHFFFAOYSA-N -1 0 364.785 4.038 20 30 FIEDRM O=C([O-])c1ccc(-c2ccc(C(=O)/C=C3\COc4ccc(F)cc43)cc2)o1 ZINC000918156423 1122577132 /nfs/dbraw/zinc/57/71/32/1122577132.db2.gz QBWVIKWOFNQDEB-NTEUORMPSA-N -1 0 364.328 4.443 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)COc1c(C)cc(C)cc1C ZINC000920101759 1123350017 /nfs/dbraw/zinc/35/00/17/1123350017.db2.gz HVBKLOSAHWPOSB-SFHVURJKSA-N -1 0 374.440 4.372 20 30 FIEDRM CCOC(=O)[C@@H](Cc1ccccc1)/N=C\c1cc(Cl)cc(Cl)c1[O-] ZINC000920174043 1123403220 /nfs/dbraw/zinc/40/32/20/1123403220.db2.gz JDJDYQOYVRKTIJ-NBZOHKLQSA-N -1 0 366.244 4.292 20 30 FIEDRM C[C@@H](C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])COCc1ccccc1 ZINC000920174267 1123403514 /nfs/dbraw/zinc/40/35/14/1123403514.db2.gz LJKVBKHFIBBQLZ-NPNVKNKFSA-N -1 0 362.813 4.226 20 30 FIEDRM Cc1cccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)c1[N+](=O)[O-] ZINC000609321509 1123536298 /nfs/dbraw/zinc/53/62/98/1123536298.db2.gz BWVVBGRGDGRJAZ-LBPRGKRZSA-N -1 0 355.350 4.142 20 30 FIEDRM O=C([O-])c1ccccc1N=NCc1c[nH]c2ccc(Br)cc12 ZINC000920953279 1123541564 /nfs/dbraw/zinc/54/15/64/1123541564.db2.gz FTULUGFGTSUEFC-UHFFFAOYSA-N -1 0 358.195 4.075 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2ccc(C(=O)Nc3ccccc3)cc2)n1 ZINC000136091572 1123837984 /nfs/dbraw/zinc/83/79/84/1123837984.db2.gz YOUZJIPOAOSKKP-QGZVFWFLSA-N -1 0 361.426 4.194 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2ccc(C(=O)Nc3ccccc3)cc2)n1 ZINC000136091527 1123838059 /nfs/dbraw/zinc/83/80/59/1123838059.db2.gz YOUZJIPOAOSKKP-KRWDZBQOSA-N -1 0 361.426 4.194 20 30 FIEDRM CSc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000609985171 1123907813 /nfs/dbraw/zinc/90/78/13/1123907813.db2.gz NQPJEISCLMBWIP-UHFFFAOYSA-N -1 0 372.393 4.100 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccccc2N(C)C(=O)C2CC2)n1 ZINC000080452806 1123966180 /nfs/dbraw/zinc/96/61/80/1123966180.db2.gz VANLDXFKPBWJSX-OAHLLOKOSA-N -1 0 367.474 4.129 20 30 FIEDRM Cc1ccccc1-n1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cn1 ZINC000080455980 1123966426 /nfs/dbraw/zinc/96/64/26/1123966426.db2.gz DGYWLJHCHDHOIU-HNNXBMFYSA-N -1 0 350.447 4.251 20 30 FIEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1cnc2ccc(F)cc2c1 ZINC000179588648 1124008648 /nfs/dbraw/zinc/00/86/48/1124008648.db2.gz XDGKISKEWMXNOQ-QGZVFWFLSA-N -1 0 371.371 4.369 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cc(C)n(-c3cccc(Cl)c3)n2)n1 ZINC000179829148 1124112634 /nfs/dbraw/zinc/11/26/34/1124112634.db2.gz GTXSZJDAHUMHIB-CQSZACIVSA-N -1 0 356.838 4.089 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)nn1-c1cc(C)cc(C)c1 ZINC000179917114 1124142469 /nfs/dbraw/zinc/14/24/69/1124142469.db2.gz BIVXCBLBTXPSID-KRWDZBQOSA-N -1 0 370.412 4.429 20 30 FIEDRM CCCc1cc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)n[nH]1 ZINC000068349132 1124190569 /nfs/dbraw/zinc/19/05/69/1124190569.db2.gz OOFDDCWIZVFGBN-LLVKDONJSA-N -1 0 372.400 4.254 20 30 FIEDRM C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000108251715 1124270002 /nfs/dbraw/zinc/27/00/02/1124270002.db2.gz CJDZBVYQDVEFGR-LLVKDONJSA-N -1 0 368.430 4.017 20 30 FIEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000007056901 1124862208 /nfs/dbraw/zinc/86/22/08/1124862208.db2.gz IJJGPFSPIDODKY-UHFFFAOYSA-N -1 0 360.744 4.031 20 30 FIEDRM CCCc1c(C([O-])=C(C#N)c2nc(C)cs2)cnn1-c1ccccc1 ZINC000181462336 1124944855 /nfs/dbraw/zinc/94/48/55/1124944855.db2.gz JDCCZXGMDFDJKD-HNNXBMFYSA-N -1 0 350.447 4.080 20 30 FIEDRM N#CC(=C([O-])c1scnc1C1CC1)c1nc(-c2ccncc2)cs1 ZINC000089967744 1124972228 /nfs/dbraw/zinc/97/22/28/1124972228.db2.gz UHGGOZMOLGXCNI-LBPRGKRZSA-N -1 0 352.444 4.029 20 30 FIEDRM CC(C)(C(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000069571369 1124991556 /nfs/dbraw/zinc/99/15/56/1124991556.db2.gz YHGSCACFLQDKBS-UHFFFAOYSA-N -1 0 371.380 4.328 20 30 FIEDRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)CCc2ccsc2)c1C ZINC000069603852 1125014287 /nfs/dbraw/zinc/01/42/87/1125014287.db2.gz NACIHQSBOTVDAV-UHFFFAOYSA-N -1 0 351.493 4.260 20 30 FIEDRM CC(C)OCCC(=O)[N-]S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000069621749 1125043795 /nfs/dbraw/zinc/04/37/95/1125043795.db2.gz HBVODWXOSPTRAU-UHFFFAOYSA-N -1 0 353.484 4.195 20 30 FIEDRM Cc1nc2c(cccc2C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)o1 ZINC000672582095 1125188664 /nfs/dbraw/zinc/18/86/64/1125188664.db2.gz XBAXBTNLXBSGJS-AWEZNQCLSA-N -1 0 360.398 4.145 20 30 FIEDRM N#Cc1ccc2c(c1)CC[C@@H]2N=c1[n-]nc(-c2ccccc2Cl)s1 ZINC000618693226 1125247695 /nfs/dbraw/zinc/24/76/95/1125247695.db2.gz CEQLMMPRONQUPA-INIZCTEOSA-N -1 0 352.850 4.251 20 30 FIEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](CC2CCC2)c2ccccc2)cc1C#N ZINC000482114437 568279634 /nfs/dbraw/zinc/27/96/34/568279634.db2.gz OPWXGYOQNFQCGY-QGZVFWFLSA-N -1 0 367.474 4.042 20 30 FIEDRM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1 ZINC000471106629 1079573002 /nfs/dbraw/zinc/57/30/02/1079573002.db2.gz BJHKFAZRHAAVMJ-UHFFFAOYSA-N -1 0 364.785 4.206 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc(OCC(F)(F)F)o2)n1 ZINC000654982287 1079799978 /nfs/dbraw/zinc/79/99/78/1079799978.db2.gz CGSBHNOCWSFGNZ-VIFPVBQESA-N -1 0 358.341 4.291 20 30 FIEDRM N#CC(=C([O-])c1sc2ccccc2c1Cl)c1nnc2n1CCCCC2 ZINC000120610950 1080318873 /nfs/dbraw/zinc/31/88/73/1080318873.db2.gz ODXHWPDFCNUCNF-GFCCVEGCSA-N -1 0 370.865 4.363 20 30 FIEDRM C[C@H](/N=C/c1cc(Cl)cc(Cl)c1[O-])c1ccc2c(c1)CC(=O)N2C ZINC000728226083 1080578318 /nfs/dbraw/zinc/57/83/18/1080578318.db2.gz HJFAIRCVSGQSDB-LUKZVCJISA-N -1 0 363.244 4.398 20 30 FIEDRM Cc1cc(C(=O)/C=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1O ZINC000728232458 1080723516 /nfs/dbraw/zinc/72/35/16/1080723516.db2.gz SVLDFVVGNUAARP-TWGQIWQCSA-N -1 0 366.417 4.495 20 30 FIEDRM O=C(CC(C1CC1)C1CC1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000065042177 1080902360 /nfs/dbraw/zinc/90/23/60/1080902360.db2.gz OPUZUMVJIFQQOI-UHFFFAOYSA-N -1 0 361.385 4.177 20 30 FIEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1ccc(OC(F)F)cc1 ZINC000121034181 1081225068 /nfs/dbraw/zinc/22/50/68/1081225068.db2.gz CEXVREOFIXDUAP-HNNXBMFYSA-N -1 0 368.339 4.283 20 30 FIEDRM O=C(Cc1cccc2ccccc21)[N-]S(=O)(=O)c1ccccc1Cl ZINC000048575941 1081381027 /nfs/dbraw/zinc/38/10/27/1081381027.db2.gz DJTQFMLYESRHDH-UHFFFAOYSA-N -1 0 359.834 4.381 20 30 FIEDRM Cc1nc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)sc1C ZINC000683689644 1081386859 /nfs/dbraw/zinc/38/68/59/1081386859.db2.gz GPEQYFNNHGOHLI-AWEZNQCLSA-N -1 0 364.455 4.245 20 30 FIEDRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@H](C)c3cccc(C#N)c3)n2)cc1 ZINC000610366639 1081551065 /nfs/dbraw/zinc/55/10/65/1081551065.db2.gz NWUJKCAJBYFRHZ-OAHLLOKOSA-N -1 0 374.444 4.064 20 30 FIEDRM O=C1/C(=C/c2ccc([N+](=O)[O-])c([O-])c2)CC/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000748145898 1081569215 /nfs/dbraw/zinc/56/92/15/1081569215.db2.gz CXOFGTYLEBYFCH-DJJIWSAGSA-N -1 0 366.329 4.039 20 30 FIEDRM O=C1c2ccc(Cl)c(Cl)c2OC/C1=C/c1ccc([N+](=O)[O-])c([O-])c1 ZINC000748147379 1081591761 /nfs/dbraw/zinc/59/17/61/1081591761.db2.gz NPARRFRKUMJMPQ-UITAMQMPSA-N -1 0 366.156 4.266 20 30 FIEDRM COc1cc(C(=O)/C=C/c2cccc(OCCC(=O)[O-])c2)ccc1SC ZINC000050234553 1081951939 /nfs/dbraw/zinc/95/19/39/1081951939.db2.gz ABQGGLWJRDAVSV-SOFGYWHQSA-N -1 0 372.442 4.167 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000430587939 1082529978 /nfs/dbraw/zinc/52/99/78/1082529978.db2.gz BPAOJMNEMHOFSQ-NSHDSACASA-N -1 0 363.826 4.492 20 30 FIEDRM CO[C@H](C)c1nc(C)c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)s1 ZINC000430611835 1082659257 /nfs/dbraw/zinc/65/92/57/1082659257.db2.gz PTDWTHHPWPGVFC-MNOVXSKESA-N -1 0 363.508 4.403 20 30 FIEDRM CC(N=Nc1ccc(C(F)(F)F)nn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000754711549 1082707403 /nfs/dbraw/zinc/70/74/03/1082707403.db2.gz ZGSQZOAZGZQYJA-UHFFFAOYSA-N -1 0 365.142 4.344 20 30 FIEDRM Cc1nn(-c2ccccc2)cc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430630707 1082768327 /nfs/dbraw/zinc/76/83/27/1082768327.db2.gz SFBWSPGDIBXJHT-HNNXBMFYSA-N -1 0 364.474 4.425 20 30 FIEDRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCCOCc1ccccc1 ZINC000077879531 1082798023 /nfs/dbraw/zinc/79/80/23/1082798023.db2.gz YWZVVZLDVNVVIH-MRXNPFEDSA-N -1 0 361.463 4.031 20 30 FIEDRM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)Cc1ccc2ccccc2c1 ZINC000077880657 1082798032 /nfs/dbraw/zinc/79/80/32/1082798032.db2.gz DMNYFFHHJOPDPV-HNNXBMFYSA-N -1 0 353.443 4.430 20 30 FIEDRM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCn1ccc2ccccc21 ZINC000077881177 1082798048 /nfs/dbraw/zinc/79/80/48/1082798048.db2.gz KGJBQDDMVOJLJL-HNNXBMFYSA-N -1 0 356.447 4.079 20 30 FIEDRM N#CC(=C([O-])c1cc(F)cc(Br)c1)c1nc(C2CC2)cs1 ZINC000647375811 1083366880 /nfs/dbraw/zinc/36/68/80/1083366880.db2.gz GCARVXWSGBEQNH-LBPRGKRZSA-N -1 0 365.227 4.412 20 30 FIEDRM O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc(Oc3ccc(Cl)nn3)cc2)c1 ZINC000255832318 1083563564 /nfs/dbraw/zinc/56/35/64/1083563564.db2.gz SKJBRWSPNRTZBE-UHFFFAOYSA-N -1 0 370.752 4.287 20 30 FIEDRM CCCCC[C@@H](NC(=O)c1cc(C#N)c(SC)[n-]c1=O)c1ccccc1 ZINC000102791904 1083617253 /nfs/dbraw/zinc/61/72/53/1083617253.db2.gz ROENSAIIVHBOJO-QGZVFWFLSA-N -1 0 369.490 4.020 20 30 FIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cn(C)nc3C(F)F)n2)cc1 ZINC000535839352 1083796297 /nfs/dbraw/zinc/79/62/97/1083796297.db2.gz XEWGVZZRHPLKCN-LBPRGKRZSA-N -1 0 372.400 4.280 20 30 FIEDRM N#CC(=C([O-])c1cccc(C#N)n1)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000685784321 1083914755 /nfs/dbraw/zinc/91/47/55/1083914755.db2.gz ZAGDWQFKQXUNCW-NSHDSACASA-N -1 0 372.331 4.072 20 30 FIEDRM Cc1cccc(OCCCCC(=O)[N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC000066002650 1083944089 /nfs/dbraw/zinc/94/40/89/1083944089.db2.gz XNVOTGBYFCRPRT-UHFFFAOYSA-N -1 0 361.463 4.198 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2cc(Cl)nc(N3CCCC3)c2)n1 ZINC000177774614 1084316109 /nfs/dbraw/zinc/31/61/09/1084316109.db2.gz YNUBDCMRYPHAJI-CYBMUJFWSA-N -1 0 374.897 4.405 20 30 FIEDRM C[C@H](C#N)CSc1ccccc1NC(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC000609387843 1084535870 /nfs/dbraw/zinc/53/58/70/1084535870.db2.gz KAUZOPMDUIBWMC-ZBFHGGJFSA-N -1 0 368.458 4.135 20 30 FIEDRM N#Cc1ccccc1-c1ccc(CN=c2nc(C(F)(F)F)[n-]s2)cc1 ZINC000581420651 1084543418 /nfs/dbraw/zinc/54/34/18/1084543418.db2.gz LNVQQUWXIXVGRT-UHFFFAOYSA-N -1 0 360.364 4.130 20 30 FIEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)s1)C12CC3CC(CC(C3)C1)C2 ZINC000046928687 1084981059 /nfs/dbraw/zinc/98/10/59/1084981059.db2.gz JJSAUKGPRIYQFW-UHFFFAOYSA-N -1 0 359.900 4.263 20 30 FIEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\C[C@@H](O)c2ccc3ccccc3c2)c1[O-] ZINC000255901247 1085040226 /nfs/dbraw/zinc/04/02/26/1085040226.db2.gz FNZGSKYNNMACSC-BYSCUOHCSA-N -1 0 370.792 4.260 20 30 FIEDRM N#CC(=C([O-])C=Cc1ccc2c(c1)OCO2)c1nc(-c2ccccc2)cs1 ZINC000255904387 1085044993 /nfs/dbraw/zinc/04/49/93/1085044993.db2.gz VSWKRHYNFPXYQR-QKIRZYONSA-N -1 0 374.421 4.428 20 30 FIEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C/c1cc(Br)c(Cl)s1 ZINC000478926494 1085053270 /nfs/dbraw/zinc/05/32/70/1085053270.db2.gz WAWXUOARJTXOGY-DUXPYHPUSA-N -1 0 369.627 4.299 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)Cc1cccc(OC(C)C)c1 ZINC000124751741 1085181202 /nfs/dbraw/zinc/18/12/02/1085181202.db2.gz QJPCPMBUVHMJSY-IBGZPJMESA-N -1 0 374.440 4.398 20 30 FIEDRM C=CCOc1ccc(Br)cc1NC(=O)c1ccc(O)cc1F ZINC001299166036 1087101512 /nfs/dbraw/zinc/10/15/12/1087101512.db2.gz FIUNNTJOSXEJQH-UHFFFAOYSA-N -1 0 366.186 4.111 20 30 FIEDRM CCCCC1CCC(CNC(=O)c2cc(C#N)c(SC)[n-]c2=O)CC1 ZINC000065675812 1087383760 /nfs/dbraw/zinc/38/37/60/1087383760.db2.gz JFGAOERRXGEYLR-UHFFFAOYSA-N -1 0 361.511 4.107 20 30 FIEDRM N#CCCn1cc(/C=C\C(=O)c2ccc([O-])c(F)c2)c(-c2ccccc2)n1 ZINC000588610475 1087464601 /nfs/dbraw/zinc/46/46/01/1087464601.db2.gz OQLDIKMQGTZVBW-HJWRWDBZSA-N -1 0 361.376 4.205 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc(C3CC3)cs2)cnn1-c1cccc(C)c1 ZINC000647376381 1087798197 /nfs/dbraw/zinc/79/81/97/1087798197.db2.gz ROUBXSCXGNBEAC-MRXNPFEDSA-N -1 0 362.458 4.313 20 30 FIEDRM CON=Cc1ccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cc1 ZINC000255919781 1088035796 /nfs/dbraw/zinc/03/57/96/1088035796.db2.gz UKKARFGIIATCJF-QGZVFWFLSA-N -1 0 361.426 4.280 20 30 FIEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000180739034 1088054697 /nfs/dbraw/zinc/05/46/97/1088054697.db2.gz UCIJZTPYLOLJPM-KRWDZBQOSA-N -1 0 372.877 4.338 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1[O-] ZINC000190036562 1088887277 /nfs/dbraw/zinc/88/72/77/1088887277.db2.gz FDHIWNTYBUARKD-UHFFFAOYSA-N -1 0 354.369 4.059 20 30 FIEDRM Cc1onc(-c2ccc(Cl)cc2Cl)c1C([O-])=C(C#N)c1ccncn1 ZINC000435767769 1089926142 /nfs/dbraw/zinc/92/61/42/1089926142.db2.gz KPVGECLGHJBRDE-LBPRGKRZSA-N -1 0 373.199 4.237 20 30 FIEDRM C=CCOc1cccc(NC(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)c1 ZINC000515281924 1089934694 /nfs/dbraw/zinc/93/46/94/1089934694.db2.gz WURFMZVEEFYFOJ-OALUTQOASA-N -1 0 366.417 4.074 20 30 FIEDRM CC(=O)Nc1ccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cc1 ZINC000041535997 1090238943 /nfs/dbraw/zinc/23/89/43/1090238943.db2.gz KNXZORYAWISFTB-QGZVFWFLSA-N -1 0 361.426 4.259 20 30 FIEDRM N#CC(=C([O-])c1cc(-c2ccccc2Cl)[nH]n1)c1nc2ccccc2o1 ZINC000041537778 1090239631 /nfs/dbraw/zinc/23/96/31/1090239631.db2.gz XQCHVMSOLGEIMR-LBPRGKRZSA-N -1 0 362.776 4.361 20 30 FIEDRM Cc1nn(-c2ccc(F)cc2)c(C)c1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000041544144 1090240422 /nfs/dbraw/zinc/24/04/22/1090240422.db2.gz HDLPCLBODSVUSG-INIZCTEOSA-N -1 0 374.375 4.260 20 30 FIEDRM C[C@H](Cc1ccc(NCc2cccc(OCCCC#N)c2)cc1)C(=O)[O-] ZINC000417614396 1090943733 /nfs/dbraw/zinc/94/37/33/1090943733.db2.gz VMTNUBDRSRLDSB-MRXNPFEDSA-N -1 0 352.434 4.244 20 30 FIEDRM Cc1ccc(Br)cc1-c1noc(CCC(=O)C2=CC=C[CH]2)n1 ZINC001204643373 1091257077 /nfs/dbraw/zinc/25/70/77/1091257077.db2.gz LYDSXJAGMHOVKF-UHFFFAOYSA-N -1 0 358.215 4.010 20 30 FIEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)sc1Cl ZINC000473409495 1092830715 /nfs/dbraw/zinc/83/07/15/1092830715.db2.gz QIPLRMVGKUHJJS-UHFFFAOYSA-N -1 0 354.884 4.312 20 30 FIEDRM Cc1csc(Nc2ccc(NC(=O)c3ccc(C#N)c([O-])c3)cc2)n1 ZINC000442969894 1092898700 /nfs/dbraw/zinc/89/87/00/1092898700.db2.gz SKCHEDRNHOLHTJ-UHFFFAOYSA-N -1 0 350.403 4.025 20 30 FIEDRM CCCCn1ccnc1-c1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000443077399 1092936174 /nfs/dbraw/zinc/93/61/74/1092936174.db2.gz UPKVQBBWHQEJJP-UHFFFAOYSA-N -1 0 360.417 4.180 20 30 FIEDRM C=CCCc1ccccc1[N-]S(=O)(=O)c1sccc1Br ZINC000443425725 1093121243 /nfs/dbraw/zinc/12/12/43/1093121243.db2.gz YZRKNDPFUXZISE-UHFFFAOYSA-N -1 0 372.309 4.430 20 30 FIEDRM CC(C)(C)c1nc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cs1 ZINC000522274148 1093261213 /nfs/dbraw/zinc/26/12/13/1093261213.db2.gz KJXOXJNHWXRIDG-LBPRGKRZSA-N -1 0 368.487 4.449 20 30 FIEDRM COc1ccccc1-c1nc(C([O-])=C(C#N)c2nc(C)cs2)cs1 ZINC000126211637 1093284494 /nfs/dbraw/zinc/28/44/94/1093284494.db2.gz GUICTQXXDMWDDM-GFCCVEGCSA-N -1 0 355.444 4.074 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3c(C)nsc3C)n2)cc1 ZINC000429681142 1093300593 /nfs/dbraw/zinc/30/05/93/1093300593.db2.gz BFJBZTMSQBSVQF-CQSZACIVSA-N -1 0 369.471 4.382 20 30 FIEDRM Cc1cc(OC(F)F)c(C([O-])=C(C#N)c2nc3ccccc3n2C)s1 ZINC000513019039 1093667087 /nfs/dbraw/zinc/66/70/87/1093667087.db2.gz XUMXHTNSNIJXAA-SNVBAGLBSA-N -1 0 361.373 4.035 20 30 FIEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474431227 1093777633 /nfs/dbraw/zinc/77/76/33/1093777633.db2.gz GVBWQNDLOPJJBN-KRWDZBQOSA-N -1 0 362.788 4.098 20 30 FIEDRM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)c2cccnc2c1C ZINC000437305878 1093885638 /nfs/dbraw/zinc/88/56/38/1093885638.db2.gz NAMIDKAPTDJPEP-UHFFFAOYSA-N -1 0 371.849 4.178 20 30 FIEDRM COc1ccc2oc(C(=O)/C=C\c3ccc([O-])c([N+](=O)[O-])c3)c(C)c2c1 ZINC000729150258 1093934878 /nfs/dbraw/zinc/93/48/78/1093934878.db2.gz JIRYYRLEEIDVOQ-DAXSKMNVSA-N -1 0 353.330 4.260 20 30 FIEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1ccc3c(c1)CC(C)(C)O3)CC2 ZINC000729151646 1093935750 /nfs/dbraw/zinc/93/57/50/1093935750.db2.gz ZHSAIZGJRGAWAR-MDWZMJQESA-N -1 0 352.386 4.212 20 30 FIEDRM COc1cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cc(C)n1 ZINC000501331915 1094640356 /nfs/dbraw/zinc/64/03/56/1094640356.db2.gz WFRTVEUXGXSNJP-LBPRGKRZSA-N -1 0 357.822 4.152 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cc(-c3ccco3)nn2-c2ccccc2)n1 ZINC000041517445 1094641953 /nfs/dbraw/zinc/64/19/53/1094641953.db2.gz YQACIMPELCPIQW-HNNXBMFYSA-N -1 0 374.425 4.387 20 30 FIEDRM CS(=O)(=O)Nc1ccccc1NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000329038473 1094719651 /nfs/dbraw/zinc/71/96/51/1094719651.db2.gz ZNERUJQCMQQYMB-RRFJBIMHSA-N -1 0 350.484 4.253 20 30 FIEDRM O=C(N=c1cn[n-]s1)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000330240618 1095430905 /nfs/dbraw/zinc/43/09/05/1095430905.db2.gz FJGXXXGNJYQEOK-GFCCVEGCSA-N -1 0 356.373 4.330 20 30 FIEDRM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cccc2c1OCC2 ZINC000421248954 1095482756 /nfs/dbraw/zinc/48/27/56/1095482756.db2.gz LLPYFWQDMVDXQY-UHFFFAOYSA-N -1 0 357.475 4.274 20 30 FIEDRM C[C@H]1CCc2c(C#N)c(NC(=O)CC3(C(=O)[O-])CCCCCC3)sc2C1 ZINC000016482003 1095782430 /nfs/dbraw/zinc/78/24/30/1095782430.db2.gz JMORETZRPNUDIH-ZDUSSCGKSA-N -1 0 374.506 4.498 20 30 FIEDRM CSc1nc(C2CC2)cc(C(=O)Nc2cccc(Cl)c2[O-])c1C#N ZINC000436800856 1099313384 /nfs/dbraw/zinc/31/33/84/1099313384.db2.gz OPUJLBSSJSSWCF-UHFFFAOYSA-N -1 0 359.838 4.164 20 30 FIEDRM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436936186 1099449580 /nfs/dbraw/zinc/44/95/80/1099449580.db2.gz YPWOEUJNLYIMJM-RHSMWYFYSA-N -1 0 358.800 4.097 20 30 FIEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1ccccc1Oc1cccc(F)c1 ZINC000516417719 1099467473 /nfs/dbraw/zinc/46/74/73/1099467473.db2.gz CXGXKAIWKCCURY-UHFFFAOYSA-N -1 0 368.389 4.290 20 30 FIEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000439619667 1101599811 /nfs/dbraw/zinc/59/98/11/1101599811.db2.gz HKZGBUICHKIDCS-UHFFFAOYSA-N -1 0 370.261 4.098 20 30 FIEDRM CCC(N=Nc1ncnc2sc3c(c21)CCC3)c1ccc(C(=O)[O-])cc1 ZINC000760227648 1101876439 /nfs/dbraw/zinc/87/64/39/1101876439.db2.gz ZTYWAEQYVNRDEL-UHFFFAOYSA-N -1 0 366.446 4.104 20 30 FIEDRM N#CC(=C([O-])c1c[nH]c(C(F)(F)F)c1)c1nc(-c2ccncc2)cs1 ZINC000429672064 1102302579 /nfs/dbraw/zinc/30/25/79/1102302579.db2.gz BYGBGHBIGYQYTF-NSHDSACASA-N -1 0 362.336 4.042 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2C(=O)c2cccs2)n1 ZINC000048787319 1102436503 /nfs/dbraw/zinc/43/65/03/1102436503.db2.gz KBEZBPNHZFIXKI-CQSZACIVSA-N -1 0 352.440 4.234 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cnn(-c3cc(C)ccc3C)c2C)n1 ZINC000121863632 1102464602 /nfs/dbraw/zinc/46/46/02/1102464602.db2.gz ANJUMGYQTWPVTM-HNNXBMFYSA-N -1 0 350.447 4.053 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cnn(-c3ccccc3Cl)c2C)n1 ZINC000112222379 1102819710 /nfs/dbraw/zinc/81/97/10/1102819710.db2.gz IYTAXLCWKWXHFJ-LBPRGKRZSA-N -1 0 356.838 4.089 20 30 FIEDRM O=C([O-])c1ccc(-c2ccc(C(=O)/C=C\c3cnn4ccccc34)cc2)o1 ZINC000729643877 1102854252 /nfs/dbraw/zinc/85/42/52/1102854252.db2.gz JLXFVTRGHDFLOZ-HJWRWDBZSA-N -1 0 358.353 4.189 20 30 FIEDRM CCOc1nc2cc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)ccc2[nH]1 ZINC000459343824 1102869692 /nfs/dbraw/zinc/86/96/92/1102869692.db2.gz GMTORWJCJLFZAX-LBPRGKRZSA-N -1 0 368.462 4.206 20 30 FIEDRM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c1 ZINC000461104884 1104102801 /nfs/dbraw/zinc/10/28/01/1104102801.db2.gz BLYSAEKWWIKKLJ-UHFFFAOYSA-N -1 0 363.382 4.133 20 30 FIEDRM N#Cc1ccc(/C=C\c2cccc(OCc3ccccc3C(=O)[O-])c2)nc1 ZINC000520249649 1104207060 /nfs/dbraw/zinc/20/70/60/1104207060.db2.gz CVWCPVCWQIRDDZ-NTMALXAHSA-N -1 0 356.381 4.401 20 30 FIEDRM N#Cc1cccc(-c2cc(C(=O)Nc3cc(Cl)c([O-])c(Cl)c3)on2)c1 ZINC000520332173 1104270974 /nfs/dbraw/zinc/27/09/74/1104270974.db2.gz CQDFNJBSCLBXKH-UHFFFAOYSA-N -1 0 374.183 4.478 20 30 FIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cc(C(C)C)n(C)n3)n2)cc1 ZINC000473930607 1104412326 /nfs/dbraw/zinc/41/23/26/1104412326.db2.gz ZFLMUPZPSBEDFY-OAHLLOKOSA-N -1 0 364.474 4.466 20 30 FIEDRM CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2c([O-])cc(Cl)cc2Cl)C1 ZINC000331241774 1104711789 /nfs/dbraw/zinc/71/17/89/1104711789.db2.gz QJOSOQHCSKIOMO-ZYHUDNBSSA-N -1 0 373.280 4.087 20 30 FIEDRM C=CCc1cc(CNc2ccccc2CCCC(=O)[O-])cc(OC)c1O ZINC000417628523 1105028746 /nfs/dbraw/zinc/02/87/46/1105028746.db2.gz UYXRTMRUYMBEDY-UHFFFAOYSA-N -1 0 355.434 4.149 20 30 FIEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/C[C@@H](O)c2ccc3ccccc3c2)c1[O-] ZINC000067427825 1105061886 /nfs/dbraw/zinc/06/18/86/1105061886.db2.gz FNZGSKYNNMACSC-VMHWHBCQSA-N -1 0 370.792 4.260 20 30 FIEDRM N#Cc1ccccc1Oc1ccc(NC(=O)NCCCCCC(=O)[O-])cc1 ZINC000417749620 1105152427 /nfs/dbraw/zinc/15/24/27/1105152427.db2.gz FMENIFCTKBXKSG-UHFFFAOYSA-N -1 0 367.405 4.117 20 30 FIEDRM O=C1Nc2ccc(Cl)cc2C1=N[N-]c1ncnc2c3ccccc3oc21 ZINC000019334734 1105200027 /nfs/dbraw/zinc/20/00/27/1105200027.db2.gz YTMKFUROEVGRAK-UHFFFAOYSA-N -1 0 363.764 4.447 20 30 FIEDRM Cc1nc(CC(C)C)oc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000530549474 1107132173 /nfs/dbraw/zinc/13/21/73/1107132173.db2.gz NWDIICZTLRTTKO-GFCCVEGCSA-N -1 0 351.328 4.085 20 30 FIEDRM O=S(=O)([N-]c1cccc(C#Cc2ccccn2)c1)c1cc2ccccc2o1 ZINC000530771499 1107310456 /nfs/dbraw/zinc/31/04/56/1107310456.db2.gz XVZQBNXFONCGLB-UHFFFAOYSA-N -1 0 374.421 4.028 20 30 FIEDRM N#CC(=C([O-])c1c[nH]nc1-c1ccsc1)c1nc2ccccc2s1 ZINC000444455352 1107911565 /nfs/dbraw/zinc/91/15/65/1107911565.db2.gz SJRLIMLZUHQPNR-LLVKDONJSA-N -1 0 350.428 4.238 20 30 FIEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(-c2ccc(F)cc2)s1 ZINC000127304644 1108523998 /nfs/dbraw/zinc/52/39/98/1108523998.db2.gz VDIHYRGYCDVFFR-INIZCTEOSA-N -1 0 370.449 4.326 20 30 FIEDRM C=C(C)COc1cccc(NS(=O)(=O)c2cc(C)c(OC)cc2C)c1 ZINC000524300834 1108957700 /nfs/dbraw/zinc/95/77/00/1108957700.db2.gz NLJQTHDHESLEGE-UHFFFAOYSA-N -1 0 361.463 4.068 20 30 FIEDRM Cc1ccc(-c2cc(=NC(=O)c3ccccc3-c3ccccc3C#N)[nH][n-]2)o1 ZINC000447802362 1109644426 /nfs/dbraw/zinc/64/44/26/1109644426.db2.gz JZTLMSSQNUUQMG-UHFFFAOYSA-N -1 0 368.396 4.191 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3conc3C(C)C)n2)cc1 ZINC000528934363 1110157021 /nfs/dbraw/zinc/15/70/21/1110157021.db2.gz NVPSJHQQRQVPIZ-CQSZACIVSA-N -1 0 367.430 4.420 20 30 FIEDRM CCOc1ncccc1C([O-])=C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000538768048 1111292242 /nfs/dbraw/zinc/29/22/42/1111292242.db2.gz OPHVFJDJJGVRDI-INIZCTEOSA-N -1 0 363.442 4.402 20 30 FIEDRM N#CC(=C([O-])c1ccn(Cc2ccccc2)n1)c1nc2ccccc2s1 ZINC000477834789 1111577381 /nfs/dbraw/zinc/57/73/81/1111577381.db2.gz DGIPFYXLXTYMKI-OAHLLOKOSA-N -1 0 358.426 4.031 20 30 FIEDRM CCN(c1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cn1)C(C)C ZINC000478632300 1111837932 /nfs/dbraw/zinc/83/79/32/1111837932.db2.gz QGBUYXQNJTUWFS-HNNXBMFYSA-N -1 0 356.495 4.386 20 30 FIEDRM Cc1ccc([C@@H](CC(=O)N[C@@H](CCCC#N)c2ccccc2)C(=O)[O-])cc1 ZINC000899785357 1112990835 /nfs/dbraw/zinc/99/08/35/1112990835.db2.gz GLCVRIYXHRSDOY-UXHICEINSA-N -1 0 364.445 4.105 20 30 FIEDRM COc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)cc([N+](=O)[O-])c1C ZINC000482549037 1113291296 /nfs/dbraw/zinc/29/12/96/1113291296.db2.gz BVJKSKWPDFLTNV-GFCCVEGCSA-N -1 0 367.386 4.012 20 30 FIEDRM N#CC(=C([O-])c1ncccc1OCC(F)(F)F)c1nccc2ccccc21 ZINC000483230482 1113472244 /nfs/dbraw/zinc/47/22/44/1113472244.db2.gz HEJCMTITMDZIOO-CQSZACIVSA-N -1 0 371.318 4.061 20 30 FIEDRM Cn1cc(C([O-])=C(C#N)c2nccc3ccccc32)c(-c2cccs2)n1 ZINC000483231421 1113472480 /nfs/dbraw/zinc/47/24/80/1113472480.db2.gz HEXYKXPEEKGCAQ-HNNXBMFYSA-N -1 0 358.426 4.187 20 30 FIEDRM CSc1cccc(C([O-])=C(C#N)c2nc3ccccc3s2)c1[N+](=O)[O-] ZINC000486989596 1113691292 /nfs/dbraw/zinc/69/12/92/1113691292.db2.gz MTRXELVRDYJBEW-NSHDSACASA-N -1 0 369.427 4.416 20 30 FIEDRM Cc1cnc2c(cccc2S(=O)(=O)[N-]C(=O)C[C@@H](C)c2ccccc2)c1 ZINC000045099009 1114560242 /nfs/dbraw/zinc/56/02/42/1114560242.db2.gz KTZGBRWDFXOMQO-OAHLLOKOSA-N -1 0 368.458 4.382 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2cnn(-c3ccccc3F)c2)n1 ZINC000080450288 1114603247 /nfs/dbraw/zinc/60/32/47/1114603247.db2.gz QNWKCQKMZNYMHN-ZDUSSCGKSA-N -1 0 354.410 4.081 20 30 FIEDRM Cc1cc(Oc2ccccc2)ccc1[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000588843992 1114657064 /nfs/dbraw/zinc/65/70/64/1114657064.db2.gz MFWMBCHMLQOECV-UHFFFAOYSA-N -1 0 354.387 4.053 20 30 FIEDRM COc1ccc(C2(C(=O)[N-]S(=O)(=O)C3CCCCC3)CCCC2)cc1 ZINC000057748636 1114995005 /nfs/dbraw/zinc/99/50/05/1114995005.db2.gz IUAFAWAUTVNNEX-UHFFFAOYSA-N -1 0 365.495 4.126 20 30 FIEDRM Cc1cccc2c1ncc(C#N)c2N1CCC(c2ccccc2C(=O)[O-])CC1 ZINC000591327065 1115056438 /nfs/dbraw/zinc/05/64/38/1115056438.db2.gz HHBNVPCFBBPHTH-UHFFFAOYSA-N -1 0 371.440 4.497 20 30 FIEDRM CC(=O)Nc1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)ccc1C ZINC000573992016 1115228675 /nfs/dbraw/zinc/22/86/75/1115228675.db2.gz XGZROLRHIQBHRZ-AWEZNQCLSA-N -1 0 355.463 4.198 20 30 FIEDRM CC(=O)Nc1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)ccc1F ZINC000592974453 1115272819 /nfs/dbraw/zinc/27/28/19/1115272819.db2.gz XPHHTZVCUKNXFT-LBPRGKRZSA-N -1 0 371.368 4.023 20 30 FIEDRM CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c(O)c1 ZINC000593213666 1115306992 /nfs/dbraw/zinc/30/69/92/1115306992.db2.gz SBGXZPGYZFNPOL-UHFFFAOYSA-N -1 0 372.490 4.292 20 30 FIEDRM C=CCCOc1ccccc1-c1ccc([S@](=O)CCCC(=O)[O-])cc1 ZINC000574340295 1115343384 /nfs/dbraw/zinc/34/33/84/1115343384.db2.gz YIHQPEIJIHDJLW-RUZDIDTESA-N -1 0 358.459 4.281 20 30 FIEDRM O=C([O-])CCOc1cccc(/C=C/C(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000060212506 1115598497 /nfs/dbraw/zinc/59/84/97/1115598497.db2.gz KOWMRNJSPOYTKK-BQYQJAHWSA-N -1 0 364.319 4.455 20 30 FIEDRM CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1ccsc1C#N ZINC000593210080 1115605623 /nfs/dbraw/zinc/60/56/23/1115605623.db2.gz FLMPQQRTAWPDTH-UHFFFAOYSA-N -1 0 364.492 4.126 20 30 FIEDRM C=CCOc1ccccc1C(=O)N=c1nc(-c2ccccc2Cl)[n-]s1 ZINC000599725738 1115839953 /nfs/dbraw/zinc/83/99/53/1115839953.db2.gz YLBVVHQQBOGZBB-UHFFFAOYSA-N -1 0 371.849 4.098 20 30 FIEDRM N#CC(=C([O-])c1cnc(-c2cccnc2)s1)c1nc2ccccc2s1 ZINC000534191212 1116170181 /nfs/dbraw/zinc/17/01/81/1116170181.db2.gz ASOAXGDPKPRBJI-GFCCVEGCSA-N -1 0 362.439 4.305 20 30 FIEDRM N#CC(=C([O-])c1cnc(-c2cccnc2)s1)c1nc2ccccc2s1 ZINC000534191213 1116170223 /nfs/dbraw/zinc/17/02/23/1116170223.db2.gz ASOAXGDPKPRBJI-LBPRGKRZSA-N -1 0 362.439 4.305 20 30 FIEDRM CC(C)CCSc1ccc(C([O-])=C(C#N)c2ccncn2)cc1[N+](=O)[O-] ZINC000546860332 1116206341 /nfs/dbraw/zinc/20/63/41/1116206341.db2.gz PIYDFZIKIDSPLP-CQSZACIVSA-N -1 0 370.434 4.013 20 30 FIEDRM Cn1cc(Nc2cccc(C([O-])=C(C#N)c3nc4ccccc4s3)c2)cn1 ZINC000534995177 1116260566 /nfs/dbraw/zinc/26/05/66/1116260566.db2.gz PGLJOHHCQAAVCT-MRXNPFEDSA-N -1 0 373.441 4.263 20 30 FIEDRM Cc1nc(NC(=O)c2ccc(C#N)c([O-])c2)sc1Cc1cccc(F)c1 ZINC000442727851 1116292337 /nfs/dbraw/zinc/29/23/37/1116292337.db2.gz HDMHSLALZJMIFP-UHFFFAOYSA-N -1 0 367.405 4.011 20 30 FIEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C#N)cc3)cc2)c(C)o1 ZINC000539550055 1116342536 /nfs/dbraw/zinc/34/25/36/1116342536.db2.gz RAIOERIKVQUHOC-UHFFFAOYSA-N -1 0 368.414 4.361 20 30 FIEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)CCc1ccccc1C(=O)[O-] ZINC000539675853 1116363031 /nfs/dbraw/zinc/36/30/31/1116363031.db2.gz QIENBZPNADLYCH-UHFFFAOYSA-N -1 0 363.866 4.247 20 30 FIEDRM C=CCOc1cccnc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000540380273 1118031067 /nfs/dbraw/zinc/03/10/67/1118031067.db2.gz NWULLWUYLMGSFK-GFCCVEGCSA-N -1 0 369.833 4.400 20 30 FIEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(-c2ccccc2)cc1 ZINC000463517007 1118200208 /nfs/dbraw/zinc/20/02/08/1118200208.db2.gz ITGOPWMPKPXEJI-UHFFFAOYSA-N -1 0 364.426 4.035 20 30 FIEDRM C=C(C)COc1cc(CN=c2[n-]nc(C3CCCCC3)o2)ccc1OC ZINC000540807908 1118257452 /nfs/dbraw/zinc/25/74/52/1118257452.db2.gz NSOCEVDSFDEJKX-UHFFFAOYSA-N -1 0 357.454 4.115 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc(OC3CCCC3)nc2)n1 ZINC000540998997 1118346057 /nfs/dbraw/zinc/34/60/57/1118346057.db2.gz ASGSJDVJBQDVFT-HNNXBMFYSA-N -1 0 355.463 4.473 20 30 FIEDRM N#Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)c1 ZINC000443448321 1118353719 /nfs/dbraw/zinc/35/37/19/1118353719.db2.gz ADOCXXPMIONLNM-UHFFFAOYSA-N -1 0 360.744 4.031 20 30 FIEDRM N#CC(=C([O-])c1cnc(-c2ccccn2)s1)c1cc(C(F)(F)F)ccn1 ZINC000464421216 1118558383 /nfs/dbraw/zinc/55/83/83/1118558383.db2.gz LCCIHXPUBJAWQL-NSHDSACASA-N -1 0 374.347 4.109 20 30 FIEDRM N#CC(=C([O-])c1csc(-c2ccoc2)n1)c1cc(C(F)(F)F)ccn1 ZINC000464421044 1118558908 /nfs/dbraw/zinc/55/89/08/1118558908.db2.gz PACRRODUNIEYAF-NSHDSACASA-N -1 0 363.320 4.307 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCc1ccc(F)cc1F ZINC000152075851 1119079040 /nfs/dbraw/zinc/07/90/40/1119079040.db2.gz JCTPOUBDPWSCNN-MRXNPFEDSA-N -1 0 366.367 4.279 20 30 FIEDRM O=C([O-])COc1cccc(C(=O)/C=C\c2ccc(C(F)(F)F)s2)c1 ZINC000761479595 1119169750 /nfs/dbraw/zinc/16/97/50/1119169750.db2.gz WJNRTLZJWBLSTF-XQRVVYSFSA-N -1 0 356.321 4.126 20 30 FIEDRM O=C([O-])COc1cccc(C(=O)/C=C/c2ccc(C(F)(F)F)s2)c1 ZINC000761479594 1119169879 /nfs/dbraw/zinc/16/98/79/1119169879.db2.gz WJNRTLZJWBLSTF-GQCTYLIASA-N -1 0 356.321 4.126 20 30 FIEDRM COc1csc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000177611492 1119339692 /nfs/dbraw/zinc/33/96/92/1119339692.db2.gz MVLJQEINRRBRGA-AWEZNQCLSA-N -1 0 365.439 4.242 20 30 FIEDRM COc1ccc(-c2nc(SCc3ccccc3F)[n-]c(=O)c2C#N)cc1 ZINC000031610632 1119515332 /nfs/dbraw/zinc/51/53/32/1119515332.db2.gz BNZBSFWCEKBSQZ-UHFFFAOYSA-N -1 0 367.405 4.161 20 30 FIEDRM Cc1ccc(C[C@H](C#N)Sc2n[n-]c(=Nc3ccccc3F)s2)cc1 ZINC000493980026 1119523192 /nfs/dbraw/zinc/52/31/92/1119523192.db2.gz PEMFPXVHKLOPKB-CQSZACIVSA-N -1 0 370.478 4.378 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc(N3CCC(C)CC3)nc2)n1 ZINC000183128650 1119566362 /nfs/dbraw/zinc/56/63/62/1119566362.db2.gz AJIHGFZNMJDPFV-INIZCTEOSA-N -1 0 368.506 4.388 20 30 FIEDRM CCc1c(C([O-])=C(C#N)c2nc(C)cs2)cnn1-c1ccc(Cl)cc1 ZINC000187467247 1119784573 /nfs/dbraw/zinc/78/45/73/1119784573.db2.gz JGINSEAEZJGDEO-AWEZNQCLSA-N -1 0 370.865 4.343 20 30 FIEDRM CCc1c(C([O-])=C(C#N)c2nc3ccccc3o2)cnn1-c1ccccc1C ZINC000187486099 1119785820 /nfs/dbraw/zinc/78/58/20/1119785820.db2.gz IPNDCWCMDGSCOF-OAHLLOKOSA-N -1 0 370.412 4.374 20 30 FIEDRM CCc1c(C([O-])=C(C#N)c2nc3ccccc3o2)cnn1Cc1ccccc1 ZINC000193620577 1120168534 /nfs/dbraw/zinc/16/85/34/1120168534.db2.gz SAGOISPPPRFBRQ-INIZCTEOSA-N -1 0 370.412 4.125 20 30 FIEDRM Cc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000194590366 1120284863 /nfs/dbraw/zinc/28/48/63/1120284863.db2.gz BNWBDUXOOCFHEC-CYBMUJFWSA-N -1 0 370.315 4.138 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2ccc(C(F)(F)F)nc2OC(C)C)n1 ZINC000495229102 1120547661 /nfs/dbraw/zinc/54/76/61/1120547661.db2.gz NEHYQWQPCYWMGR-NSHDSACASA-N -1 0 369.368 4.143 20 30 FIEDRM CC(C)(C)Oc1ccc(C([O-])=C(C#N)c2nc3ccccc3s2)nc1 ZINC000495285459 1120629561 /nfs/dbraw/zinc/62/95/61/1120629561.db2.gz QOTDEOJNQYBPRK-CYBMUJFWSA-N -1 0 351.431 4.359 20 30 FIEDRM CC(=Cc1cc(C(F)(F)F)ccc1Cl)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000193613745 1120982234 /nfs/dbraw/zinc/98/22/34/1120982234.db2.gz DCXHIISKQSWEPP-VMPITWQZSA-N -1 0 353.731 4.183 20 30 FIEDRM N#CCOc1ccccc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000193617679 1120987463 /nfs/dbraw/zinc/98/74/63/1120987463.db2.gz SETWKEKFXDUJHR-ZDUSSCGKSA-N -1 0 367.817 4.342 20 30 FIEDRM N#CC(=C([O-])c1cc2ccccc2[nH]c1=O)c1nc(-c2ccccc2)cs1 ZINC000193722132 1121023825 /nfs/dbraw/zinc/02/38/25/1121023825.db2.gz HKXWBZIIHPTXRM-INIZCTEOSA-N -1 0 371.421 4.142 20 30 FIEDRM COc1ccc(-c2nc(SC/C(Cl)=C/Cl)[n-]c(=O)c2C#N)cc1 ZINC000763172112 1121212840 /nfs/dbraw/zinc/21/28/40/1121212840.db2.gz VIVHTEYCOJCGRC-POHAHGRESA-N -1 0 368.245 4.141 20 30 FIEDRM COc1ccc2oc(/C=C(\C(=O)C(=O)[O-])c3ccc4ccccc4n3)cc2c1 ZINC000763284427 1121316655 /nfs/dbraw/zinc/31/66/55/1121316655.db2.gz VJYVZMUGIRZZPY-ATVHPVEESA-N -1 0 373.364 4.184 20 30 FIEDRM CC(N=Nc1ncc(C(F)(F)F)cc1Cl)c1ccc(CC(=O)[O-])cc1 ZINC000915939494 1121354999 /nfs/dbraw/zinc/35/49/99/1121354999.db2.gz MILWSUHBVUDINH-UHFFFAOYSA-N -1 0 371.746 4.217 20 30 FIEDRM CCCOc1ccc([C@@H](C)/N=C\c2cc([N+](=O)[O-])ccc2[O-])cc1OC ZINC000915981774 1121362222 /nfs/dbraw/zinc/36/22/22/1121362222.db2.gz GWIKFNLEJSJUJA-UAAGNOOKSA-N -1 0 358.394 4.278 20 30 FIEDRM CC(C)c1ccc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000915989788 1121369222 /nfs/dbraw/zinc/36/92/22/1121369222.db2.gz DQHFJJPBFDLCNM-UXBLZVDNSA-N -1 0 353.374 4.241 20 30 FIEDRM CC(C)(C)c1n[nH]cc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000496408447 1121434115 /nfs/dbraw/zinc/43/41/15/1121434115.db2.gz WSJMTRGSEDIAMN-JTQLQIEISA-N -1 0 358.854 4.460 20 30 FIEDRM [O-]c1c(Cl)cc(Cl)cc1C=NN1C(=S)N=NC1c1ccccc1 ZINC000916307371 1121469042 /nfs/dbraw/zinc/46/90/42/1121469042.db2.gz ARYAHMVYMDUUCV-UHFFFAOYSA-N -1 0 365.245 4.128 20 30 FIEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)c1cc2cc(Br)ccc2o1 ZINC000763369041 1121474676 /nfs/dbraw/zinc/47/46/76/1121474676.db2.gz STEUIUBZCSNLOY-UHFFFAOYSA-N -1 0 374.194 4.125 20 30 FIEDRM COc1ccc([C@H]2CCCCC2N=Nc2ccc(C(=O)[O-])cn2)cc1F ZINC000763372054 1121491924 /nfs/dbraw/zinc/49/19/24/1121491924.db2.gz POCRFXOYJLSRAI-CQSZACIVSA-N -1 0 357.385 4.053 20 30 FIEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000763377477 1121548339 /nfs/dbraw/zinc/54/83/39/1121548339.db2.gz PLYGSLIXZVJMOA-UHFFFAOYSA-N -1 0 357.719 4.288 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cn(CC(C)C)c2ccccc12 ZINC000916875370 1121905572 /nfs/dbraw/zinc/90/55/72/1121905572.db2.gz ZDLIXXUKKXTFAV-SFHVURJKSA-N -1 0 367.493 4.316 20 30 FIEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(Oc2ccc(F)cc2)cc1 ZINC000916877991 1121907315 /nfs/dbraw/zinc/90/73/15/1121907315.db2.gz ZQYZDQRPMZYPBL-LJQANCHMSA-N -1 0 368.408 4.247 20 30 FIEDRM CSCc1c2ccccc2oc1C([O-])=C(C#N)C(=O)NC1CCCCC1 ZINC000916893261 1121912484 /nfs/dbraw/zinc/91/24/84/1121912484.db2.gz XEKWOHQGRJGLIR-OAHLLOKOSA-N -1 0 370.474 4.067 20 30 FIEDRM CC(C)(C)[C@H]1CCc2sc(C([O-])=C(C#N)C(=O)NC3CCCC3)cc2C1 ZINC000917040998 1122012566 /nfs/dbraw/zinc/01/25/66/1122012566.db2.gz DOTBWQXSSWEDCB-HOCLYGCPSA-N -1 0 372.534 4.280 20 30 FIEDRM N#CC(=C([O-])c1ccnc(OCc2ccccc2)c1)c1nc2ccccc2o1 ZINC000066516466 1122070123 /nfs/dbraw/zinc/07/01/23/1122070123.db2.gz JOBBBYOFTUFPBW-QGZVFWFLSA-N -1 0 369.380 4.292 20 30 FIEDRM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000066814217 1122099313 /nfs/dbraw/zinc/09/93/13/1122099313.db2.gz KKXMIWIZFAHBMC-NSHDSACASA-N -1 0 368.430 4.160 20 30 FIEDRM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)c1 ZINC000066814093 1122099397 /nfs/dbraw/zinc/09/93/97/1122099397.db2.gz RBYRTUUMNXFZOJ-CYBMUJFWSA-N -1 0 364.467 4.329 20 30 FIEDRM Cc1ccc(Cc2nc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)cs2)cc1 ZINC000130915440 1122952583 /nfs/dbraw/zinc/95/25/83/1122952583.db2.gz DWOJTIKFKCJTNC-HNNXBMFYSA-N -1 0 372.453 4.409 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)Cc1cc2ccccc2o1 ZINC000920104218 1123351271 /nfs/dbraw/zinc/35/12/71/1123351271.db2.gz LZODZQDVORSCGN-QGZVFWFLSA-N -1 0 356.381 4.357 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000920105333 1123352133 /nfs/dbraw/zinc/35/21/33/1123352133.db2.gz BQKTXXLKKNMPTG-OKZBNKHCSA-N -1 0 360.388 4.311 20 30 FIEDRM C[C@@H](Cc1cccc(Br)c1)/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000920479519 1123466868 /nfs/dbraw/zinc/46/68/68/1123466868.db2.gz PILXZUWJLNUPRS-HPAYWCODSA-N -1 0 363.211 4.113 20 30 FIEDRM Cc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)c1nc2cc(F)ccc2s1 ZINC000609321878 1123534323 /nfs/dbraw/zinc/53/43/23/1123534323.db2.gz OYBTXBKQNATTFX-ZDUSSCGKSA-N -1 0 355.350 4.142 20 30 FIEDRM COc1ccc(C(=O)/C=C\c2cccc(OC(C)C)c2)cc1CC(=O)[O-] ZINC000921265677 1123607056 /nfs/dbraw/zinc/60/70/56/1123607056.db2.gz PFGUTCWKSJLVHB-CLFYSBASSA-N -1 0 354.402 4.006 20 30 FIEDRM Cc1csc([C@@H](C#N)C(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)n1 ZINC000076763402 1123628392 /nfs/dbraw/zinc/62/83/92/1123628392.db2.gz WZUGQOSOVPKMAW-ZDUSSCGKSA-N -1 0 359.426 4.065 20 30 FIEDRM N#C[C@H](Sc1n[n-]c(=NCc2ccc(F)cc2)s1)C1CCCCC1 ZINC000609648964 1123781392 /nfs/dbraw/zinc/78/13/92/1123781392.db2.gz LPGYTLAZMWNNFD-HNNXBMFYSA-N -1 0 362.499 4.276 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cc(C)nc(-c3ccc(Cl)cc3)n2)n1 ZINC000136094619 1123837765 /nfs/dbraw/zinc/83/77/65/1123837765.db2.gz YPEVWWAZABEZSN-AWEZNQCLSA-N -1 0 368.849 4.360 20 30 FIEDRM N#CC(=C([O-])c1cccc(C#N)c1)c1nc(-c2c(F)cccc2F)cs1 ZINC000064714469 1123927534 /nfs/dbraw/zinc/92/75/34/1123927534.db2.gz NHMIVIRSQWMNDZ-ZDUSSCGKSA-N -1 0 365.364 4.450 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cc(C)n(-c3cc(C)cc(C)c3)n2)n1 ZINC000179829398 1124112171 /nfs/dbraw/zinc/11/21/71/1124112171.db2.gz PJJCOQYCABTASB-INIZCTEOSA-N -1 0 350.447 4.053 20 30 FIEDRM Cc1ccccc1OCCCC(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000069601311 1125014672 /nfs/dbraw/zinc/01/46/72/1125014672.db2.gz XPMLKETZSPYSDU-UHFFFAOYSA-N -1 0 367.854 4.153 20 30 FIEDRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)Cc2c[nH]c3ccccc23)c1C ZINC000069603699 1125014740 /nfs/dbraw/zinc/01/47/40/1125014740.db2.gz IFLSHTZDKUNKGS-UHFFFAOYSA-N -1 0 370.474 4.289 20 30 FIEDRM C=CCN(CC1CCCCC1)C(=O)N=c1[n-]nc(Cc2ccccc2)s1 ZINC000601842759 567857978 /nfs/dbraw/zinc/85/79/78/567857978.db2.gz HVJJDBXHXGCBBA-UHFFFAOYSA-N -1 0 370.522 4.151 20 30 FIEDRM Cc1ccccc1-n1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)cn1 ZINC000601931484 567879245 /nfs/dbraw/zinc/87/92/45/567879245.db2.gz UBKGCPKZMAXUSA-GOSISDBHSA-N -1 0 352.397 4.219 20 30 FIEDRM C[C@@](CC(=O)[O-])(C(=O)N[C@@H](CCCC#N)c1ccccc1)c1ccsc1 ZINC000601995134 567898925 /nfs/dbraw/zinc/89/89/25/567898925.db2.gz SKFPHJKCPHIKFW-PXNSSMCTSA-N -1 0 370.474 4.032 20 30 FIEDRM N#CC(=C([O-])c1cc(C2CC2)[nH]n1)c1nc(-c2c(F)cccc2F)cs1 ZINC000068349440 568089254 /nfs/dbraw/zinc/08/92/54/568089254.db2.gz USNRXTPKMJUVBQ-JTQLQIEISA-N -1 0 370.384 4.179 20 30 FIEDRM N#CC(=C([O-])c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc2ccccc2n1 ZINC000603835668 568159317 /nfs/dbraw/zinc/15/93/17/568159317.db2.gz FWUNSSBAPYMZLJ-OAHLLOKOSA-N -1 0 357.325 4.379 20 30 FIEDRM Cc1cccc(N=c2[n-]nc(S[C@@H](C#N)Cc3ccccc3)s2)c1 ZINC000604016188 568199152 /nfs/dbraw/zinc/19/91/52/568199152.db2.gz JINLPNUFIIBSML-MRXNPFEDSA-N -1 0 352.488 4.239 20 30 FIEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1occc1-c1ccc(F)cc1 ZINC000152008405 568303196 /nfs/dbraw/zinc/30/31/96/568303196.db2.gz SXCQLUMRVBGXHW-INIZCTEOSA-N -1 0 359.360 4.462 20 30 FIEDRM O=C([O-])CCCOc1ccc(C(=O)/C=C\c2ccc(O)c(Cl)c2)cc1 ZINC000214128756 1125555421 /nfs/dbraw/zinc/55/54/21/1125555421.db2.gz JCCNWGCZMJCQAZ-OQFOIZHKSA-N -1 0 360.793 4.185 20 30 FIEDRM Cc1cc([O-])cc2c1C(=O)C(=NNCc1ccc(-c3ccccc3)cc1)O2 ZINC000748085539 1080221594 /nfs/dbraw/zinc/22/15/94/1080221594.db2.gz HDGKUVAIQMLXTO-UHFFFAOYSA-N -1 0 358.397 4.046 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCn1ccc2ccccc21 ZINC000121020184 1081198495 /nfs/dbraw/zinc/19/84/95/1081198495.db2.gz RHSCRUNFAMGSMM-SFHVURJKSA-N -1 0 369.424 4.413 20 30 FIEDRM CCCOc1ccc(-c2cc(C#N)cc(OCC)c2OCC(=O)[O-])c(F)c1 ZINC000579979322 1081347563 /nfs/dbraw/zinc/34/75/63/1081347563.db2.gz UZLQASHZIWLJIH-UHFFFAOYSA-N -1 0 373.380 4.015 20 30 FIEDRM C[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000076765814 1081383392 /nfs/dbraw/zinc/38/33/92/1081383392.db2.gz DNGSNPFAOPGMKO-UWVGGRQHSA-N -1 0 350.267 4.465 20 30 FIEDRM N#CC(=C([O-])c1cnc(-c2ccco2)s1)c1ccc(C(F)(F)F)cn1 ZINC000510309434 1081433461 /nfs/dbraw/zinc/43/34/61/1081433461.db2.gz GBRQFMIQOIRYDU-JTQLQIEISA-N -1 0 363.320 4.307 20 30 FIEDRM O=C1/C(=C\c2cccc([N+](=O)[O-])c2)CC/C1=C/c1ccc([N+](=O)[O-])c([O-])c1 ZINC000748145899 1081569630 /nfs/dbraw/zinc/56/96/30/1081569630.db2.gz CXOFGTYLEBYFCH-SFGFDRCGSA-N -1 0 366.329 4.039 20 30 FIEDRM O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(OCC(F)(F)F)cc1 ZINC000748145855 1081569703 /nfs/dbraw/zinc/56/97/03/1081569703.db2.gz BAJYSCKJQDIJJJ-KRXBUXKQSA-N -1 0 367.279 4.138 20 30 FIEDRM O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000748146591 1081573454 /nfs/dbraw/zinc/57/34/54/1081573454.db2.gz KRZGZVBQXIDNOT-WEVVVXLNSA-N -1 0 370.380 4.326 20 30 FIEDRM Cc1nc(-c2ccc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)cc2)n[nH]1 ZINC000581347053 1082482658 /nfs/dbraw/zinc/48/26/58/1082482658.db2.gz ZCHFXRRLUJSOBJ-CQSZACIVSA-N -1 0 365.462 4.024 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2occc2Br)s1 ZINC000430594935 1082544089 /nfs/dbraw/zinc/54/40/89/1082544089.db2.gz SPPCFTSGSZITJS-QMMMGPOBSA-N -1 0 353.241 4.286 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(C(F)(F)F)nc2)s1 ZINC000430596989 1082553229 /nfs/dbraw/zinc/55/32/29/1082553229.db2.gz KPPILIFKRUZANP-JTQLQIEISA-N -1 0 353.369 4.344 20 30 FIEDRM CCc1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cc1[N+](=O)[O-] ZINC000430613405 1082678749 /nfs/dbraw/zinc/67/87/49/1082678749.db2.gz WLMBHOYZQJYPOJ-CYBMUJFWSA-N -1 0 357.435 4.401 20 30 FIEDRM CCc1c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cnn1CC(C)C ZINC000430620360 1082727597 /nfs/dbraw/zinc/72/75/97/1082727597.db2.gz HOTZCWAFNSJZKH-CYBMUJFWSA-N -1 0 358.511 4.346 20 30 FIEDRM N#CC(=C([O-])C=Cc1ccnc(Cl)c1)c1nc(-c2ccncc2)cs1 ZINC000255338672 1082756453 /nfs/dbraw/zinc/75/64/53/1082756453.db2.gz WHHVQIKWSVOGOH-DDGIKZQJSA-N -1 0 366.833 4.143 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ncccc2C(F)(F)F)s1 ZINC000430630190 1082769612 /nfs/dbraw/zinc/76/96/12/1082769612.db2.gz RHHCJMWMDHIXQF-VIFPVBQESA-N -1 0 353.369 4.344 20 30 FIEDRM COc1cc(C(=O)[O-])ccc1NN=C(C)c1cc(Br)cs1 ZINC000782256264 1082784932 /nfs/dbraw/zinc/78/49/32/1082784932.db2.gz ZIDXRIZMRQQWIC-UHFFFAOYSA-N -1 0 369.240 4.054 20 30 FIEDRM N#CC(=C([O-])c1cnc(-c2cccnc2)s1)c1cc(C(F)(F)F)ccn1 ZINC000581700651 1082824236 /nfs/dbraw/zinc/82/42/36/1082824236.db2.gz QPDFSIVZFJPATI-LBPRGKRZSA-N -1 0 374.347 4.109 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(C(F)(F)F)cn2)s1 ZINC000430645687 1082832027 /nfs/dbraw/zinc/83/20/27/1082832027.db2.gz OCOUNQARDPIUBG-SNVBAGLBSA-N -1 0 353.369 4.344 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(C(F)(F)F)cn2)s1 ZINC000430645684 1082832193 /nfs/dbraw/zinc/83/21/93/1082832193.db2.gz OCOUNQARDPIUBG-JTQLQIEISA-N -1 0 353.369 4.344 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1occc1Br ZINC000176083424 1083262779 /nfs/dbraw/zinc/26/27/79/1083262779.db2.gz WTCXOWIXYUROTQ-LLVKDONJSA-N -1 0 371.190 4.037 20 30 FIEDRM N#CC(=C([O-])c1csc(N2CCCCC2)n1)c1ccc2ccccc2n1 ZINC000892427622 1083364838 /nfs/dbraw/zinc/36/48/38/1083364838.db2.gz PBNYCVIZSRCTHE-OAHLLOKOSA-N -1 0 362.458 4.172 20 30 FIEDRM N#CC(=C([O-])c1sccc1Br)c1nc(C2CC2)cs1 ZINC000647375932 1083366653 /nfs/dbraw/zinc/36/66/53/1083366653.db2.gz JIRGOWNUPSIXRQ-QMMMGPOBSA-N -1 0 353.266 4.335 20 30 FIEDRM Cc1cn(-c2ccc(F)cc2)nc1C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000647379868 1083377219 /nfs/dbraw/zinc/37/72/19/1083377219.db2.gz UAQDZGLAHSHKNS-OAHLLOKOSA-N -1 0 366.421 4.144 20 30 FIEDRM Cc1ccc(-c2ccc(C([O-])=C(C#N)c3nc(C4CC4)cs3)cc2)nn1 ZINC000647380333 1083378249 /nfs/dbraw/zinc/37/82/49/1083378249.db2.gz DFLMQSGMRBDHAD-MRXNPFEDSA-N -1 0 360.442 4.276 20 30 FIEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(Sc3ccccc3)cc2)C(=O)O1 ZINC000255696301 1083422118 /nfs/dbraw/zinc/42/21/18/1083422118.db2.gz SKQWKWDMLZSRGU-DBBZSVRUSA-N -1 0 364.422 4.066 20 30 FIEDRM O=C1OCCN1c1ccc(N=Cc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000255754126 1083468731 /nfs/dbraw/zinc/46/87/31/1083468731.db2.gz HTPYMNGOSPYOJQ-UHFFFAOYSA-N -1 0 351.189 4.406 20 30 FIEDRM N#Cc1ccc([O-])c(NC(=O)c2occc2CSc2ccccc2)c1 ZINC000179734158 1083612249 /nfs/dbraw/zinc/61/22/49/1083612249.db2.gz UTUHVBZHTLBWEL-UHFFFAOYSA-N -1 0 350.399 4.401 20 30 FIEDRM N#CCn1c(C(=O)Nc2cc(Cl)cc(Cl)c2[O-])cc2ccccc21 ZINC000612774560 1084063382 /nfs/dbraw/zinc/06/33/82/1084063382.db2.gz XTEWMJPVHKSTFJ-UHFFFAOYSA-N -1 0 360.200 4.430 20 30 FIEDRM C[C@](CC(=O)[O-])(C(=O)Nc1ccc(CC#N)cc1Cl)C1CCCCC1 ZINC000414083028 1084475294 /nfs/dbraw/zinc/47/52/94/1084475294.db2.gz CTGFPXSYLQFUDS-LJQANCHMSA-N -1 0 362.857 4.406 20 30 FIEDRM Cc1cc(C(C#N)=C([O-])c2csc(-c3ccc(Cl)s3)n2)nc(C)n1 ZINC000066506425 1084572501 /nfs/dbraw/zinc/57/25/01/1084572501.db2.gz NVPPGZKLSYQZGK-JTQLQIEISA-N -1 0 374.878 4.422 20 30 FIEDRM O=C([O-])CCOc1ccc(/C=C/C(=O)c2c[nH]c3cc(F)ccc32)cc1 ZINC000072059105 1084637417 /nfs/dbraw/zinc/63/74/17/1084637417.db2.gz IVOTXPLTZJDKNR-FPYGCLRLSA-N -1 0 353.349 4.057 20 30 FIEDRM CC(C)n1cc(Br)cc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000174014128 1084720585 /nfs/dbraw/zinc/72/05/85/1084720585.db2.gz DQKSYXDPUMOEIA-LBPRGKRZSA-N -1 0 372.222 4.463 20 30 FIEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000048472373 1085000671 /nfs/dbraw/zinc/00/06/71/1085000671.db2.gz UQOOKWBCIOCQIT-QWHCGFSZSA-N -1 0 363.401 4.317 20 30 FIEDRM COc1ccc2nc(C([O-])=C(C#N)c3nc4ccccc4s3)ccc2c1 ZINC000093243447 1085496141 /nfs/dbraw/zinc/49/61/41/1085496141.db2.gz FIHZNDKRGLWSPX-CQSZACIVSA-N -1 0 359.410 4.343 20 30 FIEDRM Cc1cc(C(C#N)=C([O-])c2cnc(-c3ccccc3Cl)s2)nc(C)n1 ZINC000051898174 1085701331 /nfs/dbraw/zinc/70/13/31/1085701331.db2.gz SLYLIXGGDGCINP-CYBMUJFWSA-N -1 0 368.849 4.360 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3s2)oc2c1C(=O)CCC2 ZINC000048824579 1085707677 /nfs/dbraw/zinc/70/76/77/1085707677.db2.gz SGMYKGYQYCWVMG-LLVKDONJSA-N -1 0 350.399 4.207 20 30 FIEDRM O=C([O-])c1cccc(/C=C\C(=O)c2ccc(N3CCCC3=O)cc2)c1Cl ZINC000588558369 1085936274 /nfs/dbraw/zinc/93/62/74/1085936274.db2.gz UMJMDBFEJUKRNJ-FLIBITNWSA-N -1 0 369.804 4.061 20 30 FIEDRM O=C([O-])c1cccc(/C=C\C(=O)c2ncc(Br)s2)c1Cl ZINC000588559554 1085940651 /nfs/dbraw/zinc/94/06/51/1085940651.db2.gz RVUKFLSBGVUJBB-PLNGDYQASA-N -1 0 372.627 4.153 20 30 FIEDRM Cc1cccc(OCCC(=O)[N-]S(=O)(=O)[C@@H](C)c2ccccc2)c1C ZINC000077881906 1086722458 /nfs/dbraw/zinc/72/24/58/1086722458.db2.gz CSYKDTHMKCVDEG-INIZCTEOSA-N -1 0 361.463 4.120 20 30 FIEDRM CCCCCc1n[n-]c(=NC(=O)c2sc3ccc(C#N)cc3c2C)s1 ZINC000432424954 1086751720 /nfs/dbraw/zinc/75/17/20/1086751720.db2.gz KPHXGRBETSGRJB-UHFFFAOYSA-N -1 0 370.503 4.340 20 30 FIEDRM Cn1c(C(C#N)=C([O-])c2sccc2SC(F)F)nc2ccccc21 ZINC000107407969 1086799045 /nfs/dbraw/zinc/79/90/45/1086799045.db2.gz IEWYOPZEVRZMFF-SECBINFHSA-N -1 0 363.414 4.440 20 30 FIEDRM COc1c(Br)ccc(Nc2ccc(C)c(C(=O)[O-])c2)c1C#N ZINC001211608391 1087136573 /nfs/dbraw/zinc/13/65/73/1087136573.db2.gz UIJQFQZLZWGGNE-UHFFFAOYSA-N -1 0 361.195 4.080 20 30 FIEDRM O=C([O-])COc1ccc(/C=C\C(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000755704089 1087695454 /nfs/dbraw/zinc/69/54/54/1087695454.db2.gz HRIZWGNOSALGQX-UTCJRWHESA-N -1 0 351.185 4.353 20 30 FIEDRM N#Cc1cnccc1/C=C\c1cccc(OCc2ccccc2C(=O)[O-])c1 ZINC000504710634 1087792117 /nfs/dbraw/zinc/79/21/17/1087792117.db2.gz DIQXFRPFKPISAC-HJWRWDBZSA-N -1 0 356.381 4.401 20 30 FIEDRM COc1cccc(C([O-])=C(C#N)c2nc3ccccc3o2)c1OC(C)C ZINC000659056699 1087982896 /nfs/dbraw/zinc/98/28/96/1087982896.db2.gz RITRNXCPQINSFM-AWEZNQCLSA-N -1 0 350.374 4.114 20 30 FIEDRM Cc1c(Br)cncc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000659114862 1088113727 /nfs/dbraw/zinc/11/37/27/1088113727.db2.gz QSWVPFUTEFCNHI-SNVBAGLBSA-N -1 0 364.268 4.223 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cnn3cccc(Cl)c23)s1 ZINC000659114792 1088114718 /nfs/dbraw/zinc/11/47/18/1088114718.db2.gz GZYRTEMYOOYVTE-SNVBAGLBSA-N -1 0 358.854 4.232 20 30 FIEDRM N#Cc1c[nH]c(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c1 ZINC000179934959 1088761484 /nfs/dbraw/zinc/76/14/84/1088761484.db2.gz DIBKEVOLRNBJJZ-UHFFFAOYSA-N -1 0 360.398 4.121 20 30 FIEDRM CC(C)Oc1ccc(NC(=O)CC2(CC(=O)[O-])CCCCC2)cc1C#N ZINC000434926589 1089136641 /nfs/dbraw/zinc/13/66/41/1089136641.db2.gz LXKRMRFDTGLSET-UHFFFAOYSA-N -1 0 358.438 4.099 20 30 FIEDRM CCOc1cc(C#N)cc(-c2ccc(C(F)(F)F)s2)c1OCC(=O)[O-] ZINC000515312641 1089964721 /nfs/dbraw/zinc/96/47/21/1089964721.db2.gz OJIGXJSEYGJQCS-UHFFFAOYSA-N -1 0 371.336 4.168 20 30 FIEDRM CSc1ncc(C([O-])=C(C#N)c2nc3ccccc3o2)n1-c1ccccc1 ZINC000041542353 1090239261 /nfs/dbraw/zinc/23/92/61/1090239261.db2.gz LVNGTAFOMWRHFU-CQSZACIVSA-N -1 0 374.425 4.225 20 30 FIEDRM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C ZINC000416415003 1090379145 /nfs/dbraw/zinc/37/91/45/1090379145.db2.gz HBQBLTXZYOGVGN-HNNXBMFYSA-N -1 0 373.522 4.433 20 30 FIEDRM Cc1nc(COC(C)(C)C)oc1C([O-])=C(C#N)c1nc(C2CC2)cs1 ZINC000651381212 1090380103 /nfs/dbraw/zinc/38/01/03/1090380103.db2.gz TZZHGHINTZYBAS-GFCCVEGCSA-N -1 0 359.451 4.122 20 30 FIEDRM C=CCc1cc(CNc2ccc([C@H](C)CC(=O)[O-])cc2)cc(OC)c1O ZINC000417608453 1090937811 /nfs/dbraw/zinc/93/78/11/1090937811.db2.gz IPYOWGYTADAIDV-CQSZACIVSA-N -1 0 355.434 4.320 20 30 FIEDRM N#CC(=C([O-])c1ccc2[nH]c(C(F)F)nc2c1)c1nc2ccccc2o1 ZINC000601432868 1091076288 /nfs/dbraw/zinc/07/62/88/1091076288.db2.gz LVDYANPSEBISDE-SNVBAGLBSA-N -1 0 352.300 4.132 20 30 FIEDRM Cc1nc(-c2ccccc2)sc1C([O-])=C(C#N)c1nc2[nH]ccc(C)c-2n1 ZINC000429579557 1092337129 /nfs/dbraw/zinc/33/71/29/1092337129.db2.gz MDEOHFJSFPAWIS-CQSZACIVSA-N -1 0 373.441 4.188 20 30 FIEDRM CCO[C@@H](C)c1ncc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)s1 ZINC000442614629 1092690027 /nfs/dbraw/zinc/69/00/27/1092690027.db2.gz HTWPDOWHWZUBLR-ONGXEEELSA-N -1 0 369.368 4.144 20 30 FIEDRM Cc1cc(C(=O)N=c2[n-]n(C(C)(C)C)cc2C#N)sc1-c1ccccc1 ZINC000521456906 1092696185 /nfs/dbraw/zinc/69/61/85/1092696185.db2.gz JQQINTODASPCOL-UHFFFAOYSA-N -1 0 364.474 4.221 20 30 FIEDRM COc1cccc(N=c2[n-]nc(S[C@@H](C)c3cccc(C#N)c3)s2)c1 ZINC000442896273 1092848452 /nfs/dbraw/zinc/84/84/52/1092848452.db2.gz BWHKGIUYTSDRRR-LBPRGKRZSA-N -1 0 368.487 4.437 20 30 FIEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)cc1 ZINC000443404475 1093107529 /nfs/dbraw/zinc/10/75/29/1093107529.db2.gz SJYQVKOBNJLKDK-UHFFFAOYSA-N -1 0 370.474 4.002 20 30 FIEDRM C=CCCc1ccccc1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000443418889 1093116398 /nfs/dbraw/zinc/11/63/98/1093116398.db2.gz ORIPXIBOTCMBMG-UHFFFAOYSA-N -1 0 366.826 4.168 20 30 FIEDRM C=CCn1c(=N)[n-]nc1SCc1ccc(Oc2ccccc2)c(F)c1 ZINC000433377326 1093642695 /nfs/dbraw/zinc/64/26/95/1093642695.db2.gz MJVXFWGYAXIRMX-UHFFFAOYSA-N -1 0 356.426 4.100 20 30 FIEDRM N#CC(=C([O-])c1cc2c(s1)CCC2)c1nc(-c2ccncc2)cs1 ZINC000114619636 1093660063 /nfs/dbraw/zinc/66/00/63/1093660063.db2.gz YAFLHOWAGTYZEW-CYBMUJFWSA-N -1 0 351.456 4.245 20 30 FIEDRM Cn1cc(C([O-])=C(C#N)c2nc3ccccc3s2)c(-c2cccs2)n1 ZINC000509882033 1093684479 /nfs/dbraw/zinc/68/44/79/1093684479.db2.gz BRDRHPFCNPMGID-NSHDSACASA-N -1 0 364.455 4.248 20 30 FIEDRM N#Cc1cc(O)cc(C(=O)N(CCc2cccc(F)c2)C2CCCC2)c1 ZINC000614375205 1093775910 /nfs/dbraw/zinc/77/59/10/1093775910.db2.gz KJDGXJFCYAOAGR-UHFFFAOYSA-N -1 0 352.409 4.030 20 30 FIEDRM Cc1cc(C#N)ccc1CSc1n[n-]c(=NCc2ccccc2)s1 ZINC000614397386 1093814013 /nfs/dbraw/zinc/81/40/13/1093814013.db2.gz PBBRTDJQBHJHMT-UHFFFAOYSA-N -1 0 352.488 4.045 20 30 FIEDRM Cc1cc(C#N)ccc1CSc1n[n-]c(=NCCc2cccs2)s1 ZINC000614402114 1093820158 /nfs/dbraw/zinc/82/01/58/1093820158.db2.gz KQTNZFHIJICKOD-UHFFFAOYSA-N -1 0 372.544 4.149 20 30 FIEDRM Cc1ccc2c(Cl)c(C([O-])=C(C#N)C(=O)NC3CCCC3)sc2c1 ZINC000729186612 1093941502 /nfs/dbraw/zinc/94/15/02/1093941502.db2.gz LMFZJYBVNDZONO-ZDUSSCGKSA-N -1 0 360.866 4.244 20 30 FIEDRM CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000513393130 1094094483 /nfs/dbraw/zinc/09/44/83/1094094483.db2.gz ADCYBLIRJPQGMS-UHFFFAOYSA-N -1 0 352.868 4.043 20 30 FIEDRM N#CC(=C([O-])c1occ2c1CCOC2)c1nc2cc(Cl)ccc2s1 ZINC000513673525 1094266643 /nfs/dbraw/zinc/26/66/43/1094266643.db2.gz STDQNBDFVWEOPZ-LBPRGKRZSA-N -1 0 358.806 4.105 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)c(Cl)c1 ZINC000183067880 1094274179 /nfs/dbraw/zinc/27/41/79/1094274179.db2.gz JRHUCAWSIUCXHY-UHFFFAOYSA-N -1 0 374.771 4.117 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)c(Cl)c1 ZINC000183077256 1094279086 /nfs/dbraw/zinc/27/90/86/1094279086.db2.gz IWCUIECDJZLHHY-UHFFFAOYSA-N -1 0 374.771 4.117 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2C(=O)c2ccc(F)cc2)n1 ZINC000041516230 1094640988 /nfs/dbraw/zinc/64/09/88/1094640988.db2.gz SKSVDUIJUAWSKR-QGZVFWFLSA-N -1 0 364.401 4.312 20 30 FIEDRM CC(C)Oc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)ccc1[N+](=O)[O-] ZINC000420279196 1094859436 /nfs/dbraw/zinc/85/94/36/1094859436.db2.gz OVFBWOZWDFEYDH-CYBMUJFWSA-N -1 0 373.434 4.452 20 30 FIEDRM COc1ccc(C([O-])=C(C#N)c2nc3ccccc3s2)c(OC(F)F)c1 ZINC000475027602 1095201689 /nfs/dbraw/zinc/20/16/89/1095201689.db2.gz CPGXTDQTVKSPBJ-GFCCVEGCSA-N -1 0 374.368 4.396 20 30 FIEDRM O=C(Nc1cccc(Cl)c1[O-])[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 ZINC000329734956 1095241206 /nfs/dbraw/zinc/24/12/06/1095241206.db2.gz KPJCGOMTXPLWOL-WQVCFCJDSA-N -1 0 372.856 4.261 20 30 FIEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(-c3ccccc3Cl)s2)C(=O)O1 ZINC000120780572 1095686624 /nfs/dbraw/zinc/68/66/24/1095686624.db2.gz IDXNCPSHIMUNMW-IWHGQQBYSA-N -1 0 372.829 4.297 20 30 FIEDRM CC[C@@H](C)n1ncc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c1C ZINC000516830992 1099838882 /nfs/dbraw/zinc/83/88/82/1099838882.db2.gz CMUFANZYCCDIDQ-IUODEOHRSA-N -1 0 365.462 4.171 20 30 FIEDRM CCCc1cc(C([O-])=C(C#N)c2nc(C(=O)OCC)cs2)sc1C ZINC000517921822 1100795013 /nfs/dbraw/zinc/79/50/13/1100795013.db2.gz LRHLXPONMSOTDM-LBPRGKRZSA-N -1 0 362.476 4.132 20 30 FIEDRM N#CC(=C([O-])c1c[nH]nc1-c1ccc(F)cc1)c1nc2ccccc2s1 ZINC000509543791 1100941268 /nfs/dbraw/zinc/94/12/68/1100941268.db2.gz WDAYNJSBXHVZKU-ZDUSSCGKSA-N -1 0 362.389 4.316 20 30 FIEDRM C=C[C@H](CC(=O)N1CCC(c2ccccc2C(=O)[O-])CC1)c1ccccc1 ZINC000648442928 1101375180 /nfs/dbraw/zinc/37/51/80/1101375180.db2.gz SKPAPJJLGBARHO-QGZVFWFLSA-N -1 0 363.457 4.451 20 30 FIEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000506661932 1101714322 /nfs/dbraw/zinc/71/43/22/1101714322.db2.gz PSYMHVVNJNYGBJ-UHFFFAOYSA-N -1 0 374.771 4.340 20 30 FIEDRM CCc1ccc(-c2noc([C@@H](C)/N=C/c3cc([N+](=O)[O-])ccc3[O-])n2)cc1 ZINC000760213081 1101759181 /nfs/dbraw/zinc/75/91/81/1101759181.db2.gz OAVVENTVPDGIDD-ZICWZVMQSA-N -1 0 366.377 4.093 20 30 FIEDRM Cc1ccc2nc(-c3ccccc3)cc(C([O-])=C(C#N)c3ccncn3)c2c1 ZINC000760356033 1101936196 /nfs/dbraw/zinc/93/61/96/1101936196.db2.gz FGHRUSGOJXPMCL-IBGZPJMESA-N -1 0 364.408 4.490 20 30 FIEDRM Cc1ccc(N=NC(C)c2ccc(Oc3ccc(C(=O)[O-])cc3)cc2)nn1 ZINC000760248721 1102099004 /nfs/dbraw/zinc/09/90/04/1102099004.db2.gz KIWIVSFACAYXDD-UHFFFAOYSA-N -1 0 362.389 4.112 20 30 FIEDRM C[C@H](CCn1[n-]c(C(C)(C)C)c(CCC#N)c1=O)OCc1ccccc1 ZINC000473676456 1102501228 /nfs/dbraw/zinc/50/12/28/1102501228.db2.gz OSYYOZJPCGKCCI-MRXNPFEDSA-N -1 0 355.482 4.338 20 30 FIEDRM C[C@H](Oc1cccc(C(=O)/C=C/c2cnc(C3CCC3)s2)c1)C(=O)[O-] ZINC000760263950 1102555505 /nfs/dbraw/zinc/55/55/05/1102555505.db2.gz IKDSRFYWNVUAJG-BCPZQOPPSA-N -1 0 357.431 4.159 20 30 FIEDRM Cc1ccc(-c2nc(C([O-])=C(C#N)c3nc4ccccc4n3C)cs2)o1 ZINC000123046371 1102757868 /nfs/dbraw/zinc/75/78/68/1102757868.db2.gz KZEHXNAQRZJVDH-GFCCVEGCSA-N -1 0 362.414 4.088 20 30 FIEDRM CC(C)c1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)nn1C(C)(C)C ZINC000123055669 1102775006 /nfs/dbraw/zinc/77/50/06/1102775006.db2.gz GPLTYROEQHFXMD-AWEZNQCLSA-N -1 0 363.465 4.138 20 30 FIEDRM COc1ccc(CCCCCC(=O)[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000067599734 1102992013 /nfs/dbraw/zinc/99/20/13/1102992013.db2.gz UUQFTJPKJBGYQX-UHFFFAOYSA-N -1 0 361.463 4.144 20 30 FIEDRM N#CC(=C([O-])c1csc(C(F)(F)F)n1)c1ccc(C(F)(F)F)cn1 ZINC000551770628 1103608915 /nfs/dbraw/zinc/60/89/15/1103608915.db2.gz DWGYIROPTVGGIV-ZETCQYMHSA-N -1 0 365.258 4.066 20 30 FIEDRM Cc1nc([C@H]2CCCOC2)sc1C(=O)Nc1cccc(Cl)c1[O-] ZINC000328938696 1104595543 /nfs/dbraw/zinc/59/55/43/1104595543.db2.gz KEXKNOAGVJJBPB-JTQLQIEISA-N -1 0 352.843 4.341 20 30 FIEDRM C=CCC[C@H](NC(=O)N=c1[n-]nc(C)s1)c1ccc(C(F)(F)F)cc1 ZINC000441615963 1105032197 /nfs/dbraw/zinc/03/21/97/1105032197.db2.gz WVHRCYCBQFGING-ZDUSSCGKSA-N -1 0 370.400 4.116 20 30 FIEDRM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000067456298 1105187542 /nfs/dbraw/zinc/18/75/42/1105187542.db2.gz ZNTLTMYPSLRPTP-UHFFFAOYSA-N -1 0 352.390 4.180 20 30 FIEDRM CC(=O)c1ccc([O-])c(NC(=O)c2cn(CCCC#N)c3ccccc23)c1 ZINC000444361359 1106920445 /nfs/dbraw/zinc/92/04/45/1106920445.db2.gz YNAHWGBRDQOVGS-UHFFFAOYSA-N -1 0 361.401 4.106 20 30 FIEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](c2ccccc2C)C(C)(C)C)cc1C#N ZINC000088418984 1107824207 /nfs/dbraw/zinc/82/42/07/1107824207.db2.gz VCXSIZCAFNPYLQ-MRXNPFEDSA-N -1 0 369.490 4.206 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)nn1C(C)C ZINC000453625571 1108651905 /nfs/dbraw/zinc/65/19/05/1108651905.db2.gz KNKSBCBNAMJLDL-GFCCVEGCSA-N -1 0 357.364 4.007 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2oc3ccccc3c2CC)n1 ZINC000453631448 1108678934 /nfs/dbraw/zinc/67/89/34/1108678934.db2.gz SEJFOTJLZQELJM-ZDUSSCGKSA-N -1 0 368.414 4.118 20 30 FIEDRM O=C([O-])COc1cccc(C(=O)/C=C/c2ccc(N3CCCCC3)cc2)c1 ZINC000007621585 1108699286 /nfs/dbraw/zinc/69/92/86/1108699286.db2.gz NCKRFPJQJVSTCA-FMIVXFBMSA-N -1 0 365.429 4.036 20 30 FIEDRM N#C[C@@H](Sc1n[n-]c(=NCCc2cccs2)s1)C1CCCCC1 ZINC000524534554 1109067422 /nfs/dbraw/zinc/06/74/22/1109067422.db2.gz AJRZQXMVNNTURE-CQSZACIVSA-N -1 0 364.565 4.241 20 30 FIEDRM N#C[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC000446033195 1109089567 /nfs/dbraw/zinc/08/95/67/1109089567.db2.gz JXNNQQNIBCSCIO-ZDUSSCGKSA-N -1 0 372.705 4.198 20 30 FIEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/Cc2ccccc2OC(F)F)c1[O-] ZINC000022692906 1109597768 /nfs/dbraw/zinc/59/77/68/1109597768.db2.gz HPXHGPJYNCSEOS-UFWORHAWSA-N -1 0 356.712 4.174 20 30 FIEDRM Cc1cc(F)ccc1CN=c1[n-]nc(SCc2ccc(C#N)cc2)s1 ZINC000447959138 1109687802 /nfs/dbraw/zinc/68/78/02/1109687802.db2.gz MTRMTLNABBZCHM-UHFFFAOYSA-N -1 0 370.478 4.184 20 30 FIEDRM Cc1ccc(CN=c2[n-]nc(SCc3ccc(C#N)cc3)s2)cc1 ZINC000447961396 1109687886 /nfs/dbraw/zinc/68/78/86/1109687886.db2.gz BMOQLYJPFBBBIG-UHFFFAOYSA-N -1 0 352.488 4.045 20 30 FIEDRM Cc1ccc(-c2nn(C)cc2C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)o1 ZINC000529007377 1110175507 /nfs/dbraw/zinc/17/55/07/1110175507.db2.gz FGLDWNSOKSUMSY-GFCCVEGCSA-N -1 0 368.462 4.233 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C#N)c(F)c2)o1 ZINC000539111321 1111436621 /nfs/dbraw/zinc/43/66/21/1111436621.db2.gz ASRWDLWTRNEJNP-UHFFFAOYSA-N -1 0 372.377 4.192 20 30 FIEDRM N#CC(=C([O-])c1cnn(Cc2ccccc2)c1)c1nc2ccccc2s1 ZINC000041502267 1111522352 /nfs/dbraw/zinc/52/23/52/1111522352.db2.gz FTYJHUVHMGONCK-INIZCTEOSA-N -1 0 358.426 4.031 20 30 FIEDRM Cc1nc(COC(C)(C)C)oc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000567477196 1112550643 /nfs/dbraw/zinc/55/06/43/1112550643.db2.gz HOGHZFXUTZPLNM-LBPRGKRZSA-N -1 0 361.467 4.368 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cc3sc(N4CCCC4)nc3s2)n1 ZINC000555432425 1112839975 /nfs/dbraw/zinc/83/99/75/1112839975.db2.gz WKWRUYOUNMAKQH-JTQLQIEISA-N -1 0 374.516 4.213 20 30 FIEDRM CC(C)Cn1ncc2cc(C(=O)[C@H](C#N)c3nccc4ccccc43)cnc21 ZINC000483187987 1113463314 /nfs/dbraw/zinc/46/33/14/1113463314.db2.gz AKGASXTUYGRNBP-LJQANCHMSA-N -1 0 369.428 4.126 20 30 FIEDRM Cc1cc(F)ccc1-n1ccc(C([O-])=C(C#N)c2nccc3ccccc32)n1 ZINC000483232173 1113472291 /nfs/dbraw/zinc/47/22/91/1113472291.db2.gz GLRBREHUHVWZAC-SFHVURJKSA-N -1 0 370.387 4.358 20 30 FIEDRM CCOc1c(Cl)cc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)cc1OC ZINC000027123386 1113515215 /nfs/dbraw/zinc/51/52/15/1113515215.db2.gz JQXMSGMTAQAQNL-SNAWJCMRSA-N -1 0 366.822 4.403 20 30 FIEDRM C=CCSc1ccccc1C([O-])=C(C#N)c1nc(C(=O)OCC)cs1 ZINC000486996648 1113693667 /nfs/dbraw/zinc/69/36/67/1113693667.db2.gz IGUOWESQVMTJDL-ZDUSSCGKSA-N -1 0 372.471 4.088 20 30 FIEDRM COc1cccc(N=c2[n-]nc(SCc3cccc(F)c3C#N)s2)c1 ZINC000488275950 1113900623 /nfs/dbraw/zinc/90/06/23/1113900623.db2.gz CFOUIYJDTCKPQR-UHFFFAOYSA-N -1 0 372.450 4.015 20 30 FIEDRM C=C[C@@H]1CCCCN1C(=O)N=c1[n-]nc([C@@H](CC)c2ccccc2)s1 ZINC000488336285 1113910769 /nfs/dbraw/zinc/91/07/69/1113910769.db2.gz UJRUCIRCMWUNQF-CVEARBPZSA-N -1 0 356.495 4.074 20 30 FIEDRM O=C1c2cc(Cl)cc(Cl)c2OC/C1=C/c1ccc([O-])c([N+](=O)[O-])c1 ZINC000912858948 1114232023 /nfs/dbraw/zinc/23/20/23/1114232023.db2.gz MFUVKRHOTUMXMA-OQFOIZHKSA-N -1 0 366.156 4.266 20 30 FIEDRM N#CC(=C([O-])C=CSCc1ccco1)c1nc(-c2ccncc2)cs1 ZINC000151139745 1114302908 /nfs/dbraw/zinc/30/29/08/1114302908.db2.gz DMWMCTOGOQLAHU-FUVBFXSKSA-N -1 0 367.455 4.421 20 30 FIEDRM Cn1cc(/C=C/C(=O)c2ccc3ccccc3c2[O-])c(-c2ccncc2)n1 ZINC000156611269 1114479105 /nfs/dbraw/zinc/47/91/05/1114479105.db2.gz JALUDSGPVMKHMI-VQHVLOKHSA-N -1 0 355.397 4.237 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c(C(F)(F)F)c1 ZINC000055548438 1114496318 /nfs/dbraw/zinc/49/63/18/1114496318.db2.gz IZEIVUYNUPDJSW-UHFFFAOYSA-N -1 0 360.744 4.031 20 30 FIEDRM N#C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc(F)cc(F)c1 ZINC000129655045 1114634411 /nfs/dbraw/zinc/63/44/11/1114634411.db2.gz LYQSZMRFUJNKNV-GFCCVEGCSA-N -1 0 369.154 4.233 20 30 FIEDRM Cc1cccc(CCC(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)c1 ZINC000058034814 1115073372 /nfs/dbraw/zinc/07/33/72/1115073372.db2.gz VNBYUGIKYWOWAE-UHFFFAOYSA-N -1 0 355.459 4.201 20 30 FIEDRM O=C(Cc1ccc(Cl)cc1Cl)[N-]S(=O)(=O)C1CCCCC1 ZINC000058072158 1115091675 /nfs/dbraw/zinc/09/16/75/1115091675.db2.gz PLXZXWFWVCWCLU-UHFFFAOYSA-N -1 0 350.267 4.155 20 30 FIEDRM O=C(CCCC1CCCCC1)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000058153259 1115117537 /nfs/dbraw/zinc/11/75/37/1115117537.db2.gz TXDZVPHGQCQRQZ-UHFFFAOYSA-N -1 0 358.891 4.272 20 30 FIEDRM Cc1ocnc1C([O-])=C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000591862295 1115165738 /nfs/dbraw/zinc/16/57/38/1115165738.db2.gz NTNCYUAQFGFDAX-SECBINFHSA-N -1 0 351.309 4.102 20 30 FIEDRM N#CC(=C([O-])c1ccccc1-n1cccn1)c1nc2cc(F)ccc2s1 ZINC000592974382 1115272665 /nfs/dbraw/zinc/27/26/65/1115272665.db2.gz RMUJLROXNXXONW-AWEZNQCLSA-N -1 0 362.389 4.111 20 30 FIEDRM CCc1c(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cnn1C(C)(C)C ZINC000592974114 1115272864 /nfs/dbraw/zinc/27/28/64/1115272864.db2.gz NLJAGDOYYRWUGH-LBPRGKRZSA-N -1 0 370.453 4.439 20 30 FIEDRM CC(C)(C#N)c1ccc(CN=c2[n-]nc(CCCc3cccs3)o2)cc1 ZINC000593945112 1115354889 /nfs/dbraw/zinc/35/48/89/1115354889.db2.gz HIZODVBOKYSIOP-UHFFFAOYSA-N -1 0 366.490 4.142 20 30 FIEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)Cc2ccc3ccccc3c2)c1 ZINC000046929387 1115549351 /nfs/dbraw/zinc/54/93/51/1115549351.db2.gz DBEWNVKHTGEKME-UHFFFAOYSA-N -1 0 353.443 4.345 20 30 FIEDRM Cc1cc(NC2=C(c3ccccc3)C(=O)c3ccccc32)cnc1C(=O)[O-] ZINC001168410122 1115607126 /nfs/dbraw/zinc/60/71/26/1115607126.db2.gz USFWHTJNVLRSRX-UHFFFAOYSA-N -1 0 356.381 4.265 20 30 FIEDRM Cc1ccc(C)c(C(=O)Nc2sc3c(c2C#N)CCCCC3)c1C(=O)[O-] ZINC000601979777 1115676768 /nfs/dbraw/zinc/67/67/68/1115676768.db2.gz BWMMAXIJWKFWDN-UHFFFAOYSA-N -1 0 368.458 4.456 20 30 FIEDRM Cc1ccc(C)c(C(=O)Nc2sc3c(c2C#N)CCCC3)c1C(=O)[O-] ZINC000601983269 1115676901 /nfs/dbraw/zinc/67/69/01/1115676901.db2.gz MOKJOOSHOFBKHT-UHFFFAOYSA-N -1 0 354.431 4.066 20 30 FIEDRM N#CC(=C([O-])c1sc2ccccc2c1Cl)c1nnc2n1CCCCC2 ZINC000060851267 1115718825 /nfs/dbraw/zinc/71/88/25/1115718825.db2.gz ODXHWPDFCNUCNF-LBPRGKRZSA-N -1 0 370.865 4.363 20 30 FIEDRM COc1ccccc1C(C)=CC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000171362801 1115864002 /nfs/dbraw/zinc/86/40/02/1115864002.db2.gz OWPXDDHLYXOCON-QIXNEVBVSA-N -1 0 372.424 4.480 20 30 FIEDRM CCN(C(=O)c1ccc2[n-]c(=S)oc2c1)[C@H](C)c1ccc(C#N)cc1 ZINC000172362829 1115936375 /nfs/dbraw/zinc/93/63/75/1115936375.db2.gz FTJWFFZIWPYXQA-GFCCVEGCSA-N -1 0 351.431 4.211 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCC(=O)c1ccccc1 ZINC000173915322 1116100541 /nfs/dbraw/zinc/10/05/41/1116100541.db2.gz JGSHMGALZGZSAC-QGZVFWFLSA-N -1 0 358.397 4.031 20 30 FIEDRM CCO[C@H](C)c1ncc(C([O-])=C(C#N)c2ccc3ccccc3n2)s1 ZINC000608552806 1116115144 /nfs/dbraw/zinc/11/51/44/1116115144.db2.gz PLYFMAMVBMNJPA-OCCSQVGLSA-N -1 0 351.431 4.279 20 30 FIEDRM N#Cc1cccc(CC(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)c1 ZINC000535020326 1116261314 /nfs/dbraw/zinc/26/13/14/1116261314.db2.gz KEUUKYPBRHUBMD-UHFFFAOYSA-N -1 0 355.608 4.405 20 30 FIEDRM N#CC(=C([O-])c1ccn(-c2ccc(Cl)cc2)n1)c1nc2ccccc2o1 ZINC000535315042 1116292687 /nfs/dbraw/zinc/29/26/87/1116292687.db2.gz POGKSNYTQVMYCA-AWEZNQCLSA-N -1 0 362.776 4.157 20 30 FIEDRM N#CCc1ccc(C(=O)Nc2cc(Cl)cc(Br)c2[O-])cc1 ZINC000535419451 1116304273 /nfs/dbraw/zinc/30/42/73/1116304273.db2.gz LSJRWUSZIUENLU-UHFFFAOYSA-N -1 0 365.614 4.126 20 30 FIEDRM N#CC(=C([O-])c1cnc(-c2ccncc2)s1)c1nc2ccccc2s1 ZINC000535514813 1116314786 /nfs/dbraw/zinc/31/47/86/1116314786.db2.gz ZEKJLQFFBZFBRU-GFCCVEGCSA-N -1 0 362.439 4.305 20 30 FIEDRM CC[C@@H](C)n1nc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1C ZINC000539791497 1116380890 /nfs/dbraw/zinc/38/08/90/1116380890.db2.gz SWFRBRMMUROKHK-DOMZBBRYSA-N -1 0 365.462 4.171 20 30 FIEDRM N#Cc1cccc(CSc2n[n-]c(=Nc3ccccc3F)s2)c1F ZINC000540349049 1118005597 /nfs/dbraw/zinc/00/55/97/1118005597.db2.gz MMYCXPFUMIOAMW-UHFFFAOYSA-N -1 0 360.414 4.146 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ncc(C3CCCCC3)s2)c(F)c1 ZINC000541074621 1118370666 /nfs/dbraw/zinc/37/06/66/1118370666.db2.gz SHLYTNGCWBNEAV-UHFFFAOYSA-N -1 0 365.455 4.002 20 30 FIEDRM COCCOCc1ccc(C(=O)[C@H](C#N)c2ncc(C(C)(C)C)s2)cc1 ZINC000464311292 1118522489 /nfs/dbraw/zinc/52/24/89/1118522489.db2.gz NYKNTHUEYNJWBA-INIZCTEOSA-N -1 0 372.490 4.094 20 30 FIEDRM N#CC(=C([O-])c1cncnc1-c1ccccc1)c1cc(C(F)(F)F)ccn1 ZINC000464410073 1118546812 /nfs/dbraw/zinc/54/68/12/1118546812.db2.gz MHFTXGJSRBQWKC-AWEZNQCLSA-N -1 0 368.318 4.047 20 30 FIEDRM CC[C@H](C)n1ncc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1C ZINC000464412571 1118547397 /nfs/dbraw/zinc/54/73/97/1118547397.db2.gz STLXUERSUDAVBK-GWCFXTLKSA-N -1 0 350.344 4.066 20 30 FIEDRM COc1ccc(Cl)cc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464414432 1118547952 /nfs/dbraw/zinc/54/79/52/1118547952.db2.gz KJVCMZWRFXTPOI-LBPRGKRZSA-N -1 0 354.715 4.252 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c2ccccc2n1 ZINC000464420949 1118558933 /nfs/dbraw/zinc/55/89/33/1118558933.db2.gz KHJAGPNFLDYCCU-HNNXBMFYSA-N -1 0 355.319 4.447 20 30 FIEDRM N#CC(=C([O-])c1csc(C(F)(F)F)n1)c1cc(C(F)(F)F)ccn1 ZINC000464480082 1118584924 /nfs/dbraw/zinc/58/49/24/1118584924.db2.gz XVFWLAPOGPNORF-ZETCQYMHSA-N -1 0 365.258 4.066 20 30 FIEDRM CC1(C)c2cc(C([O-])=C(C#N)c3nc4ccccc4s3)ccc2NC1=O ZINC000492262953 1119057143 /nfs/dbraw/zinc/05/71/43/1119057143.db2.gz YOZSLLHNCVGFSQ-LBPRGKRZSA-N -1 0 361.426 4.016 20 30 FIEDRM N#CC1(C(=O)Nc2cc(Cl)cc(Br)c2[O-])CCCCC1 ZINC000174917054 1119097459 /nfs/dbraw/zinc/09/74/59/1119097459.db2.gz YVUCIGKLBOPEPL-UHFFFAOYSA-N -1 0 357.635 4.221 20 30 FIEDRM C[C@H](Oc1cccc(C(=O)/C=C/c2ccc(Cl)nc2Cl)c1)C(=O)[O-] ZINC000761479237 1119163113 /nfs/dbraw/zinc/16/31/13/1119163113.db2.gz XVUONTJLHBCLDB-STUBTGCMSA-N -1 0 366.200 4.136 20 30 FIEDRM C[C@H](C#N)Oc1ccc(/C=C\c2nc3ccc(C(=O)[O-])cc3s2)cc1 ZINC000761487072 1119252995 /nfs/dbraw/zinc/25/29/95/1119252995.db2.gz SMWIZAFPEZEBCB-TWLAMCEISA-N -1 0 350.399 4.456 20 30 FIEDRM C[C@H](C#N)Oc1ccc(/C=C/c2nc3ccc(C(=O)[O-])cc3s2)cc1 ZINC000761487066 1119253032 /nfs/dbraw/zinc/25/30/32/1119253032.db2.gz SMWIZAFPEZEBCB-OXFRDRNISA-N -1 0 350.399 4.456 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccn(-c3ccc(F)cc3F)n2)n1 ZINC000184353019 1119604255 /nfs/dbraw/zinc/60/42/55/1119604255.db2.gz KDPLQAGZAHTYHJ-LBPRGKRZSA-N -1 0 372.400 4.220 20 30 FIEDRM CSc1cccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1[N+](=O)[O-] ZINC000189097321 1119835364 /nfs/dbraw/zinc/83/53/64/1119835364.db2.gz BGUKMSXDEFAHAU-NSHDSACASA-N -1 0 361.448 4.387 20 30 FIEDRM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1sccc1OC ZINC000191569425 1119984349 /nfs/dbraw/zinc/98/43/49/1119984349.db2.gz SNSXPIOUYWULOQ-UHFFFAOYSA-N -1 0 351.493 4.409 20 30 FIEDRM Cc1nc(-c2ccccc2)c(C([O-])=C(C#N)c2nc3ccccc3n2C)s1 ZINC000193263884 1120121546 /nfs/dbraw/zinc/12/15/46/1120121546.db2.gz ACDOTNYJYBDWAG-OAHLLOKOSA-N -1 0 372.453 4.495 20 30 FIEDRM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]c1cc(C#N)ccc1C ZINC000470439443 1120245962 /nfs/dbraw/zinc/24/59/62/1120245962.db2.gz WHVPAOBDSWARQB-UHFFFAOYSA-N -1 0 360.822 4.376 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)c2c(n1)onc2C(C)C ZINC000194375640 1120264812 /nfs/dbraw/zinc/26/48/12/1120264812.db2.gz ZIBVTXZMYIONGS-CQSZACIVSA-N -1 0 373.416 4.031 20 30 FIEDRM CCOC(=O)c1sc(C/N=C/c2cc(Cl)cc(Cl)c2[O-])nc1C ZINC000749931061 1120523544 /nfs/dbraw/zinc/52/35/44/1120523544.db2.gz PAZLYICNNVEJIN-NGYBGAFCSA-N -1 0 373.261 4.260 20 30 FIEDRM CCn1ncc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1-c1ccccc1 ZINC000495254466 1120583960 /nfs/dbraw/zinc/58/39/60/1120583960.db2.gz YCOXXWRXSXSSJL-MRXNPFEDSA-N -1 0 367.412 4.003 20 30 FIEDRM CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(Cl)c1O ZINC000915917750 1121348803 /nfs/dbraw/zinc/34/88/03/1121348803.db2.gz MMPSNXSUZKDTTO-UHFFFAOYSA-N -1 0 359.735 4.304 20 30 FIEDRM N#Cc1cccc(COc2cccc(C=NNc3ccc(C(=O)[O-])cc3)c2)c1 ZINC000915934257 1121354244 /nfs/dbraw/zinc/35/42/44/1121354244.db2.gz YFYRQVQXCPEKSZ-UHFFFAOYSA-N -1 0 371.396 4.281 20 30 FIEDRM CCCCOc1ccc(C(C)=NNc2cccc(C(=O)[O-])c2)cc1OC ZINC000915936035 1121355259 /nfs/dbraw/zinc/35/52/59/1121355259.db2.gz MTCGYCOVRQZEAY-UHFFFAOYSA-N -1 0 356.422 4.408 20 30 FIEDRM O=C([O-])CCOc1ccc(C=NN=C(c2ccccc2)c2ccccc2)cc1 ZINC000915936106 1121355665 /nfs/dbraw/zinc/35/56/65/1121355665.db2.gz AUCKSGCIKAFIOW-UHFFFAOYSA-N -1 0 372.424 4.412 20 30 FIEDRM CN(C)c1cc(C#N)cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)c1 ZINC000496198998 1121356077 /nfs/dbraw/zinc/35/60/77/1121356077.db2.gz XRRZROOBVJALQM-GOSISDBHSA-N -1 0 372.453 4.238 20 30 FIEDRM COc1ccc([C@H](C)/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1OC ZINC000915982735 1121363692 /nfs/dbraw/zinc/36/36/92/1121363692.db2.gz AFMNHLNDVBMJTP-OVNPTBDBSA-N -1 0 364.785 4.151 20 30 FIEDRM O=C([O-])c1ccc(C(=O)/C=C\c2cnn(-c3ccc(Cl)cc3)c2)s1 ZINC000915987271 1121366801 /nfs/dbraw/zinc/36/68/01/1121366801.db2.gz BMOQNRMBMNZWNQ-BHQIHCQQSA-N -1 0 358.806 4.182 20 30 FIEDRM COc1ccc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)cc1OCC(C)C ZINC000915987568 1121367374 /nfs/dbraw/zinc/36/73/74/1121367374.db2.gz GTAOSCKKCVRKHD-UXBLZVDNSA-N -1 0 368.429 4.253 20 30 FIEDRM CCCCn1nc(C)c(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)c1Cl ZINC000915987733 1121367590 /nfs/dbraw/zinc/36/75/90/1121367590.db2.gz JYJFJQRJUHVTMZ-KTKRTIGZSA-N -1 0 360.841 4.168 20 30 FIEDRM O=C([O-])c1ccc(C(=O)/C=C\c2ccccc2OCc2cccnc2)s1 ZINC000915988382 1121368115 /nfs/dbraw/zinc/36/81/15/1121368115.db2.gz VQPLZNIVXGHLSQ-FPLPWBNLSA-N -1 0 365.410 4.316 20 30 FIEDRM CCCOc1ccc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)cc1OCC ZINC000915990944 1121369167 /nfs/dbraw/zinc/36/91/67/1121369167.db2.gz STFJYGWPKIPTJW-YRNVUSSQSA-N -1 0 368.429 4.397 20 30 FIEDRM N#Cc1ccc(-c2csc([N-]S(=O)(=O)/C=C\c3ccccc3)n2)cc1 ZINC000916102251 1121411318 /nfs/dbraw/zinc/41/13/18/1121411318.db2.gz KSHSHYFQBHYBJG-KHPPLWFESA-N -1 0 367.455 4.094 20 30 FIEDRM O=C(/C=C/c1cccc2ccccc12)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000916129967 1121419194 /nfs/dbraw/zinc/41/91/94/1121419194.db2.gz DLFYGZLLJHVTCN-CSKARUKUSA-N -1 0 373.452 4.274 20 30 FIEDRM CC(=NNc1ccnc2cc(Cl)ccc21)c1cccc(OCC(=O)[O-])c1 ZINC000916269324 1121460912 /nfs/dbraw/zinc/46/09/12/1121460912.db2.gz GMNXKGKOUXAQDG-UHFFFAOYSA-N -1 0 369.808 4.188 20 30 FIEDRM O=C([O-])c1ccc([N-][NH+]=Cc2sc(Nc3ccccc3)nc2Cl)nc1 ZINC000763370485 1121492379 /nfs/dbraw/zinc/49/23/79/1121492379.db2.gz QKCNEWBGEBUDOZ-UHFFFAOYSA-N -1 0 373.825 4.079 20 30 FIEDRM CC(N=Nc1nc(-c2ccccc2)cs1)c1cccc(OCC(=O)[O-])c1 ZINC000916545201 1121538729 /nfs/dbraw/zinc/53/87/29/1121538729.db2.gz ATCYKNKPLLRUNN-UHFFFAOYSA-N -1 0 367.430 4.110 20 30 FIEDRM CCCCCCCC(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000916822979 1121864933 /nfs/dbraw/zinc/86/49/33/1121864933.db2.gz FKHALGYSNSUABR-UHFFFAOYSA-N -1 0 358.312 4.220 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(OC2CCCC2)cc1 ZINC000916874726 1121905479 /nfs/dbraw/zinc/90/54/79/1121905479.db2.gz IUOGSACDRKLUNL-IBGZPJMESA-N -1 0 356.466 4.027 20 30 FIEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(Oc2ccccc2)cc1 ZINC000916893154 1121911016 /nfs/dbraw/zinc/91/10/16/1121911016.db2.gz UBHNJZSZAHFLDL-HXUWFJFHSA-N -1 0 362.429 4.250 20 30 FIEDRM CCCCCCOc1ccc(C([O-])=C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000916893520 1121911955 /nfs/dbraw/zinc/91/19/55/1121911955.db2.gz BGGHIJXGNAQXJM-HXUWFJFHSA-N -1 0 370.493 4.417 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3sc(C)nc3C)n2)cc1 ZINC000066543801 1122072705 /nfs/dbraw/zinc/07/27/05/1122072705.db2.gz UALCGZWOHYOEKU-CQSZACIVSA-N -1 0 369.471 4.382 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cccc(F)c3)n2)cc1 ZINC000066544066 1122072815 /nfs/dbraw/zinc/07/28/15/1122072815.db2.gz YWRFSFVJDQXWSI-INIZCTEOSA-N -1 0 352.390 4.448 20 30 FIEDRM O=C(CCC1CCCCC1)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000091125504 1122158443 /nfs/dbraw/zinc/15/84/43/1122158443.db2.gz IGIAHTZIVOJATE-UHFFFAOYSA-N -1 0 351.468 4.017 20 30 FIEDRM N#CC(=C([O-])c1cccc2c1OCCO2)c1nc2cc(Cl)ccc2s1 ZINC000067799055 1122202899 /nfs/dbraw/zinc/20/28/99/1122202899.db2.gz KYKKMNYYPVIUEE-LBPRGKRZSA-N -1 0 370.817 4.211 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCCCC#N)c2)c(Cl)c1 ZINC000055639983 1122259652 /nfs/dbraw/zinc/25/96/52/1122259652.db2.gz AVTPWNQVOBKCGV-UHFFFAOYSA-N -1 0 364.854 4.132 20 30 FIEDRM COc1ccc(C/N=C/c2cc(Cl)cc(Cl)c2[O-])cc1[N+](=O)[O-] ZINC000917558054 1122352168 /nfs/dbraw/zinc/35/21/68/1122352168.db2.gz LNXFOVPODZHXGG-QGMBQPNBSA-N -1 0 355.177 4.235 20 30 FIEDRM O=C([O-])c1cccc(NN=Cc2ccc(-n3cnc4ccccc43)cc2)c1 ZINC000917566093 1122356049 /nfs/dbraw/zinc/35/60/49/1122356049.db2.gz ZHLDMHZBDUSRMF-UHFFFAOYSA-N -1 0 356.385 4.170 20 30 FIEDRM Cc1cc(COc2ccc(/C=C\c3ccc(C#N)cn3)cc2)oc1C(=O)[O-] ZINC000609261789 1122361187 /nfs/dbraw/zinc/36/11/87/1122361187.db2.gz SSSPYVBAVFVRLJ-KXFIGUGUSA-N -1 0 360.369 4.302 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2cnc(C(F)(F)F)c(C#N)c2)n1 ZINC000498063331 1122548388 /nfs/dbraw/zinc/54/83/88/1122548388.db2.gz UYMRGTHDVBNRPB-LLVKDONJSA-N -1 0 364.352 4.042 20 30 FIEDRM Cc1cc(C)cc(C(=O)C(C#N)=C([O-])c2sccc2Br)c1 ZINC000918537582 1122685340 /nfs/dbraw/zinc/68/53/40/1122685340.db2.gz WHDGAXVEUDFLKZ-LBPRGKRZSA-N -1 0 362.248 4.333 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)ccn1 ZINC000556554819 1122959616 /nfs/dbraw/zinc/95/96/16/1122959616.db2.gz QPEPNVGRZAYFLT-LBPRGKRZSA-N -1 0 355.369 4.282 20 30 FIEDRM Cc1cc(C#N)cnc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000556700913 1123046518 /nfs/dbraw/zinc/04/65/18/1123046518.db2.gz WIIIKAGTOAOVIS-GFCCVEGCSA-N -1 0 352.806 4.015 20 30 FIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ncc(C#N)cc3C)n2)cc1 ZINC000556700733 1123046618 /nfs/dbraw/zinc/04/66/18/1123046618.db2.gz CQMQDJYDXKLDPE-INIZCTEOSA-N -1 0 358.426 4.184 20 30 FIEDRM CCCOc1cc(/C=C2/CCc3oc(C(=O)[O-])c(C)c3C2=O)ccc1OC ZINC000920068536 1123337003 /nfs/dbraw/zinc/33/70/03/1123337003.db2.gz MVAFEHYGEDLQBJ-UVTDQMKNSA-N -1 0 370.401 4.296 20 30 FIEDRM O=C([O-])COc1ccc(/C=C\C(=O)c2c[nH]c3cc(Cl)ccc32)cc1 ZINC000920068984 1123337166 /nfs/dbraw/zinc/33/71/66/1123337166.db2.gz XOGZLYALLIMKDJ-BAQGIRSFSA-N -1 0 355.777 4.181 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCc1c[nH]c2ccccc12 ZINC000920101617 1123350255 /nfs/dbraw/zinc/35/02/55/1123350255.db2.gz GPBAYGADJUSOFY-SFHVURJKSA-N -1 0 369.424 4.482 20 30 FIEDRM COc1ccc(C(=O)/C=C\c2ccccc2OCC2CC2)cc1CC(=O)[O-] ZINC000920386962 1123450655 /nfs/dbraw/zinc/45/06/55/1123450655.db2.gz IRYUGBKORKAENT-NTMALXAHSA-N -1 0 366.413 4.007 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cccc1[N+](=O)[O-] ZINC000609321775 1123535954 /nfs/dbraw/zinc/53/59/54/1123535954.db2.gz LFTBEVCCUFKVNY-LBPRGKRZSA-N -1 0 355.350 4.142 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H](C)Cc1ccc(F)cc1 ZINC000921133424 1123568810 /nfs/dbraw/zinc/56/88/10/1123568810.db2.gz MHTSECTUVZICEY-ACJLOTCBSA-N -1 0 362.404 4.386 20 30 FIEDRM N#CC1(c2ccc(Nc3ccc(S(=O)(=O)[O-])c4ccccc34)cc2)CC1 ZINC001212257794 1123701915 /nfs/dbraw/zinc/70/19/15/1123701915.db2.gz IQRQQZOCWFZOCW-UHFFFAOYSA-N -1 0 364.426 4.385 20 30 FIEDRM C=CCN(Cc1ccccc1F)C(=O)N=c1[n-]nc(CCCCC)s1 ZINC000615476791 1124015235 /nfs/dbraw/zinc/01/52/35/1124015235.db2.gz NQQCZUQIKHNNSB-UHFFFAOYSA-N -1 0 362.474 4.052 20 30 FIEDRM COCc1nc(C([O-])=C(C#N)c2nc(-c3ccc(C)cc3)cs2)cs1 ZINC000068412931 1124230771 /nfs/dbraw/zinc/23/07/71/1124230771.db2.gz GPTRZAYRPHWEFN-CYBMUJFWSA-N -1 0 369.471 4.212 20 30 FIEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1C(F)(F)F ZINC000388033961 1124425445 /nfs/dbraw/zinc/42/54/45/1124425445.db2.gz DPAVVOAZTKJEFF-UHFFFAOYSA-N -1 0 366.773 4.093 20 30 FIEDRM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000108985269 1124427034 /nfs/dbraw/zinc/42/70/34/1124427034.db2.gz ZNFYUOKEUWUQHZ-NSHDSACASA-N -1 0 368.430 4.160 20 30 FIEDRM O=C([N-]S(=O)(=O)C=Cc1ccccc1)c1occc1-c1ccccc1 ZINC000069572194 1124991291 /nfs/dbraw/zinc/99/12/91/1124991291.db2.gz ZZVQVDQTTVWIAJ-OWBHPGMISA-N -1 0 353.399 4.252 20 30 FIEDRM O=C(C=Cc1ccco1)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000069641486 1125079612 /nfs/dbraw/zinc/07/96/12/1125079612.db2.gz FEAGFDBYAHFMEA-ONEGZZNKSA-N -1 0 352.220 4.007 20 30 FIEDRM Cc1ccc(-n2ncc(NC(=O)c3ccc(C#N)c([O-])c3)c2C(C)C)cc1 ZINC000481872746 568144767 /nfs/dbraw/zinc/14/47/67/568144767.db2.gz UWVIGRLGAQZAEV-UHFFFAOYSA-N -1 0 360.417 4.134 20 30 FIEDRM N#Cc1ccccc1Sc1ccc(C(=O)N=c2ccc(C3CC3)n[n-]2)cc1 ZINC000481849312 568159538 /nfs/dbraw/zinc/15/95/38/568159538.db2.gz QSKHXTAAHYYGHR-UHFFFAOYSA-N -1 0 372.453 4.051 20 30 FIEDRM N#Cc1cc(NC(=O)c2cc(F)c([O-])c(Cl)c2)ccc1OC(F)(F)F ZINC000436640245 568200960 /nfs/dbraw/zinc/20/09/60/568200960.db2.gz OHBYUMQCFGWPMG-UHFFFAOYSA-N -1 0 374.677 4.207 20 30 FIEDRM N#C[C@H](Cc1ccccc1)Sc1n[n-]c(=Nc2cccc(F)c2)s1 ZINC000604083291 568209410 /nfs/dbraw/zinc/20/94/10/568209410.db2.gz DOLVPYRRUXDJIR-HNNXBMFYSA-N -1 0 356.451 4.070 20 30 FIEDRM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000303200106 568259930 /nfs/dbraw/zinc/25/99/30/568259930.db2.gz OLLRXQUPSUXZFX-UHFFFAOYSA-N -1 0 355.818 4.235 20 30 FIEDRM N#CC(=C([O-])c1cnn2ccccc12)c1nc2cc(Cl)ccc2s1 ZINC000604929798 568397900 /nfs/dbraw/zinc/39/79/00/568397900.db2.gz VTVISODGQNZOKF-LLVKDONJSA-N -1 0 352.806 4.087 20 30 FIEDRM C=C(C)COc1cccc(NC(=O)N[C@H](C(=O)[O-])c2cccc(C)c2C)c1 ZINC000574592289 939728180 /nfs/dbraw/zinc/72/81/80/939728180.db2.gz YCBIXGWDCFRFKK-IBGZPJMESA-N -1 0 368.433 4.206 20 30 FIEDRM N#C[C@@H](Sc1n[n-]c(=NCc2ccco2)s1)c1ccc(Cl)cc1 ZINC000619863680 1125719675 /nfs/dbraw/zinc/71/96/75/1125719675.db2.gz IYUXIIPHFKCYSX-CYBMUJFWSA-N -1 0 362.867 4.175 20 30 FIEDRM Cc1cc(F)ccc1-n1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)n1 ZINC000183024125 1125722787 /nfs/dbraw/zinc/72/27/87/1125722787.db2.gz PQXQEYNJPYVDEK-CQSZACIVSA-N -1 0 368.437 4.390 20 30 FIEDRM O=C(Cc1c(F)cccc1Cl)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000042301883 1079806988 /nfs/dbraw/zinc/80/69/88/1079806988.db2.gz LLSGMJNFNKMXNY-UHFFFAOYSA-N -1 0 362.209 4.020 20 30 FIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)c1 ZINC000187038353 1079880896 /nfs/dbraw/zinc/88/08/96/1079880896.db2.gz ADIHPEZOYRHETO-UHFFFAOYSA-N -1 0 369.833 4.074 20 30 FIEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(-c3ccccc3Cl)s2)C(=O)O1 ZINC000255029099 1080426664 /nfs/dbraw/zinc/42/66/64/1080426664.db2.gz IDXNCPSHIMUNMW-XOWYPZSQSA-N -1 0 372.829 4.297 20 30 FIEDRM Cc1cccc(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)c1F ZINC000180510501 1080505484 /nfs/dbraw/zinc/50/54/84/1080505484.db2.gz JNLWMXRMJQLYGD-CYBMUJFWSA-N -1 0 364.467 4.329 20 30 FIEDRM N#CC(=C([O-])C=Cc1cccnc1)c1nc(-c2c(F)cccc2F)cs1 ZINC000120910624 1081008531 /nfs/dbraw/zinc/00/85/31/1081008531.db2.gz NFDSHSZKEVWRPG-KTRBRXNASA-N -1 0 367.380 4.373 20 30 FIEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1ccc(OC(F)F)cc1 ZINC000121034335 1081225525 /nfs/dbraw/zinc/22/55/25/1081225525.db2.gz CEXVREOFIXDUAP-OAHLLOKOSA-N -1 0 368.339 4.283 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCC(=O)c1ccc(C)cc1 ZINC000121037024 1081226316 /nfs/dbraw/zinc/22/63/16/1081226316.db2.gz JZPMABCDBSKGJG-GOSISDBHSA-N -1 0 372.424 4.339 20 30 FIEDRM C=CCC[C@H](NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655873195 1081287254 /nfs/dbraw/zinc/28/72/54/1081287254.db2.gz TZEPCAUTIQNWBS-OWLYRPNTSA-N -1 0 358.482 4.129 20 30 FIEDRM Cc1[nH]c2ccccc2c1CC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000121072202 1081364924 /nfs/dbraw/zinc/36/49/24/1081364924.db2.gz SHVJTKWUGKPINJ-SFHVURJKSA-N -1 0 369.424 4.400 20 30 FIEDRM COc1cc(/C=C2/CCc3cc(SC)ccc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000748146506 1081572787 /nfs/dbraw/zinc/57/27/87/1081572787.db2.gz IYJBDSWKSAHDCX-QPEQYQDCSA-N -1 0 371.414 4.243 20 30 FIEDRM O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000748146589 1081573797 /nfs/dbraw/zinc/57/37/97/1081573797.db2.gz KRZGZVBQXIDNOT-UITAMQMPSA-N -1 0 370.380 4.326 20 30 FIEDRM Cc1ccc([N+](=O)[O-])c(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)c1 ZINC000610387394 1081627368 /nfs/dbraw/zinc/62/73/68/1081627368.db2.gz LXJZELHAFVWALV-GFCCVEGCSA-N -1 0 355.350 4.142 20 30 FIEDRM O=C([N-]S(=O)(=O)c1ccccc1Cl)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000050205038 1081921631 /nfs/dbraw/zinc/92/16/31/1081921631.db2.gz PJYHBGOWFJTASH-CHWSQXEVSA-N -1 0 370.257 4.442 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3conc3C3CC3)n2)cc1 ZINC000580805269 1082147142 /nfs/dbraw/zinc/14/71/42/1082147142.db2.gz PTMPZKSWPSHZAZ-CQSZACIVSA-N -1 0 365.414 4.174 20 30 FIEDRM O=C(C1CCCCC1)N1CC[C@H](/N=C\c2cc(Cl)cc(Cl)c2[O-])C1 ZINC000255267245 1082313477 /nfs/dbraw/zinc/31/34/77/1082313477.db2.gz KEIVLXJTLOWAQP-UNUHRMFVSA-N -1 0 369.292 4.299 20 30 FIEDRM Cn1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c(-c2ccccc2)n1 ZINC000430593296 1082544646 /nfs/dbraw/zinc/54/46/46/1082544646.db2.gz ORRVHJIIOYBETO-AWEZNQCLSA-N -1 0 364.474 4.331 20 30 FIEDRM CCC(=O)Nc1cccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430602996 1082573090 /nfs/dbraw/zinc/57/30/90/1082573090.db2.gz XJQBORPATGRYKI-AWEZNQCLSA-N -1 0 355.463 4.279 20 30 FIEDRM CC[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1nc(C(F)(F)F)cs1 ZINC000075078396 1082702702 /nfs/dbraw/zinc/70/27/02/1082702702.db2.gz QYDMMTBVOMGARY-UTUJXRGNSA-N -1 0 359.329 4.346 20 30 FIEDRM Cc1c(C[S@@](C)=O)cccc1N=Cc1cc(Br)ccc1O ZINC000255384528 1083010819 /nfs/dbraw/zinc/01/08/19/1083010819.db2.gz ASTDXWHFGCCPFF-OAQYLSRUSA-N -1 0 366.280 4.092 20 30 FIEDRM COc1cccc([C@@H](C)CC(=O)[N-]S(=O)(=O)C=Cc2ccccc2)c1 ZINC000084692275 1083033049 /nfs/dbraw/zinc/03/30/49/1083033049.db2.gz WJPILFUVUIWYIO-RUMSDORHSA-N -1 0 359.447 4.146 20 30 FIEDRM COc1cccc(C(C)=CC(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)c1 ZINC000176083336 1083262717 /nfs/dbraw/zinc/26/27/17/1083262717.db2.gz XNEBMNOLOQTLGA-FIIODCPWSA-N -1 0 372.424 4.480 20 30 FIEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\Cc2ncc(-c3ccccc3)cn2)c1[O-] ZINC000588460223 1083329819 /nfs/dbraw/zinc/32/98/19/1083329819.db2.gz ULYXWVRBRKBSFC-ZBKNUEDVSA-N -1 0 368.780 4.030 20 30 FIEDRM C[C@@H]1C[C@H]1C(=O)Nc1cccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1 ZINC000647377244 1083361588 /nfs/dbraw/zinc/36/15/88/1083361588.db2.gz ZPYVNHHVIIEIBI-HFBAOOFYSA-N -1 0 365.458 4.105 20 30 FIEDRM N#CC(=C([O-])c1csc(Br)c1)c1nc(C2CC2)cs1 ZINC000647376916 1083362260 /nfs/dbraw/zinc/36/22/60/1083362260.db2.gz DEKIGJQDOWHWAK-SECBINFHSA-N -1 0 353.266 4.335 20 30 FIEDRM CC(C)Oc1ncc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1Cl ZINC000647378746 1083368919 /nfs/dbraw/zinc/36/89/19/1083368919.db2.gz WSKOHBDTRVRALT-LBPRGKRZSA-N -1 0 361.854 4.346 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c2cnn(C(C)C)c2n1 ZINC000647378806 1083369003 /nfs/dbraw/zinc/36/90/03/1083369003.db2.gz BSDUPWOFQFPGHB-AWEZNQCLSA-N -1 0 365.462 4.145 20 30 FIEDRM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]c1cccc(C#N)c1C ZINC000431197011 1083506466 /nfs/dbraw/zinc/50/64/66/1083506466.db2.gz NQWMDBYKQRBZDD-UHFFFAOYSA-N -1 0 360.822 4.376 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)cc1[O-] ZINC000188407388 1083549075 /nfs/dbraw/zinc/54/90/75/1083549075.db2.gz WUPXWDLJDTZXEF-UHFFFAOYSA-N -1 0 370.714 4.111 20 30 FIEDRM N#CC(=C([O-])c1cccc(C#N)n1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000685784375 1083915098 /nfs/dbraw/zinc/91/50/98/1083915098.db2.gz DAIMIOVDZFOMPL-CQSZACIVSA-N -1 0 364.817 4.220 20 30 FIEDRM CCCCS(=O)(=O)[N-]C(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000066504128 1084567296 /nfs/dbraw/zinc/56/72/96/1084567296.db2.gz POGOFRCXPVATQR-LLVKDONJSA-N -1 0 351.390 4.285 20 30 FIEDRM C=CCN(C(=O)Nc1cccc(SC)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000684744860 1084591192 /nfs/dbraw/zinc/59/11/92/1084591192.db2.gz HUOTXRNFOBDRBE-SFHVURJKSA-N -1 0 370.474 4.124 20 30 FIEDRM CCc1cc(C([O-])=C(C#N)c2nc3cc(C(F)(F)F)ccc3s2)n[nH]1 ZINC000613404390 1084699245 /nfs/dbraw/zinc/69/92/45/1084699245.db2.gz LKGYSVSHYQDZJV-JTQLQIEISA-N -1 0 364.352 4.091 20 30 FIEDRM CN(C)C(=O)c1cccc(CC/N=C\c2cc(Cl)cc(Cl)c2[O-])c1 ZINC000255896095 1084905245 /nfs/dbraw/zinc/90/52/45/1084905245.db2.gz JGVNHDLSKYGGEZ-NHDPSOOVSA-N -1 0 365.260 4.062 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1C ZINC000048474590 1085000617 /nfs/dbraw/zinc/00/06/17/1085000617.db2.gz OSQOQUOMBVOYPL-CHWSQXEVSA-N -1 0 363.401 4.317 20 30 FIEDRM C=C[C@@H](CC(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C)c1ccccc1 ZINC000431446662 1085120896 /nfs/dbraw/zinc/12/08/96/1085120896.db2.gz CQDFHWUIPJGUPD-HNNXBMFYSA-N -1 0 353.418 4.470 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)ccn1C ZINC000684948499 1085285671 /nfs/dbraw/zinc/28/56/71/1085285671.db2.gz MNEOXKVSDXYNEV-GFCCVEGCSA-N -1 0 357.385 4.225 20 30 FIEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)CCCOc1ccccc1Cl ZINC000051896541 1085703307 /nfs/dbraw/zinc/70/33/07/1085703307.db2.gz WBKYYTOKSNZVSK-UHFFFAOYSA-N -1 0 367.854 4.153 20 30 FIEDRM N#CC(=C([O-])c1c[nH]c2cc([N+](=O)[O-])ccc21)c1nc2ccccc2s1 ZINC000048823421 1085706066 /nfs/dbraw/zinc/70/60/66/1085706066.db2.gz BRKRJBJMNRYTGN-LBPRGKRZSA-N -1 0 362.370 4.176 20 30 FIEDRM COc1ccc2[nH]cc(C(=O)/C=C\c3cccc(C(=O)[O-])c3Cl)c2c1 ZINC000588559382 1085946110 /nfs/dbraw/zinc/94/61/10/1085946110.db2.gz DHJZSVSRESCLER-YVMONPNESA-N -1 0 355.777 4.424 20 30 FIEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1ccc(Cl)c(F)c1 