smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)c2c(c1)C(=O)C(=Cc1ccccc1-c1nnn[n-]1)CCO2 ZINC000826263711 947761865 /nfs/dbraw/zinc/76/18/65/947761865.db2.gz MZONAOVTVLSICX-PTNGSMBKSA-N -1 3 346.390 3.532 20 30 EHEDHM Cc1cc(C)c2c(c1)C(=O)C(=Cc1ccccc1-c1nn[n-]n1)CCO2 ZINC000826263711 947761869 /nfs/dbraw/zinc/76/18/69/947761869.db2.gz MZONAOVTVLSICX-PTNGSMBKSA-N -1 3 346.390 3.532 20 30 EHEDHM O=C(C=Cc1cc2ccccc2o1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826399616 948215675 /nfs/dbraw/zinc/21/56/75/948215675.db2.gz AOOKVNWEDUBANB-SOFGYWHQSA-N -1 3 334.310 3.648 20 30 EHEDHM O=C(C=Cc1cc2ccccc2o1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826399616 948215681 /nfs/dbraw/zinc/21/56/81/948215681.db2.gz AOOKVNWEDUBANB-SOFGYWHQSA-N -1 3 334.310 3.648 20 30 EHEDHM O=C(C=Cc1ccc(F)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000826401428 948221834 /nfs/dbraw/zinc/22/18/34/948221834.db2.gz YHQCOIYUUCNEPO-ALCCZGGFSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1ccc(F)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826401428 948221839 /nfs/dbraw/zinc/22/18/39/948221839.db2.gz YHQCOIYUUCNEPO-ALCCZGGFSA-N -1 3 328.734 3.555 20 30 EHEDHM C=CCOc1ccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000426748664 974045964 /nfs/dbraw/zinc/04/59/64/974045964.db2.gz ZCSQBNHCVLXENL-KRWDZBQOSA-N -1 3 331.799 3.820 20 30 EHEDHM COc1cc(C=NNCCC(C)(C)C)cc(Br)c1[O-] ZINC000782907129 1016644339 /nfs/dbraw/zinc/64/43/39/1016644339.db2.gz JBFFXVPCPYIIPF-UHFFFAOYSA-N -1 3 329.238 3.523 20 30 EHEDHM Cc1noc(C)c1[N-]C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000340254767 1016795386 /nfs/dbraw/zinc/79/53/86/1016795386.db2.gz FPUMKMFKOJFCCV-UHFFFAOYSA-N -1 3 337.335 3.587 20 30 EHEDHM N#CC[C@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000597906206 1032744193 /nfs/dbraw/zinc/74/41/93/1032744193.db2.gz KVMLNWQPTSCJEC-OAHLLOKOSA-N -1 3 336.391 3.950 20 30 EHEDHM CSc1nccnc1C(=O)[N-]c1scc(C(C)(C)C)c1C#N ZINC000891144262 1018358293 /nfs/dbraw/zinc/35/82/93/1018358293.db2.gz DZCQXNMYZYTZHR-UHFFFAOYSA-N -1 3 332.454 3.681 20 30 EHEDHM N#Cc1csc(C(=O)[N-]c2nnc(CC3CCCCC3)s2)c1 ZINC000084107939 1020474824 /nfs/dbraw/zinc/47/48/24/1020474824.db2.gz IBKNJTNSJBCFLS-UHFFFAOYSA-N -1 3 332.454 3.846 20 30 EHEDHM COc1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c(OC)c1 ZINC000430604367 1020929828 /nfs/dbraw/zinc/92/98/28/1020929828.db2.gz PZCSSAVGAYRLRW-ZDUSSCGKSA-N -1 3 344.436 3.948 20 30 EHEDHM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])C=Cc1cncc(F)c1 ZINC000255325370 1021108496 /nfs/dbraw/zinc/10/84/96/1021108496.db2.gz JHAAUCAOHNELOF-MWWKQMNYSA-N -1 3 347.349 3.615 20 30 EHEDHM CCCc1cc(=O)[n-]c(C(=Cc2ccc(O[C@H](C)C#N)cc2)CC)n1 ZINC000588611121 1032965886 /nfs/dbraw/zinc/96/58/86/1032965886.db2.gz FICNJVCKCCCVAC-DSQDWWTGSA-N -1 3 337.423 3.964 20 30 EHEDHM CCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(CC)cc2)s1 ZINC000140322376 1021540131 /nfs/dbraw/zinc/54/01/31/1021540131.db2.gz IGSKVWXWPGHOII-AWEZNQCLSA-N -1 3 341.436 3.538 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC1CCC(C)CC1 ZINC000754773415 1021653961 /nfs/dbraw/zinc/65/39/61/1021653961.db2.gz AKFYLRZJYQADJU-UHFFFAOYSA-N -1 3 330.428 3.578 20 30 EHEDHM O=C([N-][C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)C1(F)CC1 ZINC000843574590 1021855664 /nfs/dbraw/zinc/85/56/64/1021855664.db2.gz FBRSTZMRLSNRON-VIFPVBQESA-N -1 3 329.215 3.927 20 30 EHEDHM Cc1sc2[n-]c([C@H](C)OC(=O)CC(C)(C)C#N)nc(=O)c2c1C ZINC000785080582 1022340851 /nfs/dbraw/zinc/34/08/51/1022340851.db2.gz RBLNIXRDMQNSBT-VIFPVBQESA-N -1 3 333.413 3.558 20 30 EHEDHM CC(=NNCc1ccc(Br)cc1)c1ccc([O-])c(F)c1 ZINC000728429914 1024288204 /nfs/dbraw/zinc/28/82/04/1024288204.db2.gz RXYBVRQVNRQXAK-UHFFFAOYSA-N -1 3 337.192 3.808 20 30 EHEDHM [O-]c1ccc(Cl)cc1/C=N\C1CCC(O)(c2cccnc2)CC1 ZINC000588488849 1024536079 /nfs/dbraw/zinc/53/60/79/1024536079.db2.gz AAUYVTFAPNRFOD-NHDPSOOVSA-N -1 3 330.815 3.690 20 30 EHEDHM C=CCOCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000436600294 1025932967 /nfs/dbraw/zinc/93/29/67/1025932967.db2.gz GBYFQPRHEHDCKK-UHFFFAOYSA-N -1 3 340.404 3.810 20 30 EHEDHM C[C@H](C#N)CN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])C1CC1 ZINC000436603107 1025936933 /nfs/dbraw/zinc/93/69/33/1025936933.db2.gz LGTBKLDGDGGLOF-MRXNPFEDSA-N -1 3 348.446 3.942 20 30 EHEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cncc(F)c2)cc1 ZINC000151605363 1026098658 /nfs/dbraw/zinc/09/86/58/1026098658.db2.gz ARVJCHKJVWKACM-QGZVFWFLSA-N -1 3 339.370 3.524 20 30 EHEDHM Cc1cccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c1C#N ZINC000137593614 1026471064 /nfs/dbraw/zinc/47/10/64/1026471064.db2.gz YTVBHNINBQSBTF-UHFFFAOYSA-N -1 3 342.754 3.599 20 30 EHEDHM Cn1cc(C([O-])=C(C#N)c2ccccn2)c(-c2ccccc2Cl)n1 ZINC000066729259 1028336579 /nfs/dbraw/zinc/33/65/79/1028336579.db2.gz FIIBIQNYAHJEAS-CYBMUJFWSA-N -1 3 336.782 3.626 20 30 EHEDHM C=CCCS(=O)(=O)[N-]c1ccc(Oc2ccccc2)cc1OC ZINC000446992399 1029883138 /nfs/dbraw/zinc/88/31/38/1029883138.db2.gz CPHRXBWHPGEMFA-UHFFFAOYSA-N -1 3 333.409 3.805 20 30 EHEDHM COc1cc(Cl)c(Cl)cc1N=Cc1ccc(O)c([O-])c1O ZINC000588577667 1030024265 /nfs/dbraw/zinc/02/42/65/1030024265.db2.gz DYHVXDMUVAVJIO-UHFFFAOYSA-N -1 3 328.151 3.869 20 30 EHEDHM CCCCOc1ccc(C(=O)N2Cc3ccc(C#N)cc3C2)c([O-])c1 ZINC000594399413 1033335274 /nfs/dbraw/zinc/33/52/74/1033335274.db2.gz KYGDAGIPWZXCKE-UHFFFAOYSA-N -1 3 336.391 3.599 20 30 EHEDHM CSc1cc(Cl)ccc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000594698395 1033513276 /nfs/dbraw/zinc/51/32/76/1033513276.db2.gz ZQNLWZVMYXGFQZ-UHFFFAOYSA-N -1 3 332.878 3.743 20 30 EHEDHM C=CCC1(C(=O)NCc2ccc([O-])c(Br)c2)CCCC1 ZINC000450152891 1033817512 /nfs/dbraw/zinc/81/75/12/1033817512.db2.gz RAOWUMQMDZVYPZ-UHFFFAOYSA-N -1 3 338.245 3.907 20 30 EHEDHM N#CC(=C([O-])c1cccc(Cn2ccnc2)c1)c1nc(C2CC2)cs1 ZINC000647379774 1034122788 /nfs/dbraw/zinc/12/27/88/1034122788.db2.gz MUJNXKLYRCNIDJ-INIZCTEOSA-N -1 3 348.431 3.755 20 30 EHEDHM O=C1C[C@H](C/N=C/c2cc(Cl)ccc2[O-])CN1Cc1ccccc1 ZINC000179366169 1034177080 /nfs/dbraw/zinc/17/70/80/1034177080.db2.gz VMKJNSAHXDJHRJ-UGVMZYNRSA-N -1 3 342.826 3.513 20 30 EHEDHM CCC(CC)c1nnc([N-]C(=O)c2cc(F)c(C#N)c(F)c2)s1 ZINC000596886874 1034428236 /nfs/dbraw/zinc/42/82/36/1034428236.db2.gz TZWUJQWCPIGRHG-UHFFFAOYSA-N -1 3 336.367 3.844 20 30 EHEDHM Cc1csc(C(C#N)=C([O-])c2ccc([C@H]3CCCOC3)cc2)n1 ZINC000540947057 1035846368 /nfs/dbraw/zinc/84/63/68/1035846368.db2.gz OLQBAGRUPYSNHW-JKSUJKDBSA-N -1 3 326.421 3.836 20 30 EHEDHM C=CCc1cccc(C(C)C)c1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188068507 1035890708 /nfs/dbraw/zinc/89/07/08/1035890708.db2.gz SPYXDGDLGWQLJH-UHFFFAOYSA-N -1 3 341.367 3.800 20 30 EHEDHM N#Cc1cscc1C(=O)[N-]c1nc(Sc2ccccc2)ns1 ZINC000590227070 1036818259 /nfs/dbraw/zinc/81/82/59/1036818259.db2.gz UUZMMXUARVIWNW-UHFFFAOYSA-N -1 3 344.446 3.875 20 30 EHEDHM C[C@@H](Oc1cc(O)cc([O-])c1Br)c1ccccc1C#N ZINC001229096564 1037530013 /nfs/dbraw/zinc/53/00/13/1037530013.db2.gz FKGSIAJNMDFVSQ-SECBINFHSA-N -1 3 334.169 3.872 20 30 EHEDHM N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000609112410 1037942007 /nfs/dbraw/zinc/94/20/07/1037942007.db2.gz CYEOJEBWPCCHKL-MRXNPFEDSA-N -1 3 341.798 3.525 20 30 EHEDHM N#Cc1ccsc1[N-]C(=O)c1csc(-c2ncccc2F)n1 ZINC000353059733 1038070030 /nfs/dbraw/zinc/07/00/30/1038070030.db2.gz DMARDBFPWUTVHG-UHFFFAOYSA-N -1 3 330.369 3.530 20 30 EHEDHM Cc1nn(-c2ccc(F)cc2)c(C)c1C([O-])=C(C#N)c1ccccn1 ZINC000041493243 1038099919 /nfs/dbraw/zinc/09/99/19/1038099919.db2.gz RVBIJDXSNPWBKM-MRXNPFEDSA-N -1 3 334.354 3.513 20 30 EHEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(CSC(C)C)c1C ZINC000416951529 1039257393 /nfs/dbraw/zinc/25/73/93/1039257393.db2.gz IXZOJFBDORDPHA-AWEZNQCLSA-N -1 3 326.487 3.681 20 30 EHEDHM C=C(C)CN(CC)C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000906077969 1039294713 /nfs/dbraw/zinc/29/47/13/1039294713.db2.gz XIJQVQBPLCPFCQ-UHFFFAOYSA-N -1 3 325.434 3.528 20 30 EHEDHM CC1(C)CCc2sc([N-]C(=O)c3ccnc(F)c3F)c(C#N)c21 ZINC000906263374 1039443643 /nfs/dbraw/zinc/44/36/43/1039443643.db2.gz WAHZYNJEMHWEJE-UHFFFAOYSA-N -1 3 333.363 3.769 20 30 EHEDHM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2scc(C)c2C#N)c1 ZINC000344894030 1044660015 /nfs/dbraw/zinc/66/00/15/1044660015.db2.gz MAQKNJSFRRLEJC-UHFFFAOYSA-N -1 3 333.394 3.811 20 30 EHEDHM O=C1Nc2cccc(Cl)c2C1=N[N-]c1ncc(Cl)cc1Cl ZINC000750921298 1127366864 /nfs/dbraw/zinc/36/68/64/1127366864.db2.gz DHDVTBDRRCCKQF-UHFFFAOYSA-N -1 3 341.585 3.810 20 30 EHEDHM Cc1ncc(CO)c(/C=N/c2cccc(OC3CCCC3)c2)c1[O-] ZINC000028185563 1127787621 /nfs/dbraw/zinc/78/76/21/1127787621.db2.gz SNPGRXCUTNJYLA-SRZZPIQSSA-N -1 3 326.396 3.660 20 30 EHEDHM O=C(c1ccc(C(F)(F)F)nc1Cl)N([O-])Cc1ccc(F)cc1 ZINC001649069553 1128132752 /nfs/dbraw/zinc/13/27/52/1128132752.db2.gz CNMNRHGVPYHPKG-UHFFFAOYSA-N -1 3 348.683 3.925 20 30 EHEDHM COC(=O)c1ccc(C(=O)N([O-])Cc2cccc3ccccc32)s1 ZINC001649070114 1128134833 /nfs/dbraw/zinc/13/48/33/1128134833.db2.gz QUKZWCBMDJLENE-UHFFFAOYSA-N -1 3 341.388 3.720 20 30 EHEDHM O=C(c1ccc2c(c1)CCCCC2=O)N([O-])Cc1ccc(F)cc1 ZINC001649076263 1128154636 /nfs/dbraw/zinc/15/46/36/1128154636.db2.gz SCZIGLSPGZFYFM-UHFFFAOYSA-N -1 3 327.355 3.766 20 30 EHEDHM C=C(C)CN(CC)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000195337636 1120777788 /nfs/dbraw/zinc/77/77/88/1120777788.db2.gz CEZVDGVRXAXNJF-UHFFFAOYSA-N -1 3 329.425 3.643 20 30 EHEDHM COc1ccc(/C=C/C(=O)c2cc(OC)c([O-])cc2OC)c(Cl)c1 ZINC000763104846 1121682876 /nfs/dbraw/zinc/68/28/76/1121682876.db2.gz GVTBNCPYPAZAGE-FNORWQNLSA-N -1 3 348.782 3.968 20 30 EHEDHM O=C(c1cnc2cc[nH]c2c1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001649025774 1121849362 /nfs/dbraw/zinc/84/93/62/1121849362.db2.gz ALCPGDYPFYMQMJ-UHFFFAOYSA-N -1 3 336.178 3.901 20 30 EHEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)c2ccc(OC(C)C)cc2)c1[O-] ZINC000915981767 1122006860 /nfs/dbraw/zinc/00/68/60/1122006860.db2.gz GTSIYCDQYYTZML-GMECJLQCSA-N -1 3 328.412 3.555 20 30 EHEDHM C=C[C@@H](C)O[N-]C(=O)CCc1ccccc1NC(=O)OC(C)(C)C ZINC000496883632 1122198909 /nfs/dbraw/zinc/19/89/09/1122198909.db2.gz LWJWKVRFIJMPHY-CYBMUJFWSA-N -1 3 334.416 3.589 20 30 EHEDHM CCCCCCC[C@H](C)C[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000917660742 1122660284 /nfs/dbraw/zinc/66/02/84/1122660284.db2.gz LCOLDALKXQRUGH-LBPRGKRZSA-N -1 3 349.928 3.657 20 30 EHEDHM CC(C)(C)[C@H]1CCc2c(C#N)c([N-]C(=O)c3cnsn3)sc2C1 ZINC000918553419 1122845689 /nfs/dbraw/zinc/84/56/89/1122845689.db2.gz MEUFEXCBOVBQFF-VIFPVBQESA-N -1 3 346.481 3.875 20 30 EHEDHM CC(C)COC(=O)Nc1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000920387553 1123363784 /nfs/dbraw/zinc/36/37/84/1123363784.db2.gz RJMIBLPFJXOMLS-UHFFFAOYSA-N -1 3 344.367 3.759 20 30 EHEDHM COc1cc(C(=O)/C=C/c2cccc3cnccc23)c(OC)cc1[O-] ZINC000180933091 1124105272 /nfs/dbraw/zinc/10/52/72/1124105272.db2.gz QZZQOUCEZAYIGY-VOTSOKGWSA-N -1 3 335.359 3.854 20 30 EHEDHM Cc1ncc(CO)c(/C=N/CC2(c3cccs3)CCCCC2)c1[O-] ZINC000739426533 1131502052 /nfs/dbraw/zinc/50/20/52/1131502052.db2.gz MYWAPOUNIISSSU-RGVLZGJSSA-N -1 3 344.480 3.970 20 30 EHEDHM O=[N+]([O-])c1ccccc1CC/N=C/c1cc(Br)ccc1[O-] ZINC000741842044 1131655113 /nfs/dbraw/zinc/65/51/13/1131655113.db2.gz DWKCIUJCGSKYNI-LICLKQGHSA-N -1 3 349.184 3.725 20 30 EHEDHM Cc1ncc(CO)c(C=Nc2cccc(Oc3ccccn3)c2)c1[O-] ZINC000743045746 1131842161 /nfs/dbraw/zinc/84/21/61/1131842161.db2.gz WRRKSSKYRILNRV-UHFFFAOYSA-N -1 3 335.363 3.526 20 30 EHEDHM N#Cc1ccc2nc(NC(=O)c3ccc4ccccc4c3[O-])[nH]c2c1 ZINC001169189386 1132687844 /nfs/dbraw/zinc/68/78/44/1132687844.db2.gz DBHUYLRDAMQIGB-UHFFFAOYSA-N -1 3 328.331 3.546 20 30 EHEDHM CCOC(=O)c1cc(C#N)c(Nc2cc(F)cc(C#N)c2)c(C)c1[O-] ZINC001175685035 1132738947 /nfs/dbraw/zinc/73/89/47/1132738947.db2.gz QYEYDLWIACOUFS-UHFFFAOYSA-N -1 3 339.326 3.503 20 30 EHEDHM O=C(/C=C/c1ccc(Br)cc1[N+](=O)[O-])c1cccc([O-])c1 ZINC000767717994 1133042620 /nfs/dbraw/zinc/04/26/20/1133042620.db2.gz IJOJQQBHCTVVRW-FNORWQNLSA-N -1 3 348.152 3.959 20 30 EHEDHM O=C(Cc1cccnc1Cl)N([O-])Cc1cccc2ccccc21 ZINC001184341335 1133931252 /nfs/dbraw/zinc/93/12/52/1133931252.db2.gz XRDIFUFRACYIFE-UHFFFAOYSA-N -1 3 326.783 3.849 20 30 EHEDHM COc1ccccc1[C@@H](CC(C)C)/N=C/c1c([O-])c(C)ncc1CO ZINC000746814622 1134275477 /nfs/dbraw/zinc/27/54/77/1134275477.db2.gz ADDDQVSMMJUQSK-NMONLQQWSA-N -1 3 342.439 3.803 20 30 EHEDHM Clc1cc2[nH]cc(C=N[N-]c3[nH+]cnc4[n-]cnc43)c2c(Cl)c1 ZINC000790158413 1134376827 /nfs/dbraw/zinc/37/68/27/1134376827.db2.gz YBNHQRSTNVZQAN-UHFFFAOYSA-N -1 3 346.181 3.587 20 30 EHEDHM Cc1ncc(CO)c(/C=N\CCCCc2ccc(Cl)s2)c1[O-] ZINC000790574817 1134442703 /nfs/dbraw/zinc/44/27/03/1134442703.db2.gz ONSIWSDZBJNSGI-NVMNQCDNSA-N -1 3 338.860 3.745 20 30 EHEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000076946941 1134610862 /nfs/dbraw/zinc/61/08/62/1134610862.db2.gz DOCCZJNZWJEGFO-PHDIDXHHSA-N -1 3 330.232 3.780 20 30 EHEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000076946941 1134610866 /nfs/dbraw/zinc/61/08/66/1134610866.db2.gz DOCCZJNZWJEGFO-PHDIDXHHSA-N -1 3 330.232 3.780 20 30 EHEDHM N#Cc1cc(NC(=O)c2csc(-c3cccs3)n2)ccc1[O-] ZINC001190574636 1134720899 /nfs/dbraw/zinc/72/08/99/1134720899.db2.gz HNTCWNQTSFXPNE-UHFFFAOYSA-N -1 3 327.390 3.701 20 30 EHEDHM CCNc1ccc(Cl)cc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000793123941 1134851966 /nfs/dbraw/zinc/85/19/66/1134851966.db2.gz KGDZOHIPKKGHRQ-CQSZACIVSA-N -1 3 328.803 3.669 20 30 EHEDHM CC(=[NH+][N-]c1cccc(Cl)n1)c1ccc(N2CCCC2)cc1[O-] ZINC000793174623 1134868271 /nfs/dbraw/zinc/86/82/71/1134868271.db2.gz LSCBGEYAMHXUME-UHFFFAOYSA-N -1 3 330.819 3.877 20 30 EHEDHM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1F ZINC001195309288 1135410868 /nfs/dbraw/zinc/41/08/68/1135410868.db2.gz KLCBIKQBOFPSTI-UHFFFAOYSA-N -1 3 342.754 3.599 20 30 EHEDHM Cc1onc(-c2ccc(O)cc2)c1C(=O)[N-]c1ccsc1C#N ZINC001196582012 1135585598 /nfs/dbraw/zinc/58/55/98/1135585598.db2.gz AVVIYEMLUPNXCI-UHFFFAOYSA-N -1 3 325.349 3.541 20 30 EHEDHM Cc1csc([N-]C(=O)c2csc(-c3ccccn3)n2)c1C#N ZINC000809003926 1135767289 /nfs/dbraw/zinc/76/72/89/1135767289.db2.gz YTHSWQBMOBMVAQ-UHFFFAOYSA-N -1 3 326.406 3.699 20 30 EHEDHM CC(C)CCc1nc(COC(=O)c2cc([O-])cc(C#N)c2)cs1 ZINC000811184943 1136056485 /nfs/dbraw/zinc/05/64/85/1136056485.db2.gz VZBNINDMVDWASR-UHFFFAOYSA-N -1 3 330.409 3.666 20 30 EHEDHM N#Cc1cccc(C(=O)COC(=O)c2cc3cc(Cl)sc3[n-]2)c1 ZINC000811393712 1136082224 /nfs/dbraw/zinc/08/22/24/1136082224.db2.gz CZJGFULXXMJYRM-UHFFFAOYSA-N -1 3 344.779 3.794 20 30 EHEDHM Cc1oc(-c2cccs2)nc1COC(=O)c1cc([O-])cc(C#N)c1 ZINC000776273179 1136128455 /nfs/dbraw/zinc/12/84/55/1136128455.db2.gz CYDBDYMVNVHZEG-UHFFFAOYSA-N -1 3 340.360 3.646 20 30 EHEDHM C#C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000812353032 1136197337 /nfs/dbraw/zinc/19/73/37/1136197337.db2.gz ZHDNJJMJLKTYHC-QGZVFWFLSA-N -1 3 345.801 3.998 20 30 EHEDHM C=CC[C@@H]1CCCC[C@H]1OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000851142764 1136342029 /nfs/dbraw/zinc/34/20/29/1136342029.db2.gz XUNAFGNDRRITEG-CRAIPNDOSA-N -1 3 342.439 3.886 20 30 EHEDHM O=C(NCC#Cc1ccccc1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001135967633 1136830413 /nfs/dbraw/zinc/83/04/13/1136830413.db2.gz ZHQBUSHZVUJLLT-UHFFFAOYSA-N -1 3 343.382 3.966 20 30 EHEDHM C=CCCO[N-]C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC000825555636 1137039344 /nfs/dbraw/zinc/03/93/44/1137039344.db2.gz DSXHRWZRFQHKDN-CQSZACIVSA-N -1 3 346.427 3.539 20 30 EHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])[C@@H]1CCCC(F)(F)C1 ZINC000845844955 1137312378 /nfs/dbraw/zinc/31/23/78/1137312378.db2.gz LBQWMXNRSVPSIA-HIFRSBDPSA-N -1 3 331.362 3.822 20 30 EHEDHM N#Cc1ccc(CC2CCN(Cc3cc(F)c([O-])cc3F)CC2)cc1 ZINC001144657966 1137322137 /nfs/dbraw/zinc/32/21/37/1137322137.db2.gz OXSWTCMCMPXSRN-UHFFFAOYSA-N -1 3 342.389 3.997 20 30 EHEDHM COc1cc(/C=C2/CCc3ccc(O)cc3C2=O)cc(Cl)c1[O-] ZINC000794960211 1137380121 /nfs/dbraw/zinc/38/01/21/1137380121.db2.gz OIPBKMCBDSFASR-SDQBBNPISA-N -1 3 330.767 3.972 20 30 EHEDHM C=CCOc1ccccc1[C@H](C)Nc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001171376437 1137462596 /nfs/dbraw/zinc/46/25/96/1137462596.db2.gz WROOAFPKPTURTJ-AWEZNQCLSA-N -1 3 335.411 3.913 20 30 EHEDHM C=CCOc1ccccc1[C@H](C)Nc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001171376437 1137462597 /nfs/dbraw/zinc/46/25/97/1137462597.db2.gz WROOAFPKPTURTJ-AWEZNQCLSA-N -1 3 335.411 3.913 20 30 EHEDHM CC(C)(C)[S@](=O)Cc1cccc(/N=C/c2cccc([O-])c2O)c1 ZINC000265215924 1138768818 /nfs/dbraw/zinc/76/88/18/1138768818.db2.gz QKNDQFJCAWNWGE-QNJILJPISA-N -1 3 331.437 3.896 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@H]2CCC[C@H](C)C2)no1 ZINC000273871525 1141436708 /nfs/dbraw/zinc/43/67/08/1141436708.db2.gz FWSLSRCBFSPFTK-FZMZJTMJSA-N -1 3 340.427 3.738 20 30 EHEDHM CCCCOc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000036714213 201080718 /nfs/dbraw/zinc/08/07/18/201080718.db2.gz MBLPYWYLQVKRPQ-UHFFFAOYSA-N -1 3 328.294 3.639 20 30 EHEDHM CCCCOc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000036714213 201080722 /nfs/dbraw/zinc/08/07/22/201080722.db2.gz MBLPYWYLQVKRPQ-UHFFFAOYSA-N -1 3 328.294 3.639 20 30 EHEDHM c1ccc(C[C@@H]2CCCC2N=Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000738425795 599286737 /nfs/dbraw/zinc/28/67/37/599286737.db2.gz AZTSQZHVLJQZQK-INIZCTEOSA-N -1 3 332.411 3.677 20 30 EHEDHM c1ccc(C[C@@H]2CCCC2N=Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000738425795 599286738 /nfs/dbraw/zinc/28/67/38/599286738.db2.gz AZTSQZHVLJQZQK-INIZCTEOSA-N -1 3 332.411 3.677 20 30 EHEDHM Cc1[nH]c2ccccc2c1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822010274 607458326 /nfs/dbraw/zinc/45/83/26/607458326.db2.gz VZNNOWKTRHBAKV-HJWRWDBZSA-N -1 3 347.353 3.692 20 30 EHEDHM Cc1[nH]c2ccccc2c1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822010274 607458327 /nfs/dbraw/zinc/45/83/27/607458327.db2.gz VZNNOWKTRHBAKV-HJWRWDBZSA-N -1 3 347.353 3.692 20 30 EHEDHM N#Cc1ccc(Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)cc1 ZINC000826386271 607645368 /nfs/dbraw/zinc/64/53/68/607645368.db2.gz WUIIYBYUGHWCIR-UHFFFAOYSA-N -1 3 345.391 3.605 20 30 EHEDHM N#Cc1ccc(Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)cc1 ZINC000826386271 607645370 /nfs/dbraw/zinc/64/53/70/607645370.db2.gz WUIIYBYUGHWCIR-UHFFFAOYSA-N -1 3 345.391 3.605 20 30 EHEDHM O=C1c2cccc3c2[C@@H](CCC3)C1=Cc1ccccc1-c1nnn[n-]1 ZINC000826475662 608109631 /nfs/dbraw/zinc/10/96/31/608109631.db2.gz MOAMNESXCRNXAY-ZCQLHAAUSA-N -1 3 328.375 3.567 20 30 EHEDHM O=C1c2cccc3c2[C@@H](CCC3)C1=Cc1ccccc1-c1nn[n-]n1 ZINC000826475662 608109632 /nfs/dbraw/zinc/10/96/32/608109632.db2.gz MOAMNESXCRNXAY-ZCQLHAAUSA-N -1 3 328.375 3.567 20 30 EHEDHM CCCC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccccc1 ZINC000825220429 608538629 /nfs/dbraw/zinc/53/86/29/608538629.db2.gz TYLGIFGYCOFQCU-UHFFFAOYSA-N -1 3 341.806 3.531 20 30 EHEDHM CCCC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccccc1 ZINC000825220429 608538631 /nfs/dbraw/zinc/53/86/31/608538631.db2.gz TYLGIFGYCOFQCU-UHFFFAOYSA-N -1 3 341.806 3.531 20 30 EHEDHM C[C@@H](CCN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccccc1 ZINC000824400351 608540435 /nfs/dbraw/zinc/54/04/35/608540435.db2.gz FSVJCLOSDXREBI-NSHDSACASA-N -1 3 341.806 3.507 20 30 EHEDHM C[C@@H](CCN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccccc1 ZINC000824400351 608540437 /nfs/dbraw/zinc/54/04/37/608540437.db2.gz FSVJCLOSDXREBI-NSHDSACASA-N -1 3 341.806 3.507 20 30 EHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)c(Cl)c1 ZINC000826401322 608878048 /nfs/dbraw/zinc/87/80/48/608878048.db2.gz VMOKKEZVUNRQCX-KXFIGUGUSA-N -1 3 346.724 3.694 20 30 EHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)c(Cl)c1 ZINC000826401322 608878049 /nfs/dbraw/zinc/87/80/49/608878049.db2.gz VMOKKEZVUNRQCX-KXFIGUGUSA-N -1 3 346.724 3.694 20 30 EHEDHM O=C(C=Cc1ccc(F)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826401264 609271065 /nfs/dbraw/zinc/27/10/65/609271065.db2.gz UFUTVXHLZUFMET-KXFIGUGUSA-N -1 3 346.724 3.694 20 30 EHEDHM O=C(C=Cc1ccc(F)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826401264 609271066 /nfs/dbraw/zinc/27/10/66/609271066.db2.gz UFUTVXHLZUFMET-KXFIGUGUSA-N -1 3 346.724 3.694 20 30 EHEDHM Cc1cc(C)c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000826262972 609271846 /nfs/dbraw/zinc/27/18/46/609271846.db2.gz GDXDVQGWTSGVDI-ALCCZGGFSA-N -1 3 336.370 3.827 20 30 EHEDHM Cc1cc(C)c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000826262972 609271847 /nfs/dbraw/zinc/27/18/47/609271847.db2.gz GDXDVQGWTSGVDI-ALCCZGGFSA-N -1 3 336.370 3.827 20 30 EHEDHM O=C1c2c3ccccc3[nH]c2CCC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000826475760 609369824 /nfs/dbraw/zinc/36/98/24/609369824.db2.gz PHLQBXOTHCELEE-YFHOEESVSA-N -1 3 347.403 3.622 20 30 EHEDHM O=C1c2c3ccccc3[nH]c2CCC1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000826475760 609369825 /nfs/dbraw/zinc/36/98/25/609369825.db2.gz PHLQBXOTHCELEE-YFHOEESVSA-N -1 3 347.403 3.622 20 30 EHEDHM C=CC1(CC(=O)Nc2scc(C)c2-c2nnn[n-]2)CCCCC1 ZINC001573316198 947268224 /nfs/dbraw/zinc/26/82/24/947268224.db2.gz SVAKDEYKOLSELK-UHFFFAOYSA-N -1 3 331.445 3.702 20 30 EHEDHM C=CC1(CC(=O)Nc2scc(C)c2-c2nn[n-]n2)CCCCC1 ZINC001573316198 947268237 /nfs/dbraw/zinc/26/82/37/947268237.db2.gz SVAKDEYKOLSELK-UHFFFAOYSA-N -1 3 331.445 3.702 20 30 EHEDHM CCc1ncsc1C([O-])=C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000160167917 1014178327 /nfs/dbraw/zinc/17/83/27/1014178327.db2.gz PTBKWWOCIZYWPR-CQSZACIVSA-N -1 3 349.415 3.820 20 30 EHEDHM Cc1cc(=O)[n-]c([C@H](C)Sc2nc(C(F)(F)F)ccc2C#N)n1 ZINC000274971297 1015686868 /nfs/dbraw/zinc/68/68/68/1015686868.db2.gz DGCTVTVWKURQPL-QMMMGPOBSA-N -1 3 340.330 3.629 20 30 EHEDHM CC1(C)CN(Cc2cccc(C(=O)[O-])c2C#N)CCc2ccccc21 ZINC001593942381 996965215 /nfs/dbraw/zinc/96/52/15/996965215.db2.gz HYBDBNAHQJKHGV-UHFFFAOYSA-N -1 3 334.419 3.592 20 30 EHEDHM O=C(/C=C\c1cccc([O-])c1Br)c1cn2c(n1)CCCC2 ZINC000905075663 1032343495 /nfs/dbraw/zinc/34/34/95/1032343495.db2.gz YAGSLDJBVAMWOE-FPLPWBNLSA-N -1 3 347.212 3.584 20 30 EHEDHM O=C1COc2cc(N=Cc3cc(Cl)ccc3[O-])c(Cl)cc2N1 ZINC000255087462 1017455141 /nfs/dbraw/zinc/45/51/41/1017455141.db2.gz SWVKKAUMLICQOG-UHFFFAOYSA-N -1 3 337.162 3.781 20 30 EHEDHM Cc1cc(C([O-])=C(C#N)c2ccncn2)c(C)n1-c1ccccc1C ZINC000760333696 1032874564 /nfs/dbraw/zinc/87/45/64/1032874564.db2.gz MFZDAHKKNGSDLN-QGZVFWFLSA-N -1 3 330.391 3.683 20 30 EHEDHM Cc1cc(C([O-])=C(C#N)c2ccncn2)c(C)n1-c1ccc(F)cc1 ZINC000760347587 1032888249 /nfs/dbraw/zinc/88/82/49/1032888249.db2.gz WPLVOQJHGKJQNW-QGZVFWFLSA-N -1 3 334.354 3.513 20 30 EHEDHM C=CCc1cc(C(=O)Nc2cccc([O-])c2F)cc(OC)c1OC ZINC000128507499 1020559718 /nfs/dbraw/zinc/55/97/18/1020559718.db2.gz YNQSGIHGVWYYHF-UHFFFAOYSA-N -1 3 331.343 3.529 20 30 EHEDHM COc1ccc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c(OC)c1 ZINC000430604366 1020930143 /nfs/dbraw/zinc/93/01/43/1020930143.db2.gz PZCSSAVGAYRLRW-CYBMUJFWSA-N -1 3 344.436 3.948 20 30 EHEDHM Cc1ccc(Cc2nnc([N-]C(=O)c3cc(C#N)cs3)s2)cc1 ZINC000084109018 1020964210 /nfs/dbraw/zinc/96/42/10/1020964210.db2.gz RMRYXNLACISNLU-UHFFFAOYSA-N -1 3 340.433 3.623 20 30 EHEDHM CC(C)(C#N)c1ccc(CN[C@@H](CC(=O)[O-])c2ccsc2)cc1 ZINC000593947103 1033088037 /nfs/dbraw/zinc/08/80/37/1033088037.db2.gz FVQCSZBZWHAQSO-INIZCTEOSA-N -1 3 328.437 3.855 20 30 EHEDHM CC(=O)c1ccc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1[O-] ZINC000665337006 1023967418 /nfs/dbraw/zinc/96/74/18/1023967418.db2.gz UIZBJOBEJWSFDG-OALUTQOASA-N -1 3 348.402 3.507 20 30 EHEDHM CC(=O)c1ccc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1[O-] ZINC000665337008 1023967998 /nfs/dbraw/zinc/96/79/98/1023967998.db2.gz UIZBJOBEJWSFDG-RTBURBONSA-N -1 3 348.402 3.507 20 30 EHEDHM N#CCCCCC(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000594312387 1033265017 /nfs/dbraw/zinc/26/50/17/1033265017.db2.gz FLAJOZKNEGKOJG-UHFFFAOYSA-N -1 3 337.210 3.828 20 30 EHEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000255491230 1025414531 /nfs/dbraw/zinc/41/45/31/1025414531.db2.gz WZWPYUHJAZTGJI-HHGUGQKFSA-N -1 3 336.222 3.792 20 30 EHEDHM Cn1c(C(C#N)=C([O-])c2ccc3ccccc3n2)nc2ccccc21 ZINC000122632273 1026628082 /nfs/dbraw/zinc/62/80/82/1026628082.db2.gz ACYHVIANILQGSV-AWEZNQCLSA-N -1 3 326.359 3.612 20 30 EHEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000536132676 1030801341 /nfs/dbraw/zinc/80/13/41/1030801341.db2.gz YJACVVJEFWULJY-UHFFFAOYSA-N -1 3 332.828 3.620 20 30 EHEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C(C#N)(CC)CC)c2)n1 ZINC000528030178 1031609329 /nfs/dbraw/zinc/60/93/29/1031609329.db2.gz MZCRZSWSIHWNMT-UHFFFAOYSA-N -1 3 338.411 3.680 20 30 EHEDHM Cc1c(C(=O)N([O-])Cc2ccccc2Cl)[nH]c2c1C(=O)CCC2 ZINC000904187492 1031813900 /nfs/dbraw/zinc/81/39/00/1031813900.db2.gz MAFZQOJPHJNXQO-UHFFFAOYSA-N -1 3 332.787 3.527 20 30 EHEDHM CCc1cccc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1[O-] ZINC000091990179 1034722575 /nfs/dbraw/zinc/72/25/75/1034722575.db2.gz XEJBWZSVDZMQFN-RTBURBONSA-N -1 3 334.419 3.867 20 30 EHEDHM N#CC1(CC(=O)Nc2cc(Br)ccc2[O-])CCCCC1 ZINC000597443871 1034754660 /nfs/dbraw/zinc/75/46/60/1034754660.db2.gz YWIPIJRCICKOEW-UHFFFAOYSA-N -1 3 337.217 3.957 20 30 EHEDHM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000475797540 1036074149 /nfs/dbraw/zinc/07/41/49/1036074149.db2.gz MACFZKNTMNMUEC-UHFFFAOYSA-N -1 3 347.415 3.513 20 30 EHEDHM N#CCOc1ccc(/C=C/C(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000493272015 1037189589 /nfs/dbraw/zinc/18/95/89/1037189589.db2.gz UCQDAEOZCDJOHK-RMKNXTFCSA-N -1 3 328.755 3.600 20 30 EHEDHM CCc1ccc([C@@H](C#N)NC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000489945467 1040270141 /nfs/dbraw/zinc/27/01/41/1040270141.db2.gz AROYRHPVWGUVOI-GOSISDBHSA-N -1 3 340.398 3.797 20 30 EHEDHM O=C(/C=C\c1cccc([O-])c1Br)c1ccnn1C1CCC1 ZINC000899396928 1040443436 /nfs/dbraw/zinc/44/34/36/1040443436.db2.gz IRXHVYHUFOUDIJ-FPLPWBNLSA-N -1 3 347.212 3.972 20 30 EHEDHM COc1cc(C(=O)C=Cc2c[nH]nc2-c2cccc(C)c2)ccc1[O-] ZINC000728785916 1040679338 /nfs/dbraw/zinc/67/93/38/1040679338.db2.gz PTNMEKKBLUPMLO-FPLPWBNLSA-N -1 3 334.375 3.995 20 30 EHEDHM N#CCCN(CC1CC1)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000094107441 1042786107 /nfs/dbraw/zinc/78/61/07/1042786107.db2.gz YSQQPUBXZIGLHP-UHFFFAOYSA-N -1 3 348.446 3.943 20 30 EHEDHM C=CCOc1cc(OC)ccc1C(=O)N([O-])Cc1ccccc1Cl ZINC001649045993 1127996542 /nfs/dbraw/zinc/99/65/42/1127996542.db2.gz IHNWGYHJXHUGLN-UHFFFAOYSA-N -1 3 347.798 3.945 20 30 EHEDHM N#Cc1c[nH]c2ncc(NCc3cc(Cl)c4cccnc4c3[O-])cc12 ZINC001168523584 1122780380 /nfs/dbraw/zinc/78/03/80/1122780380.db2.gz PRWLKZVDHLTOEX-UHFFFAOYSA-N -1 3 349.781 3.954 20 30 EHEDHM [O-]c1c(O)ccc(C=Nc2ccc3c(c2)OC2(CCCC2)O3)c1O ZINC000920944860 1123441242 /nfs/dbraw/zinc/44/12/42/1123441242.db2.gz SPYNPPOVGGDPMZ-UHFFFAOYSA-N -1 3 327.336 3.596 20 30 EHEDHM N#Cc1cc(N)c(Nc2cc(F)cc(F)c2[O-])cc1C(F)(F)F ZINC001212492553 1129147767 /nfs/dbraw/zinc/14/77/67/1129147767.db2.gz AVDJLXXCSIYHQH-UHFFFAOYSA-N -1 3 329.228 3.887 20 30 EHEDHM CC[C@@H](Cc1ccc(Cl)cc1)/N=C/c1c([O-])c(C)ncc1CO ZINC000734753277 1131272225 /nfs/dbraw/zinc/27/22/25/1131272225.db2.gz QVYOUYOJBQUWQU-CTJICSLTSA-N -1 3 332.831 3.682 20 30 EHEDHM CC(C)c1ccc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)c([O-])c1 ZINC000619729549 1125394269 /nfs/dbraw/zinc/39/42/69/1125394269.db2.gz NFYTVYBRCINANC-UHFFFAOYSA-N -1 3 349.434 3.608 20 30 EHEDHM O=C1Nc2c(c(Cl)ccc2F)C1=N[N-]c1c(F)cccc1F ZINC000735615533 1131364044 /nfs/dbraw/zinc/36/40/44/1131364044.db2.gz SHMHMHUVBWGKQS-UHFFFAOYSA-N -1 3 325.677 3.526 20 30 EHEDHM CC(C)Oc1cc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)ccn1 ZINC000347813361 1129863518 /nfs/dbraw/zinc/86/35/18/1129863518.db2.gz UBEOGTRAWPFMON-CYBMUJFWSA-N -1 3 349.312 3.773 20 30 EHEDHM O=C(C/N=C/c1cc(Cl)ccc1[O-])OCc1ccccc1Cl ZINC000733205161 1131005524 /nfs/dbraw/zinc/00/55/24/1131005524.db2.gz LSLCVULBHFXWJI-UFWORHAWSA-N -1 3 338.190 3.861 20 30 EHEDHM CCC(CC)(C/N=C\c1c([O-])c(C)ncc1CO)c1ccccc1 ZINC000743044211 1131842117 /nfs/dbraw/zinc/84/21/17/1131842117.db2.gz GYBZNEZZNVLFHP-MTJSOVHGSA-N -1 3 326.440 3.765 20 30 EHEDHM Cc1ncc(CO)c(/C=N\Cc2cccc(Cl)c2Cl)c1[O-] ZINC000745624601 1132283552 /nfs/dbraw/zinc/28/35/52/1132283552.db2.gz LXAXGJJHKLQIFX-WSVATBPTSA-N -1 3 325.195 3.514 20 30 EHEDHM N#Cc1cc(NC(=O)Cc2ccc(-c3ccccn3)cc2)ccc1[O-] ZINC001177952131 1133121322 /nfs/dbraw/zinc/12/13/22/1133121322.db2.gz WVFQCQIROWMAQO-UHFFFAOYSA-N -1 3 329.359 3.507 20 30 EHEDHM O=C(Cc1cc(C(F)(F)F)cc(Cl)c1F)[N-]CC(F)(F)F ZINC001179981604 1133309870 /nfs/dbraw/zinc/30/98/70/1133309870.db2.gz FJHOOWUHHKFAKO-UHFFFAOYSA-N -1 3 337.622 3.719 20 30 EHEDHM CSC=CC([O-])=C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000771578871 1133573895 /nfs/dbraw/zinc/57/38/95/1133573895.db2.gz POPKXMRTUNZOAK-QUCGXOGASA-N -1 3 329.208 3.517 20 30 EHEDHM Cc1onc(-c2ccccn2)c1C(=O)N([O-])Cc1ccccc1Cl ZINC001184283825 1133923227 /nfs/dbraw/zinc/92/32/27/1133923227.db2.gz RUCNZZMKOSPWML-UHFFFAOYSA-N -1 3 343.770 3.730 20 30 EHEDHM CCCCCCCCS(=O)(=O)[N-]c1ccccc1OC1COC1 ZINC001188017857 1134416746 /nfs/dbraw/zinc/41/67/46/1134416746.db2.gz HMYQWHLZLJXGHC-UHFFFAOYSA-N -1 3 341.473 3.566 20 30 EHEDHM C=CCC1(C(=O)[N-]OCc2ccc(F)cc2Br)CCC1 ZINC000790951207 1134484197 /nfs/dbraw/zinc/48/41/97/1134484197.db2.gz WZNRFZNFJAQMDB-UHFFFAOYSA-N -1 3 342.208 3.882 20 30 EHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H](CC2CC2)c2ccccc2)c1 ZINC001190677840 1134737994 /nfs/dbraw/zinc/73/79/94/1134737994.db2.gz UWZLSXNOHMBEBN-QGZVFWFLSA-N -1 3 344.411 3.517 20 30 EHEDHM C#C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1Br)C(C)(C)C ZINC001129615939 1135119476 /nfs/dbraw/zinc/11/94/76/1135119476.db2.gz JXVQINLLGUQLBS-GFCCVEGCSA-N -1 3 344.199 3.705 20 30 EHEDHM Cc1ncc(CO)c(/C=N/C[C@H](C)Oc2ccc(C(C)C)cc2)c1[O-] ZINC000804597677 1135141215 /nfs/dbraw/zinc/14/12/15/1135141215.db2.gz CULQMUDJATWGMC-FVUPAENESA-N -1 3 342.439 3.598 20 30 EHEDHM Cc1nc(C#N)c([N-]C(=O)c2cnc(-c3ccc(Cl)cc3)s2)o1 ZINC001196424639 1135561845 /nfs/dbraw/zinc/56/18/45/1135561845.db2.gz TUFLEFNTRHGXNT-UHFFFAOYSA-N -1 3 344.783 3.884 20 30 EHEDHM COc1cc(C(=O)C=Cc2c[nH]nc2-c2ccc(C)cc2)ccc1[O-] ZINC000810224169 1135940052 /nfs/dbraw/zinc/94/00/52/1135940052.db2.gz VHDHQNVWRHPXOK-CMDGGOBGSA-N -1 3 334.375 3.995 20 30 EHEDHM Cc1ccc(-c2nc(COC(=O)c3cc([O-])cc(C#N)c3)cs2)o1 ZINC000811188533 1136056868 /nfs/dbraw/zinc/05/68/68/1136056868.db2.gz NLCSYKNVCWFCFK-UHFFFAOYSA-N -1 3 340.360 3.646 20 30 EHEDHM COC[C@H](C)Oc1ccc(/C=C\C(=O)c2ccc([O-])c(OC)c2)cc1 ZINC000853001944 1136496901 /nfs/dbraw/zinc/49/69/01/1136496901.db2.gz CYNJAQMXDPIXGC-APFBBLRHSA-N -1 3 342.391 3.711 20 30 EHEDHM O=c1[nH]ccc2cc(NN=Cc3ccc4ccccc4c3[O-])ccc21 ZINC000814924690 1136525137 /nfs/dbraw/zinc/52/51/37/1136525137.db2.gz XMAXLDMSTKCTAV-UHFFFAOYSA-N -1 3 329.359 3.833 20 30 EHEDHM C=CCC(F)(F)C(=O)[N-][C@@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000854874974 1136649909 /nfs/dbraw/zinc/64/99/09/1136649909.db2.gz VECNZOJIJHSKCE-ZDUSSCGKSA-N -1 3 338.181 3.529 20 30 EHEDHM Cc1ccccc1COCC(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1 ZINC000857033406 1136834961 /nfs/dbraw/zinc/83/49/61/1136834961.db2.gz DNWARRDIWNPAPP-IBGZPJMESA-N -1 3 347.414 3.521 20 30 EHEDHM C=CCOc1cccc(NC(=O)c2cc([O-])cc(Br)c2)c1 ZINC001136388724 1137009791 /nfs/dbraw/zinc/00/97/91/1137009791.db2.gz ASYOZKWYXUBWGD-UHFFFAOYSA-N -1 3 348.196 3.972 20 30 EHEDHM COc1cc(/C=C/C(=O)c2occc2C)cc(Br)c1[O-] ZINC000119014495 1137153128 /nfs/dbraw/zinc/15/31/28/1137153128.db2.gz XNDYJIZDSWHWNF-ONEGZZNKSA-N -1 3 337.169 3.961 20 30 EHEDHM COc1ccc(/C=C/C(=O)c2ccc([O-])c(OC)c2)cc1OC1CC1 ZINC000863180481 1137172717 /nfs/dbraw/zinc/17/27/17/1137172717.db2.gz OVEUZMVXUJDEIE-FPYGCLRLSA-N -1 3 340.375 3.847 20 30 EHEDHM CC(C)OC(=O)CC[C@@H](C)/N=C/c1cc(Br)ccc1[O-] ZINC000794831474 1137268339 /nfs/dbraw/zinc/26/83/39/1137268339.db2.gz BCCBBTRRTZLVAG-LBFZPMSMSA-N -1 3 342.233 3.694 20 30 EHEDHM N#C[C@H]([N-]C(=O)CC(F)(F)C(F)(F)F)c1ccc(Cl)cc1 ZINC000865199956 1137268373 /nfs/dbraw/zinc/26/83/73/1137268373.db2.gz XQAVBMSEUCZPLX-VIFPVBQESA-N -1 3 326.652 3.609 20 30 EHEDHM C=C[C@@H](C)O[N-]C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 ZINC000846543641 1137354880 /nfs/dbraw/zinc/35/48/80/1137354880.db2.gz APWSPFBLVBWINP-SECBINFHSA-N -1 3 344.358 3.870 20 30 EHEDHM Cc1ccccc1N=C1NC(=O)/C(=C\c2c(F)ccc([O-])c2F)S1 ZINC000794931533 1137364310 /nfs/dbraw/zinc/36/43/10/1137364310.db2.gz MTODTMUXXWPZNE-RIYZIHGNSA-N -1 3 346.358 3.870 20 30 EHEDHM N#Cc1ccccc1C(F)(F)C(=O)[N-][C@@H]1CCc2ccc(F)cc21 ZINC001144927355 1137364303 /nfs/dbraw/zinc/36/43/03/1137364303.db2.gz JEDKAIXUWRSNHQ-MRXNPFEDSA-N -1 3 330.309 3.593 20 30 EHEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1ccc(-n2cccn2)cc1 ZINC000794939919 1137371012 /nfs/dbraw/zinc/37/10/12/1137371012.db2.gz ZHOMJYVQLYGRQG-SOFGYWHQSA-N -1 3 326.302 3.752 20 30 EHEDHM O=C(C=Cc1c(F)ccc([O-])c1F)c1ccc(C(F)(F)F)[nH]c1=O ZINC000794935989 1137371386 /nfs/dbraw/zinc/37/13/86/1137371386.db2.gz BYHSQEVVBFWRKO-RJRFIUFISA-N -1 3 345.223 3.686 20 30 EHEDHM O=C(c1ccccc1)N1CCC(/N=C/c2cc(Cl)ccc2[O-])CC1 ZINC000016703065 1137384313 /nfs/dbraw/zinc/38/43/13/1137384313.db2.gz VZGYLCCPGPJDRR-FYJGNVAPSA-N -1 3 342.826 3.769 20 30 EHEDHM CC(=O)c1cc(C(=O)Nc2c(F)cc(C#N)cc2Cl)ccc1[O-] ZINC001148664011 1137431363 /nfs/dbraw/zinc/43/13/63/1137431363.db2.gz GSRSUFGCUYAHAA-UHFFFAOYSA-N -1 3 332.718 3.511 20 30 EHEDHM CCOc1ccccc1/C=C/C(=O)c1cc(OC)c([O-])cc1OC ZINC000122514390 1137445286 /nfs/dbraw/zinc/44/52/86/1137445286.db2.gz AILNOWRHJQGPCQ-MDZDMXLPSA-N -1 3 328.364 3.704 20 30 EHEDHM CC(C)(CC(=O)[N-]Oc1cccc(C#N)c1)CC(=O)c1ccccc1 ZINC000870690831 1137505611 /nfs/dbraw/zinc/50/56/11/1137505611.db2.gz VEROZVDGPSOZLO-UHFFFAOYSA-N -1 3 336.391 3.658 20 30 EHEDHM COc1cc(C(=O)/C=C/c2c(C3CC3)nc3sccn23)ccc1[O-] ZINC000133347920 1137886373 /nfs/dbraw/zinc/88/63/73/1137886373.db2.gz GQIDPGJLTDFLLR-FNORWQNLSA-N -1 3 340.404 3.884 20 30 EHEDHM CCc1cccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)c1[O-] ZINC000887703622 1138693796 /nfs/dbraw/zinc/69/37/96/1138693796.db2.gz ZXAYRVBIMWMJNJ-UHFFFAOYSA-N -1 3 334.419 3.846 20 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KVNGHNPRMJDLMW-PTNGSMBKSA-N -1 3 330.391 3.696 20 30 EHEDHM Cc1ccc(C)c(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1 ZINC000822231879 599116632 /nfs/dbraw/zinc/11/66/32/599116632.db2.gz KVNGHNPRMJDLMW-PTNGSMBKSA-N -1 3 330.391 3.696 20 30 EHEDHM Cc1ccc(CC(N=Nc2cccc(-c3nnn[n-]3)c2)C2CC2)cc1 ZINC000737329766 599151273 /nfs/dbraw/zinc/15/12/73/599151273.db2.gz NLCJPWUQHAPKTN-UHFFFAOYSA-N -1 3 332.411 3.596 20 30 EHEDHM Cc1ccc(CC(N=Nc2cccc(-c3nn[n-]n3)c2)C2CC2)cc1 ZINC000737329766 599151275 /nfs/dbraw/zinc/15/12/75/599151275.db2.gz NLCJPWUQHAPKTN-UHFFFAOYSA-N -1 3 332.411 3.596 20 30 EHEDHM CSc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000737192700 599157591 /nfs/dbraw/zinc/15/75/91/599157591.db2.gz LGRZVGRXNQOIGH-YWEYNIOJSA-N -1 3 340.383 3.624 20 30 EHEDHM CSc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000737192700 599157594 /nfs/dbraw/zinc/15/75/94/599157594.db2.gz LGRZVGRXNQOIGH-YWEYNIOJSA-N -1 3 340.383 3.624 20 30 EHEDHM C[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(F)c(Cl)c1 ZINC000736662703 600595660 /nfs/dbraw/zinc/59/56/60/600595660.db2.gz RZPXBEAWAWKRFG-MGPLVRAMSA-N -1 3 332.762 3.827 20 30 EHEDHM N#Cc1ccc([C@H](N[C@H]2CCc3cc(Cl)ccc32)C(=O)[O-])cc1 ZINC000739105384 600596010 /nfs/dbraw/zinc/59/60/10/600596010.db2.gz GPLVFOVVNMDVIX-IRXDYDNUSA-N -1 3 326.783 3.614 20 30 EHEDHM CC(C)c1csc(C(C#N)C(=O)c2ccc(NC(=O)[O-])cc2)n1 ZINC000824477020 603440990 /nfs/dbraw/zinc/44/09/90/603440990.db2.gz YVMHQFDREKCWCU-LBPRGKRZSA-N -1 3 329.381 3.846 20 30 EHEDHM COc1ccc(C=CC(=O)c2coc3ccccc23)cc1-c1nnn[n-]1 ZINC000826190788 607645567 /nfs/dbraw/zinc/64/55/67/607645567.db2.gz NKPPYASGWPSYSV-SOFGYWHQSA-N -1 3 346.346 3.518 20 30 EHEDHM COc1ccc(C=CC(=O)c2coc3ccccc23)cc1-c1nn[n-]n1 ZINC000826190788 607645568 /nfs/dbraw/zinc/64/55/68/607645568.db2.gz NKPPYASGWPSYSV-SOFGYWHQSA-N -1 3 346.346 3.518 20 30 EHEDHM C=C(C)CN(CC)C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000819723047 606198946 /nfs/dbraw/zinc/19/89/46/606198946.db2.gz WBTJRLCZAXLBOI-UHFFFAOYSA-N -1 3 347.422 3.572 20 30 EHEDHM C=C(C)CN(CC)C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000819723047 606198948 /nfs/dbraw/zinc/19/89/48/606198948.db2.gz WBTJRLCZAXLBOI-UHFFFAOYSA-N -1 3 347.422 3.572 20 30 EHEDHM O=C(C=Cc1cc2ccccc2s1)c1cccc(-c2nnn[n-]2)c1 ZINC000822924213 606933438 /nfs/dbraw/zinc/93/34/38/606933438.db2.gz ZAVKINQNLSRDBP-CMDGGOBGSA-N -1 3 332.388 3.978 20 30 EHEDHM O=C(C=Cc1cc2ccccc2s1)c1cccc(-c2nn[n-]n2)c1 ZINC000822924213 606933440 /nfs/dbraw/zinc/93/34/40/606933440.db2.gz ZAVKINQNLSRDBP-CMDGGOBGSA-N -1 3 332.388 3.978 20 30 EHEDHM Clc1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)c2ncccc12 ZINC000822573568 607147156 /nfs/dbraw/zinc/14/71/56/607147156.db2.gz AZOQBEAKYBVEBC-UHFFFAOYSA-N -1 3 349.785 3.514 20 30 EHEDHM Cc1c2ccccc2oc1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826234039 607884177 /nfs/dbraw/zinc/88/41/77/607884177.db2.gz FSVIAYDLJTVVGK-KHPPLWFESA-N -1 3 330.347 3.817 20 30 EHEDHM Cc1c2ccccc2oc1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826234039 607884178 /nfs/dbraw/zinc/88/41/78/607884178.db2.gz FSVIAYDLJTVVGK-KHPPLWFESA-N -1 3 330.347 3.817 20 30 EHEDHM O=C1c2cc(Cl)ccc2CCC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000826476041 608048370 /nfs/dbraw/zinc/04/83/70/608048370.db2.gz ZNCORHDJPRSEJS-JYRVWZFOSA-N -1 3 336.782 3.733 20 30 EHEDHM O=C1c2cc(Cl)ccc2CCC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000826476041 608048371 /nfs/dbraw/zinc/04/83/71/608048371.db2.gz ZNCORHDJPRSEJS-JYRVWZFOSA-N -1 3 336.782 3.733 20 30 EHEDHM O=C1c2cccc3c2[C@@H](CCC3)C1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000826475510 608109754 /nfs/dbraw/zinc/10/97/54/608109754.db2.gz IHVQIJRHHCVZNA-FSEGOYHTSA-N -1 3 346.365 3.706 20 30 EHEDHM O=C1c2cccc3c2[C@@H](CCC3)C1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000826475510 608109755 /nfs/dbraw/zinc/10/97/55/608109755.db2.gz IHVQIJRHHCVZNA-FSEGOYHTSA-N -1 3 346.365 3.706 20 30 EHEDHM N#Cc1ccccc1CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000826387331 608206472 /nfs/dbraw/zinc/20/64/72/608206472.db2.gz PYPFUJJFQXBLCK-UHFFFAOYSA-N -1 3 327.800 3.684 20 30 EHEDHM N#Cc1ccccc1CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000826387331 608206473 /nfs/dbraw/zinc/20/64/73/608206473.db2.gz PYPFUJJFQXBLCK-UHFFFAOYSA-N -1 3 327.800 3.684 20 30 EHEDHM C[C@H]1CC(C)(C)CCC1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824877389 608538784 /nfs/dbraw/zinc/53/87/84/608538784.db2.gz XZPMEUXFTNLIIJ-VIFPVBQESA-N -1 3 333.827 3.529 20 30 EHEDHM C[C@H]1CC(C)(C)CCC1N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824877389 608538785 /nfs/dbraw/zinc/53/87/85/608538785.db2.gz XZPMEUXFTNLIIJ-VIFPVBQESA-N -1 3 333.827 3.529 20 30 EHEDHM CSc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826230828 609269803 /nfs/dbraw/zinc/26/98/03/609269803.db2.gz LCBANLAUSXUNHM-WTKPLQERSA-N -1 3 340.383 3.624 20 30 EHEDHM CSc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826230828 609269804 /nfs/dbraw/zinc/26/98/04/609269804.db2.gz LCBANLAUSXUNHM-WTKPLQERSA-N -1 3 340.383 3.624 20 30 EHEDHM CCc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000825705144 609273604 /nfs/dbraw/zinc/27/36/04/609273604.db2.gz WZHSEEPBVCNATJ-VURMDHGXSA-N -1 3 328.372 3.526 20 30 EHEDHM CCc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000825705144 609273605 /nfs/dbraw/zinc/27/36/05/609273605.db2.gz WZHSEEPBVCNATJ-VURMDHGXSA-N -1 3 328.372 3.526 20 30 EHEDHM CSc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1F ZINC000821979538 945911963 /nfs/dbraw/zinc/91/19/63/945911963.db2.gz SZANVUOXEWQDJR-ONEGZZNKSA-N -1 3 346.412 3.685 20 30 EHEDHM CSc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1F ZINC000821979538 945911974 /nfs/dbraw/zinc/91/19/74/945911974.db2.gz SZANVUOXEWQDJR-ONEGZZNKSA-N -1 3 346.412 3.685 20 30 EHEDHM O=C(C=Cc1ccc(Cl)c(F)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400480 948217404 /nfs/dbraw/zinc/21/74/04/948217404.db2.gz ZZXCXJRCNNYIQF-KXFIGUGUSA-N -1 3 346.724 3.694 20 30 EHEDHM O=C(C=Cc1ccc(Cl)c(F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400480 948217413 /nfs/dbraw/zinc/21/74/13/948217413.db2.gz ZZXCXJRCNNYIQF-KXFIGUGUSA-N -1 3 346.724 3.694 20 30 EHEDHM C#CC[C@H](NCc1ccc(C(=O)[O-])c2cccnc12)c1ccccc1 ZINC001573303189 962671784 /nfs/dbraw/zinc/67/17/84/962671784.db2.gz LGIWSASZDXKJEO-IBGZPJMESA-N -1 3 330.387 3.787 20 30 EHEDHM CC(C)c1[nH]c(CN[C@@H]2CCCc3cc(C#N)ccc32)cc1C(=O)[O-] ZINC001591916505 976366263 /nfs/dbraw/zinc/36/62/63/976366263.db2.gz MEEHBZHEVQGTAC-GOSISDBHSA-N -1 3 337.423 3.875 20 30 EHEDHM CC[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(C)c(F)c1 ZINC001595277755 980308677 /nfs/dbraw/zinc/30/86/77/980308677.db2.gz ZZBRDEGLEIWJJF-QZTJIDSGSA-N -1 3 326.371 3.872 20 30 EHEDHM Cc1ccccc1-c1cc(=NC(=O)c2ccc(Cl)c(C#N)c2)[nH][n-]1 ZINC000578051550 1015028774 /nfs/dbraw/zinc/02/87/74/1015028774.db2.gz HGCZQOZDORSLDX-UHFFFAOYSA-N -1 3 336.782 3.584 20 30 EHEDHM C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001593219058 994294861 /nfs/dbraw/zinc/29/48/61/994294861.db2.gz LTCFUSSVZWEVFO-XIKOKIGWSA-N -1 3 336.391 3.690 20 30 EHEDHM N#Cc1csc(C(=O)[N-]c2c(F)cc(Br)cc2F)c1 ZINC000084114131 1020924092 /nfs/dbraw/zinc/92/40/92/1020924092.db2.gz OZANSRHBISWCCA-UHFFFAOYSA-N -1 3 343.152 3.913 20 30 EHEDHM CCOc1ccc(N(CCC#N)C(=O)c2cccc(CC)c2[O-])cc1 ZINC000094106105 1032950689 /nfs/dbraw/zinc/95/06/89/1032950689.db2.gz YLMXBOHXGFRRTP-UHFFFAOYSA-N -1 3 338.407 3.914 20 30 EHEDHM N#Cc1cccc(C2(C(=O)Nc3ccc([O-])c(C(F)(F)F)c3)CC2)c1 ZINC000476172878 1033018899 /nfs/dbraw/zinc/01/88/99/1033018899.db2.gz UFHQFRXMSYCXPV-UHFFFAOYSA-N -1 3 346.308 3.953 20 30 EHEDHM C=CCC1([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)CCCCC1 ZINC001211861443 1022644037 /nfs/dbraw/zinc/64/40/37/1022644037.db2.gz MESCIMYYVKSQOZ-UHFFFAOYSA-N -1 3 349.283 3.946 20 30 EHEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000473758493 1022693722 /nfs/dbraw/zinc/69/37/22/1022693722.db2.gz BKWTWQAXJJDCOJ-UHFFFAOYSA-N -1 3 334.894 3.851 20 30 EHEDHM COc1cc(/C=C\C(=O)c2cncc(C)c2)cc(Br)c1[O-] ZINC000588476438 1023788287 /nfs/dbraw/zinc/78/82/87/1023788287.db2.gz MOWLLBVGALDCJW-ARJAWSKDSA-N -1 3 348.196 3.763 20 30 EHEDHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c(C)c1 ZINC000435716931 1025102162 /nfs/dbraw/zinc/10/21/62/1025102162.db2.gz JAQMFISYTULXGT-UHFFFAOYSA-N -1 3 344.436 3.765 20 30 EHEDHM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000531082420 1026547449 /nfs/dbraw/zinc/54/74/49/1026547449.db2.gz XVRYYBSVDAELLR-UHFFFAOYSA-N -1 3 344.436 3.702 20 30 EHEDHM Cc1csc(C(C#N)=C([O-])c2ccc(NC(=O)[C@@H]3C[C@H]3C)cc2)n1 ZINC000248766799 1028948169 /nfs/dbraw/zinc/94/81/69/1028948169.db2.gz OAOOZTBHXMOETC-VCTAVGKDSA-N -1 3 339.420 3.536 20 30 EHEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1C ZINC000524445354 1029195364 /nfs/dbraw/zinc/19/53/64/1029195364.db2.gz AKEICKLILUVGGG-UHFFFAOYSA-N -1 3 344.436 3.763 20 30 EHEDHM [O-]c1cccc(/C=N/c2cccc(-c3nnc4n3CCCCC4)c2)c1O ZINC000022728052 1030415914 /nfs/dbraw/zinc/41/59/14/1030415914.db2.gz DMHKQSCMGZSBBE-FYJGNVAPSA-N -1 3 348.406 3.833 20 30 EHEDHM Cn1nc(C(C)(C)C)cc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000483214346 1031041384 /nfs/dbraw/zinc/04/13/84/1031041384.db2.gz NJVCPUIFRMSTRR-OAHLLOKOSA-N -1 3 332.407 3.756 20 30 EHEDHM CCN(C(=O)Cc1ccc([O-])c(F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000448777924 1031667084 /nfs/dbraw/zinc/66/70/84/1031667084.db2.gz QMHMWJNULKACOJ-ZDUSSCGKSA-N -1 3 326.371 3.555 20 30 EHEDHM CCc1cccc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1[O-] ZINC000091990178 1034725126 /nfs/dbraw/zinc/72/51/26/1034725126.db2.gz XEJBWZSVDZMQFN-OALUTQOASA-N -1 3 334.419 3.867 20 30 EHEDHM COc1ccccc1C(C)=CC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000066629086 1036019104 /nfs/dbraw/zinc/01/91/04/1036019104.db2.gz ZQMSEQJQDYGTBT-BQYQJAHWSA-N -1 3 326.278 3.524 20 30 EHEDHM COc1ccccc1C(C)=CC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000066629086 1036019115 /nfs/dbraw/zinc/01/91/15/1036019115.db2.gz ZQMSEQJQDYGTBT-BQYQJAHWSA-N -1 3 326.278 3.524 20 30 EHEDHM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000464415756 1036418241 /nfs/dbraw/zinc/41/82/41/1036418241.db2.gz AWXUDJFNIHEWGQ-CYBMUJFWSA-N -1 3 335.256 3.600 20 30 EHEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(CC)ccc1[O-] ZINC000573116898 1037292428 /nfs/dbraw/zinc/29/24/28/1037292428.db2.gz FRFJZLXBJUCQKZ-UHFFFAOYSA-N -1 3 341.455 3.951 20 30 EHEDHM CC(C)n1ncc2c1nc(C1CC1)cc2C([O-])=C(C#N)c1ccccn1 ZINC000041493454 1038098369 /nfs/dbraw/zinc/09/83/69/1038098369.db2.gz PEQIZRBRPJRORY-HNNXBMFYSA-N -1 3 345.406 3.775 20 30 EHEDHM Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CC(C)(C)CC#N ZINC000416532553 1038743273 /nfs/dbraw/zinc/74/32/73/1038743273.db2.gz RPVZLFGWOZCABU-UHFFFAOYSA-N -1 3 340.832 3.613 20 30 EHEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(CSC2CCCC2)c1 ZINC000416954011 1039260476 /nfs/dbraw/zinc/26/04/76/1039260476.db2.gz LCGUPWPNQAXTNO-INIZCTEOSA-N -1 3 338.498 3.906 20 30 EHEDHM N#CCCSc1ccccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417043677 1039360111 /nfs/dbraw/zinc/36/01/11/1039360111.db2.gz XMLKPRKKRRZHLB-UHFFFAOYSA-N -1 3 326.425 3.677 20 30 EHEDHM CCc1nnsc1C(=O)[N-]c1sc2c(c1C#N)C(C)(C)CC2 ZINC000906260334 1039441550 /nfs/dbraw/zinc/44/15/50/1039441550.db2.gz VDKGJSIGVXVCLL-UHFFFAOYSA-N -1 3 332.454 3.510 20 30 EHEDHM CC1(C)CCc2sc([N-]C(=O)c3coc(C4CC4)n3)c(C#N)c21 ZINC000906262906 1039445297 /nfs/dbraw/zinc/44/52/97/1039445297.db2.gz QKPHLOWPWGQWTC-UHFFFAOYSA-N -1 3 327.409 3.961 20 30 EHEDHM C=CCN(C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)C(C)C ZINC000906565488 1039649744 /nfs/dbraw/zinc/64/97/44/1039649744.db2.gz AUXZWWUSSUVLFL-UHFFFAOYSA-N -1 3 325.434 3.527 20 30 EHEDHM CCCCC[C@H]1CCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000489309258 1039817552 /nfs/dbraw/zinc/81/75/52/1039817552.db2.gz CDMJSJARPCAVSD-INIZCTEOSA-N -1 3 343.471 3.780 20 30 EHEDHM C=C[C@@H](CCC(=O)[O-])NCc1ccc(-c2ccccc2)cc1OC ZINC000417604330 1040054582 /nfs/dbraw/zinc/05/45/82/1040054582.db2.gz BJAAWFMGVLJQNW-SFHVURJKSA-N -1 3 325.408 3.871 20 30 EHEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@H](c1ccccc1)N1CCOCC1 ZINC000912961596 1040480818 /nfs/dbraw/zinc/48/08/18/1040480818.db2.gz CGLRUUBPOKQOKM-LZAZYHHXSA-N -1 3 344.842 3.538 20 30 EHEDHM CCNc1ccc(C#N)cc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000586797053 1041031046 /nfs/dbraw/zinc/03/10/46/1041031046.db2.gz IKPUPSVSXQKQRD-UHFFFAOYSA-N -1 3 341.386 3.796 20 30 EHEDHM CCCCCCN([O-])C(=O)c1ncoc1-c1ccc2c(c1)OCCO2 ZINC001649056987 1128057557 /nfs/dbraw/zinc/05/75/57/1128057557.db2.gz NNLQXJLVGKOYQY-UHFFFAOYSA-N -1 3 346.383 3.525 20 30 EHEDHM CCCCCCN([O-])C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC001649057051 1128058641 /nfs/dbraw/zinc/05/86/41/1128058641.db2.gz OTNZOHQQFATZDE-UHFFFAOYSA-N -1 3 342.417 3.737 20 30 EHEDHM CCCCOc1ccc(C(=O)NCc2ccc(CC#N)cc2)c([O-])c1 ZINC001648862917 1120056942 /nfs/dbraw/zinc/05/69/42/1120056942.db2.gz VHFBEGFWDXPQPY-UHFFFAOYSA-N -1 3 338.407 3.567 20 30 EHEDHM Cc1cc(=O)[n-]c(CSc2nc(-c3ccccc3)ccc2C#N)n1 ZINC000761866409 1120999052 /nfs/dbraw/zinc/99/90/52/1120999052.db2.gz SECKARKEQKFJJK-UHFFFAOYSA-N -1 3 334.404 3.717 20 30 EHEDHM COc1ccc(/C=C\C(=O)c2cc(OC)c([O-])cc2OC)c(Cl)c1 ZINC000763104844 1121682535 /nfs/dbraw/zinc/68/25/35/1121682535.db2.gz GVTBNCPYPAZAGE-ALCCZGGFSA-N -1 3 348.782 3.968 20 30 EHEDHM Cc1ncc(CO)c(/C=N\[C@H](C)c2ccccc2OC(C)C)c1[O-] ZINC000915982246 1122007307 /nfs/dbraw/zinc/00/73/07/1122007307.db2.gz UEUGHLXYKNKAFB-CROSZVBWSA-N -1 3 328.412 3.555 20 30 EHEDHM CCN1C(=O)C(=NN=Cc2c([O-])ccc3ccccc32)c2ccccc21 ZINC000916277371 1122116136 /nfs/dbraw/zinc/11/61/36/1122116136.db2.gz FNFVRPUGPMSYQV-UHFFFAOYSA-N -1 3 343.386 3.735 20 30 EHEDHM CCc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)s1 ZINC000916912594 1122393156 /nfs/dbraw/zinc/39/31/56/1122393156.db2.gz RMLDYJKKAOGQBX-LLVKDONJSA-N -1 3 332.812 3.925 20 30 EHEDHM COCCOc1cccc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)c1 ZINC000917143367 1122536847 /nfs/dbraw/zinc/53/68/47/1122536847.db2.gz JBXIMKZWJVXNBX-PKVLTRFUSA-N -1 3 342.366 3.940 20 30 EHEDHM N#Cc1ccc(CNC(=O)CCCc2ccc([O-])c(F)c2)cc1Cl ZINC000619780306 1125403161 /nfs/dbraw/zinc/40/31/61/1125403161.db2.gz INBXURVBUVCPAZ-UHFFFAOYSA-N -1 3 346.789 3.695 20 30 EHEDHM Cc1ncc(CO)c(/C=N\CC(C)(C)c2ccccc2Cl)c1[O-] ZINC000727973221 1130615950 /nfs/dbraw/zinc/61/59/50/1130615950.db2.gz 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EHEDHM C=CCC(CC=C)C(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823888391 608341615 /nfs/dbraw/zinc/34/16/15/608341615.db2.gz LDWBTXOQLLAYET-UHFFFAOYSA-N -1 3 345.834 3.641 20 30 EHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000826401291 608875072 /nfs/dbraw/zinc/87/50/72/608875072.db2.gz UVUKBTDNMAIQSP-VURMDHGXSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC000826401291 608875074 /nfs/dbraw/zinc/87/50/74/608875074.db2.gz UVUKBTDNMAIQSP-VURMDHGXSA-N -1 3 328.734 3.555 20 30 EHEDHM Cc1[nH]c2ccccc2c1C(=O)C=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826233856 608876815 /nfs/dbraw/zinc/87/68/15/608876815.db2.gz XXGIBLKAXFYHLI-CLFYSBASSA-N -1 3 347.353 3.692 20 30 EHEDHM Cc1[nH]c2ccccc2c1C(=O)C=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826233856 608876817 /nfs/dbraw/zinc/87/68/17/608876817.db2.gz XXGIBLKAXFYHLI-CLFYSBASSA-N -1 3 347.353 3.692 20 30 EHEDHM Cc1cc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc(C)c1F ZINC000826257218 608880177 /nfs/dbraw/zinc/88/01/77/608880177.db2.gz SUTCDRYYPJLCBP-GQCTYLIASA-N -1 3 340.333 3.658 20 30 EHEDHM Cc1cc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc(C)c1F ZINC000826257218 608880180 /nfs/dbraw/zinc/88/01/80/608880180.db2.gz SUTCDRYYPJLCBP-GQCTYLIASA-N -1 3 340.333 3.658 20 30 EHEDHM CC(C)(C#N)CCSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824059510 609449881 /nfs/dbraw/zinc/44/98/81/609449881.db2.gz YYICYOSTJURRNA-UHFFFAOYSA-N -1 3 341.362 3.917 20 30 EHEDHM CC(C)(C#N)CCSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824059510 609449884 /nfs/dbraw/zinc/44/98/84/609449884.db2.gz YYICYOSTJURRNA-UHFFFAOYSA-N -1 3 341.362 3.917 20 30 EHEDHM C=C[C@H](CC)CC(=O)Nc1sc2c(c1-c1nnn[n-]1)C(C)(C)CC2 ZINC001573314583 947236189 /nfs/dbraw/zinc/23/61/89/947236189.db2.gz CZFSKWBXWPMUST-SNVBAGLBSA-N -1 3 345.472 3.693 20 30 EHEDHM C=C[C@H](CC)CC(=O)Nc1sc2c(c1-c1nn[n-]n1)C(C)(C)CC2 ZINC001573314583 947236199 /nfs/dbraw/zinc/23/61/99/947236199.db2.gz CZFSKWBXWPMUST-SNVBAGLBSA-N -1 3 345.472 3.693 20 30 EHEDHM O=C(C=Cc1cc2ccccc2o1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826399617 948215041 /nfs/dbraw/zinc/21/50/41/948215041.db2.gz AOOKVNWEDUBANB-VURMDHGXSA-N -1 3 334.310 3.648 20 30 EHEDHM O=C(C=Cc1cc2ccccc2o1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826399617 948215050 /nfs/dbraw/zinc/21/50/50/948215050.db2.gz AOOKVNWEDUBANB-VURMDHGXSA-N -1 3 334.310 3.648 20 30 EHEDHM N#CC(=C([O-])C=Cc1cccnc1)c1nc2ccccc2n1C(F)F ZINC000254950495 1015219404 /nfs/dbraw/zinc/21/94/04/1015219404.db2.gz GMKNRYGFQWLBCA-MEJMFZKBSA-N -1 3 338.317 3.716 20 30 EHEDHM CC(C)(C)c1noc(-c2ccccc2C([O-])=C(C#N)c2ccccn2)n1 ZINC000182711022 1032123679 /nfs/dbraw/zinc/12/36/79/1032123679.db2.gz YSOFJHDNYZQAIJ-OAHLLOKOSA-N -1 3 346.390 3.919 20 30 EHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cnc(CC4CC4)s3)nc21 ZINC000892703240 1016915869 /nfs/dbraw/zinc/91/58/69/1016915869.db2.gz IJLZDCWBJRBIRI-LBPRGKRZSA-N -1 3 336.420 3.770 20 30 EHEDHM Cc1cc(C(=O)/C=C/c2ccc(N3CCC(O)CC3)cc2)ccc1[O-] ZINC000905072326 1032341172 /nfs/dbraw/zinc/34/11/72/1032341172.db2.gz MAWMCBHOMWUXCK-XBXARRHUSA-N -1 3 337.419 3.558 20 30 EHEDHM Cc1conc1C(=O)[N-]c1sc2c(c1C#N)CC[C@@H](C(C)C)C2 ZINC000602339848 1032813485 /nfs/dbraw/zinc/81/34/85/1032813485.db2.gz CAHCMJAQHCCXDO-LLVKDONJSA-N -1 3 329.425 3.929 20 30 EHEDHM N#Cc1ccc(C(=O)[N-]c2nc(-c3cccs3)ns2)c(F)c1 ZINC001266672802 1020378890 /nfs/dbraw/zinc/37/88/90/1020378890.db2.gz NNAHNPFMNQLXAD-UHFFFAOYSA-N -1 3 330.369 3.530 20 30 EHEDHM Cc1nc(-c2cccc(N=Cc3ccc(O)c([O-])c3O)c2)cs1 ZINC000255293539 1020718099 /nfs/dbraw/zinc/71/80/99/1020718099.db2.gz GYHFJBOWYOASMQ-UHFFFAOYSA-N -1 3 326.377 3.986 20 30 EHEDHM C[C@@H](C(=O)[N-][C@@H](C#N)c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000080176673 1033116876 /nfs/dbraw/zinc/11/68/76/1033116876.db2.gz JZQUETLSEHRMGC-WKEGUHRASA-N -1 3 325.117 3.873 20 30 EHEDHM C[C@@]1(C#N)CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000598417914 1033205179 /nfs/dbraw/zinc/20/51/79/1033205179.db2.gz OOKJGYRJJRYFSI-NRFANRHFSA-N -1 3 334.419 3.553 20 30 EHEDHM CCCC[C@@H](/N=C/c1c([O-])c(C)ncc1CO)c1ccc(OC)cc1 ZINC000728438105 1024447941 /nfs/dbraw/zinc/44/79/41/1024447941.db2.gz PAZPEJNLASAHPN-VVJWVBNBSA-N -1 3 342.439 3.947 20 30 EHEDHM CCCC[C@@H](CCC)CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000084825993 1025147212 /nfs/dbraw/zinc/14/72/12/1025147212.db2.gz CSMQHQOLWGUEIF-MRXNPFEDSA-N -1 3 345.487 3.519 20 30 EHEDHM C=CCn1c(SCc2ncccc2[O-])nnc1-c1cccc(C)c1 ZINC000521965256 1025819313 /nfs/dbraw/zinc/81/93/13/1025819313.db2.gz WVUZVOCYKNCKBE-UHFFFAOYSA-N -1 3 338.436 3.832 20 30 EHEDHM COCc1nocc1C(=O)[N-]c1sc2c(c1C#N)C[C@@H](C)C[C@@H]2C ZINC000425604404 1026047867 /nfs/dbraw/zinc/04/78/67/1026047867.db2.gz KGNYJLLUMHPISP-UWVGGRQHSA-N -1 3 345.424 3.692 20 30 EHEDHM N#CCCC[C@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC000452137023 1026508029 /nfs/dbraw/zinc/50/80/29/1026508029.db2.gz BDZWTNOPWFTBAS-KRWDZBQOSA-N -1 3 326.371 3.625 20 30 EHEDHM N#CCCC[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000458426103 1029223620 /nfs/dbraw/zinc/22/36/20/1029223620.db2.gz SYWZUTHGYJSXLY-QGZVFWFLSA-N -1 3 341.386 3.766 20 30 EHEDHM CCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c(C)c1 ZINC000524850740 1029562606 /nfs/dbraw/zinc/56/26/06/1029562606.db2.gz JROPIJMEWLGRGR-UHFFFAOYSA-N -1 3 344.436 3.765 20 30 EHEDHM C=CC[C@H]1N(C(=O)c2cc(OC)c([O-])c(OC)c2)CCCC1(C)C ZINC000278209105 1029666808 /nfs/dbraw/zinc/66/68/08/1029666808.db2.gz SSFRCPDLOGZRKA-MRXNPFEDSA-N -1 3 333.428 3.616 20 30 EHEDHM C[C@@H]1C[C@H](C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CCC1=O ZINC000904179711 1031802594 /nfs/dbraw/zinc/80/25/94/1031802594.db2.gz BKFKELZLSZEKEY-MWLCHTKSSA-N -1 3 330.211 3.717 20 30 EHEDHM CCCCCCN([O-])C(=O)C1CCC(NC(=O)C(C)(C)C)CC1 ZINC000904204691 1031851639 /nfs/dbraw/zinc/85/16/39/1031851639.db2.gz QKFMBAQUIDUMRS-UHFFFAOYSA-N -1 3 326.481 3.506 20 30 EHEDHM COc1ccc2c(c1)C(=O)/C(=C\c1cc(Cl)c([O-])c(OC)c1)C2 ZINC000176938823 1033671148 /nfs/dbraw/zinc/67/11/48/1033671148.db2.gz ADFVTVAUEREOIE-XGICHPGQSA-N -1 3 330.767 3.885 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)[C@H]1CCC[C@@H](C)C1 ZINC000456999125 1035628630 /nfs/dbraw/zinc/62/86/30/1035628630.db2.gz KDMVCYIZJHJDCL-INWMFGNUSA-N -1 3 343.471 3.539 20 30 EHEDHM Cc1csc(C(C#N)=C([O-])c2ccc([C@@H]3CCCOC3)cc2)n1 ZINC000540947053 1035846726 /nfs/dbraw/zinc/84/67/26/1035846726.db2.gz OLQBAGRUPYSNHW-CVEARBPZSA-N -1 3 326.421 3.836 20 30 EHEDHM N#Cc1c([N-]C(=O)c2cnc([C@@H]3CCCO3)s2)sc2c1CCC2 ZINC000089720349 1036339744 /nfs/dbraw/zinc/33/97/44/1036339744.db2.gz RRXNHPBLWJOXQB-NSHDSACASA-N -1 3 345.449 3.669 20 30 EHEDHM Cc1cc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)ccc1C#N ZINC000432711895 1038885048 /nfs/dbraw/zinc/88/50/48/1038885048.db2.gz ZXLPSKRDCRSGBM-UYRXBGFRSA-N -1 3 327.387 3.733 20 30 EHEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(COc2ccccc2)c1C ZINC000416952810 1039259415 /nfs/dbraw/zinc/25/94/15/1039259415.db2.gz JQMAHJMYFAUSPQ-KRWDZBQOSA-N -1 3 344.436 3.618 20 30 EHEDHM N#C[C@]1(C(=O)Nc2cc(Br)ccc2[O-])CC2CCC1CC2 ZINC000907147090 1039943370 /nfs/dbraw/zinc/94/33/70/1039943370.db2.gz WDWFZOLNVLYBHQ-CLIRUNRCSA-N -1 3 349.228 3.813 20 30 EHEDHM COc1cc(/C=C/C(=O)c2ccnn2CC2CCC2)cc(Cl)c1[O-] ZINC000899414082 1040475455 /nfs/dbraw/zinc/47/54/55/1040475455.db2.gz HOLSMPJMQYUJFI-AATRIKPKSA-N -1 3 346.814 3.947 20 30 EHEDHM Cc1noc(C(C)C)c1C(=O)[N-]c1cc(C#N)cc([N+](=O)[O-])c1Cl ZINC000764302949 1127475480 /nfs/dbraw/zinc/47/54/80/1127475480.db2.gz UEZXHMJXVCKRFL-UHFFFAOYSA-N -1 3 348.746 3.792 20 30 EHEDHM Cc1cc(/N=C/c2cccc([O-])c2O)ccc1OC1CCOCC1 ZINC000265583080 1127790309 /nfs/dbraw/zinc/79/03/09/1127790309.db2.gz NNXDSNDRFRRRDF-UDWIEESQSA-N -1 3 327.380 3.715 20 30 EHEDHM Cn1cc(C(=O)N([O-])Cc2ccccc2Cl)c(C(F)(F)F)c1 ZINC001649045981 1127996517 /nfs/dbraw/zinc/99/65/17/1127996517.db2.gz IAPYIIHNBDXQRL-UHFFFAOYSA-N -1 3 332.709 3.729 20 30 EHEDHM O=C(C1=Cc2ccccc2O[C@H]1C(F)F)N([O-])Cc1ccc(F)cc1 ZINC001649075756 1128152989 /nfs/dbraw/zinc/15/29/89/1128152989.db2.gz DUPUPSJRLYEIDO-MRXNPFEDSA-N -1 3 349.308 3.653 20 30 EHEDHM C[C@](C#N)(CCc1ccccc1)[N-]C(=O)C(F)(F)c1ccccc1F ZINC000765791728 1128369548 /nfs/dbraw/zinc/36/95/48/1128369548.db2.gz RYIUYTXUTFVHOO-GOSISDBHSA-N -1 3 346.352 3.949 20 30 EHEDHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000111210728 1128850708 /nfs/dbraw/zinc/85/07/08/1128850708.db2.gz CJTFWWKRAZWPBO-QGZVFWFLSA-N -1 3 344.798 3.959 20 30 EHEDHM N#CC(=C([O-])c1ccc(Cl)nc1)c1nc2ccccc2n1C(F)F ZINC000915107223 1121197281 /nfs/dbraw/zinc/19/72/81/1121197281.db2.gz OBLAUKSOSOSITD-SNVBAGLBSA-N -1 3 346.724 3.970 20 30 EHEDHM COc1cc(C(=O)/C=C/c2nccc3ccccc23)c(OC)cc1[O-] ZINC000763104739 1121682820 /nfs/dbraw/zinc/68/28/20/1121682820.db2.gz FSFDXCJRXUGWAT-BQYQJAHWSA-N -1 3 335.359 3.854 20 30 EHEDHM Cc1ccc(-n2ncc(C#N)c2Nc2cc(F)cc(F)c2[O-])cc1 ZINC001212477576 1129073811 /nfs/dbraw/zinc/07/38/11/1129073811.db2.gz INRLROMTAVEHQX-UHFFFAOYSA-N -1 3 326.306 3.780 20 30 EHEDHM CCCCCCCCCN(C)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000920939763 1123440653 /nfs/dbraw/zinc/44/06/53/1123440653.db2.gz LFZGLZFPSDUETI-UHFFFAOYSA-N -1 3 345.443 3.785 20 30 EHEDHM N#Cc1c([N-]C(=O)c2occc2Br)sc2c1CCC2 ZINC000080939089 1129389107 /nfs/dbraw/zinc/38/91/07/1129389107.db2.gz JEHCOSVTUJUXID-UHFFFAOYSA-N -1 3 337.198 3.716 20 30 EHEDHM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1ccccc1[N+](=O)[O-] ZINC000076638277 1129791677 /nfs/dbraw/zinc/79/16/77/1129791677.db2.gz SSLAADVOPASFSJ-UHFFFAOYSA-N -1 3 343.730 3.670 20 30 EHEDHM CC(C)[C@@H]1C[C@@H](/N=C/c2cc(Br)ccc2[O-])CCO1 ZINC000771522013 1133570157 /nfs/dbraw/zinc/57/01/57/1133570157.db2.gz WVAIIEQYGPFDPZ-ZYGDNQFUSA-N -1 3 326.234 3.777 20 30 EHEDHM Cn1nc(C(=O)N([O-])Cc2cccc3ccccc32)cc1C(F)F ZINC001184340094 1133929735 /nfs/dbraw/zinc/92/97/35/1133929735.db2.gz KLMRIPBLAWBOMP-UHFFFAOYSA-N -1 3 331.322 3.543 20 30 EHEDHM O=C(Cc1c[nH]c2cnccc12)N([O-])Cc1cccc2ccccc21 ZINC001184339092 1133929745 /nfs/dbraw/zinc/92/97/45/1133929745.db2.gz CARXPRWEIXCFLF-UHFFFAOYSA-N -1 3 331.375 3.677 20 30 EHEDHM O=C(c1cnc2cnccc2c1)N([O-])Cc1cccc2ccccc21 ZINC001184341359 1133930370 /nfs/dbraw/zinc/93/03/70/1133930370.db2.gz YEGDSMXVADFRLA-UHFFFAOYSA-N -1 3 329.359 3.815 20 30 EHEDHM CC(=NNc1ccc2c(cc[nH]c2=O)c1)c1cc(Cl)ccc1[O-] ZINC000789076980 1134218471 /nfs/dbraw/zinc/21/84/71/1134218471.db2.gz PGZXZWOKICZLGH-UHFFFAOYSA-N -1 3 327.771 3.723 20 30 EHEDHM COc1ncc(C(=O)/C=C/c2c(F)ccc([O-])c2F)cc1Cl ZINC000789158796 1134232553 /nfs/dbraw/zinc/23/25/53/1134232553.db2.gz YKHSZXWXPQHEKG-DUXPYHPUSA-N -1 3 325.698 3.624 20 30 EHEDHM COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001188146379 1134433969 /nfs/dbraw/zinc/43/39/69/1134433969.db2.gz LWTGTHBGDCUZIM-UHFFFAOYSA-N -1 3 337.162 3.832 20 30 EHEDHM [O-]c1ccc(Br)cc1C=Nc1nc2cc(F)ccc2[nH]1 ZINC000775235454 1134570165 /nfs/dbraw/zinc/57/01/65/1134570165.db2.gz UVPSSQWVHKPFKZ-UHFFFAOYSA-N -1 3 334.148 3.921 20 30 EHEDHM C#CC[C@@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccccc1 ZINC000775401727 1134728131 /nfs/dbraw/zinc/72/81/31/1134728131.db2.gz YOIDXWSVAZSKJN-MRXNPFEDSA-N -1 3 343.386 3.936 20 30 EHEDHM C=CCN(Cc1nnc(-c2ccccc2[O-])o1)Cc1cccc(C#N)c1 ZINC001190643916 1134730737 /nfs/dbraw/zinc/73/07/37/1134730737.db2.gz QOFVWTIBQAUXSF-UHFFFAOYSA-N -1 3 346.390 3.502 20 30 EHEDHM O=C(C/N=C/c1cc(Cl)ccc1[O-])Nc1ccc(F)c(F)c1F ZINC000005290809 1134919770 /nfs/dbraw/zinc/91/97/70/1134919770.db2.gz BPHZTSRBHDVCFU-CGOBSMCZSA-N -1 3 342.704 3.521 20 30 EHEDHM Cc1ccc(C(C)(C)C/N=C/c2c([O-])c(C)ncc2CO)c(C)c1 ZINC000793653178 1134970358 /nfs/dbraw/zinc/97/03/58/1134970358.db2.gz DRNUPYGIFYKOPZ-UFFVCSGVSA-N -1 3 326.440 3.601 20 30 EHEDHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C#N)c(C)c2)c(C)c1C ZINC001194864291 1135331232 /nfs/dbraw/zinc/33/12/32/1135331232.db2.gz KMWAQGLFFKVSCJ-UHFFFAOYSA-N -1 3 344.436 3.601 20 30 EHEDHM [O-]c1ccc(Br)cc1/C=N/Cc1noc2c1CCCC2 ZINC000806552777 1135456616 /nfs/dbraw/zinc/45/66/16/1135456616.db2.gz YOHMUQZPURJJRL-CAOOACKPSA-N -1 3 335.201 3.641 20 30 EHEDHM N#Cc1cc(NC(=O)c2c(Cl)cc(Cl)nc2Cl)ccc1[O-] ZINC001195918002 1135491099 /nfs/dbraw/zinc/49/10/99/1135491099.db2.gz DVEKRWZODUJNPT-UHFFFAOYSA-N -1 3 342.569 3.871 20 30 EHEDHM Cc1noc(C(C)C)c1C(=O)[N-]c1c(C#N)cnnc1-c1ccccc1 ZINC001197351732 1135676613 /nfs/dbraw/zinc/67/66/13/1135676613.db2.gz OJXHEYGGRGMMBQ-UHFFFAOYSA-N -1 3 347.378 3.687 20 30 EHEDHM CN(C)C(=O)c1cccc(Nc2ccc(C(F)(F)F)cc2C#N)c1[O-] ZINC001201699520 1136054500 /nfs/dbraw/zinc/05/45/00/1136054500.db2.gz RWVTWQVRZQSSQT-UHFFFAOYSA-N -1 3 349.312 3.728 20 30 EHEDHM Cc1ccc(-c2nnc([C@H](C)OC(=O)c3cc([O-])cc(C#N)c3)o2)cc1 ZINC000811185946 1136056180 /nfs/dbraw/zinc/05/61/80/1136056180.db2.gz XQLDYNMESMSVPG-LBPRGKRZSA-N -1 3 349.346 3.540 20 30 EHEDHM CC(=O)c1c(C)cc(C)c(COC(=O)c2cc([O-])cc(C#N)c2)c1C ZINC000776280496 1136135416 /nfs/dbraw/zinc/13/54/16/1136135416.db2.gz RSAPOBFAEPTKFK-UHFFFAOYSA-N -1 3 337.375 3.749 20 30 EHEDHM CC(=N[N-]c1ccc(C)c[nH+]1)c1oc2cc(C)ccc2c1CC(=O)[O-] ZINC000814831528 1136512817 /nfs/dbraw/zinc/51/28/17/1136512817.db2.gz FYUZLOQXPDIPNO-UHFFFAOYSA-N -1 3 337.379 3.908 20 30 EHEDHM C=CCC(F)(F)C(=O)[N-][C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000815766422 1136637379 /nfs/dbraw/zinc/63/73/79/1136637379.db2.gz ZEFIVRZLKYCBMU-VIFPVBQESA-N -1 3 341.745 3.779 20 30 EHEDHM C[C@@H](OCc1ccccc1)C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1 ZINC000845838567 1137314835 /nfs/dbraw/zinc/31/48/35/1137314835.db2.gz FKRDUVBGGCPMFU-APWZRJJASA-N -1 3 347.414 3.601 20 30 EHEDHM C=CCOc1ccccc1[C@@H](C)NC(=O)c1ccc([O-])c(C(C)=O)c1 ZINC001148671641 1137431679 /nfs/dbraw/zinc/43/16/79/1137431679.db2.gz ZROZHTKQKSOVQW-CYBMUJFWSA-N -1 3 339.391 3.651 20 30 EHEDHM N#Cc1ccc(SCc2nc3c4ccccc4oc3c(=O)[n-]2)nc1 ZINC000348161352 1137447179 /nfs/dbraw/zinc/44/71/79/1137447179.db2.gz RHFKDOXCYQSVTE-UHFFFAOYSA-N -1 3 334.360 3.641 20 30 EHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(OC(C)(C)C)c3)nc1-2 ZINC000873507218 1137601295 /nfs/dbraw/zinc/60/12/95/1137601295.db2.gz FRHIMONACMQWHC-OAHLLOKOSA-N -1 3 348.406 3.934 20 30 EHEDHM COc1cc(C(=O)/C=C/c2ccc(OCC(F)F)cc2)ccc1[O-] ZINC000132523671 1137867002 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CC(C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F)=Cc1ccccc1 ZINC000824385361 609273633 /nfs/dbraw/zinc/27/36/33/609273633.db2.gz RJHSSJFTDLEEKA-CWOSXULZSA-N -1 3 334.354 3.848 20 30 EHEDHM CC(C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F)=Cc1ccccc1 ZINC000824385361 609273634 /nfs/dbraw/zinc/27/36/34/609273634.db2.gz RJHSSJFTDLEEKA-CWOSXULZSA-N -1 3 334.354 3.848 20 30 EHEDHM Clc1ccc2cccnc2c1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC000826352892 609276234 /nfs/dbraw/zinc/27/62/34/609276234.db2.gz RPFHBGAPMDALGR-UHFFFAOYSA-N -1 3 349.785 3.514 20 30 EHEDHM Clc1ccc2cccnc2c1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC000826352892 609276236 /nfs/dbraw/zinc/27/62/36/609276236.db2.gz RPFHBGAPMDALGR-UHFFFAOYSA-N -1 3 349.785 3.514 20 30 EHEDHM Cc1ccc(F)cc1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC000826289611 609308901 /nfs/dbraw/zinc/30/89/01/609308901.db2.gz GWCFDKVMWNMYKP-LCYFTJDESA-N -1 3 334.354 3.527 20 30 EHEDHM Cc1ccc(F)cc1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC000826289611 609308903 /nfs/dbraw/zinc/30/89/03/609308903.db2.gz GWCFDKVMWNMYKP-LCYFTJDESA-N -1 3 334.354 3.527 20 30 EHEDHM CC(C)(C#N)c1ccccc1CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001588607616 959491745 /nfs/dbraw/zinc/49/17/45/959491745.db2.gz NOKIVPYWYQUSOC-GOSISDBHSA-N -1 3 334.419 3.672 20 30 EHEDHM C=CCCCCN1Cc2cccc(Br)c2C[C@H]1C(=O)[O-] ZINC000568074192 974662118 /nfs/dbraw/zinc/66/21/18/974662118.db2.gz ZKCVFBXZGUNADG-HNNXBMFYSA-N -1 3 338.245 3.617 20 30 EHEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(OC(C)(C)C)cc1 ZINC000610194665 1014835171 /nfs/dbraw/zinc/83/51/71/1014835171.db2.gz SJUGAASEPHXGIQ-UHFFFAOYSA-N -1 3 344.436 3.845 20 30 EHEDHM C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001593219056 994295045 /nfs/dbraw/zinc/29/50/45/994295045.db2.gz LTCFUSSVZWEVFO-KZULUSFZSA-N -1 3 336.391 3.690 20 30 EHEDHM C[C@@](NCc1ccc(C#N)cc1C(F)(F)F)(C(=O)[O-])c1ccccc1 ZINC001593293087 994682574 /nfs/dbraw/zinc/68/25/74/994682574.db2.gz SNCGLGHFCUQFGQ-KRWDZBQOSA-N -1 3 348.324 3.667 20 30 EHEDHM Cc1cc(C(=O)/C=C\c2ccc(N3CCC(O)CC3)cc2)ccc1[O-] ZINC000905072328 1032341970 /nfs/dbraw/zinc/34/19/70/1032341970.db2.gz MAWMCBHOMWUXCK-YWEYNIOJSA-N -1 3 337.419 3.558 20 30 EHEDHM Cc1cc(C([O-])=C(C#N)c2ccncn2)c(C)n1[C@@H](C)c1ccccc1 ZINC000760355116 1032886576 /nfs/dbraw/zinc/88/65/76/1032886576.db2.gz AIVHWULAAZGIJF-KXBFYZLASA-N -1 3 344.418 3.994 20 30 EHEDHM CCc1ccc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c([O-])c1 ZINC000436835851 1021270078 /nfs/dbraw/zinc/27/00/78/1021270078.db2.gz XKMLWGAOTNQINH-RTBURBONSA-N -1 3 334.419 3.867 20 30 EHEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1ccc2c(c1)OCCO2 ZINC000018917371 1022040721 /nfs/dbraw/zinc/04/07/21/1022040721.db2.gz IMXDUEWAUJUDSI-UVIKPUKZSA-N -1 3 326.323 3.686 20 30 EHEDHM Cc1ncc(CO)c(/C=N/CCc2ccc(Cl)cc2Cl)c1[O-] ZINC000018137912 1022056889 /nfs/dbraw/zinc/05/68/89/1022056889.db2.gz BOOPIIWMZUUXQO-UFWORHAWSA-N -1 3 339.222 3.556 20 30 EHEDHM O=C1CCc2cc(N=Cc3cc(Br)ccc3[O-])ccc2N1 ZINC000255373020 1022125352 /nfs/dbraw/zinc/12/53/52/1022125352.db2.gz QYLCMLUWWJCQEL-UHFFFAOYSA-N -1 3 345.196 3.790 20 30 EHEDHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc(C#N)cc2)sc1Cl ZINC000473910835 1022255447 /nfs/dbraw/zinc/25/54/47/1022255447.db2.gz GRFAJTMPYQACLU-SNVBAGLBSA-N -1 3 340.857 3.621 20 30 EHEDHM CC1(C)CCCN(CCNC(=O)c2cc(F)c([O-])c(Cl)c2)C1 ZINC000331242415 1022777695 /nfs/dbraw/zinc/77/76/95/1022777695.db2.gz RBAQCDNXGJDCJT-UHFFFAOYSA-N -1 3 328.815 3.611 20 30 EHEDHM Cn1nc2c(c1CNC(=O)c1cc([O-])c3ccccc3c1)CCCC2 ZINC000329723715 1024146933 /nfs/dbraw/zinc/14/69/33/1024146933.db2.gz FNYYJSPHVYQIRC-UHFFFAOYSA-N -1 3 335.407 3.663 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)C1CCCCC1 ZINC000598439547 1033220913 /nfs/dbraw/zinc/22/09/13/1033220913.db2.gz NYRWSPUTAWLBOD-CYBMUJFWSA-N -1 3 343.471 3.541 20 30 EHEDHM CC(C)(C)OC(=O)Nc1cccc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000041493113 1025471711 /nfs/dbraw/zinc/47/17/11/1025471711.db2.gz WGAKDQQOMCXYFZ-OAHLLOKOSA-N -1 3 337.379 3.919 20 30 EHEDHM Cn1c(C(C#N)=C([O-])c2nccc3ccccc32)nc2ccccc21 ZINC000113650816 1025938516 /nfs/dbraw/zinc/93/85/16/1025938516.db2.gz YPCOXXNEPVDBAJ-HNNXBMFYSA-N -1 3 326.359 3.612 20 30 EHEDHM N#CC1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000436620933 1025968709 /nfs/dbraw/zinc/96/87/09/1025968709.db2.gz XFURUKLLJDLLOP-UHFFFAOYSA-N -1 3 334.419 3.553 20 30 EHEDHM C=CCN1C(=O)c2ccccc2N[C@H]1c1cc(Cl)c([O-])c(OC)c1 ZINC000024034496 1026848050 /nfs/dbraw/zinc/84/80/50/1026848050.db2.gz BKKKPYSVHUYMAW-QGZVFWFLSA-N -1 3 344.798 3.807 20 30 EHEDHM Cc1cc(C(C#N)=C([O-])c2csc3c2CC[C@@H](C)C3)nc(C)n1 ZINC000075442546 1027132250 /nfs/dbraw/zinc/13/22/50/1027132250.db2.gz FBGPKMPOXASPQA-YGRLFVJLSA-N -1 3 325.437 3.770 20 30 EHEDHM N#C[C@H]([N-]C(=O)CC(F)(F)C(F)F)c1c(Cl)cccc1Cl ZINC000889811382 1027367541 /nfs/dbraw/zinc/36/75/41/1027367541.db2.gz QUOLRCKWZHUDKU-QMMMGPOBSA-N -1 3 343.107 3.965 20 30 EHEDHM C=CC[C@H](C(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1)c1ccccc1 ZINC000188735061 1027520333 /nfs/dbraw/zinc/52/03/33/1027520333.db2.gz PBPWYBCHLRLLMR-AWEZNQCLSA-N -1 3 349.390 3.648 20 30 EHEDHM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000026547985 1027715475 /nfs/dbraw/zinc/71/54/75/1027715475.db2.gz ZOTBTLHHLMIZAZ-UHFFFAOYSA-N -1 3 340.448 3.777 20 30 EHEDHM COc1cc(/C=C/C(=O)c2cccc(O)c2)cc(Br)c1[O-] ZINC000023165148 1028755295 /nfs/dbraw/zinc/75/52/95/1028755295.db2.gz RTKIABBIGOQKDM-AATRIKPKSA-N -1 3 349.180 3.765 20 30 EHEDHM N#CC(=C([O-])C=Cc1ccccc1Cl)c1nnc2n1CCCCC2 ZINC000255569893 1030056422 /nfs/dbraw/zinc/05/64/22/1030056422.db2.gz ZWNWNRSMDHTYCF-CMUBDUJZSA-N -1 3 340.814 3.548 20 30 EHEDHM O=C(c1ncoc1C1CC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904180183 1031802644 /nfs/dbraw/zinc/80/26/44/1031802644.db2.gz ILJFAECIWUOMRK-UHFFFAOYSA-N -1 3 327.167 3.890 20 30 EHEDHM CCCCCCN([O-])C(=O)CCCc1nnc(-c2ccccc2)o1 ZINC000904205533 1031853796 /nfs/dbraw/zinc/85/37/96/1031853796.db2.gz LONVJENLAFDVNZ-UHFFFAOYSA-N -1 3 331.416 3.857 20 30 EHEDHM N#CC1(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCCCC1 ZINC000594869890 1033526747 /nfs/dbraw/zinc/52/67/47/1033526747.db2.gz UFKNLFKRZXAZDQ-UHFFFAOYSA-N -1 3 347.267 3.746 20 30 EHEDHM COc1cc(C(=O)/C=C/c2ccc(Oc3cnccn3)cc2)ccc1[O-] ZINC000174172662 1033777222 /nfs/dbraw/zinc/77/72/22/1033777222.db2.gz BJZNNOAKQNTDLN-XBXARRHUSA-N -1 3 348.358 3.879 20 30 EHEDHM CCc1cccc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1[O-] ZINC000091990180 1034723823 /nfs/dbraw/zinc/72/38/23/1034723823.db2.gz XEJBWZSVDZMQFN-MOPGFXCFSA-N -1 3 334.419 3.867 20 30 EHEDHM N#CC(=C([O-])c1cccc(OC(F)F)c1)c1cnc2ccccc2n1 ZINC000190924107 1036305505 /nfs/dbraw/zinc/30/55/05/1036305505.db2.gz HUKFDCGCXSDYBP-CYBMUJFWSA-N -1 3 339.301 3.721 20 30 EHEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c1 ZINC000186983571 1037151209 /nfs/dbraw/zinc/15/12/09/1037151209.db2.gz LAPWTCIXPBOSHI-UHFFFAOYSA-N -1 3 345.182 3.805 20 30 EHEDHM C=CCCOCCCCC(=O)Nc1cc(Br)ccc1[O-] ZINC000540484463 1037996454 /nfs/dbraw/zinc/99/64/54/1037996454.db2.gz KSDDFIDBLXWXBM-UHFFFAOYSA-N -1 3 342.233 3.856 20 30 EHEDHM C[C@@H]1CCCc2ncc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)n21 ZINC000651360555 1038509016 /nfs/dbraw/zinc/50/90/16/1038509016.db2.gz FXCHAXWWQVHKGL-PWSUYJOCSA-N -1 3 348.328 3.684 20 30 EHEDHM C=C[C@@H](CCC(=O)[O-])NCc1cc(Br)ccc1Cl ZINC000417627011 1040104464 /nfs/dbraw/zinc/10/44/64/1040104464.db2.gz OYZRIPMPNYBSEG-NSHDSACASA-N -1 3 332.625 3.612 20 30 EHEDHM CC(=O)c1ncc(C(=O)[N-]c2ccccc2SCCC#N)s1 ZINC001126128571 1042291461 /nfs/dbraw/zinc/29/14/61/1042291461.db2.gz GDQULCZVTPOHGI-UHFFFAOYSA-N -1 3 331.422 3.604 20 30 EHEDHM CCC(=NOCC(F)(F)F)c1cc(Br)ccc1[O-] ZINC000764845028 1127542276 /nfs/dbraw/zinc/54/22/76/1127542276.db2.gz PGTQPBDRULHFHX-UHFFFAOYSA-N -1 3 326.112 3.848 20 30 EHEDHM CC1(C)C[C@@H](C(=O)N([O-])Cc2ccc(F)cc2)c2ccccc2O1 ZINC001649075818 1128153287 /nfs/dbraw/zinc/15/32/87/1128153287.db2.gz GLFWGYYEFMTTQJ-MRXNPFEDSA-N -1 3 329.371 3.888 20 30 EHEDHM CC1(C)C[C@H](C(=O)N([O-])Cc2ccc(F)cc2)c2ccccc2O1 ZINC001649075817 1128153477 /nfs/dbraw/zinc/15/34/77/1128153477.db2.gz GLFWGYYEFMTTQJ-INIZCTEOSA-N -1 3 329.371 3.888 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@@H]2CCCC[C@@H]2C)no1 ZINC000273735108 1128661772 /nfs/dbraw/zinc/66/17/72/1128661772.db2.gz BCPUTIQOQHWSEM-SMDDNHRTSA-N -1 3 340.427 3.738 20 30 EHEDHM C=CCN(CCC#N)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000428842064 1128745943 /nfs/dbraw/zinc/74/59/43/1128745943.db2.gz ROLKNEPTEITGJF-UHFFFAOYSA-N -1 3 340.408 3.559 20 30 EHEDHM CCOC(=O)Nc1ccc(NCc2c(F)ccc([O-])c2F)cc1C#N ZINC000495751488 1121400627 /nfs/dbraw/zinc/40/06/27/1121400627.db2.gz ZTJRYKFIOKJOBV-UHFFFAOYSA-N -1 3 347.321 3.723 20 30 EHEDHM CCOc1cc(C=NNCc2ccc(F)c(F)c2)cc(Cl)c1[O-] ZINC000915974619 1122002551 /nfs/dbraw/zinc/00/25/51/1122002551.db2.gz JNNQOJNFKFFMHK-UHFFFAOYSA-N -1 3 340.757 3.846 20 30 EHEDHM C=CCNc1ncc(C(=O)[N-]c2nc(-c3ccccc3)ns2)s1 ZINC000126859067 1122448185 /nfs/dbraw/zinc/44/81/85/1122448185.db2.gz FABJEGYVUNZFCB-UHFFFAOYSA-N -1 3 343.437 3.512 20 30 EHEDHM C[C@H](C(=O)[N-][C@H](c1cccc(F)c1F)C(F)(F)F)C(C)(F)F ZINC000499118707 1123236483 /nfs/dbraw/zinc/23/64/83/1123236483.db2.gz WDBZAJGJLMCGFO-LHLIQPBNSA-N -1 3 331.231 3.976 20 30 EHEDHM COc1cc(C=NN[C@@H](C)c2ccccc2)cc(Br)c1[O-] ZINC000920385878 1123363047 /nfs/dbraw/zinc/36/30/47/1123363047.db2.gz JHWXVWIERJMYKG-NSHDSACASA-N -1 3 349.228 3.848 20 30 EHEDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1[nH]c2ccccc2c1Cl ZINC000064372292 1123586579 /nfs/dbraw/zinc/58/65/79/1123586579.db2.gz XEYOOOGGRKEWPY-UHFFFAOYSA-N -1 3 338.758 3.638 20 30 EHEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1c(F)ccc([O-])c1F ZINC000509005617 1129641032 /nfs/dbraw/zinc/64/10/32/1129641032.db2.gz DPCGPBDJELUALN-RHSMWYFYSA-N -1 3 328.362 3.942 20 30 EHEDHM COC(=O)C[C@@H](/N=C/c1cc(Cl)ccc1[O-])c1ccc(OC)cc1 ZINC000732769985 1130955482 /nfs/dbraw/zinc/95/54/82/1130955482.db2.gz RANWHXTWKZPQGS-MBTVCVBTSA-N -1 3 347.798 3.778 20 30 EHEDHM C[C@@H]1C[C@H](/N=C\c2cc(Cl)ccc2[O-])C(=O)N1c1ccccc1 ZINC000741845300 1131655694 /nfs/dbraw/zinc/65/56/94/1131655694.db2.gz SLUKKUYGPQAINI-HQLWKKGHSA-N -1 3 328.799 3.659 20 30 EHEDHM N#Cc1cc(Cl)c(Cl)cc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175431828 1132668359 /nfs/dbraw/zinc/66/83/59/1132668359.db2.gz OVYXCASVDWXLIX-UHFFFAOYSA-N -1 3 331.166 3.789 20 30 EHEDHM CCN(CC)C(=O)c1cc(F)cc(Nc2cc(C#N)ccc2[O-])c1 ZINC001176299504 1132907789 /nfs/dbraw/zinc/90/77/89/1132907789.db2.gz WKXSDMLRYWEBHO-UHFFFAOYSA-N -1 3 327.359 3.629 20 30 EHEDHM N#CCc1nn(-c2ccccc2)c(Nc2cc([O-])cc(Cl)c2)c1C#N ZINC001176625276 1132974248 /nfs/dbraw/zinc/97/42/48/1132974248.db2.gz MAJCNGMRTHNVOC-UHFFFAOYSA-N -1 3 349.781 3.913 20 30 EHEDHM C=CC[C@@H]1N(C(=O)c2nnc3ccccc3c2[O-])CCCC1(C)C ZINC000768099765 1133091785 /nfs/dbraw/zinc/09/17/85/1133091785.db2.gz YMQPKXHSLWCBND-HNNXBMFYSA-N -1 3 325.412 3.542 20 30 EHEDHM N#Cc1cccc2c1CC[C@H]2[N-]C(=O)C(F)(F)c1ccc(F)cc1 ZINC001182890776 1133744998 /nfs/dbraw/zinc/74/49/98/1133744998.db2.gz TZVRWSKAHJBIJF-MRXNPFEDSA-N -1 3 330.309 3.593 20 30 EHEDHM Cc1cc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)c(C)n1C ZINC001184235877 1133913806 /nfs/dbraw/zinc/91/38/06/1133913806.db2.gz OGSOJHHBPSGISQ-UHFFFAOYSA-N -1 3 327.211 3.980 20 30 EHEDHM CCc1nc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)c(C)o1 ZINC001184234844 1133914280 /nfs/dbraw/zinc/91/42/80/1133914280.db2.gz DXGIXVQKACJUJV-UHFFFAOYSA-N -1 3 329.183 3.884 20 30 EHEDHM O=C(c1ccn(-c2ccc(F)cc2)n1)N([O-])Cc1ccccc1Cl ZINC001184283818 1133923402 /nfs/dbraw/zinc/92/34/02/1133923402.db2.gz RORUJNSLWZOZPR-UHFFFAOYSA-N -1 3 345.761 3.696 20 30 EHEDHM CCCOc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)c(OC)c1 ZINC001184349113 1133930633 /nfs/dbraw/zinc/93/06/33/1133930633.db2.gz VNJDQASXUIIVAC-UHFFFAOYSA-N -1 3 333.359 3.655 20 30 EHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)CC[C@H](C)CC)c(C)c1[O-] ZINC001185573213 1134107999 /nfs/dbraw/zinc/10/79/99/1134107999.db2.gz ZEXSRTZRCRZKPE-LLVKDONJSA-N -1 3 332.400 3.514 20 30 EHEDHM Cc1noc([N-]C(=O)Nc2cc(C(F)(F)F)ccc2F)c1C#N ZINC001185580587 1134114511 /nfs/dbraw/zinc/11/45/11/1134114511.db2.gz FILDGXALYCLBHT-UHFFFAOYSA-N -1 3 328.225 3.657 20 30 EHEDHM N#C[C@H]([N-]S(=O)(=O)c1csc2ccccc21)c1ccc(F)cc1 ZINC001186510426 1134226764 /nfs/dbraw/zinc/22/67/64/1134226764.db2.gz ZMRHXPAUGUWZBB-AWEZNQCLSA-N -1 3 346.408 3.584 20 30 EHEDHM CCCCCCCCS(=O)(=O)[N-]c1cccc2c1NC(=O)CC2 ZINC001188018196 1134417238 /nfs/dbraw/zinc/41/72/38/1134417238.db2.gz YOQGZIHWDSDQKK-UHFFFAOYSA-N -1 3 338.473 3.674 20 30 EHEDHM O=C1CCN1c1cccc(N=Cc2cc(Br)ccc2[O-])c1 ZINC000790598177 1134440313 /nfs/dbraw/zinc/44/03/13/1134440313.db2.gz JUHYZSJREZCZRY-UHFFFAOYSA-N -1 3 345.196 3.642 20 30 EHEDHM C#CCOc1ccc(F)cc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000792194610 1134666303 /nfs/dbraw/zinc/66/63/03/1134666303.db2.gz BVSNVZXOYUCIAK-UHFFFAOYSA-N -1 3 335.334 3.949 20 30 EHEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c(F)c1F ZINC001190499277 1134714931 /nfs/dbraw/zinc/71/49/31/1134714931.db2.gz ABZLQAQKWJNLFH-UHFFFAOYSA-N -1 3 334.347 3.515 20 30 EHEDHM N#Cc1cc(F)c(C(=O)[N-]c2cc(-c3ccc(F)cc3)no2)c(F)c1 ZINC001191907976 1134937033 /nfs/dbraw/zinc/93/70/33/1134937033.db2.gz WCBSGBUYVVNYNZ-UHFFFAOYSA-N -1 3 343.264 3.883 20 30 EHEDHM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC001195267734 1135402489 /nfs/dbraw/zinc/40/24/89/1135402489.db2.gz JTYTTYBPJHZBCM-UHFFFAOYSA-N -1 3 341.219 3.974 20 30 EHEDHM [O-]c1ccc(Cl)cc1/C=N\CCCn1cc(Br)cn1 ZINC000806551587 1135456581 /nfs/dbraw/zinc/45/65/81/1135456581.db2.gz MHRJVOQFXDZXIK-APSNUPSMSA-N -1 3 342.624 3.514 20 30 EHEDHM COc1cc(C(=O)/C=C/c2ccc(OC)c(OC)c2C)ccc1[O-] ZINC000806570392 1135462210 /nfs/dbraw/zinc/46/22/10/1135462210.db2.gz YKGXWDKWJVWIMK-VMPITWQZSA-N -1 3 328.364 3.623 20 30 EHEDHM COc1cc(C=NNc2ccc([N+](=O)[O-])cc2C)cc(Cl)c1[O-] ZINC000807990969 1135598930 /nfs/dbraw/zinc/59/89/30/1135598930.db2.gz PSPLTPBSNYLCTP-UHFFFAOYSA-N -1 3 335.747 3.717 20 30 EHEDHM N#Cc1oc2ccccc2c1[N-]C(=O)c1ccc(OC(F)F)cn1 ZINC001197917184 1135750204 /nfs/dbraw/zinc/75/02/04/1135750204.db2.gz OKFULRRPBGEQBM-UHFFFAOYSA-N -1 3 329.262 3.553 20 30 EHEDHM Cc1cc(C/N=C/c2cc(Cl)ccc2[O-])cc(N2CCCC2)n1 ZINC000811625881 1136110927 /nfs/dbraw/zinc/11/09/27/1136110927.db2.gz XZAOOYMGMSKEDI-UDWIEESQSA-N -1 3 329.831 3.968 20 30 EHEDHM CC(C)(C)O[C@H]1C[C@H](/N=C/c2cc(Br)ccc2[O-])C1 ZINC000852998358 1136496452 /nfs/dbraw/zinc/49/64/52/1136496452.db2.gz LMAFLGWNIWWYAC-AGGUKQCVSA-N -1 3 326.234 3.920 20 30 EHEDHM C=CCC(F)(F)C(=O)[N-][C@](C)(CO)c1cc(Cl)cc(Cl)c1 ZINC000854874973 1136649816 /nfs/dbraw/zinc/64/98/16/1136649816.db2.gz VECNZOJIJHSKCE-CYBMUJFWSA-N -1 3 338.181 3.529 20 30 EHEDHM C=CCCO[N-]C(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000856032998 1136751135 /nfs/dbraw/zinc/75/11/35/1136751135.db2.gz VILQKDDBQXLCKH-GDBMZVCRSA-N -1 3 348.443 3.512 20 30 EHEDHM O=C(Nc1cccc(C#Cc2cccs2)c1)c1cccc2n[n-]nc21 ZINC001136146150 1136878800 /nfs/dbraw/zinc/87/88/00/1136878800.db2.gz MGNDAOKUTIKHMU-UHFFFAOYSA-N -1 3 344.399 3.672 20 30 EHEDHM CC(C)c1nccnc1N=NC(C)c1ccc([O-])c(Br)c1 ZINC000844594458 1137238271 /nfs/dbraw/zinc/23/82/71/1137238271.db2.gz SITLUIULAPQHJT-UHFFFAOYSA-N -1 3 349.232 3.904 20 30 EHEDHM COC[C@@H](N[C@H](C)c1cccc(C#N)c1[O-])c1ccc(F)c(F)c1 ZINC000866310650 1137344503 /nfs/dbraw/zinc/34/45/03/1137344503.db2.gz HXQIOHZJWZVHQA-PIGZYNQJSA-N -1 3 332.350 3.580 20 30 EHEDHM C=C(C)CO[N-]C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 ZINC000846538508 1137355765 /nfs/dbraw/zinc/35/57/65/1137355765.db2.gz ITOVSQRWPIZUBV-UHFFFAOYSA-N -1 3 344.358 3.872 20 30 EHEDHM C=C(C)CO[N-]C(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000846537977 1137355846 /nfs/dbraw/zinc/35/58/46/1137355846.db2.gz OUBOORQKASUBCE-KBPBESRZSA-N -1 3 328.437 3.970 20 30 EHEDHM COc1cc(C(=O)/C=C\c2ccnn2-c2ccc(F)cc2)ccc1[O-] ZINC000794935116 1137367032 /nfs/dbraw/zinc/36/70/32/1137367032.db2.gz WVTVYJBLTXYSKE-CLFYSBASSA-N -1 3 338.338 3.622 20 30 EHEDHM Cc1cncc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000132006192 1137862088 /nfs/dbraw/zinc/86/20/88/1137862088.db2.gz CQDNDIQUVLFXLU-CQSZACIVSA-N -1 3 348.189 3.658 20 30 EHEDHM N#CC(=C([O-])c1ccc(F)c(F)c1)c1ccc(C(F)(F)F)cn1 ZINC000047371680 201108006 /nfs/dbraw/zinc/10/80/06/201108006.db2.gz WIQJSAULRYYBQP-SNVBAGLBSA-N -1 3 326.224 3.869 20 30 EHEDHM COc1cc(CNc2cccc(C#N)c2)cc(Br)c1[O-] ZINC000019921929 212083403 /nfs/dbraw/zinc/08/34/03/212083403.db2.gz DIGJMLGDZRYMTP-UHFFFAOYSA-N -1 3 333.185 3.647 20 30 EHEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1N[C@H](C#N)C1CCCCC1 ZINC000735905779 599098711 /nfs/dbraw/zinc/09/87/11/599098711.db2.gz MRLOBWHIMCRXEP-MRXNPFEDSA-N -1 3 340.431 3.538 20 30 EHEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1N[C@H](C#N)C1CCCCC1 ZINC000735905779 599098714 /nfs/dbraw/zinc/09/87/14/599098714.db2.gz MRLOBWHIMCRXEP-MRXNPFEDSA-N -1 3 340.431 3.538 20 30 EHEDHM CC[C@H](C)C(C)N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736330271 598315425 /nfs/dbraw/zinc/31/54/25/598315425.db2.gz LUTABHGUOXIBIZ-QMMMGPOBSA-N -1 3 326.326 3.719 20 30 EHEDHM CC[C@H](C)C(C)N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736330271 598315426 /nfs/dbraw/zinc/31/54/26/598315426.db2.gz LUTABHGUOXIBIZ-QMMMGPOBSA-N -1 3 326.326 3.719 20 30 EHEDHM CCCOc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737030719 600596529 /nfs/dbraw/zinc/59/65/29/600596529.db2.gz CASNNMSUTNLHOA-IFXJQAMLSA-N -1 3 338.407 3.824 20 30 EHEDHM CC(=NNc1ccc(C(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000823958828 607532034 /nfs/dbraw/zinc/53/20/34/607532034.db2.gz YFVCZYCBMQQAJZ-UHFFFAOYSA-N -1 3 346.316 3.722 20 30 EHEDHM CC(=NNc1ccc(C(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000823958828 607532035 /nfs/dbraw/zinc/53/20/35/607532035.db2.gz YFVCZYCBMQQAJZ-UHFFFAOYSA-N -1 3 346.316 3.722 20 30 EHEDHM C[C@H]1CC(=Cc2ccc(-c3nnn[n-]3)cc2F)C(=O)c2ccccc21 ZINC000824859225 607681509 /nfs/dbraw/zinc/68/15/09/607681509.db2.gz OEKNQQQBVSKOFB-LUHPIMIVSA-N -1 3 334.354 3.779 20 30 EHEDHM C[C@H]1CC(=Cc2ccc(-c3nn[n-]n3)cc2F)C(=O)c2ccccc21 ZINC000824859225 607681510 /nfs/dbraw/zinc/68/15/10/607681510.db2.gz OEKNQQQBVSKOFB-LUHPIMIVSA-N -1 3 334.354 3.779 20 30 EHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cccc2ccccc21 ZINC000822922513 606302580 /nfs/dbraw/zinc/30/25/80/606302580.db2.gz GXXBYCIOPJFUCZ-HJWRWDBZSA-N -1 3 332.388 3.978 20 30 EHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cccc2ccccc21 ZINC000822922513 606302583 /nfs/dbraw/zinc/30/25/83/606302583.db2.gz GXXBYCIOPJFUCZ-HJWRWDBZSA-N -1 3 332.388 3.978 20 30 EHEDHM O=C(C=Cc1cc(Cl)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000826399703 607808113 /nfs/dbraw/zinc/80/81/13/607808113.db2.gz CQRCPUFJKNWWPR-QPJJXVBHSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1cc(Cl)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000826399703 607808114 /nfs/dbraw/zinc/80/81/14/607808114.db2.gz CQRCPUFJKNWWPR-QPJJXVBHSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1ccc(F)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826401398 607884044 /nfs/dbraw/zinc/88/40/44/607884044.db2.gz XOHNNSVTXGVLJY-KRXBUXKQSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1ccc(F)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826401398 607884045 /nfs/dbraw/zinc/88/40/45/607884045.db2.gz XOHNNSVTXGVLJY-KRXBUXKQSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)CCc2ccc(Cl)cc21 ZINC000826475402 608048243 /nfs/dbraw/zinc/04/82/43/608048243.db2.gz FJWMITJGTJSJHJ-YFHOEESVSA-N -1 3 342.811 3.794 20 30 EHEDHM O=C1c2c3ccccc3[nH]c2CCC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826475632 609369572 /nfs/dbraw/zinc/36/95/72/609369572.db2.gz MDZSVAMPDCKEDE-KAMYIIQDSA-N -1 3 341.374 3.561 20 30 EHEDHM O=C1c2c3ccccc3[nH]c2CCC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826475632 609369574 /nfs/dbraw/zinc/36/95/74/609369574.db2.gz MDZSVAMPDCKEDE-KAMYIIQDSA-N -1 3 341.374 3.561 20 30 EHEDHM Clc1cc(NN=Cc2cncc3ccccc23)ccc1-c1nnn[n-]1 ZINC000826351766 609476685 /nfs/dbraw/zinc/47/66/85/609476685.db2.gz ZLIQPEYWQWGFNG-UHFFFAOYSA-N -1 3 349.785 3.514 20 30 EHEDHM Clc1cc(NN=Cc2cncc3ccccc23)ccc1-c1nn[n-]n1 ZINC000826351766 609476688 /nfs/dbraw/zinc/47/66/88/609476688.db2.gz ZLIQPEYWQWGFNG-UHFFFAOYSA-N -1 3 349.785 3.514 20 30 EHEDHM CCSc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825674904 947285687 /nfs/dbraw/zinc/28/56/87/947285687.db2.gz UNOJPOSPRHHHAU-LFYBBSHMSA-N -1 3 336.420 3.875 20 30 EHEDHM CCSc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825674904 947285694 /nfs/dbraw/zinc/28/56/94/947285694.db2.gz UNOJPOSPRHHHAU-LFYBBSHMSA-N -1 3 336.420 3.875 20 30 EHEDHM O=C(C=Cc1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400333 948217126 /nfs/dbraw/zinc/21/71/26/948217126.db2.gz WCVKIVZTCDIJQF-SREVYHEPSA-N -1 3 346.724 3.694 20 30 EHEDHM O=C(C=Cc1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400333 948217142 /nfs/dbraw/zinc/21/71/42/948217142.db2.gz WCVKIVZTCDIJQF-SREVYHEPSA-N -1 3 346.724 3.694 20 30 EHEDHM O=C(C=Cc1ccc(Cl)c(F)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400481 948218032 /nfs/dbraw/zinc/21/80/32/948218032.db2.gz ZZXCXJRCNNYIQF-QHHAFSJGSA-N -1 3 346.724 3.694 20 30 EHEDHM O=C(C=Cc1ccc(Cl)c(F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400481 948218040 /nfs/dbraw/zinc/21/80/40/948218040.db2.gz ZZXCXJRCNNYIQF-QHHAFSJGSA-N -1 3 346.724 3.694 20 30 EHEDHM O=C(C=Cc1ccc(Cl)s1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400605 948218511 /nfs/dbraw/zinc/21/85/11/948218511.db2.gz CDCNAAWRTVRRCK-GORDUTHDSA-N -1 3 334.763 3.617 20 30 EHEDHM O=C(C=Cc1ccc(Cl)s1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400605 948218518 /nfs/dbraw/zinc/21/85/18/948218518.db2.gz CDCNAAWRTVRRCK-GORDUTHDSA-N -1 3 334.763 3.617 20 30 EHEDHM CC(C)c1ccc(C[C@H](C)Nc2c(C#N)cccc2-c2nnn[n-]2)cc1 ZINC001575187259 952438478 /nfs/dbraw/zinc/43/84/78/952438478.db2.gz AEOYYPNJWLVTJH-AWEZNQCLSA-N -1 3 346.438 3.905 20 30 EHEDHM CC(C)c1ccc(C[C@H](C)Nc2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001575187259 952438480 /nfs/dbraw/zinc/43/84/80/952438480.db2.gz AEOYYPNJWLVTJH-AWEZNQCLSA-N -1 3 346.438 3.905 20 30 EHEDHM C=C[C@H](C(=O)[O-])N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001573344945 962922932 /nfs/dbraw/zinc/92/29/32/962922932.db2.gz AZQDANHFAYXEAA-LLVKDONJSA-N -1 3 341.251 3.795 20 30 EHEDHM N#CC(=C([O-])C=Cc1ccccc1OC(F)(F)F)c1ccccn1 ZINC000049457685 1014171132 /nfs/dbraw/zinc/17/11/32/1014171132.db2.gz DOXYYHFAGJCZFG-MMQHEFTJSA-N -1 3 332.281 3.870 20 30 EHEDHM C[C@H](C(=O)[O-])[C@H](NCc1cc(Cl)cc(C#N)c1)c1ccccc1 ZINC001589469618 986945801 /nfs/dbraw/zinc/94/58/01/986945801.db2.gz WBTDNEDEDQGHMD-SJCJKPOMSA-N -1 3 328.799 3.763 20 30 EHEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCCC[C@H]2Cc2ccccc2)c1[O-] ZINC000728231169 1016288531 /nfs/dbraw/zinc/28/85/31/1016288531.db2.gz JECUFHLZIPZDDQ-JSLUYBOKSA-N -1 3 338.451 3.808 20 30 EHEDHM CCc1cccc(C(=O)Nc2nc(C)c(SCC#N)s2)c1[O-] ZINC000081942693 1032388596 /nfs/dbraw/zinc/38/85/96/1032388596.db2.gz MSNDHPIJNHXVIT-UHFFFAOYSA-N -1 3 333.438 3.588 20 30 EHEDHM N#Cc1cccc(CN[C@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)c1 ZINC000340686275 1019324098 /nfs/dbraw/zinc/32/40/98/1019324098.db2.gz XUIFIRWDGQNLRF-MRXNPFEDSA-N -1 3 348.324 3.883 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(F)c1Cl ZINC000345414241 1020230672 /nfs/dbraw/zinc/23/06/72/1020230672.db2.gz HWYUKXSQRJFTGI-UHFFFAOYSA-N -1 3 347.777 3.640 20 30 EHEDHM N#Cc1ccccc1N1CCCN(Cc2cccc([O-])c2Cl)CC1 ZINC000507492276 1021304640 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N#Cc1cccc(O[C@H]2CCCN(Cc3cc(F)c(F)cc3[O-])C2)c1 ZINC001142527523 1033276449 /nfs/dbraw/zinc/27/64/49/1033276449.db2.gz XURKKVNTRKMMIH-INIZCTEOSA-N -1 3 344.361 3.585 20 30 EHEDHM COc1ccc(C(=O)N(Cc2ccc(C#N)cc2)CC(C)C)c([O-])c1 ZINC000436537362 1025865806 /nfs/dbraw/zinc/86/58/06/1025865806.db2.gz FILYTNTYCJHFFW-UHFFFAOYSA-N -1 3 338.407 3.571 20 30 EHEDHM C=C[C@](C)(CC)C(=O)N=c1cc(-c2cc(Cl)ccc2OC)[n-][nH]1 ZINC000443352977 1025941520 /nfs/dbraw/zinc/94/15/20/1025941520.db2.gz BDAMVTWVXJQGAC-QGZVFWFLSA-N -1 3 333.819 3.701 20 30 EHEDHM Cc1ccc(-n2ncc(C#N)c2Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001213373505 1027683683 /nfs/dbraw/zinc/68/36/83/1027683683.db2.gz IMOKQRHUQJGYKQ-UHFFFAOYSA-N -1 3 326.306 3.780 20 30 EHEDHM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1cc(C#N)ccc1C ZINC000088547772 1028400406 /nfs/dbraw/zinc/40/04/06/1028400406.db2.gz PQGGMJCGIZZWIA-UHFFFAOYSA-N -1 3 344.436 3.805 20 30 EHEDHM CC(C)(C)c1noc(CCC(=O)N([O-])CCCCc2ccccc2)n1 ZINC000904201703 1031847140 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/nfs/dbraw/zinc/31/44/74/1137314474.db2.gz FHRCPGHLKPHFMS-DANTVBBOSA-N -1 3 325.389 3.825 20 30 EHEDHM C=C[C@@H](C)O[N-]C(=O)CCc1cc(Cl)ccc1Br ZINC000846547193 1137354878 /nfs/dbraw/zinc/35/48/78/1137354878.db2.gz OBISLVWBWXPLTK-SECBINFHSA-N -1 3 332.625 3.657 20 30 EHEDHM Cc1ncc(CO)c(C=Nc2ccc(OCCC(C)C)c(F)c2)c1[O-] ZINC000846755935 1137363574 /nfs/dbraw/zinc/36/35/74/1137363574.db2.gz FSZYRJSKWGNWBY-UHFFFAOYSA-N -1 3 346.402 3.903 20 30 EHEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1ccc(-n2cccn2)cc1 ZINC000794939920 1137371191 /nfs/dbraw/zinc/37/11/91/1137371191.db2.gz ZHOMJYVQLYGRQG-VURMDHGXSA-N -1 3 326.302 3.752 20 30 EHEDHM COc1cc(C(=O)/C=C/c2ccc3ncccc3c2)c(OC)cc1[O-] ZINC000122524299 1137447344 /nfs/dbraw/zinc/44/73/44/1137447344.db2.gz RNWKEGFWWHQDDZ-SOFGYWHQSA-N -1 3 335.359 3.854 20 30 EHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1oc(CC)cc1C ZINC000128743647 1137796599 /nfs/dbraw/zinc/79/65/99/1137796599.db2.gz WSISHSKRVATNLO-AWEZNQCLSA-N -1 3 340.379 3.510 20 30 EHEDHM Cc1ccc(-c2cc(C(=O)OCc3ccc(C4(C#N)CC4)cc3)n[n-]2)o1 ZINC000777347106 1139758702 /nfs/dbraw/zinc/75/87/02/1139758702.db2.gz SLSNAJYLPDETDE-UHFFFAOYSA-N -1 3 347.374 3.890 20 30 EHEDHM Cc1ccc(-c2cc(C(=O)OCc3ccc(C4(C#N)CC4)cc3)[n-]n2)o1 ZINC000777347106 1139758708 /nfs/dbraw/zinc/75/87/08/1139758708.db2.gz SLSNAJYLPDETDE-UHFFFAOYSA-N -1 3 347.374 3.890 20 30 EHEDHM CSc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1 ZINC000821978144 599115732 /nfs/dbraw/zinc/11/57/32/599115732.db2.gz JQPJQHQUWHSAIC-UVTDQMKNSA-N -1 3 348.431 3.801 20 30 EHEDHM CSc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1 ZINC000821978144 599115734 /nfs/dbraw/zinc/11/57/34/599115734.db2.gz JQPJQHQUWHSAIC-UVTDQMKNSA-N -1 3 348.431 3.801 20 30 EHEDHM C[C@@H](Sc1ccc(C#N)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736190616 599173234 /nfs/dbraw/zinc/17/32/34/599173234.db2.gz GARWDBADKKFSPS-SNVBAGLBSA-N -1 3 325.372 3.731 20 30 EHEDHM C[C@@H](Sc1ccc(C#N)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736190616 599173236 /nfs/dbraw/zinc/17/32/36/599173236.db2.gz GARWDBADKKFSPS-SNVBAGLBSA-N -1 3 325.372 3.731 20 30 EHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1coc2ccccc12 ZINC000826399639 607647263 /nfs/dbraw/zinc/64/72/63/607647263.db2.gz BAJKMZNMGHOUSJ-FPLPWBNLSA-N -1 3 334.310 3.648 20 30 EHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1coc2ccccc12 ZINC000826399639 607647264 /nfs/dbraw/zinc/64/72/64/607647264.db2.gz BAJKMZNMGHOUSJ-FPLPWBNLSA-N -1 3 334.310 3.648 20 30 EHEDHM N#Cc1ccc(SCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000822833390 606852310 /nfs/dbraw/zinc/85/23/10/606852310.db2.gz POHTXZSPKYAMBQ-UHFFFAOYSA-N -1 3 327.800 3.684 20 30 EHEDHM N#Cc1ccc(SCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000822833390 606852311 /nfs/dbraw/zinc/85/23/11/606852311.db2.gz POHTXZSPKYAMBQ-UHFFFAOYSA-N -1 3 327.800 3.684 20 30 EHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cc2c(s1)CCCC2 ZINC000822923771 606977970 /nfs/dbraw/zinc/97/79/70/606977970.db2.gz UDHKGRSKJGNFCJ-WAYWQWQTSA-N -1 3 342.449 3.765 20 30 EHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cc2c(s1)CCCC2 ZINC000822923771 606977972 /nfs/dbraw/zinc/97/79/72/606977972.db2.gz UDHKGRSKJGNFCJ-WAYWQWQTSA-N -1 3 342.449 3.765 20 30 EHEDHM C[C@H](SCc1cc(F)ccc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000820549956 607034617 /nfs/dbraw/zinc/03/46/17/607034617.db2.gz UBDNQOHNQUAYRX-NSHDSACASA-N -1 3 339.399 3.872 20 30 EHEDHM C[C@H](SCc1cc(F)ccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000820549956 607034618 /nfs/dbraw/zinc/03/46/18/607034618.db2.gz UBDNQOHNQUAYRX-NSHDSACASA-N -1 3 339.399 3.872 20 30 EHEDHM O=C(C=Cc1cccc(Cl)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000822928903 607111783 /nfs/dbraw/zinc/11/17/83/607111783.db2.gz MVWHUJWUQVVHQG-HJWRWDBZSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1cccc(Cl)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000822928903 607111784 /nfs/dbraw/zinc/11/17/84/607111784.db2.gz MVWHUJWUQVVHQG-HJWRWDBZSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1ccc(F)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000822930357 607123098 /nfs/dbraw/zinc/12/30/98/607123098.db2.gz ZHQAIXBPGINOSV-ALCCZGGFSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1ccc(F)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000822930357 607123099 /nfs/dbraw/zinc/12/30/99/607123099.db2.gz ZHQAIXBPGINOSV-ALCCZGGFSA-N -1 3 328.734 3.555 20 30 EHEDHM Cc1ccc(-c2nnn[n-]2)cc1NCc1ccccc1C(C)(C)C#N ZINC000822221192 607124365 /nfs/dbraw/zinc/12/43/65/607124365.db2.gz DUPIDFMQMZXLPY-UHFFFAOYSA-N -1 3 332.411 3.588 20 30 EHEDHM Cc1ccc(-c2nn[n-]n2)cc1NCc1ccccc1C(C)(C)C#N ZINC000822221192 607124367 /nfs/dbraw/zinc/12/43/67/607124367.db2.gz DUPIDFMQMZXLPY-UHFFFAOYSA-N -1 3 332.411 3.588 20 30 EHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(F)c(Cl)c1 ZINC000826402632 607884562 /nfs/dbraw/zinc/88/45/62/607884562.db2.gz YQRZCXDVKFVJLC-SOFGYWHQSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(F)c(Cl)c1 ZINC000826402632 607884563 /nfs/dbraw/zinc/88/45/63/607884563.db2.gz YQRZCXDVKFVJLC-SOFGYWHQSA-N -1 3 328.734 3.555 20 30 EHEDHM Cc1oc2ccccc2c1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826342210 607982204 /nfs/dbraw/zinc/98/22/04/607982204.db2.gz AXXUEZMESCAMHZ-ZHACJKMWSA-N -1 3 330.347 3.817 20 30 EHEDHM Cc1oc2ccccc2c1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826342210 607982205 /nfs/dbraw/zinc/98/22/05/607982205.db2.gz AXXUEZMESCAMHZ-ZHACJKMWSA-N -1 3 330.347 3.817 20 30 EHEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)CCc2ccc(Cl)cc21 ZINC000826475858 608048219 /nfs/dbraw/zinc/04/82/19/608048219.db2.gz TVOSBQZXRYEDOD-YHYXMXQVSA-N -1 3 342.811 3.794 20 30 EHEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)CCc2ccc(Cl)cc21 ZINC000826475858 608048220 /nfs/dbraw/zinc/04/82/20/608048220.db2.gz TVOSBQZXRYEDOD-YHYXMXQVSA-N -1 3 342.811 3.794 20 30 EHEDHM C#CC[C@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccccc1 ZINC000823837869 608233898 /nfs/dbraw/zinc/23/38/98/608233898.db2.gz IADQJHBTNNXNTH-KRWDZBQOSA-N -1 3 340.390 3.591 20 30 EHEDHM C#CC[C@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccccc1 ZINC000823837869 608233899 /nfs/dbraw/zinc/23/38/99/608233899.db2.gz IADQJHBTNNXNTH-KRWDZBQOSA-N -1 3 340.390 3.591 20 30 EHEDHM Cc1cccc2c1[C@@H](C)C(=Cc1ccc(-c3nnn[n-]3)cc1F)C2=O ZINC000826305339 608318841 /nfs/dbraw/zinc/31/88/41/608318841.db2.gz SLJHJOAKADVIBI-LWHXSLQUSA-N -1 3 334.354 3.698 20 30 EHEDHM Cc1cccc2c1[C@@H](C)C(=Cc1ccc(-c3nn[n-]n3)cc1F)C2=O ZINC000826305339 608318843 /nfs/dbraw/zinc/31/88/43/608318843.db2.gz SLJHJOAKADVIBI-LWHXSLQUSA-N -1 3 334.354 3.698 20 30 EHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)c(Cl)c1 ZINC000826401323 608878317 /nfs/dbraw/zinc/87/83/17/608878317.db2.gz VMOKKEZVUNRQCX-QHHAFSJGSA-N -1 3 346.724 3.694 20 30 EHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(F)c(Cl)c1 ZINC000826401323 608878321 /nfs/dbraw/zinc/87/83/21/608878321.db2.gz VMOKKEZVUNRQCX-QHHAFSJGSA-N -1 3 346.724 3.694 20 30 EHEDHM O=C1c2c3ccccc3[nH]c2CCC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000826476026 609369731 /nfs/dbraw/zinc/36/97/31/609369731.db2.gz ZDPDZAKJJAHVER-RAXLEYEMSA-N -1 3 341.374 3.561 20 30 EHEDHM O=C1c2c3ccccc3[nH]c2CCC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000826476026 609369732 /nfs/dbraw/zinc/36/97/32/609369732.db2.gz ZDPDZAKJJAHVER-RAXLEYEMSA-N -1 3 341.374 3.561 20 30 EHEDHM C=C(C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)C[C@@H](C)C[C@H]2C ZINC001573294121 946976982 /nfs/dbraw/zinc/97/69/82/946976982.db2.gz UVFBYSOZAISNGZ-WDEREUQCSA-N -1 3 345.472 3.909 20 30 EHEDHM C=C(C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)C[C@@H](C)C[C@H]2C ZINC001573294121 946976986 /nfs/dbraw/zinc/97/69/86/946976986.db2.gz UVFBYSOZAISNGZ-WDEREUQCSA-N -1 3 345.472 3.909 20 30 EHEDHM O=C(C=Cc1ccc(F)cc1Cl)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826401043 948219035 /nfs/dbraw/zinc/21/90/35/948219035.db2.gz NTFGUCJQOUEYKF-ZZXKWVIFSA-N -1 3 346.724 3.694 20 30 EHEDHM O=C(C=Cc1ccc(F)cc1Cl)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826401043 948219044 /nfs/dbraw/zinc/21/90/44/948219044.db2.gz NTFGUCJQOUEYKF-ZZXKWVIFSA-N -1 3 346.724 3.694 20 30 EHEDHM COCCOc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000080453270 1032063862 /nfs/dbraw/zinc/06/38/62/1032063862.db2.gz PFJSHFMWYJOOKR-HNNXBMFYSA-N -1 3 344.436 3.782 20 30 EHEDHM COc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1OC ZINC000080454960 1032066605 /nfs/dbraw/zinc/06/66/05/1032066605.db2.gz NHQIVMFGNNMHNH-GFCCVEGCSA-N -1 3 330.409 3.774 20 30 EHEDHM C#C[C@@H](NCc1ccccc1OCc1ccc(C(=O)[O-])cc1)C(C)C ZINC001588377201 983355632 /nfs/dbraw/zinc/35/56/32/983355632.db2.gz JSBOAGJVTGEJAW-LJQANCHMSA-N -1 3 337.419 3.711 20 30 EHEDHM CCN(Cc1cccc(C(=O)[O-])c1C#N)[C@H](C)Cc1ccsc1 ZINC001596364364 983844974 /nfs/dbraw/zinc/84/49/74/983844974.db2.gz AJEJJXCNDVCOFX-CYBMUJFWSA-N -1 3 328.437 3.771 20 30 EHEDHM COc1cc(C(=O)/C=C\c2cc(Cl)ccc2[N+](=O)[O-])ccc1[O-] ZINC000254912538 1015006369 /nfs/dbraw/zinc/00/63/69/1015006369.db2.gz CWNWVZDCUSQPJT-KXFIGUGUSA-N -1 3 333.727 3.859 20 30 EHEDHM C=CCOc1ccc(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001588873782 984445858 /nfs/dbraw/zinc/44/58/58/984445858.db2.gz LSVBGCHOCMGPPA-ZDUSSCGKSA-N -1 3 327.380 3.506 20 30 EHEDHM CN(Cc1ccc(Cl)c(F)c1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001598517647 992636755 /nfs/dbraw/zinc/63/67/55/992636755.db2.gz FLWCSIBJFMTFKP-INIZCTEOSA-N -1 3 332.762 3.608 20 30 EHEDHM Cc1ccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)c([O-])c1 ZINC000024505993 1018061165 /nfs/dbraw/zinc/06/11/65/1018061165.db2.gz MASJJVDNOHOKKU-UHFFFAOYSA-N -1 3 333.309 3.501 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(c1ccccc1)[C@H]1C[C@H]1C ZINC000415885750 1018624920 /nfs/dbraw/zinc/62/49/20/1018624920.db2.gz CWCRACFANUJXHC-YJYMSZOUSA-N -1 3 349.434 3.650 20 30 EHEDHM N#Cc1ccc(NCc2ccc([O-])c(Br)c2)c([N+](=O)[O-])c1 ZINC000096601095 1020501181 /nfs/dbraw/zinc/50/11/81/1020501181.db2.gz DALVDOVFQPWEKR-UHFFFAOYSA-N -1 3 348.156 3.547 20 30 EHEDHM CCc1ccc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c([O-])c1 ZINC000436835847 1021268740 /nfs/dbraw/zinc/26/87/40/1021268740.db2.gz XKMLWGAOTNQINH-OALUTQOASA-N -1 3 334.419 3.867 20 30 EHEDHM O=C([N-][C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)C1(F)CC1 ZINC000843575028 1021849349 /nfs/dbraw/zinc/84/93/49/1021849349.db2.gz XUMKQVISSNERGT-VIFPVBQESA-N -1 3 329.215 3.927 20 30 EHEDHM N#CCN(Cc1ccccc1)Cc1cccc([O-])c1Br ZINC001140550921 1025213828 /nfs/dbraw/zinc/21/38/28/1025213828.db2.gz POGFHWDLRZQGCR-UHFFFAOYSA-N -1 3 331.213 3.680 20 30 EHEDHM Cn1c(C(C#N)=C([O-])c2ccc3ccccc3n2)nc2ccccc21 ZINC000122632477 1026628512 /nfs/dbraw/zinc/62/85/12/1026628512.db2.gz ACYHVIANILQGSV-CQSZACIVSA-N -1 3 326.359 3.612 20 30 EHEDHM [O-]c1c(O)ccc(C=Nc2ccc(Br)cc2Cl)c1O ZINC000255558699 1028360519 /nfs/dbraw/zinc/36/05/19/1028360519.db2.gz RXPYQNWWMVTBSJ-UHFFFAOYSA-N -1 3 342.576 3.970 20 30 EHEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC001213215860 1028900494 /nfs/dbraw/zinc/90/04/94/1028900494.db2.gz IQSILWCRXGABBK-UHFFFAOYSA-N -1 3 336.482 3.833 20 30 EHEDHM Cc1c(C(=O)N([O-])Cc2ccccc2Cl)oc2c1C(=O)CCC2 ZINC000904187871 1031803365 /nfs/dbraw/zinc/80/33/65/1031803365.db2.gz VQQNFQYUXBZDEF-UHFFFAOYSA-N -1 3 333.771 3.792 20 30 EHEDHM N#C[C@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CCCCC1 ZINC000598900281 1033559360 /nfs/dbraw/zinc/55/93/60/1033559360.db2.gz IEBGVKGAOFUZAY-AWEZNQCLSA-N -1 3 326.318 3.613 20 30 EHEDHM [O-]c1ccc(C=NNc2ccc(OCC(F)(F)F)cc2)cc1F ZINC000755689545 1033726131 /nfs/dbraw/zinc/72/61/31/1033726131.db2.gz UDBNQPLDEKZZRU-UHFFFAOYSA-N -1 3 328.265 3.918 20 30 EHEDHM CN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])[C@H]1CCC[C@@H]1C#N ZINC000601809534 1034760063 /nfs/dbraw/zinc/76/00/63/1034760063.db2.gz FRFVJGRKIAPGJK-MJGOQNOKSA-N -1 3 334.419 3.747 20 30 EHEDHM C=CCCN(OCc1ccccc1)C(=O)c1c[n-]c2ccccc2c1=O ZINC000189894008 1036146701 /nfs/dbraw/zinc/14/67/01/1036146701.db2.gz PNDGBXMQUXBXTR-UHFFFAOYSA-N -1 3 348.402 3.678 20 30 EHEDHM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000464415757 1036418744 /nfs/dbraw/zinc/41/87/44/1036418744.db2.gz AWXUDJFNIHEWGQ-ZDUSSCGKSA-N -1 3 335.256 3.600 20 30 EHEDHM N#CC(=C([O-])c1cnn(-c2ccccc2)c1C1CC1)c1ccccn1 ZINC000041481459 1038227325 /nfs/dbraw/zinc/22/73/25/1038227325.db2.gz WNHFHSBAYRZPNM-MRXNPFEDSA-N -1 3 328.375 3.635 20 30 EHEDHM CC1(C)CCc2sc([N-]C(=O)c3cnc(C4CC4)o3)c(C#N)c21 ZINC000906264012 1039446193 /nfs/dbraw/zinc/44/61/93/1039446193.db2.gz CDAAASVEOYSBCX-UHFFFAOYSA-N -1 3 327.409 3.961 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2ccoc2c1 ZINC000343969318 1042978242 /nfs/dbraw/zinc/97/82/42/1042978242.db2.gz VWQTZWOSEPNBKA-UHFFFAOYSA-N -1 3 335.363 3.593 20 30 EHEDHM CC(C)c1cc([N-]S(=O)(=O)c2ccc(CCC#N)cc2)ccc1O ZINC000901693673 1126928529 /nfs/dbraw/zinc/92/85/29/1126928529.db2.gz NATHDIHYJAQVGH-UHFFFAOYSA-N -1 3 344.436 3.773 20 30 EHEDHM CN(C)c1ccc([C@@H]2C[C@H]2C(=O)N([O-])Cc2ccccc2Cl)cc1 ZINC001649046608 1127998312 /nfs/dbraw/zinc/99/83/12/1127998312.db2.gz ZSWBRAGAMZYWGU-DLBZAZTESA-N -1 3 344.842 3.928 20 30 EHEDHM CCCCCCN([O-])C(=O)[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001649056455 1128056336 /nfs/dbraw/zinc/05/63/36/1128056336.db2.gz AHFGDWYWUVIGBV-UONOGXRCSA-N -1 3 342.480 3.724 20 30 EHEDHM O=C(c1ccc2c(=O)[nH]cnc2c1)N([O-])Cc1cccc2ccccc21 ZINC001649069921 1128135042 /nfs/dbraw/zinc/13/50/42/1128135042.db2.gz MDYOMRPDMMVDLF-UHFFFAOYSA-N -1 3 345.358 3.520 20 30 EHEDHM COc1cc(F)ccc1[N-][NH+]=C(C)c1ccc(N2CCCC2)cc1[O-] ZINC000761890007 1121003358 /nfs/dbraw/zinc/00/33/58/1121003358.db2.gz JOFNZEGJFSAFNU-UHFFFAOYSA-N -1 3 343.402 3.976 20 30 EHEDHM COC(=O)Nc1ccc(C(=O)OCCC2(C#N)CCCCC2)cc1[O-] ZINC000496990870 1122238088 /nfs/dbraw/zinc/23/80/88/1122238088.db2.gz PCPXRHUUXYWKKN-UHFFFAOYSA-N -1 3 346.383 3.591 20 30 EHEDHM C=CCN(C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)C(C)C ZINC000916709797 1122327577 /nfs/dbraw/zinc/32/75/77/1122327577.db2.gz WCOXNXDGTNDVNC-UHFFFAOYSA-N -1 3 326.400 3.586 20 30 EHEDHM CCOc1cc(C=NNCc2ccc(OC)cc2)cc(Cl)c1[O-] ZINC000917547686 1122627973 /nfs/dbraw/zinc/62/79/73/1122627973.db2.gz YNVWRUBTAPLUCO-UHFFFAOYSA-N -1 3 334.803 3.577 20 30 EHEDHM CCn1c2ccc(C#N)cc2nc1-c1cc(Cl)c([O-])c(OC)c1 ZINC000155092318 1123154794 /nfs/dbraw/zinc/15/47/94/1123154794.db2.gz LGCOLYJDBLNRLY-UHFFFAOYSA-N -1 3 327.771 3.962 20 30 EHEDHM Cc1cc(C([O-])=C(C#N)c2ccccn2)nn1-c1cc(C)cc(C)c1 ZINC000179849363 1123873251 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N#Cc1ccc(NC(=S)NCc2ccc([O-])c(F)c2)cc1Cl ZINC000737461323 1131702066 /nfs/dbraw/zinc/70/20/66/1131702066.db2.gz MOEFAIHDUSAHFK-UHFFFAOYSA-N -1 3 335.791 3.543 20 30 EHEDHM C#CC[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccccc1 ZINC000766521155 1132595388 /nfs/dbraw/zinc/59/53/88/1132595388.db2.gz VWHYXHJMMJXWDT-HNNXBMFYSA-N -1 3 337.803 3.522 20 30 EHEDHM N#Cc1cccc(C(F)(F)F)c1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175430500 1132666381 /nfs/dbraw/zinc/66/63/81/1132666381.db2.gz UUNWYEMMIXLWIG-UHFFFAOYSA-N -1 3 330.273 3.501 20 30 EHEDHM COc1cc(Br)c([O-])c(Nc2ccc(F)c(C#N)c2)c1 ZINC001176618250 1132972241 /nfs/dbraw/zinc/97/22/41/1132972241.db2.gz XVYHGZFTARRRNJ-UHFFFAOYSA-N -1 3 337.148 3.918 20 30 EHEDHM COc1cc(/C=C\C(=O)c2cscn2)cc(Br)c1[O-] ZINC000769261677 1133252046 /nfs/dbraw/zinc/25/20/46/1133252046.db2.gz SSHIRYGKDJKUDG-IHWYPQMZSA-N -1 3 340.198 3.516 20 30 EHEDHM CC(=NNCc1ccc(C#N)cc1)c1cc(Br)ccc1[O-] ZINC000769816549 1133350635 /nfs/dbraw/zinc/35/06/35/1133350635.db2.gz VETAVAPROQALHO-UHFFFAOYSA-N 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CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000811186906 1136056546 /nfs/dbraw/zinc/05/65/46/1136056546.db2.gz CVRHVPGDUZKLJQ-CYBMUJFWSA-N -1 3 337.375 3.815 20 30 EHEDHM CCC(=NOCCOC(C)C)c1cc(Br)ccc1[O-] ZINC000812237953 1136187590 /nfs/dbraw/zinc/18/75/90/1136187590.db2.gz PMLHZDQZNABWBS-UHFFFAOYSA-N -1 3 330.222 3.710 20 30 EHEDHM CC(C)Oc1ccc([C@@H](O)C/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000115961605 1136952674 /nfs/dbraw/zinc/95/26/74/1136952674.db2.gz XLFZDRIMLOALGM-HGMDMCOWSA-N -1 3 333.815 3.985 20 30 EHEDHM N#Cc1cc(NC(=O)Cc2ccc(F)c(C(F)(F)F)c2)ccc1[O-] ZINC001143690319 1137189686 /nfs/dbraw/zinc/18/96/86/1137189686.db2.gz WFOYVOZDEZGPFO-UHFFFAOYSA-N -1 3 338.260 3.603 20 30 EHEDHM O=C1CCC(=O)N1c1cc(N=Cc2cc(Cl)ccc2[O-])ccc1F ZINC000794689989 1137233495 /nfs/dbraw/zinc/23/34/95/1137233495.db2.gz VXBQJMPKKFODFO-UHFFFAOYSA-N -1 3 346.745 3.589 20 30 EHEDHM CCc1ccc(OCC(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)cc1 ZINC000845836720 1137314654 /nfs/dbraw/zinc/31/46/54/1137314654.db2.gz LJHAMYKLUANJMZ-LJQANCHMSA-N -1 3 347.414 3.638 20 30 EHEDHM CC[C@@H](CC(F)(F)F)C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845842100 1137315470 /nfs/dbraw/zinc/31/54/70/1137315470.db2.gz DGRPEOSOQNCCBS-JSGCOSHPSA-N -1 3 337.341 3.975 20 30 EHEDHM COc1cc(C(=O)C=Cc2c[nH]nc2-c2ccccc2F)ccc1[O-] ZINC000126160866 1137661830 /nfs/dbraw/zinc/66/18/30/1137661830.db2.gz KPNANSDSAREDOS-BQYQJAHWSA-N -1 3 338.338 3.826 20 30 EHEDHM CCc1c(C)sc([N-]C(=O)c2coc(C3CCOCC3)n2)c1C#N ZINC000337810817 1138673740 /nfs/dbraw/zinc/67/37/40/1138673740.db2.gz MHWOSHVLDJYCBF-UHFFFAOYSA-N -1 3 345.424 3.625 20 30 EHEDHM CCSCc1cc(C(=O)[N-]c2sc3c(c2C#N)CCCC3)no1 ZINC000184694138 1140116015 /nfs/dbraw/zinc/11/60/15/1140116015.db2.gz MNIOJORGBWFJER-UHFFFAOYSA-N -1 3 347.465 3.992 20 30 EHEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ncccc1[O-] ZINC000348779352 1141578461 /nfs/dbraw/zinc/57/84/61/1141578461.db2.gz AYANMFQBDDMULW-GFCCVEGCSA-N -1 3 342.424 3.503 20 30 EHEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ncccc1[O-] ZINC000348779353 1141578589 /nfs/dbraw/zinc/57/85/89/1141578589.db2.gz AYANMFQBDDMULW-LBPRGKRZSA-N -1 3 342.424 3.503 20 30 EHEDHM Cc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1C ZINC000822233963 599111822 /nfs/dbraw/zinc/11/18/22/599111822.db2.gz YSJRKOWQXUJMDJ-YBEGLDIGSA-N -1 3 330.391 3.696 20 30 EHEDHM Cc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1C ZINC000822233963 599111826 /nfs/dbraw/zinc/11/18/26/599111826.db2.gz YSJRKOWQXUJMDJ-YBEGLDIGSA-N -1 3 330.391 3.696 20 30 EHEDHM Cc1ccc(C)c(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1 ZINC000822231880 599117390 /nfs/dbraw/zinc/11/73/90/599117390.db2.gz KVNGHNPRMJDLMW-RVDMUPIBSA-N -1 3 330.391 3.696 20 30 EHEDHM Cc1ccc(C)c(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1 ZINC000822231880 599117393 /nfs/dbraw/zinc/11/73/93/599117393.db2.gz KVNGHNPRMJDLMW-RVDMUPIBSA-N -1 3 330.391 3.696 20 30 EHEDHM CSc1ccc(C(C)=NNc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000737193069 599126970 /nfs/dbraw/zinc/12/69/70/599126970.db2.gz POTWHJDOTWBLRU-UHFFFAOYSA-N -1 3 342.403 3.564 20 30 EHEDHM CSc1ccc(C(C)=NNc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000737193069 599126972 /nfs/dbraw/zinc/12/69/72/599126972.db2.gz POTWHJDOTWBLRU-UHFFFAOYSA-N -1 3 342.403 3.564 20 30 EHEDHM Cc1cc(C)c(-c2nnn[n-]2)c(S[C@H](C)c2ccc(C#N)cc2)n1 ZINC000737240988 599285997 /nfs/dbraw/zinc/28/59/97/599285997.db2.gz NUOGHIDVOVHBQE-GFCCVEGCSA-N -1 3 336.424 3.604 20 30 EHEDHM Cc1cc(C)c(-c2nn[n-]n2)c(S[C@H](C)c2ccc(C#N)cc2)n1 ZINC000737240988 599285999 /nfs/dbraw/zinc/28/59/99/599285999.db2.gz NUOGHIDVOVHBQE-GFCCVEGCSA-N -1 3 336.424 3.604 20 30 EHEDHM CCc1oc2ccccc2c1C=NOCc1ccc(-c2nnn[n-]2)cc1 ZINC000736713019 598473120 /nfs/dbraw/zinc/47/31/20/598473120.db2.gz LWMKHGIBFCKUNA-UHFFFAOYSA-N -1 3 347.378 3.726 20 30 EHEDHM CCc1oc2ccccc2c1C=NOCc1ccc(-c2nn[n-]n2)cc1 ZINC000736713019 598473122 /nfs/dbraw/zinc/47/31/22/598473122.db2.gz LWMKHGIBFCKUNA-UHFFFAOYSA-N -1 3 347.378 3.726 20 30 EHEDHM CCC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)s1 ZINC000736304171 598820323 /nfs/dbraw/zinc/82/03/23/598820323.db2.gz LMXMXJGGZMLHQT-UHFFFAOYSA-N -1 3 332.820 3.808 20 30 EHEDHM C[C@H](N=Cc1c(O)ccc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820306766 599398721 /nfs/dbraw/zinc/39/87/21/599398721.db2.gz FEPABODWIKCCSH-KUARTLJMSA-N -1 3 343.390 3.906 20 30 EHEDHM CN(Cc1cc(Cl)ccc1OCC#N)[C@H](C(=O)[O-])c1ccccc1 ZINC000737451130 600215023 /nfs/dbraw/zinc/21/50/23/600215023.db2.gz JLXIOYDGLLFRBF-KRWDZBQOSA-N -1 3 344.798 3.500 20 30 EHEDHM CCCOc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000829528028 601303017 /nfs/dbraw/zinc/30/30/17/601303017.db2.gz OPYGKDFWXJAUOU-KUHUBIRLSA-N -1 3 338.407 3.824 20 30 EHEDHM C[C@H](C(=O)[O-])[C@@H](NCC#Cc1cccc(Cl)c1)c1ccccc1 ZINC000833412672 604954733 /nfs/dbraw/zinc/95/47/33/604954733.db2.gz WLRFGBMGSVKVEC-KBXCAEBGSA-N -1 3 327.811 3.743 20 30 EHEDHM C=CCC[C@@H](NCC(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000833372903 605144154 /nfs/dbraw/zinc/14/41/54/605144154.db2.gz AMCOGSLWRYTGPC-GOSISDBHSA-N -1 3 338.407 3.620 20 30 EHEDHM CC(C)c1ccc([C@H](C)NN=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000820192302 606205034 /nfs/dbraw/zinc/20/50/34/606205034.db2.gz IQBBFZHLNSJBAV-LBPRGKRZSA-N -1 3 340.456 3.736 20 30 EHEDHM CC(C)c1ccc([C@H](C)NN=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000820192302 606205036 /nfs/dbraw/zinc/20/50/36/606205036.db2.gz IQBBFZHLNSJBAV-LBPRGKRZSA-N -1 3 340.456 3.736 20 30 EHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1cc2c(s1)CCCC2 ZINC000822923432 606977908 /nfs/dbraw/zinc/97/79/08/606977908.db2.gz ROVQDGGXANLKJR-JXMROGBWSA-N -1 3 336.420 3.703 20 30 EHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1cc2c(s1)CCCC2 ZINC000822923432 606977910 /nfs/dbraw/zinc/97/79/10/606977910.db2.gz ROVQDGGXANLKJR-JXMROGBWSA-N -1 3 336.420 3.703 20 30 EHEDHM N#Cc1cc(F)ccc1CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826384537 607844777 /nfs/dbraw/zinc/84/47/77/607844777.db2.gz ZGHFURFVKUQFFE-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM N#Cc1cc(F)ccc1CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826384537 607844778 /nfs/dbraw/zinc/84/47/78/607844778.db2.gz 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/nfs/dbraw/zinc/53/56/92/608535692.db2.gz IVOYCHNZSLFOBE-UHFFFAOYSA-N -1 3 335.843 3.775 20 30 EHEDHM CCC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)C1CCCCC1 ZINC000825029255 608538656 /nfs/dbraw/zinc/53/86/56/608538656.db2.gz PTNATOCGFBOZPZ-UHFFFAOYSA-N -1 3 333.827 3.673 20 30 EHEDHM CCC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)C1CCCCC1 ZINC000825029255 608538658 /nfs/dbraw/zinc/53/86/58/608538658.db2.gz PTNATOCGFBOZPZ-UHFFFAOYSA-N -1 3 333.827 3.673 20 30 EHEDHM C[C@@H]1CC(=Cc2ccc(F)c(-c3nnn[n-]3)c2)C(=O)c2ccccc21 ZINC000824857810 608879604 /nfs/dbraw/zinc/87/96/04/608879604.db2.gz FXXRQQVEWYKNNO-NASPGAHYSA-N -1 3 334.354 3.779 20 30 EHEDHM C[C@@H]1CC(=Cc2ccc(F)c(-c3nn[n-]n3)c2)C(=O)c2ccccc21 ZINC000824857810 608879606 /nfs/dbraw/zinc/87/96/06/608879606.db2.gz FXXRQQVEWYKNNO-NASPGAHYSA-N -1 3 334.354 3.779 20 30 EHEDHM C[C@@H](SCc1ccc(CC#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824756531 609487212 /nfs/dbraw/zinc/48/72/12/609487212.db2.gz ONZZQNUTUPYSGM-CYBMUJFWSA-N -1 3 335.436 3.927 20 30 EHEDHM C[C@@H](SCc1ccc(CC#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824756531 609487213 /nfs/dbraw/zinc/48/72/13/609487213.db2.gz ONZZQNUTUPYSGM-CYBMUJFWSA-N -1 3 335.436 3.927 20 30 EHEDHM C=C(C)c1cccc(NC(=O)[C@@H](C)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001573294504 946990835 /nfs/dbraw/zinc/99/08/35/946990835.db2.gz GNRPFJISQMAAPN-AWEZNQCLSA-N -1 3 347.422 3.717 20 30 EHEDHM C=C(C)c1cccc(NC(=O)[C@@H](C)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001573294504 946990840 /nfs/dbraw/zinc/99/08/40/946990840.db2.gz GNRPFJISQMAAPN-AWEZNQCLSA-N -1 3 347.422 3.717 20 30 EHEDHM COc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1OC ZINC000080454957 1032068405 /nfs/dbraw/zinc/06/84/05/1032068405.db2.gz NHQIVMFGNNMHNH-LBPRGKRZSA-N -1 3 330.409 3.774 20 30 EHEDHM C=C(C)COc1cc(CNCc2cccc(C(=O)[O-])c2)ccc1OC ZINC000683176453 976078838 /nfs/dbraw/zinc/07/88/38/976078838.db2.gz KDSYKSZWOPLEJL-UHFFFAOYSA-N -1 3 341.407 3.638 20 30 EHEDHM CC(C)c1ccc2c(c1)CCN([C@@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC001591974634 976591777 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CCc1c(C)sc([N-]C(=O)c2cc(-c3cccnc3)on2)c1C#N ZINC000340703687 1032879495 /nfs/dbraw/zinc/87/94/95/1032879495.db2.gz CCHWETATQMBAGH-UHFFFAOYSA-N -1 3 338.392 3.793 20 30 EHEDHM COc1cc(C(=O)/C=C\c2ccc(OCC(F)F)cc2)ccc1[O-] ZINC000255304830 1020902948 /nfs/dbraw/zinc/90/29/48/1020902948.db2.gz VCKIGVFBFNHXJH-YWEYNIOJSA-N -1 3 334.318 3.941 20 30 EHEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000341535246 1022159307 /nfs/dbraw/zinc/15/93/07/1022159307.db2.gz RXARENTULSWPPS-FUHWJXTLSA-N -1 3 340.810 3.958 20 30 EHEDHM Cc1csc(C(C#N)=C([O-])c2ccc(O[C@H]3CC3(F)F)cc2)n1 ZINC000528906021 1033048945 /nfs/dbraw/zinc/04/89/45/1033048945.db2.gz CSDTZBROSFSXON-OLZOCXBDSA-N -1 3 334.347 3.728 20 30 EHEDHM N#Cc1ccc(Nc2cccc(C(=O)Nc3ncccc3[O-])c2)cc1 ZINC000341884129 1023533568 /nfs/dbraw/zinc/53/35/68/1023533568.db2.gz FVFRGGYYDMNHHL-UHFFFAOYSA-N -1 3 330.347 3.655 20 30 EHEDHM N#Cc1ccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c(Cl)c1 ZINC000471987043 1023875619 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EHEDHM [O-]c1c(O)ccc(C=Nc2cccc(COCc3ccco3)c2)c1O ZINC000255754824 1034315739 /nfs/dbraw/zinc/31/57/39/1034315739.db2.gz KOHJFHAHPKSHMK-UHFFFAOYSA-N -1 3 339.347 3.864 20 30 EHEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])C=Cc1ccco1 ZINC000129630666 1035810751 /nfs/dbraw/zinc/81/07/51/1035810751.db2.gz SMZXDHJRTRKCGP-RNZFLTOJSA-N -1 3 349.173 3.947 20 30 EHEDHM CC1(C)CCCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)[C@H]1C#N ZINC000590449059 1036888124 /nfs/dbraw/zinc/88/81/24/1036888124.db2.gz OWFASKNSRAPFFR-ZDUSSCGKSA-N -1 3 326.318 3.565 20 30 EHEDHM CCC1CCC(N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1 ZINC000298341412 1037322543 /nfs/dbraw/zinc/32/25/43/1037322543.db2.gz FCZCDIPVBAMDME-UHFFFAOYSA-N -1 3 343.471 3.636 20 30 EHEDHM C=CCC[C@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])c1ccccc1 ZINC000123592146 1038041827 /nfs/dbraw/zinc/04/18/27/1038041827.db2.gz DAMCASGRESZOOO-SFHVURJKSA-N -1 3 338.407 3.788 20 30 EHEDHM Cc1cc(C)cc(-c2cc(=NC(=O)[C@@H](C)c3cccc(C#N)c3)[nH][n-]2)c1 ZINC000462021649 1038723703 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Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000063878495 1128903744 /nfs/dbraw/zinc/90/37/44/1128903744.db2.gz UIUPOTIETTXPPN-UHFFFAOYSA-N -1 3 344.436 3.763 20 30 EHEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ccc(F)c(F)c1 ZINC000916910089 1122392670 /nfs/dbraw/zinc/39/26/70/1122392670.db2.gz QALVQNZBDHSRLU-SNVBAGLBSA-N -1 3 334.709 3.579 20 30 EHEDHM CCCC[C@H](CC)COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000918493532 1122825086 /nfs/dbraw/zinc/82/50/86/1122825086.db2.gz AMMCFZKHJLSUBF-HNNXBMFYSA-N -1 3 332.444 3.968 20 30 EHEDHM COc1ccc(-c2ncc(C([O-])=C(C#N)c3ccccn3)s2)cc1 ZINC000076824401 1123520661 /nfs/dbraw/zinc/52/06/61/1123520661.db2.gz ORPXZXKPOCWZLL-AWEZNQCLSA-N -1 3 335.388 3.704 20 30 EHEDHM Cc1nn(-c2ccc(Cl)cc2)cc1C([O-])=C(C#N)c1ccccn1 ZINC000076824272 