ZINC000161898026 1086979488 /nfs/dbraw/zinc/97/94/88/1086979488.db2.gz CWISBHIPGHVXDT-CYBMUJFWSA-N -1 0 354.768 4.474 20 30 FIEDRM Cc1ccc(-c2n[n-]c(=NCc3ccc(C#N)cc3C(F)(F)F)o2)s1 ZINC000584086056 1087165967 /nfs/dbraw/zinc/16/59/67/1087165967.db2.gz PPQVVEDWLGNTDP-UHFFFAOYSA-N -1 0 364.352 4.031 20 30 FIEDRM CSc1ccccc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1C#N ZINC000584155138 1087194618 /nfs/dbraw/zinc/19/46/18/1087194618.db2.gz CKCDTUFLEKLWFD-UHFFFAOYSA-N -1 0 372.393 4.100 20 30 FIEDRM COc1ccc(C(=O)N(C)C)cc1N=Cc1cc(Cl)cc(Cl)c1[O-] ZINC000255591961 1087355035 /nfs/dbraw/zinc/35/50/35/1087355035.db2.gz CJDFPGLZPUIOCY-UHFFFAOYSA-N -1 0 367.232 4.160 20 30 FIEDRM Cc1cc(C(=O)[O-])ccc1Nc1c(C#N)cnn1-c1cccc(Cl)c1 ZINC001211618856 1087371957 /nfs/dbraw/zinc/37/19/57/1087371957.db2.gz UZXTVUQWGJJVPB-UHFFFAOYSA-N -1 0 352.781 4.148 20 30 FIEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1ccc(C2CC2)nc1C ZINC000892424964 1087784646 /nfs/dbraw/zinc/78/46/46/1087784646.db2.gz UJZXKUNUVXNMPH-QGZVFWFLSA-N -1 0 357.413 4.263 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C)n1C1CCOCC1 ZINC000659055001 1087980406 /nfs/dbraw/zinc/98/04/06/1087980406.db2.gz FHHVVNWELGKASD-QGZVFWFLSA-N -1 0 363.417 4.088 20 30 FIEDRM N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2c([O-])cccc2Cl)n1 ZINC000782841299 1088233479 /nfs/dbraw/zinc/23/34/79/1088233479.db2.gz AEVWPIFAROYQEO-UHFFFAOYSA-N -1 0 373.199 4.009 20 30 FIEDRM Cc1nnc(-c2ccccc2C([O-])=C(C#N)c2nc3ccccc3s2)o1 ZINC000505311535 1088345739 /nfs/dbraw/zinc/34/57/39/1088345739.db2.gz LQFGMNDJFCVOGQ-AWEZNQCLSA-N -1 0 360.398 4.145 20 30 FIEDRM C=CCC[C@H](NC(=O)N(C)CCCC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000414635016 1088913200 /nfs/dbraw/zinc/91/32/00/1088913200.db2.gz ZIMNXSYNGXINOP-HNNXBMFYSA-N -1 0 372.387 4.219 20 30 FIEDRM C=CCN=c1[n-]nc(SCc2csc(C3CCCCC3)n2)s1 ZINC000643090974 1089134582 /nfs/dbraw/zinc/13/45/82/1089134582.db2.gz KBUBJYHBSIXNER-UHFFFAOYSA-N -1 0 352.554 4.354 20 30 FIEDRM C[C@@H]1CCc2onc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)c2C1 ZINC000514651774 1089309496 /nfs/dbraw/zinc/30/94/96/1089309496.db2.gz GETODMREKPZMKH-ZYHUDNBSSA-N -1 0 370.359 4.034 20 30 FIEDRM CC(=O)[C@H](C)CCCCC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000122484132 1089452228 /nfs/dbraw/zinc/45/22/28/1089452228.db2.gz OMGSNBAQUTWKFP-CXAGYDPISA-N -1 0 352.434 4.153 20 30 FIEDRM CC(=O)c1ncc(C(=O)Nc2sc3c(c2C#N)[C@@H](C)[C@H](C)CC3)s1 ZINC000415742115 1089884315 /nfs/dbraw/zinc/88/43/15/1089884315.db2.gz ZYGAJEQZFDHNFE-BDAKNGLRSA-N -1 0 359.476 4.217 20 30 FIEDRM Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C([O-])=C(C#N)c1ccncn1 ZINC000435768663 1089927139 /nfs/dbraw/zinc/92/71/39/1089927139.db2.gz RKNBDRGSWUVBRV-LLVKDONJSA-N -1 0 373.199 4.237 20 30 FIEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(Cl)ccc1SCC(F)(F)F ZINC000416958240 1090599597 /nfs/dbraw/zinc/59/95/97/1090599597.db2.gz OWAPEOWUYVIINO-SECBINFHSA-N -1 0 372.821 4.038 20 30 FIEDRM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3csc(C4CCCCC4)n3)nc1-2 ZINC000584712248 1090766188 /nfs/dbraw/zinc/76/61/88/1090766188.db2.gz IHQMUEWXJXZMEW-ZDUSSCGKSA-N -1 0 365.462 4.261 20 30 FIEDRM Cc1c(Cl)c(C#N)ccc1Nc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC001213194247 1092053633 /nfs/dbraw/zinc/05/36/33/1092053633.db2.gz HHMUHDMVMYRQEC-UHFFFAOYSA-N -1 0 357.797 4.067 20 30 FIEDRM Cc1nc(-c2ccccc2)sc1C([O-])=C(C#N)c1nc2[nH]ccc(C)c-2n1 ZINC000429579555 1092336674 /nfs/dbraw/zinc/33/66/74/1092336674.db2.gz MDEOHFJSFPAWIS-AWEZNQCLSA-N -1 0 373.441 4.188 20 30 FIEDRM C=CCC[C@@H](N=c1nc(COC)[n-]s1)c1ccc(C(F)(F)F)cc1 ZINC000441964582 1092363763 /nfs/dbraw/zinc/36/37/63/1092363763.db2.gz INFMYYCIHAUIJK-CYBMUJFWSA-N -1 0 357.401 4.245 20 30 FIEDRM Cn1c(C(C#N)=C([O-])c2ncccc2Oc2ccccc2)nc2ccccc21 ZINC000442023105 1092388543 /nfs/dbraw/zinc/38/85/43/1092388543.db2.gz BWZDSSBWILWUNJ-INIZCTEOSA-N -1 0 368.396 4.251 20 30 FIEDRM Cn1c(C(C#N)=C([O-])c2ncccc2Oc2ccccc2)nc2ccccc21 ZINC000442023109 1092388921 /nfs/dbraw/zinc/38/89/21/1092388921.db2.gz BWZDSSBWILWUNJ-MRXNPFEDSA-N -1 0 368.396 4.251 20 30 FIEDRM Cn1c2ccccc2nc1-c1cccc(NC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000442949783 1092869834 /nfs/dbraw/zinc/86/98/34/1092869834.db2.gz XEAQCFDKKXVPTO-UHFFFAOYSA-N -1 0 368.396 4.070 20 30 FIEDRM C=C[C@@H](CC(=O)Nc1ccc(OCCCC(=O)[O-])cc1)c1ccccc1 ZINC000191080107 1092985400 /nfs/dbraw/zinc/98/54/00/1092985400.db2.gz XCHYNVUVJJJSEY-INIZCTEOSA-N -1 0 353.418 4.229 20 30 FIEDRM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccccc1Br ZINC000443422455 1093118497 /nfs/dbraw/zinc/11/84/97/1093118497.db2.gz JYMCFSFOQHLHIQ-UHFFFAOYSA-N -1 0 366.280 4.369 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2csc(Nc3ccccn3)n2)n1 ZINC000474442995 1093790642 /nfs/dbraw/zinc/79/06/42/1093790642.db2.gz BEQHMDMXZFDWPG-NSHDSACASA-N -1 0 369.475 4.352 20 30 FIEDRM N#CC(=C([O-])c1ccc(C#N)o1)c1nc(-c2c(F)cccc2F)cs1 ZINC000429690951 1093797088 /nfs/dbraw/zinc/79/70/88/1093797088.db2.gz ATLWAVFVOBNOOY-SNVBAGLBSA-N -1 0 355.325 4.043 20 30 FIEDRM N#CCc1ccc([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)cc1 ZINC000433526062 1093887559 /nfs/dbraw/zinc/88/75/59/1093887559.db2.gz UBDMPVDNNSJXJA-UHFFFAOYSA-N -1 0 362.863 4.422 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2coc3cc(C)c(C)cc32)n1 ZINC000473521986 1093991448 /nfs/dbraw/zinc/99/14/48/1093991448.db2.gz KUBXYOXSZFMNNW-CYBMUJFWSA-N -1 0 368.414 4.173 20 30 FIEDRM CSc1ccc(C([O-])=C(C#N)c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000513652911 1094255478 /nfs/dbraw/zinc/25/54/78/1094255478.db2.gz CCSPTRRRIXHWRB-NSHDSACASA-N -1 0 369.427 4.416 20 30 FIEDRM Cc1nc(-c2ccccc2)sc1C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000041496120 1094620090 /nfs/dbraw/zinc/62/00/90/1094620090.db2.gz HBWKIMSAFXOINF-AWEZNQCLSA-N -1 0 358.426 4.485 20 30 FIEDRM COC(=O)c1ccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cc1 ZINC000041537512 1094646377 /nfs/dbraw/zinc/64/63/77/1094646377.db2.gz XYUMLGJYKWNUKH-MRXNPFEDSA-N -1 0 362.410 4.087 20 30 FIEDRM COc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)ccc1OCC(C)C ZINC000041546612 1094649285 /nfs/dbraw/zinc/64/92/85/1094649285.db2.gz GEDUCTZXYVHVDZ-HNNXBMFYSA-N -1 0 364.401 4.361 20 30 FIEDRM Cc1nn(-c2cccc(F)c2)cc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000420266888 1094845462 /nfs/dbraw/zinc/84/54/62/1094845462.db2.gz CPDHBXVXVQHEAI-OAHLLOKOSA-N -1 0 368.437 4.390 20 30 FIEDRM Cc1cc(C)c([N+](=O)[O-])cc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000422117992 1096088890 /nfs/dbraw/zinc/08/88/90/1096088890.db2.gz HGLVTJJRWMXWIE-CYBMUJFWSA-N -1 0 357.435 4.456 20 30 FIEDRM Cc1ccc(-c2nnc([N-]C(=O)c3c(F)cc(C#N)cc3F)s2)c(C)c1 ZINC000127689348 1099484334 /nfs/dbraw/zinc/48/43/34/1099484334.db2.gz BFPVJEQJTLPLII-UHFFFAOYSA-N -1 0 370.384 4.224 20 30 FIEDRM N#Cc1cc(NC(=O)c2cc(F)cc3n[nH]nc32)ccc1Oc1ccccc1 ZINC000505992638 1099707586 /nfs/dbraw/zinc/70/75/86/1099707586.db2.gz YSLUUZOKRCVEPU-UHFFFAOYSA-N -1 0 373.347 4.013 20 30 FIEDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)CC(C)(C)c2ccccc2)cc1 ZINC000067784572 1099992311 /nfs/dbraw/zinc/99/23/11/1099992311.db2.gz ONMXJBFBOYTMSR-UHFFFAOYSA-N -1 0 361.463 4.098 20 30 FIEDRM Cc1ccncc1C([O-])=C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000426182110 1100957976 /nfs/dbraw/zinc/95/79/76/1100957976.db2.gz GHJJCWGDXFOCHT-LLVKDONJSA-N -1 0 355.369 4.282 20 30 FIEDRM N#Cc1ccc(Oc2cccc([N-]S(=O)(=O)c3ccsc3)c2)cc1 ZINC000506601110 1101511148 /nfs/dbraw/zinc/51/11/48/1101511148.db2.gz JDXYEECFKNXHFD-UHFFFAOYSA-N -1 0 356.428 4.213 20 30 FIEDRM Cc1ocnc1C([O-])=C(C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000519248910 1102043416 /nfs/dbraw/zinc/04/34/16/1102043416.db2.gz MTVHOJAUJWNUMI-XACAWQSSSA-N -1 0 367.474 4.397 20 30 FIEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)CC1(C(=O)[O-])CCCCCC1 ZINC000138253822 1102141141 /nfs/dbraw/zinc/14/11/41/1102141141.db2.gz IZPYFPYQDCJYLK-UHFFFAOYSA-N -1 0 358.438 4.099 20 30 FIEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1csc(Cc2ccccc2)n1 ZINC000122091810 1102516647 /nfs/dbraw/zinc/51/66/47/1102516647.db2.gz GFCBQINMBLLHLI-OAHLLOKOSA-N -1 0 372.453 4.111 20 30 FIEDRM COc1ncc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cc1Cl ZINC000551506360 1103305058 /nfs/dbraw/zinc/30/50/58/1103305058.db2.gz HYOGSVJCTSEELF-ZDUSSCGKSA-N -1 0 369.833 4.357 20 30 FIEDRM CC(C)(C)c1csc(NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)c1C#N ZINC000427440920 1103553440 /nfs/dbraw/zinc/55/34/40/1103553440.db2.gz GRBWKALAQDEBKP-HXUWFJFHSA-N -1 0 370.474 4.288 20 30 FIEDRM CC(C)(C)C1CCC(C#N)(NC(=O)c2cc(F)c(F)c([O-])c2F)CC1 ZINC000183903627 1105078415 /nfs/dbraw/zinc/07/84/15/1105078415.db2.gz IBWOQPRGTVYKCW-UHFFFAOYSA-N -1 0 354.372 4.038 20 30 FIEDRM C=CCCCS(=O)(=O)[N-]c1nc(-c2ccc(SC)cc2)cs1 ZINC000427746633 1105265121 /nfs/dbraw/zinc/26/51/21/1105265121.db2.gz ICNVIZJDSYBVLZ-UHFFFAOYSA-N -1 0 354.522 4.240 20 30 FIEDRM Cc1csc(S(=O)(=O)[N-]c2ccccc2S[C@H](C)CC#N)c1 ZINC000451014448 1106892813 /nfs/dbraw/zinc/89/28/13/1106892813.db2.gz LTJABMFFSJXSBF-GFCCVEGCSA-N -1 0 352.506 4.252 20 30 FIEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000609984736 1107849289 /nfs/dbraw/zinc/84/92/89/1107849289.db2.gz ZYJNLIDQEUSWFP-UHFFFAOYSA-N -1 0 360.744 4.031 20 30 FIEDRM CCOCc1nc(C)c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)s1 ZINC000453781242 1108735137 /nfs/dbraw/zinc/73/51/37/1108735137.db2.gz RNMGWNYMRGHVCL-NSHDSACASA-N -1 0 363.508 4.232 20 30 FIEDRM C[C@@H](Sc1n[n-]c(=NCc2ccc(F)cc2)s1)c1ccc(C#N)cc1 ZINC000524025463 1108743763 /nfs/dbraw/zinc/74/37/63/1108743763.db2.gz LANWAURRFGPEJX-GFCCVEGCSA-N -1 0 370.478 4.436 20 30 FIEDRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N[C@H](C)c3ccc(C#N)cc3)n2)cc1 ZINC000525235677 1109314861 /nfs/dbraw/zinc/31/48/61/1109314861.db2.gz UDCONOJBBXFPLI-OAHLLOKOSA-N -1 0 374.444 4.064 20 30 FIEDRM N#Cc1ccc(CSc2n[n-]c(=NCc3ccccc3Cl)s2)cc1 ZINC000447967265 1109683380 /nfs/dbraw/zinc/68/33/80/1109683380.db2.gz VDMUCQAAEMSKJW-UHFFFAOYSA-N -1 0 372.906 4.389 20 30 FIEDRM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(CCC#N)CC(C)(C)C)n2)cc1 ZINC000477777541 1111291295 /nfs/dbraw/zinc/29/12/95/1111291295.db2.gz QLWJMLKWZWMMIL-UHFFFAOYSA-N -1 0 368.481 4.103 20 30 FIEDRM Cc1[nH]c(-c2cccc(C(F)(F)F)c2)nc1C([O-])=C(C#N)c1ccccn1 ZINC000538980990 1111371862 /nfs/dbraw/zinc/37/18/62/1111371862.db2.gz UTQMCDSBKOJYSH-AWEZNQCLSA-N -1 0 370.334 4.289 20 30 FIEDRM Cn1ccc(C([O-])=C(C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1 ZINC000477871073 1111591790 /nfs/dbraw/zinc/59/17/90/1111591790.db2.gz BPHTVUAPJPUKBO-BFKIHDCISA-N -1 0 365.502 4.439 20 30 FIEDRM Cc1nc(-c2cccs2)sc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000041562621 1111668938 /nfs/dbraw/zinc/66/89/38/1111668938.db2.gz KFVGFIGFSJMRJV-GFCCVEGCSA-N -1 0 354.460 4.077 20 30 FIEDRM Cn1cc(/C=C(\CCCC(=O)[O-])c2nc3ccccc3s2)cc1C#N ZINC000478925804 1111919467 /nfs/dbraw/zinc/91/94/67/1111919467.db2.gz UOJGCRNGPZKCKL-NTEUORMPSA-N -1 0 351.431 4.302 20 30 FIEDRM CCSc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000479495900 1112046266 /nfs/dbraw/zinc/04/62/66/1112046266.db2.gz KZHOLGFDXFAZNW-UHFFFAOYSA-N -1 0 352.868 4.124 20 30 FIEDRM CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1 ZINC000479508444 1112051125 /nfs/dbraw/zinc/05/11/25/1112051125.db2.gz FUBLLVSLNIODKC-UHFFFAOYSA-N -1 0 364.854 4.190 20 30 FIEDRM CC(C)(C)c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1O ZINC000479533068 1112059422 /nfs/dbraw/zinc/05/94/22/1112059422.db2.gz RCPFJBBTYFSTKQ-UHFFFAOYSA-N -1 0 364.854 4.016 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cnc(-c3ccncc3)s2)s1 ZINC000555698270 1112969620 /nfs/dbraw/zinc/96/96/20/1112969620.db2.gz UAGUBKOIWPOGKW-GFCCVEGCSA-N -1 0 368.487 4.449 20 30 FIEDRM N#Cc1ccc([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)cc1F ZINC000557546058 1113185035 /nfs/dbraw/zinc/18/50/35/1113185035.db2.gz BBENWGHILVRZNO-UHFFFAOYSA-N -1 0 360.797 4.305 20 30 FIEDRM N#CC(=C([O-])c1cc2cc([N+](=O)[O-])ccc2o1)c1nccc2ccccc21 ZINC000483192180 1113464128 /nfs/dbraw/zinc/46/41/28/1113464128.db2.gz CMERBWFRQPWKQI-MRXNPFEDSA-N -1 0 357.325 4.379 20 30 FIEDRM Cc1oc(-c2ccccc2)nc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000483224336 1113464645 /nfs/dbraw/zinc/46/46/45/1113464645.db2.gz XINKEHOEZUYJDG-OAHLLOKOSA-N -1 0 354.369 4.083 20 30 FIEDRM Cc1ccccc1-n1cc(C([O-])=C(C#N)c2nccc3ccccc32)cn1 ZINC000483225912 1113465111 /nfs/dbraw/zinc/46/51/11/1113465111.db2.gz FZDPYQCAORFGRR-IBGZPJMESA-N -1 0 352.397 4.219 20 30 FIEDRM C=CCOc1ccc(/C=C\c2nc(C(=O)[O-])c(Br)s2)cc1 ZINC000486025135 1113490733 /nfs/dbraw/zinc/49/07/33/1113490733.db2.gz IGSOPTGZAYGKQV-YVMONPNESA-N -1 0 366.236 4.339 20 30 FIEDRM O=C1c2cc(Cl)cc(Cl)c2OC/C1=C\c1ccc([O-])c([N+](=O)[O-])c1 ZINC000912858949 1114231722 /nfs/dbraw/zinc/23/17/22/1114231722.db2.gz MFUVKRHOTUMXMA-YCRREMRBSA-N -1 0 366.156 4.266 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2csc([C@@H]3CCCO3)n2)s1 ZINC000571235955 1114449610 /nfs/dbraw/zinc/44/96/10/1114449610.db2.gz QMPQDDQOIWLTIC-JQWIXIFHSA-N -1 0 361.492 4.239 20 30 FIEDRM Cc1cccc2sc(C(=O)N=c3[nH][n-]c(C4CC4)c3C#N)c(Cl)c21 ZINC000588768547 1114618961 /nfs/dbraw/zinc/61/89/61/1114618961.db2.gz FZEJFRDVLJGECM-UHFFFAOYSA-N -1 0 356.838 4.010 20 30 FIEDRM COc1ccccc1-c1nc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cs1 ZINC000057740288 1114990712 /nfs/dbraw/zinc/99/07/12/1114990712.db2.gz CCQPFTSZMHUARZ-ZDUSSCGKSA-N -1 0 374.425 4.185 20 30 FIEDRM N#CC(=C([O-])c1cc2c(s1)CCOC2)c1nc2cc(F)ccc2s1 ZINC000592973414 1115272301 /nfs/dbraw/zinc/27/23/01/1115272301.db2.gz FUHHYWVCGGLKDZ-NSHDSACASA-N -1 0 358.419 4.060 20 30 FIEDRM N#CC(=C([O-])c1ccc(Br)o1)c1nc2cc(F)ccc2s1 ZINC000592974342 1115272888 /nfs/dbraw/zinc/27/28/88/1115272888.db2.gz UIOREVDBERMDEB-QMMMGPOBSA-N -1 0 365.183 4.281 20 30 FIEDRM CCCc1nc(C)c([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)s1 ZINC000593211198 1115307301 /nfs/dbraw/zinc/30/73/01/1115307301.db2.gz QFGVVQWLFDIKFM-UHFFFAOYSA-N -1 0 363.508 4.006 20 30 FIEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)s1)c1cccc(Cl)c1Cl ZINC000046928715 1115549198 /nfs/dbraw/zinc/54/91/98/1115549198.db2.gz GJSDWJVKFAUKPQ-UHFFFAOYSA-N -1 0 370.666 4.402 20 30 FIEDRM CSc1[n-]c(=O)c(C(=O)Nc2nc(C3CCCCC3)cs2)cc1C#N ZINC000601699169 1115660220 /nfs/dbraw/zinc/66/02/20/1115660220.db2.gz ALFGGQUZYKJTSA-UHFFFAOYSA-N -1 0 374.491 4.137 20 30 FIEDRM C[C@@H]1CCc2sc([N-]C(=O)c3ocnc3C(F)F)c(C#N)c2[C@H]1C ZINC000602344914 1115698226 /nfs/dbraw/zinc/69/82/26/1115698226.db2.gz XJODDDFHHXGHFG-SFYZADRCSA-N -1 0 351.378 4.483 20 30 FIEDRM C[C@H]1Cc2c(C#N)c([N-]C(=O)c3ocnc3C(F)F)sc2[C@H](C)C1 ZINC000602342932 1115699731 /nfs/dbraw/zinc/69/97/31/1115699731.db2.gz NIUKIMYZVVXSLB-HTQZYQBOSA-N -1 0 351.378 4.483 20 30 FIEDRM Cc1nc(C(C)(C)C)sc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1 ZINC000605363675 1115891341 /nfs/dbraw/zinc/89/13/41/1115891341.db2.gz YLSAWPLNSFYGLD-GFCCVEGCSA-N -1 0 352.463 4.424 20 30 FIEDRM CC(C)NC(=O)C(C#N)=C([O-])c1ccc(-c2ccc(C(C)(C)C)cc2)o1 ZINC000173982769 1116105093 /nfs/dbraw/zinc/10/50/93/1116105093.db2.gz XQDLLTBEENEAFM-MRXNPFEDSA-N -1 0 352.434 4.091 20 30 FIEDRM Cc1cc(-c2csc(NC(=O)c3ccc(C#N)c([O-])c3)n2)ccc1F ZINC000443281614 1117869517 /nfs/dbraw/zinc/86/95/17/1117869517.db2.gz GQWKCEQGMCZEPX-UHFFFAOYSA-N -1 0 353.378 4.087 20 30 FIEDRM CO[C@H](C)c1nc(C)c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)s1 ZINC000464426564 1118561281 /nfs/dbraw/zinc/56/12/81/1118561281.db2.gz NMSTXGCJAGWSNN-MWLCHTKSSA-N -1 0 369.368 4.063 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cnn1-c1ccccc1 ZINC000464426726 1118561375 /nfs/dbraw/zinc/56/13/75/1118561375.db2.gz KGHIXYPPIQLARP-OAHLLOKOSA-N -1 0 370.334 4.085 20 30 FIEDRM CC[C@H](C)n1nc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cc1C ZINC000464466917 1118572342 /nfs/dbraw/zinc/57/23/42/1118572342.db2.gz MIFNNNSSLHBDSV-GXFFZTMASA-N -1 0 350.344 4.066 20 30 FIEDRM CC(C)Cc1nc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cs1 ZINC000464469974 1118573466 /nfs/dbraw/zinc/57/34/66/1118573466.db2.gz UWPGABGRBAHBKQ-NSHDSACASA-N -1 0 353.369 4.245 20 30 FIEDRM N#CCc1ccc(CSc2n[n-]c(=Nc3ccccc3F)s2)cc1 ZINC000542223354 1118857411 /nfs/dbraw/zinc/85/74/11/1118857411.db2.gz LFVPRPAAYDLJAF-UHFFFAOYSA-N -1 0 356.451 4.201 20 30 FIEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1ccc(Cl)nc1Cl)CC2 ZINC000761477614 1119159128 /nfs/dbraw/zinc/15/91/28/1119159128.db2.gz OAYSULRDXDTZPQ-VURMDHGXSA-N -1 0 352.173 4.201 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3nc(C)sc3C)n2)cc1 ZINC000178731559 1119405085 /nfs/dbraw/zinc/40/50/85/1119405085.db2.gz WZUGDAAVTLUQEQ-AWEZNQCLSA-N -1 0 369.471 4.382 20 30 FIEDRM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]c1ccc(C#N)cc1F ZINC000493336612 1119443147 /nfs/dbraw/zinc/44/31/47/1119443147.db2.gz NQDYHSJYTIUNNB-UHFFFAOYSA-N -1 0 364.785 4.206 20 30 FIEDRM Cc1cc(Br)cc(C([O-])=C(C#N)c2nc3ccccc3o2)c1 ZINC000184293010 1119602159 /nfs/dbraw/zinc/60/21/59/1119602159.db2.gz BOXTWNLMKHJRPC-ZDUSSCGKSA-N -1 0 355.191 4.389 20 30 FIEDRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccccc1S[C@@H](C)CC#N ZINC000186989707 1119760573 /nfs/dbraw/zinc/76/05/73/1119760573.db2.gz WAUGEJRYEJPKEQ-ZDUSSCGKSA-N -1 0 364.467 4.329 20 30 FIEDRM Cc1c(Br)scc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000187237702 1119774036 /nfs/dbraw/zinc/77/40/36/1119774036.db2.gz VFQBKTXANKIEBT-SECBINFHSA-N -1 0 361.220 4.450 20 30 FIEDRM N#CC(=C([O-])c1ccn(C2CCCC2)n1)c1nc(-c2ccncc2)cs1 ZINC000123297759 1119812424 /nfs/dbraw/zinc/81/24/24/1119812424.db2.gz FFJTXHBXFVBLHP-OAHLLOKOSA-N -1 0 363.446 4.007 20 30 FIEDRM N#CC(=C([O-])c1ccc(OCc2ccccc2)nc1)c1nc2ccccc2o1 ZINC000194681381 1120292589 /nfs/dbraw/zinc/29/25/89/1120292589.db2.gz ISLSDPKJAHWUSY-QGZVFWFLSA-N -1 0 369.380 4.292 20 30 FIEDRM COc1ccc(Br)cc1/C=C\C(=O)c1ccc(C(=O)[O-])s1 ZINC000213229300 1120474218 /nfs/dbraw/zinc/47/42/18/1120474218.db2.gz AKJYVJORTSKWRP-RQOWECAXSA-N -1 0 367.220 4.114 20 30 FIEDRM CC1(C)c2ccc(C([O-])=C(C#N)c3nc4ccccc4s3)cc2NC1=O ZINC000495289915 1120631102 /nfs/dbraw/zinc/63/11/02/1120631102.db2.gz BTUUTQGLDIMCMD-GFCCVEGCSA-N -1 0 361.426 4.016 20 30 FIEDRM COc1cccc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)c1OC(C)C ZINC000915106668 1120815389 /nfs/dbraw/zinc/81/53/89/1120815389.db2.gz SXEPOLHGNQDAQM-QXMHVHEDSA-N -1 0 354.402 4.006 20 30 FIEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1cn(C)c2ccccc12 ZINC000193598988 1120977336 /nfs/dbraw/zinc/97/73/36/1120977336.db2.gz VPLJYMCGNOQAEA-INIZCTEOSA-N -1 0 355.397 4.173 20 30 FIEDRM CCCCCOc1cc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)ccc1OC ZINC000193610976 1120981724 /nfs/dbraw/zinc/98/17/24/1120981724.db2.gz GLLWTBGCCXPTMK-SDNWHVSQSA-N -1 0 367.449 4.088 20 30 FIEDRM CC(=Cc1ccc(OCc2ccccc2)cc1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000193612216 1120982227 /nfs/dbraw/zinc/98/22/27/1120982227.db2.gz DLPDZBXSGUMOLV-QINSGFPZSA-N -1 0 357.413 4.090 20 30 FIEDRM C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000238120362 1120989013 /nfs/dbraw/zinc/98/90/13/1120989013.db2.gz WTGHXASALFOARI-UHFFFAOYSA-N -1 0 365.307 4.221 20 30 FIEDRM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)c1 ZINC000026547626 1121098194 /nfs/dbraw/zinc/09/81/94/1121098194.db2.gz QECJGVWNNFJKPS-UHFFFAOYSA-N -1 0 365.458 4.145 20 30 FIEDRM O=C([O-])c1cc(N=NC(Cc2ccccc2[N+](=O)[O-])C2CC2)ccc1Cl ZINC000763104292 1121117360 /nfs/dbraw/zinc/11/73/60/1121117360.db2.gz CIMHYSZMXLNKLE-UHFFFAOYSA-N -1 0 373.796 4.367 20 30 FIEDRM O=C([O-])CCOc1ccc(C=NNc2ccc(Cl)cc2Cl)cc1 ZINC000915952978 1121351866 /nfs/dbraw/zinc/35/18/66/1121351866.db2.gz DCMZDRZRDBFAGR-UHFFFAOYSA-N -1 0 353.205 4.293 20 30 FIEDRM O=C([O-])CCOc1ccc(C=NN=C2c3ccccc3-c3ccccc32)cc1 ZINC000915957466 1121353194 /nfs/dbraw/zinc/35/31/94/1121353194.db2.gz ZMYREWZPFXFUDH-UHFFFAOYSA-N -1 0 370.408 4.392 20 30 FIEDRM Cc1c(C(=O)[O-])oc2c1C(=NNc1ccc(Cl)cc1[N+](=O)[O-])CCC2 ZINC000915976226 1121359857 /nfs/dbraw/zinc/35/98/57/1121359857.db2.gz QJQQMTXYSMGUFB-UHFFFAOYSA-N -1 0 363.757 4.000 20 30 FIEDRM O=C([O-])c1ccc(-c2ccc(C(=O)/C=C/c3cccc4c3OCO4)cc2)o1 ZINC000915988610 1121367721 /nfs/dbraw/zinc/36/77/21/1121367721.db2.gz XJCJRHCUWYKVND-CMDGGOBGSA-N -1 0 362.337 4.270 20 30 FIEDRM CCCOc1c(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)cccc1OCC ZINC000915988544 1121368266 /nfs/dbraw/zinc/36/82/66/1121368266.db2.gz ZRWQFXPKUFSCOF-SEYXRHQNSA-N -1 0 368.429 4.397 20 30 FIEDRM CC(C)c1ccc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000915989787 1121368957 /nfs/dbraw/zinc/36/89/57/1121368957.db2.gz DQHFJJPBFDLCNM-POHAHGRESA-N -1 0 353.374 4.241 20 30 FIEDRM O=C(/C=C\c1cccc2ccccc12)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000916129969 1121419443 /nfs/dbraw/zinc/41/94/43/1121419443.db2.gz DLFYGZLLJHVTCN-NTMALXAHSA-N -1 0 373.452 4.274 20 30 FIEDRM O=C([O-])COc1ccc(/C=C\C(=O)c2cc3cc(Cl)ccc3o2)cc1 ZINC000916130102 1121419464 /nfs/dbraw/zinc/41/94/64/1121419464.db2.gz HZQLERCEDKNKIO-CLTKARDFSA-N -1 0 356.761 4.446 20 30 FIEDRM O=C([O-])c1cccc(NN=Cc2c[nH]c3ccc(Br)cc23)c1 ZINC000916255117 1121453602 /nfs/dbraw/zinc/45/36/02/1121453602.db2.gz BUOMGKAONCBRFC-UHFFFAOYSA-N -1 0 358.195 4.075 20 30 FIEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000763370147 1121481327 /nfs/dbraw/zinc/48/13/27/1121481327.db2.gz LIINPSMCOQJDSZ-JTQLQIEISA-N -1 0 368.220 4.342 20 30 FIEDRM COc1cc(C(=O)[O-])ccc1[N-][NH+]=Cc1c(Cl)cccc1N1CCCC1 ZINC000763370552 1121491986 /nfs/dbraw/zinc/49/19/86/1121491986.db2.gz RESBLXOWAGZKBI-UHFFFAOYSA-N -1 0 373.840 4.093 20 30 FIEDRM COc1cc(/C=C2\Cc3c(cccc3Cl)C2=O)ccc1OCCC(=O)[O-] ZINC000763375379 1121525344 /nfs/dbraw/zinc/52/53/44/1121525344.db2.gz YWKJNHLSADBSII-UKTHLTGXSA-N -1 0 372.804 4.025 20 30 FIEDRM CCCOc1ccc(/C=C\C(=O)c2ccc(OC)c(CC(=O)[O-])c2)cc1 ZINC000916546958 1121539619 /nfs/dbraw/zinc/53/96/19/1121539619.db2.gz RAFQAAXFCLLNED-POHAHGRESA-N -1 0 354.402 4.007 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cccc(F)c3)n2)cc1 ZINC000066544069 1122071927 /nfs/dbraw/zinc/07/19/27/1122071927.db2.gz YWRFSFVJDQXWSI-MRXNPFEDSA-N -1 0 352.390 4.448 20 30 FIEDRM N#CC(=C([O-])c1ccc2c(c1)CCCC2=O)c1nc(-c2ccncc2)cs1 ZINC000497367868 1122166387 /nfs/dbraw/zinc/16/63/87/1122166387.db2.gz UTZLQLQYYVWWLU-QGZVFWFLSA-N -1 0 373.437 4.214 20 30 FIEDRM COc1ccsc1C([O-])=C(C#N)c1nc(-c2ccc(OC)cc2)cs1 ZINC000106354203 1122210587 /nfs/dbraw/zinc/21/05/87/1122210587.db2.gz RAZUIEMRJDMBJL-CYBMUJFWSA-N -1 0 370.455 4.379 20 30 FIEDRM COc1ccsc1C([O-])=C(C#N)c1nc(-c2ccc(OC)cc2)cs1 ZINC000106354202 1122210774 /nfs/dbraw/zinc/21/07/74/1122210774.db2.gz RAZUIEMRJDMBJL-ZDUSSCGKSA-N -1 0 370.455 4.379 20 30 FIEDRM CCOC(=O)c1c(C)[nH]c(C)c1C([O-])=C(C#N)C(=O)CCC1CCCCC1 ZINC000917507448 1122339849 /nfs/dbraw/zinc/33/98/49/1122339849.db2.gz XJYSXTKECDCNCV-INIZCTEOSA-N -1 0 372.465 4.060 20 30 FIEDRM Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=NNc1ccc(C(=O)[O-])cc1 ZINC000917529329 1122350536 /nfs/dbraw/zinc/35/05/36/1122350536.db2.gz MKVLPKILCBVBNA-UHFFFAOYSA-N -1 0 368.824 4.287 20 30 FIEDRM Cc1ccc(Cc2nc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)cs2)cc1 ZINC000130915233 1122952750 /nfs/dbraw/zinc/95/27/50/1122952750.db2.gz DWOJTIKFKCJTNC-OAHLLOKOSA-N -1 0 372.453 4.409 20 30 FIEDRM N#CCc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)cc1 ZINC000131855390 1123193536 /nfs/dbraw/zinc/19/35/36/1123193536.db2.gz LCPNXNJRRFVIBV-UHFFFAOYSA-N -1 0 374.771 4.226 20 30 FIEDRM N#CC(=C([O-])c1ccccc1[N+](=O)[O-])c1nc2cc(Cl)ccc2s1 ZINC000076606863 1123614062 /nfs/dbraw/zinc/61/40/62/1123614062.db2.gz KLFZOVOWIAJJQA-NSHDSACASA-N -1 0 357.778 4.348 20 30 FIEDRM CCc1ccc(S(=O)(=O)[N-]c2ccccc2SCCC#N)s1 ZINC000609379909 1123697513 /nfs/dbraw/zinc/69/75/13/1123697513.db2.gz WCDGLZGFSGPQCL-UHFFFAOYSA-N -1 0 352.506 4.117 20 30 FIEDRM CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000064374857 1123721121 /nfs/dbraw/zinc/72/11/21/1123721121.db2.gz FZVDAKFFXSJKRZ-UHFFFAOYSA-N -1 0 373.286 4.388 20 30 FIEDRM CC(C)(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000609658602 1123785445 /nfs/dbraw/zinc/78/54/45/1123785445.db2.gz MSKDGPAKWQJNDR-UHFFFAOYSA-N -1 0 364.854 4.190 20 30 FIEDRM COCc1nc(C)c(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)s1 ZINC000136833501 1123940392 /nfs/dbraw/zinc/94/03/92/1123940392.db2.gz OECIJEGFSKGPJW-ZDUSSCGKSA-N -1 0 369.471 4.212 20 30 FIEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1ccc2ncccc2c1 ZINC000179588544 1124009043 /nfs/dbraw/zinc/00/90/43/1124009043.db2.gz WRCSDYXRNYOASD-QGZVFWFLSA-N -1 0 353.381 4.230 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2F)s1 ZINC000619547016 1124553743 /nfs/dbraw/zinc/55/37/43/1124553743.db2.gz XEBLCHRAYRCXOT-UHFFFAOYSA-N -1 0 358.419 4.227 20 30 FIEDRM N#CC(=C([O-])c1scnc1C1CC1)c1nc(-c2ccncc2)cs1 ZINC000089967746 1124972420 /nfs/dbraw/zinc/97/24/20/1124972420.db2.gz UHGGOZMOLGXCNI-GFCCVEGCSA-N -1 0 352.444 4.029 20 30 FIEDRM CCCc1c(C([O-])=C(C#N)c2nc(C)cs2)cnn1-c1ccc(F)cc1 ZINC000542952328 1124975985 /nfs/dbraw/zinc/97/59/85/1124975985.db2.gz VAVYDBFOPNHWNJ-HNNXBMFYSA-N -1 0 368.437 4.219 20 30 FIEDRM O=C([N-]S(=O)(=O)C=Cc1ccccc1)c1occc1-c1ccccc1 ZINC000069572195 1124991035 /nfs/dbraw/zinc/99/10/35/1124991035.db2.gz ZZVQVDQTTVWIAJ-WYMLVPIESA-N -1 0 353.399 4.252 20 30 FIEDRM O=C([N-]S(=O)(=O)C=Cc1ccccc1)C1(c2ccc(Cl)cc2)CC1 ZINC000069572091 1124991175 /nfs/dbraw/zinc/99/11/75/1124991175.db2.gz MYJXOPQONUURFR-JLHYYAGUSA-N -1 0 361.850 4.329 20 30 FIEDRM CC(C)Cn1cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cn1 ZINC000181521582 1124994019 /nfs/dbraw/zinc/99/40/19/1124994019.db2.gz DEFFHVYXMAGYRW-MRXNPFEDSA-N -1 0 350.447 4.153 20 30 FIEDRM Cc1ccc(-c2ccc(C([O-])=C(C#N)c3nnc4n3CCCCC4)s2)o1 ZINC000181529902 1125000432 /nfs/dbraw/zinc/00/04/32/1125000432.db2.gz VIUCKNQWOIHLOS-ZDUSSCGKSA-N -1 0 366.446 4.125 20 30 FIEDRM O=C(CCc1cccs1)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000069604710 1125019244 /nfs/dbraw/zinc/01/92/44/1125019244.db2.gz VYUQRQMHLMXBSN-UHFFFAOYSA-N -1 0 363.382 4.045 20 30 FIEDRM O=C(COC1CCCCC1)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000069641932 1125079469 /nfs/dbraw/zinc/07/94/69/1125079469.db2.gz VLTFCFWIRHWZJF-UHFFFAOYSA-N -1 0 372.295 4.049 20 30 FIEDRM COc1ccc2nc(C([O-])=C(C#N)c3nc(C(C)C)cs3)ccc2c1 ZINC000091698080 1125087653 /nfs/dbraw/zinc/08/76/53/1125087653.db2.gz GBCVVGIMJHHZAV-CQSZACIVSA-N -1 0 351.431 4.313 20 30 FIEDRM COc1cc(/C=C/C(=O)c2ccc(C)c(C)c2)ccc1OCCC(=O)[O-] ZINC000181674059 1125099632 /nfs/dbraw/zinc/09/96/32/1125099632.db2.gz WFUNVFGTPWVGAR-VMPITWQZSA-N -1 0 354.402 4.062 20 30 FIEDRM O=S(=O)([N-]c1cccc(C(F)F)c1)c1c(F)c(F)c(F)c(F)c1F ZINC000181686791 1125106036 /nfs/dbraw/zinc/10/60/36/1125106036.db2.gz CXXBPMPZWPIZGT-UHFFFAOYSA-N -1 0 373.249 4.121 20 30 FIEDRM O=C([N-]S(=O)(=O)c1ccccc1)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000070028862 1125243825 /nfs/dbraw/zinc/24/38/25/1125243825.db2.gz RBQVDNAFTYJWFG-STQMWFEESA-N -1 0 370.257 4.442 20 30 FIEDRM Cc1nc(-c2ccccc2)oc1Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O ZINC000601922592 567876751 /nfs/dbraw/zinc/87/67/51/567876751.db2.gz MGMURVHIHBBMGU-UHFFFAOYSA-N -1 0 364.449 4.354 20 30 FIEDRM N#CC(=C([O-])c1cnc2ccsc2c1)c1nc(-c2ccncc2)cs1 ZINC000525796151 568274031 /nfs/dbraw/zinc/27/40/31/568274031.db2.gz VAYWXRBUKRIWNT-CYBMUJFWSA-N -1 0 362.439 4.305 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2oc3c(cccc3F)c2C)n1 ZINC000604433340 568286621 /nfs/dbraw/zinc/28/66/21/568286621.db2.gz GDVXNGARPPAEGL-NSHDSACASA-N -1 0 372.377 4.004 20 30 FIEDRM N#Cc1cccc(COc2cccc(CNc3cccc(C(=O)[O-])c3)c2)c1 ZINC000570300450 568473623 /nfs/dbraw/zinc/47/36/23/568473623.db2.gz VQQXWMSNNRMENR-UHFFFAOYSA-N -1 0 358.397 4.448 20 30 FIEDRM C=C[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc2ccccc2c1)c1ccccc1 ZINC000431878301 939167012 /nfs/dbraw/zinc/16/70/12/939167012.db2.gz AIMSSCMAPIJMFM-OPAMFIHVSA-N -1 0 359.425 4.442 20 30 FIEDRM CC(=O)c1ccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)cc1 ZINC000182887570 1125667084 /nfs/dbraw/zinc/66/70/84/1125667084.db2.gz BWLUNEMONPMJGS-GOSISDBHSA-N -1 0 371.421 4.374 20 30 FIEDRM CC(C)S(=O)(=O)[N-]C(=O)[C@H](C)Sc1cc(Cl)ccc1Cl ZINC000049418187 1079528379 /nfs/dbraw/zinc/52/83/79/1079528379.db2.gz GKJCTTOEPJUHCI-QMMMGPOBSA-N -1 0 356.296 4.169 20 30 FIEDRM Cc1nn(C(C)C)cc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000579729711 1079589142 /nfs/dbraw/zinc/58/91/42/1079589142.db2.gz IXQNZJJHMOJRIE-GFCCVEGCSA-N -1 0 357.364 4.007 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2cc(F)c(Br)c(Cl)c2)cc1[O-] ZINC000557713210 1079625262 /nfs/dbraw/zinc/62/52/62/1079625262.db2.gz BLXDNWQYRPDPEN-UHFFFAOYSA-N -1 0 369.577 4.071 20 30 FIEDRM C=CCOc1ccc(C[NH2+][C@@H](C(=O)[O-])c2cc(F)ccc2F)cc1Cl ZINC000683174186 1079810173 /nfs/dbraw/zinc/81/01/73/1079810173.db2.gz RADQNQMSDWPRRL-QGZVFWFLSA-N -1 0 367.779 4.099 20 30 FIEDRM CC(C)COC(=O)Nc1cccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000254943199 1080073982 /nfs/dbraw/zinc/07/39/82/1080073982.db2.gz YDQJPKJTRZCOGV-UHFFFAOYSA-N -1 0 357.366 4.256 20 30 FIEDRM C=C1CCC(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccccc2)CC1 ZINC001625828061 1080445334 /nfs/dbraw/zinc/44/53/34/1080445334.db2.gz UPMMWOKWDQQNQQ-UHFFFAOYSA-N -1 0 370.474 4.172 20 30 FIEDRM C[C@H](/N=C\c1cc(Cl)cc(Cl)c1[O-])c1ccc2c(c1)CC(=O)N2C ZINC000728226085 1080578819 /nfs/dbraw/zinc/57/88/19/1080578819.db2.gz HJFAIRCVSGQSDB-UQXWMBKDSA-N -1 0 363.244 4.398 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCC(=O)c1cccs1 ZINC000121048000 1081271573 /nfs/dbraw/zinc/27/15/73/1081271573.db2.gz GLBZMZHODKHOOK-AWEZNQCLSA-N -1 0 364.426 4.093 20 30 FIEDRM O=C([N-]S(=O)(=O)c1ccccc1Cl)c1cccc(Cl)c1Cl ZINC000048577784 1081384031 /nfs/dbraw/zinc/38/40/31/1081384031.db2.gz OLCSZXQERJULFL-UHFFFAOYSA-N -1 0 364.637 4.340 20 30 FIEDRM CC(=O)Nc1ccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cc1F ZINC000683689905 1081387624 /nfs/dbraw/zinc/38/76/24/1081387624.db2.gz SVJOQLOOVLKOHI-GFCCVEGCSA-N -1 0 371.368 4.023 20 30 FIEDRM CCOc1ccccc1CCC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000121087736 1081410595 /nfs/dbraw/zinc/41/05/95/1081410595.db2.gz RMWWGJAAOUPHPJ-GOSISDBHSA-N -1 0 374.440 4.399 20 30 FIEDRM O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(F)c(Br)c1 ZINC000748145833 1081569204 /nfs/dbraw/zinc/56/92/04/1081569204.db2.gz AIBPIVWGSVOEFH-QHHAFSJGSA-N -1 0 366.142 4.098 20 30 FIEDRM O=C(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)c1sccc1Br ZINC000748148577 1081610008 /nfs/dbraw/zinc/61/00/08/1081610008.db2.gz UXMSQEWQBVHMAN-DUXPYHPUSA-N -1 0 354.181 4.021 20 30 FIEDRM O=C1c2c3cc(F)ccc3[nH]c2CC/C1=C/c1ccc([N+](=O)[O-])c([O-])c1 ZINC000748148343 1081611412 /nfs/dbraw/zinc/61/14/12/1081611412.db2.gz SUIPLGHXPIHHAO-XFFZJAGNSA-N -1 0 352.321 4.133 20 30 FIEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)c1 ZINC000050204667 1081921191 /nfs/dbraw/zinc/92/11/91/1081921191.db2.gz JZIUKUFXWMYXCI-JKSUJKDBSA-N -1 0 363.866 4.406 20 30 FIEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)c1 ZINC000050204668 1081921610 /nfs/dbraw/zinc/92/16/10/1081921610.db2.gz JZIUKUFXWMYXCI-HOTGVXAUSA-N -1 0 363.866 4.406 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cnn1-c1ccccc1 ZINC000430596427 1082557445 /nfs/dbraw/zinc/55/74/45/1082557445.db2.gz WZFAVCKCYNROEY-OAHLLOKOSA-N -1 0 364.474 4.425 20 30 FIEDRM Cc1ccccc1-n1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cn1 ZINC000430600626 1082566628 /nfs/dbraw/zinc/56/66/28/1082566628.db2.gz BMZRBJDLBHTXCC-OAHLLOKOSA-N -1 0 364.474 4.425 20 30 FIEDRM CC(C)n1ncc2cc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)cnc21 ZINC000430605852 1082596923 /nfs/dbraw/zinc/59/69/23/1082596923.db2.gz URFUZFQQIZKOCN-AWEZNQCLSA-N -1 0 367.478 4.256 20 30 FIEDRM O=C1[C@H](/N=C\c2cc(Cl)cc(Cl)c2[O-])CCN1c1ccccc1F ZINC000255311808 1082610411 /nfs/dbraw/zinc/61/04/11/1082610411.db2.gz LAKHVDHRFDAWCG-FGJCKKKHSA-N -1 0 367.207 4.063 20 30 FIEDRM C=CCCn1cc(/C=C(\CCCC(=O)[O-])c2nc3ccccc3s2)nn1 ZINC000656613116 1082625918 /nfs/dbraw/zinc/62/59/18/1082625918.db2.gz RXGZYJKFLZWXNX-WYMLVPIESA-N -1 0 368.462 4.259 20 30 FIEDRM CC(=O)c1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c(C)nc1C ZINC000430611440 1082665039 /nfs/dbraw/zinc/66/50/39/1082665039.db2.gz OMYWTYLKRZXSMD-HNNXBMFYSA-N -1 0 355.463 4.145 20 30 FIEDRM CC(C)COc1ncccc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430611498 1082665102 /nfs/dbraw/zinc/66/51/02/1082665102.db2.gz ODYORDSXMPWNPK-CQSZACIVSA-N -1 0 357.479 4.360 20 30 FIEDRM CCOc1ncc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cc1Cl ZINC000430625082 1082743233 /nfs/dbraw/zinc/74/32/33/1082743233.db2.gz JASAXXMBUWTESR-NSHDSACASA-N -1 0 363.870 4.378 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ncccc2C(F)(F)F)s1 ZINC000430630187 1082771601 /nfs/dbraw/zinc/77/16/01/1082771601.db2.gz RHHCJMWMDHIXQF-SECBINFHSA-N -1 0 353.369 4.344 20 30 FIEDRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCCOc1ccccc1F ZINC000077880473 1082797678 /nfs/dbraw/zinc/79/76/78/1082797678.db2.gz XGSTUZRXBZSNON-CQSZACIVSA-N -1 0 365.426 4.032 20 30 FIEDRM CCOc1ccc(CCC(=O)[N-]S(=O)(=O)[C@H](C)c2ccccc2)cc1 ZINC000077879464 1082797821 /nfs/dbraw/zinc/79/78/21/1082797821.db2.gz QPJJUFSBBNBNAM-OAHLLOKOSA-N -1 0 361.463 4.065 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cnn(Cc3ccccc3)c2)s1 ZINC000430641259 1082817112 /nfs/dbraw/zinc/81/71/12/1082817112.db2.gz LSOGATXFXRJXLQ-INIZCTEOSA-N -1 0 364.474 4.175 20 30 FIEDRM Cc1oc(-c2ccccc2F)nc1C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000121528119 1083001637 /nfs/dbraw/zinc/00/16/37/1083001637.db2.gz AQCBRZZDXNBXHV-ZDUSSCGKSA-N -1 0 360.348 4.156 20 30 FIEDRM COc1cccc([C@H](C)CC(=O)[N-]S(=O)(=O)C=Cc2ccccc2)c1 ZINC000084692276 1083033272 /nfs/dbraw/zinc/03/32/72/1083033272.db2.gz WJPILFUVUIWYIO-AYJWMTRPSA-N -1 0 359.447 4.146 20 30 FIEDRM COc1cc(/C=C\C(=O)c2cc(C)sc2C)ccc1OCCC(=O)[O-] ZINC000588460268 1083330395 /nfs/dbraw/zinc/33/03/95/1083330395.db2.gz HSUHCQYSZWKPSQ-XQRVVYSFSA-N -1 0 360.431 4.123 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)nn1-c1ccc(F)cc1 ZINC000647379009 1083369913 /nfs/dbraw/zinc/36/99/13/1083369913.db2.gz URKRHYOIVZDGMF-OAHLLOKOSA-N -1 0 366.421 4.144 20 30 FIEDRM Cn1c2ccc(C([O-])=C(C#N)c3nc(C4CC4)cs3)cc2nc1C(F)F ZINC000647379605 1083376767 /nfs/dbraw/zinc/37/67/67/1083376767.db2.gz YLBROINBXMWVQA-NSHDSACASA-N -1 0 372.400 4.335 20 30 FIEDRM COC(C)(C)c1nc(C)c(C([O-])=C(C#N)c2nc(C3CC3)cs2)s1 ZINC000647379673 1083377264 /nfs/dbraw/zinc/37/72/64/1083377264.db2.gz COQKJGMKUUPRTO-NSHDSACASA-N -1 0 361.492 4.157 20 30 FIEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000431181390 1083388056 /nfs/dbraw/zinc/38/80/56/1083388056.db2.gz SESNUECLDZAKOF-UHFFFAOYSA-N -1 0 374.771 4.340 20 30 FIEDRM C[C@@H]1Oc2ccc(N=Cc3cc(Cl)cc(Cl)c3[O-])cc2NC1=O ZINC000255692011 1083415767 /nfs/dbraw/zinc/41/57/67/1083415767.db2.gz HKTIDFOLSPRJPX-QMMMGPOBSA-N -1 0 351.189 4.169 20 30 FIEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(Sc3ccccc3)cc2)C(=O)O1 ZINC000255696307 1083422650 /nfs/dbraw/zinc/42/26/50/1083422650.db2.gz SKQWKWDMLZSRGU-FNUUXAGOSA-N -1 0 364.422 4.066 20 30 FIEDRM CCCn1ncc(C([O-])=C(C#N)c2nc3ccccc3s2)c1C1CC1 ZINC000535741318 1083612037 /nfs/dbraw/zinc/61/20/37/1083612037.db2.gz UVXXBZNDVUYJED-CYBMUJFWSA-N -1 0 350.447 4.270 20 30 FIEDRM COCc1ccsc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000181427683 1083912032 /nfs/dbraw/zinc/91/20/32/1083912032.db2.gz KTZJFOLIKVVKMI-NSHDSACASA-N -1 0 361.373 4.129 20 30 FIEDRM COc1ccc(-c2ocnc2C([O-])=C(C#N)c2nccc3ccccc32)cc1 ZINC000584493897 1083965988 /nfs/dbraw/zinc/96/59/88/1083965988.db2.gz NWKQRDBNVHYCDO-SFHVURJKSA-N -1 0 369.380 4.388 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)nn1-c1ccccc1 ZINC000613292205 1084552930 /nfs/dbraw/zinc/55/29/30/1084552930.db2.gz CGBYRVUBWGNBOJ-SFHVURJKSA-N -1 0 352.397 4.219 20 30 FIEDRM N#CC(=C([O-])c1cc(-c2ccccc2)n(-c2ccccc2)n1)c1ccccn1 ZINC000613296528 1084558076 /nfs/dbraw/zinc/55/80/76/1084558076.db2.gz IZCGXFCLLWELEF-IBGZPJMESA-N -1 0 364.408 4.424 20 30 FIEDRM C=CCN(C(=O)Nc1ccc(SC)cc1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000684742113 1084571373 /nfs/dbraw/zinc/57/13/73/1084571373.db2.gz NWNMMPXVLOOMTG-GOSISDBHSA-N -1 0 370.474 4.124 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])C=Cc3ccco3)n2)cc1 ZINC000066544159 1084639314 /nfs/dbraw/zinc/63/93/14/1084639314.db2.gz ONWRTQBAUFFRHZ-FDMDGMSGSA-N -1 0 350.399 4.301 20 30 FIEDRM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccccc1SC[C@H](C)C#N ZINC000174717176 1084818337 /nfs/dbraw/zinc/81/83/37/1084818337.db2.gz XWMQXEHZDJRHIB-GFCCVEGCSA-N -1 0 364.467 4.187 20 30 FIEDRM CCOC(=O)CCCc1ccc(C#N)cc1Nc1ccc(C(=O)[O-])c(C)c1 ZINC001211663696 1085341674 /nfs/dbraw/zinc/34/16/74/1085341674.db2.gz WSPZTXGBPQXTBG-UHFFFAOYSA-N -1 0 366.417 4.194 20 30 FIEDRM N#Cc1cc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000321887493 1085981948 /nfs/dbraw/zinc/98/19/48/1085981948.db2.gz RKOPUYIXMWSZEA-UHFFFAOYSA-N -1 0 360.744 4.031 20 30 FIEDRM N#C[C@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000184392643 1086109339 /nfs/dbraw/zinc/10/93/39/1086109339.db2.gz WEOGGQBVJZAPBR-ZDUSSCGKSA-N -1 0 373.598 4.486 20 30 FIEDRM COc1ccc(-c2ocnc2C([O-])=C(C#N)c2ccc3ccccc3n2)cc1 ZINC000685143099 1086723208 /nfs/dbraw/zinc/72/32/08/1086723208.db2.gz LZBTZPAXIATPFS-QGZVFWFLSA-N -1 0 369.380 4.388 20 30 FIEDRM C=CCCCS(=O)(=O)[N-]c1noc(-c2ccc(Cl)s2)c1CC ZINC000427753059 1086876833 /nfs/dbraw/zinc/87/68/33/1086876833.db2.gz APZOCYQYMAUHFM-UHFFFAOYSA-N -1 0 360.888 4.327 20 30 FIEDRM O=C(/C=C\c1nccn1CC(F)(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000588594519 1087274215 /nfs/dbraw/zinc/27/42/15/1087274215.db2.gz PFLSUBQOMBETAB-UPHRSURJSA-N -1 0 365.138 4.354 20 30 FIEDRM C[C@@H](C#N)Oc1ccc(/C=C\c2nc(-c3ccccc3)ncc2C(=O)[O-])cc1 ZINC000588619051 1087614903 /nfs/dbraw/zinc/61/49/03/1087614903.db2.gz VKNSSOYWGROSAB-LMRWQKIVSA-N -1 0 371.396 4.303 20 30 FIEDRM CCOc1ccc(CCC(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000065763653 1087748791 /nfs/dbraw/zinc/74/87/91/1087748791.db2.gz QPYLXBDVVXTRLZ-UHFFFAOYSA-N -1 0 373.883 4.078 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000892423783 1087758266 /nfs/dbraw/zinc/75/82/66/1087758266.db2.gz KEHZTQRMGMWWHZ-HUORLRHWSA-N -1 0 352.459 4.042 20 30 FIEDRM N#CC(=C([O-])c1nn(-c2ccccc2)c2c1CCC2)c1nc(C2CC2)cs1 ZINC000647374150 1087790071 /nfs/dbraw/zinc/79/00/71/1087790071.db2.gz XDRWNEFDABVMIA-INIZCTEOSA-N -1 0 374.469 4.185 20 30 FIEDRM CCC(CC)(CNC(=O)Nc1ccccc1S[C@H](C)CC#N)C(=O)[O-] ZINC000424378236 1087963637 /nfs/dbraw/zinc/96/36/37/1087963637.db2.gz FXCSNXSCCWJPHO-CYBMUJFWSA-N -1 0 363.483 4.093 20 30 FIEDRM COc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c2ccccc2n1 ZINC000659114437 1088131132 /nfs/dbraw/zinc/13/11/32/1088131132.db2.gz BCODYZYGVNNGJM-AWEZNQCLSA-N -1 0 351.431 4.313 20 30 FIEDRM C=CCC1(C(=O)Nc2cc(Br)cc(Cl)c2[O-])CCOCC1 ZINC000424741997 1088195267 /nfs/dbraw/zinc/19/52/67/1088195267.db2.gz FXSXFIFOLFLFGO-UHFFFAOYSA-N -1 0 374.662 4.120 20 30 FIEDRM C=CCC1(C(=O)Nc2cc(Cl)cc(Br)c2[O-])CCOCC1 ZINC000424742672 1088197581 /nfs/dbraw/zinc/19/75/81/1088197581.db2.gz AEUHYCCCDSNWDJ-UHFFFAOYSA-N -1 0 374.662 4.120 20 30 FIEDRM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(F)(F)F)ccc1C#N ZINC000508131062 1088480857 /nfs/dbraw/zinc/48/08/57/1088480857.db2.gz JRYYRRZRZNKIJN-UHFFFAOYSA-N -1 0 374.771 4.340 20 30 FIEDRM C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C(F)(F)F)cc1O ZINC000180456366 1088770967 /nfs/dbraw/zinc/77/09/67/1088770967.db2.gz KZNUGEWJWLVVFS-UHFFFAOYSA-N -1 0 360.335 4.111 20 30 FIEDRM CC(C)c1noc(-c2ccccc2C([O-])=C(C#N)c2nc3ccccc3o2)n1 ZINC000505451966 1088881155 /nfs/dbraw/zinc/88/11/55/1088881155.db2.gz VLXFTRBNAHTHHW-HNNXBMFYSA-N -1 0 372.384 4.491 20 30 FIEDRM N#CC(=C([O-])c1c2c(nc3ccccc31)CCC2)c1nc2ccccc2o1 ZINC000505456461 1088901228 /nfs/dbraw/zinc/90/12/28/1088901228.db2.gz ANAQHWFWWVBVHU-HNNXBMFYSA-N -1 0 353.381 4.355 20 30 FIEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000505479010 1088961181 /nfs/dbraw/zinc/96/11/81/1088961181.db2.gz HCQPOUBVOSQJCC-WQLSENKSSA-N -1 0 356.381 4.401 20 30 FIEDRM O=C([O-])CCOc1cccc(/C=C\C(=O)c2ccccc2OC(F)F)c1 ZINC000728695254 1089233257 /nfs/dbraw/zinc/23/32/57/1089233257.db2.gz SWVHULMVLNXFQF-HJWRWDBZSA-N -1 0 362.328 4.038 20 30 FIEDRM CC(=O)[C@@H](C)CCCCC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000122484598 1089454917 /nfs/dbraw/zinc/45/49/17/1089454917.db2.gz OMGSNBAQUTWKFP-SUMWQHHRSA-N -1 0 352.434 4.153 20 30 FIEDRM CC(=Cc1ccc(OCc2ccccc2)cc1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435338433 1089543437 /nfs/dbraw/zinc/54/34/37/1089543437.db2.gz DLPDZBXSGUMOLV-NTCAYCPXSA-N -1 0 357.413 4.090 20 30 FIEDRM C=CCOc1ccc(C=C(CC)c2nc(CCC)cc(=O)[nH]2)cc1OC ZINC000435340569 1089546381 /nfs/dbraw/zinc/54/63/81/1089546381.db2.gz JYYPEDIJUHPCSH-VBKFSLOCSA-N -1 0 354.450 4.246 20 30 FIEDRM CC(C)c1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)s3)cc2s1 ZINC000435497612 1089715399 /nfs/dbraw/zinc/71/53/99/1089715399.db2.gz XUBSRBGXPYBJQZ-UHFFFAOYSA-N -1 0 363.489 4.154 20 30 FIEDRM CC(C)c1cnc(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)s3)cc2)o1 ZINC000435499359 1089717636 /nfs/dbraw/zinc/71/76/36/1089717636.db2.gz ANKKKUGSQQNYOQ-UHFFFAOYSA-N -1 0 373.459 4.199 20 30 FIEDRM COc1ccc2oc(C([O-])=C(C#N)c3nc4ccccc4n3C)c(C)c2c1 ZINC000122643820 1089815011 /nfs/dbraw/zinc/81/50/11/1089815011.db2.gz ILANCYSNKXKOCM-OAHLLOKOSA-N -1 0 359.385 4.127 20 30 FIEDRM Cc1cc(/C=C2\CN(C)Cc3c2nc2ccccc2c3C(=O)[O-])ccc1C#N ZINC000435755986 1089931334 /nfs/dbraw/zinc/93/13/34/1089931334.db2.gz OHXDUWRMOCGOCQ-LICLKQGHSA-N -1 0 369.424 4.099 20 30 FIEDRM CN(C)c1cc(C([O-])=C(C#N)c2nc3ccccc3s2)c2ccccc2n1 ZINC000122869754 1090142470 /nfs/dbraw/zinc/14/24/70/1090142470.db2.gz XSKXDEDTIMTKEI-HNNXBMFYSA-N -1 0 372.453 4.401 20 30 FIEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(Cl)ccc1SCC(F)(F)F ZINC000416958247 1090599873 /nfs/dbraw/zinc/59/98/73/1090599873.db2.gz OWAPEOWUYVIINO-VIFPVBQESA-N -1 0 372.821 4.038 20 30 FIEDRM N#Cc1ccc(Oc2ccc(NC(=O)NCCCCCC(=O)[O-])cc2)cc1 ZINC000417757044 1090972921 /nfs/dbraw/zinc/97/29/21/1090972921.db2.gz MXAFPUJRPLEZHV-UHFFFAOYSA-N -1 0 367.405 4.117 20 30 FIEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cccc(Cl)c1C)c1ccccc1 ZINC000193884145 1091330441 /nfs/dbraw/zinc/33/04/41/1091330441.db2.gz GLIHWCGAMOAJPA-FUHWJXTLSA-N -1 0 354.837 4.238 20 30 FIEDRM CCc1cccnc1C([O-])=C(C#N)c1nc(-c2ccc(OC)cc2)cs1 ZINC000500467084 1092103041 /nfs/dbraw/zinc/10/30/41/1092103041.db2.gz VBFOLZSIXPPBMB-MRXNPFEDSA-N -1 0 363.442 4.266 20 30 FIEDRM CCc1c(C)nn(-c2cccc(C([O-])=C(C#N)c3nc(C)cs3)c2)c1C ZINC000500467513 1092105902 /nfs/dbraw/zinc/10/59/02/1092105902.db2.gz GAHGZXBDUZQNQH-SFHVURJKSA-N -1 0 364.474 4.307 20 30 FIEDRM CSc1nc(C2CC2)cc(C(=O)Nc2cc(Cl)ccc2[O-])c1C#N ZINC000436794240 1092137316 /nfs/dbraw/zinc/13/73/16/1092137316.db2.gz UOGISIBIGIWWCP-UHFFFAOYSA-N -1 0 359.838 4.164 20 30 FIEDRM C=CCC[C@H](N=c1nc(COC)[n-]s1)c1ccc(C(F)(F)F)cc1 ZINC000441964583 1092363018 /nfs/dbraw/zinc/36/30/18/1092363018.db2.gz INFMYYCIHAUIJK-ZDUSSCGKSA-N -1 0 357.401 4.245 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2nc(-c3ccc(F)c(Cl)c3)cs2)cc1[O-] ZINC000443072608 1092934203 /nfs/dbraw/zinc/93/42/03/1092934203.db2.gz OHONRNAMQKSKNW-UHFFFAOYSA-N -1 0 373.796 4.432 20 30 FIEDRM CO[C@@H](Cn1[n-]c(C(C)(C)C)c(CCC#N)c1=O)c1ccc(Cl)cc1 ZINC000509773986 