1123520806 /nfs/dbraw/zinc/52/08/06/1123520806.db2.gz DLYQFSNWYSRRBQ-HNNXBMFYSA-N -1 3 336.782 3.719 20 30 EHEDHM Cc1cc(C([O-])=C(C#N)c2ccccn2)nn1-c1cccc(Cl)c1 ZINC000179849006 1123873556 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N#Cc1cc(Nc2cc(C(=O)N3CCCCC3)ccc2F)ccc1[O-] ZINC001176691330 1132983486 /nfs/dbraw/zinc/98/34/86/1132983486.db2.gz XCSVQXSBWHQRBK-UHFFFAOYSA-N -1 3 339.370 3.773 20 30 EHEDHM N#Cc1cc(NC(=O)/C=C/c2c(F)ccc(F)c2Cl)ccc1[O-] ZINC001179771476 1133277128 /nfs/dbraw/zinc/27/71/28/1133277128.db2.gz GVLSCPYQRKDNAD-QHHAFSJGSA-N -1 3 334.709 3.847 20 30 EHEDHM CCc1cc(N=NC(C)c2sccc2[O-])nc(-c2ccccn2)n1 ZINC000769779535 1133341971 /nfs/dbraw/zinc/34/19/71/1133341971.db2.gz LWHQUJIJWNHZJY-UHFFFAOYSA-N -1 3 339.424 3.704 20 30 EHEDHM COc1cc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@H]2C)ccc1[N+](=O)[O-] ZINC000770570366 1133445397 /nfs/dbraw/zinc/44/53/97/1133445397.db2.gz ADPQLRPAGJZRFG-MKVDPYIPSA-N -1 3 343.310 3.832 20 30 EHEDHM Cc1cc(C(F)(F)F)ccc1C/N=C\c1c([O-])c(C)ncc1CO ZINC000786028618 1133787982 /nfs/dbraw/zinc/78/79/82/1133787982.db2.gz WPVYVLPVWALOSD-WNFQYIGGSA-N -1 3 338.329 3.534 20 30 EHEDHM C=CCN(Cc1cccs1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774820874 1134032259 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N#Cc1c([N-]C(=S)NC(=O)c2ccccc2)sc2ccccc12 ZINC001195383762 1135421643 /nfs/dbraw/zinc/42/16/43/1135421643.db2.gz XEDJBNGEALDYRA-UHFFFAOYSA-N -1 3 337.429 3.900 20 30 EHEDHM COc1cc(C(=O)/C=C\c2ccc(OC)c(OC)c2C)ccc1[O-] ZINC000806570393 1135462457 /nfs/dbraw/zinc/46/24/57/1135462457.db2.gz YKGXWDKWJVWIMK-YVMONPNESA-N -1 3 328.364 3.623 20 30 EHEDHM N#Cc1cc(NC(=O)c2ccnc(Cl)c2C(F)(F)F)ccc1[O-] ZINC001197791114 1135737961 /nfs/dbraw/zinc/73/79/61/1135737961.db2.gz JHKWKAIRFYADTL-UHFFFAOYSA-N -1 3 341.676 3.583 20 30 EHEDHM CC(=Nn1cc(Br)cn1)c1ccc2ccccc2c1[O-] ZINC000752742842 1136075048 /nfs/dbraw/zinc/07/50/48/1136075048.db2.gz KTXFCFVQEFKLAS-UHFFFAOYSA-N -1 3 330.185 3.777 20 30 EHEDHM [O-]c1cc(C=Nn2cnnc2-c2ccccc2)cc(C(F)(F)F)c1 ZINC000811637297 1136115124 /nfs/dbraw/zinc/11/51/24/1136115124.db2.gz ZBUAJCOAYZGCTP-UHFFFAOYSA-N -1 3 332.285 3.552 20 30 EHEDHM CCOc1cc(C=NOC/C=C/Cl)cc(Br)c1[O-] ZINC000811669429 1136119763 /nfs/dbraw/zinc/11/97/63/1136119763.db2.gz OVUYTBXMRYTSSW-KTAVOSRASA-N -1 3 334.597 3.656 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C(F)F)cc1 ZINC000885576522 1136279751 /nfs/dbraw/zinc/27/97/51/1136279751.db2.gz JIQPEVOTMUBVQL-UHFFFAOYSA-N -1 3 345.349 3.785 20 30 EHEDHM CC(F)(F)C(=O)[N-][C@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000815319532 1136582561 /nfs/dbraw/zinc/58/25/61/1136582561.db2.gz IXNLILHNNBPJTI-MRXNPFEDSA-N -1 3 330.334 3.602 20 30 EHEDHM C#Cc1cccc(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)c1 ZINC001135436642 1136684666 /nfs/dbraw/zinc/68/46/66/1136684666.db2.gz RNFJVFSJVITDRJ-UHFFFAOYSA-N -1 3 343.408 3.724 20 30 EHEDHM S=c1[n-]c2ccccc2nc1N=NCC1CCC2(CC1)OCCO2 ZINC000863128215 1137170916 /nfs/dbraw/zinc/17/09/16/1137170916.db2.gz HZFUAXAUPVZIJG-UHFFFAOYSA-N -1 3 344.440 3.623 20 30 EHEDHM COc1cc(C=NNCc2ccc(Cl)cc2)cc(Cl)c1[O-] ZINC000864027056 1137212247 /nfs/dbraw/zinc/21/22/47/1137212247.db2.gz PUAXYEADAUVSJU-UHFFFAOYSA-N -1 3 325.195 3.831 20 30 EHEDHM C=C[C@@H](C)O[N-]C(=O)CCc1cccc(OCc2ccccc2)c1 ZINC001144589171 1137313580 /nfs/dbraw/zinc/31/35/80/1137313580.db2.gz JOGGFOAXIQWOOA-MRXNPFEDSA-N -1 3 325.408 3.821 20 30 EHEDHM CC(C)COC[C@@H](N[C@H](C)c1cccc(C#N)c1[O-])c1ccco1 ZINC000866252824 1137339655 /nfs/dbraw/zinc/33/96/55/1137339655.db2.gz QXJCUVVAMNWRIW-RHSMWYFYSA-N -1 3 328.412 3.921 20 30 EHEDHM C=C[C@@H](C)O[N-]C(=O)CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000846545985 1137354868 /nfs/dbraw/zinc/35/48/68/1137354868.db2.gz RDUYHEXVUIPQPM-ZBFHGGJFSA-N -1 3 348.443 3.655 20 30 EHEDHM C=C(C)CO[N-]C(=O)C[C@H](C)c1ccc(F)c(Br)c1 ZINC000846533974 1137355533 /nfs/dbraw/zinc/35/55/33/1137355533.db2.gz QNSPJHWFFHWSRE-JTQLQIEISA-N -1 3 330.197 3.706 20 30 EHEDHM C=C(C)CO[N-]C(=O)CCCCOc1ccc(Br)cc1 ZINC000846539412 1137355873 /nfs/dbraw/zinc/35/58/73/1137355873.db2.gz WSRTUEWLBLGRRR-UHFFFAOYSA-N -1 3 342.233 3.622 20 30 EHEDHM O=C(C=Cc1c(F)ccc([O-])c1F)c1ccc(C(F)(F)F)[nH]c1=O ZINC000794935988 1137371322 /nfs/dbraw/zinc/37/13/22/1137371322.db2.gz BYHSQEVVBFWRKO-DAFODLJHSA-N -1 3 345.223 3.686 20 30 EHEDHM O=C1c2cc([N+](=O)[O-])ccc2CC/C1=C/c1c(F)ccc([O-])c1F ZINC000794944214 1137372866 /nfs/dbraw/zinc/37/28/66/1137372866.db2.gz RAQHMPGHSABBKB-YFHOEESVSA-N -1 3 331.274 3.791 20 30 EHEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2coc(-c3ccccc3)n2)c1 ZINC000121685389 1137381891 /nfs/dbraw/zinc/38/18/91/1137381891.db2.gz YTAZVUHVQCZAIK-INIZCTEOSA-N -1 3 345.358 3.611 20 30 EHEDHM COc1cc(C(=O)/C=C/c2ccc(N(C)C)c(F)c2)c(OC)cc1[O-] ZINC000122522155 1137447370 /nfs/dbraw/zinc/44/73/70/1137447370.db2.gz UNKWKCAPAXEVAZ-SOFGYWHQSA-N -1 3 345.370 3.511 20 30 EHEDHM Cc1cccc(CC(N=Nc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000737392576 599458266 /nfs/dbraw/zinc/45/82/66/599458266.db2.gz YZLYEKXYZCDTMD-UHFFFAOYSA-N -1 3 332.411 3.596 20 30 EHEDHM Cc1cccc(CC(N=Nc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000737392576 599458268 /nfs/dbraw/zinc/45/82/68/599458268.db2.gz YZLYEKXYZCDTMD-UHFFFAOYSA-N -1 3 332.411 3.596 20 30 EHEDHM C=CCCCN(C)c1c(-c2nnn[n-]2)cnc2c(F)ccc(Cl)c21 ZINC000735413697 599471957 /nfs/dbraw/zinc/47/19/57/599471957.db2.gz XXCJDJAMWZEIFR-UHFFFAOYSA-N -1 3 346.797 3.610 20 30 EHEDHM C=CCCCN(C)c1c(-c2nn[n-]n2)cnc2c(F)ccc(Cl)c21 ZINC000735413697 599471959 /nfs/dbraw/zinc/47/19/59/599471959.db2.gz XXCJDJAMWZEIFR-UHFFFAOYSA-N -1 3 346.797 3.610 20 30 EHEDHM N#CC(C(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc2ccccc2n1 ZINC000739072972 600099933 /nfs/dbraw/zinc/09/99/33/600099933.db2.gz ATAOYWHIIVDNHS-QGZVFWFLSA-N -1 3 344.370 3.742 20 30 EHEDHM CCc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000821476647 607457604 /nfs/dbraw/zinc/45/76/04/607457604.db2.gz QRROROPNHKOAQG-ALCCZGGFSA-N -1 3 328.372 3.526 20 30 EHEDHM CCc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000821476647 607457606 /nfs/dbraw/zinc/45/76/06/607457606.db2.gz QRROROPNHKOAQG-ALCCZGGFSA-N -1 3 328.372 3.526 20 30 EHEDHM N#CCC[C@@H](Nc1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000826381189 607678887 /nfs/dbraw/zinc/67/88/87/607678887.db2.gz ARSWTNYZDWUICO-OAHLLOKOSA-N -1 3 340.337 3.602 20 30 EHEDHM N#CCC[C@@H](Nc1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000826381189 607678889 /nfs/dbraw/zinc/67/88/89/607678889.db2.gz ARSWTNYZDWUICO-OAHLLOKOSA-N -1 3 340.337 3.602 20 30 EHEDHM C=CCN(Cc1ccccc1)Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000833376254 604551553 /nfs/dbraw/zinc/55/15/53/604551553.db2.gz PMXOFFJGYHUMQP-INIZCTEOSA-N -1 3 325.408 3.727 20 30 EHEDHM CC(C)(C(=O)[O-])[C@H](NCc1cccc(C#N)c1F)c1ccccc1 ZINC000833412975 605180366 /nfs/dbraw/zinc/18/03/66/605180366.db2.gz FTENZNWUYNFAAR-QGZVFWFLSA-N -1 3 326.371 3.639 20 30 EHEDHM CCCOc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821127598 606303380 /nfs/dbraw/zinc/30/33/80/606303380.db2.gz KIZWESGCJCAHSM-FPLPWBNLSA-N -1 3 340.408 3.613 20 30 EHEDHM CCCOc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821127598 606303383 /nfs/dbraw/zinc/30/33/83/606303383.db2.gz KIZWESGCJCAHSM-FPLPWBNLSA-N -1 3 340.408 3.613 20 30 EHEDHM C[C@@H](SCc1cc(F)ccc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000820549954 607034375 /nfs/dbraw/zinc/03/43/75/607034375.db2.gz UBDNQOHNQUAYRX-LLVKDONJSA-N -1 3 339.399 3.872 20 30 EHEDHM C[C@@H](SCc1cc(F)ccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000820549954 607034377 /nfs/dbraw/zinc/03/43/77/607034377.db2.gz UBDNQOHNQUAYRX-LLVKDONJSA-N -1 3 339.399 3.872 20 30 EHEDHM O=C1c2cc(Cl)ccc2CCC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826475504 608048056 /nfs/dbraw/zinc/04/80/56/608048056.db2.gz IFJXYNIBVOCWRF-ZROIWOOFSA-N -1 3 336.782 3.733 20 30 EHEDHM O=C1c2cc(Cl)ccc2CCC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826475504 608048057 /nfs/dbraw/zinc/04/80/57/608048057.db2.gz IFJXYNIBVOCWRF-ZROIWOOFSA-N -1 3 336.782 3.733 20 30 EHEDHM O=C1c2cc(Cl)ccc2CCC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826475573 608048153 /nfs/dbraw/zinc/04/81/53/608048153.db2.gz KFUNYORMGCKSQF-LCYFTJDESA-N -1 3 336.782 3.733 20 30 EHEDHM O=C1c2cc(Cl)ccc2CCC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826475573 608048154 /nfs/dbraw/zinc/04/81/54/608048154.db2.gz KFUNYORMGCKSQF-LCYFTJDESA-N -1 3 336.782 3.733 20 30 EHEDHM COc1ccc2oc(C=CC(=O)c3cccc(-c4nnn[n-]4)c3)cc2c1 ZINC000826214016 608109679 /nfs/dbraw/zinc/10/96/79/608109679.db2.gz WUGYXBKKXNHFTB-FNORWQNLSA-N -1 3 346.346 3.518 20 30 EHEDHM COc1ccc2oc(C=CC(=O)c3cccc(-c4nn[n-]n4)c3)cc2c1 ZINC000826214016 608109680 /nfs/dbraw/zinc/10/96/80/608109680.db2.gz WUGYXBKKXNHFTB-FNORWQNLSA-N -1 3 346.346 3.518 20 30 EHEDHM COc1ccc(C=C2C(=O)c3cccc(C)c3[C@H]2C)cc1-c1nnn[n-]1 ZINC000826191198 608318022 /nfs/dbraw/zinc/31/80/22/608318022.db2.gz ZRTKTJOXFPESHB-ZENNRRHLSA-N -1 3 346.390 3.567 20 30 EHEDHM COc1ccc(C=C2C(=O)c3cccc(C)c3[C@H]2C)cc1-c1nn[n-]n1 ZINC000826191198 608318024 /nfs/dbraw/zinc/31/80/24/608318024.db2.gz ZRTKTJOXFPESHB-ZENNRRHLSA-N -1 3 346.390 3.567 20 30 EHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000826401290 608874921 /nfs/dbraw/zinc/87/49/21/608874921.db2.gz UVUKBTDNMAIQSP-SOFGYWHQSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC000826401290 608874922 /nfs/dbraw/zinc/87/49/22/608874922.db2.gz UVUKBTDNMAIQSP-SOFGYWHQSA-N -1 3 328.734 3.555 20 30 EHEDHM CC(=NNc1cccc2ccccc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000823963182 609275721 /nfs/dbraw/zinc/27/57/21/609275721.db2.gz XPFNJJOJVRWNKJ-UHFFFAOYSA-N -1 3 346.369 3.995 20 30 EHEDHM CC(=NNc1cccc2ccccc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000823963182 609275722 /nfs/dbraw/zinc/27/57/22/609275722.db2.gz XPFNJJOJVRWNKJ-UHFFFAOYSA-N -1 3 346.369 3.995 20 30 EHEDHM O=C1c2c3ccccc3[nH]c2CCC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826475427 609369459 /nfs/dbraw/zinc/36/94/59/609369459.db2.gz GBASMGPMKCKRJX-QBFSEMIESA-N -1 3 341.374 3.561 20 30 EHEDHM O=C1c2c3ccccc3[nH]c2CCC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826475427 609369461 /nfs/dbraw/zinc/36/94/61/609369461.db2.gz GBASMGPMKCKRJX-QBFSEMIESA-N -1 3 341.374 3.561 20 30 EHEDHM C=C(C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)C[C@H](C)C[C@H]2C ZINC001573294118 946976826 /nfs/dbraw/zinc/97/68/26/946976826.db2.gz UVFBYSOZAISNGZ-GHMZBOCLSA-N -1 3 345.472 3.909 20 30 EHEDHM C=C(C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)C[C@H](C)C[C@H]2C ZINC001573294118 946976829 /nfs/dbraw/zinc/97/68/29/946976829.db2.gz UVFBYSOZAISNGZ-GHMZBOCLSA-N -1 3 345.472 3.909 20 30 EHEDHM C=C(C)COc1cc(CNCc2ccc(C(=O)[O-])cc2)ccc1OC ZINC000277100503 962846725 /nfs/dbraw/zinc/84/67/25/962846725.db2.gz YYVSROFNMVZVEV-UHFFFAOYSA-N -1 3 341.407 3.638 20 30 EHEDHM O=C(COc1ccc(F)cc1Cl)Nc1n[n-]c(-c2ccco2)n1 ZINC000078868658 1014415518 /nfs/dbraw/zinc/41/55/18/1014415518.db2.gz IJFCRCZQGQNYGI-UHFFFAOYSA-N -1 3 336.710 3.524 20 30 EHEDHM C[C@H](C(=O)[O-])[C@@H](NCc1cc(Cl)cc(C#N)c1)c1ccccc1 ZINC001589469620 986945300 /nfs/dbraw/zinc/94/53/00/986945300.db2.gz WBTDNEDEDQGHMD-YVEFUNNKSA-N -1 3 328.799 3.763 20 30 EHEDHM COc1ccc(C#N)cc1CN[C@H](C(=O)[O-])c1cccc2ccccc21 ZINC001599476920 998548654 /nfs/dbraw/zinc/54/86/54/998548654.db2.gz PCDKTYMCCMDHAN-FQEVSTJZSA-N -1 3 346.386 3.636 20 30 EHEDHM COc1cc(/C=C\C(=O)c2cc(OC)c([O-])cc2OC)ccc1C ZINC000588599248 1032451041 /nfs/dbraw/zinc/45/10/41/1032451041.db2.gz UHZVZWIEBJLODF-FPLPWBNLSA-N -1 3 328.364 3.623 20 30 EHEDHM COc1cc(/C=C\C(=O)c2cccc(O)c2)cc(Br)c1[O-] ZINC000255067683 1017310191 /nfs/dbraw/zinc/31/01/91/1017310191.db2.gz RTKIABBIGOQKDM-WAYWQWQTSA-N -1 3 349.180 3.765 20 30 EHEDHM COc1ccc(C=NN[C@H](C)c2ccccc2)c(Br)c1[O-] ZINC000761014424 1032810314 /nfs/dbraw/zinc/81/03/14/1032810314.db2.gz YGYGZAMZEJCQRZ-LLVKDONJSA-N -1 3 349.228 3.848 20 30 EHEDHM C[C@@H](CC#N)Sc1ccccc1N=Cc1ccc(O)c([O-])c1O ZINC000255233645 1020170957 /nfs/dbraw/zinc/17/09/57/1020170957.db2.gz UBXYJAFQUBAHBC-NSHDSACASA-N -1 3 328.393 3.948 20 30 EHEDHM CCCCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c(C)c1 ZINC000516411833 1021408196 /nfs/dbraw/zinc/40/81/96/1021408196.db2.gz HJECIEIFHMKPOR-UHFFFAOYSA-N -1 3 344.436 3.846 20 30 EHEDHM CC(C)CC[C@@H]1CCCCN1C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000331188108 1022766072 /nfs/dbraw/zinc/76/60/72/1022766072.db2.gz VKDULZCJMUOWCS-NSHDSACASA-N -1 3 347.385 3.528 20 30 EHEDHM C=CCOc1ccc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)cc1Cl ZINC000426768477 1023032229 /nfs/dbraw/zinc/03/22/29/1023032229.db2.gz ZIQINCAQPHCEJH-QGZVFWFLSA-N -1 3 349.789 3.959 20 30 EHEDHM C=C(C)COc1cc(CN[C@@H](C(=O)[O-])c2ccsc2)ccc1OC ZINC000426832529 1023080558 /nfs/dbraw/zinc/08/05/58/1023080558.db2.gz JTLLUBRBYCKDHN-QGZVFWFLSA-N -1 3 347.436 3.627 20 30 EHEDHM Cc1nsc([N-]C(=O)c2csc(-c3ccc(F)cc3)n2)c1C#N ZINC000439299742 1024192762 /nfs/dbraw/zinc/19/27/62/1024192762.db2.gz DHIVMDIAZYYGQB-UHFFFAOYSA-N -1 3 344.396 3.838 20 30 EHEDHM Cc1cc(C(C#N)=C([O-])c2ccnc(Oc3ccccc3)c2)nc(C)n1 ZINC000523351484 1028195227 /nfs/dbraw/zinc/19/52/27/1028195227.db2.gz OFQNBCWANHVISD-KRWDZBQOSA-N -1 3 344.374 3.771 20 30 EHEDHM C=CCOc1ccc(/C=C/C(=O)c2ccc([O-])c(OC)c2)cc1OC ZINC000008322755 1029110391 /nfs/dbraw/zinc/11/03/91/1029110391.db2.gz SEXDSAZWNHBDGF-VMPITWQZSA-N -1 3 340.375 3.870 20 30 EHEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)N=c1cc2ccccn2[n-]1 ZINC000583196067 1029194041 /nfs/dbraw/zinc/19/40/41/1029194041.db2.gz RZDDTNUVNDCZKE-UHFFFAOYSA-N -1 3 346.843 3.691 20 30 EHEDHM CC(C)Oc1ccc(C([O-])=C(C#N)c2nccc3ccccc32)nc1 ZINC000447632566 1030371025 /nfs/dbraw/zinc/37/10/25/1030371025.db2.gz 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CC(C)(C)S(=O)(=O)Cc1cccc(/N=C/c2cccc([O-])c2O)c1 ZINC000264879247 1138665153 /nfs/dbraw/zinc/66/51/53/1138665153.db2.gz XPVQIWIGHZSFJL-YBFXNURJSA-N -1 3 347.436 3.562 20 30 EHEDHM N#Cc1c([N-]C(=O)c2ccc(Cl)nn2)sc2c1CCCCC2 ZINC000297792996 526534285 /nfs/dbraw/zinc/53/42/85/526534285.db2.gz ILSAONJDQPDUTN-UHFFFAOYSA-N -1 3 332.816 3.584 20 30 EHEDHM CSc1ccc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000737193650 599157526 /nfs/dbraw/zinc/15/75/26/599157526.db2.gz UWDFRQWHNAVLBL-ALCCZGGFSA-N -1 3 340.383 3.624 20 30 EHEDHM CSc1ccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000737193650 599157527 /nfs/dbraw/zinc/15/75/27/599157527.db2.gz UWDFRQWHNAVLBL-ALCCZGGFSA-N -1 3 340.383 3.624 20 30 EHEDHM C=CCN(Cc1ccc(Cl)s1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735418321 598376539 /nfs/dbraw/zinc/37/65/39/598376539.db2.gz AUETUEFYYKQUHK-UHFFFAOYSA-N -1 3 345.859 3.770 20 30 EHEDHM C=CCCCN(C)C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000735412830 599467882 /nfs/dbraw/zinc/46/78/82/599467882.db2.gz LKMZSJULLNAWCM-UHFFFAOYSA-N -1 3 347.422 3.572 20 30 EHEDHM C=CCCCN(C)C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000735412830 599467885 /nfs/dbraw/zinc/46/78/85/599467885.db2.gz LKMZSJULLNAWCM-UHFFFAOYSA-N -1 3 347.422 3.572 20 30 EHEDHM C=C(C)CCOC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000819722764 599626827 /nfs/dbraw/zinc/62/68/27/599626827.db2.gz QMCCFMHCCSJQTJ-UHFFFAOYSA-N -1 3 334.379 3.657 20 30 EHEDHM C=C(C)CCOC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000819722764 599626828 /nfs/dbraw/zinc/62/68/28/599626828.db2.gz QMCCFMHCCSJQTJ-UHFFFAOYSA-N -1 3 334.379 3.657 20 30 EHEDHM C[C@H](c1ccc(C#N)cc1)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC000736826920 600488813 /nfs/dbraw/zinc/48/88/13/600488813.db2.gz XHEWUTHGKKOROA-JKSUJKDBSA-N -1 3 349.434 3.528 20 30 EHEDHM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1cc(C#N)ccc1F ZINC000829027509 604650378 /nfs/dbraw/zinc/65/03/78/604650378.db2.gz ODMVHYAAFIBJNZ-GOSISDBHSA-N -1 3 326.371 3.735 20 30 EHEDHM CC(C)c1ccc([C@H](C)NN=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000820192339 606370133 /nfs/dbraw/zinc/37/01/33/606370133.db2.gz KJWHNWSJNVWEKD-LBPRGKRZSA-N -1 3 340.456 3.736 20 30 EHEDHM Cc1c2ccccc2oc1C(=O)C=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822014855 606389184 /nfs/dbraw/zinc/38/91/84/606389184.db2.gz ACLGKKFSKAFSOI-VURMDHGXSA-N -1 3 336.376 3.879 20 30 EHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000826402278 607884522 /nfs/dbraw/zinc/88/45/22/607884522.db2.gz QEYSFDLFMKXIAB-JXMROGBWSA-N -1 3 344.296 3.782 20 30 EHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(C(F)(F)F)cc1 ZINC000826402278 607884523 /nfs/dbraw/zinc/88/45/23/607884523.db2.gz QEYSFDLFMKXIAB-JXMROGBWSA-N -1 3 344.296 3.782 20 30 EHEDHM Fc1cccc(Cl)c1CCCN=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826377323 607886115 /nfs/dbraw/zinc/88/61/15/607886115.db2.gz MWXIBFNUFLIUOC-UHFFFAOYSA-N -1 3 344.781 3.690 20 30 EHEDHM Fc1cccc(Cl)c1CCCN=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826377323 607886116 /nfs/dbraw/zinc/88/61/16/607886116.db2.gz MWXIBFNUFLIUOC-UHFFFAOYSA-N -1 3 344.781 3.690 20 30 EHEDHM C=C[C@H](CC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823883197 607992534 /nfs/dbraw/zinc/99/25/34/607992534.db2.gz KONVBFCPGPNVPS-LSDHHAIUSA-N -1 3 348.406 3.831 20 30 EHEDHM C=C[C@H](CC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823883197 607992535 /nfs/dbraw/zinc/99/25/35/607992535.db2.gz KONVBFCPGPNVPS-LSDHHAIUSA-N -1 3 348.406 3.831 20 30 EHEDHM C=C[C@H](CC(=O)OCc1ccc(-c2nnn[n-]2)cc1C)c1ccccc1 ZINC000823883491 607993241 /nfs/dbraw/zinc/99/32/41/607993241.db2.gz REDPLQJFJAZXBT-OAHLLOKOSA-N -1 3 348.406 3.578 20 30 EHEDHM C=C[C@H](CC(=O)OCc1ccc(-c2nn[n-]n2)cc1C)c1ccccc1 ZINC000823883491 607993242 /nfs/dbraw/zinc/99/32/42/607993242.db2.gz REDPLQJFJAZXBT-OAHLLOKOSA-N -1 3 348.406 3.578 20 30 EHEDHM O=C1c2cccc3c2[C@H](CCC3)C1=Cc1ccccc1-c1nnn[n-]1 ZINC000826475660 608109731 /nfs/dbraw/zinc/10/97/31/608109731.db2.gz MOAMNESXCRNXAY-QJISPJEISA-N -1 3 328.375 3.567 20 30 EHEDHM O=C1c2cccc3c2[C@H](CCC3)C1=Cc1ccccc1-c1nn[n-]n1 ZINC000826475660 608109732 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ZINC000826382819 609488225 /nfs/dbraw/zinc/48/82/25/609488225.db2.gz WJWPVFWOOFAJJO-UHFFFAOYSA-N -1 3 339.399 3.505 20 30 EHEDHM C=C(C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)[C@@H](C)[C@@H](C)CC2 ZINC001573293924 946971702 /nfs/dbraw/zinc/97/17/02/946971702.db2.gz OHAAVSSEMNAQFH-QWRGUYRKSA-N -1 3 345.472 3.909 20 30 EHEDHM C=C(C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)[C@@H](C)[C@@H](C)CC2 ZINC001573293924 946971708 /nfs/dbraw/zinc/97/17/08/946971708.db2.gz OHAAVSSEMNAQFH-QWRGUYRKSA-N -1 3 345.472 3.909 20 30 EHEDHM CC(C)(C#N)c1ccccc1CN[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001602831051 971656498 /nfs/dbraw/zinc/65/64/98/971656498.db2.gz KZTOBXFSTYKEBQ-QGZVFWFLSA-N -1 3 326.371 3.542 20 30 EHEDHM N#CC(=C([O-])C=Cc1ccccc1OC(F)(F)F)c1ccccn1 ZINC000049457683 1014171756 /nfs/dbraw/zinc/17/17/56/1014171756.db2.gz DOXYYHFAGJCZFG-LJTDUEICSA-N -1 3 332.281 3.870 20 30 EHEDHM O=C(Cc1ccc(Br)cc1)Nc1n[n-]c(-c2ccco2)n1 ZINC000078868644 1014416169 /nfs/dbraw/zinc/41/61/69/1014416169.db2.gz YSMWBIZWJWDCHR-UHFFFAOYSA-N -1 3 347.172 3.658 20 30 EHEDHM C[C@@H](CC(C)(C)C#N)N[C@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC001592440502 978097573 /nfs/dbraw/zinc/09/75/73/978097573.db2.gz ZYPYTKHUGLXMNN-GWCFXTLKSA-N -1 3 344.333 3.629 20 30 EHEDHM C[C@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1cccc(OC(F)F)c1 ZINC001593189274 994111220 /nfs/dbraw/zinc/11/12/20/994111220.db2.gz GNRJGSMZWDQWJB-ZBEGNZNMSA-N -1 3 346.333 3.636 20 30 EHEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCCC[C@@H]2Cc2ccccc2)c1[O-] ZINC000728231167 1016289273 /nfs/dbraw/zinc/28/92/73/1016289273.db2.gz JECUFHLZIPZDDQ-JJIQQZTFSA-N -1 3 338.451 3.808 20 30 EHEDHM C=C1C[C@H]2CC[C@@H](C1)N2Cc1c(Br)cccc1C(=O)[O-] ZINC000659801915 1017046773 /nfs/dbraw/zinc/04/67/73/1017046773.db2.gz MNBZAGZEGXVJST-TXEJJXNPSA-N -1 3 336.229 3.830 20 30 EHEDHM N#CC(=C([O-])c1c[nH]nc1-c1ccoc1)c1ccc2ccccc2n1 ZINC000684009208 1019799785 /nfs/dbraw/zinc/79/97/85/1019799785.db2.gz APJFRIXWWULYGV-AWEZNQCLSA-N -1 3 328.331 3.708 20 30 EHEDHM Cc1nsc([N-]C(=O)c2csc(-c3cccs3)n2)c1C#N ZINC000439283507 1021319346 /nfs/dbraw/zinc/31/93/46/1021319346.db2.gz KLCKAPXHPZSLFK-UHFFFAOYSA-N -1 3 332.435 3.761 20 30 EHEDHM N#Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c(F)c1 ZINC000165825221 1022070216 /nfs/dbraw/zinc/07/02/16/1022070216.db2.gz UVMYDDIPWLXMEL-UHFFFAOYSA-N -1 3 345.182 3.805 20 30 EHEDHM CC(C)(C#N)c1ccc(CNCc2cc(F)c(C(=O)[O-])c(F)c2)cc1 ZINC000593948005 1033122168 /nfs/dbraw/zinc/12/21/68/1033122168.db2.gz QYKXTNNSBPTCSI-UHFFFAOYSA-N -1 3 344.361 3.754 20 30 EHEDHM COCc1nc(C([O-])=C(C#N)c2ccccn2)c(-c2ccccc2)s1 ZINC000442088103 1025170019 /nfs/dbraw/zinc/17/00/19/1025170019.db2.gz KUQRCXBPRMDRPK-AWEZNQCLSA-N -1 3 349.415 3.842 20 30 EHEDHM N#Cc1ccccc1O[C@@H]1CCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142527112 1033271980 /nfs/dbraw/zinc/27/19/80/1033271980.db2.gz KXPJJXSJZPPWSE-OAHLLOKOSA-N -1 3 344.361 3.585 20 30 EHEDHM O=C(N[C@@H]1CCOC2(CCOCC2)C1)c1cc([O-])c2ccccc2c1 ZINC000329606357 1026065551 /nfs/dbraw/zinc/06/55/51/1026065551.db2.gz ZTSFPTPSJZXEBY-MRXNPFEDSA-N -1 3 341.407 3.578 20 30 EHEDHM O=C(N[C@H]1CCOC2(CCOCC2)C1)c1cc([O-])c2ccccc2c1 ZINC000329606352 1026065787 /nfs/dbraw/zinc/06/57/87/1026065787.db2.gz ZTSFPTPSJZXEBY-INIZCTEOSA-N -1 3 341.407 3.578 20 30 EHEDHM N#Cc1ccc(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)cc1[O-] ZINC000187791612 1027086596 /nfs/dbraw/zinc/08/65/96/1027086596.db2.gz KJPSDLMUCLYCKC-UHFFFAOYSA-N -1 3 332.363 3.660 20 30 EHEDHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000533619067 1028163860 /nfs/dbraw/zinc/16/38/60/1028163860.db2.gz YUJNAHGQUQRHMW-QGZVFWFLSA-N -1 3 344.798 3.959 20 30 EHEDHM CC(=O)Nc1ccc(C([O-])=C(C#N)c2nccc3ccccc32)cc1F ZINC000447626490 1030387980 /nfs/dbraw/zinc/38/79/80/1030387980.db2.gz LKIFMOHSHSRQHY-INIZCTEOSA-N -1 3 347.349 3.822 20 30 EHEDHM CC(C)(C)OCc1cc(C(=O)N([O-])Cc2ccccc2Cl)no1 ZINC000904191106 1031836819 /nfs/dbraw/zinc/83/68/19/1031836819.db2.gz TYZVYZWYLRHUEE-UHFFFAOYSA-N -1 3 338.791 3.675 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccc(C(C)C)cc1 ZINC000060953824 1033298153 /nfs/dbraw/zinc/29/81/53/1033298153.db2.gz ZBBDVKALKKQLNI-UHFFFAOYSA-N -1 3 338.407 3.525 20 30 EHEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2scnc2C)cc1 ZINC000173985068 1033664157 /nfs/dbraw/zinc/66/41/57/1033664157.db2.gz LTQRVJGLBFJLGY-XHDPSFHLSA-N -1 3 341.436 3.926 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(C2C(C)(C)C2(C)C)no1 ZINC000599195506 1033799960 /nfs/dbraw/zinc/79/99/60/1033799960.db2.gz JBJNDGMANAYVSF-UHFFFAOYSA-N -1 3 340.427 3.594 20 30 EHEDHM CCCCCc1nnc([N-]C(=O)c2cc(F)c(C#N)c(F)c2)s1 ZINC000596886593 1034428685 /nfs/dbraw/zinc/42/86/85/1034428685.db2.gz KJYSJCVLVNRHIQ-UHFFFAOYSA-N -1 3 336.367 3.673 20 30 EHEDHM CC(=O)c1cc(Cl)cc(CN(C)Cc2ccc(C#N)cc2)c1[O-] ZINC000177251596 1034890538 /nfs/dbraw/zinc/89/05/38/1034890538.db2.gz CRJNTMMPKUHEAR-UHFFFAOYSA-N -1 3 328.799 3.752 20 30 EHEDHM N#CC(=C([O-])c1ccc(C2(C#N)CC2)cc1)c1cnc2ccccc2n1 ZINC000190944937 1036305838 /nfs/dbraw/zinc/30/58/38/1036305838.db2.gz XBDFHLKOOMSMSR-INIZCTEOSA-N -1 3 338.370 3.675 20 30 EHEDHM C=C(C)C[C@@H](C)C(=O)Nc1cc(I)ccc1[O-] ZINC000613517846 1036442990 /nfs/dbraw/zinc/44/29/90/1036442990.db2.gz PGOSHODIMOHCCR-SECBINFHSA-N -1 3 345.180 3.538 20 30 EHEDHM CN(Cc1ccc(C#N)cc1)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000590419537 1036869419 /nfs/dbraw/zinc/86/94/19/1036869419.db2.gz DMSVEVSNSDDOKV-UHFFFAOYSA-N -1 3 334.297 3.555 20 30 EHEDHM C=CCCC1(C(=O)N=c2cc(-c3cc(Cl)ccc3OC)[n-][nH]2)CC1 ZINC000479939389 1038914744 /nfs/dbraw/zinc/91/47/44/1038914744.db2.gz JLNYVEWNIZTPTR-UHFFFAOYSA-N -1 3 345.830 3.846 20 30 EHEDHM CCc1ccc([C@H](C#N)NC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000489945474 1040270763 /nfs/dbraw/zinc/27/07/63/1040270763.db2.gz AROYRHPVWGUVOI-SFHVURJKSA-N -1 3 340.398 3.797 20 30 EHEDHM O=C(/C=C\c1cccc([O-])c1Br)c1cnn(C2CCC2)c1 ZINC000899400787 1040448906 /nfs/dbraw/zinc/44/89/06/1040448906.db2.gz OCXJFUOOESWULZ-FPLPWBNLSA-N -1 3 347.212 3.972 20 30 EHEDHM N#CC(=C([O-])c1ccc2cncn2c1)c1nc2cc(F)ccc2s1 ZINC000671278887 1126828867 /nfs/dbraw/zinc/82/88/67/1126828867.db2.gz IIWFHLOSVQRHOX-ZDUSSCGKSA-N -1 3 336.351 3.573 20 30 EHEDHM N#Cc1cccc(OCCCOC(=O)c2cc(Cl)c(Cl)[n-]2)c1 ZINC000763907061 1126932250 /nfs/dbraw/zinc/93/22/50/1126932250.db2.gz AJHXTIOMWXNURG-UHFFFAOYSA-N -1 3 339.178 3.819 20 30 EHEDHM N#Cc1cccc(C#N)c1NCc1ccc([O-])c(Br)c1 ZINC000302873329 1128652767 /nfs/dbraw/zinc/65/27/67/1128652767.db2.gz CYPSSOVORDOMFR-UHFFFAOYSA-N -1 3 328.169 3.510 20 30 EHEDHM COCc1ccccc1C/N=C/c1cc(Br)ccc1[O-] ZINC000914557775 1120896066 /nfs/dbraw/zinc/89/60/66/1120896066.db2.gz KHQPKFREDZHCJO-VCHYOVAHSA-N -1 3 334.213 3.920 20 30 EHEDHM CNC(=O)c1cccc(N=Cc2cc(Br)ccc2[O-])c1C ZINC000915114733 1121201030 /nfs/dbraw/zinc/20/10/30/1121201030.db2.gz QMUDSGBVUOZSBF-UHFFFAOYSA-N -1 3 347.212 3.573 20 30 EHEDHM CC(=NNC(=S)Nc1ccc(F)cc1)c1cc(Cl)ccc1[O-] ZINC000915924309 1121985753 /nfs/dbraw/zinc/98/57/53/1121985753.db2.gz AFZBIOZLYAJHIS-UHFFFAOYSA-N -1 3 337.807 3.895 20 30 EHEDHM CCc1c2cc(C)ccc2oc1C(C)=N[N-]c1[nH+]cnc2[n-]cnc21 ZINC000917556180 1122635992 /nfs/dbraw/zinc/63/59/92/1122635992.db2.gz VJUCMTCYNCNVCC-UHFFFAOYSA-N -1 3 334.383 3.806 20 30 EHEDHM N#Cc1cc(NCc2cc(Cl)c3cccnc3c2[O-])cnc1F ZINC001168523637 1122788067 /nfs/dbraw/zinc/78/80/67/1122788067.db2.gz QLCZLDXGNWNEIW-UHFFFAOYSA-N -1 3 328.734 3.612 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)c1ccc(F)cc1 ZINC000921240867 1123496599 /nfs/dbraw/zinc/49/65/99/1123496599.db2.gz CJWLEQKLXZMGCB-ZDUSSCGKSA-N -1 3 342.370 3.652 20 30 EHEDHM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1 ZINC000610123721 1123737685 /nfs/dbraw/zinc/73/76/85/1123737685.db2.gz PJLFEIDBIBPGNF-CQSZACIVSA-N -1 3 344.436 3.845 20 30 EHEDHM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)cc1Cl ZINC000021511241 1129722501 /nfs/dbraw/zinc/72/25/01/1129722501.db2.gz CWODJFIRKIXCRT-UHFFFAOYSA-N -1 3 327.192 3.666 20 30 EHEDHM Cc1nc(-c2ccc(N=Cc3c([O-])c(C)ncc3CO)cc2)cs1 ZINC000730547682 1130718733 /nfs/dbraw/zinc/71/87/33/1130718733.db2.gz ZHIIGKLCSQBFKV-UHFFFAOYSA-N -1 3 339.420 3.770 20 30 EHEDHM Cc1ncc(CO)c(/C=N/Cc2ccccc2Oc2ccccc2)c1[O-] ZINC000745011920 1132176972 /nfs/dbraw/zinc/17/69/72/1132176972.db2.gz CBBJXFOHMNRBRY-LPYMAVHISA-N -1 3 348.402 3.999 20 30 EHEDHM COc1cc(CN=Nc2oc(CC(C)C)nc2C#N)cc(Cl)c1[O-] ZINC000745613908 1132285863 /nfs/dbraw/zinc/28/58/63/1132285863.db2.gz QQGNZEIPXNCWDZ-UHFFFAOYSA-N -1 3 348.790 3.558 20 30 EHEDHM CCN(CC)C(=O)c1ccc(F)c(Nc2ccc([O-])c(C#N)c2)c1 ZINC001176067720 1132840957 /nfs/dbraw/zinc/84/09/57/1132840957.db2.gz AWJKCDJRHRTCCB-UHFFFAOYSA-N -1 3 327.359 3.629 20 30 EHEDHM COc1cc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)ccc1[N+](=O)[O-] ZINC000770570363 1133445548 /nfs/dbraw/zinc/44/55/48/1133445548.db2.gz ADPQLRPAGJZRFG-MDXIRLPMSA-N -1 3 343.310 3.832 20 30 EHEDHM O=C([C@@H]1CCOC2(CCCC2)C1)N([O-])CCCCc1ccccc1 ZINC001184305850 1133919653 /nfs/dbraw/zinc/91/96/53/1133919653.db2.gz UFGPNNCHHOFILY-GOSISDBHSA-N -1 3 331.456 3.967 20 30 EHEDHM CC(=O)c1cc(C(=O)N([O-])Cc2ccccc2Cl)c(C)nc1C ZINC001184283663 1133923062 /nfs/dbraw/zinc/92/30/62/1133923062.db2.gz NRHZMJRHOBPOFJ-UHFFFAOYSA-N -1 3 332.787 3.586 20 30 EHEDHM CCn1cc(Cl)c(C(=O)N([O-])Cc2cccc3ccccc32)n1 ZINC001184347783 1133930590 /nfs/dbraw/zinc/93/05/90/1133930590.db2.gz DGEYZJLICBCDPP-UHFFFAOYSA-N -1 3 329.787 3.741 20 30 EHEDHM C=CCn1c(=O)[n-]nc1SCSCc1ccc(Cl)cc1 ZINC000787491662 1134009719 /nfs/dbraw/zinc/00/97/19/1134009719.db2.gz NRKMUWXMWBYEJP-UHFFFAOYSA-N -1 3 327.862 3.806 20 30 EHEDHM C#Cc1ccc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])cc1 ZINC001188739225 1134503253 /nfs/dbraw/zinc/50/32/53/1134503253.db2.gz FOQWEVMXYJRMEV-UHFFFAOYSA-N -1 3 336.778 3.505 20 30 EHEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cccc(-c2ccsc2)c1 ZINC001189378588 1134577135 /nfs/dbraw/zinc/57/71/35/1134577135.db2.gz CSRBABKNDLHFLH-UHFFFAOYSA-N -1 3 337.404 3.854 20 30 EHEDHM N#Cc1oc2ccccc2c1[N-]C(=O)c1cnccc1Br ZINC001189573866 1134602626 /nfs/dbraw/zinc/60/26/26/1134602626.db2.gz VXEOEKGDSXMEKB-UHFFFAOYSA-N -1 3 342.152 3.714 20 30 EHEDHM C=CCC1(S(=O)(=O)[N-]c2c(F)cccc2OC2CCCC2)CC1 ZINC001190815565 1134753702 /nfs/dbraw/zinc/75/37/02/1134753702.db2.gz PWHDYPXTUUMBIK-UHFFFAOYSA-N -1 3 339.432 3.998 20 30 EHEDHM COc1ccc(C=NN[C@H](C)C(C)(C)C)c(Br)c1[O-] ZINC000793116330 1134856506 /nfs/dbraw/zinc/85/65/06/1134856506.db2.gz XCIGYDUKVBXMEQ-SECBINFHSA-N -1 3 329.238 3.521 20 30 EHEDHM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)C(C)(C)c1ccccc1-2 ZINC001193150830 1135109456 /nfs/dbraw/zinc/10/94/56/1135109456.db2.gz JUKQCEGCMYWQNU-LBPRGKRZSA-N -1 3 326.421 3.647 20 30 EHEDHM C[C@H](C#N)S(=O)(=O)[N-]c1c(Cl)c(Cl)cc(Cl)c1Cl ZINC001193148871 1135109560 /nfs/dbraw/zinc/10/95/60/1135109560.db2.gz GDEVMNXHFJPNCL-SCSAIBSYSA-N -1 3 348.038 3.954 20 30 EHEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000775742037 1135604207 /nfs/dbraw/zinc/60/42/07/1135604207.db2.gz VCDZFBWMHOJTEQ-MGPPHUSPSA-N -1 3 328.170 3.991 20 30 EHEDHM CC(C)c1ccc(C(=O)[C@H](C)OC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000811186907 1136056263 /nfs/dbraw/zinc/05/62/63/1136056263.db2.gz CVRHVPGDUZKLJQ-ZDUSSCGKSA-N -1 3 337.375 3.815 20 30 EHEDHM Cc1ccc(-c2nc(COC(=O)c3cc([O-])cc(C#N)c3)co2)cc1 ZINC000811188266 1136057023 /nfs/dbraw/zinc/05/70/23/1136057023.db2.gz YCYVUPMWDIGOGW-UHFFFAOYSA-N -1 3 334.331 3.584 20 30 EHEDHM COc1cc(C(=O)/C=C/c2nc3c(s2)CCCC3)c(OC)cc1[O-] ZINC000776266699 1136121096 /nfs/dbraw/zinc/12/10/96/1136121096.db2.gz SPGVDZJVAMYWTJ-BQYQJAHWSA-N -1 3 345.420 3.641 20 30 EHEDHM N#CC(=C([O-])c1ccnc(Cl)c1)c1cc(C(F)(F)F)ccn1 ZINC000813214262 1136303702 /nfs/dbraw/zinc/30/37/02/1136303702.db2.gz QDQHWEYVHWKQNM-SNVBAGLBSA-N -1 3 325.677 3.639 20 30 EHEDHM N#Cc1sc([N-]C(=O)c2cc(-c3ccccc3)no2)nc1Cl ZINC000813368830 1136324115 /nfs/dbraw/zinc/32/41/15/1136324115.db2.gz AWFBYACRKONSGM-UHFFFAOYSA-N -1 3 330.756 3.575 20 30 EHEDHM C[C@H](/N=C/c1cc(Cl)ccc1[O-])c1ncc(Br)cn1 ZINC000814183072 1136418014 /nfs/dbraw/zinc/41/80/14/1136418014.db2.gz CTBCOTFWCANKSB-RQKSUGJFSA-N -1 3 340.608 3.778 20 30 EHEDHM COC[C@@H](C)Oc1ccc(/C=C\C(=O)c2ccc([O-])c(OC)c2)cc1 ZINC000853001945 1136496552 /nfs/dbraw/zinc/49/65/52/1136496552.db2.gz CYNJAQMXDPIXGC-LBIZBFCRSA-N -1 3 342.391 3.711 20 30 EHEDHM N#CCCOCCOC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000815214008 1136571574 /nfs/dbraw/zinc/57/15/74/1136571574.db2.gz HGIFEUGVEZERDV-UHFFFAOYSA-N -1 3 345.782 3.800 20 30 EHEDHM CCO[C@@H]1CC(N=Nc2nc3ccccc3[n-]c2=S)[C@H]1SC ZINC000863125329 1137170918 /nfs/dbraw/zinc/17/09/18/1137170918.db2.gz SZZZPRPUJIFGHL-CHWSQXEVSA-N -1 3 334.470 3.601 20 30 EHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000845845894 1137314765 /nfs/dbraw/zinc/31/47/65/1137314765.db2.gz PZGKSWQUKVENFR-OTWHNJEPSA-N -1 3 347.389 3.939 20 30 EHEDHM N#CC(C(=O)Cc1cccc(F)c1F)=C([O-])C1(c2ccccc2)CC1 ZINC000845840572 1137315114 /nfs/dbraw/zinc/31/51/14/1137315114.db2.gz FEMVEZNOXOKAJN-HNNXBMFYSA-N -1 3 339.341 3.517 20 30 EHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])Cc1cccc(F)c1F ZINC000845840572 1137315116 /nfs/dbraw/zinc/31/51/16/1137315116.db2.gz FEMVEZNOXOKAJN-HNNXBMFYSA-N -1 3 339.341 3.517 20 30 EHEDHM C[C@H](NCc1cccc(OC(C)(C)C)n1)c1cccc(C#N)c1[O-] ZINC000866312829 1137344915 /nfs/dbraw/zinc/34/49/15/1137344915.db2.gz QUAOHIBEANGCHN-ZDUSSCGKSA-N -1 3 325.412 3.687 20 30 EHEDHM Cc1cc(C(=O)/C=C\c2ccc(Cl)cc2-n2cncn2)ccc1[O-] ZINC000794934414 1137366813 /nfs/dbraw/zinc/36/68/13/1137366813.db2.gz KJFFDIYZVGZVHQ-CLTKARDFSA-N -1 3 339.782 3.831 20 30 EHEDHM COCCOc1ccc(C(=O)/C=C\c2c(F)ccc([O-])c2F)cc1 ZINC000794939732 1137373161 /nfs/dbraw/zinc/37/31/61/1137373161.db2.gz XMFRGABIJFIQIH-VURMDHGXSA-N -1 3 334.318 3.592 20 30 EHEDHM COc1cc2c(cc1OC)C(=O)/C(=C\c1c(F)ccc([O-])c1F)C2 ZINC000794958976 1137379812 /nfs/dbraw/zinc/37/98/12/1137379812.db2.gz QEKIWGLXLUWJPN-POHAHGRESA-N -1 3 332.302 3.510 20 30 EHEDHM N#Cc1ccc(OC2CCN(Cc3ccc(F)c(F)c3[O-])CC2)cc1 ZINC000876692001 1137659216 /nfs/dbraw/zinc/65/92/16/1137659216.db2.gz KVSLQDZTLDWTML-UHFFFAOYSA-N -1 3 344.361 3.585 20 30 EHEDHM C=CCCC[C@H](NC(=O)Cc1c(C)nc(C)[n-]c1=O)c1ccccc1 ZINC000882234632 1137824114 /nfs/dbraw/zinc/82/41/14/1137824114.db2.gz SLYGQLJWTDOHRE-SFHVURJKSA-N -1 3 339.439 3.555 20 30 EHEDHM N#Cc1ccc([N-]S(=O)(=O)c2cnc3ccccc3c2)c(Cl)c1 ZINC000337768230 1138663570 /nfs/dbraw/zinc/66/35/70/1138663570.db2.gz NMBAGAKFJOGEDM-UHFFFAOYSA-N -1 3 343.795 3.561 20 30 EHEDHM Cc1cc2c(cc1C)C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1)CCO2 ZINC000737285747 598861686 /nfs/dbraw/zinc/86/16/86/598861686.db2.gz ULOCDIZYVQPEQF-WJDWOHSUSA-N -1 3 346.390 3.532 20 30 EHEDHM Cc1cc2c(cc1C)C(=O)C(=Cc1ccc(-c3nn[n-]n3)cc1)CCO2 ZINC000737285747 598861687 /nfs/dbraw/zinc/86/16/87/598861687.db2.gz ULOCDIZYVQPEQF-WJDWOHSUSA-N -1 3 346.390 3.532 20 30 EHEDHM Cc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1F ZINC000822233010 599116637 /nfs/dbraw/zinc/11/66/37/599116637.db2.gz GFBFVMXVWUYVOU-ZSOIEALJSA-N -1 3 334.354 3.527 20 30 EHEDHM Cc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1F ZINC000822233010 599116638 /nfs/dbraw/zinc/11/66/38/599116638.db2.gz GFBFVMXVWUYVOU-ZSOIEALJSA-N -1 3 334.354 3.527 20 30 EHEDHM CCCCCCCCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000736446492 598281484 /nfs/dbraw/zinc/28/14/84/598281484.db2.gz CGYIJABXERKFFP-UHFFFAOYSA-N -1 3 333.411 3.719 20 30 EHEDHM CCCCCCCCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000736446492 598281486 /nfs/dbraw/zinc/28/14/86/598281486.db2.gz CGYIJABXERKFFP-UHFFFAOYSA-N -1 3 333.411 3.719 20 30 EHEDHM CC(C)COc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735837119 598391905 /nfs/dbraw/zinc/39/19/05/598391905.db2.gz GGNABXFHVBNEJF-FLIBITNWSA-N -1 3 348.406 3.798 20 30 EHEDHM CC(C)COc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735837119 598391907 /nfs/dbraw/zinc/39/19/07/598391907.db2.gz GGNABXFHVBNEJF-FLIBITNWSA-N -1 3 348.406 3.798 20 30 EHEDHM CCN(Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C[C@H](C)C#N ZINC000736554711 598760971 /nfs/dbraw/zinc/76/09/71/598760971.db2.gz BGPGDOJCDTYABQ-OAHLLOKOSA-N -1 3 346.438 3.515 20 30 EHEDHM CCN(Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C[C@H](C)C#N ZINC000736554711 598760972 /nfs/dbraw/zinc/76/09/72/598760972.db2.gz BGPGDOJCDTYABQ-OAHLLOKOSA-N -1 3 346.438 3.515 20 30 EHEDHM CC(C)COc1cccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000736448676 600595832 /nfs/dbraw/zinc/59/58/32/600595832.db2.gz NKVGPFWTMMYEEQ-LJQANCHMSA-N -1 3 338.407 3.509 20 30 EHEDHM CSc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821978313 607458184 /nfs/dbraw/zinc/45/81/84/607458184.db2.gz LOZFVWUTFRGAGE-RMKNXTFCSA-N -1 3 340.383 3.624 20 30 EHEDHM CSc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821978313 607458186 /nfs/dbraw/zinc/45/81/86/607458186.db2.gz LOZFVWUTFRGAGE-RMKNXTFCSA-N -1 3 340.383 3.624 20 30 EHEDHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1cccc(C(=O)[O-])c1C#N ZINC000833597005 604609280 /nfs/dbraw/zinc/60/92/80/604609280.db2.gz HZWFPFIHDKSQFK-CZUORRHYSA-N -1 3 338.382 3.774 20 30 EHEDHM CCCOc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821127596 606303286 /nfs/dbraw/zinc/30/32/86/606303286.db2.gz KIZWESGCJCAHSM-BQYQJAHWSA-N -1 3 340.408 3.613 20 30 EHEDHM CCCOc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821127596 606303287 /nfs/dbraw/zinc/30/32/87/606303287.db2.gz KIZWESGCJCAHSM-BQYQJAHWSA-N -1 3 340.408 3.613 20 30 EHEDHM Clc1ccc(Cl)c(NN=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000822574443 606415565 /nfs/dbraw/zinc/41/55/65/606415565.db2.gz UVRORLXPMXQOBH-UHFFFAOYSA-N -1 3 339.211 3.681 20 30 EHEDHM Clc1cc(C=NNc2ccc(-c3nn[n-]n3)cc2)c2ncccc2c1 ZINC000822568039 606836212 /nfs/dbraw/zinc/83/62/12/606836212.db2.gz KRVQGEWGPDRNND-UHFFFAOYSA-N -1 3 349.785 3.514 20 30 EHEDHM O=C1c2cccc3c2[C@H](CCC3)C1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000826475905 608109781 /nfs/dbraw/zinc/10/97/81/608109781.db2.gz VQJPCFSDSSIOCG-QJISPJEISA-N -1 3 328.375 3.567 20 30 EHEDHM O=C1c2cccc3c2[C@H](CCC3)C1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000826475905 608109782 /nfs/dbraw/zinc/10/97/82/608109782.db2.gz VQJPCFSDSSIOCG-QJISPJEISA-N -1 3 328.375 3.567 20 30 EHEDHM N#Cc1c(Cl)cccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000826383400 608206410 /nfs/dbraw/zinc/20/64/10/608206410.db2.gz YXUSTKGGGCUBHS-UHFFFAOYSA-N -1 3 327.800 3.684 20 30 EHEDHM N#Cc1c(Cl)cccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000826383400 608206411 /nfs/dbraw/zinc/20/64/11/608206411.db2.gz YXUSTKGGGCUBHS-UHFFFAOYSA-N -1 3 327.800 3.684 20 30 EHEDHM C#CC[C@@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1ccccc1 ZINC000823837870 608234013 /nfs/dbraw/zinc/23/40/13/608234013.db2.gz IADQJHBTNNXNTH-QGZVFWFLSA-N -1 3 340.390 3.591 20 30 EHEDHM C#CC[C@@H](Nc1ccc2cc(-c3nn[n-]n3)ccc2n1)c1ccccc1 ZINC000823837870 608234014 /nfs/dbraw/zinc/23/40/14/608234014.db2.gz IADQJHBTNNXNTH-QGZVFWFLSA-N -1 3 340.390 3.591 20 30 EHEDHM O=C(C=Cc1ccc(F)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826401265 609271016 /nfs/dbraw/zinc/27/10/16/609271016.db2.gz UFUTVXHLZUFMET-QHHAFSJGSA-N -1 3 346.724 3.694 20 30 EHEDHM O=C(C=Cc1ccc(F)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826401265 609271018 /nfs/dbraw/zinc/27/10/18/609271018.db2.gz UFUTVXHLZUFMET-QHHAFSJGSA-N -1 3 346.724 3.694 20 30 EHEDHM Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1Cl ZINC000826266451 609272331 /nfs/dbraw/zinc/27/23/31/609272331.db2.gz PELYLJRZKFWYOW-CLTKARDFSA-N -1 3 342.761 3.864 20 30 EHEDHM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1Cl ZINC000826266451 609272332 /nfs/dbraw/zinc/27/23/32/609272332.db2.gz PELYLJRZKFWYOW-CLTKARDFSA-N -1 3 342.761 3.864 20 30 EHEDHM Clc1cscc1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826354367 609472399 /nfs/dbraw/zinc/47/23/99/609472399.db2.gz ZVTLAPYAEDTQIS-UHFFFAOYSA-N -1 3 339.211 3.681 20 30 EHEDHM Clc1cscc1C=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826354367 609472396 /nfs/dbraw/zinc/47/23/96/609472396.db2.gz ZVTLAPYAEDTQIS-UHFFFAOYSA-N -1 3 339.211 3.681 20 30 EHEDHM N#Cc1ccc(CNCc2ccc(C(=O)[O-])cc2)c(C(F)(F)F)c1 ZINC001601101878 970933353 /nfs/dbraw/zinc/93/33/53/970933353.db2.gz OFQMRAYRVVVINI-UHFFFAOYSA-N -1 3 334.297 3.565 20 30 EHEDHM C=CCCC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823888324 946501986 /nfs/dbraw/zinc/50/19/86/946501986.db2.gz IWWQSSDKSIMJPS-AWEZNQCLSA-N -1 3 347.422 3.677 20 30 EHEDHM C=CCCC(=O)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823888324 946501994 /nfs/dbraw/zinc/50/19/94/946501994.db2.gz IWWQSSDKSIMJPS-AWEZNQCLSA-N -1 3 347.422 3.677 20 30 EHEDHM C=CC1(CC(=O)Nc2cc(-c3nnn[n-]3)c(F)cc2C)CCCCC1 ZINC001573314768 947237190 /nfs/dbraw/zinc/23/71/90/947237190.db2.gz GSENCYNNAPULBP-UHFFFAOYSA-N -1 3 343.406 3.779 20 30 EHEDHM C=CC1(CC(=O)Nc2cc(-c3nn[n-]n3)c(F)cc2C)CCCCC1 ZINC001573314768 947237202 /nfs/dbraw/zinc/23/72/02/947237202.db2.gz GSENCYNNAPULBP-UHFFFAOYSA-N -1 3 343.406 3.779 20 30 EHEDHM CSc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000826230064 947674806 /nfs/dbraw/zinc/67/48/06/947674806.db2.gz CAKCHXRYWQUUGP-RUDMXATFSA-N -1 3 340.383 3.624 20 30 EHEDHM CSc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000826230064 947674814 /nfs/dbraw/zinc/67/48/14/947674814.db2.gz CAKCHXRYWQUUGP-RUDMXATFSA-N -1 3 340.383 3.624 20 30 EHEDHM O=C(C=Cc1cc(Cl)ccc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400107 948216126 /nfs/dbraw/zinc/21/61/26/948216126.db2.gz PHCZMPZXVUHZFO-QHHAFSJGSA-N -1 3 346.724 3.694 20 30 EHEDHM O=C(C=Cc1cc(Cl)ccc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400107 948216137 /nfs/dbraw/zinc/21/61/37/948216137.db2.gz PHCZMPZXVUHZFO-QHHAFSJGSA-N -1 3 346.724 3.694 20 30 EHEDHM C#CCC1(NCc2coc(-c3ccc(C(=O)[O-])cc3)n2)CCCCC1 ZINC001588427881 983458569 /nfs/dbraw/zinc/45/85/69/983458569.db2.gz QCXIZADBUAQEOA-UHFFFAOYSA-N -1 3 338.407 3.856 20 30 EHEDHM N#CC(=C([O-])C=Cc1cccnc1)c1nc2ccccc2n1C(F)F ZINC000254950497 1015219499 /nfs/dbraw/zinc/21/94/99/1015219499.db2.gz GMKNRYGFQWLBCA-WSROAFLRSA-N -1 3 338.317 3.716 20 30 EHEDHM C[C@@H](C(=O)[O-])[C@@H](NCc1cc(Cl)cc(C#N)c1)c1ccccc1 ZINC001589469619 986945492 /nfs/dbraw/zinc/94/54/92/986945492.db2.gz WBTDNEDEDQGHMD-SJKOYZFVSA-N -1 3 328.799 3.763 20 30 EHEDHM CC(C)[C@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1F ZINC001591024861 991321213 /nfs/dbraw/zinc/32/12/13/991321213.db2.gz ZJYAWGHXALZULX-ROUUACIJSA-N -1 3 326.371 3.810 20 30 EHEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1nccn1CC(F)(F)F ZINC000728699516 1017719422 /nfs/dbraw/zinc/71/94/22/1017719422.db2.gz SWCHYQNMOGNZIF-GTUWVTDSSA-N -1 3 340.276 3.674 20 30 EHEDHM [O-]c1c(O)ccc(C=Nc2cc(Cl)ccc2Br)c1O ZINC000255134310 1018017547 /nfs/dbraw/zinc/01/75/47/1018017547.db2.gz RODRVSOIAZMHFV-UHFFFAOYSA-N -1 3 342.576 3.970 20 30 EHEDHM N#Cc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)cc1 ZINC000340678004 1019184746 /nfs/dbraw/zinc/18/47/46/1019184746.db2.gz LIJMYJBFYOBNEV-INIZCTEOSA-N -1 3 348.324 3.883 20 30 EHEDHM CC1(C)CC(N=Nc2cccc(C(=O)[O-])c2)CN1Cc1ccccc1 ZINC000761249943 1032841927 /nfs/dbraw/zinc/84/19/27/1032841927.db2.gz ADLHYKAHPYVYDY-UHFFFAOYSA-N -1 3 337.423 3.837 20 30 EHEDHM CC1(C)CC(N=Nc2ccc(C(=O)[O-])cc2)CN1Cc1ccccc1 ZINC000761252860 1032861134 /nfs/dbraw/zinc/86/11/34/1032861134.db2.gz WAYLGLFAFCQMFD-UHFFFAOYSA-N -1 3 337.423 3.837 20 30 EHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccn(-c4ccccc4)n3)nc21 ZINC000345407011 1020225193 /nfs/dbraw/zinc/22/51/93/1020225193.db2.gz XNIOQRRQJPVOFA-HNNXBMFYSA-N -1 3 341.374 3.547 20 30 EHEDHM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000126598067 1021103910 /nfs/dbraw/zinc/10/39/10/1021103910.db2.gz HPNIVTFOADLUMI-UHFFFAOYSA-N -1 3 341.219 3.974 20 30 EHEDHM COc1cc(/C=C/c2ncccc2C#N)c(Br)cc1[O-] ZINC000436920666 1021379780 /nfs/dbraw/zinc/37/97/80/1021379780.db2.gz AFEKTLFTDATUHZ-SNAWJCMRSA-N -1 3 331.169 3.600 20 30 EHEDHM CCc1cc(C#N)c([N-]C(=O)c2ccc(Br)o2)s1 ZINC000126757161 1021503756 /nfs/dbraw/zinc/50/37/56/1021503756.db2.gz LIYGJMXCVWJHHY-UHFFFAOYSA-N -1 3 325.187 3.790 20 30 EHEDHM CC(C)(C)c1ccc(NC(=O)c2ncc(C#N)cc2Cl)c([O-])c1 ZINC000506244304 1022697954 /nfs/dbraw/zinc/69/79/54/1022697954.db2.gz WLIQAXSJBDCYND-UHFFFAOYSA-N -1 3 329.787 3.862 20 30 EHEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCCC[C@H]2CC(F)(F)F)c1[O-] ZINC000840707928 1024788588 /nfs/dbraw/zinc/78/85/88/1024788588.db2.gz SVNKEUSWJZYYDD-SOAVZJEESA-N -1 3 330.350 3.518 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1cccc2ccccc21 ZINC000060943843 1033290566 /nfs/dbraw/zinc/29/05/66/1033290566.db2.gz VSSAUURDPQLBIB-UHFFFAOYSA-N -1 3 346.386 3.555 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1ccc2ccccc2c1 ZINC000060943999 1033291415 /nfs/dbraw/zinc/29/14/15/1033291415.db2.gz IPLWLEYUTDRSBN-UHFFFAOYSA-N -1 3 346.386 3.555 20 30 EHEDHM Cc1cccc([C@@H](O)C/N=C\c2cc(Br)ccc2[O-])c1 ZINC000255501205 1026018545 /nfs/dbraw/zinc/01/85/45/1026018545.db2.gz GHEFMDGWDAEGAQ-RSFAQHHSSA-N -1 3 334.213 3.616 20 30 EHEDHM N#CC(=C([O-])c1ccc(COc2ccc(C#N)cc2)o1)c1ccccn1 ZINC000076607475 1029020609 /nfs/dbraw/zinc/02/06/09/1029020609.db2.gz NJRFYXIFCGCCIL-KRWDZBQOSA-N -1 3 343.342 3.615 20 30 EHEDHM O=C(CC(F)(F)F)[N-][C@@H](c1c[nH]c2cccc(F)c21)C(F)(F)F ZINC000648581753 1029633419 /nfs/dbraw/zinc/63/34/19/1029633419.db2.gz FSVGYLGMSZDXSO-NSHDSACASA-N -1 3 342.214 3.979 20 30 EHEDHM C[C@@H]1C(=O)CC[C@H]1CC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904180150 1031804321 /nfs/dbraw/zinc/80/43/21/1031804321.db2.gz HVFYTMREBMLXJI-ONGXEEELSA-N -1 3 330.211 3.717 20 30 EHEDHM CCO[C@H](C)c1ncc(C(=O)N([O-])Cc2ccccc2Cl)s1 ZINC000904188848 1031834274 /nfs/dbraw/zinc/83/42/74/1031834274.db2.gz QGICHZNSWKDEOK-SNVBAGLBSA-N -1 3 340.832 3.926 20 30 EHEDHM CCOCc1nc(C)c(C(=O)N([O-])Cc2ccccc2Cl)s1 ZINC000904193104 1031840308 /nfs/dbraw/zinc/84/03/08/1031840308.db2.gz LEUZGUDAHQCTMQ-UHFFFAOYSA-N -1 3 340.832 3.673 20 30 EHEDHM N#Cc1ccc(CN2CCCC[C@H]2CCC(=O)[O-])c(C(F)(F)F)c1 ZINC000595879560 1034016719 /nfs/dbraw/zinc/01/67/19/1034016719.db2.gz SWTCFZGROLEGHV-AWEZNQCLSA-N -1 3 340.345 3.796 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)[C@@H]1CCC[C@H](C)C1 ZINC000456999120 1035627486 /nfs/dbraw/zinc/62/74/86/1035627486.db2.gz KDMVCYIZJHJDCL-DUVNUKRYSA-N -1 3 343.471 3.539 20 30 EHEDHM CCCCCCN([O-])C(=O)Cn1nc(C(F)F)cc1C(F)F ZINC000900680031 1035692880 /nfs/dbraw/zinc/69/28/80/1035692880.db2.gz WJTVOZHXEBPONN-UHFFFAOYSA-N -1 3 325.306 3.556 20 30 EHEDHM CCc1ccc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)o1 ZINC000760240800 1036394659 /nfs/dbraw/zinc/39/46/59/1036394659.db2.gz HPFIGSNPPAVVQC-UHFFFAOYSA-N -1 3 344.465 3.897 20 30 EHEDHM CC(C)Cc1ccc(CC(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000045571907 1036508723 /nfs/dbraw/zinc/50/87/23/1036508723.db2.gz UETKEYZVAXBFRE-UHFFFAOYSA-N -1 3 326.322 3.853 20 30 EHEDHM CC(C)Cc1ccc(CC(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000045571907 1036508739 /nfs/dbraw/zinc/50/87/39/1036508739.db2.gz UETKEYZVAXBFRE-UHFFFAOYSA-N -1 3 326.322 3.853 20 30 EHEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000045571871 1036509979 /nfs/dbraw/zinc/50/99/79/1036509979.db2.gz BWCUMKREOQAMJN-HTQZYQBOSA-N -1 3 330.697 3.869 20 30 EHEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000045571871 1036509994 /nfs/dbraw/zinc/50/99/94/1036509994.db2.gz BWCUMKREOQAMJN-HTQZYQBOSA-N -1 3 330.697 3.869 20 30 EHEDHM C=CCc1ccc(OCC(=O)Nc2cc(Cl)ccc2[O-])c(OC)c1 ZINC000302222121 1036564479 /nfs/dbraw/zinc/56/44/79/1036564479.db2.gz MKXTVODRVHJHKG-UHFFFAOYSA-N -1 3 347.798 3.800 20 30 EHEDHM CCCCN1Cc2cccc(/N=C/c3ccc(O)c([O-])c3O)c2C1 ZINC000171157285 1037484674 /nfs/dbraw/zinc/48/46/74/1037484674.db2.gz QJAVKEQBIQMRJL-KEBDBYFISA-N -1 3 326.396 3.670 20 30 EHEDHM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)c1 ZINC000432765126 1039085706 /nfs/dbraw/zinc/08/57/06/1039085706.db2.gz YEWDJLOBWRPEPA-UHFFFAOYSA-N -1 3 346.452 3.508 20 30 EHEDHM CCOc1cc(/C=C\c2ccncc2C#N)cc(Br)c1[O-] ZINC000436813037 1039388904 /nfs/dbraw/zinc/38/89/04/1039388904.db2.gz CNBINAJSSHLWJZ-ARJAWSKDSA-N -1 3 345.196 3.990 20 30 EHEDHM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000908659098 1040560700 /nfs/dbraw/zinc/56/07/00/1040560700.db2.gz KESKNWLMLNFLEY-AWEZNQCLSA-N -1 3 341.329 3.551 20 30 EHEDHM C=CCn1c2ccccc2nc1S[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000487191957 1040776297 /nfs/dbraw/zinc/77/62/97/1040776297.db2.gz UCKHNGPCHGXCIU-GFCCVEGCSA-N -1 3 326.425 3.880 20 30 EHEDHM N#CC(=C([O-])c1c[nH]nc1-c1ccc(Cl)s1)c1ccccn1 ZINC000188677024 1043626029 /nfs/dbraw/zinc/62/60/29/1043626029.db2.gz DAXBBNAHXFCZOS-SECBINFHSA-N -1 3 328.784 3.677 20 30 EHEDHM CCCc1c(C([O-])=C(C#N)c2ccccn2)cnn1-c1cccc(F)c1 ZINC000344425403 1043993707 /nfs/dbraw/zinc/99/37/07/1043993707.db2.gz SKIWGNXYIWRMFC-MRXNPFEDSA-N -1 3 348.381 3.849 20 30 EHEDHM CCCCCCN([O-])C(=O)Cc1ccc(F)c(Br)c1 ZINC001649057215 1128058472 /nfs/dbraw/zinc/05/84/72/1128058472.db2.gz UCLKMKZLSRUCGF-UHFFFAOYSA-N -1 3 332.213 3.929 20 30 EHEDHM COC(=O)c1ccc(CC(=O)N([O-])Cc2cccc3ccccc32)cc1 ZINC001649069850 1128134830 /nfs/dbraw/zinc/13/48/30/1128134830.db2.gz KBKYOVHVHDBGDF-UHFFFAOYSA-N -1 3 349.386 3.587 20 30 EHEDHM [O-]c1ccc(Cl)cc1/C=N\CCNc1ccc(C(F)(F)F)cn1 ZINC000914701196 1120955391 /nfs/dbraw/zinc/95/53/91/1120955391.db2.gz BMGZFDQPSJUODH-ZBKNUEDVSA-N -1 3 343.736 3.990 20 30 EHEDHM C=CCOc1ccc(/C=C\C(=O)c2cc(OC)c([O-])cc2OC)cc1 ZINC000763103362 1121682611 /nfs/dbraw/zinc/68/26/11/1121682611.db2.gz BTEOEVWMPPQXBC-YFHOEESVSA-N -1 3 340.375 3.870 20 30 EHEDHM O=C(CCc1ccccn1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001649026039 1121847173 /nfs/dbraw/zinc/84/71/73/1121847173.db2.gz LQVJPDHGFYRVFZ-UHFFFAOYSA-N -1 3 325.195 3.739 20 30 EHEDHM O=C(c1cc(F)ccc1Br)N([O-])Cc1ccc(F)cc1 ZINC000901375941 1123356055 /nfs/dbraw/zinc/35/60/55/1123356055.db2.gz NZSFNYNRABAENM-UHFFFAOYSA-N -1 3 342.139 3.759 20 30 EHEDHM Cc1ncc2c(n1)CCC[C@H]2/N=C\c1cc(Br)ccc1[O-] ZINC000734753256 1131272113 /nfs/dbraw/zinc/27/21/13/1131272113.db2.gz QLTMONRCVAKLOG-HFTHVURISA-N -1 3 346.228 3.750 20 30 EHEDHM COC(=O)Cc1ccccc1N=Cc1cc(Br)ccc1[O-] ZINC000255843451 1129209740 /nfs/dbraw/zinc/20/97/40/1129209740.db2.gz UTTZIQYNKVKNOY-UHFFFAOYSA-N -1 3 348.196 3.621 20 30 EHEDHM N#Cc1ccccc1-c1ccccc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000132697081 1129913793 /nfs/dbraw/zinc/91/37/93/1129913793.db2.gz OHTXXKTWLALGSI-UHFFFAOYSA-N -1 3 346.361 4.000 20 30 EHEDHM Cc1ncc(CO)c(/C=N/[C@H](C)c2csc3ccccc32)c1[O-] ZINC000729936252 1130656172 /nfs/dbraw/zinc/65/61/72/1130656172.db2.gz MXMFZCDATUXVKD-VNQCRBAESA-N -1 3 326.421 3.983 20 30 EHEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)c2csc3ccccc32)c1[O-] ZINC000729936253 1130656240 /nfs/dbraw/zinc/65/62/40/1130656240.db2.gz MXMFZCDATUXVKD-WTBFLKMWSA-N -1 3 326.421 3.983 20 30 EHEDHM O=C1[C@@H](/N=C/c2cc(Cl)ccc2[O-])CCN1c1ccc(Cl)cc1 ZINC000739426541 1131502270 /nfs/dbraw/zinc/50/22/70/1131502270.db2.gz NACIEYUXWXPJLD-VYXQJKENSA-N -1 3 349.217 3.923 20 30 EHEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCC[C@H]1c1ccc(F)cc1 ZINC000741163368 1131581950 /nfs/dbraw/zinc/58/19/50/1131581950.db2.gz RCPIIFUNCBZMJZ-KRWDZBQOSA-N -1 3 346.427 3.569 20 30 EHEDHM CC1(C)[C@H](/N=C\c2cc(Br)ccc2[O-])[C@@H]2CCCO[C@H]21 ZINC000741464223 1131605307 /nfs/dbraw/zinc/60/53/07/1131605307.db2.gz MMNABGAHOSMZCC-HBTIJLPGSA-N -1 3 338.245 3.777 20 30 EHEDHM COc1cc(/C=C/C(=O)c2ccc3c(c2)COC3)cc(Cl)c1[O-] ZINC000742437478 1131730832 /nfs/dbraw/zinc/73/08/32/1131730832.db2.gz URLHYRMDXYKOBF-GORDUTHDSA-N -1 3 330.767 3.981 20 30 EHEDHM Cc1ccc(N[C@](C)(C#N)c2ccccc2Cl)cc1-c1nnn[n-]1 ZINC001169390690 1132744995 /nfs/dbraw/zinc/74/49/95/1132744995.db2.gz KXVYPCZMXUKYFY-QGZVFWFLSA-N -1 3 338.802 3.679 20 30 EHEDHM Cc1ccc(N[C@](C)(C#N)c2ccccc2Cl)cc1-c1nn[n-]n1 ZINC001169390690 1132745001 /nfs/dbraw/zinc/74/50/01/1132745001.db2.gz KXVYPCZMXUKYFY-QGZVFWFLSA-N -1 3 338.802 3.679 20 30 EHEDHM N#Cc1cc(Cl)c(C(=O)Nc2ccc([O-])cc2F)c(Cl)c1 ZINC000773689020 1133080668 /nfs/dbraw/zinc/08/06/68/1133080668.db2.gz SYIIKJTWIILWEW-UHFFFAOYSA-N -1 3 325.126 3.962 20 30 EHEDHM N#Cc1cc(NC(=O)/C=C/c2cccc(OC(F)(F)F)c2)ccc1[O-] ZINC001179945342 1133303789 /nfs/dbraw/zinc/30/37/89/1133303789.db2.gz BMJYEDCEFWGGLU-QPJJXVBHSA-N -1 3 348.280 3.814 20 30 EHEDHM COc1cc(/C=C2/CC(=O)Nc3ccccc3C2=O)cc(Cl)c1[O-] ZINC000774141675 1133613899 /nfs/dbraw/zinc/61/38/99/1133613899.db2.gz MDLSVNQXHWYYOW-WDZFZDKYSA-N -1 3 343.766 3.663 20 30 EHEDHM CCCCN([O-])C(=O)C[C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001184315407 1133920435 /nfs/dbraw/zinc/92/04/35/1133920435.db2.gz YCYYVKGTORZURA-LSDHHAIUSA-N -1 3 342.480 3.678 20 30 EHEDHM C=CCc1c(F)c(F)c(C(=O)[N-]c2cc(=O)[nH]cc2C)c(F)c1F ZINC001186713432 1134247600 /nfs/dbraw/zinc/24/76/00/1134247600.db2.gz MMAFTPNAMFWNCV-UHFFFAOYSA-N -1 3 340.276 3.633 20 30 EHEDHM N#CCCN(Cc1ccco1)C(=O)c1cc2sccc2c([O-])c1 ZINC000791343868 1134534403 /nfs/dbraw/zinc/53/44/03/1134534403.db2.gz KPRKQGLUDAOMET-UHFFFAOYSA-N -1 3 326.377 3.756 20 30 EHEDHM C=CCCCC[N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1 ZINC001189541200 1134596615 /nfs/dbraw/zinc/59/66/15/1134596615.db2.gz QJYVRWNETMJEPE-UHFFFAOYSA-N -1 3 336.482 3.753 20 30 EHEDHM N#Cc1cc(F)c(C(=O)[N-]c2cc(F)c(Cl)nc2Cl)c(F)c1 ZINC001191907562 1134936496 /nfs/dbraw/zinc/93/64/96/1134936496.db2.gz PEYRGMBCQXSJMH-UHFFFAOYSA-N -1 3 346.095 3.930 20 30 EHEDHM C#CC[C@H](Cc1ccccc1)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000804455475 1135073794 /nfs/dbraw/zinc/07/37/94/1135073794.db2.gz HPGSHKKPHPKFNR-GOSISDBHSA-N -1 3 339.410 3.605 20 30 EHEDHM CCCCCCC[C@H](C)NC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001192939137 1135079844 /nfs/dbraw/zinc/07/98/44/1135079844.db2.gz VZWWDLFVJZSZKD-LBPRGKRZSA-N -1 3 346.431 3.912 20 30 EHEDHM [O-]c1ccc(Br)cc1/C=N/Cc1nccc(C(F)F)n1 ZINC000806552446 1135456700 /nfs/dbraw/zinc/45/67/00/1135456700.db2.gz UBGVMUVYQGRTEL-UBKPWBPPSA-N -1 3 342.143 3.501 20 30 EHEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC3)cc1C#N ZINC001201320079 1136007182 /nfs/dbraw/zinc/00/71/82/1136007182.db2.gz PNECLRALSKUFHZ-UHFFFAOYSA-N -1 3 326.421 3.546 20 30 EHEDHM N#CC(=C([O-])C=C1CCSCC1)c1cc(C(F)(F)F)ccn1 ZINC000813211812 1136303142 /nfs/dbraw/zinc/30/31/42/1136303142.db2.gz QWJLHSNTPYVFCE-LBPRGKRZSA-N -1 3 326.343 3.730 20 30 EHEDHM CCOC(=O)N1CCC[C@H]([C@H](C)/N=C\c2cc(Cl)ccc2[O-])C1 ZINC000776722592 1136600437 /nfs/dbraw/zinc/60/04/37/1136600437.db2.gz UNCIZCQIYWSVAI-OPLCJFEYSA-N -1 3 338.835 3.722 20 30 EHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])[C@H]1CCCC(F)(F)C1 ZINC000845844962 1137312403 /nfs/dbraw/zinc/31/24/03/1137312403.db2.gz LBQWMXNRSVPSIA-ZFWWWQNUSA-N -1 3 331.362 3.822 20 30 EHEDHM N#CCCN(Cc1ccc(Cl)cc1)C(=O)Cc1ccc([O-])c(F)c1 ZINC001144629014 1137320503 /nfs/dbraw/zinc/32/05/03/1137320503.db2.gz QIBSRJXPIYLBMH-UHFFFAOYSA-N -1 3 346.789 3.670 20 30 EHEDHM C=C[C@H](C)O[N-]C(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000846542754 1137354931 /nfs/dbraw/zinc/35/49/31/1137354931.db2.gz BPWSCRIMLXHQJP-BFHYXJOUSA-N -1 3 328.437 3.968 20 30 EHEDHM COc1ccc(C(=O)/C=C/c2c(F)ccc([O-])c2F)cc1NC(C)=O ZINC000794936820 1137368134 /nfs/dbraw/zinc/36/81/34/1137368134.db2.gz ZYGSXTQFTMJHID-GQCTYLIASA-N -1 3 347.317 3.534 20 30 EHEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1cnn(Cc2ccccc2)c1 ZINC000794941815 1137374063 /nfs/dbraw/zinc/37/40/63/1137374063.db2.gz ZADDJLBYIKSLOJ-SOFGYWHQSA-N -1 3 340.329 3.811 20 30 EHEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1c(Cl)nc2ccccn21 ZINC000794943611 1137374128 /nfs/dbraw/zinc/37/41/28/1137374128.db2.gz ZCIVETYXSWKMHJ-GQCTYLIASA-N -1 3 334.709 3.868 20 30 EHEDHM Cc1cc(C(=O)/C=C\c2ccc3c(c2)sc(=O)n3C)ccc1[O-] ZINC000773140183 1137469062 /nfs/dbraw/zinc/46/90/62/1137469062.db2.gz PPPHEHGSWJCQLQ-DAXSKMNVSA-N -1 3 325.389 3.510 20 30 EHEDHM CCCCCCCOc1ccc(-c2noc(-c3cnn[n-]3)n2)cc1 ZINC001212799293 1137943872 /nfs/dbraw/zinc/94/38/72/1137943872.db2.gz RYSBCYAOECFQFG-UHFFFAOYSA-N -1 3 327.388 3.871 20 30 EHEDHM CCCCCCCOc1ccc(-c2noc(-c3c[n-]nn3)n2)cc1 ZINC001212799293 1137943873 /nfs/dbraw/zinc/94/38/73/1137943873.db2.gz RYSBCYAOECFQFG-UHFFFAOYSA-N -1 3 327.388 3.871 20 30 EHEDHM C[C@@H](CC(=O)Nc1nnc(C(F)(F)F)[n-]1)Cc1cccc(F)c1 ZINC000073028414 1138110284 /nfs/dbraw/zinc/11/02/84/1138110284.db2.gz XHQHCOBVLYBINX-MRVPVSSYSA-N -1 3 330.285 3.820 20 30 EHEDHM C[C@@H](CC(=O)Nc1nc(C(F)(F)F)n[n-]1)Cc1cccc(F)c1 ZINC000073028414 1138110286 /nfs/dbraw/zinc/11/02/86/1138110286.db2.gz XHQHCOBVLYBINX-MRVPVSSYSA-N -1 3 330.285 3.820 20 30 EHEDHM Cc1cc(F)ccc1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC000822205687 599113075 /nfs/dbraw/zinc/11/30/75/599113075.db2.gz FBPVRHRPTIOTKM-ZROIWOOFSA-N -1 3 334.354 3.527 20 30 EHEDHM Cc1cc(F)ccc1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC000822205687 599113076 /nfs/dbraw/zinc/11/30/76/599113076.db2.gz FBPVRHRPTIOTKM-ZROIWOOFSA-N -1 3 334.354 3.527 20 30 EHEDHM C=CC[C@H](C)C(C)N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000735409689 598511777 /nfs/dbraw/zinc/51/17/77/598511777.db2.gz IRYBVPMQVIHKPX-VIFPVBQESA-N -1 3 338.337 3.886 20 30 EHEDHM C=CC[C@H](C)C(C)N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000735409689 598511780 /nfs/dbraw/zinc/51/17/80/598511780.db2.gz IRYBVPMQVIHKPX-VIFPVBQESA-N -1 3 338.337 3.886 20 30 EHEDHM CC(C)(C)c1ncc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000735656521 599461963 /nfs/dbraw/zinc/46/19/63/599461963.db2.gz YYHOCFWTTDFVJM-FPLPWBNLSA-N -1 3 339.424 3.517 20 30 EHEDHM CC(C)(C)c1ncc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000735656521 599461966 /nfs/dbraw/zinc/46/19/66/599461966.db2.gz YYHOCFWTTDFVJM-FPLPWBNLSA-N -1 3 339.424 3.517 20 30 EHEDHM C[C@@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(OC(F)F)cc1 ZINC000736661618 600591949 /nfs/dbraw/zinc/59/19/49/600591949.db2.gz GNPWTSHBTGDRPT-BZNIZROVSA-N -1 3 346.333 3.636 20 30 EHEDHM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(F)c(Cl)c1 ZINC000736662705 600595485 /nfs/dbraw/zinc/59/54/85/600595485.db2.gz RZPXBEAWAWKRFG-QLJPJBMISA-N -1 3 332.762 3.827 20 30 EHEDHM N#Cc1ccc([C@@H](NCc2ccc(-c3cccnc3)cc2)C(=O)[O-])cc1 ZINC000833071537 600761064 /nfs/dbraw/zinc/76/10/64/600761064.db2.gz GPSHCFSHJLZVKP-HXUWFJFHSA-N -1 3 343.386 3.536 20 30 EHEDHM C[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(F)c(Cl)c1 ZINC000827717350 601301926 /nfs/dbraw/zinc/30/19/26/601301926.db2.gz GTAYJGHKLYZIRI-QFYYESIMSA-N -1 3 332.762 3.827 20 30 EHEDHM CSc1cc(C)ccc1CN[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000832774698 601644513 /nfs/dbraw/zinc/64/45/13/601644513.db2.gz ZARWRGXHKLZCBM-QGZVFWFLSA-N -1 3 326.421 3.504 20 30 EHEDHM COc1ccc(C=C2C[C@@H](C)c3ccccc3C2=O)cc1-c1nnn[n-]1 ZINC000826190920 607681372 /nfs/dbraw/zinc/68/13/72/607681372.db2.gz QVKVEHBRONDXEK-XTCQQWIJSA-N -1 3 346.390 3.649 20 30 EHEDHM COc1ccc(C=C2C[C@@H](C)c3ccccc3C2=O)cc1-c1nn[n-]n1 ZINC000826190920 607681374 /nfs/dbraw/zinc/68/13/74/607681374.db2.gz QVKVEHBRONDXEK-XTCQQWIJSA-N -1 3 346.390 3.649 20 30 EHEDHM CC(C)(C(=O)[O-])[C@H](NCc1cc(C#N)ccc1F)c1ccccc1 ZINC000833412500 605175250 /nfs/dbraw/zinc/17/52/50/605175250.db2.gz ASAIEYMYEMDKLP-QGZVFWFLSA-N -1 3 326.371 3.639 20 30 EHEDHM CC(C)c1ccc([C@@H](C)NN=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000820192338 606370534 /nfs/dbraw/zinc/37/05/34/606370534.db2.gz KJWHNWSJNVWEKD-GFCCVEGCSA-N -1 3 340.456 3.736 20 30 EHEDHM Clc1cc(C=NNc2cccc(-c3nnn[n-]3)c2)c2ncccc2c1 ZINC000822567661 606836557 /nfs/dbraw/zinc/83/65/57/606836557.db2.gz DTZSNLZCMYXIJF-UHFFFAOYSA-N -1 3 349.785 3.514 20 30 EHEDHM Clc1cc(C=NNc2cccc(-c3nn[n-]n3)c2)c2ncccc2c1 ZINC000822567661 606836558 /nfs/dbraw/zinc/83/65/58/606836558.db2.gz DTZSNLZCMYXIJF-UHFFFAOYSA-N -1 3 349.785 3.514 20 30 EHEDHM N#Cc1cccc(CSc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822837147 606851985 /nfs/dbraw/zinc/85/19/85/606851985.db2.gz GSGCHJDPQLPGSB-UHFFFAOYSA-N -1 3 327.800 3.684 20 30 EHEDHM N#Cc1cccc(CSc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822837147 606851987 /nfs/dbraw/zinc/85/19/87/606851987.db2.gz GSGCHJDPQLPGSB-UHFFFAOYSA-N -1 3 327.800 3.684 20 30 EHEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1F)CC2 ZINC000826294104 607814054 /nfs/dbraw/zinc/81/40/54/607814054.db2.gz IVWKSKBXTRFKAA-NTEUORMPSA-N -1 3 334.354 3.527 20 30 EHEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)cc1F)CC2 ZINC000826294104 607814055 /nfs/dbraw/zinc/81/40/55/607814055.db2.gz IVWKSKBXTRFKAA-NTEUORMPSA-N -1 3 334.354 3.527 20 30 EHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000826400825 607915914 /nfs/dbraw/zinc/91/59/14/607915914.db2.gz JHVJOFKSAHZOSZ-FNORWQNLSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000826400825 607915915 /nfs/dbraw/zinc/91/59/15/607915915.db2.gz JHVJOFKSAHZOSZ-FNORWQNLSA-N -1 3 328.734 3.555 20 30 EHEDHM C=C[C@@H](CC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823882783 607989406 /nfs/dbraw/zinc/98/94/06/607989406.db2.gz DDDHSQDNMQYDGB-GJZGRUSLSA-N -1 3 348.406 3.831 20 30 EHEDHM C=C[C@@H](CC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823882783 607989407 /nfs/dbraw/zinc/98/94/07/607989407.db2.gz DDDHSQDNMQYDGB-GJZGRUSLSA-N -1 3 348.406 3.831 20 30 EHEDHM C#CCCCCC(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823841550 608290560 /nfs/dbraw/zinc/29/05/60/608290560.db2.gz OSUNLBNHKHHPBM-UHFFFAOYSA-N -1 3 346.390 3.633 20 30 EHEDHM C#CCCCCC(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823841550 608290561 /nfs/dbraw/zinc/29/05/61/608290561.db2.gz OSUNLBNHKHHPBM-UHFFFAOYSA-N -1 3 346.390 3.633 20 30 EHEDHM CC(C)[C@@H]1CCCCC1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824215030 608535517 /nfs/dbraw/zinc/53/55/17/608535517.db2.gz JOAWSJXHOLAUOE-NSHDSACASA-N -1 3 333.827 3.529 20 30 EHEDHM CC(C)[C@@H]1CCCCC1N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824215030 608535519 /nfs/dbraw/zinc/53/55/19/608535519.db2.gz JOAWSJXHOLAUOE-NSHDSACASA-N -1 3 333.827 3.529 20 30 EHEDHM CCC1(C)CCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)CC1 ZINC000825165115 608540614 /nfs/dbraw/zinc/54/06/14/608540614.db2.gz SSGKSGMHJZKCPS-UHFFFAOYSA-N -1 3 333.827 3.673 20 30 EHEDHM CCC1(C)CCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)CC1 ZINC000825165115 608540616 /nfs/dbraw/zinc/54/06/16/608540616.db2.gz SSGKSGMHJZKCPS-UHFFFAOYSA-N -1 3 333.827 3.673 20 30 EHEDHM N#CCc1ccc(CSc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826382771 609490796 /nfs/dbraw/zinc/49/07/96/609490796.db2.gz UGGMMVGEMXEFBL-UHFFFAOYSA-N -1 3 341.827 3.878 20 30 EHEDHM N#CCc1ccc(CSc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826382771 609490799 /nfs/dbraw/zinc/49/07/99/609490799.db2.gz UGGMMVGEMXEFBL-UHFFFAOYSA-N -1 3 341.827 3.878 20 30 EHEDHM CSc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000826230065 947673893 /nfs/dbraw/zinc/67/38/93/947673893.db2.gz CAKCHXRYWQUUGP-WTKPLQERSA-N -1 3 340.383 3.624 20 30 EHEDHM CSc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000826230065 947673906 /nfs/dbraw/zinc/67/39/06/947673906.db2.gz CAKCHXRYWQUUGP-WTKPLQERSA-N -1 3 340.383 3.624 20 30 EHEDHM C=CCCCCN1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-] ZINC000568074193 974662170 /nfs/dbraw/zinc/66/21/70/974662170.db2.gz ZKCVFBXZGUNADG-OAHLLOKOSA-N -1 3 338.245 3.617 20 30 EHEDHM C=CC[C@H]1CCCN(Cc2cc(C(=O)[O-])ccc2Br)C1 ZINC000903906109 981031234 /nfs/dbraw/zinc/03/12/34/981031234.db2.gz DBSOBRMOISLYBD-LBPRGKRZSA-N -1 3 338.245 3.935 20 30 EHEDHM C[C@@H]1[C@@H](Cc2ccccc2)CCN1Cc1cccc(C(=O)[O-])c1C#N ZINC001594188374 998730987 /nfs/dbraw/zinc/73/09/87/998730987.db2.gz QUGFFXJJGQOARU-NVXWUHKLSA-N -1 3 334.419 3.710 20 30 EHEDHM C[C@@H]1[C@@H](C(=O)[N-][C@@H](c2cccc(F)c2F)C(F)(F)F)C1(F)F ZINC000461118422 1032279591 /nfs/dbraw/zinc/27/95/91/1032279591.db2.gz JZXHTKMGDQHZJQ-OOSDCERQSA-N -1 3 329.215 3.586 20 30 EHEDHM N#CC1CCC(COC(=O)c2cccc3[n-]c(C(F)F)nc32)CC1 ZINC000924085415 1017291430 /nfs/dbraw/zinc/29/14/30/1017291430.db2.gz FCTVQYYLQNQKKA-UHFFFAOYSA-N -1 3 333.338 3.987 20 30 EHEDHM [O-]c1ccc(Cl)cc1C=Nc1ccc(N2CCOCC2)c(F)c1 ZINC000255067136 1017309112 /nfs/dbraw/zinc/30/91/12/1017309112.db2.gz ZVWIUBZTFIBJLG-UHFFFAOYSA-N -1 3 334.778 3.772 20 30 EHEDHM Cc1cc(C([O-])=C(C#N)c2ccncn2)c(C)n1[C@H](C)c1ccccc1 ZINC000760355106 1032885210 /nfs/dbraw/zinc/88/52/10/1032885210.db2.gz AIVHWULAAZGIJF-DNVCBOLYSA-N -1 3 344.418 3.994 20 30 EHEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000135142032 1020795553 /nfs/dbraw/zinc/79/55/53/1020795553.db2.gz BOTGOBMRUYQSIW-UHFFFAOYSA-N -1 3 330.771 3.713 20 30 EHEDHM C=CCN(CC=C)C(=O)c1ccc(NCc2cc([O-])cc(F)c2)cc1 ZINC000437254885 1021678908 /nfs/dbraw/zinc/67/89/08/1021678908.db2.gz LCQBHTGNHQMFGY-UHFFFAOYSA-N -1 3 340.398 3.958 20 30 EHEDHM C[C@H](C(=O)[N-][C@@H](C#N)c1cccc(Cl)c1Cl)C(F)(F)F ZINC000080161164 1033012301 /nfs/dbraw/zinc/01/23/01/1033012301.db2.gz AFONNPISQSOOOD-MUWHJKNJSA-N -1 3 325.117 3.873 20 30 EHEDHM C[C@H](c1cccc(C#N)c1)N(C)Cc1ncc(Br)cc1[O-] ZINC000895018136 1022377285 /nfs/dbraw/zinc/37/72/85/1022377285.db2.gz KLNQLCBVMNZZIR-LLVKDONJSA-N -1 3 346.228 3.614 20 30 EHEDHM CC(=O)c1ccc(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)cc1[O-] ZINC000331356618 1022801749 /nfs/dbraw/zinc/80/17/49/1022801749.db2.gz SDIFNSHSEBVWKO-YOEHRIQHSA-N -1 3 333.428 3.741 20 30 EHEDHM C=CCOc1ccc(CN[C@H](C(=O)[O-])c2ccccc2)cc1Cl ZINC000426778183 1023039129 /nfs/dbraw/zinc/03/91/29/1023039129.db2.gz VHBGFUXYTMADHC-KRWDZBQOSA-N -1 3 331.799 3.820 20 30 EHEDHM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)ccc1C#N ZINC000442229565 1025213564 /nfs/dbraw/zinc/21/35/64/1025213564.db2.gz MUMVCUICYKKJGC-UHFFFAOYSA-N -1 3 342.754 3.599 20 30 EHEDHM CCc1cc(C#N)c([N-]C(=O)c2cc(F)c(F)c(F)c2F)s1 ZINC000515715164 1025513140 /nfs/dbraw/zinc/51/31/40/1025513140.db2.gz HUUBLCVGJMFUER-UHFFFAOYSA-N -1 3 328.290 3.991 20 30 EHEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(C)cc1[O-] ZINC000436641836 1025989496 /nfs/dbraw/zinc/98/94/96/1025989496.db2.gz PGUVRROZONQQSD-UHFFFAOYSA-N -1 3 327.428 3.697 20 30 EHEDHM COCc1nocc1C(=O)[N-]c1sc2c(c1C#N)C[C@H](C)C[C@H]2C ZINC000425604402 1026047593 /nfs/dbraw/zinc/04/75/93/1026047593.db2.gz KGNYJLLUMHPISP-NXEZZACHSA-N -1 3 345.424 3.692 20 30 EHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccn(C4CCCC4)n3)nc21 ZINC000531653848 1027158370 /nfs/dbraw/zinc/15/83/70/1027158370.db2.gz PSQDQXRQWWKBLP-CQSZACIVSA-N -1 3 333.395 3.673 20 30 EHEDHM CC[C@@H]1C[C@@H](C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CCO1 ZINC000904180215 1031803587 /nfs/dbraw/zinc/80/35/87/1031803587.db2.gz JHLRRKLRXDQEAX-SMDDNHRTSA-N -1 3 332.227 3.916 20 30 EHEDHM CCOc1cccc(/C=C\C(=O)c2cc(OC)c([O-])cc2OC)c1 ZINC000255623260 1033737167 /nfs/dbraw/zinc/73/71/67/1033737167.db2.gz YKHSHZWPOKJPJB-HJWRWDBZSA-N -1 3 328.364 3.704 20 30 EHEDHM O=C([N-][C@H](c1ccc(OC(F)F)cc1)C(F)(F)F)[C@@H]1CC1(F)F ZINC000450511970 1034450034 /nfs/dbraw/zinc/45/00/34/1034450034.db2.gz OJYTYTFEYFUGPG-DTWKUNHWSA-N -1 3 345.214 3.663 20 30 EHEDHM CC(C)(C)Cn1c(=O)[nH]c2cccc(C([O-])=C(C#N)c3ccccn3)c21 ZINC000892481663 1034711504 /nfs/dbraw/zinc/71/15/04/1034711504.db2.gz RQMIAKAIPYRJFT-AWEZNQCLSA-N -1 3 348.406 3.673 20 30 EHEDHM COc1ccc(-c2nc(C([O-])=C(C#N)c3ccccn3)cs2)cc1 ZINC000041492917 1038099423 /nfs/dbraw/zinc/09/94/23/1038099423.db2.gz AERJGINGCQCZJY-CQSZACIVSA-N -1 3 335.388 3.704 20 30 EHEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(OC2CCCC2)c(Cl)c1 ZINC000416946684 1039251092 /nfs/dbraw/zinc/25/10/92/1039251092.db2.gz XHYKPFWTIDGVDF-CYBMUJFWSA-N -1 3 342.848 3.705 20 30 EHEDHM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc2sccc2c([O-])c1 ZINC000908661844 1040564200 /nfs/dbraw/zinc/56/42/00/1040564200.db2.gz WFGPEIGFXSYFEZ-AWEZNQCLSA-N -1 3 329.421 3.747 20 30 EHEDHM O=C(CCc1nc2ccccc2s1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000029388774 1040568316 /nfs/dbraw/zinc/56/83/16/1040568316.db2.gz HCCLTRHLDVCWLC-UHFFFAOYSA-N -1 3 341.318 3.654 20 30 EHEDHM O=C(CCc1nc2ccccc2s1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000029388774 1040568303 /nfs/dbraw/zinc/56/83/03/1040568303.db2.gz HCCLTRHLDVCWLC-UHFFFAOYSA-N -1 3 341.318 3.654 20 30 EHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)cc1 ZINC000033768691 1043836281 /nfs/dbraw/zinc/83/62/81/1043836281.db2.gz HLAQKBGDAVHBJL-UHFFFAOYSA-N -1 3 344.289 3.517 20 30 EHEDHM Cc1csc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1C#N ZINC000344931119 1044704804 /nfs/dbraw/zinc/70/48/04/1044704804.db2.gz SIEUPCFBDYPUJI-UHFFFAOYSA-N -1 3 327.321 3.835 20 30 EHEDHM [O-]c1ccc(CN=Nc2ncnc3ccsc32)cc1Br ZINC000764836262 1127540694 /nfs/dbraw/zinc/54/06/94/1127540694.db2.gz XHGRBTXKRZAXFS-UHFFFAOYSA-N -1 3 349.213 3.605 20 30 EHEDHM CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccc(C)cc1 ZINC000914474477 1120800008 /nfs/dbraw/zinc/80/00/08/1120800008.db2.gz AFKXGGRUXSYOGT-UHFFFAOYSA-N -1 3 337.423 3.570 20 30 EHEDHM COc1ccccc1/C=C\C=C\C(=O)c1cc(OC)c([O-])cc1OC ZINC000763107950 1121683827 /nfs/dbraw/zinc/68/38/27/1121683827.db2.gz ZVPKFRVAWGXKND-KHPAHMTISA-N -1 3 340.375 3.870 20 30 EHEDHM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC001212482419 1129089260 /nfs/dbraw/zinc/08/92/60/1129089260.db2.gz DBRJJVZEUGGLDP-QMTHXVAHSA-N -1 3 333.375 3.517 20 30 EHEDHM N#CC(=C([O-])c1cc(F)cc([N+](=O)[O-])c1)c1ccc2ccccc2n1 ZINC000609452254 1123582815 /nfs/dbraw/zinc/58/28/15/1123582815.db2.gz JCPKDGUFDRKMQT-OAHLLOKOSA-N -1 3 335.294 3.772 20 30 EHEDHM C[C@@H]1C[C@@H](/N=C/c2cc(Cl)ccc2[O-])C(=O)N1c1ccccc1 ZINC000132387475 1129236859 /nfs/dbraw/zinc/23/68/59/1129236859.db2.gz SLUKKUYGPQAINI-HEIHRAOQSA-N -1 3 328.799 3.659 20 30 EHEDHM Cc1ccc(C(=O)CCC(=O)Nc2n[n-]c(-c3ccco3)n2)cc1C ZINC000073974311 1129872819 /nfs/dbraw/zinc/87/28/19/1129872819.db2.gz PJZQTTRCYZCQHQ-UHFFFAOYSA-N -1 3 338.367 3.933 20 30 EHEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000730996500 1130759165 /nfs/dbraw/zinc/75/91/65/1130759165.db2.gz TZHRGAKDACTHSL-UHFFFAOYSA-N -1 3 329.421 3.623 20 30 EHEDHM Cc1cc(C(C#N)=C([O-])C=Cc2cnc(C(C)(C)C)s2)nc(C)n1 ZINC000744025692 1132005549 /nfs/dbraw/zinc/00/55/49/1132005549.db2.gz GQKADQSIRYZJLC-AFNCTOJWSA-N -1 3 340.452 3.737 20 30 EHEDHM Cc1ncc(CO)c(/C=N/CC(C)(C)c2cccc(Cl)c2)c1[O-] ZINC000745626895 1132283250 /nfs/dbraw/zinc/28/32/50/1132283250.db2.gz UPRJBSDTYJKDRU-AWQFTUOYSA-N -1 3 332.831 3.638 20 30 EHEDHM N#Cc1ccc(-c2ccccc2Nc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001175432185 1132667890 /nfs/dbraw/zinc/66/78/90/1132667890.db2.gz JWFYRJZGZIXBDT-UHFFFAOYSA-N -1 3 339.362 3.544 20 30 EHEDHM CCN(CC)C(=O)c1ccc(F)c(Nc2cc(C#N)ccc2[O-])c1 ZINC001176069009 1132841667 /nfs/dbraw/zinc/84/16/67/1132841667.db2.gz LNAAVPZOVVAADH-UHFFFAOYSA-N -1 3 327.359 3.629 20 30 EHEDHM COc1ccc(C([O-])=C(C#N)c2ccc3ccccc3n2)nc1Cl ZINC000766838290 1132864262 /nfs/dbraw/zinc/86/42/62/1132864262.db2.gz YJZBUEILPKCDKK-LBPRGKRZSA-N -1 3 337.766 3.782 20 30 EHEDHM C[C@]1(C/N=C/c2cc(Br)ccc2[O-])CCO[C@H]1C1CC1 ZINC000767337306 1132983148 /nfs/dbraw/zinc/98/31/48/1132983148.db2.gz JCHCKZIGONYJFC-DGMFMNFASA-N -1 3 338.245 3.779 20 30 EHEDHM COc1ccc2c(c1)nc(C/N=C/c1cc(Cl)ccc1[O-])n2C ZINC000769718895 1133335492 /nfs/dbraw/zinc/33/54/92/1133335492.db2.gz WKDVZNMJFVFSMB-DJKKODMXSA-N -1 3 329.787 3.560 20 30 EHEDHM CCc1cc2c(CN3CCCC(C)(C)[C@H]3C#N)cc(=O)oc2cc1[O-] ZINC000769894709 1133356586 /nfs/dbraw/zinc/35/65/86/1133356586.db2.gz XQMPKVIDVCLCSA-GOSISDBHSA-N -1 3 340.423 3.575 20 30 EHEDHM N#Cc1ccc(C(=O)COC(=O)c2cc3sccc3c([O-])c2)cc1 ZINC000786135355 1133811832 /nfs/dbraw/zinc/81/18/32/1133811832.db2.gz ASYWOBGMKIQGFH-UHFFFAOYSA-N -1 3 337.356 3.518 20 30 EHEDHM CCCCCCN([O-])C(=O)CN(CC)Cc1ccccc1Cl ZINC001184305274 1133918835 /nfs/dbraw/zinc/91/88/35/1133918835.db2.gz CMDLUCGOCABKAN-UHFFFAOYSA-N -1 3 326.868 3.960 20 30 EHEDHM Cn1cc(C(=O)N([O-])Cc2ccccc2Cl)c(-c2ccccc2)n1 ZINC001184283083 1133923298 /nfs/dbraw/zinc/92/32/98/1133923298.db2.gz CCNQQCZGUUGTIH-UHFFFAOYSA-N -1 3 341.798 3.772 20 30 EHEDHM O=C(c1cc(=O)c2ccc(F)cc2o1)N([O-])Cc1ccccc1Cl ZINC001184283799 1133923377 /nfs/dbraw/zinc/92/33/77/1133923377.db2.gz QORYXZNQWBRSKY-UHFFFAOYSA-N -1 3 347.729 3.617 20 30 EHEDHM CC(C)(C)c1noc([N-]C(=O)Nc2c(F)cc(F)cc2F)c1C#N ZINC001186021199 1134160740 /nfs/dbraw/zinc/16/07/40/1134160740.db2.gz VMKQFFJAPZFFNI-UHFFFAOYSA-N -1 3 338.289 3.905 20 30 EHEDHM N#Cc1cc(NC(=O)c2ccc(C(F)(F)F)c(F)c2F)ccc1[O-] ZINC001186480469 1134219985 /nfs/dbraw/zinc/21/99/85/1134219985.db2.gz RJZGMTZWYDJARH-UHFFFAOYSA-N -1 3 342.223 3.813 20 30 EHEDHM C=CCCCCCC[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000805103857 1134678897 /nfs/dbraw/zinc/67/88/97/1134678897.db2.gz FLTMCBUUKGORIF-UHFFFAOYSA-N -1 3 336.379 3.515 20 30 EHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](CC2CC2)c2ccccc2)c1 ZINC001190677838 1134738040 /nfs/dbraw/zinc/73/80/40/1134738040.db2.gz UWZLSXNOHMBEBN-KRWDZBQOSA-N -1 3 344.411 3.517 20 30 EHEDHM N#Cc1cc([O-])ccc1NC(=O)Nc1ccccc1OC(F)(F)F ZINC001190683882 1134738778 /nfs/dbraw/zinc/73/87/78/1134738778.db2.gz MDTVBZVBGQBPID-UHFFFAOYSA-N -1 3 337.257 3.806 20 30 EHEDHM C=CCCCCCCC[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC001191006893 1134778726 /nfs/dbraw/zinc/77/87/26/1134778726.db2.gz GURIJWNFLXXBSP-UHFFFAOYSA-N -1 3 334.844 3.679 20 30 EHEDHM CCCc1ccc(-c2ccc([N-]S(=O)(=O)[C@H](C)C#N)cc2)cc1 ZINC001193161319 1135111355 /nfs/dbraw/zinc/11/13/55/1135111355.db2.gz OEBVNAUDFGRNBP-CQSZACIVSA-N -1 3 328.437 3.960 20 30 EHEDHM COc1ccccc1-c1cc(C(=O)[N-]c2cc(C#N)ccc2F)no1 ZINC001129597844 1135118743 /nfs/dbraw/zinc/11/87/43/1135118743.db2.gz OUGMFGDPPSLYAD-UHFFFAOYSA-N -1 3 337.310 3.613 20 30 EHEDHM COCCN(Cc1ccc(C#N)cc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775657162 1135428569 /nfs/dbraw/zinc/42/85/69/1135428569.db2.gz WKDWSOGIUWUWCI-UHFFFAOYSA-N -1 3 348.805 3.705 20 30 EHEDHM Cc1cc(C#N)c([N-]C(=O)c2cc(-c3cccc(C#N)c3)on2)s1 ZINC001196759802 1135602917 /nfs/dbraw/zinc/60/29/17/1135602917.db2.gz OWYYYOWORCFICO-UHFFFAOYSA-N -1 3 334.360 3.707 20 30 EHEDHM Cc1ccc2snc(C([O-])=C(C#N)C(=O)Nc3ccccc3)c2c1 ZINC000815907690 1136646983 /nfs/dbraw/zinc/64/69/83/1136646983.db2.gz HXALQEROXIYICC-AWEZNQCLSA-N -1 3 335.388 3.566 20 30 EHEDHM CC(=N[N-]c1nc2cccnc2s1)c1nc2c(s1)CCCC2 ZINC000857218685 1136854878 /nfs/dbraw/zinc/85/48/78/1136854878.db2.gz PLCDWGYFLBLWMH-UHFFFAOYSA-N -1 3 329.454 3.863 20 30 EHEDHM CN(C)C(=O)c1cccc(N=Cc2cc(Br)ccc2[O-])c1 ZINC000819839435 1136963912 /nfs/dbraw/zinc/96/39/12/1136963912.db2.gz KLNZTLWFGCRIEG-UHFFFAOYSA-N -1 3 347.212 3.607 20 30 EHEDHM N#CC(C(=O)c1cc2c(s1)CCCC2)=C([O-])C=Cc1cccnc1 ZINC000845835521 1137314296 /nfs/dbraw/zinc/31/42/96/1137314296.db2.gz BIIIECWXRDKGOD-ZPIQOJFGSA-N -1 3 336.416 3.627 20 30 EHEDHM CC(C)(C)OC(=O)C=Cc1cc(C([O-])=C(C#N)c2ccccn2)co1 ZINC000873498012 1137601093 /nfs/dbraw/zinc/60/10/93/1137601093.db2.gz RBIAHALRJUVOBR-KIUWMYQTSA-N -1 3 338.363 3.520 20 30 EHEDHM Cc1cccc2nc(C(C#N)=C([O-])c3noc4c3CC(C)(C)CC4)[nH]c21 ZINC000873504994 1137601179 /nfs/dbraw/zinc/60/11/79/1137601179.db2.gz NVQPMRRHZFXODG-CYBMUJFWSA-N -1 3 348.406 3.864 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CCC1CCCCC1 ZINC000263814306 1138373104 /nfs/dbraw/zinc/37/31/04/1138373104.db2.gz OZFOIWFABCBLLS-UHFFFAOYSA-N -1 3 343.471 3.637 20 30 EHEDHM COC(=O)c1cc(C)c(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)o1 ZINC000889708133 1139257946 /nfs/dbraw/zinc/25/79/46/1139257946.db2.gz OZTGXAZCFNJWRI-UHFFFAOYSA-N -1 3 346.408 3.858 20 30 EHEDHM C=C[C@](C)(CC)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000190707388 1140415801 /nfs/dbraw/zinc/41/58/01/1140415801.db2.gz HWWGSUWYNLHJQB-LJQANCHMSA-N -1 3 325.412 3.540 20 30 EHEDHM C=CCN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C1CC1 ZINC000271491590 1141380506 /nfs/dbraw/zinc/38/05/06/1141380506.db2.gz UOOPBKPUFNPYLW-UHFFFAOYSA-N -1 3 327.409 3.807 20 30 EHEDHM C[C@H](SCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(C#N)cc1 ZINC000736190986 599332897 /nfs/dbraw/zinc/33/28/97/599332897.db2.gz URHQAZFIRJOZQH-NSHDSACASA-N -1 3 339.399 3.872 20 30 EHEDHM C[C@H](SCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(C#N)cc1 ZINC000736190986 599332899 /nfs/dbraw/zinc/33/28/99/599332899.db2.gz URHQAZFIRJOZQH-NSHDSACASA-N -1 3 339.399 3.872 20 30 EHEDHM CCCOc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000829528026 601302950 /nfs/dbraw/zinc/30/29/50/601302950.db2.gz OPYGKDFWXJAUOU-IFXJQAMLSA-N -1 3 338.407 3.824 20 30 EHEDHM CCc1oc(C(=O)[O-])cc1CN(Cc1ccc(C#N)cc1)C(C)C ZINC000830363065 601414229 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EHEDHM CCCCCCCC[C@H](C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001625779618 1014335640 /nfs/dbraw/zinc/33/56/40/1014335640.db2.gz PEBGOKXMAHZGHX-NSHDSACASA-N -1 3 334.386 3.826 20 30 EHEDHM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000562577301 1016091368 /nfs/dbraw/zinc/09/13/68/1016091368.db2.gz ABORVGYOVKXJBM-CQSZACIVSA-N -1 3 349.283 3.741 20 30 EHEDHM N#CC[C@@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000597906205 1032744360 /nfs/dbraw/zinc/74/43/60/1032744360.db2.gz KVMLNWQPTSCJEC-HNNXBMFYSA-N -1 3 336.391 3.950 20 30 EHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(F)(F)F ZINC000083536707 1019255596 /nfs/dbraw/zinc/25/55/96/1019255596.db2.gz GVXHOGZUCYGLGA-UHFFFAOYSA-N -1 3 344.289 3.517 20 30 EHEDHM Cc1sc([N-]C(=O)c2csc(C(F)(F)F)n2)c(C#N)c1C ZINC000340718399 1019592192 /nfs/dbraw/zinc/59/21/92/1019592192.db2.gz AUEBSDAXOXVZJB-UHFFFAOYSA-N -1 3 331.344 3.964 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1c2ccccc2CC1(C)C ZINC000602401216 1032845307 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N#CC1([N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)CCCCC1 ZINC000194653661 1024439998 /nfs/dbraw/zinc/43/99/98/1024439998.db2.gz COBDPPOBOVETKW-UHFFFAOYSA-N -1 3 347.267 3.639 20 30 EHEDHM Cc1ncc(CO)c(/C=N\[C@H]2CCCC[C@H]2CC(F)(F)F)c1[O-] ZINC000840707927 1024782205 /nfs/dbraw/zinc/78/22/05/1024782205.db2.gz SVNKEUSWJZYYDD-FHAHKZKGSA-N -1 3 330.350 3.518 20 30 EHEDHM C=CCNC(=O)Nc1ccc(NC(=O)c2cc(CC)ccc2[O-])cc1 ZINC000522149366 1026033052 /nfs/dbraw/zinc/03/30/52/1026033052.db2.gz QQMGDERUZYUARM-UHFFFAOYSA-N -1 3 339.395 3.514 20 30 EHEDHM N#CCCN(Cc1ccco1)Cc1cccc([O-])c1Br ZINC000459287146 1027284324 /nfs/dbraw/zinc/28/43/24/1027284324.db2.gz FEWKGXPUVZZOKP-UHFFFAOYSA-N -1 3 335.201 3.664 20 30 EHEDHM CC(C)Oc1cccc(CC(=O)Nc2n[n-]c(-c3ccco3)n2)c1 ZINC000069128206 1028420481 /nfs/dbraw/zinc/42/04/81/1028420481.db2.gz UAYTYLZLCGASKC-UHFFFAOYSA-N -1 3 326.356 3.683 20 30 EHEDHM C[C@H]1Cc2cccc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)c2O1 ZINC000453793127 1030517274 /nfs/dbraw/zinc/51/72/74/1030517274.db2.gz 