1093186846 /nfs/dbraw/zinc/18/68/46/1093186846.db2.gz BHTDXYHIXUFJPH-INIZCTEOSA-N -1 0 361.873 4.383 20 30 FIEDRM COc1nc(C([O-])=C(C#N)c2nc3ccccc3s2)cc2ccccc21 ZINC000513051006 1093701360 /nfs/dbraw/zinc/70/13/60/1093701360.db2.gz IXIAMXOJHMCTEA-AWEZNQCLSA-N -1 0 359.410 4.343 20 30 FIEDRM Cc1ccc2c(Cl)c(C([O-])=C(C#N)C(=O)NC3CCCC3)sc2c1 ZINC000729186611 1093941445 /nfs/dbraw/zinc/94/14/45/1093941445.db2.gz LMFZJYBVNDZONO-CYBMUJFWSA-N -1 0 360.866 4.244 20 30 FIEDRM CCc1nc(C([O-])=C(C#N)c2nc(-c3ccc(C)cc3)cs2)c(C)o1 ZINC000513618961 1094239678 /nfs/dbraw/zinc/23/96/78/1094239678.db2.gz HRVJDPIYHOUWLU-CQSZACIVSA-N -1 0 351.431 4.467 20 30 FIEDRM Cc1c(C#N)cccc1C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000513627433 1094251735 /nfs/dbraw/zinc/25/17/35/1094251735.db2.gz REJSXVHEVWSDRN-UHFFFAOYSA-N -1 0 365.614 4.241 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)c(Cl)c1 ZINC000183005807 1094261311 /nfs/dbraw/zinc/26/13/11/1094261311.db2.gz YYSIEWWVYLTMSN-UHFFFAOYSA-N -1 0 373.821 4.031 20 30 FIEDRM N#CC(=C([O-])c1occ2c1CCOC2)c1nc2cc(Cl)ccc2s1 ZINC000513673524 1094266289 /nfs/dbraw/zinc/26/62/89/1094266289.db2.gz STDQNBDFVWEOPZ-GFCCVEGCSA-N -1 0 358.806 4.105 20 30 FIEDRM Cc1csc2ncc(/C([O-])=N/[C@H](C)c3ccc4c(c3)CCCC4)c(=O)n12 ZINC000329284485 1094819449 /nfs/dbraw/zinc/81/94/49/1094819449.db2.gz ONABCINXUSLIMY-CYBMUJFWSA-N -1 0 367.474 4.009 20 30 FIEDRM Cc1csc2ncc(/C([O-])=N/[C@@H](C)c3ccc4c(c3)CCCC4)c(=O)n12 ZINC000329284491 1094819548 /nfs/dbraw/zinc/81/95/48/1094819548.db2.gz ONABCINXUSLIMY-ZDUSSCGKSA-N -1 0 367.474 4.009 20 30 FIEDRM CC1=CC(=O)C(=C([O-])C=Cc2ccc(-c3ccccc3Cl)s2)C(=O)O1 ZINC000120780749 1095686811 /nfs/dbraw/zinc/68/68/11/1095686811.db2.gz IDXNCPSHIMUNMW-JHTBKMLMSA-N -1 0 372.829 4.297 20 30 FIEDRM Cc1csc(-c2cccc(C([O-])=C(C#N)c3nc4[nH]ccc(C)c-4n3)c2)n1 ZINC000429592643 1095976163 /nfs/dbraw/zinc/97/61/63/1095976163.db2.gz UAMVPSKDRNQACY-OAHLLOKOSA-N -1 0 373.441 4.188 20 30 FIEDRM CC(C)(C#N)CCCCSc1n[n-]c(=NCCc2cccs2)s1 ZINC000436198158 1098824944 /nfs/dbraw/zinc/82/49/44/1098824944.db2.gz NURJHZZTWSJTIJ-UHFFFAOYSA-N -1 0 366.581 4.488 20 30 FIEDRM N#CC(=C([O-])c1cc2[nH]cnc2cc1F)c1nc2cc(Cl)ccc2s1 ZINC000436695796 1099229757 /nfs/dbraw/zinc/22/97/57/1099229757.db2.gz FZKHILPSJXAPRF-SNVBAGLBSA-N -1 0 370.796 4.455 20 30 FIEDRM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436903900 1099412979 /nfs/dbraw/zinc/41/29/79/1099412979.db2.gz JPNRDKTZUHTALN-UHFFFAOYSA-N -1 0 360.816 4.355 20 30 FIEDRM C=CCc1cc(C=C(Cc2ccccc2)c2nccc(=O)[nH]2)cc(OC)c1O ZINC000436961590 1099462750 /nfs/dbraw/zinc/46/27/50/1099462750.db2.gz BRTCMCGAOKYLOY-RGEXLXHISA-N -1 0 374.440 4.408 20 30 FIEDRM CO[C@@H](C)c1nc(=Nc2cccc(Oc3ccc(C#N)cc3)c2)s[n-]1 ZINC000509699260 1100072272 /nfs/dbraw/zinc/07/22/72/1100072272.db2.gz OIJZIEVNRHTMAT-LBPRGKRZSA-N -1 0 352.419 4.075 20 30 FIEDRM CCC(C)(C)OCc1cccc([N-]S(=O)(=O)c2ccccc2C#N)c1C ZINC000425972226 1100562129 /nfs/dbraw/zinc/56/21/29/1100562129.db2.gz XBSJFJFLSAZRNF-UHFFFAOYSA-N -1 0 372.490 4.373 20 30 FIEDRM N#Cc1ccc(NC(=O)CC2(CC(=O)[O-])CCCCC2)cc1C(F)(F)F ZINC000438761294 1100901914 /nfs/dbraw/zinc/90/19/14/1100901914.db2.gz OLQBRCTXBSEHJJ-UHFFFAOYSA-N -1 0 368.355 4.331 20 30 FIEDRM Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000190646310 1101332199 /nfs/dbraw/zinc/33/21/99/1101332199.db2.gz KIYPFGWMRKMIFD-UHFFFAOYSA-N -1 0 371.396 4.077 20 30 FIEDRM O=C([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1Cl ZINC000048593095 1101397309 /nfs/dbraw/zinc/39/73/09/1101397309.db2.gz HJFOLCXNFFIEDQ-UHFFFAOYSA-N -1 0 364.637 4.340 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccc(C#N)s3)n2)cc1 ZINC000429727965 1101542276 /nfs/dbraw/zinc/54/22/76/1101542276.db2.gz WJVNNNCZDYEJNJ-AWEZNQCLSA-N -1 0 365.439 4.242 20 30 FIEDRM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000439628230 1101633719 /nfs/dbraw/zinc/63/37/19/1101633719.db2.gz YBHKJVHCZDDTTG-UHFFFAOYSA-N -1 0 370.261 4.098 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCc2ccc3ccccc3c2)cc1 ZINC000054422441 1102014291 /nfs/dbraw/zinc/01/42/91/1102014291.db2.gz TXAYRROCGAQWHC-UHFFFAOYSA-N -1 0 353.443 4.426 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCCOCc1ccccc1 ZINC000127632319 1102123116 /nfs/dbraw/zinc/12/31/16/1102123116.db2.gz PUIZBCFLACLHDN-LJQANCHMSA-N -1 0 374.440 4.365 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)ccc2Cl)cn1 ZINC000475832965 1102126281 /nfs/dbraw/zinc/12/62/81/1102126281.db2.gz NUDMFCMSFAWMHR-UHFFFAOYSA-N -1 0 369.833 4.074 20 30 FIEDRM N#Cc1ccccc1-c1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089531802 1102617133 /nfs/dbraw/zinc/61/71/33/1102617133.db2.gz SGNATLAJNYCTPH-UHFFFAOYSA-N -1 0 359.341 4.091 20 30 FIEDRM Cc1ccc(-c2nc(C([O-])=C(C#N)c3nc4ccccc4n3C)cs2)o1 ZINC000123046598 1102757374 /nfs/dbraw/zinc/75/73/74/1102757374.db2.gz KZEHXNAQRZJVDH-LBPRGKRZSA-N -1 0 362.414 4.088 20 30 FIEDRM CCS[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1)C(C)C ZINC000067600603 1102998130 /nfs/dbraw/zinc/99/81/30/1102998130.db2.gz WJCQUWMEJLCCFF-LBPRGKRZSA-N -1 0 369.430 4.128 20 30 FIEDRM CC(C)[C@@H](SCc1ccccc1)C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000067599889 1103003468 /nfs/dbraw/zinc/00/34/68/1103003468.db2.gz UBSCMYDMDLKZPD-OAHLLOKOSA-N -1 0 369.533 4.351 20 30 FIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3nc(C)c(C)nc3C)n2)cc1 ZINC000551507981 1103293973 /nfs/dbraw/zinc/29/39/73/1103293973.db2.gz YEAHANSEHQQNQN-MRXNPFEDSA-N -1 0 362.458 4.324 20 30 FIEDRM Cc1cc(Cl)c2ccccc2c1[N-]S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000427306755 1103432672 /nfs/dbraw/zinc/43/26/72/1103432672.db2.gz DAIKWFYSIAZWHT-UHFFFAOYSA-N -1 0 371.849 4.178 20 30 FIEDRM CCOc1ncc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cc1Cl ZINC000430625081 1104037615 /nfs/dbraw/zinc/03/76/15/1104037615.db2.gz JASAXXMBUWTESR-LLVKDONJSA-N -1 0 363.870 4.378 20 30 FIEDRM C=CCc1cc(CNc2ccc(C[C@@H](CC)C(=O)[O-])cc2)cc(OC)c1O ZINC000417615378 1105016699 /nfs/dbraw/zinc/01/66/99/1105016699.db2.gz XGMIGVNVZSNDQZ-QGZVFWFLSA-N -1 0 369.461 4.395 20 30 FIEDRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2C#N)c1 ZINC000579537916 1105069150 /nfs/dbraw/zinc/06/91/50/1105069150.db2.gz LCZOKBJRLHJJEI-UHFFFAOYSA-N -1 0 374.771 4.340 20 30 FIEDRM N#Cc1cc([N-]S(=O)(=O)c2csc3ccccc32)nc2ccccc12 ZINC000508112855 1105321941 /nfs/dbraw/zinc/32/19/41/1105321941.db2.gz OFHISKLBAIZVOM-UHFFFAOYSA-N -1 0 365.439 4.122 20 30 FIEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](c2cccc(C)c2)C(C)(C)C)cc1C#N ZINC000088463411 1108003093 /nfs/dbraw/zinc/00/30/93/1108003093.db2.gz MZTQKVBNPQWCQT-MRXNPFEDSA-N -1 0 369.490 4.206 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3scnc3C)n2)cc1 ZINC000121508794 1108272561 /nfs/dbraw/zinc/27/25/61/1108272561.db2.gz NMMDOWMABLLYRC-CYBMUJFWSA-N -1 0 355.444 4.074 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c(F)c1 ZINC000523527993 1108306981 /nfs/dbraw/zinc/30/69/81/1108306981.db2.gz CRHBGMDBTNGVBY-UHFFFAOYSA-N -1 0 352.390 4.165 20 30 FIEDRM CC(C)Cn1cc(C([O-])=C(C#N)c2nc3ccccc3o2)c(C(F)F)n1 ZINC000453616903 1108662004 /nfs/dbraw/zinc/66/20/04/1108662004.db2.gz HNCPMLIZVHCQHZ-LLVKDONJSA-N -1 0 358.348 4.108 20 30 FIEDRM Cc1cc(CN=c2[n-]nc(Cc3cccc4ccccc43)o2)ccc1C#N ZINC000446957389 1109399078 /nfs/dbraw/zinc/39/90/78/1109399078.db2.gz MQJSMRVYROYHIG-UHFFFAOYSA-N -1 0 354.413 4.028 20 30 FIEDRM Cc1ccsc1S(=O)(=O)[N-]c1ccccc1SC[C@H](C)C#N ZINC000525534706 1109414579 /nfs/dbraw/zinc/41/45/79/1109414579.db2.gz OJOOPCHYIFMIKC-LLVKDONJSA-N -1 0 352.506 4.109 20 30 FIEDRM CO[C@H](C)c1nc(=Nc2ccc(Oc3ccc(C#N)cc3)cc2)s[n-]1 ZINC000509641616 1109449877 /nfs/dbraw/zinc/44/98/77/1109449877.db2.gz UGVJKTIYTIJDNB-GFCCVEGCSA-N -1 0 352.419 4.075 20 30 FIEDRM Cc1cc(CN=c2[n-]nc(SCc3ccc(C#N)cc3)s2)ccc1F ZINC000447966819 1109683301 /nfs/dbraw/zinc/68/33/01/1109683301.db2.gz XIAJACOIQSFTLF-UHFFFAOYSA-N -1 0 370.478 4.184 20 30 FIEDRM N#CCCCC(=O)N=c1nc(-c2cccc(Oc3ccccc3)c2)[n-]s1 ZINC000462078739 1111490395 /nfs/dbraw/zinc/49/03/95/1111490395.db2.gz IJBQFEIFDMBCRC-UHFFFAOYSA-N -1 0 364.430 4.052 20 30 FIEDRM CCN(c1ccc(C([O-])=C(C#N)c2nc3ccccc3s2)cn1)C(C)C ZINC000477838679 1111569817 /nfs/dbraw/zinc/56/98/17/1111569817.db2.gz ZCJXQMLAJOZJSO-HNNXBMFYSA-N -1 0 364.474 4.416 20 30 FIEDRM CCc1nc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)co1 ZINC000478544456 1111804868 /nfs/dbraw/zinc/80/48/68/1111804868.db2.gz BLRONURPYUTIAI-VIFPVBQESA-N -1 0 359.357 4.129 20 30 FIEDRM N#Cc1ccccc1S(=O)(=O)[N-]c1cccc(COC2CCCCC2)c1 ZINC000553373106 1111961290 /nfs/dbraw/zinc/96/12/90/1111961290.db2.gz NZFDMTNXMZXHNH-UHFFFAOYSA-N -1 0 370.474 4.208 20 30 FIEDRM CCCOc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(C)c1 ZINC000479480320 1112039337 /nfs/dbraw/zinc/03/93/37/1112039337.db2.gz NTJHABIBQHWOOZ-UHFFFAOYSA-N -1 0 364.854 4.110 20 30 FIEDRM N#CC(=C([O-])c1ocnc1C1CC1)c1nc(-c2c(F)cccc2F)cs1 ZINC000554776417 1112485066 /nfs/dbraw/zinc/48/50/66/1112485066.db2.gz XRICCACFVRTWCL-JTQLQIEISA-N -1 0 371.368 4.444 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cc3sc(N4CCCC4)nc3s2)n1 ZINC000555432429 1112840371 /nfs/dbraw/zinc/84/03/71/1112840371.db2.gz WKWRUYOUNMAKQH-SNVBAGLBSA-N -1 0 374.516 4.213 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cnn1CCC(C)C ZINC000160068725 1113288197 /nfs/dbraw/zinc/28/81/97/1113288197.db2.gz XKVBQTZHEGQCJT-AWEZNQCLSA-N -1 0 364.371 4.142 20 30 FIEDRM CCc1ncsc1C([O-])=C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000160576156 1113410967 /nfs/dbraw/zinc/41/09/67/1113410967.db2.gz AVLJWAUJIUGVDU-ZDUSSCGKSA-N -1 0 364.455 4.191 20 30 FIEDRM CN(C(=O)C1CC1)c1ccccc1C(=O)[C@H](C#N)c1nccc2ccccc21 ZINC000483208927 1113465757 /nfs/dbraw/zinc/46/57/57/1113465757.db2.gz BCPZDQHBCCDDHP-LJQANCHMSA-N -1 0 369.424 4.098 20 30 FIEDRM Cc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000483231000 1113472262 /nfs/dbraw/zinc/47/22/62/1113472262.db2.gz MXDSZNNCCNYEKX-IBGZPJMESA-N -1 0 352.397 4.219 20 30 FIEDRM N#CC(=C([O-])c1ncccc1OCC(F)(F)F)c1nccc2ccccc21 ZINC000483230480 1113472505 /nfs/dbraw/zinc/47/25/05/1113472505.db2.gz HEJCMTITMDZIOO-AWEZNQCLSA-N -1 0 371.318 4.061 20 30 FIEDRM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cnn(CCC(C)C)c1C(C)C ZINC000486110462 1113507494 /nfs/dbraw/zinc/50/74/94/1113507494.db2.gz QJRHGSBVMGFJAY-UHFFFAOYSA-N -1 0 374.510 4.034 20 30 FIEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)CCC(=O)c2ccc(C)cc2)cc1 ZINC000045098385 1114560406 /nfs/dbraw/zinc/56/04/06/1114560406.db2.gz IUKRJSCDWIUYRW-UHFFFAOYSA-N -1 0 373.474 4.256 20 30 FIEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000572056803 1114596107 /nfs/dbraw/zinc/59/61/07/1114596107.db2.gz AQKCWKJHDAOXCU-DOTOQJQBSA-N -1 0 374.362 4.323 20 30 FIEDRM COc1ccccc1-c1nc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cs1 ZINC000057740282 1114990723 /nfs/dbraw/zinc/99/07/23/1114990723.db2.gz CCQPFTSZMHUARZ-CYBMUJFWSA-N -1 0 374.425 4.185 20 30 FIEDRM N#Cc1cccc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1 ZINC000045774672 1115066452 /nfs/dbraw/zinc/06/64/52/1115066452.db2.gz DQFMHJGPUCFIDB-UHFFFAOYSA-N -1 0 361.637 4.319 20 30 FIEDRM O=C(Cc1ccccc1Cl)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000058034256 1115073420 /nfs/dbraw/zinc/07/34/20/1115073420.db2.gz OERGZRMXCGQCQG-UHFFFAOYSA-N -1 0 361.850 4.156 20 30 FIEDRM COc1ccc2c(c1)CCC[C@H]2CC(=O)[N-]S(=O)(=O)C1CCCCC1 ZINC000058081493 1115100423 /nfs/dbraw/zinc/10/04/23/1115100423.db2.gz KXVAHRZSRLDGFL-HNNXBMFYSA-N -1 0 365.495 4.124 20 30 FIEDRM CC(C)(C)OC(=O)c1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000592399458 1115223424 /nfs/dbraw/zinc/22/34/24/1115223424.db2.gz QHSCDCMOYGXXDM-OAHLLOKOSA-N -1 0 368.458 4.466 20 30 FIEDRM C=CCN(Cc1cccs1)C(=O)c1cccc(Br)c1[O-] ZINC000592448158 1115232845 /nfs/dbraw/zinc/23/28/45/1115232845.db2.gz QHPTWWHMYWGYLT-UHFFFAOYSA-N -1 0 352.253 4.045 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H](C)OC1CCCCCC1 ZINC000761001236 1115267894 /nfs/dbraw/zinc/26/78/94/1115267894.db2.gz JGAKDMLMUWRAOV-YJBOKZPZSA-N -1 0 366.461 4.496 20 30 FIEDRM N#CC(=C([O-])c1cc(-c2ccccc2)[nH]n1)c1nc2cc(F)ccc2s1 ZINC000592973238 1115272139 /nfs/dbraw/zinc/27/21/39/1115272139.db2.gz AZLGJKUUODJDLB-ZDUSSCGKSA-N -1 0 362.389 4.316 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)nn1C(C)(C)C ZINC000592973166 1115272292 /nfs/dbraw/zinc/27/22/92/1115272292.db2.gz AETPKKFJRAFSOT-LBPRGKRZSA-N -1 0 356.426 4.185 20 30 FIEDRM C[C@@H](Oc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccc1 ZINC000574073773 1115284873 /nfs/dbraw/zinc/28/48/73/1115284873.db2.gz UCGUSURJOLRZRA-CQSZACIVSA-N -1 0 368.414 4.092 20 30 FIEDRM CC(C)(C#N)c1ccc(CN=c2[n-]nc(Cc3ccc(Cl)cc3)o2)cc1 ZINC000593945708 1115354799 /nfs/dbraw/zinc/35/47/99/1115354799.db2.gz PACNFWWDXQNOLZ-UHFFFAOYSA-N -1 0 366.852 4.149 20 30 FIEDRM N#CC(=C([O-])c1ccc(Cl)cc1[N+](=O)[O-])c1nc2ccccc2s1 ZINC000046441387 1115356023 /nfs/dbraw/zinc/35/60/23/1115356023.db2.gz LHQAIWFNNCCHJW-LLVKDONJSA-N -1 0 357.778 4.348 20 30 FIEDRM CC(C)Oc1c(NCc2ccc(C3(C#N)CC3)cc2)cccc1C(=O)[O-] ZINC000594691889 1115475444 /nfs/dbraw/zinc/47/54/44/1115475444.db2.gz ZDZJVDADONQKQT-UHFFFAOYSA-N -1 0 350.418 4.339 20 30 FIEDRM C[C@H](Sc1ccc(NCc2ccc(C3(C#N)CC3)cc2)cc1)C(=O)[O-] ZINC000594689856 1115475878 /nfs/dbraw/zinc/47/58/78/1115475878.db2.gz GWVYNFVUSPBCFK-AWEZNQCLSA-N -1 0 352.459 4.419 20 30 FIEDRM O=C([O-])CCOc1cccc(/C=C2/CCc3ccc(Cl)cc3C2=O)c1 ZINC000761206813 1115621529 /nfs/dbraw/zinc/62/15/29/1115621529.db2.gz TVERLQDSMPQLAE-GDNBJRDFSA-N -1 0 356.805 4.406 20 30 FIEDRM N#CC[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])C1 ZINC000597905557 1115692527 /nfs/dbraw/zinc/69/25/27/1115692527.db2.gz FSSIPEMIMHDZSE-AWEZNQCLSA-N -1 0 354.837 4.478 20 30 FIEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1csc(C(C)C)n1 ZINC000171145661 1115843369 /nfs/dbraw/zinc/84/33/69/1115843369.db2.gz PYBLAJCYWKZHHM-CYBMUJFWSA-N -1 0 351.431 4.262 20 30 FIEDRM N#Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccccc3F)cc2)cc1 ZINC000604457644 1115866854 /nfs/dbraw/zinc/86/68/54/1115866854.db2.gz JKRNJIREMYHFQG-UHFFFAOYSA-N -1 0 368.389 4.290 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCC(=O)c1ccccc1 ZINC000173915307 1116100585 /nfs/dbraw/zinc/10/05/85/1116100585.db2.gz JGSHMGALZGZSAC-KRWDZBQOSA-N -1 0 358.397 4.031 20 30 FIEDRM CO[C@H](C)c1nc(=Nc2ccc(Oc3cccc(C#N)c3)cc2)s[n-]1 ZINC000509706679 1116229204 /nfs/dbraw/zinc/22/92/04/1116229204.db2.gz AMQTYNOXMOEYJQ-GFCCVEGCSA-N -1 0 352.419 4.075 20 30 FIEDRM Cc1cccn2cc(-c3ccc(NC(=O)c4ccc(C#N)c([O-])c4)cc3)nc12 ZINC000442722858 1116284786 /nfs/dbraw/zinc/28/47/86/1116284786.db2.gz QLLPLVXBAIQYEK-UHFFFAOYSA-N -1 0 368.396 4.139 20 30 FIEDRM Cc1csc(Sc2ccc(NC(=O)c3ccc(C#N)c([O-])c3)cc2)n1 ZINC000442729594 1116292543 /nfs/dbraw/zinc/29/25/43/1116292543.db2.gz KNPMDHHZGJVWCC-UHFFFAOYSA-N -1 0 367.455 4.432 20 30 FIEDRM COc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1Cc1ccccc1 ZINC000442898878 1116329027 /nfs/dbraw/zinc/32/90/27/1116329027.db2.gz MCBOBJHCHNOZRY-UHFFFAOYSA-N -1 0 358.397 4.116 20 30 FIEDRM CC[C@@H](C)n1nc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1C ZINC000539791498 1116380933 /nfs/dbraw/zinc/38/09/33/1116380933.db2.gz SWFRBRMMUROKHK-IUODEOHRSA-N -1 0 365.462 4.171 20 30 FIEDRM COc1ccc2nc(C([O-])=C(C#N)c3ccc(C(F)(F)F)cn3)ccc2c1 ZINC000539869400 1116394182 /nfs/dbraw/zinc/39/41/82/1116394182.db2.gz PKEPQFDOSMDJFC-CQSZACIVSA-N -1 0 371.318 4.147 20 30 FIEDRM N#Cc1cc(F)c(C(=O)[N-]c2nc(Sc3ccccc3)ns2)c(F)c1 ZINC000152896755 1117752917 /nfs/dbraw/zinc/75/29/17/1117752917.db2.gz WIBNQRLBWZEDGQ-UHFFFAOYSA-N -1 0 374.397 4.091 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3C#N)cc2)o1 ZINC000540213257 1117939886 /nfs/dbraw/zinc/93/98/86/1117939886.db2.gz ZMYUBVNHYPWLET-UHFFFAOYSA-N -1 0 354.387 4.053 20 30 FIEDRM Cc1nc(C(F)(F)F)sc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000464188431 1118476762 /nfs/dbraw/zinc/47/67/62/1118476762.db2.gz RZCDFEWVMZVKJD-QMMMGPOBSA-N -1 0 351.309 4.102 20 30 FIEDRM CC(C)(C)c1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(O)c1 ZINC000443527856 1118499176 /nfs/dbraw/zinc/49/91/76/1118499176.db2.gz HMRAJOHVASCPQM-UHFFFAOYSA-N -1 0 364.854 4.016 20 30 FIEDRM COc1nc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cc2ccccc21 ZINC000464411912 1118547318 /nfs/dbraw/zinc/54/73/18/1118547318.db2.gz OUPNJYONNCGTRC-CQSZACIVSA-N -1 0 371.318 4.147 20 30 FIEDRM CCOc1c(F)cccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464410858 1118547343 /nfs/dbraw/zinc/54/73/43/1118547343.db2.gz XEXDEHRXBFIWKW-GFCCVEGCSA-N -1 0 352.287 4.128 20 30 FIEDRM N#CCSc1cccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000464415111 1118548533 /nfs/dbraw/zinc/54/85/33/1118548533.db2.gz SFGDRLUYWCTOHH-CQSZACIVSA-N -1 0 361.348 4.206 20 30 FIEDRM N#CC(=C([O-])c1c[nH]nc1-c1ccc(F)cc1)c1cc(C(F)(F)F)ccn1 ZINC000464420762 1118551153 /nfs/dbraw/zinc/55/11/53/1118551153.db2.gz ZGXPEBZLKUSCAT-ZDUSSCGKSA-N -1 0 374.297 4.120 20 30 FIEDRM CCc1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cc1[N+](=O)[O-] ZINC000464403312 1118552841 /nfs/dbraw/zinc/55/28/41/1118552841.db2.gz GRIRWBXLGDQSDQ-CYBMUJFWSA-N -1 0 363.295 4.061 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)nn1-c1ccccc1 ZINC000464408506 1118554390 /nfs/dbraw/zinc/55/43/90/1118554390.db2.gz IZLOAJYBVLOEAR-OAHLLOKOSA-N -1 0 370.334 4.085 20 30 FIEDRM N#CC(=C([O-])c1cnc(-c2ccco2)s1)c1cc(C(F)(F)F)ccn1 ZINC000464431184 1118555096 /nfs/dbraw/zinc/55/50/96/1118555096.db2.gz UQYIVZIULHFRER-SNVBAGLBSA-N -1 0 363.320 4.307 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cnn1CCC(C)C ZINC000464466888 1118572486 /nfs/dbraw/zinc/57/24/86/1118572486.db2.gz MAKCHXRGZUTWNW-AWEZNQCLSA-N -1 0 364.371 4.142 20 30 FIEDRM COc1ccc2nc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)ccc2c1 ZINC000464468248 1118573029 /nfs/dbraw/zinc/57/30/29/1118573029.db2.gz MYZVPAXNGVZQSW-AWEZNQCLSA-N -1 0 371.318 4.147 20 30 FIEDRM Cc1nc(C)c(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)o1 ZINC000541718813 1118621962 /nfs/dbraw/zinc/62/19/62/1118621962.db2.gz RWVSJTGWFVDAJI-SNVBAGLBSA-N -1 0 359.357 4.183 20 30 FIEDRM C=CCC[C@H](NC(=O)N=c1ncn(C2CCCCC2)[n-]1)c1ccccc1 ZINC000541791684 1118647911 /nfs/dbraw/zinc/64/79/11/1118647911.db2.gz LTENJYRUNJAPAF-SFHVURJKSA-N -1 0 353.470 4.034 20 30 FIEDRM N#CC(=C([O-])c1nccnc1Sc1ccccc1)c1nc2ccccc2o1 ZINC000542284224 1118881656 /nfs/dbraw/zinc/88/16/56/1118881656.db2.gz MQPJEIJUNPPJDZ-AWEZNQCLSA-N -1 0 372.409 4.259 20 30 FIEDRM C[C@H](Oc1cccc(C(=O)/C=C/c2ccc(F)c(C#N)c2Cl)c1)C(=O)[O-] ZINC000761477126 1119072284 /nfs/dbraw/zinc/07/22/84/1119072284.db2.gz LVDWUDRUAHBBOB-IOCXFXADSA-N -1 0 373.767 4.099 20 30 FIEDRM Cc1ncncc1C([O-])=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000613319787 1119472436 /nfs/dbraw/zinc/47/24/36/1119472436.db2.gz OXSXKMFHDIMTEG-CYBMUJFWSA-N -1 0 354.822 4.052 20 30 FIEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000174744173 1119545512 /nfs/dbraw/zinc/54/55/12/1119545512.db2.gz XWSNUSMJOWNKKR-UHFFFAOYSA-N -1 0 353.403 4.028 20 30 FIEDRM C=C(C)[C@@H](NC(=O)CC1(CC(=O)[O-])CCCC1)c1ccc(F)c(F)c1 ZINC000186827938 1119751158 /nfs/dbraw/zinc/75/11/58/1119751158.db2.gz MUDBWKMMYLVJBR-GOSISDBHSA-N -1 0 351.393 4.123 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)c2c(n1)onc2C(C)C ZINC000194376777 1120264702 /nfs/dbraw/zinc/26/47/02/1120264702.db2.gz FEKLQRLUQHSIHI-ZDUSSCGKSA-N -1 0 360.373 4.286 20 30 FIEDRM COc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])cc1OC1CCCC1 ZINC000914557568 1120361893 /nfs/dbraw/zinc/36/18/93/1120361893.db2.gz KBSRPYPQKFQCST-UHFFFAOYSA-N -1 0 356.378 4.381 20 30 FIEDRM C[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccc(OC(F)(F)F)cc1 ZINC000914701786 1120477886 /nfs/dbraw/zinc/47/78/86/1120477886.db2.gz QDSHROATLYSFIH-KTMXNEEYSA-N -1 0 354.284 4.379 20 30 FIEDRM CCOC(=O)N[C@H](C/N=C/c1cc(Cl)cc(Cl)c1[O-])CC(C)C ZINC000915112901 1120819571 /nfs/dbraw/zinc/81/95/71/1120819571.db2.gz JTAOMEQRYXOHKZ-UJHWAJGWSA-N -1 0 361.269 4.279 20 30 FIEDRM O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1sccc1Br ZINC000915113015 1120819883 /nfs/dbraw/zinc/81/98/83/1120819883.db2.gz LJDQZGNMIXOEOT-RQOWECAXSA-N -1 0 354.181 4.021 20 30 FIEDRM Cc1cc(C)c2c(c1)C(=O)/C(=C/c1ccc(OCCC(=O)[O-])cc1)CCO2 ZINC000763115881 1121134153 /nfs/dbraw/zinc/13/41/53/1121134153.db2.gz FXROBQUSBGZYBL-GHRIWEEISA-N -1 0 366.413 4.206 20 30 FIEDRM COc1cc(/C=C2/C(=O)c3cccc4c3[C@H]2CCC4)cc([N+](=O)[O-])c1[O-] ZINC000763288714 1121318029 /nfs/dbraw/zinc/31/80/29/1121318029.db2.gz IQGJNLBYMWUKAU-LIOBOASVSA-N -1 0 351.358 4.009 20 30 FIEDRM CC(N=Nc1nc(C(F)(F)F)nc2ccccc21)c1ccc(C(=O)[O-])cc1 ZINC000915953811 1121351877 /nfs/dbraw/zinc/35/18/77/1121351877.db2.gz DFNWQOPQZNQKHM-UHFFFAOYSA-N -1 0 374.322 4.183 20 30 FIEDRM CCCCn1nc(C)c(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)c1Cl ZINC000915987734 1121367463 /nfs/dbraw/zinc/36/74/63/1121367463.db2.gz JYJFJQRJUHVTMZ-MDZDMXLPSA-N -1 0 360.841 4.168 20 30 FIEDRM O=C([O-])c1ccc(C(=O)/C=C/c2ccccc2OCc2cccnc2)s1 ZINC000915988381 1121367873 /nfs/dbraw/zinc/36/78/73/1121367873.db2.gz VQPLZNIVXGHLSQ-BQYQJAHWSA-N -1 0 365.410 4.316 20 30 FIEDRM CCCOc1c(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)cccc1OCC ZINC000915988543 1121368243 /nfs/dbraw/zinc/36/82/43/1121368243.db2.gz ZRWQFXPKUFSCOF-OUKQBFOZSA-N -1 0 368.429 4.397 20 30 FIEDRM O=C([O-])c1ccc(NN=Cc2c[nH]c3ccc(Br)cc23)cc1 ZINC000916240888 1121450223 /nfs/dbraw/zinc/45/02/23/1121450223.db2.gz SQMOJHUUYZSZAR-UHFFFAOYSA-N -1 0 358.195 4.075 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)Cc1ccccc1-2 ZINC000916875058 1121905523 /nfs/dbraw/zinc/90/55/23/1121905523.db2.gz QNIBNEASXISBGL-OAQYLSRUSA-N -1 0 360.457 4.277 20 30 FIEDRM COc1cccc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000066544946 1122072166 /nfs/dbraw/zinc/07/21/66/1122072166.db2.gz HDQBAIGTQWKRSW-KRWDZBQOSA-N -1 0 359.410 4.180 20 30 FIEDRM Cc1nc(C)c(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)s1 ZINC000066544807 1122072527 /nfs/dbraw/zinc/07/25/27/1122072527.db2.gz GZSTYKFSEYVJLQ-CQSZACIVSA-N -1 0 364.455 4.245 20 30 FIEDRM N#CC(=C([O-])c1ccc2c(c1)CCCC2=O)c1nc(-c2ccncc2)cs1 ZINC000497367857 1122166502 /nfs/dbraw/zinc/16/65/02/1122166502.db2.gz UTZLQLQYYVWWLU-KRWDZBQOSA-N -1 0 373.437 4.214 20 30 FIEDRM N#CC(=C([O-])c1cnn(-c2ccc(Cl)cc2)c1)c1nc2ccccc2o1 ZINC000054736264 1122195435 /nfs/dbraw/zinc/19/54/35/1122195435.db2.gz INNCXOYSIXJWEV-HNNXBMFYSA-N -1 0 362.776 4.157 20 30 FIEDRM C=CCC(CC=C)C(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000128312859 1122235279 /nfs/dbraw/zinc/23/52/79/1122235279.db2.gz LDRSXXLOQLGDCB-UHFFFAOYSA-N -1 0 370.474 4.194 20 30 FIEDRM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(OCC#N)c2)c1Cl ZINC000917745037 1122424842 /nfs/dbraw/zinc/42/48/42/1122424842.db2.gz CRHCOBOWNWPLJZ-UHFFFAOYSA-N -1 0 371.245 4.005 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3ncoc3C3CC3)n2)cc1 ZINC000556701824 1123047241 /nfs/dbraw/zinc/04/72/41/1123047241.db2.gz AXTIVSGSISTZGO-CQSZACIVSA-N -1 0 365.414 4.174 20 30 FIEDRM CC(C)Oc1ccc(C#N)cc1[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000919958996 1123285339 /nfs/dbraw/zinc/28/53/39/1123285339.db2.gz AAPVGQGZAIDFNT-UHFFFAOYSA-N -1 0 368.458 4.074 20 30 FIEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C\c1ccc(N3CCCCC3)cc1)CC2 ZINC000920067742 1123327502 /nfs/dbraw/zinc/32/75/02/1123327502.db2.gz CPFPVEUAMFPTTH-SSZFMOIBSA-N -1 0 365.429 4.489 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)Cc1ccc2c(c1)CCCC2 ZINC000920102535 1123350278 /nfs/dbraw/zinc/35/02/78/1123350278.db2.gz UMBSMWBCJKFRKY-HXUWFJFHSA-N -1 0 370.452 4.489 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCCc1cccs1 ZINC000920101442 1123350336 /nfs/dbraw/zinc/35/03/36/1123350336.db2.gz AGRKOMUQEPPIDF-MRXNPFEDSA-N -1 0 350.443 4.452 20 30 FIEDRM CCOC(=O)[C@H](Cc1ccccc1)/N=C\c1cc(Cl)cc(Cl)c1[O-] ZINC000920174044 1123403289 /nfs/dbraw/zinc/40/32/89/1123403289.db2.gz JDJDYQOYVRKTIJ-SJJOQSKNSA-N -1 0 366.244 4.292 20 30 FIEDRM CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(OCC(F)(F)F)cc1 ZINC000920480064 1123466955 /nfs/dbraw/zinc/46/69/55/1123466955.db2.gz XYSROXNMSCQRCT-UHFFFAOYSA-N -1 0 352.312 4.162 20 30 FIEDRM Cc1cccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)c1[N+](=O)[O-] ZINC000609321508 1123535375 /nfs/dbraw/zinc/53/53/75/1123535375.db2.gz BWVVBGRGDGRJAZ-GFCCVEGCSA-N -1 0 355.350 4.142 20 30 FIEDRM CCOc1ccc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)cc1OCC ZINC000920991992 1123544670 /nfs/dbraw/zinc/54/46/70/1123544670.db2.gz WWMVVJGOZSLUST-XFFZJAGNSA-N -1 0 354.402 4.007 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H](C)Cc1ccc(F)cc1 ZINC000921133430 1123568836 /nfs/dbraw/zinc/56/88/36/1123568836.db2.gz MHTSECTUVZICEY-UGSOOPFHSA-N -1 0 362.404 4.386 20 30 FIEDRM CC[C@H](C)[C@H](C(=O)OCC([O-])=C(C#N)c1nc(C)cs1)c1ccccc1 ZINC000921254119 1123596086 /nfs/dbraw/zinc/59/60/86/1123596086.db2.gz YCBANPJLYJUEFA-OWQGQXMQSA-N -1 0 370.474 4.001 20 30 FIEDRM N#CC(=C([O-])c1ccccc1[N+](=O)[O-])c1nc2cc(Cl)ccc2s1 ZINC000076606860 1123614191 /nfs/dbraw/zinc/61/41/91/1123614191.db2.gz KLFZOVOWIAJJQA-LLVKDONJSA-N -1 0 357.778 4.348 20 30 FIEDRM Cc1cc(S(=O)(=O)[O-])c(Nc2ccc(C3(C#N)CC3)cc2)cc1Cl ZINC001212257905 1123702590 /nfs/dbraw/zinc/70/25/90/1123702590.db2.gz LENHEQLXLITDRG-UHFFFAOYSA-N -1 0 362.838 4.194 20 30 FIEDRM N#CC(=C([O-])c1cc(Cl)cc([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000609959467 1123897465 /nfs/dbraw/zinc/89/74/65/1123897465.db2.gz YOGAVLQQPILDDB-GFCCVEGCSA-N -1 0 357.778 4.348 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccccc2OC[C@H]2CCCO2)n1 ZINC000080449696 1123965809 /nfs/dbraw/zinc/96/58/09/1123965809.db2.gz BYCVIGRDPMZKGX-ZBFHGGJFSA-N -1 0 370.474 4.314 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(Cl)c(Cl)c2)n1 ZINC000067895698 1123983387 /nfs/dbraw/zinc/98/33/87/1123983387.db2.gz CRLNIUMAEBNZKI-VIFPVBQESA-N -1 0 369.229 4.117 20 30 FIEDRM N#Cc1ccc([O-])c(NC(=O)c2cc(-c3ccncc3)nc3ccccc32)c1 ZINC000179735822 1124046414 /nfs/dbraw/zinc/04/64/14/1124046414.db2.gz HMKDVLMLEZHISS-UHFFFAOYSA-N -1 0 366.380 4.126 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)nn1-c1cc(C)cc(C)c1 ZINC000179830474 1124112654 /nfs/dbraw/zinc/11/26/54/1124112654.db2.gz JIBGNRXBDFTZLK-KRWDZBQOSA-N -1 0 369.428 4.164 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)nn1-c1cc(C)cc(C)c1 ZINC000179917094 1124142600 /nfs/dbraw/zinc/14/26/00/1124142600.db2.gz BIVXCBLBTXPSID-QGZVFWFLSA-N -1 0 370.412 4.429 20 30 FIEDRM C[C@@H](Cc1cccc(F)c1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000069286591 1124720882 /nfs/dbraw/zinc/72/08/82/1124720882.db2.gz NGEKHIKIDCZAGT-JTQLQIEISA-N -1 0 373.808 4.142 20 30 FIEDRM CCCc1c(C([O-])=C(C#N)c2nc3ccccc3o2)cnn1-c1ccccc1 ZINC000181501198 1124976198 /nfs/dbraw/zinc/97/61/98/1124976198.db2.gz NGIWXYMMOKBOQQ-INIZCTEOSA-N -1 0 370.412 4.456 20 30 FIEDRM CC(C)(C)c1cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)n[nH]1 ZINC000076552674 1125000410 /nfs/dbraw/zinc/00/04/10/1125000410.db2.gz WAPDUDDYNPDSGA-ZDUSSCGKSA-N -1 0 350.447 4.321 20 30 FIEDRM CCCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000070030935 1125243884 /nfs/dbraw/zinc/24/38/84/1125243884.db2.gz YAJXMJHSUJZHNZ-WDEREUQCSA-N -1 0 350.267 4.183 20 30 FIEDRM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000541859459 568018844 /nfs/dbraw/zinc/01/88/44/568018844.db2.gz GIUIYDVROBMIJQ-UHFFFAOYSA-N -1 0 364.854 4.108 20 30 FIEDRM CCCCc1ccc(C([O-])=C(C#N)c2nc(C(=O)OCC)cs2)cc1 ZINC000604433385 568286776 /nfs/dbraw/zinc/28/67/76/568286776.db2.gz QHIXAWOZQOGQMD-HNNXBMFYSA-N -1 0 356.447 4.152 20 30 FIEDRM CCCCN(C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)[C@H]1CCC[C@H](C)C1 ZINC000570842834 568539878 /nfs/dbraw/zinc/53/98/78/568539878.db2.gz UNEDXULNEVVJBZ-YJBOKZPZSA-N -1 0 371.525 4.416 20 30 FIEDRM O=C(Cc1cccs1)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000069641484 1125078952 /nfs/dbraw/zinc/07/89/52/1125078952.db2.gz RTFKQXNNSGDPMJ-UHFFFAOYSA-N -1 0 356.277 4.004 20 30 FIEDRM Cc1cc(F)ccc1-n1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)n1 ZINC000183024143 1125722401 /nfs/dbraw/zinc/72/24/01/1125722401.db2.gz PQXQEYNJPYVDEK-AWEZNQCLSA-N -1 0 368.437 4.390 20 30 FIEDRM CCn1c2cc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)ccc2[nH]c1=O ZINC000654991935 1079823081 /nfs/dbraw/zinc/82/30/81/1079823081.db2.gz QJEHCHGEGSEMPT-LBPRGKRZSA-N -1 0 368.462 4.006 20 30 FIEDRM CCCCn1ncc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)c1CC ZINC000683221894 1080027261 /nfs/dbraw/zinc/02/72/61/1080027261.db2.gz BAWIHROLXUJAGI-ZDUSSCGKSA-N -1 0 370.453 4.484 20 30 FIEDRM Cc1cccc(S(=O)(=O)[N-]c2ccccc2SC[C@H](C)C#N)c1F ZINC000180509920 1080505374 /nfs/dbraw/zinc/50/53/74/1080505374.db2.gz BYFZGBWREXVOCY-GFCCVEGCSA-N -1 0 364.467 4.187 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cnn(C(C)C)c2-c2ccccc2)n1 ZINC000579905876 1080943618 /nfs/dbraw/zinc/94/36/18/1080943618.db2.gz QVJVJYURZNDIKG-HNNXBMFYSA-N -1 0 350.447 4.386 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCc1cc(F)ccc1F ZINC000120975424 1081128301 /nfs/dbraw/zinc/12/83/01/1081128301.db2.gz FNLJZVVJMDDLRZ-INIZCTEOSA-N -1 0 366.367 4.279 20 30 FIEDRM COc1ccccc1C(C)=CC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000255123738 1081294960 /nfs/dbraw/zinc/29/49/60/1081294960.db2.gz OWPXDDHLYXOCON-RXXLQFRUSA-N -1 0 372.424 4.480 20 30 FIEDRM CCCOc1cccc(C([O-])=C(C#N)C(=O)c2c(C)[nH]c3ccccc32)c1 ZINC000121063259 1081335099 /nfs/dbraw/zinc/33/50/99/1081335099.db2.gz LRIWHPMQMDIGHY-SFHVURJKSA-N -1 0 360.413 4.471 20 30 FIEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1cccc(OC(F)F)c1 ZINC000121101063 1081439367 /nfs/dbraw/zinc/43/93/67/1081439367.db2.gz SFJSNFLDGXLQSC-HNNXBMFYSA-N -1 0 368.339 4.283 20 30 FIEDRM N#Cc1cc(Oc2ccc(NC(=O)c3cc(O)ccc3Cl)cc2)ccn1 ZINC000560816351 1081568861 /nfs/dbraw/zinc/56/88/61/1081568861.db2.gz BQVOIPCGJUJWIU-UHFFFAOYSA-N -1 0 365.776 4.357 20 30 FIEDRM O=C([N-]S(=O)(=O)Cc1ccc(F)cc1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000050204984 1081921676 /nfs/dbraw/zinc/92/16/76/1081921676.db2.gz BTSJUAMTVDNQBX-HZPDHXFCSA-N -1 0 367.829 4.069 20 30 FIEDRM CC(=O)c1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)ccc1C ZINC000684008209 1082067224 /nfs/dbraw/zinc/06/72/24/1082067224.db2.gz AJQGLPYIGJBNRK-OAHLLOKOSA-N -1 0 352.390 4.437 20 30 FIEDRM CCc1ccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cc1[N+](=O)[O-] ZINC000610468051 1082218962 /nfs/dbraw/zinc/21/89/62/1082218962.db2.gz RKIMHCIBZZXFSV-ZDUSSCGKSA-N -1 0 369.377 4.396 20 30 FIEDRM Cc1c(C([O-])=C(C#N)C(=O)NC2CCCCC2)oc2c1c(C)ccc2C ZINC000121271042 1082294891 /nfs/dbraw/zinc/29/48/91/1082294891.db2.gz BPQYTXFIMQGXMX-INIZCTEOSA-N -1 0 352.434 4.129 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2occc2Br)s1 ZINC000430594933 1082544299 /nfs/dbraw/zinc/54/42/99/1082544299.db2.gz SPPCFTSGSZITJS-MRVPVSSYSA-N -1 0 353.241 4.286 20 30 FIEDRM O=C(Nc1cccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1)C1CC1 ZINC000255343182 1082763095 /nfs/dbraw/zinc/76/30/95/1082763095.db2.gz WVWVSUIQMIKFGB-UHFFFAOYSA-N -1 0 359.769 4.053 20 30 FIEDRM Cc1nn(-c2ccccc2)cc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430630708 1082768889 /nfs/dbraw/zinc/76/88/89/1082768889.db2.gz SFBWSPGDIBXJHT-OAHLLOKOSA-N -1 0 364.474 4.425 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)nn1-c1ccccc1 ZINC000430636642 1082791222 /nfs/dbraw/zinc/79/12/22/1082791222.db2.gz ZAIRLSRKIOMPEG-HNNXBMFYSA-N -1 0 364.474 4.425 20 30 FIEDRM Cc1ccc2c(CC(=O)[N-]S(=O)(=O)[C@@H](C)c3ccccc3)c[nH]c2c1 ZINC000077881811 1082798848 /nfs/dbraw/zinc/79/88/48/1082798848.db2.gz HLGDGBZUGFOKSB-AWEZNQCLSA-N -1 0 356.447 4.066 20 30 FIEDRM CC(C)Oc1ccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)nc1 ZINC000581706268 1082826797 /nfs/dbraw/zinc/82/67/97/1082826797.db2.gz UDAPGJRAYRWWAH-MRXNPFEDSA-N -1 0 363.442 4.482 20 30 FIEDRM N#CC(=C([O-])c1cccc(C#N)n1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000685784374 1083914514 /nfs/dbraw/zinc/91/45/14/1083914514.db2.gz DAIMIOVDZFOMPL-AWEZNQCLSA-N -1 0 364.817 4.220 20 30 FIEDRM O=C(Cn1ccc2ccc(Cl)cc21)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000066002863 1083943976 /nfs/dbraw/zinc/94/39/76/1083943976.db2.gz CBNCVYGJJWOQRZ-PKNBQFBNSA-N -1 0 374.849 4.252 20 30 FIEDRM COc1ccc(-c2ocnc2C([O-])=C(C#N)c2nccc3ccccc32)cc1 ZINC000584493896 1083965747 /nfs/dbraw/zinc/96/57/47/1083965747.db2.gz NWKQRDBNVHYCDO-GOSISDBHSA-N -1 0 369.380 4.388 20 30 FIEDRM CC(C)(C#N)c1ccc(NC(=O)[C@](C)(CC(=O)[O-])C2CCCCC2)cc1 ZINC000236687814 1083970487 /nfs/dbraw/zinc/97/04/87/1083970487.db2.gz QGLPRRIWQIXHEH-OAQYLSRUSA-N -1 0 356.466 4.488 20 30 FIEDRM CC(C)CCn1cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)nn1 ZINC000158784623 1084125916 /nfs/dbraw/zinc/12/59/16/1084125916.db2.gz GTUJNLZODYVFLJ-GFCCVEGCSA-N -1 0 373.869 4.077 20 30 FIEDRM COc1ccc(Br)cc1/C=C\C(=O)c1ccc([O-])c(F)c1 ZINC000728438138 1084144216 /nfs/dbraw/zinc/14/42/16/1084144216.db2.gz AZAXAWWSFZKIJK-HYXAFXHYSA-N -1 0 351.171 4.199 20 30 FIEDRM Cc1nn(C(C)(C)C)c(C)c1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000684674085 1084183853 /nfs/dbraw/zinc/18/38/53/1084183853.db2.gz FCCXTRBESCDLMN-CYBMUJFWSA-N -1 0 358.511 4.499 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2ccc3ccccc3n2)nn1-c1ccccc1 ZINC000613292199 1084552248 /nfs/dbraw/zinc/55/22/48/1084552248.db2.gz CGBYRVUBWGNBOJ-GOSISDBHSA-N -1 0 352.397 4.219 20 30 FIEDRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCCC2)[C@H]1C[C@@H]1c1ccccc1 ZINC000066504440 1084574205 /nfs/dbraw/zinc/57/42/05/1084574205.db2.gz CGCFCPWPRZOCEH-MOPGFXCFSA-N -1 0 355.459 4.014 20 30 FIEDRM C=CCN(C(=O)Nc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000582397522 1084956797 /nfs/dbraw/zinc/95/67/97/1084956797.db2.gz HXZQAICNKWFJCL-KRWDZBQOSA-N -1 0 358.825 4.056 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc3cc(C(F)(F)F)ccc3s2)ccn1C ZINC000684948575 1085286597 /nfs/dbraw/zinc/28/65/97/1085286597.db2.gz XXAYBPITMCVTIM-GFCCVEGCSA-N -1 0 363.364 4.452 20 30 FIEDRM O=C(/C=C\c1cc([O-])ccc1[N+](=O)[O-])c1cc(Br)cs1 ZINC000782367958 1085783343 /nfs/dbraw/zinc/78/33/43/1085783343.db2.gz BACDMBMRTIGNSY-RJRFIUFISA-N -1 0 354.181 4.021 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cnccc2C(F)(F)F)s1 ZINC000566453899 1086225962 /nfs/dbraw/zinc/22/59/62/1086225962.db2.gz YQCDBNSUACIXGS-SECBINFHSA-N -1 0 353.369 4.344 20 30 FIEDRM N#CC(=C([O-])c1csc([C@@H]2CCCO2)n1)c1nc2ccccc2s1 ZINC000535976328 1086480950 /nfs/dbraw/zinc/48/09/50/1086480950.db2.gz YUVJGYULNWGZMV-MFKMUULPSA-N -1 0 355.444 4.094 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Nc2ccccc2)o1 ZINC000584075218 1087158972 /nfs/dbraw/zinc/15/89/72/1087158972.db2.gz WYEBSRZVBUMSPR-UHFFFAOYSA-N -1 0 373.821 4.349 20 30 FIEDRM N#CC(=C([O-])C=Cc1nc2ccccc2s1)c1cnc2ccccc2n1 ZINC000588587597 1087177869 /nfs/dbraw/zinc/17/78/69/1087177869.db2.gz JNZGDLLFPQLXRU-ASCRHOAZSA-N -1 0 356.410 4.129 20 30 FIEDRM Cc1cc(C#N)ccc1C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000534941655 1087412978 /nfs/dbraw/zinc/41/29/78/1087412978.db2.gz VVPVASZCJFSPPD-UHFFFAOYSA-N -1 0 365.614 4.241 20 30 FIEDRM CC(C)c1noc2ncc(C([O-])=C(C#N)c3nc(C4CC4)cs3)cc21 ZINC000647373660 1087789915 /nfs/dbraw/zinc/78/99/15/1087789915.db2.gz MGOPHFAGTCWYJR-CYBMUJFWSA-N -1 0 352.419 4.170 20 30 FIEDRM CCCn1nccc1C([O-])=C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000659041816 1087957107 /nfs/dbraw/zinc/95/71/07/1087957107.db2.gz INAIRBZVWWMAAX-HNNXBMFYSA-N -1 0 350.447 4.215 20 30 FIEDRM CC(C)c1nc(/C=C/c2ccc(C#N)cc2C(F)(F)F)ncc1C(=O)[O-] ZINC000514639036 1089295794 /nfs/dbraw/zinc/29/57/94/1089295794.db2.gz SFFRWPWZXCDURN-AATRIKPKSA-N -1 0 361.323 4.359 20 30 FIEDRM CC(=O)c1ncc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)C)C3)s1 ZINC000415741051 1089885887 /nfs/dbraw/zinc/88/58/87/1089885887.db2.gz KBHIMKRXFIACMD-NSHDSACASA-N -1 0 373.503 4.292 20 30 FIEDRM CC(C)(C(=O)N=c1[nH][n-]c(C2CC2)c1C#N)c1ccc(-c2ccccc2)cc1 ZINC000515397052 1090006936 /nfs/dbraw/zinc/00/69/36/1090006936.db2.gz ZXBRNLGQWIOYJW-UHFFFAOYSA-N -1 0 370.456 4.164 20 30 FIEDRM CCCN(CC)c1ccc(C([O-])=C(C#N)c2nc3ccccc3s2)cn1 ZINC000122861292 1090113533 /nfs/dbraw/zinc/11/35/33/1090113533.db2.gz YHYDAOASFQMNBT-HNNXBMFYSA-N -1 0 364.474 4.418 20 30 FIEDRM CCCN(CC)c1ccc(C([O-])=C(C#N)c2nc3ccccc3s2)cn1 ZINC000122861064 1090114703 /nfs/dbraw/zinc/11/47/03/1090114703.db2.gz YHYDAOASFQMNBT-OAHLLOKOSA-N -1 0 364.474 4.418 20 30 FIEDRM Cc1nc(C)c(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)nc1C ZINC000468700013 1090700399 /nfs/dbraw/zinc/70/03/99/1090700399.db2.gz MXOBODGOPDQJRC-LBPRGKRZSA-N -1 0 356.838 4.155 20 30 FIEDRM Cc1nc(-c2ccc(CC/N=C/c3cc([N+](=O)[O-])ccc3[O-])cc2)cs1 ZINC000015149816 1091473675 /nfs/dbraw/zinc/47/36/75/1091473675.db2.gz SQJVCNJJEQUMHC-RGVLZGJSSA-N -1 0 367.430 4.394 20 30 FIEDRM Cc1ccc(-c2cc(C([O-])=C(C#N)c3nc4ccccc4o3)n[nH]2)cc1C ZINC000187290126 1091866522 /nfs/dbraw/zinc/86/65/22/1091866522.db2.gz FRTLDJNUKCRNQK-OAHLLOKOSA-N -1 0 356.385 4.325 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2ccccc2OCCc2ccccc2)cc1[O-] ZINC000442879918 1092833493 /nfs/dbraw/zinc/83/34/93/1092833493.db2.gz WRRIUTQYBOCVEM-UHFFFAOYSA-N -1 0 358.397 4.138 20 30 FIEDRM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccccc1SCCC#N ZINC000521713365 1092871507 /nfs/dbraw/zinc/87/15/07/1092871507.db2.gz OUVOUPMNOKGESC-UHFFFAOYSA-N -1 0 366.895 4.455 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)cc1[O-] ZINC000442948431 1092882048 /nfs/dbraw/zinc/88/20/48/1092882048.db2.gz AHAKOCXCGBXFGP-UHFFFAOYSA-N -1 0 372.359 4.199 20 30 FIEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1cccc(-n2cccc2)c1 ZINC000121088690 1093153296 /nfs/dbraw/zinc/15/32/96/1093153296.db2.gz PRCNHTYSGXPGCZ-IBGZPJMESA-N -1 0 367.408 4.472 20 30 FIEDRM CC(C)(C)c1ncc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)s1 ZINC000114620705 1093659795 /nfs/dbraw/zinc/65/97/95/1093659795.db2.gz JTEJKBNDJJCHAO-LBPRGKRZSA-N -1 0 368.487 4.449 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2cc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000474432757 1093777778 /nfs/dbraw/zinc/77/77/78/1093777778.db2.gz NRZYORACRSRAER-GFCCVEGCSA-N -1 0 355.375 4.411 20 30 FIEDRM Cc1cccc(Oc2ccccc2[N-]S(=O)(=O)c2ccc(C#N)o2)c1 ZINC000574232971 1094237992 /nfs/dbraw/zinc/23/79/92/1094237992.db2.gz ZPWJJRGXYWXAPU-UHFFFAOYSA-N -1 0 354.387 4.053 20 30 FIEDRM N#C[C@H](C(=O)c1cc(-c2ccccc2Cl)[nH]n1)c1nc2ccccc2[nH]1 ZINC000041494346 1094620313 /nfs/dbraw/zinc/62/03/13/1094620313.db2.gz FZYKPWRSUKRPNR-GFCCVEGCSA-N -1 0 361.792 4.096 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cnn(-c3ccc(F)cc3)c2C(C)C)n1 ZINC000041515834 1094639659 /nfs/dbraw/zinc/63/96/59/1094639659.db2.gz FZDQUDGJDQKREK-OAHLLOKOSA-N -1 0 368.437 4.390 20 30 FIEDRM CCOc1c(Cl)cc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1OC ZINC000041547953 1094648547 /nfs/dbraw/zinc/64/85/47/1094648547.db2.gz JQCNJIDMYVGQFR-GFCCVEGCSA-N -1 0 370.792 4.379 20 30 FIEDRM Cc1nn(-c2cccc(F)c2)cc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000420266883 1094844624 /nfs/dbraw/zinc/84/46/24/1094844624.db2.gz CPDHBXVXVQHEAI-HNNXBMFYSA-N -1 0 368.437 4.390 20 30 FIEDRM O=C([N-]S(=O)(=O)c1ccccc1Cl)c1ccc(Cl)cc1Cl ZINC000028459874 1095668606 /nfs/dbraw/zinc/66/86/06/1095668606.db2.gz ZDQABNBQOVJBGA-UHFFFAOYSA-N -1 0 364.637 4.340 20 30 FIEDRM O=C([N-]S(=O)(=O)c1cccc(Cl)c1)c1ccc(Cl)cc1Cl ZINC000028461762 1095682731 /nfs/dbraw/zinc/68/27/31/1095682731.db2.gz WNZYDSHFADUYSA-UHFFFAOYSA-N -1 0 364.637 4.340 20 30 FIEDRM C[C@@H](C(=O)[N-][C@@H](c1ccc(F)c(Cl)c1)C(F)(F)F)C(F)(F)F ZINC000436467580 1099034947 /nfs/dbraw/zinc/03/49/47/1099034947.db2.gz DUFAZBIEVVIJLI-CDUCUWFYSA-N -1 0 351.649 4.397 20 30 FIEDRM CC(C)c1nn(C)cc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000516270394 1099336615 /nfs/dbraw/zinc/33/66/15/1099336615.db2.gz WILLDZXCRYYBDR-LLVKDONJSA-N -1 0 358.854 4.297 20 30 FIEDRM N#Cc1cc(Oc2ccc(NC(=O)c3ccc([O-])c(Cl)c3)cc2)ccn1 ZINC000436943432 1099457171 /nfs/dbraw/zinc/45/71/71/1099457171.db2.gz YVAJRDNTRZOQFS-UHFFFAOYSA-N -1 0 365.776 4.357 20 30 FIEDRM CC(C)(CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000067784327 1099992847 /nfs/dbraw/zinc/99/28/47/1099992847.db2.gz MMFNJCISIPGUQQ-UHFFFAOYSA-N -1 0 351.855 4.353 20 30 FIEDRM O=C(Nc1cccc(C#Cc2ccccc2)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000506088094 1100068245 /nfs/dbraw/zinc/06/82/45/1100068245.db2.gz UESNWEAWPJCFJC-UHFFFAOYSA-N -1 0 364.404 4.180 20 30 FIEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(Br)c1[O-] ZINC000518572213 1101317979 /nfs/dbraw/zinc/31/79/79/1101317979.db2.gz AQHYQONOGXXHAD-UHFFFAOYSA-N -1 0 373.250 4.079 20 30 FIEDRM Cc1cc(Oc2ccc(C#N)cc2)ccc1[N-]S(=O)(=O)c1ccoc1 ZINC000506729976 1101943316 /nfs/dbraw/zinc/94/33/16/1101943316.db2.gz KMYXPBRTXRJRNP-UHFFFAOYSA-N -1 0 354.387 4.053 20 30 FIEDRM Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2cccc(C)c2C#N)cs1 ZINC000475824081 1101973656 /nfs/dbraw/zinc/97/36/56/1101973656.db2.gz HGESBJRIGQRRSB-UHFFFAOYSA-N -1 0 369.471 4.099 20 30 FIEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000440267049 1102157303 /nfs/dbraw/zinc/15/73/03/1102157303.db2.gz FKCFBXWKUDOLKF-UHFFFAOYSA-N -1 0 356.834 4.474 20 30 FIEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1csc(-c2cccs2)n1 ZINC000122199569 1102544245 /nfs/dbraw/zinc/54/42/45/1102544245.db2.gz ROQGYDVRQUIORA-LLVKDONJSA-N -1 0 364.455 4.248 20 30 FIEDRM COC(=O)c1cc(C)cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000459343583 1102867012 /nfs/dbraw/zinc/86/70/12/1102867012.db2.gz GHRWFHWGKMYWMH-AWEZNQCLSA-N -1 0 356.447 4.026 20 30 FIEDRM Cc1noc2nc(C(C)C)cc(C([O-])=C(C#N)c3nc4ccccc4n3C)c12 ZINC000102115663 1102872356 /nfs/dbraw/zinc/87/23/56/1102872356.db2.gz GPOHJCBRFYUUGG-AWEZNQCLSA-N -1 0 373.416 4.031 20 30 FIEDRM N#Cc1cnnc(-c2ccccc2)c1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211962562 1102978146 /nfs/dbraw/zinc/97/81/46/1102978146.db2.gz HWNQMPDRTNLSJJ-UHFFFAOYSA-N -1 0 350.765 4.110 20 30 FIEDRM CCS[C@H](C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1)C(C)C ZINC000067599765 1102992153 /nfs/dbraw/zinc/99/21/53/1102992153.db2.gz MPNDYSZSCYEYTR-INIZCTEOSA-N -1 0 351.493 4.263 20 30 FIEDRM N#Cc1c(F)cccc1C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000427550191 1103887562 /nfs/dbraw/zinc/88/75/62/1103887562.db2.gz PDMLZAAMLQIJNP-UHFFFAOYSA-N -1 0 369.577 4.071 20 30 FIEDRM CSc1ccccc1S(=O)(=O)[N-]c1ccccc1SCCC#N ZINC000188433770 1104355630 /nfs/dbraw/zinc/35/56/30/1104355630.db2.gz GLUATEBRPYMLQB-UHFFFAOYSA-N -1 0 364.517 4.215 20 30 FIEDRM CC(C)(C)OC(=O)C1CCC(NC(=O)c2cc(F)c([O-])c(Cl)c2)CC1 ZINC000331242407 1104711870 /nfs/dbraw/zinc/71/18/70/1104711870.db2.gz PIKZJKLLCQXQAS-UHFFFAOYSA-N -1 0 371.836 4.390 20 30 FIEDRM C=CCCCS(=O)(=O)[N-]c1nc(C)c(Cc2c(F)cccc2F)s1 ZINC000427755970 1105272737 /nfs/dbraw/zinc/27/27/37/1105272737.db2.gz VZKCNDPASZOMOD-UHFFFAOYSA-N -1 0 372.462 4.028 20 30 FIEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000507941625 1105278763 /nfs/dbraw/zinc/27/87/63/1105278763.db2.gz YXCFGYUEHHWJAL-UHFFFAOYSA-N -1 0 371.849 4.207 20 30 FIEDRM CCN(CC)c1ccc(/C=C(\C(=O)C(=O)[O-])c2ccc3ccccc3n2)cc1 ZINC000007587074 1107580469 /nfs/dbraw/zinc/58/04/69/1107580469.db2.gz WQRWIZDIMPGFNB-CYVLTUHYSA-N -1 0 374.440 4.275 20 30 FIEDRM CCCOc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)c(OC)c1 ZINC000453615762 1108662125 /nfs/dbraw/zinc/66/21/25/1108662125.db2.gz GDQGGVTVHJNTCS-OAHLLOKOSA-N -1 0 350.374 4.115 20 30 FIEDRM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000447539906 