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347.465 3.699 20 30 EHEDHM C=C[C@H](CCC(=O)[O-])NCc1ccc(-c2ccccc2)cc1OC ZINC000417604329 1040055186 /nfs/dbraw/zinc/05/51/86/1040055186.db2.gz BJAAWFMGVLJQNW-GOSISDBHSA-N -1 3 325.408 3.871 20 30 EHEDHM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1 ZINC000029048209 1040074964 /nfs/dbraw/zinc/07/49/64/1040074964.db2.gz WRAXPVBMKPYKIV-UHFFFAOYSA-N -1 3 344.436 3.588 20 30 EHEDHM N#Cc1ccc(Oc2cccc(C(=O)Nc3ncccc3[O-])c2)cc1 ZINC000343863486 1040870544 /nfs/dbraw/zinc/87/05/44/1040870544.db2.gz VHNKFKWXZRXZRB-UHFFFAOYSA-N -1 3 331.331 3.703 20 30 EHEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1ccc(Cn2cccn2)cc1 ZINC000783254741 1041057016 /nfs/dbraw/zinc/05/70/16/1041057016.db2.gz NAFHSLIOIMXSTN-NDENLUEZSA-N -1 3 325.799 3.910 20 30 EHEDHM N#Cc1ccccc1C(=O)/C=C/c1cc([O-])ccc1Br ZINC000194590658 1041298028 /nfs/dbraw/zinc/29/80/28/1041298028.db2.gz CTQTTWHVRTUPPK-VMPITWQZSA-N -1 3 328.165 3.922 20 30 EHEDHM CCCCCCN([O-])C(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC001649056454 1128056275 /nfs/dbraw/zinc/05/62/75/1128056275.db2.gz AHFGDWYWUVIGBV-KGLIPLIRSA-N -1 3 342.480 3.724 20 30 EHEDHM N#CC(=C([O-])c1ccc(Cl)nc1)c1nc2ccccc2n1C(F)F ZINC000915107217 1121197270 /nfs/dbraw/zinc/19/72/70/1121197270.db2.gz OBLAUKSOSOSITD-JTQLQIEISA-N -1 3 346.724 3.970 20 30 EHEDHM CCOC(=O)N[C@@H](C/N=C\c1cc(Cl)ccc1[O-])CC(C)C ZINC000915113618 1121199870 /nfs/dbraw/zinc/19/98/70/1121199870.db2.gz ZZDOYEFZNWXEMA-BBSXFRJVSA-N -1 3 326.824 3.625 20 30 EHEDHM Cc1nc(C(C)C)sc1C([O-])=C(C#N)C(=O)Nc1ccccc1 ZINC000916900709 1122382006 /nfs/dbraw/zinc/38/20/06/1122382006.db2.gz VKARDFIOYDGRKR-ZDUSSCGKSA-N -1 3 327.409 3.536 20 30 EHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1ccsc1 ZINC000916903367 1122383262 /nfs/dbraw/zinc/38/32/62/1122383262.db2.gz MVJCLOLNNVIGFC-OAHLLOKOSA-N -1 3 326.421 3.834 20 30 EHEDHM CC(C)CCN1c2ccccc2C(=N[N-]c2ncccc2Cl)C1=O ZINC000917549497 1122634892 /nfs/dbraw/zinc/63/48/92/1122634892.db2.gz PUFBAUYQMOWPPU-UHFFFAOYSA-N -1 3 342.830 3.944 20 30 EHEDHM CCNC(=O)c1cccc(N=Cc2cc(Br)ccc2[O-])c1 ZINC000920943912 1123441146 /nfs/dbraw/zinc/44/11/46/1123441146.db2.gz LNAYYAICFQSJGO-UHFFFAOYSA-N -1 3 347.212 3.655 20 30 EHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2oc(C)cc2C)cc1Cl ZINC000175112893 1123597413 /nfs/dbraw/zinc/59/74/13/1123597413.db2.gz UZVUJGWSNRAYFR-LBPRGKRZSA-N -1 3 346.770 3.520 20 30 EHEDHM C=CCN(Cc1cccc(C#N)c1)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000175604718 1123726197 /nfs/dbraw/zinc/72/61/97/1123726197.db2.gz IFARBOCNSDRMLA-UHFFFAOYSA-N -1 3 338.382 3.794 20 30 EHEDHM C=C[C@@](C)(CC)C(=O)Nc1cc(I)ccc1[O-] ZINC000615484682 1123814749 /nfs/dbraw/zinc/81/47/49/1123814749.db2.gz UUCOXLSRVVRLRF-ZDUSSCGKSA-N -1 3 345.180 3.538 20 30 EHEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@H](O)c1c(F)cccc1Cl ZINC000741165092 1131582549 /nfs/dbraw/zinc/58/25/49/1131582549.db2.gz GSZVEOGCOWBSPF-RJZHOQSWSA-N -1 3 328.170 3.991 20 30 EHEDHM CC1(C)[C@H](/N=C\c2cc(Br)ccc2[O-])[C@@H]2CCCO[C@@H]21 ZINC000741464224 1131605333 /nfs/dbraw/zinc/60/53/33/1131605333.db2.gz MMNABGAHOSMZCC-MJMASDAKSA-N -1 3 338.245 3.777 20 30 EHEDHM C#CCOc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1 ZINC000742029250 1131684878 /nfs/dbraw/zinc/68/48/78/1131684878.db2.gz CGFYDRWYIQITCH-UHFFFAOYSA-N -1 3 329.421 3.623 20 30 EHEDHM N#Cc1cc(Cl)c(-c2noc(-c3cncc([O-])c3)n2)cc1Cl ZINC001212708655 1131984991 /nfs/dbraw/zinc/98/49/91/1131984991.db2.gz NRWHYLDBFHZPHI-UHFFFAOYSA-N -1 3 333.134 3.683 20 30 EHEDHM C#CCCCCC(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000773631335 1133045616 /nfs/dbraw/zinc/04/56/16/1133045616.db2.gz WNFSMDRYAXYVNS-LLVKDONJSA-N -1 3 332.425 3.812 20 30 EHEDHM CC(C)c1csc(C(C#N)=C([O-])c2ccc(N(C)C)c(F)c2)n1 ZINC000770140875 1133392404 /nfs/dbraw/zinc/39/24/04/1133392404.db2.gz ILIIGRNSZXSIIE-LBPRGKRZSA-N -1 3 331.416 3.962 20 30 EHEDHM COCC1(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CCCC1 ZINC001184235922 1133913656 /nfs/dbraw/zinc/91/36/56/1133913656.db2.gz QGGDKXSNGMJGAU-UHFFFAOYSA-N -1 3 332.227 3.918 20 30 EHEDHM Cc1cc(C)n(CCCC(=O)N([O-])CCCCc2ccccc2)n1 ZINC001184305970 1133919937 /nfs/dbraw/zinc/91/99/37/1133919937.db2.gz YSFWQHHXLDWAAC-UHFFFAOYSA-N -1 3 329.444 3.521 20 30 EHEDHM O=C(Cc1ccc2c(c1)CCCO2)N([O-])Cc1ccccc1Cl ZINC001184283244 1133923489 /nfs/dbraw/zinc/92/34/89/1133923489.db2.gz DXGQAKPMCUKGAW-UHFFFAOYSA-N -1 3 331.799 3.626 20 30 EHEDHM Cc1ccccc1-n1cc(C(=O)N([O-])Cc2ccccc2Cl)cn1 ZINC001184283684 1133923656 /nfs/dbraw/zinc/92/36/56/1133923656.db2.gz OCSYJFFXWCJFNK-UHFFFAOYSA-N -1 3 341.798 3.866 20 30 EHEDHM CC(C)(C)OC(=O)C1(C(=O)N([O-])CCCCc2ccccc2)CCC1 ZINC001184293597 1133925319 /nfs/dbraw/zinc/92/53/19/1133925319.db2.gz ZZMOQAHDFVFQND-UHFFFAOYSA-N -1 3 347.455 3.739 20 30 EHEDHM Cc1ccn2cnc(C(=O)N([O-])Cc3cccc4ccccc43)c2c1 ZINC001184341202 1133930616 /nfs/dbraw/zinc/93/06/16/1133930616.db2.gz WRFNKXCBTHZMJH-UHFFFAOYSA-N -1 3 331.375 3.828 20 30 EHEDHM Cc1noc([N-]C(=O)Nc2c(C)cc(Br)cc2C)c1C#N ZINC001184843363 1133996765 /nfs/dbraw/zinc/99/67/65/1133996765.db2.gz XPPDYODIPQKVGO-UHFFFAOYSA-N -1 3 349.188 3.878 20 30 EHEDHM Cc1cc(F)c(C#N)c(N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)c1 ZINC001187870983 1134396302 /nfs/dbraw/zinc/39/63/02/1134396302.db2.gz IJFKPHMCWUGRFW-JOCQHMNTSA-N -1 3 326.375 3.640 20 30 EHEDHM CC(=NNc1cccc(F)c1[N+](=O)[O-])c1cc(F)cc(F)c1[O-] ZINC000790310289 1134401483 /nfs/dbraw/zinc/40/14/83/1134401483.db2.gz CITHEDPLAMFYBR-UHFFFAOYSA-N -1 3 325.246 3.554 20 30 EHEDHM N#Cc1ccccc1-c1ccc(CNC(=O)c2cccc(O)c2[O-])cc1 ZINC000790917636 1134483197 /nfs/dbraw/zinc/48/31/97/1134483197.db2.gz IKWOLCGXLHWVAH-UHFFFAOYSA-N -1 3 344.370 3.566 20 30 EHEDHM C#Cc1ccccc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001191117025 1134795898 /nfs/dbraw/zinc/79/58/98/1134795898.db2.gz SPCZTLXXPJGKQG-UHFFFAOYSA-N -1 3 336.778 3.505 20 30 EHEDHM N#Cc1cc(NC(=O)c2ccc(Cl)nc2C(F)(F)F)ccc1[O-] ZINC001192477531 1135018625 /nfs/dbraw/zinc/01/86/25/1135018625.db2.gz NXWCWZUAWKEHQO-UHFFFAOYSA-N -1 3 341.676 3.583 20 30 EHEDHM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(C(C)(C)C#N)cc1 ZINC001194637756 1135295412 /nfs/dbraw/zinc/29/54/12/1135295412.db2.gz DEWVKTUAGRQSSA-UHFFFAOYSA-N -1 3 328.437 3.905 20 30 EHEDHM N#Cc1cccc(C(F)(F)F)c1NC(=O)c1cnc(C(F)(F)F)[n-]1 ZINC001194782388 1135314965 /nfs/dbraw/zinc/31/49/65/1135314965.db2.gz QSJZVMVUQSMGBH-UHFFFAOYSA-N -1 3 348.206 3.571 20 30 EHEDHM C[C@@H](CCO)C1(C/N=C/c2cc(Br)ccc2[O-])CCC1 ZINC000775629370 1135348517 /nfs/dbraw/zinc/34/85/17/1135348517.db2.gz FAIQFVKRSOKZLN-NNLQFVHNSA-N -1 3 340.261 3.762 20 30 EHEDHM Cc1coc([N-]C(=O)c2ccnc(Cl)c2C(F)(F)F)c1C#N ZINC001197788567 1135737513 /nfs/dbraw/zinc/73/75/13/1135737513.db2.gz YVPZMJNHOMRRCD-UHFFFAOYSA-N -1 3 329.665 3.779 20 30 EHEDHM COc1cc([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])c(F)cc1C#N ZINC001131493155 1135754053 /nfs/dbraw/zinc/75/40/53/1135754053.db2.gz PWVYBLGKDGGLDX-UHFFFAOYSA-N -1 3 349.705 3.520 20 30 EHEDHM CC(=O)c1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201323484 1136007730 /nfs/dbraw/zinc/00/77/30/1136007730.db2.gz GKVLKSHZZMGQPC-UHFFFAOYSA-N -1 3 348.811 3.524 20 30 EHEDHM COc1cc(C=NNc2cc(F)c(F)c(F)c2)cc(Cl)c1[O-] ZINC000747641934 1136013132 /nfs/dbraw/zinc/01/31/32/1136013132.db2.gz HSULOOSISLPETQ-UHFFFAOYSA-N -1 3 330.693 3.918 20 30 EHEDHM CCOc1ccccc1NC(=O)[N-]c1onc(C(C)(C)C)c1C#N ZINC001202139710 1136099047 /nfs/dbraw/zinc/09/90/47/1136099047.db2.gz XPSPXBQAQQRNLD-UHFFFAOYSA-N -1 3 328.372 3.886 20 30 EHEDHM CCOC(=O)[C@@H](CCOC(C)(C)C)/N=C/c1cc(Cl)ccc1[O-] ZINC000776259052 1136108522 /nfs/dbraw/zinc/10/85/22/1136108522.db2.gz YWPHYVMPWRACLJ-HIPSJFSSSA-N -1 3 341.835 3.601 20 30 EHEDHM CCS(=O)(=O)c1ccc(C/N=C/c2cc(Cl)ccc2[O-])s1 ZINC000794834140 1137271308 /nfs/dbraw/zinc/27/13/08/1137271308.db2.gz RAHYCNWGMKXCBT-LZYBPNLTSA-N -1 3 343.857 3.520 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H]1CCCC12CCCC2 ZINC000845727298 1137307076 /nfs/dbraw/zinc/30/70/76/1137307076.db2.gz FLKVPKJHOHTODO-KRWDZBQOSA-N -1 3 342.439 3.864 20 30 EHEDHM C[C@@H](OCc1ccccc1)C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1 ZINC000845838577 1137314746 /nfs/dbraw/zinc/31/47/46/1137314746.db2.gz FKRDUVBGGCPMFU-VQIMIIECSA-N -1 3 347.414 3.601 20 30 EHEDHM C[C@H](NCc1c(F)cccc1N1CCCC1)c1cccc(C#N)c1[O-] ZINC000866356075 1137348946 /nfs/dbraw/zinc/34/89/46/1137348946.db2.gz AUMHVVVXDVOFHJ-AWEZNQCLSA-N -1 3 339.414 3.854 20 30 EHEDHM C=C(C)CO[N-]C(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000846537981 1137355851 /nfs/dbraw/zinc/35/58/51/1137355851.db2.gz OUBOORQKASUBCE-KGLIPLIRSA-N -1 3 328.437 3.970 20 30 EHEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1cnn(-c2ccccc2)c1 ZINC000794935457 1137366959 /nfs/dbraw/zinc/36/69/59/1137366959.db2.gz RMNQZMJRYALGIC-SOFGYWHQSA-N -1 3 326.302 3.752 20 30 EHEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1ncc(Br)s1 ZINC000794946399 1137375303 /nfs/dbraw/zinc/37/53/03/1137375303.db2.gz NTTXSOLPSOBMGD-IWQZZHSRSA-N -1 3 346.152 3.786 20 30 EHEDHM CCc1cc(NC(=O)c2ccc([O-])c(C(C)=O)c2)cc(CC)c1C#N ZINC001148664106 1137431295 /nfs/dbraw/zinc/43/12/95/1137431295.db2.gz ICADORGCDGPWEV-UHFFFAOYSA-N -1 3 336.391 3.844 20 30 EHEDHM CC(=O)N(Cc1ccc(/N=C/c2cccc([O-])c2O)cc1)C(C)C ZINC000265229731 1138773949 /nfs/dbraw/zinc/77/39/49/1138773949.db2.gz CHBNURFEHJPABD-RGVLZGJSSA-N -1 3 326.396 3.605 20 30 EHEDHM Cc1cc2c(cc1C)C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1)CCO2 ZINC000737285745 598861798 /nfs/dbraw/zinc/86/17/98/598861798.db2.gz ULOCDIZYVQPEQF-LFIBNONCSA-N -1 3 346.390 3.532 20 30 EHEDHM Cc1cc2c(cc1C)C(=O)C(=Cc1ccc(-c3nn[n-]n3)cc1)CCO2 ZINC000737285745 598861800 /nfs/dbraw/zinc/86/18/00/598861800.db2.gz ULOCDIZYVQPEQF-LFIBNONCSA-N -1 3 346.390 3.532 20 30 EHEDHM Fc1ccc([C@H]2CCCC2N=Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737652645 599033732 /nfs/dbraw/zinc/03/37/32/599033732.db2.gz WIHXUOGYINRKBX-MRXNPFEDSA-N -1 3 336.374 3.741 20 30 EHEDHM Fc1ccc([C@H]2CCCC2N=Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737652645 599033734 /nfs/dbraw/zinc/03/37/34/599033734.db2.gz WIHXUOGYINRKBX-MRXNPFEDSA-N -1 3 336.374 3.741 20 30 EHEDHM O=C1C(=Cc2ccc(Cl)s2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823505165 599118161 /nfs/dbraw/zinc/11/81/61/599118161.db2.gz YJHBBVJYCGDWOG-CSKARUKUSA-N -1 3 342.811 3.794 20 30 EHEDHM O=C1C(=Cc2ccc(Cl)s2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823505165 599118163 /nfs/dbraw/zinc/11/81/63/599118163.db2.gz YJHBBVJYCGDWOG-CSKARUKUSA-N -1 3 342.811 3.794 20 30 EHEDHM COc1ccc2ccccc2c1CN[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738079024 600592522 /nfs/dbraw/zinc/59/25/22/600592522.db2.gz LFXOVHGSWFCGEC-FQEVSTJZSA-N -1 3 346.386 3.636 20 30 EHEDHM CSc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821978315 607458246 /nfs/dbraw/zinc/45/82/46/607458246.db2.gz LOZFVWUTFRGAGE-TWGQIWQCSA-N -1 3 340.383 3.624 20 30 EHEDHM CSc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821978315 607458248 /nfs/dbraw/zinc/45/82/48/607458248.db2.gz LOZFVWUTFRGAGE-TWGQIWQCSA-N -1 3 340.383 3.624 20 30 EHEDHM CCCCOc1cccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000829422138 601301175 /nfs/dbraw/zinc/30/11/75/601301175.db2.gz PPCLZCYELHCRHO-IBGZPJMESA-N -1 3 338.407 3.653 20 30 EHEDHM N#CCC[C@H](Nc1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000826381188 607679224 /nfs/dbraw/zinc/67/92/24/607679224.db2.gz ARSWTNYZDWUICO-HNNXBMFYSA-N -1 3 340.337 3.602 20 30 EHEDHM N#CCC[C@H](Nc1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000826381188 607679225 /nfs/dbraw/zinc/67/92/25/607679225.db2.gz ARSWTNYZDWUICO-HNNXBMFYSA-N -1 3 340.337 3.602 20 30 EHEDHM C=CCN(Cc1ccc(OC)cc1)Cc1ccccc1CC(=O)[O-] ZINC000833374236 605065068 /nfs/dbraw/zinc/06/50/68/605065068.db2.gz CYOADLVHKFBTGG-UHFFFAOYSA-N -1 3 325.408 3.511 20 30 EHEDHM C=CCCCC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819733970 606268960 /nfs/dbraw/zinc/26/89/60/606268960.db2.gz GJJXUHRKSBHGRD-UHFFFAOYSA-N -1 3 349.394 3.954 20 30 EHEDHM C=CCCCC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819733970 606268961 /nfs/dbraw/zinc/26/89/61/606268961.db2.gz GJJXUHRKSBHGRD-UHFFFAOYSA-N -1 3 349.394 3.954 20 30 EHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(F)c(Cl)c1 ZINC000822922755 606306640 /nfs/dbraw/zinc/30/66/40/606306640.db2.gz JHJTZBKTQXFPFH-DUXPYHPUSA-N -1 3 334.763 3.617 20 30 EHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(F)c(Cl)c1 ZINC000822922755 606306641 /nfs/dbraw/zinc/30/66/41/606306641.db2.gz JHJTZBKTQXFPFH-DUXPYHPUSA-N -1 3 334.763 3.617 20 30 EHEDHM Cc1cc(-c2nn[n-]n2)ccc1OCc1ccccc1C(C)(C)C#N ZINC000822135499 607132498 /nfs/dbraw/zinc/13/24/98/607132498.db2.gz CKDBSBYDKKAALW-UHFFFAOYSA-N -1 3 333.395 3.555 20 30 EHEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)c(F)c1 ZINC000826400634 608229491 /nfs/dbraw/zinc/22/94/91/608229491.db2.gz DBWALFKILYWBFU-DAXSKMNVSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)c(F)c1 ZINC000826400634 608229492 /nfs/dbraw/zinc/22/94/92/608229492.db2.gz DBWALFKILYWBFU-DAXSKMNVSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)c(F)c1 ZINC000826400477 608229670 /nfs/dbraw/zinc/22/96/70/608229670.db2.gz ZYTMQVFQZSSGSQ-XQRVVYSFSA-N -1 3 346.724 3.694 20 30 EHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)c(F)c1 ZINC000826400477 608229673 /nfs/dbraw/zinc/22/96/73/608229673.db2.gz ZYTMQVFQZSSGSQ-XQRVVYSFSA-N -1 3 346.724 3.694 20 30 EHEDHM Cc1cccc2c1[C@H](C)C(=Cc1ccc(-c3nnn[n-]3)cc1F)C2=O ZINC000826305341 608318882 /nfs/dbraw/zinc/31/88/82/608318882.db2.gz SLJHJOAKADVIBI-SHLUWWQESA-N -1 3 334.354 3.698 20 30 EHEDHM Cc1cccc2c1[C@H](C)C(=Cc1ccc(-c3nn[n-]n3)cc1F)C2=O ZINC000826305341 608318884 /nfs/dbraw/zinc/31/88/84/608318884.db2.gz SLJHJOAKADVIBI-SHLUWWQESA-N -1 3 334.354 3.698 20 30 EHEDHM Clc1ccc(C2CC(N=Nc3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000826351611 609468183 /nfs/dbraw/zinc/46/81/83/609468183.db2.gz SUEROWFIQXGFFR-UHFFFAOYSA-N -1 3 338.802 3.866 20 30 EHEDHM Clc1ccc(C2CC(N=Nc3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000826351611 609468185 /nfs/dbraw/zinc/46/81/85/609468185.db2.gz SUEROWFIQXGFFR-UHFFFAOYSA-N -1 3 338.802 3.866 20 30 EHEDHM Clc1cc(NN=Cc2cccc3cccnc23)ccc1-c1nnn[n-]1 ZINC000826351579 609474033 /nfs/dbraw/zinc/47/40/33/609474033.db2.gz RUWMMOGIGDKHJK-UHFFFAOYSA-N -1 3 349.785 3.514 20 30 EHEDHM Clc1cc(NN=Cc2cccc3cccnc23)ccc1-c1nn[n-]n1 ZINC000826351579 609474035 /nfs/dbraw/zinc/47/40/35/609474035.db2.gz RUWMMOGIGDKHJK-UHFFFAOYSA-N -1 3 349.785 3.514 20 30 EHEDHM C#CCCCNc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000823841409 946491210 /nfs/dbraw/zinc/49/12/10/946491210.db2.gz MUJNYVYBJRGBLR-UHFFFAOYSA-N -1 3 337.358 3.623 20 30 EHEDHM C#CCCCNc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000823841409 946491220 /nfs/dbraw/zinc/49/12/20/946491220.db2.gz MUJNYVYBJRGBLR-UHFFFAOYSA-N -1 3 337.358 3.623 20 30 EHEDHM C=C(CC)C(=O)Nc1ccc(Oc2ccccc2)c(-c2nnn[n-]2)c1 ZINC001573294798 946999362 /nfs/dbraw/zinc/99/93/62/946999362.db2.gz LAMNJQHNNZRVME-UHFFFAOYSA-N -1 3 335.367 3.564 20 30 EHEDHM C=C(CC)C(=O)Nc1ccc(Oc2ccccc2)c(-c2nn[n-]n2)c1 ZINC001573294798 946999367 /nfs/dbraw/zinc/99/93/67/946999367.db2.gz LAMNJQHNNZRVME-UHFFFAOYSA-N -1 3 335.367 3.564 20 30 EHEDHM N#CCOc1cc(F)ccc1NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000183239018 1125481498 /nfs/dbraw/zinc/48/14/98/1125481498.db2.gz SNRPMUIELNTJFF-UHFFFAOYSA-N -1 3 340.354 3.565 20 30 EHEDHM C[C@H](C#N)CSc1ccccc1NC([O-])=NO[C@H]1CCCCO1 ZINC000274750181 1014815087 /nfs/dbraw/zinc/81/50/87/1014815087.db2.gz AMDNABMAYNNRJW-DOMZBBRYSA-N -1 3 335.429 3.518 20 30 EHEDHM C[C@H](C#N)CSc1ccccc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000274750181 1014815098 /nfs/dbraw/zinc/81/50/98/1014815098.db2.gz AMDNABMAYNNRJW-DOMZBBRYSA-N -1 3 335.429 3.518 20 30 EHEDHM CCOc1ccc([N+](=O)[O-])cc1/C=C\C(=O)c1ccc([O-])c(OC)c1 ZINC000254976701 1015301321 /nfs/dbraw/zinc/30/13/21/1015301321.db2.gz MXTHSKQIPBSMMM-ALCCZGGFSA-N -1 3 343.335 3.604 20 30 EHEDHM CSc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC001599820910 988511815 /nfs/dbraw/zinc/51/18/15/988511815.db2.gz HHVIJZOOAUXCKG-PXAZEXFGSA-N -1 3 326.421 3.757 20 30 EHEDHM N#CC(=C([O-])C=Cc1ccc(Cl)s1)c1nnc2n1CCCCC2 ZINC000255029672 1015845243 /nfs/dbraw/zinc/84/52/43/1015845243.db2.gz IJMDUQIYVWDCCM-HWPRWLFBSA-N -1 3 346.843 3.609 20 30 EHEDHM Cc1ncccc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000178317810 1016596774 /nfs/dbraw/zinc/59/67/74/1016596774.db2.gz MKJWCYSVAYXXMA-LBPRGKRZSA-N -1 3 326.306 3.625 20 30 EHEDHM N#Cc1ccc(C(=O)[N-]c2sc3c(c2C#N)CCCCCC3)o1 ZINC000460013049 1032552078 /nfs/dbraw/zinc/55/20/78/1032552078.db2.gz NAFRCSQTTAKPEV-UHFFFAOYSA-N -1 3 325.393 3.996 20 30 EHEDHM O=C(c1ccccc1)N1CCC(/N=C\c2cc(Cl)ccc2[O-])CC1 ZINC000255163774 1018491508 /nfs/dbraw/zinc/49/15/08/1018491508.db2.gz VZGYLCCPGPJDRR-BKUYFWCQSA-N -1 3 342.826 3.769 20 30 EHEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000051266357 1019238080 /nfs/dbraw/zinc/23/80/80/1019238080.db2.gz FBDAXTBOWKDAPP-NTSWFWBYSA-N -1 3 330.232 3.780 20 30 EHEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000051266357 1019238104 /nfs/dbraw/zinc/23/81/04/1019238104.db2.gz FBDAXTBOWKDAPP-NTSWFWBYSA-N -1 3 330.232 3.780 20 30 EHEDHM COc1cc(C(=O)/C=C\c2cccc(OCCCC#N)c2)ccc1[O-] ZINC000255319225 1021078275 /nfs/dbraw/zinc/07/82/75/1021078275.db2.gz RVJHKISIAYCOIG-CLFYSBASSA-N -1 3 337.375 3.979 20 30 EHEDHM COc1cc(OC)cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430629576 1021326479 /nfs/dbraw/zinc/32/64/79/1021326479.db2.gz OUUBUUFXJUKEGI-CQSZACIVSA-N -1 3 344.436 3.948 20 30 EHEDHM CN(CC(C)(C)C#N)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436984966 1021456223 /nfs/dbraw/zinc/45/62/23/1021456223.db2.gz CFKAIRRBJNFYHH-UHFFFAOYSA-N -1 3 336.435 3.799 20 30 EHEDHM N#CC1(CNCc2cc(Cl)cc(Br)c2[O-])CCC1 ZINC000895025291 1022416799 /nfs/dbraw/zinc/41/67/99/1022416799.db2.gz IBDACPHQRWHHQI-UHFFFAOYSA-N -1 3 329.625 3.592 20 30 EHEDHM CO[C@H](C)C(=O)Nc1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000255394808 1022565617 /nfs/dbraw/zinc/56/56/17/1022565617.db2.gz SVRDXNFCCPLRBN-LLVKDONJSA-N -1 3 332.787 3.770 20 30 EHEDHM N#CCCCOc1cccc(CN[C@@H](CC(=O)[O-])c2ccsc2)c1 ZINC000426670885 1022803201 /nfs/dbraw/zinc/80/32/01/1022803201.db2.gz IQIUHVKMYMRIEW-KRWDZBQOSA-N -1 3 344.436 3.736 20 30 EHEDHM N#CC(=C([O-])c1cc(Cl)cc(C(F)(F)F)c1)c1ccncn1 ZINC000426911792 1023112028 /nfs/dbraw/zinc/11/20/28/1023112028.db2.gz NIWZUHZUCTZWHQ-LLVKDONJSA-N -1 3 325.677 3.639 20 30 EHEDHM O=C1[C@@H](/N=C\c2cc(Cl)ccc2[O-])CCCN1Cc1ccccc1 ZINC000255440334 1024418867 /nfs/dbraw/zinc/41/88/67/1024418867.db2.gz TWYHMELLEAKTOT-WCEBZYJUSA-N -1 3 342.826 3.656 20 30 EHEDHM N#CC(=C([O-])c1ccc2cncn2c1)c1nc(-c2ccccc2)cs1 ZINC000342443218 1025520308 /nfs/dbraw/zinc/52/03/08/1025520308.db2.gz CJNKFPPZQGCOPV-MRXNPFEDSA-N -1 3 344.399 3.948 20 30 EHEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(CC)cc1[O-] ZINC000436642116 1025991274 /nfs/dbraw/zinc/99/12/74/1025991274.db2.gz QLPIUWZDVJJLTG-UHFFFAOYSA-N -1 3 341.455 3.951 20 30 EHEDHM COCc1nocc1C(=O)[N-]c1sc2c(c1C#N)[C@@H](C)C[C@H](C)C2 ZINC000425605710 1026024743 /nfs/dbraw/zinc/02/47/43/1026024743.db2.gz LNUUJJRINGIPAK-UWVGGRQHSA-N -1 3 345.424 3.692 20 30 EHEDHM CC(=O)c1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)ccc1C ZINC000192769759 1026341007 /nfs/dbraw/zinc/34/10/07/1026341007.db2.gz YFOSSXDRSQWFGN-MRXNPFEDSA-N -1 3 331.375 3.574 20 30 EHEDHM COc1ccc(Cl)cc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000122730896 1026710674 /nfs/dbraw/zinc/71/06/74/1026710674.db2.gz IFPSGDXTINCFGI-CYBMUJFWSA-N -1 3 339.782 3.725 20 30 EHEDHM COc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1OC(F)F ZINC000048789046 1027718719 /nfs/dbraw/zinc/71/87/19/1027718719.db2.gz WWMFRMVXBRFYOK-SNVBAGLBSA-N -1 3 338.335 3.552 20 30 EHEDHM C=CCC[C@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1ccccc1 ZINC000161772952 1028275346 /nfs/dbraw/zinc/27/53/46/1028275346.db2.gz UUUPDTAINLFPNK-INIZCTEOSA-N -1 3 341.407 3.847 20 30 EHEDHM C=CCC[C@@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1ccccc1 ZINC000161773075 1028275892 /nfs/dbraw/zinc/27/58/92/1028275892.db2.gz UUUPDTAINLFPNK-MRXNPFEDSA-N -1 3 341.407 3.847 20 30 EHEDHM N#Cc1ccc(C/N=C/c2cc(Br)ccc2[O-])c(F)c1 ZINC000729819436 1029563754 /nfs/dbraw/zinc/56/37/54/1029563754.db2.gz KSSURTMQKZBGBK-DJKKODMXSA-N -1 3 333.160 3.785 20 30 EHEDHM Cc1nn(C(F)F)c(C)c1CC(=O)N([O-])Cc1ccccc1Cl ZINC000904188356 1031834733 /nfs/dbraw/zinc/83/47/33/1031834733.db2.gz BXSNFKPBMVZVRF-UHFFFAOYSA-N -1 3 343.761 3.509 20 30 EHEDHM Cc1cc(C(=O)N([O-])Cc2ccccc2Cl)nn1[C@@H](C)C1CC1 ZINC000904190376 1031837083 /nfs/dbraw/zinc/83/70/83/1031837083.db2.gz KYKSEYVPYNJFTQ-LBPRGKRZSA-N -1 3 333.819 3.848 20 30 EHEDHM CCOc1ccc(NC(=O)C/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000063427724 1033318999 /nfs/dbraw/zinc/31/89/99/1033318999.db2.gz VELFIKQWDKDAST-VXLYETTFSA-N -1 3 332.787 3.502 20 30 EHEDHM CC(C)(C)c1ccc(C#N)c(NCc2cc(=O)[n-]c(C3CCC3)n2)n1 ZINC000603415556 1033598922 /nfs/dbraw/zinc/59/89/22/1033598922.db2.gz KVKJNSQNGFDQCH-UHFFFAOYSA-N -1 3 337.427 3.626 20 30 EHEDHM CN(C)[C@@H](C/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000255624618 1033745995 /nfs/dbraw/zinc/74/59/95/1033745995.db2.gz VTFIMEDBVMXOOZ-WSLMLHKMSA-N -1 3 347.802 3.676 20 30 EHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c(Cl)c1 ZINC000169250600 1034126630 /nfs/dbraw/zinc/12/66/30/1034126630.db2.gz WTEZFSVTEPDRGW-UHFFFAOYSA-N -1 3 345.182 3.805 20 30 EHEDHM O=C(Nc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1)[C@@H]1CCCO1 ZINC000255883331 1035406226 /nfs/dbraw/zinc/40/62/26/1035406226.db2.gz QSGABKKHIVOVEZ-KRWDZBQOSA-N -1 3 344.798 3.914 20 30 EHEDHM CCC(CC)c1cc(C(=O)[N-]c2nc3c(cc2C#N)CCCC3)on1 ZINC000122155250 1037332040 /nfs/dbraw/zinc/33/20/40/1037332040.db2.gz ILNCEAIMNKQUOI-UHFFFAOYSA-N -1 3 338.411 3.976 20 30 EHEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cncc(F)c2)cc1 ZINC000151605299 1037448828 /nfs/dbraw/zinc/44/88/28/1037448828.db2.gz ARVJCHKJVWKACM-KRWDZBQOSA-N -1 3 339.370 3.524 20 30 EHEDHM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2cnc3ccsc3c2)c1 ZINC000088547242 1037476766 /nfs/dbraw/zinc/47/67/66/1037476766.db2.gz YFEMFLFONJCUBV-UHFFFAOYSA-N -1 3 349.824 3.622 20 30 EHEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c1 ZINC000160768802 1037582036 /nfs/dbraw/zinc/58/20/36/1037582036.db2.gz UKWGPIQLLSUECG-UHFFFAOYSA-N -1 3 345.182 3.805 20 30 EHEDHM Cc1csc(C(C#N)=C([O-])c2ccc(OC(F)(F)F)cc2)n1 ZINC000041519812 1038117075 /nfs/dbraw/zinc/11/70/75/1038117075.db2.gz JUHFUYGWADGNHU-NSHDSACASA-N -1 3 326.299 3.840 20 30 EHEDHM CCOC(=O)Nc1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cc1 ZINC000041495925 1038782393 /nfs/dbraw/zinc/78/23/93/1038782393.db2.gz KBWXDDWTPOOZOY-AWEZNQCLSA-N -1 3 348.362 3.621 20 30 EHEDHM CC(=O)c1ccc(C(=O)[N-]c2sc3c(c2C#N)C(C)(C)CC3)o1 ZINC000906262290 1039444103 /nfs/dbraw/zinc/44/41/03/1039444103.db2.gz IDHWHFJNSICXKB-UHFFFAOYSA-N -1 3 328.393 3.891 20 30 EHEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000479161341 1040007223 /nfs/dbraw/zinc/00/72/23/1040007223.db2.gz QFXKSNQRCMNWTJ-YGRLFVJLSA-N -1 3 347.267 3.744 20 30 EHEDHM COc1cc(/C=C/C(=O)c2cnn(CC3CCC3)c2)cc(Cl)c1[O-] ZINC000899425276 1040487703 /nfs/dbraw/zinc/48/77/03/1040487703.db2.gz GQDDHLSGKSJSPU-AATRIKPKSA-N -1 3 346.814 3.947 20 30 EHEDHM C=CCNC(=O)Nc1ccc(NC(=O)c2cccc(CC)c2[O-])cc1 ZINC000081728731 1126720454 /nfs/dbraw/zinc/72/04/54/1126720454.db2.gz YYYRTGCHOFKRTP-UHFFFAOYSA-N -1 3 339.395 3.514 20 30 EHEDHM CC[C@@H](C)[C@H]1CCCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000265656127 1127922736 /nfs/dbraw/zinc/92/27/36/1127922736.db2.gz YPKLJGJIUYCWQU-FZKQIMNGSA-N -1 3 343.471 3.636 20 30 EHEDHM C[C@H](C(=O)N([O-])CCCCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001649051894 1128025117 /nfs/dbraw/zinc/02/51/17/1128025117.db2.gz KIWLEEXOPOVPRX-HNNXBMFYSA-N -1 3 342.395 3.939 20 30 EHEDHM CCCCCCN([O-])C(=O)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001649056917 1128057014 /nfs/dbraw/zinc/05/70/14/1128057014.db2.gz LBNJVPVXQXVDPA-LSDHHAIUSA-N -1 3 342.480 3.868 20 30 EHEDHM N#Cc1cccc(Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c1 ZINC000301629020 1128599510 /nfs/dbraw/zinc/59/95/10/1128599510.db2.gz HXWBAYDSWDKSJH-UHFFFAOYSA-N -1 3 345.387 3.544 20 30 EHEDHM COc1ccc(Cn2ccc([N-]c3snc(Cl)c3C#N)n2)cc1 ZINC000302377836 1128631641 /nfs/dbraw/zinc/63/16/41/1128631641.db2.gz GCXBJBCUSDCLDT-UHFFFAOYSA-N -1 3 345.815 3.665 20 30 EHEDHM N#CCn1c(C(=O)Nc2cc(Cl)ccc2[O-])cc2ccccc21 ZINC000609201021 1120553878 /nfs/dbraw/zinc/55/38/78/1120553878.db2.gz RXXLRFTVPJKCBW-UHFFFAOYSA-N -1 3 325.755 3.776 20 30 EHEDHM CC(C)c1ccc2c(c1)C(=N[N-]c1ncccc1C(F)(F)F)C(=O)N2 ZINC000915050441 1121144200 /nfs/dbraw/zinc/14/42/00/1121144200.db2.gz PXDVELXTYPUQPO-UHFFFAOYSA-N -1 3 348.328 3.992 20 30 EHEDHM N#Cc1c([N-]C(=O)c2csc([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000193357436 1121186272 /nfs/dbraw/zinc/18/62/72/1121186272.db2.gz LWTSFAIPXXMMHM-UHFFFAOYSA-N -1 3 333.394 3.721 20 30 EHEDHM CCc1cc(Br)ccc1N=Cc1ccc(O)c([O-])c1O ZINC000763096032 1121678492 /nfs/dbraw/zinc/67/84/92/1121678492.db2.gz GUFDZQOCEXXYDI-UHFFFAOYSA-N -1 3 336.185 3.879 20 30 EHEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)c2cccc(OC(C)C)c2)c1[O-] ZINC000915978428 1122004452 /nfs/dbraw/zinc/00/44/52/1122004452.db2.gz DNBZFYIWGHMLSW-IMRMQAIZSA-N -1 3 328.412 3.555 20 30 EHEDHM CCCC(=O)Nc1ccc([O-])c(C(C)=NNc2ccc(C#N)cc2)c1 ZINC000915961730 1122008284 /nfs/dbraw/zinc/00/82/84/1122008284.db2.gz JJHRXDFRNJVJNQ-UHFFFAOYSA-N -1 3 336.395 3.839 20 30 EHEDHM [O-]c1ccc(Cl)cc1C=NN1C(=S)N=NC1c1ccccc1F ZINC000916319755 1122128004 /nfs/dbraw/zinc/12/80/04/1122128004.db2.gz KTTZAZUSYDLQMD-UHFFFAOYSA-N -1 3 348.790 3.614 20 30 EHEDHM Cc1ncc(CO)c(/C=N\[C@H](C)CC(C)(C)c2ccccc2)c1[O-] ZINC000920991014 1123444917 /nfs/dbraw/zinc/44/49/17/1123444917.db2.gz MXTBZKFQIJHSLO-LQFJMUIISA-N -1 3 326.440 3.763 20 30 EHEDHM Cc1ncc2c(n1)CCC[C@H]2/N=C/c1cc(Br)ccc1[O-] ZINC000734753258 1131272330 /nfs/dbraw/zinc/27/23/30/1131272330.db2.gz QLTMONRCVAKLOG-VLUPQXHSSA-N -1 3 346.228 3.750 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@H](C)c1ccccc1 ZINC000735129158 1131309723 /nfs/dbraw/zinc/30/97/23/1131309723.db2.gz HHZORLGXLYMQPQ-ZDUSSCGKSA-N -1 3 338.407 3.555 20 30 EHEDHM COc1cccc(N2CC[C@H](/N=C\c3cc(Cl)ccc3[O-])C2)c1 ZINC000728174092 1130648201 /nfs/dbraw/zinc/64/82/01/1130648201.db2.gz HJOQIBTWQBKPMI-PFHZTYADSA-N -1 3 330.815 3.752 20 30 EHEDHM COc1cccc(N2CC[C@@H](/N=C/c3cc(Cl)ccc3[O-])C2)c1 ZINC000728174093 1130648241 /nfs/dbraw/zinc/64/82/41/1130648241.db2.gz HJOQIBTWQBKPMI-PZUDMAOCSA-N -1 3 330.815 3.752 20 30 EHEDHM CC(=NNC(=S)Nc1cccc(Cl)c1)c1ccc([O-])cc1F ZINC000729933226 1130655931 /nfs/dbraw/zinc/65/59/31/1130655931.db2.gz ZLJCWQBTJGJAIO-UHFFFAOYSA-N -1 3 337.807 3.895 20 30 EHEDHM COC(=O)Nc1ccc(CCN=Cc2cc(Cl)ccc2[O-])cc1 ZINC000737441231 1131448440 /nfs/dbraw/zinc/44/84/40/1131448440.db2.gz ZGPDGAQLTUCGOC-YBFXNURJSA-N -1 3 332.787 3.886 20 30 EHEDHM Cc1ncc(CO)c(C=Nc2ccc(OC3CCCC3)c(F)c2)c1[O-] ZINC000741842499 1131655439 /nfs/dbraw/zinc/65/54/39/1131655439.db2.gz GKVRRALIQPIYEB-UHFFFAOYSA-N -1 3 344.386 3.799 20 30 EHEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)c2ccc(-c3ccncc3)cc2)c1[O-] ZINC000746392611 1132507424 /nfs/dbraw/zinc/50/74/24/1132507424.db2.gz FAWUKDQRHGGAKE-PUMVZNGMSA-N -1 3 347.418 3.830 20 30 EHEDHM [O-]c1c(O)ccc(C=Nc2cccc(OCc3cccnc3)c2)c1O ZINC000255898201 1132584958 /nfs/dbraw/zinc/58/49/58/1132584958.db2.gz OOCQNXFXPVMPNU-UHFFFAOYSA-N -1 3 336.347 3.528 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC1CCC(C)(C)CC1 ZINC000766532044 1132598315 /nfs/dbraw/zinc/59/83/15/1132598315.db2.gz VHJRXYKGTFVNEZ-UHFFFAOYSA-N -1 3 344.455 3.968 20 30 EHEDHM C=CC(C)(C)CCCNC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001177118787 1133029362 /nfs/dbraw/zinc/02/93/62/1133029362.db2.gz QORXDTHBRUZCRC-UHFFFAOYSA-N -1 3 334.366 3.529 20 30 EHEDHM N#C[C@H](Cc1ccc(F)cc1F)OC(=O)c1cc2ccsc2[n-]1 ZINC000774316586 1133659687 /nfs/dbraw/zinc/65/96/87/1133659687.db2.gz JWBWTGBSOJUDQC-LBPRGKRZSA-N -1 3 332.331 3.799 20 30 EHEDHM O=C([C@@H]1CCO[C@H]1C1CC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001184235889 1133913832 /nfs/dbraw/zinc/91/38/32/1133913832.db2.gz OUXHGUYRRJAETL-KGLIPLIRSA-N -1 3 330.211 3.526 20 30 EHEDHM CCc1cccc(OCC(=O)N([O-])CCCCc2ccccc2)c1 ZINC001184293361 1133925067 /nfs/dbraw/zinc/92/50/67/1133925067.db2.gz PUPZNYHMBSDWED-UHFFFAOYSA-N -1 3 327.424 3.869 20 30 EHEDHM C[C@H](C#N)Oc1ccccc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787254347 1133979325 /nfs/dbraw/zinc/97/93/25/1133979325.db2.gz VJPFERGLVXPIDN-CYBMUJFWSA-N -1 3 342.370 3.784 20 30 EHEDHM Cc1ccc(N2CCNC2=O)cc1N=Cc1cc(Cl)ccc1[O-] ZINC000775236056 1134572272 /nfs/dbraw/zinc/57/22/72/1134572272.db2.gz XMFVZWDYZAXVRX-UHFFFAOYSA-N -1 3 329.787 3.634 20 30 EHEDHM Cc1ccc([O-])c(NC(=O)c2cc(F)c(Cl)c(C#N)c2Cl)n1 ZINC001189826298 1134630391 /nfs/dbraw/zinc/63/03/91/1134630391.db2.gz ZOYPHFFENYMIRH-UHFFFAOYSA-N -1 3 340.141 3.666 20 30 EHEDHM O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@@H](c2cccs2)N2CCCC2)c1 ZINC000005293046 1134920600 /nfs/dbraw/zinc/92/06/00/1134920600.db2.gz AEGKCGZQKSIRKB-LZNAANCOSA-N -1 3 345.424 3.618 20 30 EHEDHM N#CC1([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)CCCCCC1 ZINC001191913932 1134946481 /nfs/dbraw/zinc/94/64/81/1134946481.db2.gz PXFGLAJFTOYYBF-UHFFFAOYSA-N -1 3 344.839 3.515 20 30 EHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)OC2CCCCC2)c(C)c1[O-] ZINC001193632233 1135162345 /nfs/dbraw/zinc/16/23/45/1135162345.db2.gz FFNICIUNYSMASW-UHFFFAOYSA-N -1 3 346.383 3.630 20 30 EHEDHM Cc1nc(-c2ccc(C)cc2)c(C(=O)[N-]c2onc(C)c2C#N)s1 ZINC001193885229 1135193626 /nfs/dbraw/zinc/19/36/26/1135193626.db2.gz OGVDYFUIRGWGJV-UHFFFAOYSA-N -1 3 338.392 3.847 20 30 EHEDHM N=C(c1ccccc1N)N([O-])C(=O)c1sccc1-c1ccccc1 ZINC001195719623 1135459703 /nfs/dbraw/zinc/45/97/03/1135459703.db2.gz XYJSENYFWJXGQY-UHFFFAOYSA-N -1 3 337.404 3.854 20 30 EHEDHM CC(C)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)nc1 ZINC000810529473 1135970422 /nfs/dbraw/zinc/97/04/22/1135970422.db2.gz HOWGQQFRLZMWQA-ZDUSSCGKSA-N -1 3 341.798 3.820 20 30 EHEDHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)cc1C(C)C ZINC001201320227 1136007163 /nfs/dbraw/zinc/00/71/63/1136007163.db2.gz SDDXRQQCYHDQIW-UHFFFAOYSA-N -1 3 344.436 3.800 20 30 EHEDHM N#Cc1cc([N-]C(=O)c2cccc(Cl)c2[N+](=O)[O-])c(F)cc1F ZINC001132690310 1136060579 /nfs/dbraw/zinc/06/05/79/1136060579.db2.gz WSULCSHHZXDZGT-UHFFFAOYSA-N -1 3 337.669 3.650 20 30 EHEDHM CCOC(=O)[C@H](CCOC(C)(C)C)/N=C/c1cc(Cl)ccc1[O-] ZINC000776259054 1136108717 /nfs/dbraw/zinc/10/87/17/1136108717.db2.gz YWPHYVMPWRACLJ-YRIIZNAFSA-N -1 3 341.835 3.601 20 30 EHEDHM Cc1ncc(CO)c(/C=N\[C@H](C)c2ccc(-c3cccnc3)cc2)c1[O-] ZINC000747865375 1136353191 /nfs/dbraw/zinc/35/31/91/1136353191.db2.gz ZTKUSNUIMXRHTI-KPQXCZDLSA-N -1 3 347.418 3.830 20 30 EHEDHM CO[C@@H](C/N=C\c1cc(Br)ccc1[O-])C1CCCC1 ZINC000852998184 1136496126 /nfs/dbraw/zinc/49/61/26/1136496126.db2.gz IDHWSXDFFRFUQO-MBBOSUJBSA-N -1 3 326.234 3.779 20 30 EHEDHM C=CCCO[N-]C(=O)C[C@@H](C)c1ccc(F)c(Br)c1 ZINC000856035480 1136751142 /nfs/dbraw/zinc/75/11/42/1136751142.db2.gz ANAQYXBPFLBOIX-SNVBAGLBSA-N -1 3 330.197 3.706 20 30 EHEDHM COCCCC[C@@H](/N=C/c1c([O-])c(C)ncc1CO)c1ccccc1 ZINC000794831402 1137268307 /nfs/dbraw/zinc/26/83/07/1137268307.db2.gz AFPVGEANJZUOKK-PPRFWAEMSA-N -1 3 342.439 3.565 20 30 EHEDHM N#Cc1cccc(C2CCN(Cc3c(F)cc([O-])cc3F)CC2)c1 ZINC001144555101 1137308830 /nfs/dbraw/zinc/30/88/30/1137308830.db2.gz VNMGRJNJSNPXIU-UHFFFAOYSA-N -1 3 328.362 3.922 20 30 EHEDHM N#CC(C(=O)C=Cc1ccco1)=C([O-])c1cc2c(s1)CCCC2 ZINC000845835810 1137314397 /nfs/dbraw/zinc/31/43/97/1137314397.db2.gz FHRCPGHLKPHFMS-WBTMPAOCSA-N -1 3 325.389 3.825 20 30 EHEDHM N#CC(C(=O)c1cc2c(s1)CCCC2)=C([O-])C=Cc1ccco1 ZINC000845835810 1137314399 /nfs/dbraw/zinc/31/43/99/1137314399.db2.gz FHRCPGHLKPHFMS-WBTMPAOCSA-N -1 3 325.389 3.825 20 30 EHEDHM C=C[C@H](C)O[N-]C(=O)C[C@@H](C)c1ccc(F)c(Br)c1 ZINC000846552515 1137355401 /nfs/dbraw/zinc/35/54/01/1137355401.db2.gz JGTXDTCIBQJDRG-ZJUUUORDSA-N -1 3 330.197 3.704 20 30 EHEDHM C=C(C)CO[N-]C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000846536616 1137355571 /nfs/dbraw/zinc/35/55/71/1137355571.db2.gz SNXJVTYBELTUDK-UHFFFAOYSA-N -1 3 330.211 3.970 20 30 EHEDHM Cc1ccc(C(=O)N2CCC(Cc3ccc(C#N)cc3)CC2)c([O-])c1 ZINC001148504120 1137427078 /nfs/dbraw/zinc/42/70/78/1137427078.db2.gz HQUNYYAKFNELOA-UHFFFAOYSA-N -1 3 334.419 3.667 20 30 EHEDHM CCOc1cc(/C=C2\c3ccc(C#N)cc3NC2=O)cc(Cl)c1[O-] ZINC000773161589 1137471598 /nfs/dbraw/zinc/47/15/98/1137471598.db2.gz RBPXKWGBLACIIR-WLRTZDKTSA-N -1 3 340.766 3.809 20 30 EHEDHM CC(=O)Nc1ccc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)cc1 ZINC000213219546 1137836057 /nfs/dbraw/zinc/83/60/57/1137836057.db2.gz MSMPJJRJGDEEQP-AHEVQNHNSA-N -1 3 325.339 3.873 20 30 EHEDHM COC(=O)c1ccc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)cc1 ZINC000213220665 1137836118 /nfs/dbraw/zinc/83/61/18/1137836118.db2.gz KYIGSDKCHVOIHQ-QQMDNXKGSA-N -1 3 326.323 3.701 20 30 EHEDHM C[C@@H](CCc1ccccc1F)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000079720822 1138157812 /nfs/dbraw/zinc/15/78/12/1138157812.db2.gz OFZPXKVYAQUFBD-QMMMGPOBSA-N -1 3 330.285 3.820 20 30 EHEDHM C[C@@H](CCc1ccccc1F)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000079720822 1138157813 /nfs/dbraw/zinc/15/78/13/1138157813.db2.gz OFZPXKVYAQUFBD-QMMMGPOBSA-N -1 3 330.285 3.820 20 30 EHEDHM CCCCCC(C)(C)CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000087402818 1138190930 /nfs/dbraw/zinc/19/09/30/1138190930.db2.gz PODMUXJLJLJOPC-UHFFFAOYSA-N -1 3 345.487 3.519 20 30 EHEDHM Cc1ncc(CO)c(/C=N/CCCCCc2ccc(F)cc2)c1[O-] ZINC000777402713 1140079993 /nfs/dbraw/zinc/07/99/93/1140079993.db2.gz MZIOWCYAJOQUHK-CIAFOILYSA-N -1 3 330.403 3.559 20 30 EHEDHM Cc1cc(F)ccc1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC000822205686 599113721 /nfs/dbraw/zinc/11/37/21/599113721.db2.gz FBPVRHRPTIOTKM-NTEUORMPSA-N -1 3 334.354 3.527 20 30 EHEDHM Cc1cc(F)ccc1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC000822205686 599113725 /nfs/dbraw/zinc/11/37/25/599113725.db2.gz FBPVRHRPTIOTKM-NTEUORMPSA-N -1 3 334.354 3.527 20 30 EHEDHM COc1ccc(C=CC(=O)c2cc3ccccc3o2)cc1-c1nnn[n-]1 ZINC000737082600 599151102 /nfs/dbraw/zinc/15/11/02/599151102.db2.gz XUROUPXBLYMHNL-SOFGYWHQSA-N -1 3 346.346 3.518 20 30 EHEDHM COc1ccc(C=CC(=O)c2cc3ccccc3o2)cc1-c1nn[n-]n1 ZINC000737082600 599151104 /nfs/dbraw/zinc/15/11/04/599151104.db2.gz XUROUPXBLYMHNL-SOFGYWHQSA-N -1 3 346.346 3.518 20 30 EHEDHM CC1(C)c2ccccc2C(=O)C1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000820577669 607459522 /nfs/dbraw/zinc/45/95/22/607459522.db2.gz TWRLMZBDKNXFMF-OQLLNIDSSA-N -1 3 334.354 3.563 20 30 EHEDHM CC1(C)c2ccccc2C(=O)C1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000820577669 607459523 /nfs/dbraw/zinc/45/95/23/607459523.db2.gz TWRLMZBDKNXFMF-OQLLNIDSSA-N -1 3 334.354 3.563 20 30 EHEDHM Fc1cc(-c2nnn[n-]2)ccc1C=NNc1cccc2ccccc21 ZINC000822739935 607464840 /nfs/dbraw/zinc/46/48/40/607464840.db2.gz FICVYSLKDUDXTK-UHFFFAOYSA-N -1 3 332.342 3.605 20 30 EHEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NNc1cccc2ccccc21 ZINC000822739935 607464842 /nfs/dbraw/zinc/46/48/42/607464842.db2.gz FICVYSLKDUDXTK-UHFFFAOYSA-N -1 3 332.342 3.605 20 30 EHEDHM C=CCC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1C)c1ccccc1 ZINC000823893899 607710092 /nfs/dbraw/zinc/71/00/92/607710092.db2.gz ARVXQZOIHCGLPM-GOSISDBHSA-N -1 3 347.422 3.612 20 30 EHEDHM C=CCC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1C)c1ccccc1 ZINC000823893899 607710095 /nfs/dbraw/zinc/71/00/95/607710095.db2.gz ARVXQZOIHCGLPM-GOSISDBHSA-N -1 3 347.422 3.612 20 30 EHEDHM CC(C)Oc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000820155333 606388909 /nfs/dbraw/zinc/38/89/09/606388909.db2.gz OQFOIQKPWGMZLS-CLFYSBASSA-N -1 3 340.408 3.612 20 30 EHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ccc2cc(O)ccc2c1 ZINC000822922068 606392961 /nfs/dbraw/zinc/39/29/61/606392961.db2.gz CIACWRQXZSBVLC-KMKOMSMNSA-N -1 3 342.358 3.622 20 30 EHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1ccc2cc(O)ccc2c1 ZINC000822922068 606392963 /nfs/dbraw/zinc/39/29/63/606392963.db2.gz CIACWRQXZSBVLC-KMKOMSMNSA-N -1 3 342.358 3.622 20 30 EHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(CC)(CC)CC ZINC000819743522 606717327 /nfs/dbraw/zinc/71/73/27/606717327.db2.gz KYTPTNBYWOOSIC-UHFFFAOYSA-N -1 3 341.459 3.598 20 30 EHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(CC)(CC)CC ZINC000819743522 606717329 /nfs/dbraw/zinc/71/73/29/606717329.db2.gz KYTPTNBYWOOSIC-UHFFFAOYSA-N -1 3 341.459 3.598 20 30 EHEDHM O=C(C=Cc1cccc(Cl)c1F)c1cccc(-c2nnn[n-]2)c1 ZINC000822930044 607111761 /nfs/dbraw/zinc/11/17/61/607111761.db2.gz XUZCJLNDLALDQL-BQYQJAHWSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1cccc(Cl)c1F)c1cccc(-c2nn[n-]n2)c1 ZINC000822930044 607111762 /nfs/dbraw/zinc/11/17/62/607111762.db2.gz XUZCJLNDLALDQL-BQYQJAHWSA-N -1 3 328.734 3.555 20 30 EHEDHM CCc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC000825704681 608876481 /nfs/dbraw/zinc/87/64/81/608876481.db2.gz MWQBIYDGBSVTCM-DAXSKMNVSA-N -1 3 328.372 3.526 20 30 EHEDHM CCc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000825704681 608876484 /nfs/dbraw/zinc/87/64/84/608876484.db2.gz MWQBIYDGBSVTCM-DAXSKMNVSA-N -1 3 328.372 3.526 20 30 EHEDHM O=C(C=Cc1c(F)cccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000826400448 948217202 /nfs/dbraw/zinc/21/72/02/948217202.db2.gz ZHBHRLDKAWJYPT-BQYQJAHWSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1c(F)cccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000826400448 948217212 /nfs/dbraw/zinc/21/72/12/948217212.db2.gz ZHBHRLDKAWJYPT-BQYQJAHWSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1ccccc1C1CC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826402377 948224395 /nfs/dbraw/zinc/22/43/95/948224395.db2.gz SAYZSSCDUMWSCV-NTMALXAHSA-N -1 3 334.354 3.779 20 30 EHEDHM O=C(C=Cc1ccccc1C1CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826402377 948224406 /nfs/dbraw/zinc/22/44/06/948224406.db2.gz SAYZSSCDUMWSCV-NTMALXAHSA-N -1 3 334.354 3.779 20 30 EHEDHM