1109572339 /nfs/dbraw/zinc/57/23/39/1109572339.db2.gz IFHFMVVMXQKTGV-UHFFFAOYSA-N -1 0 370.368 4.429 20 30 FIEDRM Cn1ncc(C([O-])=C(C#N)c2nccc3ccccc32)c1Cc1ccccc1 ZINC000447632386 1109603914 /nfs/dbraw/zinc/60/39/14/1109603914.db2.gz IYFUIWUCFOSKIY-IBGZPJMESA-N -1 0 366.424 4.049 20 30 FIEDRM CN(Cc1ccccc1NC(=O)c1ccc(C#N)c([O-])c1)c1ccccc1 ZINC000447704952 1109625737 /nfs/dbraw/zinc/62/57/37/1109625737.db2.gz USSNPAPPWYCNDK-UHFFFAOYSA-N -1 0 357.413 4.153 20 30 FIEDRM Cc1nc(-c2cccs2)sc1C(=O)[C@H](C#N)C(=O)Nc1ccccc1 ZINC000127995004 1111120573 /nfs/dbraw/zinc/12/05/73/1111120573.db2.gz BZWMBQPRNNRROV-ZDUSSCGKSA-N -1 0 367.455 4.141 20 30 FIEDRM CCOc1ncccc1C([O-])=C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000538768049 1111292125 /nfs/dbraw/zinc/29/21/25/1111292125.db2.gz OPHVFJDJJGVRDI-MRXNPFEDSA-N -1 0 363.442 4.402 20 30 FIEDRM N#CC(=C([O-])c1ccn(Cc2ccccc2)n1)c1nc2ccccc2s1 ZINC000477834788 1111577533 /nfs/dbraw/zinc/57/75/33/1111577533.db2.gz DGIPFYXLXTYMKI-HNNXBMFYSA-N -1 0 358.426 4.031 20 30 FIEDRM Cc1nc(-c2cccs2)sc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000041562625 1111669025 /nfs/dbraw/zinc/66/90/25/1111669025.db2.gz KFVGFIGFSJMRJV-LBPRGKRZSA-N -1 0 354.460 4.077 20 30 FIEDRM Cn1nc2ccccc2c1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000478099787 1111684311 /nfs/dbraw/zinc/68/43/11/1111684311.db2.gz FBEVMLNCYZSBKF-LBPRGKRZSA-N -1 0 366.833 4.326 20 30 FIEDRM COc1cccc(N=c2[n-]nc(SCc3ccc(C#N)c(F)c3)s2)c1 ZINC000478548589 1111807113 /nfs/dbraw/zinc/80/71/13/1111807113.db2.gz AOXSXIHHHMCWSW-UHFFFAOYSA-N -1 0 372.450 4.015 20 30 FIEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000480651104 1112529889 /nfs/dbraw/zinc/52/98/89/1112529889.db2.gz IKQSYCQSHIZQSM-UHFFFAOYSA-N -1 0 370.931 4.193 20 30 FIEDRM CCCOc1nc(C)ccc1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000482570177 1113300233 /nfs/dbraw/zinc/30/02/33/1113300233.db2.gz TZLIEPZSEBKFED-AWEZNQCLSA-N -1 0 351.431 4.279 20 30 FIEDRM N#CC(=C([O-])c1cnc(-c2ccncc2)s1)c1nccc2ccccc21 ZINC000483197733 1113461952 /nfs/dbraw/zinc/46/19/52/1113461952.db2.gz PSVIQINSRFNREB-MRXNPFEDSA-N -1 0 356.410 4.243 20 30 FIEDRM N#CC(=C([O-])c1coc(-c2ccccc2Cl)n1)c1cnc2ccccc2n1 ZINC000483189261 1113463434 /nfs/dbraw/zinc/46/34/34/1113463434.db2.gz BTHQEAZYVHCAOI-ZDUSSCGKSA-N -1 0 374.787 4.428 20 30 FIEDRM N#CC(=C([O-])c1csc(Nc2ccccn2)n1)c1nccc2ccccc21 ZINC000483235444 1113468228 /nfs/dbraw/zinc/46/82/28/1113468228.db2.gz LYSJHYDPMUHOTD-OAHLLOKOSA-N -1 0 371.425 4.320 20 30 FIEDRM Cn1c2ccccc2c(Cl)c1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000483234600 1113468579 /nfs/dbraw/zinc/46/85/79/1113468579.db2.gz KKOBAGQXUGZXOC-ZDUSSCGKSA-N -1 0 360.804 4.265 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)sc2nccc(C)c12 ZINC000489913145 1114191876 /nfs/dbraw/zinc/19/18/76/1114191876.db2.gz QGGTUWQUUJVFJG-CYBMUJFWSA-N -1 0 360.442 4.290 20 30 FIEDRM N#Cc1cc(O)cc(C(=O)N[C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000587110513 1114414008 /nfs/dbraw/zinc/41/40/08/1114414008.db2.gz GWOLSZJKXUYSOX-MSOLQXFVSA-N -1 0 374.362 4.349 20 30 FIEDRM CCCc1ccc(S(=O)(=O)[N-]C(=O)Cc2c[nH]c3ccccc23)cc1 ZINC000045098546 1114560447 /nfs/dbraw/zinc/56/04/47/1114560447.db2.gz IGCBBMARNNCTBU-UHFFFAOYSA-N -1 0 356.447 4.008 20 30 FIEDRM CC(C)(C)c1nc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cs1 ZINC000588348473 1114575997 /nfs/dbraw/zinc/57/59/97/1114575997.db2.gz OBQPSURKLVGAGO-JTQLQIEISA-N -1 0 353.369 4.344 20 30 FIEDRM Cc1cc2c[nH]nc2c(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)c1 ZINC000588348997 1114576163 /nfs/dbraw/zinc/57/61/63/1114576163.db2.gz NAWWBTYCQZMUAM-MRXNPFEDSA-N -1 0 358.426 4.485 20 30 FIEDRM CCCCS[C@H](C)C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000058042789 1115077119 /nfs/dbraw/zinc/07/71/19/1115077119.db2.gz KJUYOHATTXSDKH-CYBMUJFWSA-N -1 0 353.509 4.182 20 30 FIEDRM C[C@H]1c2c(C#N)c(NC(=O)CC3(CC(=O)[O-])CCC3)sc2CC[C@@H]1C ZINC000591531368 1115098157 /nfs/dbraw/zinc/09/81/57/1115098157.db2.gz VLPLOXMXPMOFJH-NWDGAFQWSA-N -1 0 360.479 4.279 20 30 FIEDRM C[C@@H]1CCc2sc(NC(=O)CC3(CC(=O)[O-])CCC3)c(C#N)c2[C@H]1C ZINC000591531367 1115098391 /nfs/dbraw/zinc/09/83/91/1115098391.db2.gz VLPLOXMXPMOFJH-NEPJUHHUSA-N -1 0 360.479 4.279 20 30 FIEDRM N#CC(=C([O-])c1cnn(-c2ccccc2)c1)c1nc2cc(F)ccc2s1 ZINC000592974731 1115272723 /nfs/dbraw/zinc/27/27/23/1115272723.db2.gz YFFGYEMTUUYGHH-HNNXBMFYSA-N -1 0 362.389 4.111 20 30 FIEDRM COc1cc(/C=C/C(=O)c2ccc(C(F)(F)F)cc2)cc([N+](=O)[O-])c1[O-] ZINC000059270312 1115481866 /nfs/dbraw/zinc/48/18/66/1115481866.db2.gz UESQPXHAFHQLKA-FARCUNLSSA-N -1 0 367.279 4.224 20 30 FIEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)CCCC2CCCCC2)cc1 ZINC000046927246 1115548826 /nfs/dbraw/zinc/54/88/26/1115548826.db2.gz UEFFJORQXGQDQQ-UHFFFAOYSA-N -1 0 366.483 4.041 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000046927410 1115549034 /nfs/dbraw/zinc/54/90/34/1115549034.db2.gz KUEOONWYRHHSGH-UHFFFAOYSA-N -1 0 358.246 4.190 20 30 FIEDRM O=S(=O)([N-]c1cc(F)c(F)c(F)c1)c1cc(C(F)(F)F)ccc1F ZINC000607331667 1116019519 /nfs/dbraw/zinc/01/95/19/1116019519.db2.gz TYZYAXKLQOHLTN-UHFFFAOYSA-N -1 0 373.249 4.063 20 30 FIEDRM CCC(=O)c1ccc([O-])c(NC(=O)C(C)(C)Cc2ccc(C#N)cc2)c1 ZINC000456067645 1116153936 /nfs/dbraw/zinc/15/39/36/1116153936.db2.gz PKUBHKIJLUSGTL-UHFFFAOYSA-N -1 0 350.418 4.064 20 30 FIEDRM CCc1c(C([O-])=C(C#N)c2nc3ccccc3s2)cnn1CC(C)C ZINC000535218649 1116284651 /nfs/dbraw/zinc/28/46/51/1116284651.db2.gz GCOKKCBCULEJKA-CYBMUJFWSA-N -1 0 352.463 4.201 20 30 FIEDRM N#CC(=C([O-])c1cnc(-c2ccccn2)s1)c1nc2ccccc2s1 ZINC000535384869 1116301624 /nfs/dbraw/zinc/30/16/24/1116301624.db2.gz CKWAVTCCFNSPRC-NSHDSACASA-N -1 0 362.439 4.305 20 30 FIEDRM CCc1cc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)n[nH]1 ZINC000122290313 1116355171 /nfs/dbraw/zinc/35/51/71/1116355171.db2.gz IAOYDEUTDJJOOF-CYBMUJFWSA-N -1 0 356.838 4.239 20 30 FIEDRM Cc1ccc(OCc2ccccc2)c(NC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000443165012 1116361888 /nfs/dbraw/zinc/36/18/88/1116361888.db2.gz FMGIINPSGYCEFG-UHFFFAOYSA-N -1 0 358.397 4.404 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)sc2nccn12 ZINC000505429266 1117771701 /nfs/dbraw/zinc/77/17/01/1117771701.db2.gz RCEJQULLGHGVLA-SNVBAGLBSA-N -1 0 372.862 4.457 20 30 FIEDRM O=C(CC(F)(F)F)[N-][C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000540547765 1118120671 /nfs/dbraw/zinc/12/06/71/1118120671.db2.gz BMPJUKOOGPVSPF-SECBINFHSA-N -1 0 353.184 4.377 20 30 FIEDRM CCc1nc2ccc(Cl)cn2c1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000464182426 1118474940 /nfs/dbraw/zinc/47/49/40/1118474940.db2.gz IEYFYZKOPBPLNV-GFCCVEGCSA-N -1 0 364.792 4.181 20 30 FIEDRM N#CC(=C([O-])c1coc(-c2ccccc2)n1)c1cc(C(F)(F)F)ccn1 ZINC000464410893 1118547402 /nfs/dbraw/zinc/54/74/02/1118547402.db2.gz XTGVTNXLGKGOKD-ZDUSSCGKSA-N -1 0 357.291 4.245 20 30 FIEDRM CCC(CC)n1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)n1 ZINC000464475332 1118575772 /nfs/dbraw/zinc/57/57/72/1118575772.db2.gz UVSCRSNJDDDXCG-ZDUSSCGKSA-N -1 0 350.344 4.148 20 30 FIEDRM CC(C)(C)c1nc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cs1 ZINC000464461852 1118577662 /nfs/dbraw/zinc/57/76/62/1118577662.db2.gz BQZUVJRCQWVECQ-JTQLQIEISA-N -1 0 353.369 4.344 20 30 FIEDRM CCOc1c(Cl)cc([N-]S(=O)(=O)c2ccccc2C#N)cc1Cl ZINC000464536832 1118599083 /nfs/dbraw/zinc/59/90/83/1118599083.db2.gz IRQJHCNKASFWGU-UHFFFAOYSA-N -1 0 371.245 4.065 20 30 FIEDRM N#CC(=C([O-])c1cncc(F)c1)c1nc(-c2c(F)cccc2F)cs1 ZINC000151879230 1118997050 /nfs/dbraw/zinc/99/70/50/1118997050.db2.gz PXDIGSXJCNKSTA-NSHDSACASA-N -1 0 359.332 4.112 20 30 FIEDRM COc1cc(/C=C\c2nc3ccc(C(=O)[O-])cc3s2)ccc1OCC#N ZINC000761486446 1119256820 /nfs/dbraw/zinc/25/68/20/1119256820.db2.gz OFTRCIPZGXEFDA-CLTKARDFSA-N -1 0 366.398 4.076 20 30 FIEDRM N#CC(=C([O-])c1ccn(C2CCCC2)n1)c1nc2ccccc2n1C(F)F ZINC000177694124 1119346847 /nfs/dbraw/zinc/34/68/47/1119346847.db2.gz MQQOVEASPQFASY-ZDUSSCGKSA-N -1 0 369.375 4.233 20 30 FIEDRM Cc1nc(-c2ccccc2)ncc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000178108556 1119371800 /nfs/dbraw/zinc/37/18/00/1119371800.db2.gz YXMRKRLHGTZABR-HNNXBMFYSA-N -1 0 354.369 4.083 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cnc(Cc3ccccc3F)s2)n1 ZINC000186985629 1119759565 /nfs/dbraw/zinc/75/95/65/1119759565.db2.gz FQSWVPZXSISYGE-GFCCVEGCSA-N -1 0 357.435 4.128 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cnc(Cc3ccccc3F)s2)n1 ZINC000186985608 1119759602 /nfs/dbraw/zinc/75/96/02/1119759602.db2.gz FQSWVPZXSISYGE-LBPRGKRZSA-N -1 0 357.435 4.128 20 30 FIEDRM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccccc1S[C@H](C)CC#N ZINC000186989726 1119760593 /nfs/dbraw/zinc/76/05/93/1119760593.db2.gz WAUGEJRYEJPKEQ-CYBMUJFWSA-N -1 0 364.467 4.329 20 30 FIEDRM N#CC(=C([O-])c1cc(=O)[nH]c(C2CC2)c1)c1nc2cc(Cl)ccc2s1 ZINC000187483811 1119786063 /nfs/dbraw/zinc/78/60/63/1119786063.db2.gz YQYFFIDLYXESAX-GFCCVEGCSA-N -1 0 369.833 4.005 20 30 FIEDRM CCCCn1cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c(C)n1 ZINC000187492882 1119786177 /nfs/dbraw/zinc/78/61/77/1119786177.db2.gz SBJRCFZFSPWTEC-HNNXBMFYSA-N -1 0 365.462 4.000 20 30 FIEDRM CCCc1noc2nc(C3CC3)cc(C([O-])=C(C#N)c3nc(C)cs3)c12 ZINC000194678248 1120292554 /nfs/dbraw/zinc/29/25/54/1120292554.db2.gz YPOZZCZUCDKVBQ-CYBMUJFWSA-N -1 0 366.446 4.308 20 30 FIEDRM N#CC(=C([O-])c1csc(C2CC2)n1)c1nc2ccccc2n1C(F)F ZINC000194990449 1120330150 /nfs/dbraw/zinc/33/01/50/1120330150.db2.gz UQTCETSUCXZSMH-JTQLQIEISA-N -1 0 358.373 4.255 20 30 FIEDRM CC(=O)Nc1cccc([C@@H](C)/N=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000914556641 1120360975 /nfs/dbraw/zinc/36/09/75/1120360975.db2.gz DHNCGGOJLICPEG-DWOMLUCJSA-N -1 0 361.785 4.092 20 30 FIEDRM O=C([O-])c1cc(NN=Cc2csc(Br)c2)ccc1Cl ZINC000914554491 1120367597 /nfs/dbraw/zinc/36/75/97/1120367597.db2.gz MCNBAPKURFOERY-UHFFFAOYSA-N -1 0 359.632 4.308 20 30 FIEDRM O=C([O-])c1ccc(C(=O)/C=C\c2cc(Cl)c3c(c2)OCCCO3)s1 ZINC000213235004 1120487303 /nfs/dbraw/zinc/48/73/03/1120487303.db2.gz JNTQMSIBGFKEBC-IHWYPQMZSA-N -1 0 364.806 4.157 20 30 FIEDRM CCc1sc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cc1Br ZINC000495220525 1120548559 /nfs/dbraw/zinc/54/85/59/1120548559.db2.gz LVIQUKDWYCSPMF-SECBINFHSA-N -1 0 374.263 4.439 20 30 FIEDRM N#CC(=C([O-])c1cnc(C(F)(F)F)c(C#N)c1)c1nc2ccccc2s1 ZINC000495285009 1120631004 /nfs/dbraw/zinc/63/10/04/1120631004.db2.gz GXWVHTKETHVPMV-NSHDSACASA-N -1 0 372.331 4.072 20 30 FIEDRM COc1ccc2nc(C)c(C([O-])=C(C#N)c3nc4ccccc4o3)cc2c1 ZINC000915102955 1120811356 /nfs/dbraw/zinc/81/13/56/1120811356.db2.gz LUZZTEVQJHVPAV-MRXNPFEDSA-N -1 0 357.369 4.183 20 30 FIEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\CC2(c3ccccc3)CCOCC2)c1[O-] ZINC000915113324 1120820879 /nfs/dbraw/zinc/82/08/79/1120820879.db2.gz USJSSMNVLCHWDH-MTJSOVHGSA-N -1 0 374.824 4.121 20 30 FIEDRM COc1ccccc1CCC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000193599620 1120977854 /nfs/dbraw/zinc/97/78/54/1120977854.db2.gz VXVGPDLWJODFGQ-QGZVFWFLSA-N -1 0 360.413 4.009 20 30 FIEDRM CC(=Cc1ccc(Oc2cccnc2)c(C)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000193609641 1120981794 /nfs/dbraw/zinc/98/17/94/1120981794.db2.gz XCQZIUHKSZWRLN-UVTDQMKNSA-N -1 0 358.401 4.006 20 30 FIEDRM COc1ccccc1-c1ccc(C=C(C)c2nc(C)c(C#N)c(=O)[n-]2)cc1 ZINC000193611019 1120981866 /nfs/dbraw/zinc/98/18/66/1120981866.db2.gz YCHPREOKFWEHGY-WYMLVPIESA-N -1 0 357.413 4.186 20 30 FIEDRM CC(=Cc1ccc(Cl)c(C(F)(F)F)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000193610228 1120981887 /nfs/dbraw/zinc/98/18/87/1120981887.db2.gz JALMXMKZCGMCNI-YVMONPNESA-N -1 0 353.731 4.183 20 30 FIEDRM CC(=Cc1ccc(-c2nc3ccccc3s2)o1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000193614878 1120985881 /nfs/dbraw/zinc/98/58/81/1120985881.db2.gz DSGQQNKLMVZNEE-PKNBQFBNSA-N -1 0 374.425 4.380 20 30 FIEDRM CO[C@@H](C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1Cl ZINC000763098787 1121115227 /nfs/dbraw/zinc/11/52/27/1121115227.db2.gz ZJELDIQFEXGWFP-UZSVJVCZSA-N -1 0 369.204 4.414 20 30 FIEDRM CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1Br ZINC000763105259 1121118158 /nfs/dbraw/zinc/11/81/58/1121118158.db2.gz OSZLIWQYPXNJQM-UHFFFAOYSA-N -1 0 351.175 4.123 20 30 FIEDRM Cc1cc(C)c2c(c1)C(=O)/C(=C\c1ccc(OCCC(=O)[O-])cc1)CCO2 ZINC000763115882 1121134283 /nfs/dbraw/zinc/13/42/83/1121134283.db2.gz FXROBQUSBGZYBL-LGMDPLHJSA-N -1 0 366.413 4.206 20 30 FIEDRM Cc1cc([O-])cc2c1C(=O)C(=NN=C1c3ccccc3-c3ccccc31)O2 ZINC000915957448 1121353716 /nfs/dbraw/zinc/35/37/16/1121353716.db2.gz ZALFHYXEUGUCPY-UHFFFAOYSA-N -1 0 354.365 4.107 20 30 FIEDRM O=C([O-])c1ccc(NN=Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1 ZINC000915934068 1121353941 /nfs/dbraw/zinc/35/39/41/1121353941.db2.gz URKMCKPWFHAQPM-UHFFFAOYSA-N -1 0 374.322 4.035 20 30 FIEDRM CC(=NNC(=S)Nc1ccc(C(C)C)cc1)c1ccc(CC(=O)[O-])cc1 ZINC000915942596 1121355944 /nfs/dbraw/zinc/35/59/44/1121355944.db2.gz WREJGYNNNYZLQC-UHFFFAOYSA-N -1 0 369.490 4.148 20 30 FIEDRM O=C1CCCN1c1cccc(C/N=C/c2cc(Cl)cc(Cl)c2[O-])c1 ZINC000915979509 1121360047 /nfs/dbraw/zinc/36/00/47/1121360047.db2.gz HOTFAWMHBUPLOB-SRZZPIQSSA-N -1 0 363.244 4.445 20 30 FIEDRM CCOc1c(Cl)cc(/C=C\C(=O)c2ccc(CC(=O)[O-])cc2)cc1OC ZINC000915987979 1121367947 /nfs/dbraw/zinc/36/79/47/1121367947.db2.gz OKKKPKCSEQUQLK-TWGQIWQCSA-N -1 0 374.820 4.271 20 30 FIEDRM O=C([O-])c1cc(NN=Cc2cc(Br)ccc2F)ccc1Cl ZINC000916259503 1121453764 /nfs/dbraw/zinc/45/37/64/1121453764.db2.gz LEZJOWKOZDBYOU-UHFFFAOYSA-N -1 0 371.593 4.386 20 30 FIEDRM CCCCn1nc(C)c(C=NNc2ccc(Cl)c(C(=O)[O-])c2)c1Cl ZINC000916259823 1121454458 /nfs/dbraw/zinc/45/44/58/1121454458.db2.gz RFBCJLCWGKORKC-UHFFFAOYSA-N -1 0 369.252 4.443 20 30 FIEDRM COc1cc(/C=C/C(=O)c2cc(C)c(F)c(C)c2)ccc1OCCC(=O)[O-] ZINC000763373093 1121503374 /nfs/dbraw/zinc/50/33/74/1121503374.db2.gz IHSLOBZELPRYTF-GQCTYLIASA-N -1 0 372.392 4.201 20 30 FIEDRM N#CC(=C([O-])C=Cc1cnc2ccccc2n1)c1nc2ccccc2s1 ZINC000916846258 1121886435 /nfs/dbraw/zinc/88/64/35/1121886435.db2.gz NTKMBXNVGITOQZ-CFYYFVFUSA-N -1 0 356.410 4.129 20 30 FIEDRM N#CC(=C([O-])C=Cc1cnc2ccccc2n1)c1nc2ccccc2s1 ZINC000916846260 1121886520 /nfs/dbraw/zinc/88/65/20/1121886520.db2.gz NTKMBXNVGITOQZ-HBWSCVEGSA-N -1 0 356.410 4.129 20 30 FIEDRM Cc1oc(-c2cccs2)nc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000916844740 1121887046 /nfs/dbraw/zinc/88/70/46/1121887046.db2.gz AIBSCFGZQMPYOA-LBPRGKRZSA-N -1 0 362.414 4.088 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1oc2ccccc2c1CSC ZINC000916875632 1121906322 /nfs/dbraw/zinc/90/63/22/1121906322.db2.gz FSDMJSRHHXFDKZ-OAHLLOKOSA-N -1 0 372.490 4.315 20 30 FIEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1cc2c(cccc2Cl)s1 ZINC000916886926 1121910014 /nfs/dbraw/zinc/91/00/14/1121910014.db2.gz LLJHGKHHOBYXCN-CQSZACIVSA-N -1 0 368.845 4.194 20 30 FIEDRM CSCc1c2ccccc2oc1C([O-])=C(C#N)C(=O)NC1CCCCC1 ZINC000916893259 1121912449 /nfs/dbraw/zinc/91/24/49/1121912449.db2.gz XEKWOHQGRJGLIR-HNNXBMFYSA-N -1 0 370.474 4.067 20 30 FIEDRM CC(C)NC(=O)C(C#N)=C([O-])c1sc2cccc(Cl)c2c1Cl ZINC000916951071 1121972809 /nfs/dbraw/zinc/97/28/09/1121972809.db2.gz DVIHQKXCTNTOLK-QMMMGPOBSA-N -1 0 355.246 4.055 20 30 FIEDRM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)cc1 ZINC000066814229 1122098770 /nfs/dbraw/zinc/09/87/70/1122098770.db2.gz VUWZNUVCZKVWBE-ZDUSSCGKSA-N -1 0 374.487 4.084 20 30 FIEDRM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000066814049 1122098826 /nfs/dbraw/zinc/09/88/26/1122098826.db2.gz ARUBBGLFUSPWQK-NSHDSACASA-N -1 0 368.430 4.160 20 30 FIEDRM O=C([O-])COc1cccc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)c1 ZINC000008322889 1122114175 /nfs/dbraw/zinc/11/41/75/1122114175.db2.gz KMWKZBHJDDVRHA-RMKNXTFCSA-N -1 0 350.292 4.065 20 30 FIEDRM COc1cc(Cl)cc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c1 ZINC000497360834 1122147650 /nfs/dbraw/zinc/14/76/50/1122147650.db2.gz DXPGYJYSEWNXMR-OAHLLOKOSA-N -1 0 369.833 4.357 20 30 FIEDRM COc1ccc(Cl)cc1/C=C\C(=O)c1ccc(OCCCC(=O)[O-])cc1 ZINC000917145863 1122203935 /nfs/dbraw/zinc/20/39/35/1122203935.db2.gz UVVCPRNJTSRRJV-POHAHGRESA-N -1 0 374.820 4.488 20 30 FIEDRM N#CC1(c2ccnc(NCc3cc(Cl)c4cccnc4c3O)c2)CC1 ZINC001168523074 1122228500 /nfs/dbraw/zinc/22/85/00/1122228500.db2.gz YWHKGXDPURNIIA-UHFFFAOYSA-N -1 0 350.809 4.156 20 30 FIEDRM Cc1nc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)c(C)o1 ZINC000497444678 1122229030 /nfs/dbraw/zinc/22/90/30/1122229030.db2.gz QNAATOBNCHHDBH-JTQLQIEISA-N -1 0 359.357 4.183 20 30 FIEDRM COc1cc(C=NN[C@H](C)c2ccc(C(C)C)cc2)cc([N+](=O)[O-])c1[O-] ZINC000917552063 1122358964 /nfs/dbraw/zinc/35/89/64/1122358964.db2.gz NNDIPKSBNYBDFV-CYBMUJFWSA-N -1 0 357.410 4.117 20 30 FIEDRM Cc1cc(C#N)ccc1C([O-])=C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000129594083 1122646136 /nfs/dbraw/zinc/64/61/36/1122646136.db2.gz FEGFCEZPBLOVDC-GOSISDBHSA-N -1 0 368.421 4.352 20 30 FIEDRM COc1ccc(CNc2cc(C(=O)[O-])c(C)cc2C)cc1OCCCC#N ZINC000556323463 1122809273 /nfs/dbraw/zinc/80/92/73/1122809273.db2.gz OZLNBUFFKNXWNK-UHFFFAOYSA-N -1 0 368.433 4.305 20 30 FIEDRM COc1cccc2cc(/C=C3\CCc4oc(C(=O)[O-])c(C)c4C3=O)oc21 ZINC000920066114 1123326181 /nfs/dbraw/zinc/32/61/81/1123326181.db2.gz QZYZAYAIOUKKAI-DHZHZOJOSA-N -1 0 352.342 4.254 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCOc1c(C)cccc1C ZINC000920105784 1123352175 /nfs/dbraw/zinc/35/21/75/1123352175.db2.gz LYPLBKWRTOQHOF-SFHVURJKSA-N -1 0 374.440 4.454 20 30 FIEDRM O=C(C/N=C/c1cc(Cl)cc(Cl)c1[O-])Nc1ccc(Cl)cc1 ZINC000920173256 1123402795 /nfs/dbraw/zinc/40/27/95/1123402795.db2.gz PLDMPLQGDCFFPR-FBCYGCLPSA-N -1 0 357.624 4.410 20 30 FIEDRM [O-]c1c(Cl)cc(Cl)cc1/C=N\Cc1ccc(N2CCOCC2)cc1 ZINC000920174501 1123403609 /nfs/dbraw/zinc/40/36/09/1123403609.db2.gz NSDQOHHBKKHZKD-MTJSOVHGSA-N -1 0 365.260 4.155 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cc([N+](=O)[O-])c1 ZINC000609321837 1123533512 /nfs/dbraw/zinc/53/35/12/1123533512.db2.gz NGINNQDKXINBDY-CYBMUJFWSA-N -1 0 355.350 4.142 20 30 FIEDRM CCOc1ccc([C@@H](C)/N=C\c2cc([N+](=O)[O-])ccc2[O-])cc1OCC ZINC000920945330 1123540080 /nfs/dbraw/zinc/54/00/80/1123540080.db2.gz VQSWKWBOKITPAO-UAAGNOOKSA-N -1 0 358.394 4.278 20 30 FIEDRM Cc1csc([C@@H](C#N)C(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)n1 ZINC000076764043 1123628716 /nfs/dbraw/zinc/62/87/16/1123628716.db2.gz KLMIVLPUCPCZGS-HNNXBMFYSA-N -1 0 355.463 4.235 20 30 FIEDRM COc1cc(C(=O)/C=C/c2cc(F)c([O-])c(F)c2)ccc1OC(F)F ZINC000175320928 1123820472 /nfs/dbraw/zinc/82/04/72/1123820472.db2.gz GRCHIASJWAPJSU-DUXPYHPUSA-N -1 0 356.271 4.177 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2oc3c(cccc3C)c2C)n1 ZINC000067897272 1123987311 /nfs/dbraw/zinc/98/73/11/1123987311.db2.gz VHQOEFINVQCYBC-ZDUSSCGKSA-N -1 0 368.414 4.173 20 30 FIEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000068338240 1124197237 /nfs/dbraw/zinc/19/72/37/1124197237.db2.gz FLROEWSZSSQBGN-OLZOCXBDSA-N -1 0 371.792 4.067 20 30 FIEDRM CC(C)Oc1cccc(CC(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000069282148 1124719370 /nfs/dbraw/zinc/71/93/70/1124719370.db2.gz MCPYWLZGKHBIBD-UHFFFAOYSA-N -1 0 367.854 4.015 20 30 FIEDRM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000063878692 1124960339 /nfs/dbraw/zinc/96/03/39/1124960339.db2.gz SLEQGNOMHXJUKN-UHFFFAOYSA-N -1 0 374.771 4.340 20 30 FIEDRM CC(C)(C)n1cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cn1 ZINC000076607241 1125006749 /nfs/dbraw/zinc/00/67/49/1125006749.db2.gz FNELHDFPGKLDPN-GFCCVEGCSA-N -1 0 358.854 4.391 20 30 FIEDRM O=C(CCc1cccs1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000069605164 1125018367 /nfs/dbraw/zinc/01/83/67/1125018367.db2.gz GEYIARQNQJSGNU-UHFFFAOYSA-N -1 0 364.275 4.333 20 30 FIEDRM CC(C)(C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000069622166 1125043973 /nfs/dbraw/zinc/04/39/73/1125043973.db2.gz GROVIPXBDHEXNP-UHFFFAOYSA-N -1 0 371.380 4.328 20 30 FIEDRM Cc1ccccc1CC(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000069641603 1125079189 /nfs/dbraw/zinc/07/91/89/1125079189.db2.gz FEIKSJSOVDAACW-UHFFFAOYSA-N -1 0 364.275 4.251 20 30 FIEDRM CCOc1cccnc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000093244945 1125288016 /nfs/dbraw/zinc/28/80/16/1125288016.db2.gz PIBKOSPCFPZGHB-NSHDSACASA-N -1 0 357.822 4.233 20 30 FIEDRM N#CC(=C([O-])c1cccc([N+](=O)[O-])c1)c1nc2cc(Cl)ccc2s1 ZINC000603846332 568157542 /nfs/dbraw/zinc/15/75/42/568157542.db2.gz PHNLFQJHVHNHDD-LBPRGKRZSA-N -1 0 357.778 4.348 20 30 FIEDRM N#CC(=C([O-])c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc2ccccc2n1 ZINC000603835663 568159208 /nfs/dbraw/zinc/15/92/08/568159208.db2.gz FWUNSSBAPYMZLJ-HNNXBMFYSA-N -1 0 357.325 4.379 20 30 FIEDRM N#CC(=C([O-])c1ccc(C#N)nc1)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000604690927 568346003 /nfs/dbraw/zinc/34/60/03/568346003.db2.gz PHRVMHQZWWFGIF-GFCCVEGCSA-N -1 0 372.331 4.072 20 30 FIEDRM Cc1ccccc1-n1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cn1 ZINC000112222440 1125543773 /nfs/dbraw/zinc/54/37/73/1125543773.db2.gz WETDOIHCNKVPRQ-OAHLLOKOSA-N -1 0 370.334 4.085 20 30 FIEDRM Cc1ccccc1SCC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000042300955 1079807295 /nfs/dbraw/zinc/80/72/95/1079807295.db2.gz TZSSGVFLKORPGT-UHFFFAOYSA-N -1 0 355.868 4.086 20 30 FIEDRM Cc1ccc(NC(=O)C(C)(C)C)cc1N=Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000254944816 1080069955 /nfs/dbraw/zinc/06/99/55/1080069955.db2.gz SAMAWMUEFLMYGZ-UHFFFAOYSA-N -1 0 355.394 4.344 20 30 FIEDRM CCSc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000179611586 1080211641 /nfs/dbraw/zinc/21/16/41/1080211641.db2.gz XRZCABXFMWMAFX-CYBMUJFWSA-N -1 0 367.386 4.338 20 30 FIEDRM C=CCCN(C)C(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1[O-] ZINC000471363524 1081017887 /nfs/dbraw/zinc/01/78/87/1081017887.db2.gz VWTZZKTTZGDACN-UHFFFAOYSA-N -1 0 374.655 4.186 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCc1cc(F)ccc1F ZINC000120975549 1081128102 /nfs/dbraw/zinc/12/81/02/1081128102.db2.gz FNLJZVVJMDDLRZ-MRXNPFEDSA-N -1 0 366.367 4.279 20 30 FIEDRM CCOc1ccc(CC(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)cc1 ZINC000121035743 1081225365 /nfs/dbraw/zinc/22/53/65/1081225365.db2.gz VYFFUEZVOXGYEX-GOSISDBHSA-N -1 0 360.413 4.009 20 30 FIEDRM O=C1/C(=C/c2cccc([N+](=O)[O-])c2)CC/C1=C\c1ccc([N+](=O)[O-])c([O-])c1 ZINC000748145900 1081569642 /nfs/dbraw/zinc/56/96/42/1081569642.db2.gz CXOFGTYLEBYFCH-VOMDNODZSA-N -1 0 366.329 4.039 20 30 FIEDRM O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1sccc1Br ZINC000748148578 1081609425 /nfs/dbraw/zinc/60/94/25/1081609425.db2.gz UXMSQEWQBVHMAN-RQOWECAXSA-N -1 0 354.181 4.021 20 30 FIEDRM O=C1c2c3cc(F)ccc3[nH]c2CC/C1=C\c1ccc([N+](=O)[O-])c([O-])c1 ZINC000748148351 1081611012 /nfs/dbraw/zinc/61/10/12/1081611012.db2.gz SUIPLGHXPIHHAO-YRNVUSSQSA-N -1 0 352.321 4.133 20 30 FIEDRM CCOC(=O)[C@@H]1CCCc2sc(Nc3ccccc3C(=O)[O-])c(C#N)c21 ZINC001210969113 1081889791 /nfs/dbraw/zinc/88/97/91/1081889791.db2.gz GVJLHUYVSWXARF-GFCCVEGCSA-N -1 0 370.430 4.045 20 30 FIEDRM O=C([N-]S(=O)(=O)c1cccc(Cl)c1)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000050204783 1081921308 /nfs/dbraw/zinc/92/13/08/1081921308.db2.gz IARMVOZEHHOFSW-CABCVRRESA-N -1 0 370.257 4.442 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)cc1C ZINC000050204685 1081921515 /nfs/dbraw/zinc/92/15/15/1081921515.db2.gz WWWXQRVIZUELKZ-SJORKVTESA-N -1 0 363.866 4.406 20 30 FIEDRM Cc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000430589328 1082534468 /nfs/dbraw/zinc/53/44/68/1082534468.db2.gz HULUSTVFLOIQTO-HNNXBMFYSA-N -1 0 364.474 4.425 20 30 FIEDRM CCc1c(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cnn1CC(C)C ZINC000430620365 1082727412 /nfs/dbraw/zinc/72/74/12/1082727412.db2.gz HOTZCWAFNSJZKH-ZDUSSCGKSA-N -1 0 358.511 4.346 20 30 FIEDRM CCn1c2ccccc2c2cc(C=CC([O-])=C3C(=O)C=C(C)OC3=O)ccc21 ZINC000255344355 1082764121 /nfs/dbraw/zinc/76/41/21/1082764121.db2.gz LFIQHMMZPFAVTC-DMGQTMSCSA-N -1 0 373.408 4.043 20 30 FIEDRM O=C(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)c1cc(Br)ccc1F ZINC000255345766 1082765148 /nfs/dbraw/zinc/76/51/48/1082765148.db2.gz SOYDGJVUWSMTKU-KTAJNNJTSA-N -1 0 366.142 4.098 20 30 FIEDRM C=C(C)COc1cccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c1 ZINC000471909668 1083302495 /nfs/dbraw/zinc/30/24/95/1083302495.db2.gz IMMMFXYGUINLHC-UHFFFAOYSA-N -1 0 360.410 4.063 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc(C3CC3)cs2)cnn1-c1ccc(C)cc1 ZINC000647375738 1083366777 /nfs/dbraw/zinc/36/67/77/1083366777.db2.gz DVRBBUHFNPORTC-INIZCTEOSA-N -1 0 362.458 4.313 20 30 FIEDRM CC[C@@H](OC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)c1ccc(F)c(C)c1 ZINC001267525564 1084165099 /nfs/dbraw/zinc/16/50/99/1084165099.db2.gz AQWGQCMDYNCSIH-LJQANCHMSA-N -1 0 370.424 4.350 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2c(Cl)n(C)nc2C(C)C)n1 ZINC000177774967 1084317716 /nfs/dbraw/zinc/31/77/16/1084317716.db2.gz NNIUDXQUZZYTTF-SNVBAGLBSA-N -1 0 350.875 4.267 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])COC(=O)C[C@@H](c2ccccc2)C(C)C)n1 ZINC000728638877 1084357291 /nfs/dbraw/zinc/35/72/91/1084357291.db2.gz NWFYWGMGKVWCRP-IAGOWNOFSA-N -1 0 370.474 4.001 20 30 FIEDRM CC(C)(C)c1cc(C#N)c(NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)s1 ZINC000414091559 1084513951 /nfs/dbraw/zinc/51/39/51/1084513951.db2.gz LQQYWVLGZFQUHC-FQEVSTJZSA-N -1 0 370.474 4.288 20 30 FIEDRM Cc1cc(Nc2c(C#N)cnn2-c2cccc(Cl)c2)cc(C(=O)[O-])c1 ZINC001211539344 1084581459 /nfs/dbraw/zinc/58/14/59/1084581459.db2.gz RKDOGMNIXFJWDM-UHFFFAOYSA-N -1 0 352.781 4.148 20 30 FIEDRM CCn1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)c1C1CC1 ZINC000892538858 1084609192 /nfs/dbraw/zinc/60/91/92/1084609192.db2.gz PHBMLFAFIRSFBJ-GFCCVEGCSA-N -1 0 369.375 4.015 20 30 FIEDRM N#CC(=C([O-])c1cccc2c[nH]nc21)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000066545260 1084638334 /nfs/dbraw/zinc/63/83/34/1084638334.db2.gz XCJXQPOBCJAPCR-MRXNPFEDSA-N -1 0 369.409 4.048 20 30 FIEDRM CCc1cc(C#N)c([N-]S(=O)(=O)c2c(Cl)cccc2Cl)s1 ZINC000582214616 1084673375 /nfs/dbraw/zinc/67/33/75/1084673375.db2.gz CBWLTLRHXVIURQ-UHFFFAOYSA-N -1 0 361.275 4.290 20 30 FIEDRM COc1ccc(-c2ncc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)s2)cc1 ZINC000173903502 1084708827 /nfs/dbraw/zinc/70/88/27/1084708827.db2.gz DRCTYYMHWULCPX-CQSZACIVSA-N -1 0 374.425 4.185 20 30 FIEDRM CCCc1ncc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)s1 ZINC000174103885 1084735191 /nfs/dbraw/zinc/73/51/91/1084735191.db2.gz NBZZKFYCIHIJAV-LBPRGKRZSA-N -1 0 354.460 4.104 20 30 FIEDRM N#CC(=C([O-])c1n[nH]c2c1CCCC2)c1nc2cc(Cl)ccc2s1 ZINC000120003988 1084790012 /nfs/dbraw/zinc/79/00/12/1084790012.db2.gz MHIWQFUWDNXBNP-LLVKDONJSA-N -1 0 356.838 4.042 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3cnc(C4CC4)o3)n2)cc1 ZINC000892606639 1085015813 /nfs/dbraw/zinc/01/58/13/1085015813.db2.gz JKGIXELSUYBQFP-CQSZACIVSA-N -1 0 365.414 4.174 20 30 FIEDRM N#CC(=C([O-])c1ccc(-c2nc(C3CC3)no2)cc1)c1nc2ccccc2o1 ZINC000176101389 1085071540 /nfs/dbraw/zinc/07/15/40/1085071540.db2.gz WHOGAJOMXWOWJV-OAHLLOKOSA-N -1 0 370.368 4.245 20 30 FIEDRM Cc1nc(C(C)C)oc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000582642576 1085315204 /nfs/dbraw/zinc/31/52/04/1085315204.db2.gz KOMCZHJUOAJGJL-NSHDSACASA-N -1 0 358.348 4.341 20 30 FIEDRM CCCn1nc(C)c(/C=C\C(=O)c2ccc(OCCCC(=O)[O-])cc2)c1C ZINC000255522489 1085404294 /nfs/dbraw/zinc/40/42/94/1085404294.db2.gz BBPDSFDDZXSOSD-QXMHVHEDSA-N -1 0 370.449 4.050 20 30 FIEDRM COc1ccc2nc(C([O-])=C(C#N)c3nc4ccccc4s3)ccc2c1 ZINC000093243448 1085496910 /nfs/dbraw/zinc/49/69/10/1085496910.db2.gz FIHZNDKRGLWSPX-AWEZNQCLSA-N -1 0 359.410 4.343 20 30 FIEDRM C=C[C@H](CC(=O)N=c1nc(-c2sccc2C)[n-]s1)c1ccccc1 ZINC000472258932 1085717685 /nfs/dbraw/zinc/71/76/85/1085717685.db2.gz PBJODFUHCMCAKD-CYBMUJFWSA-N -1 0 355.488 4.295 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1sc(-c2ccccc2)nc1C ZINC000125629996 1086025289 /nfs/dbraw/zinc/02/52/89/1086025289.db2.gz IELKUFWMQOVROE-INIZCTEOSA-N -1 0 369.490 4.138 20 30 FIEDRM O=S(=O)([N-]c1ccc(F)cc1C(F)(F)F)c1cc(F)c(F)c(F)c1 ZINC000150826920 1086397752 /nfs/dbraw/zinc/39/77/52/1086397752.db2.gz OUBNQMUAIAKIRB-UHFFFAOYSA-N -1 0 373.249 4.063 20 30 FIEDRM CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000236814730 1086667378 /nfs/dbraw/zinc/66/73/78/1086667378.db2.gz YDENZOQSUPYXCA-UHFFFAOYSA-N -1 0 352.390 4.180 20 30 FIEDRM Cc1cc(C)cc(OCCC(=O)[N-]S(=O)(=O)[C@@H](C)c2ccccc2)c1 ZINC000077881913 1086722837 /nfs/dbraw/zinc/72/28/37/1086722837.db2.gz DMDCHODMRMCJRH-INIZCTEOSA-N -1 0 361.463 4.120 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2csc(CCc3ccccc3)n2)n1 ZINC000107407934 1086798671 /nfs/dbraw/zinc/79/86/71/1086798671.db2.gz CBZMJLYHVYERCU-AWEZNQCLSA-N -1 0 353.472 4.183 20 30 FIEDRM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000176830826 1087291495 /nfs/dbraw/zinc/29/14/95/1087291495.db2.gz LPNBQOMVMAGRRE-UHFFFAOYSA-N -1 0 367.405 4.011 20 30 FIEDRM COc1ccc(OCc2nc(C=CC(=O)c3sccc3[O-])cs2)cc1 ZINC000588598808 1087358082 /nfs/dbraw/zinc/35/80/82/1087358082.db2.gz FJTNDBDGUFNFRZ-UQCOIBPSSA-N -1 0 373.455 4.394 20 30 FIEDRM CC1=CC(=O)C(=C([O-])C=Cc2c(Cl)cccc2SC(C)C)C(=O)O1 ZINC000588601225 1087375501 /nfs/dbraw/zinc/37/55/01/1087375501.db2.gz DOWUSHGCBMMSFL-ZPUOCTKUSA-N -1 0 364.850 4.069 20 30 FIEDRM CCCn1ncc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1C1CC1 ZINC000161900748 1087475224 /nfs/dbraw/zinc/47/52/24/1087475224.db2.gz ARWIIMGIAMXAHI-ZDUSSCGKSA-N -1 0 362.355 4.074 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc(C3CC3)cs2)cnn1-c1ccccc1F ZINC000647375304 1087794364 /nfs/dbraw/zinc/79/43/64/1087794364.db2.gz WPEIIEZFDQTYNW-CYBMUJFWSA-N -1 0 366.421 4.144 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc(C3CC3)cs2)cnn1-c1cccc(C)c1 ZINC000647376380 1087799390 /nfs/dbraw/zinc/79/93/90/1087799390.db2.gz ROUBXSCXGNBEAC-INIZCTEOSA-N -1 0 362.458 4.313 20 30 FIEDRM CCC(CC)(CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)C(=O)[O-] ZINC000424378238 1087963785 /nfs/dbraw/zinc/96/37/85/1087963785.db2.gz FXCSNXSCCWJPHO-ZDUSSCGKSA-N -1 0 363.483 4.093 20 30 FIEDRM COc1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c2ccccc2n1 ZINC000659115191 1088124332 /nfs/dbraw/zinc/12/43/32/1088124332.db2.gz QFSIZQJCKPUAJT-AWEZNQCLSA-N -1 0 365.458 4.487 20 30 FIEDRM CC(C)c1cc(Br)ccc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000189059417 1088411029 /nfs/dbraw/zinc/41/10/29/1088411029.db2.gz OEPHECJELVMKGU-UHFFFAOYSA-N -1 0 359.223 4.402 20 30 FIEDRM Cc1ccc(-c2nc(C([O-])=C(C#N)c3nc4ccccc4n3C)cs2)cc1 ZINC000122206364 1088473637 /nfs/dbraw/zinc/47/36/37/1088473637.db2.gz PGIVDDNUKHWUAA-HNNXBMFYSA-N -1 0 372.453 4.495 20 30 FIEDRM N#CC(=C([O-])c1c2c(nc3ccccc31)CCC2)c1nc2ccccc2o1 ZINC000505456462 1088901478 /nfs/dbraw/zinc/90/14/78/1088901478.db2.gz ANAQHWFWWVBVHU-OAHLLOKOSA-N -1 0 353.381 4.355 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cc(-c3ccccc3)nc3onc(C)c32)n1 ZINC000122319332 1088989431 /nfs/dbraw/zinc/98/94/31/1088989431.db2.gz JFUQIDPAOOOKIM-HNNXBMFYSA-N -1 0 374.425 4.453 20 30 FIEDRM CC(C)c1nc(/C=C\c2ccc(C#N)cc2C(F)(F)F)ncc1C(=O)[O-] ZINC000514639037 1089296512 /nfs/dbraw/zinc/29/65/12/1089296512.db2.gz SFFRWPWZXCDURN-WAYWQWQTSA-N -1 0 361.323 4.359 20 30 FIEDRM CC(=O)[C@H](C)CCCCC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000122483881 1089454685 /nfs/dbraw/zinc/45/46/85/1089454685.db2.gz OMGSNBAQUTWKFP-DYVFJYSZSA-N -1 0 352.434 4.153 20 30 FIEDRM CC(C)(C)c1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)nc1 ZINC000514787361 1089469071 /nfs/dbraw/zinc/46/90/71/1089469071.db2.gz HEROGVXFTOYGCI-HNNXBMFYSA-N -1 0 362.458 4.388 20 30 FIEDRM C=CCOc1ccc(CNc2ccc([C@@H](C)CC(=O)[O-])cc2)cc1OC ZINC000417609600 1090938285 /nfs/dbraw/zinc/93/82/85/1090938285.db2.gz LNYFRHXPGHJOEK-HNNXBMFYSA-N -1 0 355.434 4.450 20 30 FIEDRM Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C#N)c2)cc1C(F)(F)F ZINC000500311683 1091269464 /nfs/dbraw/zinc/26/94/64/1091269464.db2.gz CMHBVWYUQUODBR-UHFFFAOYSA-N -1 0 374.771 4.340 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 ZINC000046927394 1091273953 /nfs/dbraw/zinc/27/39/53/1091273953.db2.gz XLMLLIGLXCXFAH-UHFFFAOYSA-N -1 0 367.854 4.151 20 30 FIEDRM Cc1ccc(-c2cc(C([O-])=C(C#N)c3nc4ccccc4o3)n[nH]2)cc1C ZINC000187290144 1091867280 /nfs/dbraw/zinc/86/72/80/1091867280.db2.gz FRTLDJNUKCRNQK-HNNXBMFYSA-N -1 0 356.385 4.325 20 30 FIEDRM CCc1cccnc1C([O-])=C(C#N)c1nc(-c2ccc(OC)cc2)cs1 ZINC000500467083 1092102852 /nfs/dbraw/zinc/10/28/52/1092102852.db2.gz VBFOLZSIXPPBMB-INIZCTEOSA-N -1 0 363.442 4.266 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc3ccccc3s2)cnn1CCC(C)C ZINC000442085288 1092415782 /nfs/dbraw/zinc/41/57/82/1092415782.db2.gz SCAVMCKEOOEHPH-AWEZNQCLSA-N -1 0 352.463 4.337 20 30 FIEDRM Cc1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(C)C)sc1Cl ZINC000473402869 1092797968 /nfs/dbraw/zinc/79/79/68/1092797968.db2.gz SEKNMHQUZDFQHJ-UHFFFAOYSA-N -1 0 370.883 4.170 20 30 FIEDRM C=C[C@H](CC(=O)N[C@@H](CC(=O)[O-])c1ccc(SC)cc1)c1ccccc1 ZINC000191071693 1092983154 /nfs/dbraw/zinc/98/31/54/1092983154.db2.gz FSGBRBREKOBFQJ-BEFAXECRSA-N -1 0 369.486 4.400 20 30 FIEDRM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccccc1-c1ccno1 ZINC000443413765 1093115266 /nfs/dbraw/zinc/11/52/66/1093115266.db2.gz GUKQZNKJTWFQQN-UHFFFAOYSA-N -1 0 354.431 4.261 20 30 FIEDRM N#CCCC[C@H](NC(=O)N=c1ccc(-c2ccccc2)n[n-]1)c1ccccc1 ZINC000433038074 1093139556 /nfs/dbraw/zinc/13/95/56/1093139556.db2.gz HVMBYMCSGPBYSQ-IBGZPJMESA-N -1 0 371.444 4.122 20 30 FIEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)sc1Cl ZINC000473478346 1093301034 /nfs/dbraw/zinc/30/10/34/1093301034.db2.gz DUKMZFLWIDHUGM-UHFFFAOYSA-N -1 0 370.883 4.170 20 30 FIEDRM CCc1nc(C)c(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)s1 ZINC000512975243 1093621471 /nfs/dbraw/zinc/62/14/71/1093621471.db2.gz KCPRYGKQOTUVCY-GFCCVEGCSA-N -1 0 354.460 4.023 20 30 FIEDRM N#CC(=C([O-])c1coc(Br)c1)c1nc(-c2ccncc2)cs1 ZINC000114619928 1093659675 /nfs/dbraw/zinc/65/96/75/1093659675.db2.gz YVWDHWOCADBYON-NSHDSACASA-N -1 0 374.219 4.051 20 30 FIEDRM CSc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000114621095 1093659819 /nfs/dbraw/zinc/65/98/19/1093659819.db2.gz HTEFCOYOIHFACD-HNNXBMFYSA-N -1 0 351.456 4.417 20 30 FIEDRM Cc1cc(OC(F)F)c(C([O-])=C(C#N)c2nc3ccccc3n2C)s1 ZINC000513019038 1093666535 /nfs/dbraw/zinc/66/65/35/1093666535.db2.gz XUMXHTNSNIJXAA-JTQLQIEISA-N -1 0 361.373 4.035 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2cc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000474432784 1093777560 /nfs/dbraw/zinc/77/75/60/1093777560.db2.gz NRZYORACRSRAER-LBPRGKRZSA-N -1 0 355.375 4.411 20 30 FIEDRM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cn(C)c(C(C)C)n1 ZINC000414448555 1094861458 /nfs/dbraw/zinc/86/14/58/1094861458.db2.gz AXTUWSJZLDDSCD-UHFFFAOYSA-N -1 0 361.511 4.196 20 30 FIEDRM [O-]/C(Cc1cn2ccsc2n1)=N/[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000329505744 1094943421 /nfs/dbraw/zinc/94/34/21/1094943421.db2.gz LKBYFICBIWSTKJ-INIZCTEOSA-N -1 0 369.494 4.284 20 30 FIEDRM O=C(Nc1cc(Br)cc(Cl)c1[O-])[C@H]1CCCN1C1CC1 ZINC000330303296 1095476314 /nfs/dbraw/zinc/47/63/14/1095476314.db2.gz JUSYEINRUOQMPM-GFCCVEGCSA-N -1 0 359.651 4.023 20 30 FIEDRM CC1(C#N)CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2[O-])CC1 ZINC000272494702 1096187277 /nfs/dbraw/zinc/18/72/77/1096187277.db2.gz FNSXRFLCAGDYAO-UHFFFAOYSA-N -1 0 354.837 4.478 20 30 FIEDRM O=C1c2cc(F)ccc2OCC/C1=C/c1ccc(O)c(Br)c1 ZINC000205855692 1096398701 /nfs/dbraw/zinc/39/87/01/1096398701.db2.gz POEXLUGGFQEPQW-XFFZJAGNSA-N -1 0 363.182 4.343 20 30 FIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3ccn(C(C)C)n3)n2)cc1 ZINC000503508871 1096440507 /nfs/dbraw/zinc/44/05/07/1096440507.db2.gz WQOGIMMLWVLAQG-OAHLLOKOSA-N -1 0 350.447 4.386 20 30 FIEDRM CSc1ccc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000504060050 1096649872 /nfs/dbraw/zinc/64/98/72/1096649872.db2.gz RLXAFJSTQKIFKC-UHFFFAOYSA-N -1 0 352.868 4.043 20 30 FIEDRM C=CCc1cc(/C=C/c2nc3cc(C(=O)[O-])ccc3o2)cc(OC)c1O ZINC000436783889 1099315708 /nfs/dbraw/zinc/31/57/08/1099315708.db2.gz NYTQIPGFFVYUQT-VMPITWQZSA-N -1 0 351.358 4.139 20 30 FIEDRM COc1c(Br)ccc(Nc2ccc(O)c(F)c2F)c1C#N ZINC001212016154 1099382798 /nfs/dbraw/zinc/38/27/98/1099382798.db2.gz AIVDOFQERCWBME-UHFFFAOYSA-N -1 0 355.138 4.057 20 30 FIEDRM Cn1ncc(C([O-])=C(C#N)c2nc3ccccc3s2)c1-c1ccccc1 ZINC000537061948 1101417197 /nfs/dbraw/zinc/41/71/97/1101417197.db2.gz DCDNCOQCXXGJBC-AWEZNQCLSA-N -1 0 358.426 4.187 20 30 FIEDRM Cc1cc(C)cc(-c2n[n-]c(=NC(=O)c3ccc(C4(C#N)CC4)cc3)s2)c1 ZINC000537466954 1101971157 /nfs/dbraw/zinc/97/11/57/1101971157.db2.gz NZNUJLFETBHFRK-UHFFFAOYSA-N -1 0 374.469 4.051 20 30 FIEDRM C=C1CCN(C(=O)c2ccccc2SCc2occc2C(=O)[O-])CC1 ZINC000263266299 1102052193 /nfs/dbraw/zinc/05/21/93/1102052193.db2.gz LAHKDGAESNTPNU-UHFFFAOYSA-N -1 0 357.431 4.062 20 30 FIEDRM Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2cc(C#N)ccc2C)cs1 ZINC000475839488 1102214113 /nfs/dbraw/zinc/21/41/13/1102214113.db2.gz XWOOQRMCJITWFR-UHFFFAOYSA-N -1 0 369.471 4.099 20 30 FIEDRM CC(=Cc1cnc(-c2ccc(Cl)cc2)s1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000550975449 1102737879 /nfs/dbraw/zinc/73/78/79/1102737879.db2.gz CNMVBKDXKZWAFR-JXMROGBWSA-N -1 0 368.849 4.287 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cc(C)cc(C(=O)OC(C)(C)C)c2)n1 ZINC000459303402 1102757346 /nfs/dbraw/zinc/75/73/46/1102757346.db2.gz SPXIMATYTPGWFM-OAHLLOKOSA-N -1 0 356.447 4.205 20 30 FIEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/CCSCc2ccccc2)c1[O-] ZINC000026302279 1103036860 /nfs/dbraw/zinc/03/68/60/1103036860.db2.gz KZNNYFWRNDXXPK-VCHYOVAHSA-N -1 0 350.827 4.306 20 30 FIEDRM Cc1ncc(S(=O)(=O)[N-]c2ccccc2SC2CCCC2)cc1C#N ZINC000427113567 1103268789 /nfs/dbraw/zinc/26/87/89/1103268789.db2.gz KAPUBSZRZXJTIS-UHFFFAOYSA-N -1 0 373.503 4.097 20 30 FIEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000192728643 1103318311 /nfs/dbraw/zinc/31/83/11/1103318311.db2.gz YZEMUKNBBPMHEN-UHFFFAOYSA-N -1 0 360.744 4.031 20 30 FIEDRM C=C[C@@H](CC(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-])c1ccccc1 ZINC000190667109 1104985473 /nfs/dbraw/zinc/98/54/73/1104985473.db2.gz ZIFPFJSMSSPBPM-HKUYNNGSSA-N -1 0 351.446 4.096 20 30 FIEDRM CCSc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000520624624 1105059490 /nfs/dbraw/zinc/05/94/90/1105059490.db2.gz QOKZPDJYKWGWIO-UHFFFAOYSA-N -1 0 352.868 4.124 20 30 FIEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N/C[C@H](O)c2ccc3ccccc3c2)c1[O-] ZINC000067427826 1105062074 /nfs/dbraw/zinc/06/20/74/1105062074.db2.gz FNZGSKYNNMACSC-FWOHHPOZSA-N -1 0 370.792 4.260 20 30 FIEDRM C=CCCCS(=O)(=O)[N-]c1nc(-c2ccc(OCC)cc2)c(C)s1 ZINC000427753448 1105266443 /nfs/dbraw/zinc/26/64/43/1105266443.db2.gz AZULOZLLHZHURB-UHFFFAOYSA-N -1 0 366.508 4.225 20 30 FIEDRM N#Cc1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)nc2ccccc12 ZINC000508127417 1105334794 /nfs/dbraw/zinc/33/47/94/1105334794.db2.gz IPXRIAZVSBJVHJ-UHFFFAOYSA-N -1 0 359.410 4.060 20 30 FIEDRM N#Cc1cc(F)cc(NC(=O)c2cc(Cl)cc(Br)c2[O-])c1 ZINC001648972273 1107948598 /nfs/dbraw/zinc/94/85/98/1107948598.db2.gz JXYAKPMFPNDCNU-UHFFFAOYSA-N -1 0 369.577 4.071 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nn1[C@H](C)C1CC1 ZINC000531995436 1108525856 /nfs/dbraw/zinc/52/58/56/1108525856.db2.gz IBQDUFNNXJCHPM-RISCZKNCSA-N -1 0 362.355 4.066 20 30 FIEDRM Cc1oc(-c2ccccc2)nc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1 ZINC000524033075 1108764051 /nfs/dbraw/zinc/76/40/51/1108764051.db2.gz BQELZWONOFTUFR-HNNXBMFYSA-N -1 0 356.385 4.325 20 30 FIEDRM CC(C)(C)c1noc2ncc(C([O-])=C(C#N)c3nc4ccccc4o3)cc21 ZINC000524433701 1109009733 /nfs/dbraw/zinc/00/97/33/1109009733.db2.gz JVDIFAFJFPHHTD-CYBMUJFWSA-N -1 0 360.373 4.152 20 30 FIEDRM N#C[C@@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1c(Cl)cccc1Cl ZINC000446033161 1109089676 /nfs/dbraw/zinc/08/96/76/1109089676.db2.gz JRRZOPZOTPDJPP-GFCCVEGCSA-N -1 0 373.598 4.486 20 30 FIEDRM CC(C)c1ccc(-n2cc([O-])c(C(=O)Nc3ccc(CC#N)cc3)n2)cc1 ZINC000524987653 1109222114 /nfs/dbraw/zinc/22/21/14/1109222114.db2.gz UVGAXASDEILGSO-UHFFFAOYSA-N -1 0 360.417 4.020 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc(OCC(F)(F)F)cn2)n1 ZINC000447608743 1109601316 /nfs/dbraw/zinc/60/13/16/1109601316.db2.gz HBXGXVRTUAGKSC-NSHDSACASA-N -1 0 369.368 4.093 20 30 FIEDRM N#Cc1cccc(CN=c2[n-]nc(SCc3ccc(Cl)cc3)s2)c1 ZINC000447955711 1109686456 /nfs/dbraw/zinc/68/64/56/1109686456.db2.gz RADLWAQXRADHFF-UHFFFAOYSA-N -1 0 372.906 4.389 20 30 FIEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cc2c(ccc3ccccc23)o1 ZINC000528918502 1110151050 /nfs/dbraw/zinc/15/10/50/1110151050.db2.gz IXAALGUDCFCAHR-SFHVURJKSA-N -1 0 360.413 4.357 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3conc3C(C)C)n2)cc1 ZINC000528934360 1110156962 /nfs/dbraw/zinc/15/69/62/1110156962.db2.gz NVPSJHQQRQVPIZ-AWEZNQCLSA-N -1 0 367.430 4.420 20 30 FIEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1ccccc1-c1nc2ccccc2s1 ZINC000462080882 1111491371 /nfs/dbraw/zinc/49/13/71/1111491371.db2.gz XPTZFMNULIUPJI-GFCCVEGCSA-N -1 0 357.460 4.007 20 30 FIEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C)c1Cl ZINC000539399917 1111550374 /nfs/dbraw/zinc/55/03/74/1111550374.db2.gz KJZDPHUHSXHMDT-UHFFFAOYSA-N -1 0 363.870 4.143 20 30 FIEDRM C[C@@H](N=c1[n-]nc(-c2ccon2)s1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000553492537 1111984674 /nfs/dbraw/zinc/98/46/74/1111984674.db2.gz KHFKSTMDQCCIJC-CYBMUJFWSA-N -1 0 373.441 4.327 20 30 FIEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)N=c1[n-]nc(SCC)s1 ZINC000479732055 1112121339 /nfs/dbraw/zinc/12/13/39/1112121339.db2.gz XWHDXKPWOMXTIB-UHFFFAOYSA-N -1 0 374.944 4.007 20 30 FIEDRM Cc1ccsc1-c1nc(=NC(=O)c2ccc(C(C)(C)C#N)cc2)s[n-]1 ZINC000480937872 1112687227 /nfs/dbraw/zinc/68/72/27/1112687227.db2.gz PPJAFNKFTQMBNR-UHFFFAOYSA-N -1 0 368.487 4.050 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]C(=O)CC2CCCCC2)cc1C(F)(F)F ZINC000042315279 1113141631 /nfs/dbraw/zinc/14/16/31/1113141631.db2.gz WDVVPJDABPASDA-UHFFFAOYSA-N -1 0 374.384 4.193 20 30 FIEDRM CCc1ncsc1C([O-])=C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000160576022 1113410884 /nfs/dbraw/zinc/41/08/84/1113410884.db2.gz AVLJWAUJIUGVDU-CYBMUJFWSA-N -1 0 364.455 4.191 20 30 FIEDRM Cc1noc(-c2ccccc2C([O-])=C(C#N)c2nccc3ccccc32)n1 ZINC000483195710 1113461883 /nfs/dbraw/zinc/46/18/83/1113461883.db2.gz IRIFCYLIZFRWBF-GOSISDBHSA-N -1 0 354.369 4.083 20 30 FIEDRM N#CC(=C([O-])c1cc(-c2ccccc2Cl)on1)c1cnc2ccccc2n1 ZINC000483226524 1113465009 /nfs/dbraw/zinc/46/50/09/1113465009.db2.gz GQHGFIBCHNMVQU-CYBMUJFWSA-N -1 0 374.787 4.428 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nccc3ccccc32)nn1-c1ccc(F)cc1 ZINC000483216410 1113467253 /nfs/dbraw/zinc/46/72/53/1113467253.db2.gz ABSTYOQDNSOZFP-LJQANCHMSA-N -1 0 370.387 4.358 20 30 FIEDRM COc1cccc(N=c2[n-]nc(SCc3ccc(F)cc3C#N)s2)c1 ZINC000483270632 1113477082 /nfs/dbraw/zinc/47/70/82/1113477082.db2.gz OZAIIBTYWWXTQE-UHFFFAOYSA-N -1 0 372.450 4.015 20 30 FIEDRM COc1ccc(/C=C\c2nc(C(=O)[O-])c(C)s2)cc1OCCCC#N ZINC000486170810 1113520238 /nfs/dbraw/zinc/52/02/38/1113520238.db2.gz MOPYSKJUKXUJFT-VURMDHGXSA-N -1 0 358.419 4.011 20 30 FIEDRM C=CC(C)(C)CC(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1 ZINC000911330729 1113969687 /nfs/dbraw/zinc/96/96/87/1113969687.db2.gz SFLSHPLVAPKQSF-AWEZNQCLSA-N -1 0 356.422 4.065 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2csc([C@@H]3CCCO3)n2)s1 ZINC000571235956 1114449486 /nfs/dbraw/zinc/44/94/86/1114449486.db2.gz QMPQDDQOIWLTIC-PWSUYJOCSA-N -1 0 361.492 4.239 20 30 FIEDRM CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccc3ccccc3c2[O-])cs1 ZINC000156610296 1114466294 /nfs/dbraw/zinc/46/62/94/1114466294.db2.gz MBAIZPJNXZPTIF-PKNBQFBNSA-N -1 0 366.442 4.271 20 30 FIEDRM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000055548917 1114496201 /nfs/dbraw/zinc/49/62/01/1114496201.db2.gz JARBQTBLIFKWFB-UHFFFAOYSA-N -1 0 374.771 4.340 20 30 FIEDRM CCOCCOc1ccccc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000080454470 1114603224 /nfs/dbraw/zinc/60/32/24/1114603224.db2.gz TVAIGMJPQDDZQA-HNNXBMFYSA-N -1 0 358.463 4.172 20 30 FIEDRM CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cccc(C(C)(C)C)c2)n1 ZINC000572982969 1114941062 /nfs/dbraw/zinc/94/10/62/1114941062.db2.gz CRMHEUXWCZBTNW-AWEZNQCLSA-N -1 0 356.447 4.107 20 30 FIEDRM Cc1c(C#N)c(N2CCC(c3ccccc3C(=O)[O-])CC2)nc2ccccc12 ZINC000591327232 1115056669 /nfs/dbraw/zinc/05/66/69/1115056669.db2.gz YIFKHJOHOLIKBH-UHFFFAOYSA-N -1 0 371.440 4.497 20 30 FIEDRM Cc1oc(C(C)C)nc1C([O-])=C(C#N)c1nc(-c2ccncc2)cs1 ZINC000573390440 1115104553 /nfs/dbraw/zinc/10/45/53/1115104553.db2.gz BQHLZVYEOUHNOB-ZDUSSCGKSA-N -1 0 352.419 4.115 20 30 FIEDRM COc1cccc(S(=O)(=O)[N-]C(=O)CCc2ccc(C(C)C)cc2)c1 ZINC000058187027 1115127182 /nfs/dbraw/zinc/12/71/82/1115127182.db2.gz RHKOEKZQAHOYGE-UHFFFAOYSA-N -1 0 361.463 4.097 20 30 FIEDRM N#CC(=C([O-])c1cnc(C2CC2)s1)c1nc2ccccc2n1C(F)F ZINC000591862501 1115166033 /nfs/dbraw/zinc/16/60/33/1115166033.db2.gz RXRZIWXHVUPORL-SNVBAGLBSA-N -1 0 358.373 4.255 20 30 FIEDRM N#CC(=C([O-])c1cc2c(s1)CCOC2)c1nc2cc(F)ccc2s1 ZINC000592973413 1115272209 /nfs/dbraw/zinc/27/22/09/1115272209.db2.gz FUHHYWVCGGLKDZ-LLVKDONJSA-N -1 0 358.419 4.060 20 30 FIEDRM CCC(=O)Nc1cccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)c1 ZINC000592973388 1115272314 /nfs/dbraw/zinc/27/23/14/1115272314.db2.gz FHJDADRAMISDCV-CQSZACIVSA-N -1 0 367.405 4.274 20 30 FIEDRM N#CC(=C([O-])c1ccn(-c2ccccc2)n1)c1nc2cc(F)ccc2s1 ZINC000592974276 1115272777 /nfs/dbraw/zinc/27/27/77/1115272777.db2.gz RKXZHBDCLPFONZ-AWEZNQCLSA-N -1 0 362.389 4.111 20 30 FIEDRM CC(C)C[C@@H](C)n1nccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593276789 1115316353 /nfs/dbraw/zinc/31/63/53/1115316353.db2.gz JMJQPHFUAPDHMV-OAHLLOKOSA-N -1 0 374.510 4.092 20 30 FIEDRM CC(C)Oc1ccc(C(=O)[O-])cc1NCc1ccc(C2(C#N)CC2)cc1 ZINC000594691877 1115475668 /nfs/dbraw/zinc/47/56/68/1115475668.db2.gz YTUUJHVFNZODDB-UHFFFAOYSA-N -1 0 350.418 4.339 20 30 FIEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cc(C(F)(F)F)c(Cl)cc1SC ZINC000594702144 1115480745 /nfs/dbraw/zinc/48/07/45/1115480745.db2.gz QIZKJQQBRHKQLU-ZETCQYMHSA-N -1 0 372.821 4.125 20 30 FIEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cc(C(F)(F)F)c(Cl)cc1SC ZINC000594702143 1115480873 /nfs/dbraw/zinc/48/08/73/1115480873.db2.gz QIZKJQQBRHKQLU-SSDOTTSWSA-N -1 0 372.821 4.125 20 30 FIEDRM N#CCCC1CCN(C(=O)c2cc(Oc3ccccc3)ccc2O)CC1 ZINC000574991331 1115527689 /nfs/dbraw/zinc/52/76/89/1115527689.db2.gz VFSJHIXCBVXBGE-UHFFFAOYSA-N -1 0 350.418 4.340 20 30 FIEDRM CSc1ccc(Cl)c(C(=O)[N-]S(=O)(=O)c2ccccc2C)c1 ZINC000046927954 1115549156 /nfs/dbraw/zinc/54/91/56/1115549156.db2.gz IUWCYUZKSOXCFA-UHFFFAOYSA-N -1 0 355.868 4.064 20 30 FIEDRM O=C([O-])c1ccc(C(=O)/C=C\c2cc(F)ccc2Br)s1 ZINC000761197345 1115614780 /nfs/dbraw/zinc/61/47/80/1115614780.db2.gz CHAZEMIOGMJTLS-RJRFIUFISA-N -1 0 355.184 4.244 20 30 FIEDRM C[C@H](Oc1cccc(/C=C2\CCc3ccc(Cl)cc3C2=O)c1)C(=O)[O-] ZINC000761206759 1115625616 /nfs/dbraw/zinc/62/56/16/1115625616.db2.gz RPYFVXUNYFOIII-DGGAMASNSA-N -1 0 356.805 4.404 20 30 FIEDRM N#CC(=C([O-])c1cccnc1SC(F)(F)F)c1nc2ccccc2o1 ZINC000172022203 1115906126 /nfs/dbraw/zinc/90/61/26/1115906126.db2.gz RUQMUOXOJWMPJT-SNVBAGLBSA-N -1 0 363.320 4.325 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1cccc(-c2csc(C)n2)c1 ZINC000173942758 1116100875 /nfs/dbraw/zinc/10/08/75/1116100875.db2.gz YGXPYXGXWWXWJM-QGZVFWFLSA-N -1 0 369.490 4.138 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1sc(C2CCCC2)nc1C ZINC000173942786 1116100974 /nfs/dbraw/zinc/10/09/74/1116100974.db2.gz JCZLLFMDYXCDQS-OAHLLOKOSA-N -1 0 361.511 4.128 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)nn1[C@H](C)C1CC1 ZINC000539644838 1116357051 /nfs/dbraw/zinc/35/70/51/1116357051.db2.gz GMRQEXQWLZNJCP-TZMCWYRMSA-N -1 0 350.447 4.262 20 30 FIEDRM CC[C@@H](C)n1ncc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1C ZINC000464412574 1118547246 /nfs/dbraw/zinc/54/72/46/1118547246.db2.gz STLXUERSUDAVBK-ZWNOBZJWSA-N -1 0 350.344 4.066 20 30 FIEDRM CCSc1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)ccn1 ZINC000464463135 1118571257 /nfs/dbraw/zinc/57/12/57/1118571257.db2.gz BGYBIOVAXASNTQ-LBPRGKRZSA-N -1 0 351.353 4.097 20 30 FIEDRM CCCc1nc(C)c(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)s1 ZINC000464465186 1118571839 /nfs/dbraw/zinc/57/18/39/1118571839.db2.gz FWWPVCRBHXYFIX-NSHDSACASA-N -1 0 353.369 4.308 20 30 FIEDRM CCSc1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cn1 ZINC000464460991 1118578415 /nfs/dbraw/zinc/57/84/15/1118578415.db2.gz LYPWUCLVIPZDRW-GFCCVEGCSA-N -1 0 351.353 4.097 20 30 FIEDRM N#Cc1ccc([O-])c(NC(=O)COC(c2ccccc2)c2ccccc2)c1 ZINC000176401528 1119003041 /nfs/dbraw/zinc/00/30/41/1119003041.db2.gz GAOCMGISULLNKK-UHFFFAOYSA-N -1 0 358.397 4.009 20 30 FIEDRM C[C@H](Oc1cccc(C(=O)/C=C\c2nc3ccc(F)cc3s2)c1)C(=O)[O-] ZINC000761475311 1119057802 /nfs/dbraw/zinc/05/78/02/1119057802.db2.gz CPROJSWMEGMQIM-TVRMLOFPSA-N -1 0 371.389 4.183 20 30 FIEDRM C[C@@H](C#N)Oc1ccc(/C=C\c2nc3ccc(C(=O)[O-])cc3s2)cc1 ZINC000761487070 1119253182 /nfs/dbraw/zinc/25/31/82/1119253182.db2.gz SMWIZAFPEZEBCB-REPPVQDKSA-N -1 0 350.399 4.456 20 30 FIEDRM N#Cc1ccc(NS(=O)(=O)c2ccccc2-c2ccccc2)c(F)c1 ZINC000493209889 1119344621 /nfs/dbraw/zinc/34/46/21/1119344621.db2.gz JSMFHOYWQGRYPE-UHFFFAOYSA-N -1 0 352.390 4.165 20 30 FIEDRM C[C@H](C(=O)[N-][C@@H](c1ccccc1OC(F)F)C(F)(F)F)C(F)(F)F ZINC000493307180 1119437575 /nfs/dbraw/zinc/43/75/75/1119437575.db2.gz VUMVAJXDOMNENS-MUWHJKNJSA-N -1 0 365.220 4.206 20 30 FIEDRM COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000494603762 1119988109 /nfs/dbraw/zinc/98/81/09/1119988109.db2.gz VAKVJPXODSKJOB-UHFFFAOYSA-N -1 0 364.426 4.035 20 30 FIEDRM COc1ccc(-c2nc(C)c(C([O-])=C(C#N)c3nc(C)cs3)s2)cc1 ZINC000642281903 1120092748 /nfs/dbraw/zinc/09/27/48/1120092748.db2.gz QTTHGLPDSJWUAI-AWEZNQCLSA-N -1 0 369.471 4.382 20 30 FIEDRM N#CC(=C([O-])c1csc(C2CC2)n1)c1nc2ccccc2n1C(F)F ZINC000194990462 1120330048 /nfs/dbraw/zinc/33/00/48/1120330048.db2.gz UQTCETSUCXZSMH-SNVBAGLBSA-N -1 0 358.373 4.255 20 30 FIEDRM CCOc1cc(/C=C\C(=O)c2ccc(C(=O)[O-])s2)cc(Cl)c1OC ZINC000213232155 1120486720 /nfs/dbraw/zinc/48/67/20/1120486720.db2.gz OVFMNGUNWKIDNR-PLNGDYQASA-N -1 0 366.822 4.403 20 30 FIEDRM CCN(CC)C(=O)Nc1ccc(C(C)=NNc2ccc(C(=O)[O-])cc2)cc1 ZINC000914772721 1120531030 /nfs/dbraw/zinc/53/10/30/1120531030.db2.gz LYJYJPPNHAVXLT-UHFFFAOYSA-N -1 0 368.437 4.095 20 30 FIEDRM O=C([O-])c1ccc(N=NC=C2COc3ccc(Br)cc3C2)cc1 ZINC000915270070 1120904472 /nfs/dbraw/zinc/90/44/72/1120904472.db2.gz MJFHWAIWCVXEKT-UHFFFAOYSA-N -1 0 373.206 4.021 20 30 FIEDRM C=CCc1cc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)cc(OC)c1OC ZINC000762966881 1121052139 /nfs/dbraw/zinc/05/21/39/1121052139.db2.gz JIKLTPMMCRDZBJ-UHFFFAOYSA-N -1 0 370.430 4.115 20 30 FIEDRM O=C([O-])c1cc(C(=O)/C=C\c2ccc(Br)c(F)c2)cs1 ZINC000763112836 1121121140 /nfs/dbraw/zinc/12/11/40/1121121140.db2.gz CXBXLRDJHCHGFD-RQOWECAXSA-N -1 0 355.184 4.244 20 30 FIEDRM COC(=O)COc1ccc(N=Cc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000915979229 1121360133 /nfs/dbraw/zinc/36/01/33/1121360133.db2.gz NBHBQWWGAXCNLI-UHFFFAOYSA-N -1 0 354.189 4.001 20 30 FIEDRM C[C@H](Cc1ccc(Br)cc1)/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000915978990 1121360578 /nfs/dbraw/zinc/36/05/78/1121360578.db2.gz LGJZOUMIVYPOIR-VDCVXVNISA-N -1 0 363.211 4.113 20 30 FIEDRM COc1ccc(F)cc1[C@H](C)/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000915981365 1121362265 /nfs/dbraw/zinc/36/22/65/1121362265.db2.gz QVTOWJGPOAEDLD-YIKFOQHTSA-N -1 0 352.749 4.282 20 30 FIEDRM COc1ccc(C(=O)/C=C\c2ccc(OC(C)C)cc2)cc1CC(=O)[O-] ZINC000915986168 1121365818 /nfs/dbraw/zinc/36/58/18/1121365818.db2.gz YQCJWKDSWHCADO-POHAHGRESA-N -1 0 354.402 4.006 20 30 FIEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2csc(-c3ccc(F)cc3)n2)cc1 ZINC000915987667 1121366853 /nfs/dbraw/zinc/36/68/53/1121366853.db2.gz IDECRUKYUUJIAP-MDZDMXLPSA-N -1 0 367.401 4.472 20 30 FIEDRM CCOc1cc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)cc(Cl)c1OC ZINC000915987654 1121367301 /nfs/dbraw/zinc/36/73/01/1121367301.db2.gz HXUQGVKHPPTBPN-RMKNXTFCSA-N -1 0 374.820 4.271 20 30 FIEDRM O=C([O-])CCOc1ccc(/C=C2/CSc3c(F)cccc3C2=O)cc1 ZINC000915987867 1121367452 /nfs/dbraw/zinc/36/74/52/1121367452.db2.gz LSWYEOMDLQYSAK-RAXLEYEMSA-N -1 0 358.390 4.051 20 30 FIEDRM O=C([O-])CCOc1ccc(/C=C/C(=O)c2nc3ccccc3s2)cc1 ZINC000915987582 1121367500 /nfs/dbraw/zinc/36/75/00/1121367500.db2.gz HIPGUZYVYZEXIP-JXMROGBWSA-N -1 0 353.399 4.046 20 30 FIEDRM O=C([O-])Cc1ccc(C(=O)/C=C\c2cc(Cl)c3c(c2)OCCCO3)cc1 ZINC000915987877 1121367730 /nfs/dbraw/zinc/36/77/30/1121367730.db2.gz MCBGINLBLJVGGO-DAXSKMNVSA-N -1 0 372.804 4.025 20 30 FIEDRM O=C([O-])Cc1ccc(C(=O)/C=C\c2cc(Br)ccc2F)cc1 ZINC000915990477 1121369253 /nfs/dbraw/zinc/36/92/53/1121369253.db2.gz LVKAWEFFMSIKAP-YVMONPNESA-N -1 0 363.182 4.111 20 30 FIEDRM O=C([O-])COc1ccc(/C=C\C(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000916137546 1121425573 /nfs/dbraw/zinc/42/55/73/1121425573.db2.gz HQNVAAYNBXWCGE-BAQGIRSFSA-N -1 0 351.185 4.353 20 30 FIEDRM O=C([O-])COc1ccc(/C=C\C(=O)c2ccc(N3CCCCC3)cc2)cc1 ZINC000916154428 1121429418 /nfs/dbraw/zinc/42/94/18/1121429418.db2.gz JSHQHIWTLACALK-MLPAPPSSSA-N -1 0 365.429 4.036 20 30 FIEDRM COc1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)ccc1OC(C)C ZINC000916260158 1121455189 /nfs/dbraw/zinc/45/51/89/1121455189.db2.gz PZBXFEXMEDLGPY-UHFFFAOYSA-N -1 0 362.813 4.280 20 30 FIEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000763370148 1121480484 /nfs/dbraw/zinc/48/04/84/1121480484.db2.gz LIINPSMCOQJDSZ-SNVBAGLBSA-N -1 0 368.220 4.342 20 30 FIEDRM CCCOc1c(Cl)cc(C=NNc2ccc(C(=O)[O-])cc2)cc1OC ZINC000916540918 1121537240 /nfs/dbraw/zinc/53/72/40/1121537240.db2.gz XMTVPAMOPUZWTM-UHFFFAOYSA-N -1 0 362.813 4.282 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3occ4c3CCC4)n2)cc1 ZINC000671757758 1121774596 /nfs/dbraw/zinc/77/45/96/1121774596.db2.gz WQMYBHGFVFGVNQ-MRXNPFEDSA-N -1 0 364.426 4.390 20 30 FIEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cc2c(s1)-c1ccccc1CC2 ZINC000916874700 1121905357 /nfs/dbraw/zinc/90/53/57/1121905357.db2.gz IDXZKJGPHUSNLE-QGZVFWFLSA-N -1 0 366.486 4.143 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc2c(c1)-c1ccccc1C2 ZINC000916876259 1121906342 /nfs/dbraw/zinc/90/63/42/1121906342.db2.gz VRAZKBDHHBXUNP-OAQYLSRUSA-N -1 0 360.457 4.277 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1csc(-c2ccc(C)cc2)n1 ZINC000916875627 1121906636 /nfs/dbraw/zinc/90/66/36/1121906636.db2.gz FQTIMGJFKIIGGS-INIZCTEOSA-N -1 0 369.490 4.138 20 30 FIEDRM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000066814051 1122099240 /nfs/dbraw/zinc/09/92/40/1122099240.db2.gz ARUBBGLFUSPWQK-LLVKDONJSA-N -1 0 368.430 4.160 20 30 FIEDRM C=CCCO[N-]C(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 ZINC001168627605 1122188552 /nfs/dbraw/zinc/18/85/52/1122188552.db2.gz RZUSFQPHXIRANJ-UHFFFAOYSA-N -1 0 357.262 4.283 20 30 FIEDRM O=C([O-])c1ccc(-c2ccc(C(=O)/C=C\c3ccc4c(c3)CCO4)cc2)o1 ZINC000917520189 1122344912 /nfs/dbraw/zinc/34/49/12/1122344912.db2.gz ZAKNDDLPJTVHKQ-XFSBKJJWSA-N -1 0 360.365 4.476 20 30 FIEDRM COC(=O)COc1ccc(N=Cc2cc(Cl)cc(Cl)c2[O-])c(C)c1 ZINC000917558124 1122352173 /nfs/dbraw/zinc/35/21/73/1122352173.db2.gz HLUPQODRYLRYRE-UHFFFAOYSA-N -1 0 368.216 4.310 20 30 FIEDRM Cc1cc(COc2ccc(/C=C/c3ccc(C#N)cn3)cc2)oc1C(=O)[O-] ZINC000609261790 1122361161 /nfs/dbraw/zinc/36/11/61/1122361161.db2.gz SSSPYVBAVFVRLJ-QHHAFSJGSA-N -1 0 360.369 4.302 20 30 FIEDRM O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc(OC(F)F)c3ncccc23)c1 ZINC000918712699 1122758688 /nfs/dbraw/zinc/75/86/88/1122758688.db2.gz DMXJHOWKZHRXMU-UHFFFAOYSA-N -1 0 359.288 4.201 20 30 FIEDRM CSc1[n-]c(=O)c(C(=O)O[C@@H](C)c2ccc(Cl)s2)cc1C#N ZINC001127476892 1122941632 /nfs/dbraw/zinc/94/16/32/1122941632.db2.gz QTXCZFCXAQPTMH-ZETCQYMHSA-N -1 0 354.840 4.014 20 30 FIEDRM CCc1nc(C([O-])=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)c(C)o1 ZINC000556895114 1123171682 /nfs/dbraw/zinc/17/16/82/1123171682.db2.gz JVSGSLUFIPYEIW-AWEZNQCLSA-N -1 0 367.430 4.168 20 30 FIEDRM N#CC1(C(=O)Nc2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)CCCCC1 ZINC000920023824 1123311698 /nfs/dbraw/zinc/31/16/98/1123311698.db2.gz GSMNPTVRBQQKTR-UHFFFAOYSA-N -1 0 372.424 4.197 20 30 FIEDRM O=C([O-])COc1cccc(C(=O)/C=C\c2ccccc2OC2CCCC2)c1 ZINC000920065256 1123324911 /nfs/dbraw/zinc/32/49/11/1123324911.db2.gz UQUPRPGLYYNQOS-SEYXRHQNSA-N -1 0 366.413 4.368 20 30 FIEDRM Cc1c(C(=O)[O-])oc2c1C(=O)/C(=C/c1cccc(Br)c1)CC2 ZINC000920065617 1123325797 /nfs/dbraw/zinc/32/57/97/1123325797.db2.gz AUQBTRRZGPORCU-YRNVUSSQSA-N -1 0 361.191 4.261 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@H](C)Oc1cccc(C)c1 ZINC000920102748 1123350631 /nfs/dbraw/zinc/35/06/31/1123350631.db2.gz YASGKGQKTMNXHU-MAUKXSAKSA-N -1 0 360.413 4.144 20 30 FIEDRM [O-]c1c(Cl)cc(Cl)cc1/C=N/Cc1ccc(N2CCOCC2)cc1 ZINC000920174499 1123403391 /nfs/dbraw/zinc/40/33/91/1123403391.db2.gz NSDQOHHBKKHZKD-CIAFOILYSA-N -1 0 365.260 4.155 20 30 FIEDRM O=[N+]([O-])c1ccc([O-])c(/C=N\[C@H]2CCc3cc(Br)ccc32)c1 ZINC000920174000 1123403446 /nfs/dbraw/zinc/40/34/46/1123403446.db2.gz IOXLRHLEDKTSFS-QJVAEYLJSA-N -1 0 361.195 4.169 20 30 FIEDRM Cc1ccc([N+](=O)[O-])cc1C([O-])=C(C#N)c1nc2cc(F)ccc2s1 ZINC000609321877 1123534407 /nfs/dbraw/zinc/53/44/07/1123534407.db2.gz OYBTXBKQNATTFX-CYBMUJFWSA-N -1 0 355.350 4.142 20 30 FIEDRM COC(=O)c1cc(C/N=C/c2cc(Cl)cc(Cl)c2[O-])ccc1OC ZINC000920942341 1123539643 /nfs/dbraw/zinc/53/96/43/1123539643.db2.gz ZBMGWZXHDQBXOR-AWQFTUOYSA-N -1 0 368.216 4.113 20 30 FIEDRM O=[N+]([O-])c1ccc([O-])c(C=Nc2ccc3c(c2)nc2n3CCCCC2)c1 ZINC000920944299 1123540521 /nfs/dbraw/zinc/54/05/21/1123540521.db2.gz LJTSUJMFIHZBMA-UHFFFAOYSA-N -1 0 350.378 4.127 20 30 FIEDRM CCCCCCCCc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])o2)s1 ZINC000920970358 1123547426 /nfs/dbraw/zinc/54/74/26/1123547426.db2.gz IBGSTRNPKUNFRG-UHFFFAOYSA-N -1 0 352.416 4.195 20 30 FIEDRM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000609985611 1123907896 /nfs/dbraw/zinc/90/78/96/1123907896.db2.gz XLQDVQYTOTVRNS-UHFFFAOYSA-N -1 0 368.380 4.330 20 30 FIEDRM Cc1cccc(CCC(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000064696491 1123921408 /nfs/dbraw/zinc/92/14/08/1123921408.db2.gz XJCVQEMPKHUQOV-UHFFFAOYSA-N -1 0 355.818 4.066 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccccc2N(C)C(=O)C2CC2)n1 ZINC000080452802 1123966254 /nfs/dbraw/zinc/96/62/54/1123966254.db2.gz VANLDXFKPBWJSX-HNNXBMFYSA-N -1 0 367.474 4.129 20 30 FIEDRM Cc1ccccc1-n1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cn1 ZINC000080455977 1123966423 /nfs/dbraw/zinc/96/64/23/1123966423.db2.gz DGYWLJHCHDHOIU-OAHLLOKOSA-N -1 0 350.447 4.251 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)nn1-c1ccc(C)cc1 ZINC000179916435 1124141919 /nfs/dbraw/zinc/14/19/19/1124141919.db2.gz PDZZVKLSUSZKOX-MRXNPFEDSA-N -1 0 356.385 4.120 20 30 FIEDRM N#CC(=C([O-])c1ccc(C#N)cc1)c1nc(-c2c(F)cccc2F)cs1 ZINC000068348766 1124190212 /nfs/dbraw/zinc/19/02/12/1124190212.db2.gz TYPQJHTXWLTBMT-CYBMUJFWSA-N -1 0 365.364 4.450 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)nn1-c1ccc(F)cc1 ZINC000180067930 1124218966 /nfs/dbraw/zinc/21/89/66/1124218966.db2.gz PRVVNAKGKDXKGE-OAHLLOKOSA-N -1 0 368.437 4.390 20 30 FIEDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2SCCC#N)c(C)s1 ZINC000108250815 1124269050 /nfs/dbraw/zinc/26/90/50/1124269050.db2.gz AOSZBCZKHDUETF-UHFFFAOYSA-N -1 0 352.506 4.172 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2SC[C@H](C)C#N)c(F)c1 ZINC000108252119 1124271008 /nfs/dbraw/zinc/27/10/08/1124271008.db2.gz BWECWJIIPWQDFS-CYBMUJFWSA-N -1 0 364.467 4.187 20 30 FIEDRM CCCc1c(C([O-])=C(C#N)c2nc(C)cs2)cnn1-c1ccccc1 ZINC000181462316 1124944635 /nfs/dbraw/zinc/94/46/35/1124944635.db2.gz JDCCZXGMDFDJKD-OAHLLOKOSA-N -1 0 350.447 4.080 20 30 FIEDRM CCCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000070030511 1125243724 /nfs/dbraw/zinc/24/37/24/1125243724.db2.gz GAGBWBSKFAWLFF-OAHLLOKOSA-N -1 0 350.484 4.341 20 30 FIEDRM CCCCS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000070030933 1125244113 /nfs/dbraw/zinc/24/41/13/1125244113.db2.gz YAJXMJHSUJZHNZ-MNOVXSKESA-N -1 0 350.267 4.183 20 30 FIEDRM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)c1cc(Cl)ccc1Cl ZINC000028461782 220576978 /nfs/dbraw/zinc/57/69/78/220576978.db2.gz GTPVVMNITWCPPU-UHFFFAOYSA-N -1 0 364.637 4.340 20 30 FIEDRM Cc1ccc(C)c(C(=O)N[C@@H](CCCC#N)c2ccccc2)c1C(=O)[O-] ZINC000601994366 567898773 /nfs/dbraw/zinc/89/87/73/567898773.db2.gz QPKOXCRJFXXWLI-KRWDZBQOSA-N -1 0 350.418 4.167 20 30 FIEDRM C[C@](CC(=O)[O-])(C(=O)N[C@@H](CCCC#N)c1ccccc1)c1ccsc1 ZINC000601995128 567898899 /nfs/dbraw/zinc/89/88/99/567898899.db2.gz SKFPHJKCPHIKFW-FXAWDEMLSA-N -1 0 370.474 4.032 20 30 FIEDRM CC(C)Cc1nc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cs1 ZINC000064100373 567995744 /nfs/dbraw/zinc/99/57/44/567995744.db2.gz VKSIIARNIHPUHV-NSHDSACASA-N -1 0 353.369 4.245 20 30 FIEDRM C=C(C)COc1cccc(NC(=O)N[C@@](CC)(C(=O)[O-])c2ccccc2)c1 ZINC000569420979 939375027 /nfs/dbraw/zinc/37/50/27/939375027.db2.gz GJFCECQGHUAHOF-OAQYLSRUSA-N -1 0 368.433 4.153 20 30 FIEDRM O=C(NC(CCC(F)(F)F)CCC(F)(F)F)c1ccc(F)cc1[O-] ZINC000619127039 1125475124 /nfs/dbraw/zinc/47/51/24/1125475124.db2.gz QGQGRXFFFRJHJC-UHFFFAOYSA-N -1 0 361.257 4.315 20 30 FIEDRM N#CC(=C([O-])c1ccc2[nH]c(=O)oc2c1)c1nc2cc(Cl)ccc2s1 ZINC000619753851 1125680931 /nfs/dbraw/zinc/68/09/31/1125680931.db2.gz YNFLAPLATHHABO-SNVBAGLBSA-N -1 0 369.789 4.287 20 30 FIEDRM C=C[C@@H](CC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1)c1ccccc1 ZINC000683311290 1080560482 /nfs/dbraw/zinc/56/04/82/1080560482.db2.gz AHOAJPURTAMUCM-HNNXBMFYSA-N -1 0 374.440 4.111 20 30 FIEDRM O=C([O-])COc1ccc(/C=C\C(=O)c2cccc(-c3ccncc3)c2)cc1 ZINC000255059191 1081055209 /nfs/dbraw/zinc/05/52/09/1081055209.db2.gz OTXIHTHJVPOBHU-TWGQIWQCSA-N -1 0 359.381 4.108 20 30 FIEDRM CCCCCCN(Cc1ccco1)C(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000890937000 1081114192 /nfs/dbraw/zinc/11/41/92/1081114192.db2.gz VXACBNCIIZMGBE-UHFFFAOYSA-N -1 0 373.478 4.196 20 30 FIEDRM COc1cccc(CCC(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)c1 ZINC000121000388 1081148125 /nfs/dbraw/zinc/14/81/25/1081148125.db2.gz SLDJULOHURLJIM-SFHVURJKSA-N -1 0 360.413 4.009 20 30 FIEDRM O=C(/C=C\c1cc([O-])ccc1[N+](=O)[O-])c1cc(Br)ccc1F ZINC000255106791 1081188859 /nfs/dbraw/zinc/18/88/59/1081188859.db2.gz AYMWVYCQHJAKEV-BHQIHCQQSA-N -1 0 366.142 4.098 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)COc1ccc(C)c(C)c1 ZINC000121039253 1081229387 /nfs/dbraw/zinc/22/93/87/1081229387.db2.gz IMYGMUWRQYKRNH-GOSISDBHSA-N -1 0 360.413 4.064 20 30 FIEDRM C=CCC[C@@H](NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655873193 1081286888 /nfs/dbraw/zinc/28/68/88/1081286888.db2.gz TZEPCAUTIQNWBS-BZZMCLGOSA-N -1 0 358.482 4.129 20 30 FIEDRM C=CCC[C@@H](NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccccc1 ZINC000655873194 1081286947 /nfs/dbraw/zinc/28/69/47/1081286947.db2.gz TZEPCAUTIQNWBS-DZJNRPSUSA-N -1 0 358.482 4.129 20 30 FIEDRM COc1ncccc1C([O-])=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000122291228 1081314851 /nfs/dbraw/zinc/31/48/51/1081314851.db2.gz UWAUXWTZEKXVPX-AWEZNQCLSA-N -1 0 369.833 4.357 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3nc(C)c(C)s3)n2)cc1 ZINC000683689963 1081387547 /nfs/dbraw/zinc/38/75/47/1081387547.db2.gz VNHBFCSIKGCZMO-AWEZNQCLSA-N -1 0 369.471 4.382 20 30 FIEDRM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1cc(Cl)c(Cl)n1C ZINC000121102479 1081453153 /nfs/dbraw/zinc/45/31/53/1081453153.db2.gz XIPGKGGRHACZLL-NSHDSACASA-N -1 0 374.227 4.327 20 30 FIEDRM O=C([N-]S(=O)(=O)Cc1ccccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000083791514 1081548864 /nfs/dbraw/zinc/54/88/64/1081548864.db2.gz GQBMICGRYCDGOP-UHFFFAOYSA-N -1 0 367.898 4.343 20 30 FIEDRM CSc1ccc2c(c1)CC/C(=C/c1cccc(OCCC(=O)[O-])c1)C2=O ZINC000748145893 1081569625 /nfs/dbraw/zinc/56/96/25/1081569625.db2.gz CTQFBBYSWKFJQW-WJDWOHSUSA-N -1 0 368.454 4.475 20 30 FIEDRM [O-]c1c(Cl)cc(Cl)cc1C=Nc1cc(F)cc(N2CCOCC2)c1 ZINC000748149115 1081710334 /nfs/dbraw/zinc/71/03/34/1081710334.db2.gz TYGNESRDNGFVOU-UHFFFAOYSA-N -1 0 369.223 4.425 20 30 FIEDRM C=CCN1c2ccc(Nc3cccc([S-])c3)cc2C2(CCOCC2)C1=O ZINC001210947596 1081875160 /nfs/dbraw/zinc/87/51/60/1081875160.db2.gz USKRMONXOHCLKK-UHFFFAOYSA-N -1 0 366.486 4.300 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)cc1C ZINC000050204684 1081921304 /nfs/dbraw/zinc/92/13/04/1081921304.db2.gz WWWXQRVIZUELKZ-IAGOWNOFSA-N -1 0 363.866 4.406 20 30 FIEDRM C[C@@H](Oc1cccc(/C=C\C(=O)c2cccc(-c3ccncc3)c2)c1)C(=O)[O-] ZINC000255290333 1082469265 /nfs/dbraw/zinc/46/92/65/1082469265.db2.gz COWZZDNRWWKDIJ-HLRDLLSLSA-N -1 0 373.408 4.497 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cc(-c3ccc(F)cc3)[nH]n2)s1 ZINC000430584647 1082524251 /nfs/dbraw/zinc/52/42/51/1082524251.db2.gz PIRXYLSQSVZRGZ-CYBMUJFWSA-N -1 0 368.437 4.460 20 30 FIEDRM COc1ccc(CCCC(=O)[N-]S(=O)(=O)[C@@H](C)c2ccccc2)cc1 ZINC000077880200 1082797838 /nfs/dbraw/zinc/79/78/38/1082797838.db2.gz XWZYBACYGHWONA-HNNXBMFYSA-N -1 0 361.463 4.065 20 30 FIEDRM Cc1ccc(C(=O)CCC(=O)[N-]S(=O)(=O)[C@H](C)c2ccccc2)s1 ZINC000077880612 1082798040 /nfs/dbraw/zinc/79/80/40/1082798040.db2.gz GGHIEOCMZIGDCD-CYBMUJFWSA-N -1 0 365.476 4.067 20 30 FIEDRM Cn1c2ccccc2nc1[C@H](C#N)C(=O)C=Cc1cnc(C(C)(C)C)s1 ZINC000255366873 1082822570 /nfs/dbraw/zinc/82/25/70/1082822570.db2.gz VCGKYKDTBKXDLM-CFYYFVFUSA-N -1 0 364.474 4.217 20 30 FIEDRM CC(C)Oc1ccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)nc1 ZINC000581706267 1082826224 /nfs/dbraw/zinc/82/62/24/1082826224.db2.gz UDAPGJRAYRWWAH-INIZCTEOSA-N -1 0 363.442 4.482 20 30 FIEDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2SC[C@H](C)C#N)sc1C ZINC000091017539 1083272839 /nfs/dbraw/zinc/27/28/39/1083272839.db2.gz AHLPNISOYKUHCU-LLVKDONJSA-N -1 0 366.533 4.418 20 30 FIEDRM N#C[C@@H](NC(=O)c1c(F)ccc(F)c1F)c1cccc(Cl)c1Cl ZINC000121608223 1083295591 /nfs/dbraw/zinc/29/55/91/1083295591.db2.gz AGORZAGXHSQKDE-LLVKDONJSA-N -1 0 359.134 4.405 20 30 FIEDRM COc1cc(/C=C\C(=O)c2cccc(C)c2C)ccc1OCCC(=O)[O-] ZINC000588460310 1083330184 /nfs/dbraw/zinc/33/01/84/1083330184.db2.gz FFXRAPCGTANODR-CLFYSBASSA-N -1 0 354.402 4.062 20 30 FIEDRM O=C1OCCN1Cc1ccc(N=Cc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000255730470 1083453192 /nfs/dbraw/zinc/45/31/92/1083453192.db2.gz NLBDPEQECRRPIY-UHFFFAOYSA-N -1 0 365.216 4.402 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1cc2nc(C)ccc2o1 ZINC000179588691 1083565219 /nfs/dbraw/zinc/56/52/19/1083565219.db2.gz ZPIOYJKGGQHUDL-AWEZNQCLSA-N -1 0 357.369 4.131 20 30 FIEDRM CSc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)ccn1 ZINC000181427230 1083910942 /nfs/dbraw/zinc/91/09/42/1083910942.db2.gz GWDLBBMNMOITOJ-NSHDSACASA-N -1 0 358.373 4.038 20 30 FIEDRM N#CC(=C([O-])c1cncnc1-c1ccccc1)c1nc2cc(F)ccc2s1 ZINC000685788236 1083942673 /nfs/dbraw/zinc/94/26/73/1083942673.db2.gz YFPCUTHUFZLMNR-AWEZNQCLSA-N -1 0 374.400 4.382 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCCCOc2cccc(C)c2)s1 ZINC000066002782 1083943934 /nfs/dbraw/zinc/94/39/34/1083943934.db2.gz QBGMWFAUGYZVIR-UHFFFAOYSA-N -1 0 367.492 4.259 20 30 FIEDRM Cc1c2cccc(C)c2oc1C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000066003411 1083945457 /nfs/dbraw/zinc/94/54/57/1083945457.db2.gz UIEJCXRKSGGKHY-UHFFFAOYSA-N -1 0 361.394 4.023 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2cnc(Oc3ccccc3)cn2)n1 ZINC000091106363 1084022077 /nfs/dbraw/zinc/02/20/77/1084022077.db2.gz JAXMABIWRJFSSA-AWEZNQCLSA-N -1 0 364.430 4.339 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C#N)cc3)cc2)o1 ZINC000539114961 1084332633 /nfs/dbraw/zinc/33/26/33/1084332633.db2.gz OPGBYIFSFYHTKI-UHFFFAOYSA-N -1 0 354.387 4.053 20 30 FIEDRM C=CCN(C(=O)Nc1ccc(SC)cc1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000684742114 1084571242 /nfs/dbraw/zinc/57/12/42/1084571242.db2.gz NWNMMPXVLOOMTG-SFHVURJKSA-N -1 0 370.474 4.124 20 30 FIEDRM N#CC(=C([O-])c1cc(-c2ccoc2)[nH]n1)c1nc(-c2ccccc2)cs1 ZINC000613392088 1084683380 /nfs/dbraw/zinc/68/33/80/1084683380.db2.gz IGIRFIYTQYWWKZ-CQSZACIVSA-N -1 0 360.398 4.283 20 30 FIEDRM N#CC(=C([O-])c1ccc(F)c(Br)c1)c1nc2ccccc2o1 ZINC000174013754 1084720258 /nfs/dbraw/zinc/72/02/58/1084720258.db2.gz NRGZVUINVPGDQW-JTQLQIEISA-N -1 0 359.154 4.219 20 30 FIEDRM Cc1ccc(Br)cc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000174015273 1084721911 /nfs/dbraw/zinc/72/19/11/1084721911.db2.gz OSTRXTAYBOFJEO-CYBMUJFWSA-N -1 0 355.191 4.389 20 30 FIEDRM N#CC(=C([O-])c1ccc([N+](=O)[O-])cc1)c1nc2cc(Cl)ccc2s1 ZINC000119969623 1084749506 /nfs/dbraw/zinc/74/95/06/1084749506.db2.gz KEEFXGIBRSASTN-GFCCVEGCSA-N -1 0 357.778 4.348 20 30 FIEDRM C[S@@](=O)c1ccc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cc1 ZINC000119987596 1084767611 /nfs/dbraw/zinc/76/76/11/1084767611.db2.gz PBQLOLCCZIZWFD-OZAJXLCCSA-N -1 0 374.874 4.177 20 30 FIEDRM CC(C)c1ccc2occ(C(=O)N=c3[n-]n(C(C)(C)C)cc3C#N)c2c1 ZINC000582264775 1084807628 /nfs/dbraw/zinc/80/76/28/1084807628.db2.gz ZABRUUFYLYVVOU-UHFFFAOYSA-N -1 0 350.422 4.054 20 30 FIEDRM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccccc1S[C@@H](C)CC#N ZINC000174717414 1084818832 /nfs/dbraw/zinc/81/88/32/1084818832.db2.gz CHUUYWQAGZHKBY-LBPRGKRZSA-N -1 0 364.467 4.329 20 30 FIEDRM Cn1nc(C(C)(C)C)cc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000120035127 1084834349 /nfs/dbraw/zinc/83/43/49/1084834349.db2.gz YFECWDWFUPDNPE-NSHDSACASA-N -1 0 372.881 4.471 20 30 FIEDRM C#Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000024346824 1084899468 /nfs/dbraw/zinc/89/94/68/1084899468.db2.gz XMGZGALHYRCBSC-UHFFFAOYSA-N -1 0 359.756 4.141 20 30 FIEDRM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000048472372 1085000350 /nfs/dbraw/zinc/00/03/50/1085000350.db2.gz UQOOKWBCIOCQIT-CHWSQXEVSA-N -1 0 363.401 4.317 20 30 FIEDRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCC2)C12CC3CC(CC(C3)C1)C2 ZINC000048612630 1085002319 /nfs/dbraw/zinc/00/23/19/1085002319.db2.gz GEYSGSBYYLJMFZ-UHFFFAOYSA-N -1 0 359.491 4.037 20 30 FIEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(-c2ccc(Cl)cc2)s1 ZINC000124729837 1085172874 /nfs/dbraw/zinc/17/28/74/1085172874.db2.gz ZSMITIHNKPCISN-CQSZACIVSA-N -1 0 358.850 4.013 20 30 FIEDRM N#CC(=C([O-])C=Cc1ccc(Cl)nc1)c1nc(-c2ccncc2)cs1 ZINC000255539817 1085622864 /nfs/dbraw/zinc/62/28/64/1085622864.db2.gz HXHCACMRUGFKFO-VXYRWZGASA-N -1 0 366.833 4.143 20 30 FIEDRM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(C#N)ccc1OC(C)C ZINC000511230800 1086127713 /nfs/dbraw/zinc/12/77/13/1086127713.db2.gz CSKPZJTUOLIFMT-UHFFFAOYSA-N -1 0 364.854 4.108 20 30 FIEDRM Cc1ccccc1OCCCC(=O)[N-]S(=O)(=O)[C@@H](C)c1ccccc1 ZINC000077879587 1086721022 /nfs/dbraw/zinc/72/10/22/1086721022.db2.gz RRJTXZIKFMIJIZ-INIZCTEOSA-N -1 0 361.463 4.202 20 30 FIEDRM CC(C)Cn1ncc2cc(C([O-])=C(C#N)c3nc(C(C)C)cs3)cnc21 ZINC000080459950 1086746129 /nfs/dbraw/zinc/74/61/29/1086746129.db2.gz UFSJMOFIGIEZIJ-HNNXBMFYSA-N -1 0 367.478 4.157 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cnc(-c3ccccn3)s2)s1 ZINC000583542163 1086780741 /nfs/dbraw/zinc/78/07/41/1086780741.db2.gz YLDUVMPVYITVTJ-LLVKDONJSA-N -1 0 368.487 4.449 20 30 FIEDRM CC(C)n1ncc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1C1CC1 ZINC000161899051 1086978408 /nfs/dbraw/zinc/97/84/08/1086978408.db2.gz LUXWMARYXHMFTR-ZDUSSCGKSA-N -1 0 362.355 4.245 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000892423786 1087757767 /nfs/dbraw/zinc/75/77/67/1087757767.db2.gz KEHZTQRMGMWWHZ-NQKGRLOXSA-N -1 0 352.459 4.042 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc(C3CC3)cs2)cnn1-c1ccc(F)cc1 ZINC000647375075 1087794759 /nfs/dbraw/zinc/79/47/59/1087794759.db2.gz RIQVGCMLCUXOID-HNNXBMFYSA-N -1 0 366.421 4.144 20 30 FIEDRM CCCCn1ncc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c1C ZINC000122121794 1087873709 /nfs/dbraw/zinc/87/37/09/1087873709.db2.gz LOBYUBUHMYWBRO-OAHLLOKOSA-N -1 0 365.462 4.000 20 30 FIEDRM N#CC(C(=O)NC1CC1)=C([O-])c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000180737662 1088054359 /nfs/dbraw/zinc/05/43/59/1088054359.db2.gz BXCOXWKHRUAIBY-QGZVFWFLSA-N -1 0 370.861 4.092 20 30 FIEDRM COc1c(C)cc(C([O-])=C(C#N)C(=O)c2c(C)[nH]c3ccccc32)cc1C ZINC000180732869 1088060125 /nfs/dbraw/zinc/06/01/25/1088060125.db2.gz ZOJQBRAELNWAQJ-KRWDZBQOSA-N -1 0 360.413 4.307 20 30 FIEDRM C[C@H](Oc1cccc(C(=O)/C=C\c2cc(Cl)cc3c2OCC3)c1)C(=O)[O-] ZINC000782890432 1088505842 /nfs/dbraw/zinc/50/58/42/1088505842.db2.gz YXBYWQUFTUPWMW-FJOGCWAESA-N -1 0 372.804 4.023 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1[O-] ZINC000190013304 1088750030 /nfs/dbraw/zinc/75/00/30/1088750030.db2.gz IFDBDTVJFNFLSL-UHFFFAOYSA-N -1 0 372.384 4.160 20 30 FIEDRM COCCn1nc(C)c(C(=O)/C=C/c2cc(Cl)c([O-])cc2Cl)c1C ZINC000122316227 1088989535 /nfs/dbraw/zinc/98/95/35/1088989535.db2.gz IZPPFHLDVCBFPO-SNAWJCMRSA-N -1 0 369.248 4.055 20 30 FIEDRM N#CC(=C([O-])c1cc(C2CCCCC2)[nH]n1)c1ccc(C(F)(F)F)cn1 ZINC000136158741 1089087236 /nfs/dbraw/zinc/08/72/36/1089087236.db2.gz JKGMNCOLJOUSBE-CYBMUJFWSA-N -1 0 362.355 4.361 20 30 FIEDRM Cc1cn(-c2ccc(F)cc2)nc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000549191567 1089182886 /nfs/dbraw/zinc/18/28/86/1089182886.db2.gz VKBXCLKEOQKKFB-LJQANCHMSA-N -1 0 370.387 4.358 20 30 FIEDRM COc1ccc(Oc2ccc(C=C(C)c3nc(C)c(C#N)c(=O)[n-]3)cc2)cc1 ZINC000435339516 1089546338 /nfs/dbraw/zinc/54/63/38/1089546338.db2.gz UVNICXZFOULBDR-WYMLVPIESA-N -1 0 373.412 4.311 20 30 FIEDRM N#Cc1csc(CN[C@H](CCC(=O)[O-])c2ccc(Cl)c(Cl)c2)n1 ZINC000417566494 1090929781 /nfs/dbraw/zinc/92/97/81/1090929781.db2.gz IKBJIHBKRJHVEU-CYBMUJFWSA-N -1 0 370.261 4.017 20 30 FIEDRM C[C@@H](Cc1ccc(NCc2ccc(C#N)cc2C(F)(F)F)cc1)C(=O)[O-] ZINC000417613732 1090943308 /nfs/dbraw/zinc/94/33/08/1090943308.db2.gz UCFQUXHBHXQOIT-LBPRGKRZSA-N -1 0 362.351 4.452 20 30 FIEDRM COCCSc1ccc([C@H](C)/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000728785700 1091076691 /nfs/dbraw/zinc/07/66/91/1091076691.db2.gz OJTLFDMHIIDJMD-HCZVKUGISA-N -1 0 360.435 4.219 20 30 FIEDRM CC[C@@H](NC(=O)C(C#N)=C([O-])c1cccc(Cl)c1C)c1ccccc1 ZINC000193884173 1091330383 /nfs/dbraw/zinc/33/03/83/1091330383.db2.gz GLIHWCGAMOAJPA-SJLPKXTDSA-N -1 0 354.837 4.238 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c(Cl)c1 ZINC000321844828 1091348827 /nfs/dbraw/zinc/34/88/27/1091348827.db2.gz IPKZRGGVPMHHTK-UHFFFAOYSA-N -1 0 360.744 4.031 20 30 FIEDRM CCC(CC)c1n[n-]c(=NC(=O)N[C@H](CCCC#N)c2ccccc2)s1 ZINC000432640150 1092019208 /nfs/dbraw/zinc/01/92/08/1092019208.db2.gz DAXGNVWBXSGVID-MRXNPFEDSA-N -1 0 371.510 4.420 20 30 FIEDRM C=C(C)CN(CC)C(=O)c1ccccc1SCc1occc1C(=O)[O-] ZINC000236916958 1092123190 /nfs/dbraw/zinc/12/31/90/1092123190.db2.gz ZAEGFNPBUQICBG-UHFFFAOYSA-N -1 0 359.447 4.308 20 30 FIEDRM COCCCOc1cccc(C([O-])=C(C#N)c2nc3ccccc3s2)c1 ZINC000442621608 1092702613 /nfs/dbraw/zinc/70/26/13/1092702613.db2.gz ZCNGLCGLBDYGLM-MRXNPFEDSA-N -1 0 366.442 4.202 20 30 FIEDRM C=C[C@@H](CC(=O)N[C@H](CC(=O)[O-])c1ccc(SC)cc1)c1ccccc1 ZINC000191071710 1092983327 /nfs/dbraw/zinc/98/33/27/1092983327.db2.gz FSGBRBREKOBFQJ-HNAYVOBHSA-N -1 0 369.486 4.400 20 30 FIEDRM CC(C)n1cc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)nn1 ZINC000429678135 1093206278 /nfs/dbraw/zinc/20/62/78/1093206278.db2.gz AUSADPSKICHEGD-ZDUSSCGKSA-N -1 0 371.853 4.126 20 30 FIEDRM CN(C(=O)N=c1[n-]nc(SCc2ccccc2)s1)C(C1CC1)C1CC1 ZINC000051584760 1093406710 /nfs/dbraw/zinc/40/67/10/1093406710.db2.gz BXVPXCCRGJANBO-UHFFFAOYSA-N -1 0 374.535 4.496 20 30 FIEDRM O=C([O-])COc1ccc(/C=C2/Cc3c(ccc(Cl)c3Cl)C2=O)cc1 ZINC000729150587 1093935112 /nfs/dbraw/zinc/93/51/12/1093935112.db2.gz LHAMFYJBKPMJAR-XFFZJAGNSA-N -1 0 363.196 4.279 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2NC(=O)c2ccccc2)n1 ZINC000041516563 1094641905 /nfs/dbraw/zinc/64/19/05/1094641905.db2.gz QIVGMONPFWRBBK-INIZCTEOSA-N -1 0 361.426 4.194 20 30 FIEDRM N#CC(=C([O-])c1csc(Cc2ccccc2)n1)c1nc2ccccc2o1 ZINC000041539079 1094647402 /nfs/dbraw/zinc/64/74/02/1094647402.db2.gz JBOBRAWBLDTKCA-CQSZACIVSA-N -1 0 359.410 4.365 20 30 FIEDRM CCOc1c(Cl)cc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1OC ZINC000041547956 1094649515 /nfs/dbraw/zinc/64/95/15/1094649515.db2.gz JQCNJIDMYVGQFR-LBPRGKRZSA-N -1 0 370.792 4.379 20 30 FIEDRM CSc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1C ZINC000504061217 1096651214 /nfs/dbraw/zinc/65/12/14/1096651214.db2.gz STXJZLXFYISHGD-UHFFFAOYSA-N -1 0 352.868 4.043 20 30 FIEDRM C=CCc1cc(/C=C\c2nc3cc(C(=O)[O-])ccc3o2)cc(OC)c1O ZINC000436783892 1099315129 /nfs/dbraw/zinc/31/51/29/1099315129.db2.gz NYTQIPGFFVYUQT-YVMONPNESA-N -1 0 351.358 4.139 20 30 FIEDRM CCOC(=O)CCCc1ccc(C#N)cc1Nc1ccc(O)c(F)c1F ZINC001212016631 1099382614 /nfs/dbraw/zinc/38/26/14/1099382614.db2.gz ZQTRQZBFXPTTPP-UHFFFAOYSA-N -1 0 360.360 4.171 20 30 FIEDRM Cn1ncc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)c1C(F)F ZINC000067620554 1099427235 /nfs/dbraw/zinc/42/72/35/1099427235.db2.gz NMTYUEWTYQFESW-MRVPVSSYSA-N -1 0 366.780 4.111 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c(Cl)c1 ZINC000322164522 1099433392 /nfs/dbraw/zinc/43/33/92/1099433392.db2.gz MIJGYLHGHHTGQL-UHFFFAOYSA-N -1 0 360.744 4.031 20 30 FIEDRM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436936188 1099449874 /nfs/dbraw/zinc/44/98/74/1099449874.db2.gz YPWOEUJNLYIMJM-WMLDXEAASA-N -1 0 358.800 4.097 20 30 FIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cn(C)nc3C(C)C)n2)cc1 ZINC000516710848 1099728306 /nfs/dbraw/zinc/72/83/06/1099728306.db2.gz XEAOFXPGTNKAPX-HNNXBMFYSA-N -1 0 364.474 4.466 20 30 FIEDRM CCCOc1ccc(/C=C/c2nc(C(=O)[O-])ccc2C#N)cc1OCC ZINC000509695788 1100068845 /nfs/dbraw/zinc/06/88/45/1100068845.db2.gz OFNJNOAOZZGWGT-VMPITWQZSA-N -1 0 352.390 4.009 20 30 FIEDRM Cc1ccsc1C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000048519219 1100782075 /nfs/dbraw/zinc/78/20/75/1100782075.db2.gz WYXCUUGEBLECMR-UHFFFAOYSA-N -1 0 350.248 4.057 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2cccc(F)c2)cc1 ZINC000518093908 1100908065 /nfs/dbraw/zinc/90/80/65/1100908065.db2.gz XSAHBKANSHORIF-UHFFFAOYSA-N -1 0 368.389 4.290 20 30 FIEDRM CCc1ccc(-c2noc([C@H](C)/N=C\c3cc([N+](=O)[O-])ccc3[O-])n2)cc1 ZINC000760213079 1101759610 /nfs/dbraw/zinc/75/96/10/1101759610.db2.gz OAVVENTVPDGIDD-OEKFUPINSA-N -1 0 366.377 4.093 20 30 FIEDRM Cc1csc(SCc2ccc(C([O-])=C(C#N)c3ccncn3)cc2)n1 ZINC000760336302 1101920257 /nfs/dbraw/zinc/92/02/57/1101920257.db2.gz XUGBTEDUXHWPKJ-HNNXBMFYSA-N -1 0 366.471 4.024 20 30 FIEDRM CC(=NOCC(F)(F)F)c1ccc(Oc2ccc(C(=O)[O-])cc2)cc1 ZINC000760247380 1102025276 /nfs/dbraw/zinc/02/52/76/1102025276.db2.gz YCUUQOXBIQYATB-UHFFFAOYSA-N -1 0 353.296 4.480 20 30 FIEDRM CC(=NN=C(C)c1cnccn1)c1ccc(Oc2ccc(C(=O)[O-])cc2)cc1 ZINC000760249738 1102133975 /nfs/dbraw/zinc/13/39/75/1102133975.db2.gz RSJZPYASMZCUSY-UHFFFAOYSA-N -1 0 374.400 4.200 20 30 FIEDRM Cn1c2ccccc2nc1C(C#N)=C([O-])c1csc(-c2cccs2)n1 ZINC000122199392 1102544100 /nfs/dbraw/zinc/54/41/00/1102544100.db2.gz ROQGYDVRQUIORA-NSHDSACASA-N -1 0 364.455 4.248 20 30 FIEDRM Cc1ccc(-c2cc(C([O-])=C(C#N)c3nc4ccccc4o3)n[nH]2)c(C)c1 ZINC000188719726 1104750875 /nfs/dbraw/zinc/75/08/75/1104750875.db2.gz HPDBBWPDFQFQMF-HNNXBMFYSA-N -1 0 356.385 4.325 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cnc([C@@H]3CCCO3)s2)s1 ZINC000520484077 1104889924 /nfs/dbraw/zinc/88/99/24/1104889924.db2.gz JUDBRQIOYXROMM-QWRGUYRKSA-N -1 0 361.492 4.239 20 30 FIEDRM C=CCN(Cc1ccccc1F)C(=O)c1cccc(Br)c1[O-] ZINC000520716781 1105149614 /nfs/dbraw/zinc/14/96/14/1105149614.db2.gz BBYDIDTUERXGPA-UHFFFAOYSA-N -1 0 364.214 4.122 20 30 FIEDRM C=C[C@@H](CC(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1)c1ccccc1 ZINC000190798603 1105168767 /nfs/dbraw/zinc/16/87/67/1105168767.db2.gz ZEOGOHBWHBAHIP-INIZCTEOSA-N -1 0 373.399 4.128 20 30 FIEDRM N#Cc1ccc(Cc2cnc(NC(=O)c3ccc([O-])c(Cl)c3)s2)cc1 ZINC000121448111 1107797172 /nfs/dbraw/zinc/79/71/72/1107797172.db2.gz BXNXRKAAIRYVPD-UHFFFAOYSA-N -1 0 369.833 4.217 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nn1[C@@H](C)C1CC1 ZINC000531995437 1108526557 /nfs/dbraw/zinc/52/65/57/1108526557.db2.gz IBQDUFNNXJCHPM-SMDDNHRTSA-N -1 0 362.355 4.066 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)nn1C(C)C ZINC000453623899 1108667005 /nfs/dbraw/zinc/66/70/05/1108667005.db2.gz PKXXZUWFEVYIPF-OAHLLOKOSA-N -1 0 350.447 4.386 20 30 FIEDRM Cn1nc(-c2ccccc2)cc1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1 ZINC000453779832 1108735468 /nfs/dbraw/zinc/73/54/68/1108735468.db2.gz NLTXIHRORNYFSQ-AWEZNQCLSA-N -1 0 364.474 4.331 20 30 FIEDRM C[C@H](Sc1n[n-]c(=NCc2ccc(F)cc2)s1)c1ccc(C#N)cc1 ZINC000524025464 1108743665 /nfs/dbraw/zinc/74/36/65/1108743665.db2.gz LANWAURRFGPEJX-LBPRGKRZSA-N -1 0 370.478 4.436 20 30 FIEDRM C=CCN=c1[n-]nc(SCc2csc(-c3ccccc3F)n2)s1 ZINC000524185609 1108893962 /nfs/dbraw/zinc/89/39/62/1108893962.db2.gz QPWKKYUVWVXLHK-UHFFFAOYSA-N -1 0 364.496 4.113 20 30 FIEDRM Cc1cccc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)c1C#N ZINC000440830226 1108939797 /nfs/dbraw/zinc/93/97/97/1108939797.db2.gz GHPVGLAJQQLDPI-UHFFFAOYSA-N -1 0 368.380 4.162 20 30 FIEDRM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2cc(F)c([O-])c(Cl)c2)cc1 ZINC000446047169 1109087920 /nfs/dbraw/zinc/08/79/20/1109087920.db2.gz NXLYQEPWFUCUQX-MRXNPFEDSA-N -1 0 360.816 4.477 20 30 FIEDRM CCN(C(=O)c1cccc(Br)c1[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000525260240 1109322743 /nfs/dbraw/zinc/32/27/43/1109322743.db2.gz JASPSXZSHAXFPG-LBPRGKRZSA-N -1 0 373.250 4.250 20 30 FIEDRM C=CCCCCCN(C)C(=O)N=c1[n-]nc(Cc2ccc(C)cc2)s1 ZINC000525344999 1109348131 /nfs/dbraw/zinc/34/81/31/1109348131.db2.gz FBEDBFQPENJWQV-UHFFFAOYSA-N -1 0 358.511 4.069 20 30 FIEDRM CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000525368385 1109356725 /nfs/dbraw/zinc/35/67/25/1109356725.db2.gz MLNNUCXMSZQMMZ-UHFFFAOYSA-N -1 0 352.868 4.043 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)nn1C1CCCCC1 ZINC000538483808 1111163627 /nfs/dbraw/zinc/16/36/27/1111163627.db2.gz DGHFVHWAPBFAPC-INIZCTEOSA-N -1 0 361.449 4.074 20 30 FIEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1Oc1ccccc1Cl ZINC000462079486 1111490347 /nfs/dbraw/zinc/49/03/47/1111490347.db2.gz NGGSQGWAPAISDA-LBPRGKRZSA-N -1 0 350.827 4.176 20 30 FIEDRM Cc1oc(C2CC2)nc1C([O-])=C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000552277358 1111657302 /nfs/dbraw/zinc/65/73/02/1111657302.db2.gz SHJLYMKYDLCPKP-HNNXBMFYSA-N -1 0 374.425 4.346 20 30 FIEDRM Cc1onc(-c2cccnc2)c1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000552294005 1111662580 /nfs/dbraw/zinc/66/25/80/1111662580.db2.gz CDEDCSUTIXKOCJ-ZDUSSCGKSA-N -1 0 352.419 4.115 20 30 FIEDRM Cn1nc2ccccc2c1C([O-])=C(C#N)c1nc(-c2ccccc2)cs1 ZINC000478088802 1111679976 /nfs/dbraw/zinc/67/99/76/1111679976.db2.gz UFBLSSCZENLRFL-HNNXBMFYSA-N -1 0 358.426 4.187 20 30 FIEDRM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000554026557 1112165283 /nfs/dbraw/zinc/16/52/83/1112165283.db2.gz GAGWEWQPSUJBDX-QGZVFWFLSA-N -1 0 362.788 4.098 20 30 FIEDRM Cc1nc(COC(C)(C)C)oc1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000567477195 1112550761 /nfs/dbraw/zinc/55/07/61/1112550761.db2.gz HOGHZFXUTZPLNM-GFCCVEGCSA-N -1 0 361.467 4.368 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cc(C)n(-c3ccc(Cl)cc3)n2)n1 ZINC000480912314 1112665680 /nfs/dbraw/zinc/66/56/80/1112665680.db2.gz MHVICPHUVHCETJ-AWEZNQCLSA-N -1 0 356.838 4.089 20 30 FIEDRM O=C(CCc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000042233325 1112837914 /nfs/dbraw/zinc/83/79/14/1112837914.db2.gz AJMNAIOXHBQPCZ-UHFFFAOYSA-N -1 0 358.246 4.271 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cnc(-c3ccncc3)s2)s1 ZINC000555698273 1112969730 /nfs/dbraw/zinc/96/97/30/1112969730.db2.gz UAGUBKOIWPOGKW-LBPRGKRZSA-N -1 0 368.487 4.449 20 30 FIEDRM C=C(C)CN(C)C(=O)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC000482129636 1113184536 /nfs/dbraw/zinc/18/45/36/1113184536.db2.gz KFJNGXYLASUWAC-UHFFFAOYSA-N -1 0 374.655 4.186 20 30 FIEDRM CN(C(=O)C1CC1)c1ccccc1C(=O)[C@@H](C#N)c1nccc2ccccc21 ZINC000483208926 1113465553 /nfs/dbraw/zinc/46/55/53/1113465553.db2.gz BCPZDQHBCCDDHP-IBGZPJMESA-N -1 0 369.424 4.098 20 30 FIEDRM Cc1cc(Br)oc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000483233769 1113468512 /nfs/dbraw/zinc/46/85/12/1113468512.db2.gz LJWJLWRIXUXGKZ-ZDUSSCGKSA-N -1 0 355.191 4.389 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nccc3ccccc32)nn1-c1ccccc1 ZINC000483238714 1113469445 /nfs/dbraw/zinc/46/94/45/1113469445.db2.gz QTPCZXQDAKLGSP-IBGZPJMESA-N -1 0 352.397 4.219 20 30 FIEDRM Cc1cccc(N=c2[n-]nc(SCc3ccc(F)cc3C#N)s2)c1 ZINC000483244949 1113470520 /nfs/dbraw/zinc/47/05/20/1113470520.db2.gz WEJYYTYGEKAZEU-UHFFFAOYSA-N -1 0 356.451 4.315 20 30 FIEDRM Cc1nc(C(C)(C)C)sc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000488258938 1113891305 /nfs/dbraw/zinc/89/13/05/1113891305.db2.gz SUISMVCDCIYVFX-LBPRGKRZSA-N -1 0 352.463 4.126 20 30 FIEDRM O=C(/C=C\c1ccc(O)c(Br)c1)c1ccc(-n2cccn2)cc1 ZINC000912858847 1114231591 /nfs/dbraw/zinc/23/15/91/1114231591.db2.gz HCYSCRMHZGFDRL-WAPJZHGLSA-N -1 0 369.218 4.237 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2cnc3ccccc3n2)sc2nccc(C)c12 ZINC000490979846 1114358104 /nfs/dbraw/zinc/35/81/04/1114358104.db2.gz ZHICUIFQCPZTHG-ZDUSSCGKSA-N -1 0 358.426 4.346 20 30 FIEDRM CC(C)c1cc(C([O-])=C(C#N)c2nc3ccccc3o2)nn1C(C)(C)C ZINC000054736689 1114386607 /nfs/dbraw/zinc/38/66/07/1114386607.db2.gz QQWUJJWAFIUMFW-CYBMUJFWSA-N -1 0 350.422 4.393 20 30 FIEDRM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000055558710 1114495467 /nfs/dbraw/zinc/49/54/67/1114495467.db2.gz VVAPSDMYEIRRJI-UHFFFAOYSA-N -1 0 374.771 4.340 20 30 FIEDRM CCn1nc(C)cc1C([O-])=C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000587989046 1114507476 /nfs/dbraw/zinc/50/74/76/1114507476.db2.gz XNWARRCLWAKBQZ-LLVKDONJSA-N -1 0 372.400 4.103 20 30 FIEDRM Cc1nn(-c2ccccc2)cc1C([O-])=C(C#N)c1ccc2ccccc2n1 ZINC000588348528 1114576702 /nfs/dbraw/zinc/57/67/02/1114576702.db2.gz PMOAMQLTBWCNHU-SFHVURJKSA-N -1 0 352.397 4.219 20 30 FIEDRM N#C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cc(F)cc(F)c1 ZINC000129654814 1114634629 /nfs/dbraw/zinc/63/46/29/1114634629.db2.gz LYQSZMRFUJNKNV-LBPRGKRZSA-N -1 0 369.154 4.233 20 30 FIEDRM O=C([N-]S(=O)(=O)C1=Cc2ccccc2CC1)C1(c2ccc(F)cc2)CC1 ZINC000058041049 1115077221 /nfs/dbraw/zinc/07/72/21/1115077221.db2.gz DXAJFJYIDUMCHL-UHFFFAOYSA-N -1 0 371.433 4.131 20 30 FIEDRM COc1cccc(S(=O)(=O)[N-]C(=O)CCCCc2ccc(C)cc2)c1 ZINC000058187912 1115127142 /nfs/dbraw/zinc/12/71/42/1115127142.db2.gz HRIBHAKATCRKOK-UHFFFAOYSA-N -1 0 361.463 4.062 20 30 FIEDRM CSc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1[N+](=O)[O-] ZINC000592399917 1115223553 /nfs/dbraw/zinc/22/35/53/1115223553.db2.gz YIBISNJODLSMIG-LLVKDONJSA-N -1 0 359.432 4.141 20 30 FIEDRM Cc1nn(C(C)(C)C)c(C)c1C([O-])=C(C#N)c1nc2cc(F)ccc2s1 ZINC000592973341 1115272196 /nfs/dbraw/zinc/27/21/96/1115272196.db2.gz DFVUSZVJVGGTLT-CYBMUJFWSA-N -1 0 370.453 4.494 20 30 FIEDRM O=C(Cc1cccc2ccccc21)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000046928655 1115549439 /nfs/dbraw/zinc/54/94/39/1115549439.db2.gz QFUDMQIOUOTXSY-UHFFFAOYSA-N -1 0 365.863 4.443 20 30 FIEDRM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]C(=O)Cc1ccsc1 ZINC000046929159 1115549471 /nfs/dbraw/zinc/54/94/71/1115549471.db2.gz ADQNYQCFYFEDEZ-UHFFFAOYSA-N -1 0 351.493 4.242 20 30 FIEDRM C[C@@H](Oc1cccc(/C=C2\CCc3ccc(Cl)cc3C2=O)c1)C(=O)[O-] ZINC000761206762 1115625645 /nfs/dbraw/zinc/62/56/45/1115625645.db2.gz RPYFVXUNYFOIII-KMHUVPDISA-N -1 0 356.805 4.404 20 30 FIEDRM CCCCS(=O)(=O)[N-]C(=O)C[C@@H](C)c1ccccc1C(F)(F)F ZINC000076762110 1115670733 /nfs/dbraw/zinc/67/07/33/1115670733.db2.gz PYULRCMEIQVREW-LLVKDONJSA-N -1 0 351.390 4.285 20 30 FIEDRM Cc1c(Cl)cccc1N=c1[n-]nc(Sc2ccc(C#N)cn2)s1 ZINC000602372609 1115701644 /nfs/dbraw/zinc/70/16/44/1115701644.db2.gz MFZJNCZLJCKDOA-UHFFFAOYSA-N -1 0 359.867 4.083 20 30 FIEDRM CCCCOc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000603986993 1115837276 /nfs/dbraw/zinc/83/72/76/1115837276.db2.gz FTDNQWUWABPLLE-UHFFFAOYSA-N -1 0 364.854 4.191 20 30 FIEDRM COCc1c2ccccc2oc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1 ZINC000605363032 1115891326 /nfs/dbraw/zinc/89/13/26/1115891326.db2.gz DQHDFQPCSZJGHV-CQSZACIVSA-N -1 0 359.385 4.254 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1sc(C2CCCC2)nc1C ZINC000173942778 1116100958 /nfs/dbraw/zinc/10/09/58/1116100958.db2.gz JCZLLFMDYXCDQS-HNNXBMFYSA-N -1 0 361.511 4.128 20 30 FIEDRM CC[C@H](C)Oc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)ccn1 ZINC000539645194 1116357142 /nfs/dbraw/zinc/35/71/42/1116357142.db2.gz KQHCBFGERYUTOO-JSGCOSHPSA-N -1 0 351.431 4.359 20 30 FIEDRM CC[C@@H](C)Oc1cc(C([O-])=C(C#N)c2nc3ccccc3s2)ccn1 ZINC000539645195 1116357213 /nfs/dbraw/zinc/35/72/13/1116357213.db2.gz KQHCBFGERYUTOO-OCCSQVGLSA-N -1 0 351.431 4.359 20 30 FIEDRM C=CCOc1cccnc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000540380274 1118031083 /nfs/dbraw/zinc/03/10/83/1118031083.db2.gz NWULLWUYLMGSFK-LBPRGKRZSA-N -1 0 369.833 4.400 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc(OC3CCCC3)nc2)n1 ZINC000540998998 1118346188 /nfs/dbraw/zinc/34/61/88/1118346188.db2.gz ASGSJDVJBQDVFT-OAHLLOKOSA-N -1 0 355.463 4.473 20 30 FIEDRM N#CC(=C([O-])c1cc(-c2ccc(F)cc2)[nH]n1)c1cc(C(F)(F)F)ccn1 ZINC000464409838 1118546157 /nfs/dbraw/zinc/54/61/57/1118546157.db2.gz HUYQPPPIKUSLKX-ZDUSSCGKSA-N -1 0 374.297 4.120 20 30 FIEDRM N#CC(=C([O-])c1c[nH]nc1-c1ccsc1)c1cc(C(F)(F)F)ccn1 ZINC000464415522 1118548464 /nfs/dbraw/zinc/54/84/64/1118548464.db2.gz XSQKAQVESXMBQW-NSHDSACASA-N -1 0 362.336 4.042 20 30 FIEDRM CCCOc1nc(C)ccc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464417023 1118549814 /nfs/dbraw/zinc/54/98/14/1118549814.db2.gz ALQFMRYLMWKCBQ-CQSZACIVSA-N -1 0 363.339 4.083 20 30 FIEDRM Cc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000464421221 1118558046 /nfs/dbraw/zinc/55/80/46/1118558046.db2.gz LDDQZJJIEHZISC-OAHLLOKOSA-N -1 0 370.334 4.085 20 30 FIEDRM CCCCn1ncc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1CC ZINC000464479668 1118584379 /nfs/dbraw/zinc/58/43/79/1118584379.db2.gz XCCGNVCAQJABHY-ZDUSSCGKSA-N -1 0 364.371 4.149 20 30 FIEDRM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2cc(F)c(F)c([O-])c2F)cc1 ZINC000541695200 1118609082 /nfs/dbraw/zinc/60/90/82/1118609082.db2.gz ATYRQEBZPMLAJR-CQSZACIVSA-N -1 0 362.351 4.102 20 30 FIEDRM C[C@@H](Oc1cccc(C(=O)/C=C\c2ccc(Cl)nc2Cl)c1)C(=O)[O-] ZINC000761479188 1119168550 /nfs/dbraw/zinc/16/85/50/1119168550.db2.gz XVUONTJLHBCLDB-ONRRBMGISA-N -1 0 366.200 4.136 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc(OCC(F)(F)F)nc2)n1 ZINC000177757310 1119349329 /nfs/dbraw/zinc/34/93/29/1119349329.db2.gz MJXWVCZEVJCKMC-NSHDSACASA-N -1 0 369.368 4.093 20 30 FIEDRM COc1nc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc2ccccc21 ZINC000177779898 1119351089 /nfs/dbraw/zinc/35/10/89/1119351089.db2.gz ADDMHSNRMSFMHF-AWEZNQCLSA-N -1 0 351.431 4.313 20 30 FIEDRM O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cc(F)c(F)c([O-])c1F ZINC000183501198 1119576187 /nfs/dbraw/zinc/57/61/87/1119576187.db2.gz VEZPVDLFFBPPKD-UHFFFAOYSA-N -1 0 353.193 4.220 20 30 FIEDRM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1sc(C)nc1C ZINC000191567832 1119984422 /nfs/dbraw/zinc/98/44/22/1119984422.db2.gz FUMYDPSMAMDTHN-UHFFFAOYSA-N -1 0 350.509 4.413 20 30 FIEDRM O=C1CCc2cc(F)c(N=Cc3cc(Cl)cc(Cl)c3[O-])cc2N1 ZINC000914702415 1120479407 /nfs/dbraw/zinc/47/94/07/1120479407.db2.gz FNZQCYGYJXKNIN-UHFFFAOYSA-N -1 0 353.180 4.473 20 30 FIEDRM CC(=Cc1ccc(-c2cccc(F)c2)s1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000193613552 1120982263 /nfs/dbraw/zinc/98/22/63/1120982263.db2.gz INXSUWBCBLFVHO-DHZHZOJOSA-N -1 0 351.406 4.378 20 30 FIEDRM N#Cc1cccc(COc2cccc(C=NNc3cccc(C(=O)[O-])c3)c2)c1 ZINC000915935298 1121354235 /nfs/dbraw/zinc/35/42/35/1121354235.db2.gz BZMHVSMNXOUPAA-UHFFFAOYSA-N -1 0 371.396 4.281 20 30 FIEDRM O=C1OCCN1Cc1cccc(N=Cc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000915981790 1121362196 /nfs/dbraw/zinc/36/21/96/1121362196.db2.gz HKENTFYGSQBOBR-UHFFFAOYSA-N -1 0 365.216 4.402 20 30 FIEDRM COc1ccc(Cl)cc1C(=O)/C=C/c1ccc(OCCC(=O)[O-])cc1 ZINC000915987815 1121366784 /nfs/dbraw/zinc/36/67/84/1121366784.db2.gz KTSQUKFRPSHNMR-XBXARRHUSA-N -1 0 360.793 4.098 20 30 FIEDRM O=C([O-])c1ccc(-c2ccc(C(=O)/C=C\c3cccc4c3OCO4)cc2)o1 ZINC000915988611 1121368368 /nfs/dbraw/zinc/36/83/68/1121368368.db2.gz XJCJRHCUWYKVND-HJWRWDBZSA-N -1 0 362.337 4.270 20 30 FIEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2cc(Br)cs2)cc1 ZINC000915990894 1121368844 /nfs/dbraw/zinc/36/88/44/1121368844.db2.gz RGCVXQZLVCDPDS-AATRIKPKSA-N -1 0 351.221 4.034 20 30 FIEDRM CCCc1ccc(C(=O)/C=C/c2ccc(OCC(=O)[O-])c(OC)c2)cc1 ZINC000916133892 1121421974 /nfs/dbraw/zinc/42/19/74/1121421974.db2.gz RMWDIBZDDUCXAM-YRNVUSSQSA-N -1 0 354.402 4.007 20 30 FIEDRM O=C([O-])COc1cccc(C(=O)/C=C\c2ccc(-c3ccc(F)cc3)o2)c1 ZINC000916157726 1121430328 /nfs/dbraw/zinc/43/03/28/1121430328.db2.gz UBMXYHAEIGFYHL-NTMALXAHSA-N -1 0 366.344 4.445 20 30 FIEDRM Cc1nn(Cc2ccc(C)cc2)c(C)c1C=NNc1cccc(C(=O)[O-])c1 ZINC000916255378 1121453461 /nfs/dbraw/zinc/45/34/61/1121453461.db2.gz WKOSTKYCEYLNBL-UHFFFAOYSA-N -1 0 362.433 4.001 20 30 FIEDRM COc1ccc(CC(C)N=Nc2ccc(Cl)c(C(=O)[O-])c2)cc1OC ZINC000916259738 1121454374 /nfs/dbraw/zinc/45/43/74/1121454374.db2.gz GXNUGHZIFUFECO-UHFFFAOYSA-N -1 0 362.813 4.086 20 30 FIEDRM O=[N+]([O-])c1ccc([O-])c(C=NN(Cc2ccccc2)Cc2ccccc2)c1 ZINC000916368061 1121482099 /nfs/dbraw/zinc/48/20/99/1121482099.db2.gz VZIHKIXEPNMRJS-UHFFFAOYSA-N -1 0 361.401 4.337 20 30 FIEDRM COc1cc(/C=C/C(=O)c2ccc(SC)cc2)ccc1OCCC(=O)[O-] ZINC000763374989 1121515355 /nfs/dbraw/zinc/51/53/55/1121515355.db2.gz XFEHHQMPOGJLLY-YCRREMRBSA-N -1 0 372.442 4.167 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(OC2CCCC2)cc1 ZINC000916874727 1121905696 /nfs/dbraw/zinc/90/56/96/1121905696.db2.gz IUOGSACDRKLUNL-LJQANCHMSA-N -1 0 356.466 4.027 20 30 FIEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cc2c(s1)CCCCCC2 ZINC000916892407 1121911059 /nfs/dbraw/zinc/91/10/59/1121911059.db2.gz FFELXFKSQAHMQF-MRXNPFEDSA-N -1 0 358.507 4.178 20 30 FIEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cccc(Oc2ccccc2)c1 ZINC000916893002 1121911132 /nfs/dbraw/zinc/91/11/32/1121911132.db2.gz QEZKTXDMBUZNOB-HXUWFJFHSA-N -1 0 362.429 4.250 20 30 FIEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc2c(c1)-c1ccccc1C2 ZINC000916895405 1121924345 /nfs/dbraw/zinc/92/43/45/1121924345.db2.gz JFRKSKHCOBSEIC-OAQYLSRUSA-N -1 0 358.441 4.029 20 30 FIEDRM N#C[C@H](C(=O)c1cnc(-c2ccccc2)nc1)c1ccc2ccccc2n1 ZINC000624443410 1121989294 /nfs/dbraw/zinc/98/92/94/1121989294.db2.gz FGJSNQJMANTHPO-SFHVURJKSA-N -1 0 350.381 4.182 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(OCC(F)(F)F)o2)s1 ZINC000654991748 1121999740 /nfs/dbraw/zinc/99/97/40/1121999740.db2.gz FDJXRXONCDXMIL-SECBINFHSA-N -1 0 372.368 4.465 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)ccn1C(C)C ZINC000497368047 1122166821 /nfs/dbraw/zinc/16/68/21/1122166821.db2.gz VHKOTOCTYUFDTE-MRXNPFEDSA-N -1 0 350.447 4.386 20 30 FIEDRM N#CC(=C([O-])c1ccc(Br)c(F)c1)c1nc2ccccc2o1 ZINC000067799249 1122203192 /nfs/dbraw/zinc/20/31/92/1122203192.db2.gz GRGDPGUGJLSNBB-JTQLQIEISA-N -1 0 359.154 4.219 20 30 FIEDRM O=C([O-])c1csc(/C=C\C(=O)c2ccc(F)c(Br)c2)c1 ZINC000765828064 1122260888 /nfs/dbraw/zinc/26/08/88/1122260888.db2.gz ZRUDGERCSCXPTQ-RQOWECAXSA-N -1 0 355.184 4.244 20 30 FIEDRM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)ccc1Cl ZINC000498008138 1122520640 /nfs/dbraw/zinc/52/06/40/1122520640.db2.gz RFGYIGHBTQTDPK-UHFFFAOYSA-N -1 0 363.870 4.143 20 30 FIEDRM O=C1c2ccc(Cl)c(Cl)c2OC/C1=C\c1ccc([O-])c([N+](=O)[O-])c1 ZINC000920065986 1123326356 /nfs/dbraw/zinc/32/63/56/1123326356.db2.gz GWVYCEKBRPBJMK-WEVVVXLNSA-N -1 0 366.156 4.266 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)Cc1ccc2c(c1)CCCC2 ZINC000920102534 1123350005 /nfs/dbraw/zinc/35/00/05/1123350005.db2.gz UMBSMWBCJKFRKY-FQEVSTJZSA-N -1 0 370.452 4.489 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)COc1c(C)cc(C)cc1C ZINC000920101758 1123350316 /nfs/dbraw/zinc/35/03/16/1123350316.db2.gz HVBKLOSAHWPOSB-GOSISDBHSA-N -1 0 374.440 4.372 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCOc1ccc(C)cc1C ZINC000920105337 1123352095 /nfs/dbraw/zinc/35/20/95/1123352095.db2.gz BSIZRYMUITUWPY-SFHVURJKSA-N -1 0 374.440 4.454 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H]1Cc2ccccc2S1 ZINC000920106262 1123352210 /nfs/dbraw/zinc/35/22/10/1123352210.db2.gz LXUDFXMRIXHBBL-QAPCUYQASA-N -1 0 360.438 4.085 20 30 FIEDRM [O-]c1c(Br)cc(Br)cc1/C=N\Cc1ccco1 ZINC000920943607 1123540227 /nfs/dbraw/zinc/54/02/27/1123540227.db2.gz VHTBTSGCCUFPMV-UUASQNMZSA-N -1 0 359.017 4.129 20 30 FIEDRM CC(C)NC(=O)Nc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000080454302 1123966190 /nfs/dbraw/zinc/96/61/90/1123966190.db2.gz HDDBDSFVNOVHTG-HNNXBMFYSA-N -1 0 370.478 4.286 20 30 FIEDRM CC(C)NC(=O)Nc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000080454304 1123966401 /nfs/dbraw/zinc/96/64/01/1123966401.db2.gz HDDBDSFVNOVHTG-OAHLLOKOSA-N -1 0 370.478 4.286 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)nn1-c1ccc(C)cc1 ZINC000179916452 1124142061 /nfs/dbraw/zinc/14/20/61/1124142061.db2.gz PDZZVKLSUSZKOX-INIZCTEOSA-N -1 0 356.385 4.120 20 30 FIEDRM C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000108251905 1124270310 /nfs/dbraw/zinc/27/03/10/1124270310.db2.gz GWNPUQJTFYCVPS-GFCCVEGCSA-N -1 0 366.895 4.393 20 30 FIEDRM Cc1ccc(Nc2ccccc2[N-]S(=O)(=O)c2ccccc2C#N)cc1 ZINC000057735463 1124390093 /nfs/dbraw/zinc/39/00/93/1124390093.db2.gz CLTZNJCJPXLFKH-UHFFFAOYSA-N -1 0 363.442 4.411 20 30 FIEDRM N#CCCSc1ccccc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC000084920532 1124702839 /nfs/dbraw/zinc/70/28/39/1124702839.db2.gz IROYUIJVQYZPLN-UHFFFAOYSA-N -1 0 358.444 4.239 20 30 FIEDRM O=C([N-]S(=O)(=O)c1cccs1)C1(c2cccc(F)c2)CCCC1 ZINC000069524567 1124934100 /nfs/dbraw/zinc/93/41/00/1124934100.db2.gz FVFWCUBXJNUGMN-UHFFFAOYSA-N -1 0 353.440 4.044 20 30 FIEDRM O=C([N-]S(=O)(=O)c1ccccc1Cl)C1(c2ccc(Cl)cc2)CC1 ZINC000069600670 1125013345 /nfs/dbraw/zinc/01/33/45/1125013345.db2.gz YYLSCYVYCIQADK-UHFFFAOYSA-N -1 0 370.257 4.370 20 30 FIEDRM Cc1nc2c(cccc2C([O-])=C(C#N)c2nc3cc(F)ccc3s2)o1 ZINC000672583869 1125184947 /nfs/dbraw/zinc/18/49/47/1125184947.db2.gz DJFUOQGXVGXCHY-LBPRGKRZSA-N -1 0 351.362 4.375 20 30 FIEDRM CC(C)(C)c1ncc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)s1 ZINC000063235135 221142079 /nfs/dbraw/zinc/14/20/79/221142079.db2.gz JMGWZYPXSMDKIS-JTQLQIEISA-N -1 0 353.369 4.344 20 30 FIEDRM C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000601976309 567894042 /nfs/dbraw/zinc/89/40/42/567894042.db2.gz OVIQKGCSGWKVLX-JTQLQIEISA-N -1 0 372.418 4.270 20 30 FIEDRM N#C[C@@H](Cc1ccccc1)Sc1n[n-]c(=Nc2ccccc2F)s1 ZINC000603970436 568188255 /nfs/dbraw/zinc/18/82/55/568188255.db2.gz DVSJUWJSOFLAMO-CYBMUJFWSA-N -1 0 356.451 4.070 20 30 FIEDRM N#Cc1ccc(NS(=O)(=O)Cc2cccc(C(F)(F)F)c2)cc1Cl ZINC000481941344 568194485 /nfs/dbraw/zinc/19/44/85/568194485.db2.gz HNRHATDNNCSTCS-UHFFFAOYSA-N -1 0 374.771 4.172 20 30 FIEDRM CC(=O)c1ccc([O-])c(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c1 ZINC000436683427 568283872 /nfs/dbraw/zinc/28/38/72/568283872.db2.gz YMWGHLBDPUKONN-UHFFFAOYSA-N -1 0 371.396 4.462 20 30 FIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cnn4ccccc34)n2)cc1 ZINC000604929714 568397886 /nfs/dbraw/zinc/39/78/86/568397886.db2.gz PJOSONQCNGZVLH-OAHLLOKOSA-N -1 0 358.426 4.256 20 30 FIEDRM N#CC(=C([O-])c1csc(Nc2ccccn2)n1)c1ccc2ccccc2n1 ZINC000606146276 568672496 /nfs/dbraw/zinc/67/24/96/568672496.db2.gz MNUFWUGJTQVGKY-AWEZNQCLSA-N -1 0 371.425 4.320 20 30 FIEDRM C=C[C@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000431775485 939154344 /nfs/dbraw/zinc/15/43/44/939154344.db2.gz JGKPJIDIERPHQF-KZULUSFZSA-N -1 0 361.800 4.081 20 30 FIEDRM CC(C)(C)OC(=O)N[C@@](C)(C(=O)[O-])c1ccc(-c2cccc(C#N)c2)cc1 ZINC000863893186 939243598 /nfs/dbraw/zinc/24/35/98/939243598.db2.gz PVBKJGXMVZBJGU-OAQYLSRUSA-N -1 0 366.417 4.050 20 30 FIEDRM O=C([O-])c1ccc(-c2ccc(C=CC(=O)c3ccc4[nH]c(=O)[nH]c4c3)o2)cc1 ZINC001318292702 960915097 /nfs/dbraw/zinc/91/50/97/960915097.db2.gz WBNLUVUMPBOKAH-TWGQIWQCSA-N -1 0 374.352 4.123 20 30 FIEDRM N#CC(=C([O-])c1cncc2ccccc21)c1nc(-c2ccncc2)cs1 ZINC000543058699 1125569794 /nfs/dbraw/zinc/56/97/94/1125569794.db2.gz LAAZJDLBKRZOIZ-MRXNPFEDSA-N -1 0 356.410 4.243 20 30 FIEDRM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)cc1 ZINC000183130375 1125754760 /nfs/dbraw/zinc/75/47/60/1125754760.db2.gz SIGPKYUCHMBVOK-CABCVRRESA-N -1 0 358.463 4.292 20 30 FIEDRM Cc1nn(C(C)C)cc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000579729712 1079589350 /nfs/dbraw/zinc/58/93/50/1079589350.db2.gz IXQNZJJHMOJRIE-LBPRGKRZSA-N -1 0 357.364 4.007 20 30 FIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)c1 ZINC000187004330 1079868557 /nfs/dbraw/zinc/86/85/57/1079868557.db2.gz NUMQYTKMCQEKRL-UHFFFAOYSA-N -1 0 374.771 4.117 20 30 FIEDRM Cc1cccc(C)c1OCCC(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000048461266 1081296612 /nfs/dbraw/zinc/29/66/12/1081296612.db2.gz QYYXVTQIVAJHEO-UHFFFAOYSA-N -1 0 373.883 4.133 20 30 FIEDRM COc1cccc(C(C)=CC(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)c1 ZINC000255128710 1081368573 /nfs/dbraw/zinc/36/85/73/1081368573.db2.gz XNEBMNOLOQTLGA-RNUYOQPASA-N -1 0 372.424 4.480 20 30 FIEDRM CN(C)C(=O)Cc1ccc(N=Cc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000255131755 1081379915 /nfs/dbraw/zinc/37/99/15/1081379915.db2.gz UKNMHSIAYFSTTR-UHFFFAOYSA-N -1 0 351.233 4.080 20 30 FIEDRM CCOc1ccccc1CCC(=O)C(C#N)=C([O-])c1c(C)[nH]c2ccccc21 ZINC000121087914 1081410428 /nfs/dbraw/zinc/41/04/28/1081410428.db2.gz RMWWGJAAOUPHPJ-SFHVURJKSA-N -1 0 374.440 4.399 20 30 FIEDRM COc1cccc(C(=O)/C(=C\c2ccc([O-])c(Cl)c2)c2ncc[nH]2)c1 ZINC000255141442 1081456482 /nfs/dbraw/zinc/45/64/82/1081456482.db2.gz FIYRPRMBFPEEAL-OQLLNIDSSA-N -1 0 354.793 4.201 20 30 FIEDRM COc1cc(/C=C2\CCc3cc(SC)ccc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000748146504 1081571724 /nfs/dbraw/zinc/57/17/24/1081571724.db2.gz IYJBDSWKSAHDCX-NTUHNPAUSA-N -1 0 371.414 4.243 20 30 FIEDRM CSc1ccc2c(c1)CC/C(=C/c1ccc(OCCC(=O)[O-])cc1)C2=O ZINC000748149125 1081710724 /nfs/dbraw/zinc/71/07/24/1081710724.db2.gz ZAMBHNGVWOKGBJ-VBKFSLOCSA-N -1 0 368.454 4.475 20 30 FIEDRM COc1sc(/C=C\C(=O)c2ccc([O-])c(F)c2)cc1Br ZINC000255203029 1081923477 /nfs/dbraw/zinc/92/34/77/1081923477.db2.gz JELRDEAQSPAFPO-HYXAFXHYSA-N -1 0 357.200 4.260 20 30 FIEDRM CC(=O)Nc1cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)ccc1F ZINC000430579295 1082515270 /nfs/dbraw/zinc/51/52/70/1082515270.db2.gz CCAPVECYNVDHDS-GFCCVEGCSA-N -1 0 359.426 4.028 20 30 FIEDRM CCCn1ncc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1C1CC1 ZINC000430589881 1082533422 /nfs/dbraw/zinc/53/34/22/1082533422.db2.gz FYFOGULIWSODRU-ZDUSSCGKSA-N -1 0 356.495 4.415 20 30 FIEDRM Cc1nc(-c2ccccc2)c([N-]S(=O)(=O)c2ccc(C#N)cc2C)s1 ZINC000538008969 1082636311 /nfs/dbraw/zinc/63/63/11/1082636311.db2.gz KCLIZFUDHBYNFV-UHFFFAOYSA-N -1 0 369.471 4.099 20 30 FIEDRM CCc1noc(C)c1C([O-])=C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000051153288 1082782401 /nfs/dbraw/zinc/78/24/01/1082782401.db2.gz JXKXVKUIFUHGLX-AWEZNQCLSA-N -1 0 351.431 4.467 20 30 FIEDRM Cc1oc(-c2ccccc2F)nc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000121520562 1082992552 /nfs/dbraw/zinc/99/25/52/1082992552.db2.gz FGYHGJIPYULQLF-AWEZNQCLSA-N -1 0 374.375 4.166 20 30 FIEDRM N#CCc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)cc1 ZINC000158025885 1083303080 /nfs/dbraw/zinc/30/30/80/1083303080.db2.gz JLDUHMHXTPHFLH-UHFFFAOYSA-N -1 0 374.771 4.226 20 30 FIEDRM COc1cc(/C=C\C(=O)c2cc(C)cc(C)c2)ccc1OCCC(=O)[O-] ZINC000588460324 1083327538 /nfs/dbraw/zinc/32/75/38/1083327538.db2.gz INSWPTQYOWKBHO-XQRVVYSFSA-N -1 0 354.402 4.062 20 30 FIEDRM COc1ccc2cc(C([O-])=C(C#N)c3nc(C4CC4)cs3)c(C)nc2c1 ZINC000647378668 1083370207 /nfs/dbraw/zinc/37/02/07/1083370207.db2.gz PCJJBKHNOSHQQH-INIZCTEOSA-N -1 0 363.442 4.376 20 30 FIEDRM N#CC(=C([O-])c1cc(Br)cs1)c1nc(C2CC2)cs1 ZINC000647377285 1083372373 /nfs/dbraw/zinc/37/23/73/1083372373.db2.gz AQNDSEIEYSZPKR-SECBINFHSA-N -1 0 353.266 4.335 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccn(Cc3ccccc3)n2)n1 ZINC000548466943 1083388998 /nfs/dbraw/zinc/38/89/98/1083388998.db2.gz AZJYAKUZGLOLJD-OAHLLOKOSA-N -1 0 350.447 4.001 20 30 FIEDRM Cn1cc(/C=C\C(=O)c2ccc3ccccc3c2[O-])c(-c2ccncc2)n1 ZINC000255735696 1083457047 /nfs/dbraw/zinc/45/70/47/1083457047.db2.gz JALUDSGPVMKHMI-CLFYSBASSA-N -1 0 355.397 4.237 20 30 FIEDRM O=[N+]([O-])c1cc(Cl)cc(/C=N\[C@@H]2CCO[C@H](c3ccccc3)C2)c1[O-] ZINC000588467619 1083564660 /nfs/dbraw/zinc/56/46/60/1083564660.db2.gz YFVUWZSAJGYDNM-PTSZVCKJSA-N -1 0 360.797 4.293 20 30 FIEDRM N#Cc1cccc(S(=O)(=O)Nc2ccccc2NC2CCCCC2)c1 ZINC000535737970 1083611079 /nfs/dbraw/zinc/61/10/79/1083611079.db2.gz VSHXGLDNOYWOKX-UHFFFAOYSA-N -1 0 355.463 4.104 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(-c3ccco3)s2)n1 ZINC000610828565 1083744672 /nfs/dbraw/zinc/74/46/72/1083744672.db2.gz LHCWDLHBNOSUAS-SNVBAGLBSA-N -1 0 372.427 4.131 20 30 FIEDRM CCOc1c(Cl)cc(/C=C/C(=O)c2ccc([O-])c(F)c2)cc1OC ZINC000728438231 1084144179 /nfs/dbraw/zinc/14/41/79/1084144179.db2.gz CHGMJWUJMHPZHU-GQCTYLIASA-N -1 0 350.773 4.488 20 30 FIEDRM O=C(/C=C/c1cnn(Cc2ccccc2Cl)c1)c1ccc([O-])c(F)c1 ZINC000728438258 1084146851 /nfs/dbraw/zinc/14/68/51/1084146851.db2.gz CXGKKTSOOOXAKK-FNORWQNLSA-N -1 0 356.784 4.326 20 30 FIEDRM Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)c1ccc([O-])c(F)c1 ZINC000728438462 1084171625 /nfs/dbraw/zinc/17/16/25/1084171625.db2.gz FTKLEWSMRYAELA-CSKARUKUSA-N -1 0 354.356 4.369 20 30 FIEDRM Cc1ccc(N=Cc2cc(Cl)cc(Cl)c2[O-])cc1S(C)(=O)=O ZINC000255448806 1084225731 /nfs/dbraw/zinc/22/57/31/1084225731.db2.gz VSNQJBUMYSYWGT-UHFFFAOYSA-N -1 0 358.246 4.162 20 30 FIEDRM CCn1nc(C)c(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)c1C ZINC000589019616 1084238529 /nfs/dbraw/zinc/23/85/29/1084238529.db2.gz ZOVXISYYQLEANB-LBPRGKRZSA-N -1 0 358.854 4.273 20 30 FIEDRM N#CC(=C([O-])c1ncsc1C1CC1)c1nc2ccccc2n1C(F)F ZINC000892538864 1084610387 /nfs/dbraw/zinc/61/03/87/1084610387.db2.gz PMPCLOGKRHDRJG-JTQLQIEISA-N -1 0 358.373 4.255 20 30 FIEDRM N#CC(=C([O-])c1n[nH]c2c1CCCC2)c1nc2cc(Cl)ccc2s1 ZINC000120003832 1084790200 /nfs/dbraw/zinc/79/02/00/1084790200.db2.gz MHIWQFUWDNXBNP-NSHDSACASA-N -1 0 356.838 4.042 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccn(-c3c(F)cccc3F)n2)n1 ZINC000175211482 1084904869 /nfs/dbraw/zinc/90/48/69/1084904869.db2.gz KIUKQTGRLBGTLF-LLVKDONJSA-N -1 0 372.400 4.220 20 30 FIEDRM N#CC(=C([O-])c1cnc(CC2CC2)s1)c1nc(-c2ccncc2)cs1 ZINC000892608553 1085020980 /nfs/dbraw/zinc/02/09/80/1085020980.db2.gz GJORHGGDNKZQLK-CYBMUJFWSA-N -1 0 366.471 4.104 20 30 FIEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000186261383 1085055866 /nfs/dbraw/zinc/05/58/66/1085055866.db2.gz KYSRTEFAPFXTOY-VIFPVBQESA-N -1 0 366.364 4.456 20 30 FIEDRM Cc1nn(C(C)(C)C)c(C)c1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000643779386 1085225189 /nfs/dbraw/zinc/22/51/89/1085225189.db2.gz IPJNBLIXICESNL-ZDUSSCGKSA-N -1 0 364.371 4.159 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccccc2Oc2cnn(C)c2)n1 ZINC000549540611 1085501858 /nfs/dbraw/zinc/50/18/58/1085501858.db2.gz QIGGIQGLKBWJDK-HNNXBMFYSA-N -1 0 366.446 4.282 20 30 FIEDRM COc1cc(C)c(C(=O)/C=C\c2cccc(C(=O)[O-])c2Cl)cc1OC ZINC000588559375 1085946151 /nfs/dbraw/zinc/94/61/51/1085946151.db2.gz CXRXMSSIPKCIPK-FPLPWBNLSA-N -1 0 360.793 4.260 20 30 FIEDRM Cc1cc(C(C#N)=C([O-])c2csc(-c3cccc(Cl)c3)n2)nc(C)n1 ZINC000049406078 1086019918 /nfs/dbraw/zinc/01/99/18/1086019918.db2.gz LDEYCYLQCJKITM-AWEZNQCLSA-N -1 0 368.849 4.360 20 30 FIEDRM COc1cc(/C=C\C(=O)c2ccc(C(C)C)cc2)ccc1OCC(=O)[O-] ZINC000211203252 1086263923 /nfs/dbraw/zinc/26/39/23/1086263923.db2.gz VFUKDNZUEJANDJ-WMZJFQQLSA-N -1 0 354.402 4.178 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2coc(Br)c2)s1 ZINC000430609201 1086366140 /nfs/dbraw/zinc/36/61/40/1086366140.db2.gz HIGKUJOVDMEWFW-VIFPVBQESA-N -1 0 353.241 4.286 20 30 FIEDRM O=C([O-])COc1cccc(C(=O)/C=C\c2ccc(N3CCCCC3)cc2)c1 ZINC000219866250 1086617149 /nfs/dbraw/zinc/61/71/49/1086617149.db2.gz NCKRFPJQJVSTCA-XFXZXTDPSA-N -1 0 365.429 4.036 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cnccc2-c2ccccc2)c(Cl)c1 ZINC000432350736 1086648027 /nfs/dbraw/zinc/64/80/27/1086648027.db2.gz FDLCFXMSWVZVSF-UHFFFAOYSA-N -1 0 369.833 4.074 20 30 FIEDRM Cc1cc(C(=O)Nc2cc(C#N)ccc2[O-])cc(C)c1OCc1cccnc1 ZINC000176827275 1087286318 /nfs/dbraw/zinc/28/63/18/1087286318.db2.gz CNYAYRCTNXILNJ-UHFFFAOYSA-N -1 0 373.412 4.107 20 30 FIEDRM O=S(=O)(Nc1ccccc1F)c1cccc(N=Cc2ccccc2O)c1 ZINC000255909953 1087917714 /nfs/dbraw/zinc/91/77/14/1087917714.db2.gz VRMFFPLEXCQCRA-UHFFFAOYSA-N -1 0 370.405 4.083 20 30 FIEDRM CCCc1nc(C([O-])=C(C#N)c2nc(-c3ccc(OC)cc3)cs2)co1 ZINC000549081498 1088074304 /nfs/dbraw/zinc/07/43/04/1088074304.db2.gz XGSKMISCXQLGSR-CQSZACIVSA-N -1 0 367.430 4.249 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cc(-c3ccccc3)nc3onc(C)c32)n1 ZINC000122319555 1088988778 /nfs/dbraw/zinc/98/87/78/1088988778.db2.gz JFUQIDPAOOOKIM-OAHLLOKOSA-N -1 0 374.425 4.453 20 30 FIEDRM N#C[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1cccc(Cl)c1Cl ZINC000183590835 1089023779 /nfs/dbraw/zinc/02/37/79/1089023779.db2.gz VONWMMPGDLFKAQ-LBPRGKRZSA-N -1 0 355.608 4.347 20 30 FIEDRM CC(=Cc1ccc(Cl)c(C(F)(F)F)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435335563 1089540724 /nfs/dbraw/zinc/54/07/24/1089540724.db2.gz JALMXMKZCGMCNI-VMPITWQZSA-N -1 0 353.731 4.183 20 30 FIEDRM CC(=Cc1ccc(Oc2cccnc2)c(C)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435337613 1089542350 /nfs/dbraw/zinc/54/23/50/1089542350.db2.gz XCQZIUHKSZWRLN-GXDHUFHOSA-N -1 0 358.401 4.006 20 30 FIEDRM CC(=Cc1ccc(-c2ccccc2Cl)o1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435338611 1089543295 /nfs/dbraw/zinc/54/32/95/1089543295.db2.gz HHSOSRZDPMEUSG-LUAWRHEFSA-N -1 0 351.793 4.424 20 30 FIEDRM CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435484833 1089700212 /nfs/dbraw/zinc/70/02/12/1089700212.db2.gz YSGISUJULZTEEB-UHFFFAOYSA-N -1 0 364.492 4.126 20 30 FIEDRM Cc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C#N)s3)c2)o1 ZINC000435478109 1089709064 /nfs/dbraw/zinc/70/90/64/1089709064.db2.gz FERKJKYKYMEMKH-UHFFFAOYSA-N -1 0 358.444 4.297 20 30 FIEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1C(C)(C)C ZINC000460821662 1089982652 /nfs/dbraw/zinc/98/26/52/1089982652.db2.gz IWEQYGCATKRIDY-UHFFFAOYSA-N -1 0 358.463 4.055 20 30 FIEDRM Cc1cccc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1C#N ZINC000435902633 1089995549 /nfs/dbraw/zinc/99/55/49/1089995549.db2.gz NJAUTPHGWSJYOJ-UHFFFAOYSA-N -1 0 359.209 4.113 20 30 FIEDRM CCCc1nc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)co1 ZINC000549412512 1090278989 /nfs/dbraw/zinc/27/89/89/1090278989.db2.gz YVTCTFSEDIGZFJ-CQSZACIVSA-N -1 0 362.414 4.112 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(-c3ccccn3)nc2)s1 ZINC000651352844 1090280781 /nfs/dbraw/zinc/28/07/81/1090280781.db2.gz LBZLFSKCIBFRRA-AWEZNQCLSA-N -1 0 362.458 4.388 20 30 FIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cncnc3C3CC3)n2)cc1 ZINC000584821758 1090921135 /nfs/dbraw/zinc/92/11/35/1090921135.db2.gz TXMMHYPAQWQFGG-OAHLLOKOSA-N -1 0 360.442 4.276 20 30 FIEDRM N#CC(=C([O-])c1ccc(OC(F)(F)Cl)cc1)c1nc2ccccc2o1 ZINC000193820283 1091323371 /nfs/dbraw/zinc/32/33/71/1091323371.db2.gz KRRCREJAKXVWIH-LBPRGKRZSA-N -1 0 362.719 4.486 20 30 FIEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000511725703 1091564584 /nfs/dbraw/zinc/56/45/84/1091564584.db2.gz CVWFAQRPAXLVQN-UHFFFAOYSA-N -1 0 371.245 4.065 20 30 FIEDRM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000511726881 1091567317 /nfs/dbraw/zinc/56/73/17/1091567317.db2.gz LJABZOBBPWFKHU-UHFFFAOYSA-N -1 0 358.463 4.055 20 30 FIEDRM N#CCCSc1ccccc1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000126035917 1091837000 /nfs/dbraw/zinc/83/70/00/1091837000.db2.gz DMJBFLDLOLDPOM-UHFFFAOYSA-N -1 0 370.858 4.286 20 30 FIEDRM O=C(CC(F)(F)F)[N-][C@@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000182384249 1092230351 /nfs/dbraw/zinc/23/03/51/1092230351.db2.gz PQETYKYUFLZYKR-VIFPVBQESA-N -1 0 353.184 4.377 20 30 FIEDRM N#CC(=C([O-])c1cn2cc(Cl)cc(Cl)c2n1)c1nc2ccccc2o1 ZINC000442553048 1092676445 /nfs/dbraw/zinc/67/64/45/1092676445.db2.gz TUAJCXFFINIBCG-JTQLQIEISA-N -1 0 371.183 4.272 20 30 FIEDRM Cc1ccc(-c2csc(C(C#N)=C([O-])c3cnn(C)c3C3CC3)n2)cc1 ZINC000147164719 1092743810 /nfs/dbraw/zinc/74/38/10/1092743810.db2.gz DXNFRNINLDKBCC-OAHLLOKOSA-N -1 0 362.458 4.220 20 30 FIEDRM COc1ccccc1N=c1[n-]nc(S[C@H](C)c2cccc(C#N)c2)s1 ZINC000442899854 1092854125 /nfs/dbraw/zinc/85/41/25/1092854125.db2.gz OBWBGNDKMQQUJY-GFCCVEGCSA-N -1 0 368.487 4.437 20 30 FIEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(CCC(C)C)cc2)cc1C#N ZINC000521740787 1092905463 /nfs/dbraw/zinc/90/54/63/1092905463.db2.gz IEJCOMDJPJAOOX-UHFFFAOYSA-N -1 0 355.463 4.222 20 30 FIEDRM N#CC(=C([O-])c1ccc(C#N)o1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000429678708 1093207175 /nfs/dbraw/zinc/20/71/75/1093207175.db2.gz CIJKIAPTSCGAKJ-CYBMUJFWSA-N -1 0 353.790 4.418 20 30 FIEDRM N#CCCN(Cc1cccnc1)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000094062237 1093288375 /nfs/dbraw/zinc/28/83/75/1093288375.db2.gz OPUREVNXWKGEGM-UHFFFAOYSA-N -1 0 365.820 4.150 20 30 FIEDRM CCc1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)s1 ZINC000051899494 1093343825 /nfs/dbraw/zinc/34/38/25/1093343825.db2.gz OQYSIVRXWPFMAA-SNVBAGLBSA-N -1 0 360.389 4.249 20 30 FIEDRM N#CC(=C([O-])c1cc(-c2ccccc2)[nH]n1)c1nc(-c2ccncc2)cs1 ZINC000512958988 1093606697 /nfs/dbraw/zinc/60/66/97/1093606697.db2.gz RHYDJDZCRBAWLI-OAHLLOKOSA-N -1 0 371.425 4.085 20 30 FIEDRM N#CC(=C([O-])c1ccc(Br)o1)c1nc(-c2ccncc2)cs1 ZINC000114620072 1093660001 /nfs/dbraw/zinc/66/00/01/1093660001.db2.gz SMLVIICIWUDSLH-SNVBAGLBSA-N -1 0 374.219 4.051 20 30 FIEDRM Cn1cc(C([O-])=C(C#N)c2nc3ccccc3s2)c(-c2cccs2)n1 ZINC000509882026 1093684696 /nfs/dbraw/zinc/68/46/96/1093684696.db2.gz BRDRHPFCNPMGID-LLVKDONJSA-N -1 0 364.455 4.248 20 30 FIEDRM COc1ccc2oc(C(=O)/C=C\c3ccc(OCC(=O)[O-])cc3)c(C)c2c1 ZINC000729149410 1093934863 /nfs/dbraw/zinc/93/48/63/1093934863.db2.gz DXPSGTJDVWRTQX-UITAMQMPSA-N -1 0 366.369 4.109 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2sc(Cc3ccccc3)nc2C)n1 ZINC000041515283 1094639323 /nfs/dbraw/zinc/63/93/23/1094639323.db2.gz JHLPPEYGFNCYHJ-AWEZNQCLSA-N -1 0 353.472 4.297 20 30 FIEDRM N#Cc1ccc2ncc(/C=C(/CCC(=O)[O-])c3nc4ccccc4s3)n2c1 ZINC000522963973 1095920198 /nfs/dbraw/zinc/92/01/98/1095920198.db2.gz RRLSYSFDSZFXGX-ZROIWOOFSA-N -1 0 374.425 4.221 20 30 FIEDRM N#Cc1cc(NC(=O)c2ccc(Cl)cc2[O-])ccc1OCC(F)(F)F ZINC000436786659 1099320072 /nfs/dbraw/zinc/32/00/72/1099320072.db2.gz KDUDUJBALBNEFG-UHFFFAOYSA-N -1 0 370.714 4.111 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2csc3ccccc23)n1 ZINC000516350081 1099400741 /nfs/dbraw/zinc/40/07/41/1099400741.db2.gz DHCKDVRIDHTGFS-NSHDSACASA-N -1 0 356.428 4.025 20 30 FIEDRM CC[C@@H](C)n1ncc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c1C ZINC000516830990 1099839477 /nfs/dbraw/zinc/83/94/77/1099839477.db2.gz CMUFANZYCCDIDQ-DOMZBBRYSA-N -1 0 365.462 4.171 20 30 FIEDRM CC(C)c1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)nc1 ZINC000516942035 1099936305 /nfs/dbraw/zinc/93/63/05/1099936305.db2.gz WONKVMKGYVQTQQ-ZDUSSCGKSA-N -1 0 354.360 4.440 20 30 FIEDRM Cc1cc(-c2ncccc2[N-]S(=O)(=O)c2cc(C#N)ccc2C)cs1 ZINC000437677224 1100092057 /nfs/dbraw/zinc/09/20/57/1100092057.db2.gz CMNUYRVTNRPTOR-UHFFFAOYSA-N -1 0 369.471 4.099 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccccc2SC(C)C)n1 ZINC000517278191 1100243114 /nfs/dbraw/zinc/24/31/14/1100243114.db2.gz VLDFZIXXQFROSB-CYBMUJFWSA-N -1 0 374.487 4.310 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCc2ccc(Cl)cc2)cc1C ZINC000048473999 1100250229 /nfs/dbraw/zinc/25/02/29/1100250229.db2.gz OWTBIUYMGMUHHA-UHFFFAOYSA-N -1 0 351.855 4.235 20 30 FIEDRM Cc1cc(/C=C(\C(=O)C(=O)[O-])c2ccc3ccccc3n2)cc2cccnc12 ZINC000783697204 1101383556 /nfs/dbraw/zinc/38/35/56/1101383556.db2.gz PNXONAWJIAIDOV-AQTBWJFISA-N -1 0 368.392 4.286 20 30 FIEDRM C=CCOc1cccc(NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])c1 ZINC000439995368 1101962824 /nfs/dbraw/zinc/96/28/24/1101962824.db2.gz LBLUJNZUSGVDDW-ZDUSSCGKSA-N -1 0 357.431 4.069 20 30 FIEDRM N#Cc1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000506816113 1102186903 /nfs/dbraw/zinc/18/69/03/1102186903.db2.gz PKCPFSJFUIXPJL-UHFFFAOYSA-N -1 0 360.744 4.031 20 30 FIEDRM CC(C)(C(=O)[N-]S(=O)(=O)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000054428954 1102238808 /nfs/dbraw/zinc/23/88/08/1102238808.db2.gz BZASJLYDOAHEPL-UHFFFAOYSA-N -1 0 351.855 4.104 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2ccccc2NC(=O)c2ccsc2)n1 ZINC000048787664 1102437431 /nfs/dbraw/zinc/43/74/31/1102437431.db2.gz YGYIEZYYKBJTEZ-AWEZNQCLSA-N -1 0 367.455 4.255 20 30 FIEDRM CCOc1cccnc1C([O-])=C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000537665032 1102777911 /nfs/dbraw/zinc/77/79/11/1102777911.db2.gz HVBIBHMGLFMQDN-OAHLLOKOSA-N -1 0 363.442 4.402 20 30 FIEDRM Cc1ccc(-n2ncc(C#N)c2Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC001211958271 1102967201 /nfs/dbraw/zinc/96/72/01/1102967201.db2.gz INGNVSJYHCSSIR-UHFFFAOYSA-N -1 0 352.781 4.148 20 30 FIEDRM C=CCOc1ccc(CN[C@H](C(=O)[O-])c2c(F)cccc2F)cc1Cl ZINC000426757435 1102972143 /nfs/dbraw/zinc/97/21/43/1102972143.db2.gz OULMJMYCKICMOQ-KRWDZBQOSA-N -1 0 367.779 4.099 20 30 FIEDRM CCS[C@@H](C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1)C(C)C ZINC000067599766 1102992515 /nfs/dbraw/zinc/99/25/15/1102992515.db2.gz MPNDYSZSCYEYTR-MRXNPFEDSA-N -1 0 351.493 4.263 20 30 FIEDRM CCS[C@@H](C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(C)C ZINC000067600510 1102997851 /nfs/dbraw/zinc/99/78/51/1102997851.db2.gz ONCPOMLOESIOEE-LLVKDONJSA-N -1 0 370.323 4.416 20 30 FIEDRM Cc1cc(COc2ccc(/C=C\c3ccncc3C#N)cc2)oc1C(=O)[O-] ZINC000552000289 1103853203 /nfs/dbraw/zinc/85/32/03/1103853203.db2.gz IHCCBIOYTWCCCN-DJWKRKHSSA-N -1 0 360.369 4.302 20 30 FIEDRM C=CCC[C@@H](NC(=O)CC(C)(C)C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000441368216 1104312347 /nfs/dbraw/zinc/31/23/47/1104312347.db2.gz YYNNLGJFKUBQKO-CQSZACIVSA-N -1 0 357.372 4.330 20 30 FIEDRM COCc1ccc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)o1 ZINC000520429191 1104399320 /nfs/dbraw/zinc/39/93/20/1104399320.db2.gz JNFSHDYMHDCINB-NSHDSACASA-N -1 0 374.368 4.318 20 30 FIEDRM N#Cc1ccc(Oc2cccc([N-]S(=O)(=O)c3ccccc3F)c2)cc1 ZINC000520627644 1105065431 /nfs/dbraw/zinc/06/54/31/1105065431.db2.gz QLRDVKIZHWZRCX-UHFFFAOYSA-N -1 0 368.389 4.290 20 30 FIEDRM Cc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)c1C#N ZINC000508233955 1105370173 /nfs/dbraw/zinc/37/01/73/1105370173.db2.gz DVDKNKPCZSCEMB-UHFFFAOYSA-N -1 0 374.771 4.340 20 30 FIEDRM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000450996016 1106861918 /nfs/dbraw/zinc/86/19/18/1106861918.db2.gz UNRFEEUBJSMIDA-UHFFFAOYSA-N -1 0 362.882 4.332 20 30 FIEDRM CCCc1sc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc1CC ZINC000530947009 1107419137 /nfs/dbraw/zinc/41/91/37/1107419137.db2.gz QASSYNUIZMNVQR-CYBMUJFWSA-N -1 0 352.463 4.333 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)nn1[C@@H](C)C1CC1 ZINC000531995435 1108526210 /nfs/dbraw/zinc/52/62/10/1108526210.db2.gz IBQDUFNNXJCHPM-FZMZJTMJSA-N -1 0 362.355 4.066 20 30 FIEDRM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000016129074 1108910856 /nfs/dbraw/zinc/91/08/56/1108910856.db2.gz PKPSPAVNMDZRBH-UHFFFAOYSA-N -1 0 360.744 4.031 20 30 FIEDRM CCc1ocnc1C([O-])=C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000524808057 1109160779 /nfs/dbraw/zinc/16/07/79/1109160779.db2.gz VHWCVSXJASOSTJ-VIFPVBQESA-N -1 0 359.357 4.129 20 30 FIEDRM Cc1cccnc1C([O-])=C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000429725294 1109606927 /nfs/dbraw/zinc/60/69/27/1109606927.db2.gz OPDWPTUOVBOYEN-NSHDSACASA-N -1 0 355.369 4.282 20 30 FIEDRM Cc1ccccc1CN=c1[n-]nc(SCc2ccc(C#N)cc2)s1 ZINC000447954024 1109685913 /nfs/dbraw/zinc/68/59/13/1109685913.db2.gz MSBFSTYAKMTXGR-UHFFFAOYSA-N -1 0 352.488 4.045 20 30 FIEDRM Cc1oc(C(C)C)nc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000552227606 1111625510 /nfs/dbraw/zinc/62/55/10/1111625510.db2.gz PVYFBLQMPONEFU-NSHDSACASA-N -1 0 358.348 4.341 20 30 FIEDRM N#Cc1ccc(CSc2n[n-]c(=Nc3ccccc3F)s2)cc1F ZINC000478523236 1111802296 /nfs/dbraw/zinc/80/22/96/1111802296.db2.gz PHVCUENDXJGIGG-UHFFFAOYSA-N -1 0 360.414 4.146 20 30 FIEDRM CCOc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cc1Cl ZINC000479496250 1112046545 /nfs/dbraw/zinc/04/65/45/1112046545.db2.gz AZTWMVMFLCXLGK-UHFFFAOYSA-N -1 0 371.245 4.065 20 30 FIEDRM Cc1n[nH]cc1C([O-])=C(C#N)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000554007202 1112160156 /nfs/dbraw/zinc/16/01/56/1112160156.db2.gz VEWMGOANPKUNCT-NSOUWEPUSA-N -1 0 366.490 4.133 20 30 FIEDRM CC[C@H](C)n1nc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cc1C ZINC000480940044 1112688561 /nfs/dbraw/zinc/68/85/61/1112688561.db2.gz JJIPVOXLELARMJ-AAEUAGOBSA-N -1 0 371.391 4.397 20 30 FIEDRM O=C(Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000042233350 1112840719 /nfs/dbraw/zinc/84/07/19/1112840719.db2.gz HSEHIPQFPZUNST-UHFFFAOYSA-N -1 0 362.209 4.020 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCCc2c[nH]c3ccccc23)cc1 ZINC000042235369 1112861583 /nfs/dbraw/zinc/86/15/83/1112861583.db2.gz PMDKFCJEDLXAAO-UHFFFAOYSA-N -1 0 356.447 4.144 20 30 FIEDRM CSc1c(C([O-])=C(C#N)c2nc(-c3ccc(C)cc3)cs2)cnn1C ZINC000482561467 1113296295 /nfs/dbraw/zinc/29/62/95/1113296295.db2.gz RVWJANBJZJNWJK-CYBMUJFWSA-N -1 0 368.487 4.064 20 30 FIEDRM Cc1nn(-c2ccccc2)cc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000483195993 1113461981 /nfs/dbraw/zinc/46/19/81/1113461981.db2.gz JUJHPUMGJZAVCN-IBGZPJMESA-N -1 0 352.397 4.219 20 30 FIEDRM C=C[C@H](CC)CC(=O)N(Cc1ccoc1C(=O)[O-])[C@@H](C)c1ccccn1 ZINC000907813471 1113580449 /nfs/dbraw/zinc/58/04/49/1113580449.db2.gz XMYNXDBXXGPPRI-LSDHHAIUSA-N -1 0 356.422 4.065 20 30 FIEDRM C=C[C@H](CC)CC(=O)N(Cc1ccoc1C(=O)[O-])[C@H](C)c1ccccn1 ZINC000907813469 1113580684 /nfs/dbraw/zinc/58/06/84/1113580684.db2.gz XMYNXDBXXGPPRI-HUUCEWRRSA-N -1 0 356.422 4.065 20 30 FIEDRM C=C[C@H]1CCCCN1C(=O)N=c1[n-]nc([C@H](CC)c2ccccc2)s1 ZINC000488336290 1113910996 /nfs/dbraw/zinc/91/09/96/1113910996.db2.gz UJRUCIRCMWUNQF-JKSUJKDBSA-N -1 0 356.495 4.074 20 30 FIEDRM C=CCCCS(=O)(=O)[N-][C@H](c1cccc2ccccc21)C(F)(F)F ZINC000489620055 1114140230 /nfs/dbraw/zinc/14/02/30/1114140230.db2.gz BSQGXJFIRMUJQR-MRXNPFEDSA-N -1 0 357.397 4.329 20 30 FIEDRM COCC(=O)Nc1ccc(N=Cc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000912962636 1114264035 /nfs/dbraw/zinc/26/40/35/1114264035.db2.gz WMPNJNABPBOHOX-UHFFFAOYSA-N -1 0 353.205 4.035 20 30 FIEDRM N#CC(=C([O-])C=CSCc1ccco1)c1nc(-c2ccncc2)cs1 ZINC000151139806 1114302822 /nfs/dbraw/zinc/30/28/22/1114302822.db2.gz DMWMCTOGOQLAHU-BOSPYUDASA-N -1 0 367.455 4.421 20 30 FIEDRM N#CC(=C([O-])c1ccc(Oc2ccccc2)cn1)c1cnc2ccccc2n1 ZINC000571743536 1114502204 /nfs/dbraw/zinc/50/22/04/1114502204.db2.gz MMODEFMOFVPGAP-KRWDZBQOSA-N -1 0 366.380 4.307 20 30 FIEDRM N#CC(=C([O-])c1cscn1)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000590880718 1114990123 /nfs/dbraw/zinc/99/01/23/1114990123.db2.gz CPYLJUUDWCVAKZ-QMMMGPOBSA-N -1 0 353.350 4.262 20 30 FIEDRM Cc1ccccc1SCC(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000058033834 1115073746 /nfs/dbraw/zinc/07/37/46/1115073746.db2.gz AZXDUSYOXUSXTG-UHFFFAOYSA-N -1 0 373.499 4.361 20 30 FIEDRM Cc1ccc(CCC(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)cc1 ZINC000058037781 1115076569 /nfs/dbraw/zinc/07/65/69/1115076569.db2.gz AAZPIHNVYDWFEG-UHFFFAOYSA-N -1 0 355.459 4.201 20 30 FIEDRM O=C([N-]S(=O)(=O)C1=Cc2ccccc2CC1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000058037813 1115076674 /nfs/dbraw/zinc/07/66/74/1115076674.db2.gz CDPDUFNCWKHVTC-RBUKOAKNSA-N -1 0 371.433 4.203 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc(C(=O)OC(C)(C)C)cn2)n1 ZINC000592372584 1115219841 /nfs/dbraw/zinc/21/98/41/1115219841.db2.gz AEQRXEMUTAMSLM-ZDUSSCGKSA-N -1 0 371.462 4.107 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)nn1C(C)(C)C ZINC000592973165 1115272414 /nfs/dbraw/zinc/27/24/14/1115272414.db2.gz AETPKKFJRAFSOT-GFCCVEGCSA-N -1 0 356.426 4.185 20 30 FIEDRM CCc1noc2ncc(C([O-])=C(C#N)c3nc4cc(F)ccc4s3)cc12 ZINC000592974132 1115272785 /nfs/dbraw/zinc/27/27/85/1115272785.db2.gz OCFDSUMCNBUKQI-LBPRGKRZSA-N -1 0 366.377 4.024 20 30 FIEDRM C[C@@H](Sc1ccc(NCc2ccc(C3(C#N)CC3)cc2)cc1)C(=O)[O-] ZINC000594689864 1115475883 /nfs/dbraw/zinc/47/58/83/1115475883.db2.gz GWVYNFVUSPBCFK-CQSZACIVSA-N -1 0 352.459 4.419 20 30 FIEDRM Cc1ccccc1S(=O)(=O)[N-]C(=O)Cc1ccc(Cl)cc1Cl ZINC000046927948 1115549433 /nfs/dbraw/zinc/54/94/33/1115549433.db2.gz IIZQAAJPPSOZGG-UHFFFAOYSA-N -1 0 358.246 4.190 20 30 FIEDRM O=C([O-])Cc1ccc(C(=O)/C=C\c2cc(F)ccc2Br)cc1 ZINC000761197318 1115614876 /nfs/dbraw/zinc/61/48/76/1115614876.db2.gz CFPQLZQOSASWSH-YVMONPNESA-N -1 0 363.182 4.111 20 30 FIEDRM O=C([O-])CCOc1ccc(/C=C2\CCc3ccc(Cl)cc3C2=O)cc1 ZINC000761204546 1115623819 /nfs/dbraw/zinc/62/38/19/1115623819.db2.gz DKDNAPFCXZKJNT-RVDMUPIBSA-N -1 0 356.805 4.406 20 30 FIEDRM Cc1ccc(N=c2[n-]nc(Sc3ccc(C#N)cn3)s2)cc1Cl ZINC000602373508 1115701411 /nfs/dbraw/zinc/70/14/11/1115701411.db2.gz SSZVEDUQQJRYOX-UHFFFAOYSA-N -1 0 359.867 4.083 20 30 FIEDRM COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C#N)c2)c2ccccc12 ZINC000603974306 1115837528 /nfs/dbraw/zinc/83/75/28/1115837528.db2.gz LXGHZHVPBIKNGS-UHFFFAOYSA-N -1 0 372.833 4.174 20 30 FIEDRM N#CCCCC/N=C/c1cc(Br)cc(Br)c1[O-] ZINC000171417252 1115866744 /nfs/dbraw/zinc/86/67/44/1115866744.db2.gz MRDPKVMSTKFKIV-LZYBPNLTSA-N -1 0 360.049 4.030 20 30 FIEDRM Cc1nc(CC(C)C)sc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1 ZINC000605362816 1115891063 /nfs/dbraw/zinc/89/10/63/1115891063.db2.gz VNWNGQAZJVCOAK-ZDUSSCGKSA-N -1 0 352.463 4.325 20 30 FIEDRM CCO[C@@H](C)c1ncc(C([O-])=C(C#N)c2ccc3ccccc3n2)s1 ZINC000608552805 1116115192 /nfs/dbraw/zinc/11/51/92/1116115192.db2.gz PLYFMAMVBMNJPA-JSGCOSHPSA-N -1 0 351.431 4.279 20 30 FIEDRM CC(C)c1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(F)F)cc1 ZINC000609068961 1116227095 /nfs/dbraw/zinc/22/70/95/1116227095.db2.gz CFYLEGORUBSSRH-UHFFFAOYSA-N -1 0 366.389 4.084 20 30 FIEDRM Cc1nc(NC(=O)c2ccc(C#N)c([O-])c2)sc1Cc1ccccc1F ZINC000442722528 1116286478 /nfs/dbraw/zinc/28/64/78/1116286478.db2.gz PXAAXJJDJSCDNL-UHFFFAOYSA-N -1 0 367.405 4.011 20 30 FIEDRM Cc1nc(NC(=O)c2ccc(C#N)c([O-])c2)sc1Cc1ccc(F)cc1 ZINC000442741642 1116297442 /nfs/dbraw/zinc/29/74/42/1116297442.db2.gz VPTOIFTWVFGCLB-UHFFFAOYSA-N -1 0 367.405 4.011 20 30 FIEDRM CCCOc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1OCCC ZINC000442898297 1116329469 /nfs/dbraw/zinc/32/94/69/1116329469.db2.gz NZJFLUFNTCIBNQ-UHFFFAOYSA-N -1 0 354.406 4.094 20 30 FIEDRM COc1ccc(N(Cc2cccs2)C(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000442973279 1116336881 /nfs/dbraw/zinc/33/68/81/1116336881.db2.gz DNELFNLYKILYQK-UHFFFAOYSA-N -1 0 364.426 4.181 20 30 FIEDRM Cc1cc(S(=O)(=O)[N-]c2cccc(Oc3ccc(C#N)cc3)c2)c(C)o1 ZINC000539549558 1116342607 /nfs/dbraw/zinc/34/26/07/1116342607.db2.gz DEXKAKXYNXWQGX-UHFFFAOYSA-N -1 0 368.414 4.361 20 30 FIEDRM CC(C)(C)c1ncc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)s1 ZINC000464401422 1118551756 /nfs/dbraw/zinc/55/17/56/1118551756.db2.gz QQYAZFZFWYICHT-SNVBAGLBSA-N -1 0 353.369 4.344 20 30 FIEDRM Cc1ccccc1-n1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cn1 ZINC000464427779 1118561289 /nfs/dbraw/zinc/56/12/89/1118561289.db2.gz RHDGAJBSYRRGMK-OAHLLOKOSA-N -1 0 370.334 4.085 20 30 FIEDRM C[C@@H](Oc1cccc(C(=O)/C=C/c2ccc(Cl)nc2Cl)c1)C(=O)[O-] ZINC000761479186 1119168654 /nfs/dbraw/zinc/16/86/54/1119168654.db2.gz XVUONTJLHBCLDB-BREXMAIKSA-N -1 0 366.200 4.136 20 30 FIEDRM Cc1nc(C([O-])=C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c(C)s1 ZINC000178731626 1119405267 /nfs/dbraw/zinc/40/52/67/1119405267.db2.gz IVORPUNAWHCNLR-AWEZNQCLSA-N -1 0 364.455 4.245 20 30 FIEDRM COc1ccc(-c2nc(C)c(C([O-])=C(C#N)c3nc(C)cs3)s2)cc1 ZINC000642281906 1120092981 /nfs/dbraw/zinc/09/29/81/1120092981.db2.gz QTTHGLPDSJWUAI-CQSZACIVSA-N -1 0 369.471 4.382 20 30 FIEDRM Cc1cc(C)n(Cc2cccc(C([O-])=C(C#N)c3nc4ccccc4o3)c2)n1 ZINC000194583405 1120284259 /nfs/dbraw/zinc/28/42/59/1120284259.db2.gz IASBATZZGUEIAL-GOSISDBHSA-N -1 0 370.412 4.180 20 30 FIEDRM N#CC(=C([O-])c1ncsc1C(F)(F)F)c1nc2cc(F)ccc2s1 ZINC000670118711 1120367929 /nfs/dbraw/zinc/36/79/29/1120367929.db2.gz ALDYDZUOLROELM-SSDOTTSWSA-N -1 0 371.340 4.401 20 30 FIEDRM C[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccc(OC(F)(F)F)cc1 ZINC000914701789 1120478448 /nfs/dbraw/zinc/47/84/48/1120478448.db2.gz QDSHROATLYSFIH-ZHLXBYETSA-N -1 0 354.284 4.379 20 30 FIEDRM CCc1sc(C([O-])=C(C#N)c2nc(C)cs2)cc1Br ZINC000495207424 1120545329 /nfs/dbraw/zinc/54/53/29/1120545329.db2.gz XGNYVCLPAYURJJ-QMMMGPOBSA-N -1 0 355.282 4.328 20 30 FIEDRM CCCCOc1ccc(/C=C/C(=O)c2ccc(CC(=O)[O-])cc2)cc1OC ZINC000915105719 1120814941 /nfs/dbraw/zinc/81/49/41/1120814941.db2.gz BCWOSYXULDSBCB-YRNVUSSQSA-N -1 0 368.429 4.397 20 30 FIEDRM COc1cccc([C@@H](C)C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)c1 ZINC000193598010 1120977555 /nfs/dbraw/zinc/97/75/55/1120977555.db2.gz DMMYUKHNSYMXCU-ACJLOTCBSA-N -1 0 360.413 4.180 20 30 FIEDRM CC(=Cc1cc(Cl)cc(C(F)(F)F)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000193608359 1120981196 /nfs/dbraw/zinc/98/11/96/1120981196.db2.gz MJOVUNMTECUZHT-FPYGCLRLSA-N -1 0 353.731 4.183 20 30 FIEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000026547846 1121097773 /nfs/dbraw/zinc/09/77/73/1121097773.db2.gz SWPCNJPEZFZBCP-UHFFFAOYSA-N -1 0 352.818 4.081 20 30 FIEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000026547584 1121098219 /nfs/dbraw/zinc/09/82/19/1121098219.db2.gz JXIJSCHMCZLPEX-UHFFFAOYSA-N -1 0 352.818 4.081 20 30 FIEDRM COc1ccc2c(c1)C(=NNc1ccc(Cl)c(C(=O)[O-])c1)CCCO2 ZINC000763105469 1121118326 /nfs/dbraw/zinc/11/83/26/1121118326.db2.gz KHZJLTWTWNDOBB-UHFFFAOYSA-N -1 0 360.797 4.036 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)s1 ZINC000326289393 