N#CC(=C([O-])c1ccc(C(F)F)cc1F)c1nnc2n1CCCCC2 ZINC000654972092 1014699450 /nfs/dbraw/zinc/69/94/50/1014699450.db2.gz BERLYJAUBCWQQV-LBPRGKRZSA-N -1 3 348.328 3.571 20 30 EHEDHM C=CCOc1ccc(CN[C@H](CC(=O)[O-])c2ccc(OC)cc2)cc1 ZINC000683171830 1014723488 /nfs/dbraw/zinc/72/34/88/1014723488.db2.gz QIEYLEQBNAAMPQ-LJQANCHMSA-N -1 3 341.407 3.566 20 30 EHEDHM COc1cc(N=Cc2cc(Cl)ccc2[O-])ccc1N1CCCC1=O ZINC000255001622 1015476010 /nfs/dbraw/zinc/47/60/10/1015476010.db2.gz XKPQEWPIQUJORW-UHFFFAOYSA-N -1 3 344.798 3.932 20 30 EHEDHM O=C1Nc2cc([O-])ccc2C1=NNCc1ccc(-c2ccccc2)cc1 ZINC000748085402 1015526551 /nfs/dbraw/zinc/52/65/51/1015526551.db2.gz FWBYEABFVRONHO-UHFFFAOYSA-N -1 3 343.386 3.505 20 30 EHEDHM COCc1ncsc1C(=O)[N-]c1ccccc1S[C@H](C)CC#N ZINC000339935123 1015989612 /nfs/dbraw/zinc/98/96/12/1015989612.db2.gz MJSBBUDIWMUHSI-LLVKDONJSA-N -1 3 347.465 3.936 20 30 EHEDHM N#Cc1cc(F)cc(-c2noc(C=C([O-])c3ccccc3Cl)n2)c1 ZINC001211647432 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EHEDHM COCC(CC1CCOCC1)N=Nc1nc2ccccc2[n-]c1=S ZINC000863125588 1137170909 /nfs/dbraw/zinc/17/09/09/1137170909.db2.gz ZZEKMGYKGXEDDX-UHFFFAOYSA-N -1 3 346.456 3.523 20 30 EHEDHM O=C(Nc1cc(C(F)(F)F)ccc1F)c1[n-]cnc1C(F)(F)F ZINC001143891776 1137208837 /nfs/dbraw/zinc/20/88/37/1137208837.db2.gz TVJAWHDGOWHLJI-UHFFFAOYSA-N -1 3 341.186 3.839 20 30 EHEDHM O=C(Nc1cc(C(F)(F)F)ccc1F)c1nc[n-]c1C(F)(F)F ZINC001143891776 1137208839 /nfs/dbraw/zinc/20/88/39/1137208839.db2.gz TVJAWHDGOWHLJI-UHFFFAOYSA-N -1 3 341.186 3.839 20 30 EHEDHM COc1cc(C=NNCc2ccccc2Cl)cc(Cl)c1[O-] ZINC000864028886 1137212436 /nfs/dbraw/zinc/21/24/36/1137212436.db2.gz LGAKSEKGXCJIBS-UHFFFAOYSA-N -1 3 325.195 3.831 20 30 EHEDHM Cc1c(N=NC2CCN(Cc3ccccc3)[C@@H]2C)cccc1C(=O)[O-] ZINC000844623633 1137240591 /nfs/dbraw/zinc/24/05/91/1137240591.db2.gz OVWCRRCEJAWSFT-OAHLLOKOSA-N -1 3 337.423 3.756 20 30 EHEDHM COc1cc(F)c(C(=O)/C=C/c2c(F)ccc([O-])c2F)cc1OC ZINC000794941515 1137373104 /nfs/dbraw/zinc/37/31/04/1137373104.db2.gz QEEMUJCGJBICSI-HWKANZROSA-N -1 3 338.281 3.723 20 30 EHEDHM COc1cc(NC(C)=O)ccc1C(=O)/C=C/c1c(F)ccc([O-])c1F ZINC000794945338 1137375020 /nfs/dbraw/zinc/37/50/20/1137375020.db2.gz IBWLPPNEYRFFOB-FNORWQNLSA-N -1 3 347.317 3.534 20 30 EHEDHM CCOc1cc(C=NNCc2ccccc2N(C)C)cc(Cl)c1[O-] ZINC000794949596 1137377347 /nfs/dbraw/zinc/37/73/47/1137377347.db2.gz QKXWHJUDIUKGHR-UHFFFAOYSA-N -1 3 347.846 3.634 20 30 EHEDHM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000079720823 1138157935 /nfs/dbraw/zinc/15/79/35/1138157935.db2.gz GMKOMEOTBGSOQL-QMMMGPOBSA-N -1 3 330.285 3.820 20 30 EHEDHM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000079720823 1138157937 /nfs/dbraw/zinc/15/79/37/1138157937.db2.gz GMKOMEOTBGSOQL-QMMMGPOBSA-N -1 3 330.285 3.820 20 30 EHEDHM [O-]c1ccc(Cl)cc1/C=N/CC[C@H]1CCC2(CCOCC2)CO1 ZINC000887270458 1138252312 /nfs/dbraw/zinc/25/23/12/1138252312.db2.gz NTYPTEPEEMLZEQ-DDLUMYACSA-N -1 3 337.847 3.830 20 30 EHEDHM O=C(NCCc1nc(C2CCCCC2)cs1)c1csc(=O)[n-]1 ZINC000329954429 564006116 /nfs/dbraw/zinc/00/61/16/564006116.db2.gz OIHGYPCKWJTROQ-UHFFFAOYSA-N -1 3 337.470 3.900 20 30 EHEDHM C=CCCNc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000735412934 598978864 /nfs/dbraw/zinc/97/88/64/598978864.db2.gz NCFWUNZTWBIVPD-UHFFFAOYSA-N -1 3 339.374 3.573 20 30 EHEDHM C=CCCNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000735412934 598978866 /nfs/dbraw/zinc/97/88/66/598978866.db2.gz NCFWUNZTWBIVPD-UHFFFAOYSA-N -1 3 339.374 3.573 20 30 EHEDHM CCN(Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C[C@@H](C)C#N ZINC000736554708 598760632 /nfs/dbraw/zinc/76/06/32/598760632.db2.gz BGPGDOJCDTYABQ-HNNXBMFYSA-N -1 3 346.438 3.515 20 30 EHEDHM CCN(Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C[C@@H](C)C#N ZINC000736554708 598760633 /nfs/dbraw/zinc/76/06/33/598760633.db2.gz BGPGDOJCDTYABQ-HNNXBMFYSA-N -1 3 346.438 3.515 20 30 EHEDHM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(F)c(Cl)c1 ZINC000827717349 601301923 /nfs/dbraw/zinc/30/19/23/601301923.db2.gz GTAYJGHKLYZIRI-MGPLVRAMSA-N -1 3 332.762 3.827 20 30 EHEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1ccc2cc(O)ccc2c1 ZINC000822929188 606393001 /nfs/dbraw/zinc/39/30/01/606393001.db2.gz RAVRTXJNZHYUOA-RUDMXATFSA-N -1 3 342.358 3.622 20 30 EHEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1ccc2cc(O)ccc2c1 ZINC000822929188 606393003 /nfs/dbraw/zinc/39/30/03/606393003.db2.gz RAVRTXJNZHYUOA-RUDMXATFSA-N -1 3 342.358 3.622 20 30 EHEDHM N#Cc1ccc(SCc2ccc(-c3nnn[n-]3)cc2F)c(Cl)c1 ZINC000822832516 606854386 /nfs/dbraw/zinc/85/43/86/606854386.db2.gz CAMGDWRKKFBSNP-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM N#Cc1ccc(SCc2ccc(-c3nn[n-]n3)cc2F)c(Cl)c1 ZINC000822832516 606854387 /nfs/dbraw/zinc/85/43/87/606854387.db2.gz CAMGDWRKKFBSNP-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM O=C(C=Cc1ccc(F)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000822930059 607123109 /nfs/dbraw/zinc/12/31/09/607123109.db2.gz XYSJZJIWDHWYPH-VURMDHGXSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1ccc(F)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000822930059 607123110 /nfs/dbraw/zinc/12/31/10/607123110.db2.gz XYSJZJIWDHWYPH-VURMDHGXSA-N -1 3 328.734 3.555 20 30 EHEDHM Cc1c2ccccc2oc1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826234040 607884138 /nfs/dbraw/zinc/88/41/38/607884138.db2.gz FSVIAYDLJTVVGK-ZHACJKMWSA-N -1 3 330.347 3.817 20 30 EHEDHM Cc1c2ccccc2oc1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826234040 607884139 /nfs/dbraw/zinc/88/41/39/607884139.db2.gz FSVIAYDLJTVVGK-ZHACJKMWSA-N -1 3 330.347 3.817 20 30 EHEDHM Cc1oc2ccccc2c1C=CC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826342695 607982068 /nfs/dbraw/zinc/98/20/68/607982068.db2.gz WIHPOUWXSKLITP-MDZDMXLPSA-N -1 3 330.347 3.817 20 30 EHEDHM Cc1oc2ccccc2c1C=CC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826342695 607982069 /nfs/dbraw/zinc/98/20/69/607982069.db2.gz WIHPOUWXSKLITP-MDZDMXLPSA-N -1 3 330.347 3.817 20 30 EHEDHM CC(=NNc1cccc2c1CCCC2)c1ccc(-c2nnn[n-]2)s1 ZINC000823962362 608094678 /nfs/dbraw/zinc/09/46/78/608094678.db2.gz JIBJSKAFIFZXDB-UHFFFAOYSA-N -1 3 338.440 3.643 20 30 EHEDHM Cc1cccc2c1[C@@H](C)C(=Cc1ccc(-c3nnn[n-]3)cc1F)C2=O ZINC000826305342 608319028 /nfs/dbraw/zinc/31/90/28/608319028.db2.gz SLJHJOAKADVIBI-UXYFDLPDSA-N -1 3 334.354 3.698 20 30 EHEDHM Cc1cccc2c1[C@@H](C)C(=Cc1ccc(-c3nn[n-]n3)cc1F)C2=O ZINC000826305342 608319030 /nfs/dbraw/zinc/31/90/30/608319030.db2.gz SLJHJOAKADVIBI-UXYFDLPDSA-N -1 3 334.354 3.698 20 30 EHEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCc2cccc3ccccc32)n1 ZINC000826350272 608536711 /nfs/dbraw/zinc/53/67/11/608536711.db2.gz OUXXUHIXJBGLHH-UHFFFAOYSA-N -1 3 349.785 3.514 20 30 EHEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2cccc3ccccc32)n1 ZINC000826350272 608536712 /nfs/dbraw/zinc/53/67/12/608536712.db2.gz OUXXUHIXJBGLHH-UHFFFAOYSA-N -1 3 349.785 3.514 20 30 EHEDHM N#CC1(c2ccccc2)CCC(Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826380725 608872234 /nfs/dbraw/zinc/87/22/34/608872234.db2.gz KQJHAKQYAWMTOZ-UHFFFAOYSA-N -1 3 344.422 3.683 20 30 EHEDHM N#CC1(c2ccccc2)CCC(Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826380725 608872235 /nfs/dbraw/zinc/87/22/35/608872235.db2.gz KQJHAKQYAWMTOZ-UHFFFAOYSA-N -1 3 344.422 3.683 20 30 EHEDHM CC(C)(C#N)CCOc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000824058844 609282512 /nfs/dbraw/zinc/28/25/12/609282512.db2.gz FEWXXSCUYLUDHS-UHFFFAOYSA-N -1 3 333.395 3.852 20 30 EHEDHM CC(C)(C#N)CCOc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000824058844 609282514 /nfs/dbraw/zinc/28/25/14/609282514.db2.gz FEWXXSCUYLUDHS-UHFFFAOYSA-N -1 3 333.395 3.852 20 30 EHEDHM Clc1cc(NN=Cc2ccnc3ccccc23)ccc1-c1nnn[n-]1 ZINC000826351272 609471585 /nfs/dbraw/zinc/47/15/85/609471585.db2.gz GBWCXZRFEHHZRP-UHFFFAOYSA-N -1 3 349.785 3.514 20 30 EHEDHM Clc1cc(NN=Cc2ccnc3ccccc23)ccc1-c1nn[n-]n1 ZINC000826351272 609471586 /nfs/dbraw/zinc/47/15/86/609471586.db2.gz GBWCXZRFEHHZRP-UHFFFAOYSA-N -1 3 349.785 3.514 20 30 EHEDHM C=C[C@H](CC)CC(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1 ZINC001573314376 947232661 /nfs/dbraw/zinc/23/26/61/947232661.db2.gz BOFFTRMPHOUZKU-SNVBAGLBSA-N -1 3 333.461 3.767 20 30 EHEDHM C=C[C@H](CC)CC(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1 ZINC001573314376 947232668 /nfs/dbraw/zinc/23/26/68/947232668.db2.gz BOFFTRMPHOUZKU-SNVBAGLBSA-N -1 3 333.461 3.767 20 30 EHEDHM CCSc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000825674772 947286171 /nfs/dbraw/zinc/28/61/71/947286171.db2.gz RRLVDHFQNFRYAV-XFXZXTDPSA-N -1 3 336.420 3.875 20 30 EHEDHM CCSc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000825674772 947286181 /nfs/dbraw/zinc/28/61/81/947286181.db2.gz RRLVDHFQNFRYAV-XFXZXTDPSA-N -1 3 336.420 3.875 20 30 EHEDHM CSc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1F ZINC000826230292 947673978 /nfs/dbraw/zinc/67/39/78/947673978.db2.gz MSQVANZXQXTIAU-SOFGYWHQSA-N -1 3 340.383 3.624 20 30 EHEDHM CSc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1F ZINC000826230292 947673987 /nfs/dbraw/zinc/67/39/87/947673987.db2.gz MSQVANZXQXTIAU-SOFGYWHQSA-N -1 3 340.383 3.624 20 30 EHEDHM N#Cc1c(Cl)cccc1SCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826383064 948178902 /nfs/dbraw/zinc/17/89/02/948178902.db2.gz IROMMZIBMOAFLH-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM N#Cc1c(Cl)cccc1SCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826383064 948178908 /nfs/dbraw/zinc/17/89/08/948178908.db2.gz IROMMZIBMOAFLH-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM C=CCOc1ccc(CNCc2ccccc2CC(=O)[O-])cc1Cl ZINC000426708613 974044788 /nfs/dbraw/zinc/04/47/88/974044788.db2.gz LHHIONUDUYFWNX-UHFFFAOYSA-N -1 3 345.826 3.822 20 30 EHEDHM C[C@](Cc1ccc(F)cc1)(NCc1ccc(Cl)cc1C#N)C(=O)[O-] ZINC001592854107 979648804 /nfs/dbraw/zinc/64/88/04/979648804.db2.gz LTKFNKBRNJNWMQ-GOSISDBHSA-N -1 3 346.789 3.526 20 30 EHEDHM C=C(C)CN(Cc1ccccc1)Cc1ccc(OCC(=O)[O-])cc1 ZINC001588567574 983647386 /nfs/dbraw/zinc/64/73/86/983647386.db2.gz NNHOOERSBFLFPK-UHFFFAOYSA-N -1 3 325.408 3.728 20 30 EHEDHM COc1ccc(/C=C\C(=O)c2ccc([O-])c(C)c2)c(OC)c1OC ZINC000728230204 1016260989 /nfs/dbraw/zinc/26/09/89/1016260989.db2.gz BJLIVBNOONYRJU-UITAMQMPSA-N -1 3 328.364 3.623 20 30 EHEDHM N#Cc1ccc(F)c(-c2noc(C=C([O-])c3ccccc3Cl)n2)c1 ZINC001211645243 1016683221 /nfs/dbraw/zinc/68/32/21/1016683221.db2.gz QPUCICDXMAUNFE-UHFFFAOYSA-N -1 3 341.729 3.826 20 30 EHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cnc(C(C)C)nc3C)nc21 ZINC000892702061 1016912846 /nfs/dbraw/zinc/91/28/46/1016912846.db2.gz ASHIRBMACTWYNQ-CYBMUJFWSA-N -1 3 333.395 3.583 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(c1ccccc1)[C@H]1C[C@@H]1C ZINC000415885748 1018625513 /nfs/dbraw/zinc/62/55/13/1018625513.db2.gz CWCRACFANUJXHC-DJJJIMSYSA-N -1 3 349.434 3.650 20 30 EHEDHM CCOCc1cc(/C=C/C(=O)c2ccc([O-])c(OC)c2)ccc1OC ZINC000050234375 1019384547 /nfs/dbraw/zinc/38/45/47/1019384547.db2.gz AQSSPGZULDHJFS-VMPITWQZSA-N -1 3 342.391 3.842 20 30 EHEDHM N#Cc1ccc(CCC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)cc1 ZINC000160674602 1020185595 /nfs/dbraw/zinc/18/55/95/1020185595.db2.gz KFTVURQQDUSSPF-UHFFFAOYSA-N -1 3 348.324 3.758 20 30 EHEDHM CCN(CC)[C@@H](C/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccsc1 ZINC000255367626 1021570761 /nfs/dbraw/zinc/57/07/61/1021570761.db2.gz LOHCYDAPTCUBMX-PMFHANACSA-N -1 3 347.440 3.864 20 30 EHEDHM C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000471897685 1023040480 /nfs/dbraw/zinc/04/04/80/1023040480.db2.gz SSYMSTWKVYBFEJ-UHFFFAOYSA-N -1 3 328.387 3.819 20 30 EHEDHM CCCC[C@H](/N=C/c1c([O-])c(C)ncc1CO)c1ccc(OC)cc1 ZINC000728438104 1024447722 /nfs/dbraw/zinc/44/77/22/1024447722.db2.gz PAZPEJNLASAHPN-OZNZCJATSA-N -1 3 342.439 3.947 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)C1CCCCC1 ZINC000598439548 1033220422 /nfs/dbraw/zinc/22/04/22/1033220422.db2.gz NYRWSPUTAWLBOD-ZDUSSCGKSA-N -1 3 343.471 3.541 20 30 EHEDHM CC(C)(C)c1n[nH]cc1C([O-])=C(C#N)c1cc(C(F)(F)F)ccn1 ZINC000346581546 1024919271 /nfs/dbraw/zinc/91/92/71/1024919271.db2.gz HPPPJIZLYKUGGM-SNVBAGLBSA-N -1 3 336.317 3.611 20 30 EHEDHM COCc1nocc1C(=O)[N-]c1sc2c(c1C#N)[C@@H](C)[C@H](C)CC2 ZINC000425611522 1026062010 /nfs/dbraw/zinc/06/20/10/1026062010.db2.gz SRLSQNIJGVDRKG-ZJUUUORDSA-N -1 3 345.424 3.692 20 30 EHEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1csc(-c2ccccc2)n1 ZINC000127995986 1026795532 /nfs/dbraw/zinc/79/55/32/1026795532.db2.gz CYYHMSLFFJPJGX-HNNXBMFYSA-N -1 3 347.399 3.771 20 30 EHEDHM CC(C)(C)CN(CCC#N)Cc1cccc([O-])c1Br ZINC000459346480 1027789738 /nfs/dbraw/zinc/78/97/38/1027789738.db2.gz WXRKUMXCVSOKOM-UHFFFAOYSA-N -1 3 325.250 3.916 20 30 EHEDHM Cc1cc(C(C#N)=C([O-])c2cc(F)cc(C(F)(F)F)c2)nc(C)n1 ZINC000447236176 1030031308 /nfs/dbraw/zinc/03/13/08/1030031308.db2.gz FOMQJPVXQMAHAI-ZDUSSCGKSA-N -1 3 337.276 3.741 20 30 EHEDHM CC[C@H]1C[C@H](C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CCO1 ZINC000904180214 1031803126 /nfs/dbraw/zinc/80/31/26/1031803126.db2.gz JHLRRKLRXDQEAX-RISCZKNCSA-N -1 3 332.227 3.916 20 30 EHEDHM CCO[C@@H](C)c1ncc(C(=O)N([O-])Cc2ccccc2Cl)s1 ZINC000904188847 1031834892 /nfs/dbraw/zinc/83/48/92/1031834892.db2.gz QGICHZNSWKDEOK-JTQLQIEISA-N -1 3 340.832 3.926 20 30 EHEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2scnc2C)cc1 ZINC000173969991 1033636952 /nfs/dbraw/zinc/63/69/52/1033636952.db2.gz WUUREYWTPGNOSW-OAHLLOKOSA-N -1 3 341.436 3.755 20 30 EHEDHM [O-]c1ccc(Br)cc1/C=N/Cc1ccc(Cl)nc1 ZINC000077552085 1034513697 /nfs/dbraw/zinc/51/36/97/1034513697.db2.gz RHLZBFOFAUXPBR-LZYBPNLTSA-N -1 3 325.593 3.822 20 30 EHEDHM CN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])[C@H]1CCC[C@@H]1C#N ZINC000601816950 1034750128 /nfs/dbraw/zinc/75/01/28/1034750128.db2.gz HYBUUXHELNJDIB-KDOFPFPSSA-N -1 3 336.391 3.949 20 30 EHEDHM CN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])[C@H]1CCC[C@H]1C#N ZINC000601816952 1034750607 /nfs/dbraw/zinc/75/06/07/1034750607.db2.gz HYBUUXHELNJDIB-KSSFIOAISA-N -1 3 336.391 3.949 20 30 EHEDHM COCCC1(C/N=C\c2cc(Br)ccc2[O-])CCC1 ZINC000760211128 1035543510 /nfs/dbraw/zinc/54/35/10/1035543510.db2.gz KOKKFDJOTZQZCL-YVLHZVERSA-N -1 3 326.234 3.780 20 30 EHEDHM C=C[C@@H](CC(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1)c1ccccc1 ZINC000494089244 1037833514 /nfs/dbraw/zinc/83/35/14/1037833514.db2.gz LIYKNISRIGGATB-ZDUSSCGKSA-N -1 3 349.390 3.648 20 30 EHEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)cnn1-c1cccc(Cl)c1 ZINC000041481275 1038100730 /nfs/dbraw/zinc/10/07/30/1038100730.db2.gz QCONYXAKXJBUJP-OAHLLOKOSA-N -1 3 336.782 3.719 20 30 EHEDHM COc1cc(C([O-])=C(C#N)c2nc(C)cs2)ccc1OC(F)F ZINC000041521845 1038116058 /nfs/dbraw/zinc/11/60/58/1038116058.db2.gz VRTVLJMNAUGKGK-SNVBAGLBSA-N -1 3 338.335 3.552 20 30 EHEDHM CCc1nnsc1C(=O)[N-]c1ccccc1S[C@H](C)CC#N ZINC000066801769 1038153896 /nfs/dbraw/zinc/15/38/96/1038153896.db2.gz FPOKLSKCPKXNQF-SNVBAGLBSA-N -1 3 332.454 3.747 20 30 EHEDHM C[C@@H]1CCCc2ncc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)n21 ZINC000651360556 1038509426 /nfs/dbraw/zinc/50/94/26/1038509426.db2.gz FXCHAXWWQVHKGL-ZYHUDNBSSA-N -1 3 348.328 3.684 20 30 EHEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cnc(-c2ccccc2)s1 ZINC000128224623 1039769838 /nfs/dbraw/zinc/76/98/38/1039769838.db2.gz BOVZJDKGDJPJES-HNNXBMFYSA-N -1 3 347.399 3.771 20 30 EHEDHM CCCCC[C@@H]1CCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000489309259 1039817282 /nfs/dbraw/zinc/81/72/82/1039817282.db2.gz CDMJSJARPCAVSD-MRXNPFEDSA-N -1 3 343.471 3.780 20 30 EHEDHM N#C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000040216567 1042657132 /nfs/dbraw/zinc/65/71/32/1042657132.db2.gz WQBPSZUGUZLMRT-CQSZACIVSA-N -1 3 341.219 3.537 20 30 EHEDHM COc1cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1[O-] ZINC000005128220 1042850392 /nfs/dbraw/zinc/85/03/92/1042850392.db2.gz TVWWENPOEAWGQY-FARCUNLSSA-N -1 3 333.727 3.859 20 30 EHEDHM Cc1cc(Cl)cc(NC(=O)c2cc(C#N)cc(N(C)C)c2)c1[O-] ZINC000343931599 1042866360 /nfs/dbraw/zinc/86/63/60/1042866360.db2.gz POZACCKHTAUZRE-UHFFFAOYSA-N -1 3 329.787 3.544 20 30 EHEDHM O=C(c1cc(Br)co1)N([O-])Cc1ccccc1Cl ZINC001649046518 1127997983 /nfs/dbraw/zinc/99/79/83/1127997983.db2.gz XFGPDGSCFYMDAT-UHFFFAOYSA-N -1 3 330.565 3.727 20 30 EHEDHM CCCCCCN([O-])C(=O)CC(C)(C)CNC(=O)OC(C)(C)C ZINC001649056721 1128054109 /nfs/dbraw/zinc/05/41/09/1128054109.db2.gz HIPBVTXWQJXOGF-UHFFFAOYSA-N -1 3 330.469 3.726 20 30 EHEDHM CCCCCCN([O-])C(=O)Cc1csc(-n2c(C)ccc2C)n1 ZINC001649056676 1128055469 /nfs/dbraw/zinc/05/54/69/1128055469.db2.gz FWXQJLBKMGIRAM-UHFFFAOYSA-N -1 3 335.473 3.891 20 30 EHEDHM CCCCN([O-])C(=O)[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C ZINC001649061208 1128085072 /nfs/dbraw/zinc/08/50/72/1128085072.db2.gz IPKZCQNXNQRJES-OAHLLOKOSA-N -1 3 342.480 3.868 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@H]2CCCC[C@@H]2C)no1 ZINC000273735103 1128661747 /nfs/dbraw/zinc/66/17/47/1128661747.db2.gz BCPUTIQOQHWSEM-FZMZJTMJSA-N -1 3 340.427 3.738 20 30 EHEDHM N#CCC1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000542907582 1128827714 /nfs/dbraw/zinc/82/77/14/1128827714.db2.gz IFLQFEGDPPOOIU-UHFFFAOYSA-N -1 3 336.391 3.950 20 30 EHEDHM CC(C)c1cccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)n1 ZINC000762069405 1121089260 /nfs/dbraw/zinc/08/92/60/1121089260.db2.gz QVHJVGOMOUHGDP-GFCCVEGCSA-N -1 3 341.798 3.820 20 30 EHEDHM COc1cc(C(=O)/C=C\c2ccc3ncccc3c2)c(OC)cc1[O-] ZINC000763106882 1121682501 /nfs/dbraw/zinc/68/25/01/1121682501.db2.gz RNWKEGFWWHQDDZ-VURMDHGXSA-N -1 3 335.359 3.854 20 30 EHEDHM CC(=NNC(=S)Nc1cccnc1)c1ccc2ccccc2c1[O-] ZINC000916299642 1122120843 /nfs/dbraw/zinc/12/08/43/1122120843.db2.gz SKZIQVIFTNVRNY-UHFFFAOYSA-N -1 3 336.420 3.651 20 30 EHEDHM Cc1nc(C(C)C)sc1C([O-])=C(C#N)C(=O)Nc1cccc(C)c1 ZINC000916899328 1122382211 /nfs/dbraw/zinc/38/22/11/1122382211.db2.gz PVJGXUSRWSGYFI-AWEZNQCLSA-N -1 3 341.436 3.845 20 30 EHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cc(C)oc1C ZINC000916901155 1122382281 /nfs/dbraw/zinc/38/22/81/1122382281.db2.gz ZRWYPKKGQIWGEV-KRWDZBQOSA-N -1 3 338.407 3.982 20 30 EHEDHM COCc1nc(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)cs1 ZINC000154262724 1122455550 /nfs/dbraw/zinc/45/55/50/1122455550.db2.gz UUSJSRYFLMQZHW-UHFFFAOYSA-N -1 3 335.454 3.772 20 30 EHEDHM C=CCOc1ccc(/C=C/C(=O)Nc2cccc([O-])c2F)cc1OC ZINC000128999387 1122712460 /nfs/dbraw/zinc/71/24/60/1122712460.db2.gz CFBWFYVXURKQMD-CSKARUKUSA-N -1 3 343.354 3.757 20 30 EHEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc(C(C)C)cc1 ZINC000920384379 1123363082 /nfs/dbraw/zinc/36/30/82/1123363082.db2.gz ZXLDMAZBYVEWSD-UHFFFAOYSA-N -1 3 330.453 3.654 20 30 EHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2oc(C)cc2C)cc1Cl ZINC000175112875 1123597423 /nfs/dbraw/zinc/59/74/23/1123597423.db2.gz UZVUJGWSNRAYFR-GFCCVEGCSA-N -1 3 346.770 3.520 20 30 EHEDHM C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1cccc(C#N)c1 ZINC000615766936 1123872220 /nfs/dbraw/zinc/87/22/20/1123872220.db2.gz HCGVWRYUSVTGCS-ZDUSSCGKSA-N -1 3 326.371 3.603 20 30 EHEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)c2cc3ccccc3s2)c1[O-] ZINC000730434637 1130712088 /nfs/dbraw/zinc/71/20/88/1130712088.db2.gz PLURWFUNVLDJFZ-QQZXWGPFSA-N -1 3 326.421 3.983 20 30 EHEDHM COc1cc(OC)c(CC/N=C/c2cc(Cl)ccc2[O-])c(OC)c1 ZINC000730951766 1130753550 /nfs/dbraw/zinc/75/35/50/1130753550.db2.gz PVLKTDBDPWPHNP-RGVLZGJSSA-N -1 3 349.814 3.733 20 30 EHEDHM CCc1cnc(CC/N=C/c2cc(Br)ccc2[O-])s1 ZINC000743044572 1131842197 /nfs/dbraw/zinc/84/21/97/1131842197.db2.gz MAPCYTCRMAADDQ-LZYBPNLTSA-N -1 3 339.258 3.835 20 30 EHEDHM CCOC(=O)c1cc(C#N)c(Nc2ccc(C(C)=O)cc2)c(C)c1[O-] ZINC001173897250 1132166463 /nfs/dbraw/zinc/16/64/63/1132166463.db2.gz SSGNCAGLWIIZTI-UHFFFAOYSA-N -1 3 338.363 3.695 20 30 EHEDHM CCC(=NN=C(C)c1cnccn1)c1cc(Br)ccc1[O-] ZINC000745206617 1132215187 /nfs/dbraw/zinc/21/51/87/1132215187.db2.gz MUEIYOKLELTMBZ-UHFFFAOYSA-N -1 3 347.216 3.568 20 30 EHEDHM Cc1ncc(CO)c(/C=N\[C@H](C)c2ccc(-c3ccncc3)cc2)c1[O-] ZINC000746392604 1132507310 /nfs/dbraw/zinc/50/73/10/1132507310.db2.gz FAWUKDQRHGGAKE-KPQXCZDLSA-N -1 3 347.418 3.830 20 30 EHEDHM COc1cc(C#N)ccc1COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000766882542 1132899716 /nfs/dbraw/zinc/89/97/16/1132899716.db2.gz NDHUDOFSNYVCMV-UHFFFAOYSA-N -1 3 325.151 3.559 20 30 EHEDHM CCCCN([O-])C(=O)c1sc(-c2ccc(OC)cc2F)nc1C ZINC001184315410 1133920460 /nfs/dbraw/zinc/92/04/60/1133920460.db2.gz YENNPJJOBJAZSP-UHFFFAOYSA-N -1 3 338.404 3.898 20 30 EHEDHM CCCCN([O-])C(=O)C[C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001184315405 1133920585 /nfs/dbraw/zinc/92/05/85/1133920585.db2.gz YCYYVKGTORZURA-GJZGRUSLSA-N -1 3 342.480 3.678 20 30 EHEDHM CO[C@H](CC/N=C/c1cc(Br)ccc1[O-])C(F)(F)F ZINC000787139787 1133957861 /nfs/dbraw/zinc/95/78/61/1133957861.db2.gz BQJXNNQVTCVSDX-RGOWCBCBSA-N -1 3 340.139 3.541 20 30 EHEDHM COc1cc(/C=C\C(=O)c2cn3ccccc3n2)cc(Cl)c1[O-] ZINC000791429208 1134556554 /nfs/dbraw/zinc/55/65/54/1134556554.db2.gz ZJBVTCIYTRCXMO-WAYWQWQTSA-N -1 3 328.755 3.598 20 30 EHEDHM C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cc(=O)[n-]c(C)n2)c1 ZINC001189251857 1134558148 /nfs/dbraw/zinc/55/81/48/1134558148.db2.gz GZQBJDFSIXHLCO-UHFFFAOYSA-N -1 3 326.400 3.581 20 30 EHEDHM N#Cc1cc(NC(=O)c2cccc(Oc3ccccc3)n2)ccc1[O-] ZINC001191143116 1134810721 /nfs/dbraw/zinc/81/07/21/1134810721.db2.gz XZEITNKZIUGCMZ-UHFFFAOYSA-N -1 3 331.331 3.703 20 30 EHEDHM C=CCN(C(=O)c1ccc(Br)c(=O)[n-]1)C1CCCCC1 ZINC001193152699 1135110266 /nfs/dbraw/zinc/11/02/66/1135110266.db2.gz FRTVPJYVYBIBID-UHFFFAOYSA-N -1 3 339.233 3.511 20 30 EHEDHM Cc1ncc(CO)c(C=Nc2ccc(Oc3ccncc3)cc2)c1[O-] ZINC000747614188 1135982707 /nfs/dbraw/zinc/98/27/07/1135982707.db2.gz HKOHNPVGLGKWDE-UHFFFAOYSA-N -1 3 335.363 3.526 20 30 EHEDHM N#Cc1cc([O-])cc(C(=O)OCc2cc(Cl)cc3cccnc32)c1 ZINC000811184686 1136056145 /nfs/dbraw/zinc/05/61/45/1136056145.db2.gz CUACVVKXXKBHJU-UHFFFAOYSA-N -1 3 338.750 3.822 20 30 EHEDHM Cc1ncc(CO)c(C=Nc2ccc(OC(F)F)c(Cl)c2)c1[O-] ZINC000747707622 1136081003 /nfs/dbraw/zinc/08/10/03/1136081003.db2.gz MINHRAWMNOTFRP-UHFFFAOYSA-N -1 3 342.729 3.593 20 30 EHEDHM N#CC1(c2ccccn2)CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816600161 1136740031 /nfs/dbraw/zinc/74/00/31/1136740031.db2.gz NERKIWVKFNHHOP-UHFFFAOYSA-N -1 3 345.805 3.637 20 30 EHEDHM C=CCCO[N-]C(=O)CCSc1ccnc2cc(Cl)ccc21 ZINC000856032558 1136750793 /nfs/dbraw/zinc/75/07/93/1136750793.db2.gz MPNNAKNOESTZLV-UHFFFAOYSA-N -1 3 336.844 3.994 20 30 EHEDHM C=CCC1(CNC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)CCCC1 ZINC000821830506 1137039540 /nfs/dbraw/zinc/03/95/40/1137039540.db2.gz DYMXYHNRMBRDBO-UHFFFAOYSA-N -1 3 346.377 3.673 20 30 EHEDHM C=C(C)CO[N-]C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC000824028474 1137122149 /nfs/dbraw/zinc/12/21/49/1137122149.db2.gz JDWBRQHCLZAHOH-AWEZNQCLSA-N -1 3 346.427 3.539 20 30 EHEDHM [O-]c1ccc(F)c(CN=Nc2ncnc3c4ccccc4oc32)c1F ZINC000794482616 1137169788 /nfs/dbraw/zinc/16/97/88/1137169788.db2.gz ONYAVDWSOVSDSK-UHFFFAOYSA-N -1 3 340.289 3.806 20 30 EHEDHM C=CCC(F)(F)C(=O)[N-][C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000863562694 1137191902 /nfs/dbraw/zinc/19/19/02/1137191902.db2.gz KHHKNRMBFXIMLD-GFCCVEGCSA-N -1 3 338.181 3.745 20 30 EHEDHM C=C(Cl)C[C@H](NCc1cc(Cl)cc(Cl)c1OC)C(=O)[O-] ZINC000864518467 1137231631 /nfs/dbraw/zinc/23/16/31/1137231631.db2.gz KOFQGAFFGDOWFC-NSHDSACASA-N -1 3 338.618 3.687 20 30 EHEDHM COc1cc(/C=C2\COc3cc(F)ccc3C2=O)cc(Cl)c1[O-] ZINC000794726368 1137241532 /nfs/dbraw/zinc/24/15/32/1137241532.db2.gz BRFDBJGWHPNJHG-ONNFQVAWSA-N -1 3 334.730 3.852 20 30 EHEDHM C=C[C@H](C)O[N-]C(=O)Nc1nc(C)c(Cc2ccccc2F)s1 ZINC000844697758 1137248553 /nfs/dbraw/zinc/24/85/53/1137248553.db2.gz LBDKRCUKTIBCQA-JTQLQIEISA-N -1 3 335.404 3.809 20 30 EHEDHM N#CC(C(=O)C=Cc1ccco1)=C([O-])c1cc2c(s1)CCCC2 ZINC000845835808 1137314562 /nfs/dbraw/zinc/31/45/62/1137314562.db2.gz FHRCPGHLKPHFMS-HSBSLETESA-N -1 3 325.389 3.825 20 30 EHEDHM N#CC(C(=O)c1cc2c(s1)CCCC2)=C([O-])C=Cc1ccco1 ZINC000845835808 1137314564 /nfs/dbraw/zinc/31/45/64/1137314564.db2.gz FHRCPGHLKPHFMS-HSBSLETESA-N -1 3 325.389 3.825 20 30 EHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])C1CCC(F)(F)CC1 ZINC000845840452 1137315230 /nfs/dbraw/zinc/31/52/30/1137315230.db2.gz BTSVZIHESGMYIW-HNNXBMFYSA-N -1 3 331.362 3.822 20 30 EHEDHM N#Cc1cccc(C(F)(F)F)c1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001144631568 1137320933 /nfs/dbraw/zinc/32/09/33/1137320933.db2.gz UDYLFYPXVNEVCD-UHFFFAOYSA-N -1 3 338.260 3.603 20 30 EHEDHM C=C(C)CO[N-]C(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000846534781 1137355617 /nfs/dbraw/zinc/35/56/17/1137355617.db2.gz BGGBWKPQMNMJPK-UHFFFAOYSA-N -1 3 329.318 3.532 20 30 EHEDHM Cc1ncc(CO)c(C=Nc2ccccc2OCCC(C)C)c1[O-] ZINC000846756476 1137363547 /nfs/dbraw/zinc/36/35/47/1137363547.db2.gz IXDGPWVEMCWGLD-UHFFFAOYSA-N -1 3 328.412 3.763 20 30 EHEDHM CC1(C)C(=O)Nc2ccc(C(=O)/C=C\c3c(F)ccc([O-])c3F)cc21 ZINC000794941296 1137373318 /nfs/dbraw/zinc/37/33/18/1137373318.db2.gz NJDQRYAIQNEIMJ-DAXSKMNVSA-N -1 3 343.329 3.796 20 30 EHEDHM COc1cc(C)c(C(=O)/C=C/c2c(F)ccc([O-])c2F)cc1OC ZINC000794942577 1137373777 /nfs/dbraw/zinc/37/37/77/1137373777.db2.gz OTUKMTIABNOOJJ-GQCTYLIASA-N -1 3 334.318 3.892 20 30 EHEDHM Cc1ncc(CO)c(C=Nc2ccc(COc3ccccc3)cc2)c1[O-] ZINC000773151015 1137470787 /nfs/dbraw/zinc/47/07/87/1137470787.db2.gz PGHPDULALIIHTF-UHFFFAOYSA-N -1 3 348.402 3.918 20 30 EHEDHM Cc1cc(C(C#N)=C([O-])c2cc(Cl)nc(C(C)(C)C)c2)nc(C)n1 ZINC000870133732 1137478296 /nfs/dbraw/zinc/47/82/96/1137478296.db2.gz CLCOIZQWGAZOEN-CYBMUJFWSA-N -1 3 342.830 3.929 20 30 EHEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@H]1SCCc2sccc21 ZINC000079700705 1138157806 /nfs/dbraw/zinc/15/78/06/1138157806.db2.gz XMHDMSVTMRFHPH-ZETCQYMHSA-N -1 3 334.348 3.504 20 30 EHEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@H]1SCCc2sccc21 ZINC000079700705 1138157807 /nfs/dbraw/zinc/15/78/07/1138157807.db2.gz XMHDMSVTMRFHPH-ZETCQYMHSA-N -1 3 334.348 3.504 20 30 EHEDHM Cc1ccc(C(=O)Nc2n[nH]c(-c3ccccc3Cl)n2)c([O-])c1 ZINC000078790617 217122067 /nfs/dbraw/zinc/12/20/67/217122067.db2.gz PWTOXJUXJWHNRS-UHFFFAOYSA-N -1 3 328.759 3.775 20 30 EHEDHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)c1ccc(C#N)cc1 ZINC000736192980 599173177 /nfs/dbraw/zinc/17/31/77/599173177.db2.gz OOPZMOXZWINUIN-SNVBAGLBSA-N -1 3 325.372 3.731 20 30 EHEDHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)c1ccc(C#N)cc1 ZINC000736192980 599173180 /nfs/dbraw/zinc/17/31/80/599173180.db2.gz OOPZMOXZWINUIN-SNVBAGLBSA-N -1 3 325.372 3.731 20 30 EHEDHM C=CCOc1ccc(C=Cc2ccc(-c3nnn[n-]3)cn2)cc1Cl ZINC000735436909 598438651 /nfs/dbraw/zinc/43/86/51/598438651.db2.gz UAAFGLFXVTZGOL-ZZXKWVIFSA-N -1 3 339.786 3.650 20 30 EHEDHM C=CCOc1ccc(C=Cc2ccc(-c3nn[n-]n3)cn2)cc1Cl ZINC000735436909 598438652 /nfs/dbraw/zinc/43/86/52/598438652.db2.gz UAAFGLFXVTZGOL-ZZXKWVIFSA-N -1 3 339.786 3.650 20 30 EHEDHM C[C@@H](SCc1ccc(C#N)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736187390 599329126 /nfs/dbraw/zinc/32/91/26/599329126.db2.gz ABQNRDRJVKIROC-LLVKDONJSA-N -1 3 339.399 3.872 20 30 EHEDHM C[C@@H](SCc1ccc(C#N)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187390 599329127 /nfs/dbraw/zinc/32/91/27/599329127.db2.gz ABQNRDRJVKIROC-LLVKDONJSA-N -1 3 339.399 3.872 20 30 EHEDHM CCCCCCCCC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821048341 599509664 /nfs/dbraw/zinc/50/96/64/599509664.db2.gz AVSLQTZHVUKAPZ-CQSZACIVSA-N -1 3 329.448 3.795 20 30 EHEDHM CCCCCCCCC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821048341 599509665 /nfs/dbraw/zinc/50/96/65/599509665.db2.gz AVSLQTZHVUKAPZ-CQSZACIVSA-N -1 3 329.448 3.795 20 30 EHEDHM N#Cc1cccc([C@@H](C(=O)[O-])N2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000833074006 601310888 /nfs/dbraw/zinc/31/08/88/601310888.db2.gz MAPUZJRYBZJPNH-IBGZPJMESA-N -1 3 336.366 3.612 20 30 EHEDHM N#Cc1ccc(-c2cccc(CN[C@@H](C(=O)[O-])c3cccnc3)c2)s1 ZINC000833070816 605003352 /nfs/dbraw/zinc/00/33/52/605003352.db2.gz UFGVNRJFQOGBTG-GOSISDBHSA-N -1 3 349.415 3.597 20 30 EHEDHM C=CCC[C@@H](NCC(=O)Nc1ccsc1C(=O)[O-])c1ccccc1 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N#Cc1cc(Cl)ccc1SCc1cc(-c2nn[n-]n2)ccc1F ZINC000822819345 606630817 /nfs/dbraw/zinc/63/08/17/606630817.db2.gz QPALDJBUPZUMMB-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM N#Cc1ccc(SCc2cc(-c3nnn[n-]3)ccc2F)c(Cl)c1 ZINC000822833229 606852032 /nfs/dbraw/zinc/85/20/32/606852032.db2.gz MNVHULGTNTUNRZ-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM N#Cc1ccc(SCc2cc(-c3nn[n-]n3)ccc2F)c(Cl)c1 ZINC000822833229 606852034 /nfs/dbraw/zinc/85/20/34/606852034.db2.gz MNVHULGTNTUNRZ-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM N#Cc1ccc(SCc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000822833847 606854443 /nfs/dbraw/zinc/85/44/43/606854443.db2.gz XOKLVNQIWNGOLR-UHFFFAOYSA-N -1 3 327.800 3.684 20 30 EHEDHM N#Cc1ccc(SCc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000822833847 606854444 /nfs/dbraw/zinc/85/44/44/606854444.db2.gz XOKLVNQIWNGOLR-UHFFFAOYSA-N -1 3 327.800 3.684 20 30 EHEDHM C=CCC(CC=C)C(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819734453 606933715 /nfs/dbraw/zinc/93/37/15/606933715.db2.gz OBOVILAYCYLHQR-AWEZNQCLSA-N -1 3 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1135192514 /nfs/dbraw/zinc/19/25/14/1135192514.db2.gz AGHCEVAZWVGSBC-UHFFFAOYSA-N -1 3 338.392 3.847 20 30 EHEDHM COc1cccc(-c2cc([O-])cc(C(=O)Nc3cccc(C#N)n3)c2)c1 ZINC001196366357 1135556257 /nfs/dbraw/zinc/55/62/57/1135556257.db2.gz SGTLZHYYIQHILN-UHFFFAOYSA-N -1 3 345.358 3.587 20 30 EHEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000775742040 1135604380 /nfs/dbraw/zinc/60/43/80/1135604380.db2.gz VCDZFBWMHOJTEQ-ORUPLYDPSA-N -1 3 328.170 3.991 20 30 EHEDHM N#Cc1oc2ccccc2c1[N-]C(=O)c1cnccc1OC1CCC1 ZINC001198866786 1135864048 /nfs/dbraw/zinc/86/40/48/1135864048.db2.gz QEANPYLGOZDESZ-UHFFFAOYSA-N -1 3 333.347 3.883 20 30 EHEDHM CCOc1cc(/C=C2/Cc3c(cccc3O)C2=O)cc(Cl)c1[O-] ZINC000810249486 1135948180 /nfs/dbraw/zinc/94/81/80/1135948180.db2.gz BDDAKWPAFTXTAV-WDZFZDKYSA-N -1 3 330.767 3.972 20 30 EHEDHM C=CCOC(=O)c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(F)c1 ZINC001201221754 1135999631 /nfs/dbraw/zinc/99/96/31/1135999631.db2.gz FAKUWCWRBQXPIM-UHFFFAOYSA-N -1 3 332.287 3.526 20 30 EHEDHM N#Cc1cc([O-])cc(C(=O)OCc2c(Cl)ccc3cccnc32)c1 ZINC000811183996 1136056535 /nfs/dbraw/zinc/05/65/35/1136056535.db2.gz DVAMTETYLBSGJU-UHFFFAOYSA-N -1 3 338.750 3.822 20 30 EHEDHM C=C(C)CN(Cc1ccc(CO)o1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816609111 1136740943 /nfs/dbraw/zinc/74/09/43/1136740943.db2.gz SATRYAKKDUISPE-UHFFFAOYSA-N -1 3 339.794 3.848 20 30 EHEDHM Cc1ccc(COCC(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)cc1 ZINC000857033738 1136834970 /nfs/dbraw/zinc/83/49/70/1136834970.db2.gz KEEOCVPNDNCUNO-LJQANCHMSA-N -1 3 347.414 3.521 20 30 EHEDHM Cc1ncc(CO)c(/C=N/[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c1[O-] ZINC000794847190 1137291186 /nfs/dbraw/zinc/29/11/86/1137291186.db2.gz FPJJTTMUFMCISA-WCCGLUEHSA-N -1 3 330.815 3.606 20 30 EHEDHM COc1cc(F)c([C@@H](C)N[C@H](C)c2cccc(C#N)c2[O-])cc1OC ZINC000866266614 1137340795 /nfs/dbraw/zinc/34/07/95/1137340795.db2.gz LRPXTWGIEUOMIO-VXGBXAGGSA-N -1 3 344.386 3.832 20 30 EHEDHM Cc1ccc(-c2cnc(CCC(=O)[N-]Oc3cccc(C#N)c3)o2)cc1 ZINC001171247450 1137363000 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CCc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)s1 ZINC000821482067 599113565 /nfs/dbraw/zinc/11/35/65/599113565.db2.gz PVMUYORQVKSCKN-BENRWUELSA-N -1 3 336.420 3.703 20 30 EHEDHM CCc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)s1 ZINC000821482067 599113567 /nfs/dbraw/zinc/11/35/67/599113567.db2.gz PVMUYORQVKSCKN-BENRWUELSA-N -1 3 336.420 3.703 20 30 EHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccccc1Cl ZINC000823504355 599115001 /nfs/dbraw/zinc/11/50/01/599115001.db2.gz PDZVTWVLORNBAB-RAXLEYEMSA-N -1 3 336.782 3.733 20 30 EHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccccc1Cl ZINC000823504355 599115002 /nfs/dbraw/zinc/11/50/02/599115002.db2.gz PDZVTWVLORNBAB-RAXLEYEMSA-N -1 3 336.782 3.733 20 30 EHEDHM Cc1cc(C)c(-c2nnn[n-]2)c(S[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000737240990 599285523 /nfs/dbraw/zinc/28/55/23/599285523.db2.gz NUOGHIDVOVHBQE-LBPRGKRZSA-N -1 3 336.424 3.604 20 30 EHEDHM Cc1cc(C)c(-c2nn[n-]n2)c(S[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000737240990 599285526 /nfs/dbraw/zinc/28/55/26/599285526.db2.gz NUOGHIDVOVHBQE-LBPRGKRZSA-N -1 3 336.424 3.604 20 30 EHEDHM O=C1C(=Cc2cscc2Cl)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823503796 607368066 /nfs/dbraw/zinc/36/80/66/607368066.db2.gz IWDPPGPDAMRMFF-UXBLZVDNSA-N -1 3 342.811 3.794 20 30 EHEDHM O=C1C(=Cc2cscc2Cl)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823503796 607368068 /nfs/dbraw/zinc/36/80/68/607368068.db2.gz IWDPPGPDAMRMFF-UXBLZVDNSA-N -1 3 342.811 3.794 20 30 EHEDHM C[C@H](SCc1ccc(C#N)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736187394 599329369 /nfs/dbraw/zinc/32/93/69/599329369.db2.gz ABQNRDRJVKIROC-NSHDSACASA-N -1 3 339.399 3.872 20 30 EHEDHM C[C@H](SCc1ccc(C#N)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736187394 599329372 /nfs/dbraw/zinc/32/93/72/599329372.db2.gz ABQNRDRJVKIROC-NSHDSACASA-N -1 3 339.399 3.872 20 30 EHEDHM C=CCC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1C)c1ccccc1 ZINC000823893900 607710012 /nfs/dbraw/zinc/71/00/12/607710012.db2.gz ARVXQZOIHCGLPM-SFHVURJKSA-N -1 3 347.422 3.612 20 30 EHEDHM C=CCC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1C)c1ccccc1 ZINC000823893900 607710014 /nfs/dbraw/zinc/71/00/14/607710014.db2.gz ARVXQZOIHCGLPM-SFHVURJKSA-N -1 3 347.422 3.612 20 30 EHEDHM C=CCNc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000819750247 606765975 /nfs/dbraw/zinc/76/59/75/606765975.db2.gz BEIZVCLBGNKHFZ-UHFFFAOYSA-N -1 3 341.802 3.697 20 30 EHEDHM C=CCNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000819750247 606765976 /nfs/dbraw/zinc/76/59/76/606765976.db2.gz BEIZVCLBGNKHFZ-UHFFFAOYSA-N -1 3 341.802 3.697 20 30 EHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1C(F)(F)F ZINC000826402046 607883905 /nfs/dbraw/zinc/88/39/05/607883905.db2.gz LZDGRXFPOZFREJ-KTKRTIGZSA-N -1 3 344.296 3.782 20 30 EHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1C(F)(F)F ZINC000826402046 607883906 /nfs/dbraw/zinc/88/39/06/607883906.db2.gz LZDGRXFPOZFREJ-KTKRTIGZSA-N -1 3 344.296 3.782 20 30 EHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1cc2c(s1)CCCC2 ZINC000826401849 607885325 /nfs/dbraw/zinc/88/53/25/607885325.db2.gz IBEMLVLKFVNJCV-MDZDMXLPSA-N -1 3 336.420 3.703 20 30 EHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1cc2c(s1)CCCC2 ZINC000826401849 607885326 /nfs/dbraw/zinc/88/53/26/607885326.db2.gz IBEMLVLKFVNJCV-MDZDMXLPSA-N -1 3 336.420 3.703 20 30 EHEDHM Clc1oc2ccccc2c1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826354473 608054360 /nfs/dbraw/zinc/05/43/60/608054360.db2.gz GCMKXPNJORNLPX-UHFFFAOYSA-N -1 3 338.758 3.712 20 30 EHEDHM O=C1c2cccc3c2[C@@H](CCC3)C1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000826475907 608109577 /nfs/dbraw/zinc/10/95/77/608109577.db2.gz VQJPCFSDSSIOCG-ZCQLHAAUSA-N -1 3 328.375 3.567 20 30 EHEDHM O=C1c2cccc3c2[C@@H](CCC3)C1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000826475907 608109578 /nfs/dbraw/zinc/10/95/78/608109578.db2.gz VQJPCFSDSSIOCG-ZCQLHAAUSA-N -1 3 328.375 3.567 20 30 EHEDHM C[C@H]1CC(=Cc2ccc(F)c(-c3nnn[n-]3)c2)C(=O)c2ccccc21 ZINC000824857805 608879460 /nfs/dbraw/zinc/87/94/60/608879460.db2.gz FXXRQQVEWYKNNO-GJSJWPQCSA-N -1 3 334.354 3.779 20 30 EHEDHM C[C@H]1CC(=Cc2ccc(F)c(-c3nn[n-]n3)c2)C(=O)c2ccccc21 ZINC000824857805 608879461 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C[C@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1cccc(C#N)c1 ZINC000610346309 1018355457 /nfs/dbraw/zinc/35/54/57/1018355457.db2.gz SPOMIJVVQMFJDL-LBPRGKRZSA-N -1 3 344.374 3.804 20 30 EHEDHM N#Cc1cccc(CN[C@@H](CC(=O)[O-])c2cccc(C(F)(F)F)c2)c1 ZINC000340686274 1019325853 /nfs/dbraw/zinc/32/58/53/1019325853.db2.gz XUIFIRWDGQNLRF-INIZCTEOSA-N -1 3 348.324 3.883 20 30 EHEDHM Cc1cc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)cc([N+](=O)[O-])c1 ZINC000345365390 1020188609 /nfs/dbraw/zinc/18/86/09/1020188609.db2.gz AQKLPOBOJPDXSR-AWEZNQCLSA-N -1 3 334.335 3.578 20 30 EHEDHM COc1cc(OC)cc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)c1 ZINC000430629575 1021325032 /nfs/dbraw/zinc/32/50/32/1021325032.db2.gz OUUBUUFXJUKEGI-AWEZNQCLSA-N -1 3 344.436 3.948 20 30 EHEDHM CCN(CC)[C@H](C/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccsc1 ZINC000255367623 1021570816 /nfs/dbraw/zinc/57/08/16/1021570816.db2.gz LOHCYDAPTCUBMX-LTKMBJGESA-N -1 3 347.440 3.864 20 30 EHEDHM C[C@@H](c1cccc(C#N)c1)N(C)Cc1ncc(Br)cc1[O-] ZINC000895018138 1022376990 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N#CC(=C([O-])c1ccc2c(n1)CCCC2)c1ccc(C(F)(F)F)cn1 ZINC000533086961 1029311603 /nfs/dbraw/zinc/31/16/03/1029311603.db2.gz MFVDOVPATZAQMX-ZDUSSCGKSA-N -1 3 345.324 3.864 20 30 EHEDHM N#Cc1cccc(-c2cc(C(=O)N3CCCc4cccc([O-])c43)on2)c1 ZINC000447541471 1030275043 /nfs/dbraw/zinc/27/50/43/1030275043.db2.gz MGNAOZMEODYGFC-UHFFFAOYSA-N -1 3 345.358 3.512 20 30 EHEDHM COC1CCC(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000904180669 1031802848 /nfs/dbraw/zinc/80/28/48/1031802848.db2.gz MVVKUZOWHFTYLT-UHFFFAOYSA-N -1 3 332.227 3.916 20 30 EHEDHM C[C@H]1C[C@H](C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CCC1=O ZINC000904179709 1031803732 /nfs/dbraw/zinc/80/37/32/1031803732.db2.gz BKFKELZLSZEKEY-GXSJLCMTSA-N -1 3 330.211 3.717 20 30 EHEDHM C[C@H]1C(=O)CC[C@H]1CC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904180148 1031804382 /nfs/dbraw/zinc/80/43/82/1031804382.db2.gz HVFYTMREBMLXJI-KOLCDFICSA-N -1 3 330.211 3.717 20 30 EHEDHM CC(C)(C)CN(CCC#N)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000598695649 1033408076 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C=C[C@@H]1CCCCN1C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000907808100 1040197373 /nfs/dbraw/zinc/19/73/73/1040197373.db2.gz PENUCOOWVBAVCZ-LLVKDONJSA-N -1 3 337.445 3.671 20 30 EHEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000899225482 1040201740 /nfs/dbraw/zinc/20/17/40/1040201740.db2.gz