1121296914 /nfs/dbraw/zinc/29/69/14/1121296914.db2.gz ACJUDMAGZOXGFC-UHFFFAOYSA-N -1 0 354.456 4.011 20 30 FIEDRM O=C([O-])c1ccccc1NN=Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000915955677 1121353511 /nfs/dbraw/zinc/35/35/11/1121353511.db2.gz IISVHBWHIFKVJP-UHFFFAOYSA-N -1 0 374.322 4.035 20 30 FIEDRM COc1ccc(F)cc1[C@@H](C)/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000915981357 1121362286 /nfs/dbraw/zinc/36/22/86/1121362286.db2.gz QVTOWJGPOAEDLD-HURAESQDSA-N -1 0 352.749 4.282 20 30 FIEDRM O=C([O-])CCOc1ccc(/C=C2/CSc3ccc(F)cc3C2=O)cc1 ZINC000915985760 1121366162 /nfs/dbraw/zinc/36/61/62/1121366162.db2.gz PXQUYIWHIUETQE-LCYFTJDESA-N -1 0 358.390 4.051 20 30 FIEDRM Cc1sc([N-]S(=O)(=O)c2cccc(C#N)c2)nc1-c1ccc(C)cc1 ZINC000916098027 1121410116 /nfs/dbraw/zinc/41/01/16/1121410116.db2.gz ZVYGDNGHMCGGLN-UHFFFAOYSA-N -1 0 369.471 4.099 20 30 FIEDRM CC(=O)c1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cs1 ZINC000496353764 1121413597 /nfs/dbraw/zinc/41/35/97/1121413597.db2.gz AWGJYJBKPZPUHN-NSHDSACASA-N -1 0 359.357 4.186 20 30 FIEDRM COc1cc(/C=C/C(=O)c2cccc3ccccc32)ccc1OCC(=O)[O-] ZINC000916134844 1121428373 /nfs/dbraw/zinc/42/83/73/1121428373.db2.gz LEPTVSSCIBENPC-PKNBQFBNSA-N -1 0 362.381 4.208 20 30 FIEDRM CC(=NNc1ccc(Cl)c(Cl)c1)c1cccc(OCC(=O)[O-])c1 ZINC000916249837 1121457610 /nfs/dbraw/zinc/45/76/10/1121457610.db2.gz NTLSXUHVJSFZKR-UHFFFAOYSA-N -1 0 353.205 4.293 20 30 FIEDRM CCCCCCCOc1ccc(C(C)=NNc2nnc(C)c(=O)[n-]2)cc1 ZINC000916282279 1121462859 /nfs/dbraw/zinc/46/28/59/1121462859.db2.gz ABRXSLNULVXCAD-UHFFFAOYSA-N -1 0 357.458 4.071 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(-c2ccccc2F)o1 ZINC000916876288 1121906448 /nfs/dbraw/zinc/90/64/48/1121906448.db2.gz XAVJCSDMRRJRAN-HNNXBMFYSA-N -1 0 356.397 4.105 20 30 FIEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cc2c(s1)CCCCCC2 ZINC000916892406 1121911503 /nfs/dbraw/zinc/91/15/03/1121911503.db2.gz FFELXFKSQAHMQF-INIZCTEOSA-N -1 0 358.507 4.178 20 30 FIEDRM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cc(-c2ccccn2)no1 ZINC000073496702 1121998528 /nfs/dbraw/zinc/99/85/28/1121998528.db2.gz JVALILPOGKCMRC-ZDUSSCGKSA-N -1 0 364.430 4.383 20 30 FIEDRM CC(C)(C)[C@@H]1CCc2sc(C([O-])=C(C#N)C(=O)NC3CCCC3)cc2C1 ZINC000917040999 1122011963 /nfs/dbraw/zinc/01/19/63/1122011963.db2.gz DOTBWQXSSWEDCB-ZBFHGGJFSA-N -1 0 372.534 4.280 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccccc3OC)n2)cc1 ZINC000066544526 1122072872 /nfs/dbraw/zinc/07/28/72/1122072872.db2.gz LIHWPUUPTCGSQM-MRXNPFEDSA-N -1 0 364.426 4.317 20 30 FIEDRM O=S(=O)([N-]c1ccc(F)c(C(F)(F)F)c1)c1ccc(F)c(F)c1F ZINC000006505543 1122122352 /nfs/dbraw/zinc/12/23/52/1122122352.db2.gz DIAPXBSUGSRNOA-UHFFFAOYSA-N -1 0 373.249 4.063 20 30 FIEDRM Cn1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)c1C1CCC1 ZINC000497366479 1122145352 /nfs/dbraw/zinc/14/53/52/1122145352.db2.gz RLWYPAQAQOGUFT-MRXNPFEDSA-N -1 0 362.458 4.301 20 30 FIEDRM Cc1nn(-c2ccccc2)c(C)c1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000054734559 1122195378 /nfs/dbraw/zinc/19/53/78/1122195378.db2.gz ZMLDOIRHUCHLHH-MRXNPFEDSA-N -1 0 356.385 4.120 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c(C(F)(F)F)c1 ZINC000055547900 1122252247 /nfs/dbraw/zinc/25/22/47/1122252247.db2.gz RBNILASJIHIUSV-UHFFFAOYSA-N -1 0 360.744 4.031 20 30 FIEDRM COc1cc(C=NN[C@@H](C)c2ccc(C(C)C)cc2)cc([N+](=O)[O-])c1[O-] ZINC000917552064 1122358900 /nfs/dbraw/zinc/35/89/00/1122358900.db2.gz NNDIPKSBNYBDFV-ZDUSSCGKSA-N -1 0 357.410 4.117 20 30 FIEDRM N#CC(=C([O-])c1ccc(-c2ccc(C(F)(F)F)cc2)o1)c1ccncn1 ZINC000498677826 1122944656 /nfs/dbraw/zinc/94/46/56/1122944656.db2.gz JAJZIPVVMIVYLK-ZDUSSCGKSA-N -1 0 357.291 4.245 20 30 FIEDRM CCN(CC)c1ccc(/C=C2/CCc3oc(C(=O)[O-])c(C)c3C2=O)cc1 ZINC000920066334 1123326260 /nfs/dbraw/zinc/32/62/60/1123326260.db2.gz YDJIABYYUAJOSL-QINSGFPZSA-N -1 0 353.418 4.345 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)COc1cccc(Cl)c1 ZINC000920102595 1123351001 /nfs/dbraw/zinc/35/10/01/1123351001.db2.gz XDWUGEKWBORMCV-MRXNPFEDSA-N -1 0 366.804 4.100 20 30 FIEDRM Cc1nnc(-c2ccc(C([O-])=C(C#N)c3nc(C(C)C)cs3)cc2)o1 ZINC000544533471 1123531226 /nfs/dbraw/zinc/53/12/26/1123531226.db2.gz BUKHRNLKJSJMGJ-CQSZACIVSA-N -1 0 352.419 4.115 20 30 FIEDRM Cc1ccc(C([O-])=C(C#N)c2nc3cc(F)ccc3s2)cc1[N+](=O)[O-] ZINC000609321565 1123536688 /nfs/dbraw/zinc/53/66/88/1123536688.db2.gz GTJNEHDTACBCQM-LBPRGKRZSA-N -1 0 355.350 4.142 20 30 FIEDRM CC(C)C(=O)Nc1ccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000920942086 1123539847 /nfs/dbraw/zinc/53/98/47/1123539847.db2.gz KAEDQEKJWUONFY-UHFFFAOYSA-N -1 0 361.785 4.299 20 30 FIEDRM COc1ccc(C(=O)/C=C/c2cccc(OC(C)C)c2)cc1CC(=O)[O-] ZINC000921265678 1123607531 /nfs/dbraw/zinc/60/75/31/1123607531.db2.gz PFGUTCWKSJLVHB-VQHVLOKHSA-N -1 0 354.402 4.006 20 30 FIEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000921268603 1123608519 /nfs/dbraw/zinc/60/85/19/1123608519.db2.gz CDAZLZTXMDPXLD-BJMVGYQFSA-N -1 0 364.319 4.151 20 30 FIEDRM N#CCCSc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000609379650 1123697500 /nfs/dbraw/zinc/69/75/00/1123697500.db2.gz QCWWJUYEWSRDQG-UHFFFAOYSA-N -1 0 358.897 4.208 20 30 FIEDRM C=CCn1c(=O)c2ccc(C(=O)N[C@@H](CCC)CCCC)cc2[n-]c1=S ZINC000175000838 1123703277 /nfs/dbraw/zinc/70/32/77/1123703277.db2.gz BBOJSANJDVDFMJ-HNNXBMFYSA-N -1 0 373.522 4.334 20 30 FIEDRM N#CC1(c2ccc(Nc3cccc4cc(S(=O)(=O)[O-])ccc43)cc2)CC1 ZINC001212258369 1123712139 /nfs/dbraw/zinc/71/21/39/1123712139.db2.gz YDVPNAQKAOZDNB-UHFFFAOYSA-N -1 0 364.426 4.385 20 30 FIEDRM N#Cc1cccc(Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2)c1 ZINC000609428861 1123712287 /nfs/dbraw/zinc/71/22/87/1123712287.db2.gz ZOUPZOMQWPTFRX-UHFFFAOYSA-N -1 0 356.428 4.213 20 30 FIEDRM C[C@@H](Sc1n[n-]c(=NCCc2ccccc2)s1)c1ccc(C#N)cc1 ZINC000609813763 1123855803 /nfs/dbraw/zinc/85/58/03/1123855803.db2.gz OBQJNAZPGJZSOO-CQSZACIVSA-N -1 0 366.515 4.340 20 30 FIEDRM Cc1ccc(CCC(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000064697402 1123924306 /nfs/dbraw/zinc/92/43/06/1123924306.db2.gz QVVVOSVFZFVABK-UHFFFAOYSA-N -1 0 355.818 4.066 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2oc3ccc(F)cc3c2C)n1 ZINC000067896551 1123982985 /nfs/dbraw/zinc/98/29/85/1123982985.db2.gz WQNMOWPGZQKDDD-LBPRGKRZSA-N -1 0 372.377 4.004 20 30 FIEDRM O=C([N-]S(=O)(=O)C=Cc1ccccc1)C1(c2ccc(Cl)cc2)CC1 ZINC000069572090 1124991501 /nfs/dbraw/zinc/99/15/01/1124991501.db2.gz MYJXOPQONUURFR-RAXLEYEMSA-N -1 0 361.850 4.329 20 30 FIEDRM CC(C)Cn1cc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cn1 ZINC000181522528 1124993814 /nfs/dbraw/zinc/99/38/14/1124993814.db2.gz MIALQVBBNKQZBL-ZDUSSCGKSA-N -1 0 358.854 4.292 20 30 FIEDRM Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)cnc2C)ccc1C#N ZINC000618604733 1125218583 /nfs/dbraw/zinc/21/85/83/1125218583.db2.gz OXCLFWZCYVYJKD-UHFFFAOYSA-N -1 0 363.442 4.038 20 30 FIEDRM O=C(Cc1cccc(Cl)c1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000070035702 1125245055 /nfs/dbraw/zinc/24/50/55/1125245055.db2.gz IUEUBMQZOMSCFG-UHFFFAOYSA-N -1 0 362.209 4.020 20 30 FIEDRM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2SCC(F)(F)F)cc1 ZINC000022475027 220387483 /nfs/dbraw/zinc/38/74/83/220387483.db2.gz YUNUCWZYWGRPJY-UHFFFAOYSA-N -1 0 372.393 4.013 20 30 FIEDRM Cc1ccc(-c2cc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)n[nH]2)c(C)c1 ZINC000188649115 568045055 /nfs/dbraw/zinc/04/50/55/568045055.db2.gz WUFRXMUNZGGBLW-OAHLLOKOSA-N -1 0 355.401 4.060 20 30 FIEDRM N#C[C@H](C(=O)c1c[nH]nc1-c1ccc(Cl)s1)c1nc2ccccc2[nH]1 ZINC000188649310 568045105 /nfs/dbraw/zinc/04/51/05/568045105.db2.gz FCWMSOBJHPPHFH-SECBINFHSA-N -1 0 367.821 4.158 20 30 FIEDRM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)c(Cl)cc1F ZINC000481967573 568199515 /nfs/dbraw/zinc/19/95/15/568199515.db2.gz ZHPQIGQCDOJWPN-UHFFFAOYSA-N -1 0 359.209 4.113 20 30 FIEDRM C=C[C@@H](CC(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000431775484 939154229 /nfs/dbraw/zinc/15/42/29/939154229.db2.gz JGKPJIDIERPHQF-KPZWWZAWSA-N -1 0 361.800 4.081 20 30 FIEDRM C=C[C@@H](CC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000431775486 939154282 /nfs/dbraw/zinc/15/42/82/939154282.db2.gz JGKPJIDIERPHQF-SGTLLEGYSA-N -1 0 361.800 4.081 20 30 FIEDRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)c1C ZINC000183134258 1125759703 /nfs/dbraw/zinc/75/97/03/1125759703.db2.gz GTJMIUUQGNJIBO-AWEZNQCLSA-N -1 0 358.463 4.012 20 30 FIEDRM C=CCOc1ccc(C[NH2+][C@H](C(=O)[O-])c2cc(F)ccc2F)cc1Cl ZINC000683174184 1079810668 /nfs/dbraw/zinc/81/06/68/1079810668.db2.gz RADQNQMSDWPRRL-KRWDZBQOSA-N -1 0 367.779 4.099 20 30 FIEDRM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)c1 ZINC000187014485 1079877580 /nfs/dbraw/zinc/87/75/80/1079877580.db2.gz QJEFOUAZJMFZMW-UHFFFAOYSA-N -1 0 373.821 4.031 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])C=Cc2cc(Br)ccc2F)n1 ZINC000254973183 1080126382 /nfs/dbraw/zinc/12/63/82/1080126382.db2.gz GPFBBHPXHVHNOQ-BXETVTBUSA-N -1 0 365.227 4.243 20 30 FIEDRM Cc1ccc(NC(=O)C2CC2)cc1N=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000254980472 1080146532 /nfs/dbraw/zinc/14/65/32/1080146532.db2.gz ZLDZLVWABIMJOP-UHFFFAOYSA-N -1 0 373.796 4.361 20 30 FIEDRM C=CCCN(C)C(=O)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC000471357117 1081011799 /nfs/dbraw/zinc/01/17/99/1081011799.db2.gz MMTIPZPLRMARAF-UHFFFAOYSA-N -1 0 374.655 4.186 20 30 FIEDRM CC(C)n1ncc2cc(/C=C\C(=O)c3ccc([O-])c(F)c3)c(Cl)nc21 ZINC000255065864 1081063294 /nfs/dbraw/zinc/06/32/94/1081063294.db2.gz FSJJVJILSPZDJN-PLNGDYQASA-N -1 0 359.788 4.406 20 30 FIEDRM C=CCOc1ccc(C([O-])=C(C#N)C(=O)c2c(C)[nH]c3ccccc32)cc1 ZINC000121055466 1081302076 /nfs/dbraw/zinc/30/20/76/1081302076.db2.gz RGEARJIHWXQCNZ-GOSISDBHSA-N -1 0 358.397 4.247 20 30 FIEDRM COc1ncccc1C([O-])=C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000122291022 1081315237 /nfs/dbraw/zinc/31/52/37/1081315237.db2.gz UWAUXWTZEKXVPX-CQSZACIVSA-N -1 0 369.833 4.357 20 30 FIEDRM O=[N+]([O-])c1ccc(C=NN(Cc2ccccc2)Cc2ccccc2)cc1[O-] ZINC000748132610 1081471942 /nfs/dbraw/zinc/47/19/42/1081471942.db2.gz DPBASIVUZADGQF-UHFFFAOYSA-N -1 0 361.401 4.337 20 30 FIEDRM CCCCOc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)cc1OC ZINC000748146251 1081584920 /nfs/dbraw/zinc/58/49/20/1081584920.db2.gz GSOBIQPNJMCGCH-RMKNXTFCSA-N -1 0 371.389 4.384 20 30 FIEDRM O=C(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(Br)s1 ZINC000748149027 1081709972 /nfs/dbraw/zinc/70/99/72/1081709972.db2.gz SJQZGWMCLOQNCR-RQOWECAXSA-N -1 0 354.181 4.021 20 30 FIEDRM Cc1c(C([O-])=C(C#N)C(=O)NC2CCCCC2)oc2c1c(C)ccc2C ZINC000121270906 1082295118 /nfs/dbraw/zinc/29/51/18/1082295118.db2.gz BPQYTXFIMQGXMX-MRXNPFEDSA-N -1 0 352.434 4.129 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cncc(Br)c2)s1 ZINC000430608866 1082637177 /nfs/dbraw/zinc/63/71/77/1082637177.db2.gz FMYCAMDNXYQBNZ-LLVKDONJSA-N -1 0 364.268 4.088 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(Br)o2)s1 ZINC000430626888 1082748598 /nfs/dbraw/zinc/74/85/98/1082748598.db2.gz MNOQQGHMYOEMKO-MRVPVSSYSA-N -1 0 353.241 4.286 20 30 FIEDRM COc1ccc2cc(C(=O)/C=C\c3ccc(OCC(=O)[O-])cc3)ccc2c1 ZINC000211757324 1082762011 /nfs/dbraw/zinc/76/20/11/1082762011.db2.gz JGRKBXBUZYPMGC-WCIBSUBMSA-N -1 0 362.381 4.208 20 30 FIEDRM O=C([O-])CCCOc1ccc(C(=O)/C=C\c2cccc3cnccc23)cc1 ZINC000588423593 1082790702 /nfs/dbraw/zinc/79/07/02/1082790702.db2.gz YTVBYORIAFFPIZ-FLIBITNWSA-N -1 0 361.397 4.375 20 30 FIEDRM CCn1cc(CC(=O)[N-]S(=O)(=O)[C@H](C)c2ccccc2)c2ccccc21 ZINC000077880211 1082797640 /nfs/dbraw/zinc/79/76/40/1082797640.db2.gz SWBMMBKURBWZRJ-OAHLLOKOSA-N -1 0 370.474 4.251 20 30 FIEDRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCn1ccc2ccccc21 ZINC000077881179 1082797785 /nfs/dbraw/zinc/79/77/85/1082797785.db2.gz KGJBQDDMVOJLJL-OAHLLOKOSA-N -1 0 356.447 4.079 20 30 FIEDRM C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCc1c[nH]c2ccccc12 ZINC000077881656 1082798808 /nfs/dbraw/zinc/79/88/08/1082798808.db2.gz AOMYZQFRKNIZMF-CQSZACIVSA-N -1 0 356.447 4.148 20 30 FIEDRM N#CC(=C([O-])C=Cc1cncc(F)c1)c1nc2cc(Cl)ccc2s1 ZINC000255368105 1082829650 /nfs/dbraw/zinc/82/96/50/1082829650.db2.gz HJKFGIIHHSLJEI-MTMQSLQUSA-N -1 0 357.797 4.373 20 30 FIEDRM C=CCOc1cc(OC)ccc1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000155681301 1082866600 /nfs/dbraw/zinc/86/66/00/1082866600.db2.gz PZJQPMIHNDWGPS-HNNXBMFYSA-N -1 0 364.426 4.360 20 30 FIEDRM Cc1onc(-c2ccncc2)c1C([O-])=C(C#N)c1nc(C(C)C)cs1 ZINC000155810972 1082874889 /nfs/dbraw/zinc/87/48/89/1082874889.db2.gz PSDPORJASIDVFW-ZDUSSCGKSA-N -1 0 352.419 4.115 20 30 FIEDRM COc1cc(/C=C\C(=O)c2ccc(C)c(C)c2)ccc1OCCC(=O)[O-] ZINC000588429774 1082920127 /nfs/dbraw/zinc/92/01/27/1082920127.db2.gz WFUNVFGTPWVGAR-YVMONPNESA-N -1 0 354.402 4.062 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)c1c[nH]c(C(F)(F)F)c1 ZINC000796713503 1082976593 /nfs/dbraw/zinc/97/65/93/1082976593.db2.gz IQTBNHJTCUGKHZ-LBPRGKRZSA-N -1 0 359.307 4.029 20 30 FIEDRM Cc1oc(-c2ccccc2F)nc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000121520426 1082991455 /nfs/dbraw/zinc/99/14/55/1082991455.db2.gz FGYHGJIPYULQLF-CQSZACIVSA-N -1 0 374.375 4.166 20 30 FIEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000431181320 1083394763 /nfs/dbraw/zinc/39/47/63/1083394763.db2.gz JQEDGUTXKLUHFW-UHFFFAOYSA-N -1 0 356.834 4.474 20 30 FIEDRM N#CC(=C([O-])C=Cc1ccc(Cl)nc1)c1nc(-c2ccncc2)cs1 ZINC000179808246 1083650443 /nfs/dbraw/zinc/65/04/43/1083650443.db2.gz HXHCACMRUGFKFO-YOUVMVQBSA-N -1 0 366.833 4.143 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2ccc(COCc3ccccc3)cc2)cc1[O-] ZINC000188535192 1083794307 /nfs/dbraw/zinc/79/43/07/1083794307.db2.gz UZRVHJPFPRFRAP-UHFFFAOYSA-N -1 0 358.397 4.233 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cn3)cc2)cc1[O-] ZINC000188579164 1083874034 /nfs/dbraw/zinc/87/40/34/1083874034.db2.gz CLRDIUOYSMITHR-UHFFFAOYSA-N -1 0 365.776 4.357 20 30 FIEDRM Cc1c(Cl)cccc1N=c1[n-]nc(SCc2ccnc(C#N)c2)s1 ZINC000610955392 1083879854 /nfs/dbraw/zinc/87/98/54/1083879854.db2.gz IVYNDVFNJKAJKL-UHFFFAOYSA-N -1 0 373.894 4.224 20 30 FIEDRM COC(C)(C)c1nc(C)c(C([O-])=C(C#N)c2ccc3ccccc3n2)s1 ZINC000685783299 1083903749 /nfs/dbraw/zinc/90/37/49/1083903749.db2.gz JGJCCNLHJCIRRY-AWEZNQCLSA-N -1 0 365.458 4.371 20 30 FIEDRM Cc1ccc(CC(=O)[N-]S(=O)(=O)c2cc(Cl)sc2Cl)s1 ZINC000066004307 1083946033 /nfs/dbraw/zinc/94/60/33/1083946033.db2.gz FURSVKCWLWKEPW-UHFFFAOYSA-N -1 0 370.304 4.313 20 30 FIEDRM CCS(=O)(=O)Nc1ccc(N=Cc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000255430276 1083992588 /nfs/dbraw/zinc/99/25/88/1083992588.db2.gz JGFVIKLJESTDRW-UHFFFAOYSA-N -1 0 373.261 4.211 20 30 FIEDRM Cc1c(COc2ccccc2)cccc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188607267 1084268446 /nfs/dbraw/zinc/26/84/46/1084268446.db2.gz BYILCWJJMLICRS-UHFFFAOYSA-N -1 0 358.397 4.404 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2c(Cl)n(C)nc2C(C)C)n1 ZINC000177774955 1084317689 /nfs/dbraw/zinc/31/76/89/1084317689.db2.gz NNIUDXQUZZYTTF-JTQLQIEISA-N -1 0 350.875 4.267 20 30 FIEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000263508978 1084590542 /nfs/dbraw/zinc/59/05/42/1084590542.db2.gz WUWMBEXHCTWALP-UHFFFAOYSA-N -1 0 367.405 4.007 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])C=Cc3ccco3)n2)cc1 ZINC000066544161 1084639269 /nfs/dbraw/zinc/63/92/69/1084639269.db2.gz ONWRTQBAUFFRHZ-ROJDOSBLSA-N -1 0 350.399 4.301 20 30 FIEDRM N#CC(=C([O-])c1cc(-c2ccoc2)[nH]n1)c1nc2cc(Cl)ccc2s1 ZINC000613407302 1084697987 /nfs/dbraw/zinc/69/79/87/1084697987.db2.gz PUSWIFFRNWIUEL-NSHDSACASA-N -1 0 368.805 4.423 20 30 FIEDRM CCCc1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)s1 ZINC000174000490 1084712202 /nfs/dbraw/zinc/71/22/02/1084712202.db2.gz LLXNNJAKSDXFGE-SNVBAGLBSA-N -1 0 360.389 4.330 20 30 FIEDRM CCc1ccc(-c2ccc(C([O-])=C(C#N)c3nnc4n3CCCCC4)o2)cc1 ZINC000174010453 1084720479 /nfs/dbraw/zinc/72/04/79/1084720479.db2.gz USOQKDYHZBXLLF-QGZVFWFLSA-N -1 0 374.444 4.317 20 30 FIEDRM CC(C)n1cc(Br)cc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000174014115 1084720832 /nfs/dbraw/zinc/72/08/32/1084720832.db2.gz DQKSYXDPUMOEIA-GFCCVEGCSA-N -1 0 372.222 4.463 20 30 FIEDRM COC(=O)c1cccc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)c1 ZINC000120035280 1084834621 /nfs/dbraw/zinc/83/46/21/1084834621.db2.gz XKTLACBPIMNVFX-CYBMUJFWSA-N -1 0 370.817 4.226 20 30 FIEDRM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2c(F)cccc2Cl)cc1 ZINC000125450471 1085553791 /nfs/dbraw/zinc/55/37/91/1085553791.db2.gz MRYFFUHRCXJIAB-UHFFFAOYSA-N -1 0 352.818 4.081 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2cnn(-c3ccc(F)cc3)c2)s1 ZINC000647264670 1085856305 /nfs/dbraw/zinc/85/63/05/1085856305.db2.gz LPYOEHCCHWIFSE-HNNXBMFYSA-N -1 0 368.437 4.255 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc(SC(F)F)cc1 ZINC000125659246 1086111793 /nfs/dbraw/zinc/11/17/93/1086111793.db2.gz QMGIWZZQINJGKF-AWEZNQCLSA-N -1 0 354.422 4.020 20 30 FIEDRM N#CC(=C([O-])c1cncc(C(F)(F)F)c1)c1nc2cc(F)ccc2s1 ZINC000685146086 1086742720 /nfs/dbraw/zinc/74/27/20/1086742720.db2.gz JCQAINQIVCHPBQ-LLVKDONJSA-N -1 0 365.311 4.339 20 30 FIEDRM Cc1ccc(Nc2c(C#N)cnn2-c2cccc(Cl)c2)cc1C(=O)[O-] ZINC001211596910 1086953461 /nfs/dbraw/zinc/95/34/61/1086953461.db2.gz PDWYZMDJSOVREP-UHFFFAOYSA-N -1 0 352.781 4.148 20 30 FIEDRM Cc1onc(C2CC2)c1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000583794761 1086965108 /nfs/dbraw/zinc/96/51/08/1086965108.db2.gz VQNAXMIJXXUIKI-LLVKDONJSA-N -1 0 356.332 4.095 20 30 FIEDRM Cc1cccc(OCCCCC(=O)[N-]S(=O)(=O)c2ccccc2C)c1 ZINC000065763291 1087746749 /nfs/dbraw/zinc/74/67/49/1087746749.db2.gz MJCCRXSTSBAEIB-UHFFFAOYSA-N -1 0 361.463 4.198 20 30 FIEDRM N#CC(=C([O-])c1csc(N2CCCCC2)n1)c1nc2ccccc2s1 ZINC000892423157 1087748491 /nfs/dbraw/zinc/74/84/91/1087748491.db2.gz CDQLMGUESZAZRX-GFCCVEGCSA-N -1 0 368.487 4.233 20 30 FIEDRM CC(C)c1noc2ncc(C([O-])=C(C#N)c3nc(C4CC4)cs3)cc21 ZINC000647373661 1087790678 /nfs/dbraw/zinc/79/06/78/1087790678.db2.gz MGOPHFAGTCWYJR-ZDUSSCGKSA-N -1 0 352.419 4.170 20 30 FIEDRM COc1cccc(C([O-])=C(C#N)c2nc3ccccc3o2)c1OC(C)C ZINC000659056700 1087983008 /nfs/dbraw/zinc/98/30/08/1087983008.db2.gz RITRNXCPQINSFM-CQSZACIVSA-N -1 0 350.374 4.114 20 30 FIEDRM N#CC(=C([O-])c1coc(C2CCCC2)n1)c1nc(-c2ccncc2)cs1 ZINC000549081494 1088073593 /nfs/dbraw/zinc/07/35/93/1088073593.db2.gz WXLSRIDTXAVSRX-CQSZACIVSA-N -1 0 364.430 4.341 20 30 FIEDRM Cc1nc(NC(=O)c2c([O-])cc(Cl)cc2Cl)sc1SCC#N ZINC000177073575 1088200799 /nfs/dbraw/zinc/20/07/99/1088200799.db2.gz MLCUOPATRDFJNK-UHFFFAOYSA-N -1 0 374.274 4.332 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)sc2nccn12 ZINC000505427278 1088710471 /nfs/dbraw/zinc/71/04/71/1088710471.db2.gz FXHNPJYHYGTMGZ-CYBMUJFWSA-N -1 0 364.455 4.318 20 30 FIEDRM Cc1c(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)sc2nccn12 ZINC000505427279 1088711511 /nfs/dbraw/zinc/71/15/11/1088711511.db2.gz FXHNPJYHYGTMGZ-ZDUSSCGKSA-N -1 0 364.455 4.318 20 30 FIEDRM N#CC1(C(=O)Nc2cc(Br)cc(Cl)c2[O-])CCCCC1 ZINC000408022580 1088859482 /nfs/dbraw/zinc/85/94/82/1088859482.db2.gz NVCFQKCEKFQWAV-UHFFFAOYSA-N -1 0 357.635 4.221 20 30 FIEDRM C=CCC[C@H](NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000434931284 1089148499 /nfs/dbraw/zinc/14/84/99/1089148499.db2.gz NAPUKXAANXGYFB-UGKGYDQZSA-N -1 0 351.446 4.243 20 30 FIEDRM CC(=Cc1ccc(Oc2cccc(F)c2)cc1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435337401 1089542042 /nfs/dbraw/zinc/54/20/42/1089542042.db2.gz VRPQJMSJRIJSCL-JLHYYAGUSA-N -1 0 361.376 4.442 20 30 FIEDRM CC(=Cc1cccc(OCC2CCCCC2)c1)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435340863 1089548239 /nfs/dbraw/zinc/54/82/39/1089548239.db2.gz OECHANBCCRMHJU-PTNGSMBKSA-N -1 0 363.461 4.470 20 30 FIEDRM COc1cc(Cl)ccc1C(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cn1 ZINC000119535271 1089666437 /nfs/dbraw/zinc/66/64/37/1089666437.db2.gz QQBKPUJROYQACT-LBPRGKRZSA-N -1 0 354.715 4.252 20 30 FIEDRM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435487728 1089702473 /nfs/dbraw/zinc/70/24/73/1089702473.db2.gz UVKALCFBYZRRTN-UHFFFAOYSA-N -1 0 359.209 4.113 20 30 FIEDRM Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C([O-])=C(C#N)c1ccncn1 ZINC000435768664 1089926879 /nfs/dbraw/zinc/92/68/79/1089926879.db2.gz RKNBDRGSWUVBRV-NSHDSACASA-N -1 0 373.199 4.237 20 30 FIEDRM CCc1c(C([O-])=C(C#N)c2nc3ccccc3o2)cnn1-c1ccc(F)cc1 ZINC000041539824 1090239844 /nfs/dbraw/zinc/23/98/44/1090239844.db2.gz CLDJLPVPODFIBH-OAHLLOKOSA-N -1 0 374.375 4.205 20 30 FIEDRM C=CCc1cc(CNc2ccc(C(C)(C)C(=O)[O-])cc2)cc(OC)c1O ZINC000417623789 1090942719 /nfs/dbraw/zinc/94/27/19/1090942719.db2.gz JIWQBTDAEFWPTQ-UHFFFAOYSA-N -1 0 355.434 4.104 20 30 FIEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cc(Cl)cc(C(F)(F)F)c1 ZINC000123840132 1091235886 /nfs/dbraw/zinc/23/58/86/1091235886.db2.gz SUDWIRUVPFODSV-CQSZACIVSA-N -1 0 372.774 4.130 20 30 FIEDRM Cc1ccc(-c2cc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)n[nH]2)cc1C ZINC000187235417 1091852967 /nfs/dbraw/zinc/85/29/67/1091852967.db2.gz GYNRVDQATZLELQ-HNNXBMFYSA-N -1 0 355.401 4.060 20 30 FIEDRM Cc1ccc(-c2cc(C([O-])=C(C#N)c3nc4ccccc4n3C)n[nH]2)cc1C ZINC000187234983 1091858535 /nfs/dbraw/zinc/85/85/35/1091858535.db2.gz YNJIPELVOBSDLI-MRXNPFEDSA-N -1 0 369.428 4.070 20 30 FIEDRM C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000520826348 1092285496 /nfs/dbraw/zinc/28/54/96/1092285496.db2.gz OPXWNKWODMFOJF-CYBMUJFWSA-N -1 0 363.442 4.032 20 30 FIEDRM N#CCCCCS(=O)(=O)[N-][C@H](c1cccc2ccccc21)C(F)(F)F ZINC000512440523 1092350198 /nfs/dbraw/zinc/35/01/98/1092350198.db2.gz GFQQLGCZJDHMDT-MRXNPFEDSA-N -1 0 370.396 4.056 20 30 FIEDRM CCO[C@@H](C)c1ncc(C([O-])=C(C#N)c2nc3ccccc3s2)s1 ZINC000442622034 1092702978 /nfs/dbraw/zinc/70/29/78/1092702978.db2.gz VLYMVPDRNXIIMG-QWRGUYRKSA-N -1 0 357.460 4.340 20 30 FIEDRM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccc2ccoc2c1 ZINC000442857071 1092828971 /nfs/dbraw/zinc/82/89/71/1092828971.db2.gz ZVUSBOHWFRFTKI-UHFFFAOYSA-N -1 0 366.320 4.124 20 30 FIEDRM N#Cc1ccc(C(=O)Nc2cccc(COc3cccc(F)c3)c2)cc1[O-] ZINC000442855656 1092829144 /nfs/dbraw/zinc/82/91/44/1092829144.db2.gz KDXIPZJHVGJWMJ-UHFFFAOYSA-N -1 0 362.360 4.234 20 30 FIEDRM COc1ccccc1Oc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000442891975 1092847042 /nfs/dbraw/zinc/84/70/42/1092847042.db2.gz CXMAIFNPJGNODG-UHFFFAOYSA-N -1 0 360.369 4.317 20 30 FIEDRM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000439245117 1093220393 /nfs/dbraw/zinc/22/03/93/1093220393.db2.gz HWSPLEBTPZSUBO-UHFFFAOYSA-N -1 0 363.442 4.068 20 30 FIEDRM C=CCc1cc(C(=O)Nc2cc(F)cc(Cl)c2[O-])cc(OC)c1OC ZINC000474428356 1093778466 /nfs/dbraw/zinc/77/84/66/1093778466.db2.gz STGYROCZIRRZTK-UHFFFAOYSA-N -1 0 365.788 4.183 20 30 FIEDRM COc1ccc2oc(C(=O)/C=C\c3ccc([N+](=O)[O-])c([O-])c3)c(C)c2c1 ZINC000729150520 1093934913 /nfs/dbraw/zinc/93/49/13/1093934913.db2.gz KTLUTQIFMSOFPA-DAXSKMNVSA-N -1 0 353.330 4.260 20 30 FIEDRM CCCCCNC(=O)C(C#N)=C([O-])c1sc2cc(C)ccc2c1Cl ZINC000729186428 1093941336 /nfs/dbraw/zinc/94/13/36/1093941336.db2.gz HZDBHHNVBRYMON-CYBMUJFWSA-N -1 0 362.882 4.492 20 30 FIEDRM COc1cccc(N=c2[n-]nc(SCc3cccc(C#N)c3F)s2)c1 ZINC000513242780 1094033600 /nfs/dbraw/zinc/03/36/00/1094033600.db2.gz XWFRZRIXBJLYMJ-UHFFFAOYSA-N -1 0 372.450 4.015 20 30 FIEDRM Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000513403410 1094103122 /nfs/dbraw/zinc/10/31/22/1094103122.db2.gz UDRFIWVKFPVCEW-UHFFFAOYSA-N -1 0 364.854 4.108 20 30 FIEDRM N#CC(=C([O-])c1n[nH]c2c1CCCCC2)c1nc2cc(Cl)ccc2s1 ZINC000474975866 1094967001 /nfs/dbraw/zinc/96/70/01/1094967001.db2.gz YGYUXVLEJLMFJC-LBPRGKRZSA-N -1 0 370.865 4.432 20 30 FIEDRM Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cc1[N+](=O)[O-] ZINC000041559503 1094991654 /nfs/dbraw/zinc/99/16/54/1094991654.db2.gz ZTRXHFJALMDNTC-GFCCVEGCSA-N -1 0 370.315 4.138 20 30 FIEDRM Cc1onc(-c2cccnc2)c1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000513732287 1095149133 /nfs/dbraw/zinc/14/91/33/1095149133.db2.gz DCEWJYXQXSAVRZ-ZDUSSCGKSA-N -1 0 360.398 4.145 20 30 FIEDRM Cc1nc(C2CCCC2)sc1C([O-])=C(C#N)c1nc2[nH]ccc(C)c-2n1 ZINC000330265895 1095441847 /nfs/dbraw/zinc/44/18/47/1095441847.db2.gz ZWRHXALJPZBFCZ-ZDUSSCGKSA-N -1 0 365.462 4.179 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cc(F)c(Br)c(Cl)c2)n1 ZINC000513745724 1095462657 /nfs/dbraw/zinc/46/26/57/1095462657.db2.gz FRCWBAZGCGIHET-MRVPVSSYSA-N -1 0 373.634 4.497 20 30 FIEDRM C[C@H](C(=O)[N-][C@H](c1ccc(F)c(Cl)c1)C(F)(F)F)C(F)(F)F ZINC000436467581 1099035739 /nfs/dbraw/zinc/03/57/39/1099035739.db2.gz DUFAZBIEVVIJLI-MLUIRONXSA-N -1 0 351.649 4.397 20 30 FIEDRM CCOc1nc2cc(C([O-])=C(C#N)c3nc(C(C)C)cs3)ccc2[nH]1 ZINC000436699635 1099233080 /nfs/dbraw/zinc/23/30/80/1099233080.db2.gz VUDPEFMAYWMMKH-GFCCVEGCSA-N -1 0 354.435 4.032 20 30 FIEDRM Cc1cccc(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1O ZINC000436834920 1099345515 /nfs/dbraw/zinc/34/55/15/1099345515.db2.gz BCJYHIOHTGQODU-UHFFFAOYSA-N -1 0 358.397 4.404 20 30 FIEDRM COc1ccc(/C=C/C(=O)c2cc(F)cc(F)c2[O-])c(Cl)c1OC ZINC000757473657 1099781543 /nfs/dbraw/zinc/78/15/43/1099781543.db2.gz NMWHOEFVQMLWTP-HWKANZROSA-N -1 0 354.736 4.237 20 30 FIEDRM Cc1ccc(-c2ncccc2[N-]S(=O)(=O)c2cc(C#N)ccc2C)s1 ZINC000437659838 1100076778 /nfs/dbraw/zinc/07/67/78/1100076778.db2.gz YAZMBXNKRVOKGN-UHFFFAOYSA-N -1 0 369.471 4.099 20 30 FIEDRM N#Cc1ccc(CSc2n[n-]c(=NCc3ccccc3)s2)c(Cl)c1 ZINC000438822743 1100944861 /nfs/dbraw/zinc/94/48/61/1100944861.db2.gz WSZQSKRWLHCGBC-UHFFFAOYSA-N -1 0 372.906 4.389 20 30 FIEDRM N#CCCSc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000518645433 1101386674 /nfs/dbraw/zinc/38/66/74/1101386674.db2.gz DXXOCTUBMPFTGN-UHFFFAOYSA-N -1 0 370.858 4.286 20 30 FIEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(Oc2ccccc2)cc1 ZINC000126617186 1101528091 /nfs/dbraw/zinc/52/80/91/1101528091.db2.gz SULOYYQZYAHEQH-OAQYLSRUSA-N -1 0 370.408 4.118 20 30 FIEDRM C[C@H](/N=C\c1cc(Br)cc(Br)c1[O-])c1ccc[nH]1 ZINC000760229065 1101888390 /nfs/dbraw/zinc/88/83/90/1101888390.db2.gz OERHEONYNRRQEK-FBSVSCPKSA-N -1 0 372.060 4.425 20 30 FIEDRM N#Cc1cc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000321874753 1101948644 /nfs/dbraw/zinc/94/86/44/1101948644.db2.gz PEANAYAJAPLXGZ-UHFFFAOYSA-N -1 0 360.744 4.031 20 30 FIEDRM C[S@](=O)c1ccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)cc1 ZINC000051533455 1102148465 /nfs/dbraw/zinc/14/84/65/1102148465.db2.gz PQVMHPRDGGQFFZ-IVCQMTBJSA-N -1 0 366.467 4.038 20 30 FIEDRM COC(=O)c1cccc(C([O-])=C(C#N)c2nc(-c3ccccc3)cs2)c1 ZINC000051534049 1102148721 /nfs/dbraw/zinc/14/87/21/1102148721.db2.gz NHHSORFQOBAWKM-INIZCTEOSA-N -1 0 362.410 4.087 20 30 FIEDRM C=CCOc1ccccc1C(=O)N=c1nc(-c2cccc(Cl)c2)[n-]s1 ZINC000519391191 1102161832 /nfs/dbraw/zinc/16/18/32/1102161832.db2.gz IDYGWDKTPGQEMZ-UHFFFAOYSA-N -1 0 371.849 4.098 20 30 FIEDRM Cc1c(NCc2cn(CCC#N)nc2-c2ccccc2)cccc1C(=O)[O-] ZINC000551059228 1102876536 /nfs/dbraw/zinc/87/65/36/1102876536.db2.gz JHHHDNZAVKNISA-UHFFFAOYSA-N -1 0 360.417 4.083 20 30 FIEDRM N#Cc1ccc(/C=C/c2cccc(OCc3ccccc3C(=O)[O-])c2)nc1 ZINC000520249648 1104206676 /nfs/dbraw/zinc/20/66/76/1104206676.db2.gz CVWCPVCWQIRDDZ-CSKARUKUSA-N -1 0 356.381 4.401 20 30 FIEDRM C[C@@H](NC(=O)N=c1nc(C(C)(C)C)[n-]s1)c1nc(C(C)(C)C)cs1 ZINC000330841147 1104678879 /nfs/dbraw/zinc/67/88/79/1104678879.db2.gz YBFCAFJOURBPLL-SECBINFHSA-N -1 0 367.544 4.099 20 30 FIEDRM N#CC1CCC(CNC(=O)c2cc(Cl)cc(Br)c2[O-])CC1 ZINC000331289959 1104714668 /nfs/dbraw/zinc/71/46/68/1104714668.db2.gz OLDKCOYSFCQPKJ-UHFFFAOYSA-N -1 0 371.662 4.443 20 30 FIEDRM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(Cl)c1OC(C)C ZINC000610124047 1107763685 /nfs/dbraw/zinc/76/36/85/1107763685.db2.gz SJNITYAFAHVGLW-UHFFFAOYSA-N -1 0 364.854 4.108 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2oc3ccccc3c2CC)n1 ZINC000453631447 1108678766 /nfs/dbraw/zinc/67/87/66/1108678766.db2.gz SEJFOTJLZQELJM-CYBMUJFWSA-N -1 0 368.414 4.118 20 30 FIEDRM COc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])s2)cc1OCCCC#N ZINC000144678856 1109295131 /nfs/dbraw/zinc/29/51/31/1109295131.db2.gz BDHLRSAOUWHXNE-GQCTYLIASA-N -1 0 371.414 4.034 20 30 FIEDRM N#CC(=C([O-])c1ccc(C#N)s1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000429724573 1109607218 /nfs/dbraw/zinc/60/72/18/1109607218.db2.gz NGIRLXWWRZYIAJ-CQSZACIVSA-N -1 0 360.423 4.105 20 30 FIEDRM Cc1cccc(CN=c2[n-]nc(SCc3ccc(C#N)cc3)s2)c1 ZINC000447955721 1109686475 /nfs/dbraw/zinc/68/64/75/1109686475.db2.gz RCDNJHXHDKUCTH-UHFFFAOYSA-N -1 0 352.488 4.045 20 30 FIEDRM COc1nc(C)ccc1C([O-])=C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000538578031 1111201792 /nfs/dbraw/zinc/20/17/92/1111201792.db2.gz DQGGJHQGGWKHMG-MRXNPFEDSA-N -1 0 363.442 4.321 20 30 FIEDRM C=CCN(Cc1ccccc1)C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000478296203 1111742889 /nfs/dbraw/zinc/74/28/89/1111742889.db2.gz VXWDEELTBAZLFY-UHFFFAOYSA-N -1 0 367.836 4.060 20 30 FIEDRM Cc1c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cccc1C(F)(F)F ZINC000479521367 1112059067 /nfs/dbraw/zinc/05/90/67/1112059067.db2.gz DBAXDHAOSQUVLB-UHFFFAOYSA-N -1 0 374.771 4.340 20 30 FIEDRM COc1cccc(CCC(=O)[N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000042232959 1112838729 /nfs/dbraw/zinc/83/87/29/1112838729.db2.gz PZOKXXLNBUAFGP-UHFFFAOYSA-N -1 0 369.442 4.126 20 30 FIEDRM N#CC(=C([O-])c1cc(-c2ccccc2)ns1)c1cnc2ccccc2n1 ZINC000483238099 1113469089 /nfs/dbraw/zinc/46/90/89/1113469089.db2.gz QLAQVUHDLOJYCT-CQSZACIVSA-N -1 0 356.410 4.243 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nccc3ccccc32)nn1-c1ccccc1 ZINC000483238715 1113469744 /nfs/dbraw/zinc/46/97/44/1113469744.db2.gz QTPCZXQDAKLGSP-LJQANCHMSA-N -1 0 352.397 4.219 20 30 FIEDRM CSc1cccc(C([O-])=C(C#N)c2nc3ccccc3s2)c1[N+](=O)[O-] ZINC000486989594 1113691608 /nfs/dbraw/zinc/69/16/08/1113691608.db2.gz MTRXELVRDYJBEW-LLVKDONJSA-N -1 0 369.427 4.416 20 30 FIEDRM COC(=O)c1cc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])ccc1Cl ZINC000912787455 1114198525 /nfs/dbraw/zinc/19/85/25/1114198525.db2.gz VDAROGIXKWGWNF-UHFFFAOYSA-N -1 0 369.160 4.144 20 30 FIEDRM CC(C)(C)c1cnc(C(C#N)=C([O-])c2csc([C@H]3CCCO3)n2)s1 ZINC000571235957 1114449630 /nfs/dbraw/zinc/44/96/30/1114449630.db2.gz QMPQDDQOIWLTIC-ZYHUDNBSSA-N -1 0 361.492 4.239 20 30 FIEDRM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(C(F)(F)F)c1[O-] ZINC000572056806 1114596244 /nfs/dbraw/zinc/59/62/44/1114596244.db2.gz AQKCWKJHDAOXCU-WBVHZDCISA-N -1 0 374.362 4.323 20 30 FIEDRM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1ccc(Cl)o1 ZINC000129668174 1114699016 /nfs/dbraw/zinc/69/90/16/1114699016.db2.gz IYBMGYPCWUJMQI-MRVPVSSYSA-N -1 0 357.580 4.201 20 30 FIEDRM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1F)c1c(F)cc(F)cc1F ZINC000590263374 1114917842 /nfs/dbraw/zinc/91/78/42/1114917842.db2.gz OGZZKOLPCFSJJB-UHFFFAOYSA-N -1 0 373.249 4.063 20 30 FIEDRM Cc1ccc(SCC(=O)[N-]S(=O)(=O)C2=Cc3ccccc3CC2)cc1 ZINC000058036212 1115076445 /nfs/dbraw/zinc/07/64/45/1115076445.db2.gz AWPRCLMGVFBYAT-UHFFFAOYSA-N -1 0 373.499 4.361 20 30 FIEDRM CC(C)(C)c1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1O ZINC000593211371 1115307173 /nfs/dbraw/zinc/30/71/73/1115307173.db2.gz UEJIFZXQIJWXOG-UHFFFAOYSA-N -1 0 372.490 4.292 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2ccc(C(=O)OC(C)(C)C)nc2)n1 ZINC000593462548 1115328479 /nfs/dbraw/zinc/32/84/79/1115328479.db2.gz WNTAJKPYCCJWEB-CYBMUJFWSA-N -1 0 371.462 4.107 20 30 FIEDRM Cc1cccc(OCCCC(=O)[N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000046929850 1115548874 /nfs/dbraw/zinc/54/88/74/1115548874.db2.gz MACLHCDCXBIRKA-UHFFFAOYSA-N -1 0 361.463 4.116 20 30 FIEDRM Cc1ccc(C)c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1C(=O)[O-] ZINC000601983873 1115676855 /nfs/dbraw/zinc/67/68/55/1115676855.db2.gz QGVWCLRARFXNDN-SNVBAGLBSA-N -1 0 368.458 4.312 20 30 FIEDRM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1Cl ZINC000603969787 1115834820 /nfs/dbraw/zinc/83/48/20/1115834820.db2.gz NRXNLKPFZXDTDN-UHFFFAOYSA-N -1 0 374.771 4.340 20 30 FIEDRM N#Cc1ccc(C(=O)[O-])nc1/C=C\c1cc(Cl)ccc1Br ZINC000463045991 1117939361 /nfs/dbraw/zinc/93/93/61/1117939361.db2.gz VWNRREVDALSUGX-KTAJNNJTSA-N -1 0 363.598 4.238 20 30 FIEDRM COc1cccc(Oc2ccc(NC(=O)c3ccc(C#N)c([O-])c3)cc2)c1 ZINC000443313354 1117972853 /nfs/dbraw/zinc/97/28/53/1117972853.db2.gz XGZZNMRKLDXVFA-UHFFFAOYSA-N -1 0 360.369 4.317 20 30 FIEDRM CN(Cc1ccccc1)c1ccccc1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000443347365 1118108704 /nfs/dbraw/zinc/10/87/04/1118108704.db2.gz OLUKJZPMMDPCJV-UHFFFAOYSA-N -1 0 357.413 4.153 20 30 FIEDRM N#CCSc1cccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000464415110 1118548376 /nfs/dbraw/zinc/54/83/76/1118548376.db2.gz SFGDRLUYWCTOHH-AWEZNQCLSA-N -1 0 361.348 4.206 20 30 FIEDRM N#CC(=C([O-])c1c[nH]nc1-c1ccsc1)c1cc(C(F)(F)F)ccn1 ZINC000464415521 1118548535 /nfs/dbraw/zinc/54/85/35/1118548535.db2.gz XSQKAQVESXMBQW-LLVKDONJSA-N -1 0 362.336 4.042 20 30 FIEDRM CSCc1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cc1 ZINC000464421166 1118558369 /nfs/dbraw/zinc/55/83/69/1118558369.db2.gz SOXXDCKRFROMGU-CQSZACIVSA-N -1 0 350.365 4.453 20 30 FIEDRM CCC(CC)n1ncc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1C ZINC000464463691 1118570819 /nfs/dbraw/zinc/57/08/19/1118570819.db2.gz CBVSAFNGYHREPH-AWEZNQCLSA-N -1 0 364.371 4.457 20 30 FIEDRM CCSc1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)ccn1 ZINC000464463134 1118571454 /nfs/dbraw/zinc/57/14/54/1118571454.db2.gz BGYBIOVAXASNTQ-GFCCVEGCSA-N -1 0 351.353 4.097 20 30 FIEDRM COc1ccc2nc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)ccc2c1 ZINC000464468249 1118572849 /nfs/dbraw/zinc/57/28/49/1118572849.db2.gz MYZVPAXNGVZQSW-CQSZACIVSA-N -1 0 371.318 4.147 20 30 FIEDRM CCSc1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cn1 ZINC000464460992 1118578289 /nfs/dbraw/zinc/57/82/89/1118578289.db2.gz LYPWUCLVIPZDRW-LBPRGKRZSA-N -1 0 351.353 4.097 20 30 FIEDRM N#Cc1ccc([O-])c(NC(=O)c2ccc(C3SCCCS3)cc2)c1 ZINC000176407783 1119007577 /nfs/dbraw/zinc/00/75/77/1119007577.db2.gz CZAWQNLNSOUROA-UHFFFAOYSA-N -1 0 356.472 4.385 20 30 FIEDRM N#Cc1ccccc1OC1CCC(NC(=O)c2ccc([O-])c(Cl)c2)CC1 ZINC000111657404 1119215767 /nfs/dbraw/zinc/21/57/67/1119215767.db2.gz OHCVGDSBHJIMDS-UHFFFAOYSA-N -1 0 370.836 4.037 20 30 FIEDRM CC(C)c1csc(C(C#N)=C([O-])c2cccc(OCC(F)(F)F)n2)n1 ZINC000177769476 1119350328 /nfs/dbraw/zinc/35/03/28/1119350328.db2.gz CRLWSJNUIYYIII-JTQLQIEISA-N -1 0 369.368 4.093 20 30 FIEDRM C[C@@H](C(=O)[N-][C@H](c1ccccc1OC(F)F)C(F)(F)F)C(F)(F)F ZINC000493307179 1119437388 /nfs/dbraw/zinc/43/73/88/1119437388.db2.gz VUMVAJXDOMNENS-IMTBSYHQSA-N -1 0 365.220 4.206 20 30 FIEDRM N#CC(=C([O-])c1cc(=O)[nH]c(C2CC2)c1)c1nc2cc(Cl)ccc2s1 ZINC000187483788 1119785893 /nfs/dbraw/zinc/78/58/93/1119785893.db2.gz YQYFFIDLYXESAX-LBPRGKRZSA-N -1 0 369.833 4.005 20 30 FIEDRM CCCCn1nc(C)c(/C=C\C(=O)c2ccc(C(=O)[O-])s2)c1Cl ZINC000213234580 1120486945 /nfs/dbraw/zinc/48/69/45/1120486945.db2.gz WFWLYWNBQVWHOE-WAYWQWQTSA-N -1 0 352.843 4.301 20 30 FIEDRM COc1cccc([C@@H](C)C(=O)C(C#N)=C([O-])c2c(C)[nH]c3ccccc32)c1 ZINC000193598020 1120977309 /nfs/dbraw/zinc/97/73/09/1120977309.db2.gz DMMYUKHNSYMXCU-FZKQIMNGSA-N -1 0 360.413 4.180 20 30 FIEDRM CC(=NNc1cccc(C(=O)[O-])c1)c1cc(Br)ccc1F ZINC000763106922 1121118600 /nfs/dbraw/zinc/11/86/00/1121118600.db2.gz SFXMLUGQRFDIIG-UHFFFAOYSA-N -1 0 351.175 4.123 20 30 FIEDRM [O-]c1c(Cl)cc(Cl)cc1/C=N\C1CCN(c2ccccn2)CC1 ZINC000915979195 1121360260 /nfs/dbraw/zinc/36/02/60/1121360260.db2.gz MJLUGIGURQYHAY-NHDPSOOVSA-N -1 0 350.249 4.182 20 30 FIEDRM O=C([O-])Cc1ccc(C(=O)/C=C/c2cc(Cl)ccc2OC(F)F)cc1 ZINC000915987740 1121367242 /nfs/dbraw/zinc/36/72/42/1121367242.db2.gz KCMVMCSDLHKYPA-FNORWQNLSA-N -1 0 366.747 4.465 20 30 FIEDRM Cc1c2ccccc2oc1C(=O)/C=C/c1ccc(OCCC(=O)[O-])cc1 ZINC000915987279 1121367577 /nfs/dbraw/zinc/36/75/77/1121367577.db2.gz BSYVRCWRGAMQOI-DHZHZOJOSA-N -1 0 350.370 4.491 20 30 FIEDRM N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000916109255 1121415823 /nfs/dbraw/zinc/41/58/23/1121415823.db2.gz ZHPXLGIZKIRAMT-FPLPWBNLSA-N -1 0 353.230 4.278 20 30 FIEDRM O=C([O-])CCCOc1ccc(C(=O)/C=C/c2ccc3ncccc3c2)cc1 ZINC000916155298 1121429219 /nfs/dbraw/zinc/42/92/19/1121429219.db2.gz SIFWHUVZFIPABU-WUXMJOGZSA-N -1 0 361.397 4.375 20 30 FIEDRM CCOc1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc(Cl)c1O ZINC000916259310 1121453443 /nfs/dbraw/zinc/45/34/43/1121453443.db2.gz DOOXRVGCTPKUBI-UHFFFAOYSA-N -1 0 369.204 4.242 20 30 FIEDRM CC(C)c1ccc(C2(O)CCC(N=Nc3ccc(C(=O)[O-])cn3)CC2)cc1 ZINC000763367643 1121475308 /nfs/dbraw/zinc/47/53/08/1121475308.db2.gz FEIOSZUAOJIXEP-UHFFFAOYSA-N -1 0 367.449 4.133 20 30 FIEDRM CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(Br)cc1Cl ZINC000763371945 1121492304 /nfs/dbraw/zinc/49/23/04/1121492304.db2.gz NIMUZYLNAGRWTE-UHFFFAOYSA-N -1 0 368.618 4.032 20 30 FIEDRM CC(C)N1c2ccccc2C(=N[N-]c2nc(-c3ccccc3)cs2)C1=O ZINC000916545397 1121538705 /nfs/dbraw/zinc/53/87/05/1121538705.db2.gz HFSIKZSKCHUVTF-UHFFFAOYSA-N -1 0 362.458 4.381 20 30 FIEDRM O=C([O-])c1ccc(N=NC2CCCc3nc(-c4ccccc4)sc32)nc1 ZINC000763377672 1121548755 /nfs/dbraw/zinc/54/87/55/1121548755.db2.gz SIWOWVABGMERBW-UHFFFAOYSA-N -1 0 364.430 4.056 20 30 FIEDRM CCCCCNC(=O)C(C#N)=C([O-])c1cccc(Oc2ccccc2)c1 ZINC000916875296 1121905426 /nfs/dbraw/zinc/90/54/26/1121905426.db2.gz XLMFHUJPYWRWLO-IBGZPJMESA-N -1 0 350.418 4.108 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000916873360 1121905527 /nfs/dbraw/zinc/90/55/27/1121905527.db2.gz UGIIIDZKFPCCJZ-SFHVURJKSA-N -1 0 365.477 4.066 20 30 FIEDRM CCCCCCNC(=O)C(C#N)=C([O-])c1sc2cccc(F)c2c1C ZINC000916876324 1121906437 /nfs/dbraw/zinc/90/64/37/1121906437.db2.gz YZFLUSOQENSWGB-CYBMUJFWSA-N -1 0 360.454 4.368 20 30 FIEDRM CCCCCNC(=O)C(C#N)=C([O-])c1sc2cccc(C)c2c1Cl ZINC000916877509 1121907245 /nfs/dbraw/zinc/90/72/45/1121907245.db2.gz HKELAXSYQFJFIK-GFCCVEGCSA-N -1 0 362.882 4.492 20 30 FIEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1cccc(Oc2ccccc2)c1 ZINC000916893001 1121911285 /nfs/dbraw/zinc/91/12/85/1121911285.db2.gz QEZKTXDMBUZNOB-FQEVSTJZSA-N -1 0 362.429 4.250 20 30 FIEDRM COc1ccc(-c2csc(C(C#N)=C([O-])c3ccccc3OC)n2)cc1 ZINC000066544525 1122072618 /nfs/dbraw/zinc/07/26/18/1122072618.db2.gz LIHWPUUPTCGSQM-INIZCTEOSA-N -1 0 364.426 4.317 20 30 FIEDRM CCc1ccc2c(c1)C(=NNc1nc(Cl)c(Cl)cc1Cl)C(=O)N2 ZINC000917210423 1122224109 /nfs/dbraw/zinc/22/41/09/1122224109.db2.gz LMFOMFPUFIWHOH-UHFFFAOYSA-N -1 0 369.639 4.373 20 30 FIEDRM [O-]c1c(Cl)cc(Cl)cc1C=Nc1cccc(N2CCOCC2)c1 ZINC000917557873 1122361667 /nfs/dbraw/zinc/36/16/67/1122361667.db2.gz DPJVIHURIUVCML-UHFFFAOYSA-N -1 0 351.233 4.286 20 30 FIEDRM Cc1cc(C([O-])=C(C#N)c2nc(-c3c(F)cccc3F)cs2)ccn1 ZINC000556554814 1122959717 /nfs/dbraw/zinc/95/97/17/1122959717.db2.gz QPEPNVGRZAYFLT-GFCCVEGCSA-N -1 0 355.369 4.282 20 30 FIEDRM COc1cc(/C=C2/COc3ccc(C(C)C)cc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000920069065 1123337013 /nfs/dbraw/zinc/33/70/13/1123337013.db2.gz ZVZONWHLJGWVIU-NSIKDUERSA-N -1 0 369.373 4.091 20 30 FIEDRM COc1cc(/C=C\C(=O)c2c[nH]c3cc(Cl)ccc32)cc([N+](=O)[O-])c1[O-] ZINC000920068999 1123337038 /nfs/dbraw/zinc/33/70/38/1123337038.db2.gz XSNIXEFCANPUBK-DJWKRKHSSA-N -1 0 372.764 4.340 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)CCc1c[nH]c2ccccc12 ZINC000920101615 1123349923 /nfs/dbraw/zinc/34/99/23/1123349923.db2.gz GPBAYGADJUSOFY-GOSISDBHSA-N -1 0 369.424 4.482 20 30 FIEDRM Cc1[nH]c2ccccc2c1C([O-])=C(C#N)C(=O)[C@@H]1Cc2ccccc2S1 ZINC000920106264 1123351998 /nfs/dbraw/zinc/35/19/98/1123351998.db2.gz LXUDFXMRIXHBBL-YJBOKZPZSA-N -1 0 360.438 4.085 20 30 FIEDRM CCCCCNC(=O)C(C#N)=C([O-])c1ccc(OCC2CCCCC2)cc1 ZINC000920107067 1123352512 /nfs/dbraw/zinc/35/25/12/1123352512.db2.gz LHLUTLQJOMELMA-HXUWFJFHSA-N -1 0 370.493 4.275 20 30 FIEDRM C[C@@H](C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])COCc1ccccc1 ZINC000920174264 1123403585 /nfs/dbraw/zinc/40/35/85/1123403585.db2.gz LJKVBKHFIBBQLZ-NLLJVSSUSA-N -1 0 362.813 4.226 20 30 FIEDRM CC(=NNc1cccc(C(=O)[O-])c1)c1ccc(OCC(F)(F)F)cc1 ZINC000920478473 1123466998 /nfs/dbraw/zinc/46/69/98/1123466998.db2.gz KLZVNAIIPKMWDM-UHFFFAOYSA-N -1 0 352.312 4.162 20 30 FIEDRM Cc1cc(Oc2ccccc2)ccc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000609447232 1123715946 /nfs/dbraw/zinc/71/59/46/1123715946.db2.gz DLCOIXVIOYODKH-UHFFFAOYSA-N -1 0 364.426 4.460 20 30 FIEDRM C=CCc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)cc(OC)c1OC ZINC000078735768 1123805387 /nfs/dbraw/zinc/80/53/87/1123805387.db2.gz MMMOQLFCGGEODP-OAHLLOKOSA-N -1 0 362.385 4.064 20 30 FIEDRM CSc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)c1 ZINC000609984557 1123907429 /nfs/dbraw/zinc/90/74/29/1123907429.db2.gz NKFQDCMPHXWHFN-UHFFFAOYSA-N -1 0 372.393 4.100 20 30 FIEDRM O=C(Cc1ccccc1Cl)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000064695856 1123920997 /nfs/dbraw/zinc/92/09/97/1123920997.db2.gz UGZWRJYPRVVLCR-UHFFFAOYSA-N -1 0 362.209 4.020 20 30 FIEDRM CCOC(=O)c1csc(C(C#N)=C([O-])c2occc2-c2ccccc2)n1 ZINC000067894568 1123982777 /nfs/dbraw/zinc/98/27/77/1123982777.db2.gz JXKSPAVVKWWZBH-AWEZNQCLSA-N -1 0 366.398 4.070 20 30 FIEDRM Cc1csc(C(C#N)=C([O-])c2cc(C)n(-c3cccc(Cl)c3)n2)n1 ZINC000179829162 1124112272 /nfs/dbraw/zinc/11/22/72/1124112272.db2.gz GTXSZJDAHUMHIB-AWEZNQCLSA-N -1 0 356.838 4.089 20 30 FIEDRM Cc1ncc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C)n1 ZINC000179884805 1124133036 /nfs/dbraw/zinc/13/30/36/1124133036.db2.gz HOMGWLHBQYBUNG-CQSZACIVSA-N -1 0 368.849 4.360 20 30 FIEDRM COCc1nc(C([O-])=C(C#N)c2nc3cc(Cl)ccc3s2)cs1 ZINC000068412944 1124230470 /nfs/dbraw/zinc/23/04/70/1124230470.db2.gz CAVMXKSACMXXMJ-SECBINFHSA-N -1 0 363.851 4.043 20 30 FIEDRM N#Cc1cccc(OCCCCC(=O)Nc2cc(Cl)c([O-])cc2F)c1 ZINC000554031983 1124264210 /nfs/dbraw/zinc/26/42/10/1124264210.db2.gz PJVWSKROKDUGFE-UHFFFAOYSA-N -1 0 362.788 4.244 20 30 FIEDRM CC(C)CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000069283900 1124719563 /nfs/dbraw/zinc/71/95/63/1124719563.db2.gz QAOHWGVHZBMUIA-JTQLQIEISA-N -1 0 368.282 4.090 20 30 FIEDRM C[C@@H](Cc1cccc(F)c1)C(=O)[N-]S(=O)(=O)c1ccccc1Cl ZINC000069283794 1124719656 /nfs/dbraw/zinc/71/96/56/1124719656.db2.gz KCQJGGKWNWUHOS-NSHDSACASA-N -1 0 355.818 4.003 20 30 FIEDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CCCOc2ccccc2C)cc1C ZINC000069535253 1124952837 /nfs/dbraw/zinc/95/28/37/1124952837.db2.gz LRHWLLJLAJAFHW-UHFFFAOYSA-N -1 0 361.463 4.116 20 30 FIEDRM Cc1cccc(S(=O)(=O)[N-]C(=O)C2(c3cccc(F)c3)CCCC2)c1 ZINC000069569425 1124990361 /nfs/dbraw/zinc/99/03/61/1124990361.db2.gz BHSBTVAWZGQHEB-UHFFFAOYSA-N -1 0 361.438 4.291 20 30 FIEDRM CC(C)C[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccccc1Br ZINC000070031352 1125245114 /nfs/dbraw/zinc/24/51/14/1125245114.db2.gz OHVSVNZONVJBNZ-LLVKDONJSA-N -1 0 362.289 4.167 20 30 FIEDRM CCOc1cccnc1C([O-])=C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000093244944 1125287580 /nfs/dbraw/zinc/28/75/80/1125287580.db2.gz PIBKOSPCFPZGHB-LLVKDONJSA-N -1 0 357.822 4.233 20 30 FIEDRM Cc1[n-]n(-c2cc(C(F)(F)F)ccc2Br)c(=O)c1CCC#N ZINC000601944373 567882291 /nfs/dbraw/zinc/88/22/91/567882291.db2.gz GJDHCOLIRYWSCA-SNVBAGLBSA-N -1 0 374.160 4.110 20 30 FIEDRM N#Cc1cccc(S(=O)(=O)[N-]c2nc3c(ccc4ccccc34)s2)c1 ZINC000007505322 568238204 /nfs/dbraw/zinc/23/82/04/568238204.db2.gz LUECPSWTTSKZLK-UHFFFAOYSA-N -1 0 365.439 4.122 20 30 FIEDRM Cc1[nH]nc(C([O-])=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1C ZINC000604691004 568346098 /nfs/dbraw/zinc/34/60/98/568346098.db2.gz VZBDLWTYOORSCT-ZDUSSCGKSA-N -1 0 356.838 4.294 20 30 FIEDRM