VUCKVXIHOVNQLH-BZNIZROVSA-N -1 3 346.377 3.671 20 30 EHEDHM CCCCN([O-])C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC001649060841 1128081395 /nfs/dbraw/zinc/08/13/95/1128081395.db2.gz DTFJJZGGOWHAHJ-CQSZACIVSA-N -1 3 334.416 3.543 20 30 EHEDHM O=C(c1cc(-c2ccco2)n[nH]1)N([O-])Cc1cccc2ccccc21 ZINC001649069515 1128133901 /nfs/dbraw/zinc/13/39/01/1128133901.db2.gz CCEQWBMGXLENIG-UHFFFAOYSA-N -1 3 333.347 3.855 20 30 EHEDHM N#Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)ccc1Cl ZINC000055567679 1128523553 /nfs/dbraw/zinc/52/35/53/1128523553.db2.gz WSXUHDPCUDYDCM-UHFFFAOYSA-N -1 3 345.182 3.805 20 30 EHEDHM N#Cc1cccc(C2([N-]C(=O)C(F)(F)c3ccccc3F)CC2)c1 ZINC000765882200 1128637867 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CCCCN(C)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000731784933 1130846941 /nfs/dbraw/zinc/84/69/41/1130846941.db2.gz ODCJBEMXWHVGTM-UHFFFAOYSA-N -1 3 343.452 3.595 20 30 EHEDHM COc1cc2nc(N=Cc3cc(Cl)ccc3[O-])[nH]c2cc1OC ZINC000732714421 1130948325 /nfs/dbraw/zinc/94/83/25/1130948325.db2.gz ZRYLJWMNCNEIPY-UHFFFAOYSA-N -1 3 331.759 3.690 20 30 EHEDHM CCOc1cc(/C=C/C(=O)c2c(C)nn(C)c2C)cc(Cl)c1[O-] ZINC000144259615 1131161609 /nfs/dbraw/zinc/16/16/09/1131161609.db2.gz XEOLVTXTCBPIFX-VOTSOKGWSA-N -1 3 334.803 3.691 20 30 EHEDHM Cc1cc(C(=O)/C=C\c2cc3c(cc2OC(F)F)OCO3)ccc1[O-] ZINC000741842380 1131655193 /nfs/dbraw/zinc/65/51/93/1131655193.db2.gz SKXRAYOQFGNHDP-HYXAFXHYSA-N -1 3 348.301 3.927 20 30 EHEDHM CCC1(C/N=C\c2cc(Br)ccc2[O-])CCOCC1 ZINC000745975922 1132341675 /nfs/dbraw/zinc/34/16/75/1132341675.db2.gz CQBZUQXCMRDXGB-YVLHZVERSA-N -1 3 326.234 3.780 20 30 EHEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)c2ccc(-c3ccncc3)cc2)c1[O-] ZINC000746392598 1132507282 /nfs/dbraw/zinc/50/72/82/1132507282.db2.gz FAWUKDQRHGGAKE-HZZGJGATSA-N -1 3 347.418 3.830 20 30 EHEDHM N#Cc1c(Cl)nc2cccc(F)c2c1NCc1ncccc1[O-] ZINC001169732449 1132842617 /nfs/dbraw/zinc/84/26/17/1132842617.db2.gz XLAWPIMVDUKYPY-UHFFFAOYSA-N -1 3 328.734 3.612 20 30 EHEDHM C=CCc1ccc(NC(=O)C(C)(C)C)c(NCc2ncccc2[O-])n1 ZINC001169732077 1132843438 /nfs/dbraw/zinc/84/34/38/1132843438.db2.gz HKMQGSQJXOHMEL-UHFFFAOYSA-N -1 3 340.427 3.507 20 30 EHEDHM CCN(CC)C(=O)c1cc(Nc2cc(C#N)ccc2[O-])ccc1F ZINC001176517548 1132954995 /nfs/dbraw/zinc/95/49/95/1132954995.db2.gz AKIFUBHNOIWORH-UHFFFAOYSA-N -1 3 327.359 3.629 20 30 EHEDHM CCC(=NNc1ccnc(Br)c1)c1ccc([O-])c(F)c1 ZINC000769803418 1133349096 /nfs/dbraw/zinc/34/90/96/1133349096.db2.gz MUEXFVCTKPTJAY-UHFFFAOYSA-N -1 3 338.180 3.915 20 30 EHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@H]2CC2(CC)CC)c(C)c1[O-] ZINC001181888979 1133548260 /nfs/dbraw/zinc/54/82/60/1133548260.db2.gz ZZGADYSHMGSBHG-CQSZACIVSA-N -1 3 344.411 3.514 20 30 EHEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787254349 1133979471 /nfs/dbraw/zinc/97/94/71/1133979471.db2.gz VJPFERGLVXPIDN-ZDUSSCGKSA-N -1 3 342.370 3.784 20 30 EHEDHM Cc1noc([N-]C(=O)Nc2ccc(Br)cc2C)c1C#N ZINC001184781537 1133990244 /nfs/dbraw/zinc/99/02/44/1133990244.db2.gz QWYALFPLFIQCHY-UHFFFAOYSA-N -1 3 335.161 3.570 20 30 EHEDHM N#Cc1cnnc(-c2ccccc2)c1[N-]C(=O)c1scnc1C1CC1 ZINC001185674371 1134123526 /nfs/dbraw/zinc/12/35/26/1134123526.db2.gz WZCWHFQTPORRKA-UHFFFAOYSA-N -1 3 347.403 3.601 20 30 EHEDHM CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccc([O-])c(C#N)c2)cc1 ZINC001185839974 1134140894 /nfs/dbraw/zinc/14/08/94/1134140894.db2.gz WSMOQGDXBJZLMJ-UHFFFAOYSA-N -1 3 337.379 3.501 20 30 EHEDHM CN(C)[C@H](C/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccc(Cl)cc1 ZINC000746816769 1134274393 /nfs/dbraw/zinc/27/43/93/1134274393.db2.gz UJPGQCGRBYQSQF-DZGUVLCISA-N -1 3 347.802 3.676 20 30 EHEDHM N#Cc1cccc(C(F)(F)F)c1[N-]C(=O)c1cc(F)nc(F)c1F ZINC001189173638 1134553430 /nfs/dbraw/zinc/55/34/30/1134553430.db2.gz GFPNNGVQCZKHGV-UHFFFAOYSA-N -1 3 345.202 3.642 20 30 EHEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001190670638 1134729124 /nfs/dbraw/zinc/72/91/24/1134729124.db2.gz DMTVBGCGQCREER-UHFFFAOYSA-N -1 3 336.482 3.691 20 30 EHEDHM N#Cc1cc(NC(=O)c2cccnc2Oc2ccccc2)ccc1[O-] ZINC001192705750 1135049659 /nfs/dbraw/zinc/04/96/59/1135049659.db2.gz CSKIBENQCKCLHX-UHFFFAOYSA-N -1 3 331.331 3.703 20 30 EHEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCCOc3c(Cl)cccc32)c1[O-] ZINC000775628984 1135348578 /nfs/dbraw/zinc/34/85/78/1135348578.db2.gz CRKAXQJFAUIEQX-MSGYXIIISA-N -1 3 346.814 3.574 20 30 EHEDHM COc1cc(/C=C2/Cc3nc(Cl)ccc3C2=O)cc(Cl)c1[O-] ZINC000806578619 1135455407 /nfs/dbraw/zinc/45/54/07/1135455407.db2.gz VYJHZTDITICGRD-WTKPLQERSA-N -1 3 336.174 3.925 20 30 EHEDHM O=c1[nH]c(NN=Cc2ccc3ccccc3c2[O-])nc2ccccc12 ZINC000814869322 1136518234 /nfs/dbraw/zinc/51/82/34/1136518234.db2.gz WYBNEKCMPFUFRJ-UHFFFAOYSA-N -1 3 330.347 3.640 20 30 EHEDHM CC[C@H](C#N)Oc1cccc(CNCc2c(F)ccc([O-])c2F)c1 ZINC000816551493 1136733120 /nfs/dbraw/zinc/73/31/20/1136733120.db2.gz CYFNVQSMNWVIHM-CYBMUJFWSA-N -1 3 332.350 3.641 20 30 EHEDHM COc1ccc(/C=C\C(=O)c2ccc([O-])c(OC)c2)cc1OC1CC1 ZINC000863180480 1137172785 /nfs/dbraw/zinc/17/27/85/1137172785.db2.gz OVEUZMVXUJDEIE-BAQGIRSFSA-N -1 3 340.375 3.847 20 30 EHEDHM CCCOc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1C ZINC000863428153 1137185716 /nfs/dbraw/zinc/18/57/16/1137185716.db2.gz RPRPCYXJAJQEIA-UHFFFAOYSA-N -1 3 344.436 3.651 20 30 EHEDHM N#CC1(c2ccc(CNCc3cccc(CCC(=O)[O-])c3)cc2)CC1 ZINC000864518446 1137231609 /nfs/dbraw/zinc/23/16/09/1137231609.db2.gz JWUJEJDIUWWOAT-UHFFFAOYSA-N -1 3 334.419 3.549 20 30 EHEDHM Cc1ncc(CO)c(/C=N\[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c1[O-] ZINC000794847188 1137291297 /nfs/dbraw/zinc/29/12/97/1137291297.db2.gz FPJJTTMUFMCISA-UXNZTACUSA-N -1 3 330.815 3.606 20 30 EHEDHM CCc1cccc(OCC(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)c1 ZINC000845838403 1137314662 /nfs/dbraw/zinc/31/46/62/1137314662.db2.gz WHUSGKIVVZSWMB-IBGZPJMESA-N -1 3 347.414 3.638 20 30 EHEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1cnn(-c2ccccc2)c1 ZINC000794935459 1137367104 /nfs/dbraw/zinc/36/71/04/1137367104.db2.gz RMNQZMJRYALGIC-VURMDHGXSA-N -1 3 326.302 3.752 20 30 EHEDHM CCOC(=O)Cc1ccc(C(=O)/C=C\c2c(F)ccc([O-])c2F)cc1 ZINC000794936207 1137371073 /nfs/dbraw/zinc/37/10/73/1137371073.db2.gz CVUSVWAVKFJDGK-CLFYSBASSA-N -1 3 346.329 3.672 20 30 EHEDHM Cc1cncc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000132006356 1137862026 /nfs/dbraw/zinc/86/20/26/1137862026.db2.gz CQDNDIQUVLFXLU-AWEZNQCLSA-N -1 3 348.189 3.658 20 30 EHEDHM [O-]c1ccc(Cl)cc1/C=N\CC[C@H]1CCC2(CCOCC2)CO1 ZINC000887270461 1138252378 /nfs/dbraw/zinc/25/23/78/1138252378.db2.gz NTYPTEPEEMLZEQ-SDLDRHLBSA-N -1 3 337.847 3.830 20 30 EHEDHM C=CCN(CC1CCCCC1)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000122450248 1138258304 /nfs/dbraw/zinc/25/83/04/1138258304.db2.gz AAECSKKJHCWAEM-UHFFFAOYSA-N -1 3 330.428 3.559 20 30 EHEDHM CC(=O)N(c1nc(/C=C/C(=O)c2ccc([O-])c(C)c2)cs1)C1CC1 ZINC000265140369 1138742789 /nfs/dbraw/zinc/74/27/89/1138742789.db2.gz MWTHAAJRJJIYCM-XBXARRHUSA-N -1 3 342.420 3.569 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(C(C)C)c1 ZINC000011869236 211260538 /nfs/dbraw/zinc/26/05/38/211260538.db2.gz OXDVRYUXKHNRQF-UHFFFAOYSA-N -1 3 337.423 3.558 20 30 EHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccc(Cl)cc1 ZINC000823503073 599117090 /nfs/dbraw/zinc/11/70/90/599117090.db2.gz AUDZPMIAWXDXNA-LCYFTJDESA-N -1 3 336.782 3.733 20 30 EHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccc(Cl)cc1 ZINC000823503073 599117093 /nfs/dbraw/zinc/11/70/93/599117093.db2.gz AUDZPMIAWXDXNA-LCYFTJDESA-N -1 3 336.782 3.733 20 30 EHEDHM CC(C)Oc1ccc(C#N)cc1N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735905860 599323280 /nfs/dbraw/zinc/32/32/80/599323280.db2.gz NFDINCCFRIRMGT-ZDUSSCGKSA-N -1 3 348.410 3.699 20 30 EHEDHM CC(C)Oc1ccc(C#N)cc1N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735905860 599323282 /nfs/dbraw/zinc/32/32/82/599323282.db2.gz NFDINCCFRIRMGT-ZDUSSCGKSA-N -1 3 348.410 3.699 20 30 EHEDHM C[C@H](c1ccc(C#N)cc1)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC000736826918 600488770 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ZINC000819718936 606627859 /nfs/dbraw/zinc/62/78/59/606627859.db2.gz VDTMHZPIOZOKQT-UHFFFAOYSA-N -1 3 331.626 3.521 20 30 EHEDHM C=CCC(CC=C)C(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819734455 606933337 /nfs/dbraw/zinc/93/33/37/606933337.db2.gz OBOVILAYCYLHQR-CQSZACIVSA-N -1 3 339.443 3.545 20 30 EHEDHM C=CCC(CC=C)C(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819734455 606933339 /nfs/dbraw/zinc/93/33/39/606933339.db2.gz OBOVILAYCYLHQR-CQSZACIVSA-N -1 3 339.443 3.545 20 30 EHEDHM Clc1ccc(Cl)c(C=NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826352245 607808224 /nfs/dbraw/zinc/80/82/24/607808224.db2.gz UPSOIRPRPVPGIN-UHFFFAOYSA-N -1 3 333.182 3.620 20 30 EHEDHM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)CCc2ccc(Cl)cc21 ZINC000826475857 608048036 /nfs/dbraw/zinc/04/80/36/608048036.db2.gz TVOSBQZXRYEDOD-BJMVGYQFSA-N -1 3 342.811 3.794 20 30 EHEDHM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)CCc2ccc(Cl)cc21 ZINC000826475857 608048037 /nfs/dbraw/zinc/04/80/37/608048037.db2.gz TVOSBQZXRYEDOD-BJMVGYQFSA-N -1 3 342.811 3.794 20 30 EHEDHM O=C(C=Cc1ccc(Cl)s1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826401052 609274798 /nfs/dbraw/zinc/27/47/98/609274798.db2.gz OEVBFXBVNIFNNS-DJWKRKHSSA-N -1 3 334.763 3.617 20 30 EHEDHM O=C(C=Cc1ccc(Cl)s1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826401052 609274799 /nfs/dbraw/zinc/27/47/99/609274799.db2.gz OEVBFXBVNIFNNS-DJWKRKHSSA-N -1 3 334.763 3.617 20 30 EHEDHM CC(=NNc1ccc(Cl)c(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823958482 946527535 /nfs/dbraw/zinc/52/75/35/946527535.db2.gz OSBVJALIFUQCNI-UHFFFAOYSA-N -1 3 336.783 3.557 20 30 EHEDHM CSc1ccc2c(c1)CCC(=Cc1ccccc1-c1nnn[n-]1)C2=O ZINC000826231138 947677526 /nfs/dbraw/zinc/67/75/26/947677526.db2.gz YQDDHFQIZIVNFV-GXDHUFHOSA-N -1 3 348.431 3.801 20 30 EHEDHM CSc1ccc2c(c1)CCC(=Cc1ccccc1-c1nn[n-]n1)C2=O ZINC000826231138 947677529 /nfs/dbraw/zinc/67/75/29/947677529.db2.gz YQDDHFQIZIVNFV-GXDHUFHOSA-N -1 3 348.431 3.801 20 30 EHEDHM C=C[C@H](C(=O)[O-])N(C)Cc1ccccc1Oc1ccc(C)cc1OC ZINC001573345169 962928380 /nfs/dbraw/zinc/92/83/80/962928380.db2.gz 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[O-]c1ccc(Cl)cc1/C=N\CCOc1ccc(C(F)(F)F)cn1 ZINC000760212064 1035581995 /nfs/dbraw/zinc/58/19/95/1035581995.db2.gz POSJYDGGZYJECW-ZBKNUEDVSA-N -1 3 344.720 3.957 20 30 EHEDHM N#Cc1cc([O-])cc(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)c1 ZINC000589168806 1036270879 /nfs/dbraw/zinc/27/08/79/1036270879.db2.gz FFWNMNNKAKQFEJ-UHFFFAOYSA-N -1 3 344.330 3.652 20 30 EHEDHM Cc1occc1C([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000129673387 1036387983 /nfs/dbraw/zinc/38/79/83/1036387983.db2.gz CJQNYEDGOLWVTG-LLVKDONJSA-N -1 3 337.162 3.856 20 30 EHEDHM Cc1occc1C([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000129673614 1036389139 /nfs/dbraw/zinc/38/91/39/1036389139.db2.gz CJQNYEDGOLWVTG-NSHDSACASA-N -1 3 337.162 3.856 20 30 EHEDHM CCc1cc(C#N)c([N-]C(=O)c2cnc([C@H]3CCCO3)s2)s1 ZINC000089778066 1036632234 /nfs/dbraw/zinc/63/22/34/1036632234.db2.gz UZMGGYKRRWXXIC-LLVKDONJSA-N -1 3 333.438 3.742 20 30 EHEDHM C=CCN(C(=O)c1cc(OC)ccc1[O-])c1nc2c(s1)CCCC2 ZINC000539880961 1037320498 /nfs/dbraw/zinc/32/04/98/1037320498.db2.gz HHBYPOAKHQYVOU-UHFFFAOYSA-N -1 3 344.436 3.569 20 30 EHEDHM CCO[C@H](C)c1ncc(C(=O)[N-]c2sc3c(c2C#N)CCC3)s1 ZINC000443813845 1037596175 /nfs/dbraw/zinc/59/61/75/1037596175.db2.gz HSBBQAMMVPIZHY-SECBINFHSA-N -1 3 347.465 3.915 20 30 EHEDHM CCC1(CC)CCCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000598215817 1037980691 /nfs/dbraw/zinc/98/06/91/1037980691.db2.gz NMEOAMGTXCZTBK-UHFFFAOYSA-N -1 3 343.471 3.637 20 30 EHEDHM COc1cc(C([O-])=C(C#N)c2nc(C)cs2)ccc1OC(C)C ZINC000041520265 1038116310 /nfs/dbraw/zinc/11/63/10/1038116310.db2.gz RVOTTXWTULEFOV-CYBMUJFWSA-N -1 3 330.409 3.737 20 30 EHEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(Br)cc1C(C)C ZINC000416956025 1039250138 /nfs/dbraw/zinc/25/01/38/1039250138.db2.gz MWNGGQSIRWIJAK-LLVKDONJSA-N -1 3 345.262 3.616 20 30 EHEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc3c(c2)COC3)s1 ZINC000584697162 1039553233 /nfs/dbraw/zinc/55/32/33/1039553233.db2.gz MZABIVWTZRAXSX-CQSZACIVSA-N -1 3 326.421 3.961 20 30 EHEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cccc(CC)c1[O-] ZINC000553114534 1039787064 /nfs/dbraw/zinc/78/70/64/1039787064.db2.gz MAOPRBHGVCNMSC-UHFFFAOYSA-N -1 3 341.455 3.951 20 30 EHEDHM CC(C)c1ccc(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)c([O-])c1 ZINC000912931245 1040461120 /nfs/dbraw/zinc/46/11/20/1040461120.db2.gz HPBGHFZIQCZZNV-UHFFFAOYSA-N -1 3 349.434 3.802 20 30 EHEDHM CC(C)(C)Oc1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)nc1 ZINC000344641347 1044219719 /nfs/dbraw/zinc/21/97/19/1044219719.db2.gz ULYXEBHICSOWGW-ZDUSSCGKSA-N -1 3 334.379 3.625 20 30 EHEDHM Cc1ncc(CO)c(C=Nc2ccc3oc(C(C)C)nc3c2)c1[O-] ZINC000914702388 1120955950 /nfs/dbraw/zinc/95/59/50/1120955950.db2.gz DJVUUNVRYNVZKK-UHFFFAOYSA-N -1 3 325.368 3.603 20 30 EHEDHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(C)c2C#N)c1 ZINC000761966530 1121021695 /nfs/dbraw/zinc/02/16/95/1121021695.db2.gz YRTFWVIOAUYJML-UHFFFAOYSA-N -1 3 348.811 3.524 20 30 EHEDHM COc1cc2c(cc1/C=C\C(=O)c1ccc([O-])c(OC)c1)O[C@H](C)C2 ZINC000916549644 1122198477 /nfs/dbraw/zinc/19/84/77/1122198477.db2.gz WIWONELOLIDMRP-FOQNGQEVSA-N -1 3 340.375 3.629 20 30 EHEDHM Cc1ccc2[nH]cc(CCC(=O)Nc3nnc(C(F)(F)F)[n-]3)c2c1 ZINC000073028469 1123183496 /nfs/dbraw/zinc/18/34/96/1123183496.db2.gz VMNDNHHSESATEQ-UHFFFAOYSA-N -1 3 337.305 3.834 20 30 EHEDHM Cc1ccc2[nH]cc(CCC(=O)Nc3nc(C(F)(F)F)n[n-]3)c2c1 ZINC000073028469 1123183498 /nfs/dbraw/zinc/18/34/98/1123183498.db2.gz VMNDNHHSESATEQ-UHFFFAOYSA-N -1 3 337.305 3.834 20 30 EHEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)CC(C)(C)c2ccccc2)c1[O-] ZINC000920991012 1123444811 /nfs/dbraw/zinc/44/48/11/1123444811.db2.gz MXTBZKFQIJHSLO-HKMXWPIPSA-N -1 3 326.440 3.763 20 30 EHEDHM C#C[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1 ZINC001212291035 1124095722 /nfs/dbraw/zinc/09/57/22/1124095722.db2.gz FUAVIVYGJUGJIQ-JTQLQIEISA-N -1 3 346.260 3.708 20 30 EHEDHM C=CCCC[C@H](C)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000181389226 1124802252 /nfs/dbraw/zinc/80/22/52/1124802252.db2.gz YLMFKWWBFQVUIN-NSHDSACASA-N -1 3 341.249 3.699 20 30 EHEDHM N#Cc1ccccc1S(=O)(=O)[N-]c1cc(Cl)ccc1Cl ZINC000021519071 1129722425 /nfs/dbraw/zinc/72/24/25/1129722425.db2.gz SJBKNJDXJSCSIV-UHFFFAOYSA-N -1 3 327.192 3.666 20 30 EHEDHM COc1cc(/C=C2\COc3ccc(F)cc3C2=O)cc(Cl)c1[O-] ZINC000731565338 1130811916 /nfs/dbraw/zinc/81/19/16/1130811916.db2.gz LGIRQOJRZUFLRQ-ONNFQVAWSA-N -1 3 334.730 3.852 20 30 EHEDHM CCCCN(C)c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000731784886 1130846823 /nfs/dbraw/zinc/84/68/23/1130846823.db2.gz KDOVJKFFCMJWCI-UHFFFAOYSA-N -1 3 343.452 3.595 20 30 EHEDHM O=C1[C@H](/N=C/c2cc(Cl)ccc2[O-])CCN1c1ccc(Cl)cc1 ZINC000739426537 1131502041 /nfs/dbraw/zinc/50/20/41/1131502041.db2.gz NACIEYUXWXPJLD-IXJMWADBSA-N -1 3 349.217 3.923 20 30 EHEDHM CCc1cc2c(CN(CCC#N)CCC(C)C)cc(=O)oc2cc1[O-] ZINC000744405576 1132089556 /nfs/dbraw/zinc/08/95/56/1132089556.db2.gz SRVRXYOSSQEZAL-UHFFFAOYSA-N -1 3 342.439 3.823 20 30 EHEDHM N#Cc1ccc([O-])c(Nc2ccc(C(=O)NCc3ccco3)cc2)c1 ZINC001174157105 1132259062 /nfs/dbraw/zinc/25/90/62/1132259062.db2.gz WRDYAPNUFFHXCK-UHFFFAOYSA-N -1 3 333.347 3.530 20 30 EHEDHM CC(=NNC(=S)Nc1ccccn1)c1ccc2ccccc2c1[O-] ZINC000767803698 1133056405 /nfs/dbraw/zinc/05/64/05/1133056405.db2.gz HHUIZPQFJHIJLT-UHFFFAOYSA-N -1 3 336.420 3.651 20 30 EHEDHM CC(=NNCc1ccc(C#N)cc1)c1ccc(Br)cc1[O-] ZINC000769823599 1133344407 /nfs/dbraw/zinc/34/44/07/1133344407.db2.gz UYQCWPOLBRRWFM-UHFFFAOYSA-N -1 3 344.212 3.540 20 30 EHEDHM N#Cc1cc(NC(=O)Cn2ccc3ccc(Cl)cc32)ccc1[O-] ZINC001180974227 1133438696 /nfs/dbraw/zinc/43/86/96/1133438696.db2.gz WNQWFGVMRFSEKQ-UHFFFAOYSA-N -1 3 325.755 3.511 20 30 EHEDHM COc1ccc2cccc(CC(=O)Nc3ccc([O-])c(C#N)c3)c2c1 ZINC001181237732 1133473282 /nfs/dbraw/zinc/47/32/82/1133473282.db2.gz DQJIDRGOWFCQOU-UHFFFAOYSA-N -1 3 332.359 3.607 20 30 EHEDHM CC1(C)C[C@@H](C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CCO1 ZINC001184246866 1133914983 /nfs/dbraw/zinc/91/49/83/1133914983.db2.gz RDSUBPBPRFJUMB-NSHDSACASA-N -1 3 332.227 3.916 20 30 EHEDHM C[C@]1(C(=O)N([O-])CCCCc2ccccc2)CCOc2ccccc21 ZINC001184305437 1133918675 /nfs/dbraw/zinc/91/86/75/1133918675.db2.gz JXXLIKAXNCRSPJ-NRFANRHFSA-N -1 3 339.435 3.968 20 30 EHEDHM CC1(C)OC(=O)c2c1cccc2C(=O)N([O-])Cc1ccccc1Cl ZINC001184284037 1133923391 /nfs/dbraw/zinc/92/33/91/1133923391.db2.gz WYSZMFSQXLGLJQ-UHFFFAOYSA-N -1 3 345.782 3.777 20 30 EHEDHM C[C@@H](Sc1ccccn1)C(=O)N([O-])CCCCc1ccccc1 ZINC001184293091 1133925276 /nfs/dbraw/zinc/92/52/76/1133925276.db2.gz DTYLEHFGHFNKDC-OAHLLOKOSA-N -1 3 330.453 3.803 20 30 EHEDHM O=C(C[C@@H]1OCCc2ccccc21)N([O-])CCCCc1ccccc1 ZINC001184293553 1133925625 /nfs/dbraw/zinc/92/56/25/1133925625.db2.gz YFTDSHHJQZVKHN-FQEVSTJZSA-N -1 3 339.435 3.931 20 30 EHEDHM N#Cc1ccc(F)c(COC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000787847385 1134047515 /nfs/dbraw/zinc/04/75/15/1134047515.db2.gz DUPKDRRJJWJHRC-UHFFFAOYSA-N -1 3 331.318 3.608 20 30 EHEDHM COc1cc(/C=C2/CCc3cc(C#N)cnc3C2=O)cc(Cl)c1[O-] ZINC000788356280 1134115630 /nfs/dbraw/zinc/11/56/30/1134115630.db2.gz LTFLXHAYMHPAST-PQMHYQBVSA-N -1 3 340.766 3.533 20 30 EHEDHM Cc1ccc(C)n1-c1ccc([O-])c(C(=O)Nc2[nH]c(C)c(C)c2C#N)c1 ZINC001186829140 1134264130 /nfs/dbraw/zinc/26/41/30/1134264130.db2.gz JMJULPCYVNHWQB-UHFFFAOYSA-N -1 3 348.406 3.869 20 30 EHEDHM CCN(C)c1ccc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)cn1 ZINC000790215282 1134382493 /nfs/dbraw/zinc/38/24/93/1134382493.db2.gz OMWVWJFQQFYVMA-NASPGAHYSA-N -1 3 326.371 3.766 20 30 EHEDHM CCCCCCCCS(=O)(=O)[N-]c1c(F)c(F)ccc1CO ZINC001188018218 1134417397 /nfs/dbraw/zinc/41/73/97/1134417397.db2.gz ZQYFMVLCIAOJGV-UHFFFAOYSA-N -1 3 335.416 3.559 20 30 EHEDHM Cc1c(N=Cc2cc(Cl)ccc2[O-])cccc1N1CCNC1=O ZINC000775231667 1134561842 /nfs/dbraw/zinc/56/18/42/1134561842.db2.gz INQIFMOAOCHLFE-UHFFFAOYSA-N -1 3 329.787 3.634 20 30 EHEDHM N#CCc1cccc(NC(=O)c2cccc(OC(F)(F)F)c2[O-])c1 ZINC001189766772 1134624924 /nfs/dbraw/zinc/62/49/24/1134624924.db2.gz QUCNAHBAMKNFQY-UHFFFAOYSA-N -1 3 336.269 3.609 20 30 EHEDHM N#Cc1cc(NC(=O)c2ncc(Cl)cc2C(F)(F)F)ccc1[O-] ZINC001190712990 1134737483 /nfs/dbraw/zinc/73/74/83/1134737483.db2.gz LTSYLPNIPWKLCQ-UHFFFAOYSA-N -1 3 341.676 3.583 20 30 EHEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccn1 ZINC000793123699 1134851607 /nfs/dbraw/zinc/85/16/07/1134851607.db2.gz JBHFMEIMANSVSG-LBPRGKRZSA-N -1 3 348.189 3.658 20 30 EHEDHM CCc1ccc([C@H](C/N=C/c2cc([N+](=O)[O-])ccc2[O-])N(C)C)cc1 ZINC000005292382 1134920628 /nfs/dbraw/zinc/92/06/28/1134920628.db2.gz BIUSBWIFKPMUOV-TYJAPOHBSA-N -1 3 341.411 3.585 20 30 EHEDHM COc1ccc(/C=C/c2ccc([N-]S(=O)(=O)[C@H](C)C#N)cc2)cc1 ZINC001193157099 1135110489 /nfs/dbraw/zinc/11/04/89/1135110489.db2.gz AILUXNUSIDGAIK-RDFMZFSFSA-N -1 3 342.420 3.519 20 30 EHEDHM CSc1ccc(-c2cccc([N-]S(=O)(=O)[C@H](C)C#N)c2)cc1 ZINC001193159010 1135111345 /nfs/dbraw/zinc/11/13/45/1135111345.db2.gz YIXRHIGCLXMMDY-GFCCVEGCSA-N -1 3 332.450 3.729 20 30 EHEDHM N#CCCCCCC(=O)[N-]OCc1ccc(F)cc1Br ZINC000805201843 1135240610 /nfs/dbraw/zinc/24/06/10/1135240610.db2.gz RMFLUWAATCEOPN-UHFFFAOYSA-N -1 3 343.196 3.610 20 30 EHEDHM [O-]c1ccc(CN=Nc2nccnc2C2CCC2)cc1Br ZINC000807993032 1135601296 /nfs/dbraw/zinc/60/12/96/1135601296.db2.gz RHKINTYAGPOCGJ-UHFFFAOYSA-N -1 3 347.216 3.658 20 30 EHEDHM C#C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000812353031 1136197222 /nfs/dbraw/zinc/19/72/22/1136197222.db2.gz ZHDNJJMJLKTYHC-KRWDZBQOSA-N -1 3 345.801 3.998 20 30 EHEDHM C[C@@H](/N=C\c1cc(Cl)ccc1[O-])c1ncc(Br)cn1 ZINC000814183067 1136418275 /nfs/dbraw/zinc/41/82/75/1136418275.db2.gz CTBCOTFWCANKSB-BOCQLUCNSA-N -1 3 340.608 3.778 20 30 EHEDHM C[C@H]1C(N=Nc2cccc(C(=O)[O-])c2)CCCN1Cc1ccccc1 ZINC000814687937 1136494424 /nfs/dbraw/zinc/49/44/24/1136494424.db2.gz YCVAANDFVPSRAL-HNNXBMFYSA-N -1 3 337.423 3.837 20 30 EHEDHM C=CCC(F)(F)C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000815314466 1136580985 /nfs/dbraw/zinc/58/09/85/1136580985.db2.gz UHAVAWNFSNTTIV-QMMMGPOBSA-N -1 3 342.367 3.829 20 30 EHEDHM CCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)s1 ZINC000748003560 1136604419 /nfs/dbraw/zinc/60/44/19/1136604419.db2.gz CNJGYTFLCMVNOK-GFCCVEGCSA-N -1 3 347.827 3.629 20 30 EHEDHM C=CCC(F)(F)C(=O)[N-][C@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000815766421 1136637416 /nfs/dbraw/zinc/63/74/16/1136637416.db2.gz ZEFIVRZLKYCBMU-SECBINFHSA-N -1 3 341.745 3.779 20 30 EHEDHM C=CCCO[N-]C(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000856033001 1136751014 /nfs/dbraw/zinc/75/10/14/1136751014.db2.gz VILQKDDBQXLCKH-ZBFHGGJFSA-N -1 3 348.443 3.512 20 30 EHEDHM N#CCc1ccsc1C(=O)Nc1ccc(Br)cc1[O-] ZINC001136219929 1136942653 /nfs/dbraw/zinc/94/26/53/1136942653.db2.gz IUTUIIHFBXTATD-UHFFFAOYSA-N -1 3 337.198 3.535 20 30 EHEDHM CC(C)Oc1cccc([C@H](O)C/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000116608563 1137008344 /nfs/dbraw/zinc/00/83/44/1137008344.db2.gz GOCBBQWHZPWXSY-SVYXSEEQSA-N -1 3 333.815 3.985 20 30 EHEDHM CCc1ccc([C@H](O)C/N=C/c2cc(Br)ccc2[O-])cc1 ZINC000794682208 1137226171 /nfs/dbraw/zinc/22/61/71/1137226171.db2.gz UCUIJOPTTXCUEQ-OXNWSPOFSA-N -1 3 348.240 3.870 20 30 EHEDHM C=C[C@@H](C)O[N-]C(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000844510493 1137227983 /nfs/dbraw/zinc/22/79/83/1137227983.db2.gz APKLJSXOCFXCJL-LKBWSCCASA-N -1 3 348.472 3.634 20 30 EHEDHM N#CC(=C([O-])C=CC1CCCCCC1)c1nnc2n1CCCCC2 ZINC000845445288 1137292408 /nfs/dbraw/zinc/29/24/08/1137292408.db2.gz IAHHWYDVNBPGAN-JNSOCZORSA-N -1 3 326.444 3.707 20 30 EHEDHM N#CCCC[C@H](NCc1nnc(-c2ccccc2[O-])o1)c1ccccc1 ZINC000878648438 1137723598 /nfs/dbraw/zinc/72/35/98/1137723598.db2.gz OBSPIDDCLABJFG-KRWDZBQOSA-N -1 3 348.406 3.967 20 30 EHEDHM COc1cc(C(=O)/C=C/C=C/c2ccccc2[N+](=O)[O-])ccc1[O-] ZINC000131120499 1137846448 /nfs/dbraw/zinc/84/64/48/1137846448.db2.gz CGZIRJHVVCLCBD-DLYLGUBQSA-N -1 3 325.320 3.761 20 30 EHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(C(F)F)cc3)nc1-2 ZINC000429574233 1139992027 /nfs/dbraw/zinc/99/20/27/1139992027.db2.gz GBFVCUQXFBVMDY-GFCCVEGCSA-N -1 3 326.306 3.694 20 30 EHEDHM CCCCCCCCn1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1 ZINC000736449547 598825224 /nfs/dbraw/zinc/82/52/24/598825224.db2.gz YSHFMFBEJXQALF-UHFFFAOYSA-N -1 3 339.447 3.794 20 30 EHEDHM CCCCCCCCn1c(C)nnc1-c1cccc(-c2nn[n-]n2)c1 ZINC000736449547 598825225 /nfs/dbraw/zinc/82/52/25/598825225.db2.gz YSHFMFBEJXQALF-UHFFFAOYSA-N -1 3 339.447 3.794 20 30 EHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1cccc(Cl)c1 ZINC000823503328 599114265 /nfs/dbraw/zinc/11/42/65/599114265.db2.gz CXSRIFDPRYATNY-JYRVWZFOSA-N -1 3 336.782 3.733 20 30 EHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1cccc(Cl)c1 ZINC000823503328 599114268 /nfs/dbraw/zinc/11/42/68/599114268.db2.gz CXSRIFDPRYATNY-JYRVWZFOSA-N -1 3 336.782 3.733 20 30 EHEDHM C[C@H](SCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(C#N)cc1 ZINC000736191060 599330505 /nfs/dbraw/zinc/33/05/05/599330505.db2.gz VOOYFXADMUTTQF-NSHDSACASA-N -1 3 339.399 3.872 20 30 EHEDHM C[C@H](SCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(C#N)cc1 ZINC000736191060 599330508 /nfs/dbraw/zinc/33/05/08/599330508.db2.gz VOOYFXADMUTTQF-NSHDSACASA-N -1 3 339.399 3.872 20 30 EHEDHM CC(C)(C)c1ncc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000735655457 599457664 /nfs/dbraw/zinc/45/76/64/599457664.db2.gz PPELCIKJWAELPH-CMDGGOBGSA-N -1 3 339.424 3.517 20 30 EHEDHM CC(C)(C)c1ncc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000735655457 599457666 /nfs/dbraw/zinc/45/76/66/599457666.db2.gz PPELCIKJWAELPH-CMDGGOBGSA-N -1 3 339.424 3.517 20 30 EHEDHM CCN(CC)c1ccc(/C=[NH+]/[C@H](CC(=O)[O-])c2ccccc2)c([O-])c1 ZINC000737088421 600494174 /nfs/dbraw/zinc/49/41/74/600494174.db2.gz MADFEMDRCWTDBB-ALDSOSFCSA-N -1 3 340.423 3.873 20 30 EHEDHM CCCOc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737030720 600596773 /nfs/dbraw/zinc/59/67/73/600596773.db2.gz CASNNMSUTNLHOA-KUHUBIRLSA-N -1 3 338.407 3.824 20 30 EHEDHM N#Cc1ccc(-c2cccc(CN[C@H](C(=O)[O-])c3cccnc3)c2)s1 ZINC000833070820 605003304 /nfs/dbraw/zinc/00/33/04/605003304.db2.gz UFGVNRJFQOGBTG-SFHVURJKSA-N -1 3 349.415 3.597 20 30 EHEDHM Clc1ccc(NN=Cc2cc(-c3nnn[n-]3)cs2)c(Cl)c1 ZINC000822578045 606204194 /nfs/dbraw/zinc/20/41/94/606204194.db2.gz ATYMXSIXERKDBI-UHFFFAOYSA-N -1 3 339.211 3.681 20 30 EHEDHM Clc1ccc(NN=Cc2cc(-c3nn[n-]n3)cs2)c(Cl)c1 ZINC000822578045 606204195 /nfs/dbraw/zinc/20/41/95/606204195.db2.gz ATYMXSIXERKDBI-UHFFFAOYSA-N -1 3 339.211 3.681 20 30 EHEDHM CC(C)Oc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000820155543 606303249 /nfs/dbraw/zinc/30/32/49/606303249.db2.gz RJZRAGHEMMZHQI-FPLPWBNLSA-N -1 3 340.408 3.612 20 30 EHEDHM CC(C)Oc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000820155543 606303251 /nfs/dbraw/zinc/30/32/51/606303251.db2.gz RJZRAGHEMMZHQI-FPLPWBNLSA-N -1 3 340.408 3.612 20 30 EHEDHM N#Cc1cc(Cl)ccc1SCc1cccc(-c2nnn[n-]2)c1 ZINC000822819309 606629484 /nfs/dbraw/zinc/62/94/84/606629484.db2.gz OQHNXZYVDPZFOB-UHFFFAOYSA-N -1 3 327.800 3.684 20 30 EHEDHM N#Cc1cc(Cl)ccc1SCc1cccc(-c2nn[n-]n2)c1 ZINC000822819309 606629485 /nfs/dbraw/zinc/62/94/85/606629485.db2.gz OQHNXZYVDPZFOB-UHFFFAOYSA-N -1 3 327.800 3.684 20 30 EHEDHM O=C1c2cccc3c2[C@@H](CCC3)C1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000826475413 608109612 /nfs/dbraw/zinc/10/96/12/608109612.db2.gz FTESXBTYQQLOOO-PBTLCFMXSA-N -1 3 334.404 3.628 20 30 EHEDHM O=C1c2cccc3c2[C@@H](CCC3)C1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000826475413 608109613 /nfs/dbraw/zinc/10/96/13/608109613.db2.gz FTESXBTYQQLOOO-PBTLCFMXSA-N -1 3 334.404 3.628 20 30 EHEDHM O=C1c2cccc3c2[C@@H](CCC3)C1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826475834 608109666 /nfs/dbraw/zinc/10/96/66/608109666.db2.gz SKJUCSQPTPECHT-VUVCFOEZSA-N -1 3 328.375 3.567 20 30 EHEDHM O=C1c2cccc3c2[C@@H](CCC3)C1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826475834 608109667 /nfs/dbraw/zinc/10/96/67/608109667.db2.gz SKJUCSQPTPECHT-VUVCFOEZSA-N -1 3 328.375 3.567 20 30 EHEDHM N#Cc1ccc(F)c(CSc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000826385323 608206511 /nfs/dbraw/zinc/20/65/11/608206511.db2.gz HEJGJFICPOSNGT-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM N#Cc1ccc(F)c(CSc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000826385323 608206512 /nfs/dbraw/zinc/20/65/12/608206512.db2.gz HEJGJFICPOSNGT-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM N#Cc1cccc(CSc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000826386941 608207546 /nfs/dbraw/zinc/20/75/46/608207546.db2.gz ZCNQIVQULRLRDK-UHFFFAOYSA-N -1 3 327.800 3.684 20 30 EHEDHM N#Cc1cccc(CSc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000826386941 608207547 /nfs/dbraw/zinc/20/75/47/608207547.db2.gz ZCNQIVQULRLRDK-UHFFFAOYSA-N -1 3 327.800 3.684 20 30 EHEDHM CC1(C)c2ccccc2C(=O)C1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000824784638 608875656 /nfs/dbraw/zinc/87/56/56/608875656.db2.gz XYCUNJURSMHMLX-GDNBJRDFSA-N -1 3 334.354 3.563 20 30 EHEDHM CC1(C)c2ccccc2C(=O)C1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824784638 608875659 /nfs/dbraw/zinc/87/56/59/608875659.db2.gz XYCUNJURSMHMLX-GDNBJRDFSA-N -1 3 334.354 3.563 20 30 EHEDHM O=C(C=CC=Cc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400038 609270411 /nfs/dbraw/zinc/27/04/11/609270411.db2.gz NKWJHKUFZRJRRI-ZPUQHVIOSA-N -1 3 338.317 3.597 20 30 EHEDHM O=C(C=CC=Cc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400038 609270413 /nfs/dbraw/zinc/27/04/13/609270413.db2.gz NKWJHKUFZRJRRI-ZPUQHVIOSA-N -1 3 338.317 3.597 20 30 EHEDHM O=C(C=Cc1cccc(Cl)c1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400652 609274708 /nfs/dbraw/zinc/27/47/08/609274708.db2.gz DNCACDFVVFLZQV-ALCCZGGFSA-N -1 3 346.724 3.694 20 30 EHEDHM O=C(C=Cc1cccc(Cl)c1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400652 609274709 /nfs/dbraw/zinc/27/47/09/609274709.db2.gz DNCACDFVVFLZQV-ALCCZGGFSA-N -1 3 346.724 3.694 20 30 EHEDHM C=CCCCSc1nc(C)cc(C(F)(F)F)c1-c1nnn[n-]1 ZINC000735413147 944646977 /nfs/dbraw/zinc/64/69/77/944646977.db2.gz OXZVBJFVKWMEFO-UHFFFAOYSA-N -1 3 329.351 3.647 20 30 EHEDHM CCSc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825674905 947285379 /nfs/dbraw/zinc/28/53/79/947285379.db2.gz UNOJPOSPRHHHAU-XGICHPGQSA-N -1 3 336.420 3.875 20 30 EHEDHM CCSc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825674905 947285391 /nfs/dbraw/zinc/28/53/91/947285391.db2.gz UNOJPOSPRHHHAU-XGICHPGQSA-N -1 3 336.420 3.875 20 30 EHEDHM C=CCCCCCCCCNC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC001573334668 947461743 /nfs/dbraw/zinc/46/17/43/947461743.db2.gz HQWZLTDKZIPBLA-UHFFFAOYSA-N -1 3 333.461 3.575 20 30 EHEDHM C=CCCCCCCCCNC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC001573334668 947461747 /nfs/dbraw/zinc/46/17/47/947461747.db2.gz HQWZLTDKZIPBLA-UHFFFAOYSA-N -1 3 333.461 3.575 20 30 EHEDHM O=C(C=Cc1c(F)cccc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000826400449 948217273 /nfs/dbraw/zinc/21/72/73/948217273.db2.gz ZHBHRLDKAWJYPT-FPLPWBNLSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1c(F)cccc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000826400449 948217281 /nfs/dbraw/zinc/21/72/81/948217281.db2.gz ZHBHRLDKAWJYPT-FPLPWBNLSA-N -1 3 328.734 3.555 20 30 EHEDHM C[C@@H](CC(C)(C)C#N)N[C@@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC001592440504 978097787 /nfs/dbraw/zinc/09/77/87/978097787.db2.gz ZYPYTKHUGLXMNN-GXFFZTMASA-N -1 3 344.333 3.629 20 30 EHEDHM C=CCCCN(CC)Cc1ccc(C(=O)[O-])cc1Br ZINC000903960800 981076120 /nfs/dbraw/zinc/07/61/20/981076120.db2.gz AREAKWJLPVCZPE-UHFFFAOYSA-N -1 3 326.234 3.935 20 30 EHEDHM C=CCN(Cc1ccc(OC)cc1)Cc1ccc(C)c(C(=O)[O-])c1 ZINC001588832799 984326751 /nfs/dbraw/zinc/32/67/51/984326751.db2.gz QPDAPKXTFYVNLF-UHFFFAOYSA-N -1 3 325.408 3.890 20 30 EHEDHM C=CCOc1ccc(CN(C)Cc2ccc(C(=O)[O-])cc2)cc1OC ZINC001588873650 984444704 /nfs/dbraw/zinc/44/47/04/984444704.db2.gz FBFHPMOQFDZYRP-UHFFFAOYSA-N -1 3 341.407 3.590 20 30 EHEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000134453981 1015539501 /nfs/dbraw/zinc/53/95/01/1015539501.db2.gz PXWIHPCIJVUHIJ-MGPPHUSPSA-N -1 3 328.170 3.991 20 30 EHEDHM CC(C)[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1F ZINC001591024860 991321323 /nfs/dbraw/zinc/32/13/23/991321323.db2.gz ZJYAWGHXALZULX-QZTJIDSGSA-N -1 3 326.371 3.810 20 30 EHEDHM COc1cccc(-c2n[nH]cc2C=CC(=O)c2ccc([O-])c(C)c2)c1 ZINC000728231107 1016264525 /nfs/dbraw/zinc/26/45/25/1016264525.db2.gz HYCINGOAHFKVMY-VQHVLOKHSA-N -1 3 334.375 3.995 20 30 EHEDHM Cc1ncccc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000178317796 1016595925 /nfs/dbraw/zinc/59/59/25/1016595925.db2.gz MKJWCYSVAYXXMA-GFCCVEGCSA-N -1 3 326.306 3.625 20 30 EHEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000163662337 1017084888 /nfs/dbraw/zinc/08/48/88/1017084888.db2.gz JSFDNWMGGAFLCA-UHFFFAOYSA-N -1 3 341.386 3.523 20 30 EHEDHM COC(=O)c1cc(C)c(C(=O)[N-]c2scc(C(C)(C)C)c2C#N)o1 ZINC000891145689 1018363562 /nfs/dbraw/zinc/36/35/62/1018363562.db2.gz OGDAMTOPHCESBX-UHFFFAOYSA-N -1 3 346.408 3.858 20 30 EHEDHM COc1ccc(C=NN[C@@H](C)c2ccccc2)c(Br)c1[O-] ZINC000761014426 1032811110 /nfs/dbraw/zinc/81/11/10/1032811110.db2.gz YGYGZAMZEJCQRZ-NSHDSACASA-N -1 3 349.228 3.848 20 30 EHEDHM COc1ccc(C=NOCc2ccccc2)c(Br)c1[O-] ZINC000761014499 1032813275 /nfs/dbraw/zinc/81/32/75/1032813275.db2.gz GKTFHRFSRQKCLR-UHFFFAOYSA-N -1 3 336.185 3.714 20 30 EHEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c(C)c1 ZINC000593187798 1032824596 /nfs/dbraw/zinc/82/45/96/1032824596.db2.gz PUTOWINWZZKQJY-UHFFFAOYSA-N -1 3 328.437 3.905 20 30 EHEDHM Cc1cc(C([O-])=C(C#N)c2ccncn2)c(C)n1-c1cc(C)cc(C)c1 ZINC000760356204 1032895684 /nfs/dbraw/zinc/89/56/84/1032895684.db2.gz FYFNSLKAVIDBSH-IBGZPJMESA-N -1 3 344.418 3.991 20 30 EHEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000341535241 1022160093 /nfs/dbraw/zinc/16/00/93/1022160093.db2.gz RXARENTULSWPPS-AEFFLSMTSA-N -1 3 340.810 3.958 20 30 EHEDHM C=CCOc1ccc(CNCc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000426713407 1022981193 /nfs/dbraw/zinc/98/11/93/1022981193.db2.gz GDFJLWBPDLXNDR-UHFFFAOYSA-N -1 3 331.799 3.893 20 30 EHEDHM COCCCOc1cccc(/C=C\C(=O)c2ccc([O-])c(OC)c2)c1 ZINC000255450486 1024574721 /nfs/dbraw/zinc/57/47/21/1024574721.db2.gz IQCXVNGHOTYKIM-CLFYSBASSA-N -1 3 342.391 3.712 20 30 EHEDHM COCc1nocc1C(=O)[N-]c1sc2c(c1C#N)[C@H](C)C[C@H](C)C2 ZINC000425605711 1026026681 /nfs/dbraw/zinc/02/66/81/1026026681.db2.gz LNUUJJRINGIPAK-VHSXEESVSA-N -1 3 345.424 3.692 20 30 EHEDHM [O-]c1c(O)ccc(C=Nc2cc(Br)c(F)cc2F)c1O ZINC000588554852 1027965338 /nfs/dbraw/zinc/96/53/38/1027965338.db2.gz UEQYYNVTNLLFTE-UHFFFAOYSA-N -1 3 344.111 3.595 20 30 EHEDHM CSc1ccc(O[C@H](C)C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000076989459 1029069557 /nfs/dbraw/zinc/06/95/57/1029069557.db2.gz QTBNSFDJVKUGPP-SNVBAGLBSA-N -1 3 344.396 3.842 20 30 EHEDHM CC#CC[C@@H](NCc1c(Cl)cccc1SC(C)C)C(=O)[O-] ZINC000904057667 1031682000 /nfs/dbraw/zinc/68/20/00/1031682000.db2.gz XXZADXLAYHDDME-CQSZACIVSA-N -1 3 325.861 3.797 20 30 EHEDHM CC#CC[C@H](NCc1cc(Cl)c(OC(C)C)cc1Cl)C(=O)[O-] ZINC000904057105 1031682086 /nfs/dbraw/zinc/68/20/86/1031682086.db2.gz DRSGRWXVKFKDCN-AWEZNQCLSA-N -1 3 344.238 3.737 20 30 EHEDHM C=CCCC[C@@H](C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1)c1ccccc1 ZINC000898226924 1033411547 /nfs/dbraw/zinc/41/15/47/1033411547.db2.gz OALZIQCSFGJODJ-DLBZAZTESA-N -1 3 339.439 3.571 20 30 EHEDHM O=C1[C@@H](/N=C\c2cc(Cl)ccc2[O-])CCCN1c1ccccc1F ZINC000761181735 1034266705 /nfs/dbraw/zinc/26/67/05/1034266705.db2.gz QBIJJUKBAQVVNM-SYZMQFJCSA-N -1 3 346.789 3.799 20 30 EHEDHM CCOc1cc(/C=C\C(=O)c2cccnc2)cc(Br)c1[O-] ZINC000255884868 1035424059 /nfs/dbraw/zinc/42/40/59/1035424059.db2.gz UOUPSIQDZZFQBF-WAYWQWQTSA-N -1 3 348.196 3.845 20 30 EHEDHM N#Cc1ccc(Oc2ccc(C(=O)Nc3cccc([O-])c3F)cc2)nc1 ZINC000534944349 1035821385 /nfs/dbraw/zinc/82/13/85/1035821385.db2.gz HCKOJJWNLNTIAX-UHFFFAOYSA-N -1 3 349.321 3.843 20 30 EHEDHM COc1cc(C(=O)/C=C\c2ccc(F)c(C#N)c2Cl)ccc1[O-] ZINC000761478304 1036166396 /nfs/dbraw/zinc/16/63/96/1036166396.db2.gz PGMBYGSTMHJIGL-UTCJRWHESA-N -1 3 331.730 3.961 20 30 EHEDHM Cc1csc(C(C#N)=C([O-])c2ccc(N3CCCCC3)cc2)n1 ZINC000180774094 1037170930 /nfs/dbraw/zinc/17/09/30/1037170930.db2.gz KLSNQOYFHSOQRG-INIZCTEOSA-N -1 3 325.437 3.932 20 30 EHEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc3c(c2)COC3)s1 ZINC000584697161 1039552755 /nfs/dbraw/zinc/55/27/55/1039552755.db2.gz MZABIVWTZRAXSX-AWEZNQCLSA-N -1 3 326.421 3.961 20 30 EHEDHM O=C([O-])C[C@@H](CNCc1cc(C(F)(F)F)ccc1F)C(F)(F)F ZINC000417633895 1040093159 /nfs/dbraw/zinc/09/31/59/1040093159.db2.gz UZICQNAXXBYXIY-VIFPVBQESA-N -1 3 347.230 3.587 20 30 EHEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(-c2ccc(F)cc2)o1 ZINC000029388950 1040567269 /nfs/dbraw/zinc/56/72/69/1040567269.db2.gz JCDRZVNCPCTICS-UHFFFAOYSA-N -1 3 340.236 3.859 20 30 EHEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(-c2ccc(F)cc2)o1 ZINC000029388950 1040567280 /nfs/dbraw/zinc/56/72/80/1040567280.db2.gz JCDRZVNCPCTICS-UHFFFAOYSA-N -1 3 340.236 3.859 20 30 EHEDHM COC(=O)c1oc(C(=O)[N-]c2ccccc2SCCC#N)cc1C ZINC001126052631 1042025440 /nfs/dbraw/zinc/02/54/40/1042025440.db2.gz BKOGTZIZSUOHFH-UHFFFAOYSA-N -1 3 344.392 3.633 20 30 EHEDHM CCC(=NNC(=S)Nc1ccccc1OC)c1ccc([O-])c(F)c1 ZINC000764657598 1127517772 /nfs/dbraw/zinc/51/77/72/1127517772.db2.gz AVNZEPHOENLSAX-UHFFFAOYSA-N -1 3 347.415 3.641 20 30 EHEDHM O=C([C@@H]1CCCN1c1ccccc1)N([O-])CCCCc1ccccc1 ZINC001649051609 1128026133 /nfs/dbraw/zinc/02/61/33/1128026133.db2.gz CXLHVNOHCZRJRE-FQEVSTJZSA-N -1 3 338.451 3.896 20 30 EHEDHM O=C(c1ccc2[nH]cnc2c1F)N([O-])Cc1cccc2ccccc21 ZINC001649070381 1128136037 /nfs/dbraw/zinc/13/60/37/1128136037.db2.gz YOCYQKGPVYGYIY-UHFFFAOYSA-N -1 3 335.338 3.887 20 30 EHEDHM COc1ccc(S[C@H](C)C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000076462431 1128922072 /nfs/dbraw/zinc/92/20/72/1128922072.db2.gz MFRALRAEADHXLH-SNVBAGLBSA-N -1 3 344.396 3.842 20 30 EHEDHM Cc1ncc(CO)c(/C=N/[C@H](C)c2ccccc2OC(C)C)c1[O-] ZINC000915982249 1122007373 /nfs/dbraw/zinc/00/73/73/1122007373.db2.gz UEUGHLXYKNKAFB-WVISFHDSSA-N -1 3 328.412 3.555 20 30 EHEDHM Cc1ccccc1C1N=NC(=S)N1N=Cc1cc(Cl)ccc1[O-] ZINC000916341625 1122131363 /nfs/dbraw/zinc/13/13/63/1122131363.db2.gz HLCSEPQABNKJPB-UHFFFAOYSA-N -1 3 344.827 3.783 20 30 EHEDHM C=C[C@H](C)O[N-]C(=O)CCc1ccccc1NC(=O)OC(C)(C)C ZINC000496883633 1122199206 /nfs/dbraw/zinc/19/92/06/1122199206.db2.gz LWJWKVRFIJMPHY-ZDUSSCGKSA-N -1 3 334.416 3.589 20 30 EHEDHM COC(=O)Nc1ccc(C([O-])=C(C#N)c2ccc3ccccc3n2)cc1 ZINC000916849805 1122361563 /nfs/dbraw/zinc/36/15/63/1122361563.db2.gz SNFYDXXFMSGJAT-INIZCTEOSA-N -1 3 345.358 3.903 20 30 EHEDHM COCCOc1cccc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)c1 ZINC000917143369 1122536735 /nfs/dbraw/zinc/53/67/35/1122536735.db2.gz JBXIMKZWJVXNBX-QJMZJAKPSA-N -1 3 342.366 3.940 20 30 EHEDHM [O-]c1ccc(CN=Nc2ncccc2Cl)cc1Br ZINC000917548692 1122634976 /nfs/dbraw/zinc/63/49/76/1122634976.db2.gz DZPFDXRSGJWTII-UHFFFAOYSA-N -1 3 326.581 3.649 20 30 EHEDHM COc1cc(C(=O)/C=C\c2ccc(Cl)c([N+](=O)[O-])c2)ccc1[O-] ZINC000033474375 1122757534 /nfs/dbraw/zinc/75/75/34/1122757534.db2.gz UCFZWKRTDIYZBO-UTCJRWHESA-N -1 3 333.727 3.859 20 30 EHEDHM Cc1ccc(-c2cc(C(=O)OC[C@H](C#N)Cc3cccs3)n[n-]2)o1 ZINC000180100505 1123938155 /nfs/dbraw/zinc/93/81/55/1123938155.db2.gz POAWMLFFMUULMH-LBPRGKRZSA-N -1 3 341.392 3.579 20 30 EHEDHM Cc1ccc(-c2cc(C(=O)OC[C@H](C#N)Cc3cccs3)[n-]n2)o1 ZINC000180100505 1123938157 /nfs/dbraw/zinc/93/81/57/1123938157.db2.gz POAWMLFFMUULMH-LBPRGKRZSA-N -1 3 341.392 3.579 20 30 EHEDHM C#C[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1 ZINC001212291036 1124095939 /nfs/dbraw/zinc/09/59/39/1124095939.db2.gz FUAVIVYGJUGJIQ-SNVBAGLBSA-N -1 3 346.260 3.708 20 30 EHEDHM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619463499 1125350314 /nfs/dbraw/zinc/35/03/14/1125350314.db2.gz KNYYSBSBSGSMMI-UHFFFAOYSA-N -1 3 347.415 3.513 20 30 EHEDHM CC(C)(C)OC(=O)N1CCC[C@@H]1C/N=C/c1cc(Cl)ccc1[O-] ZINC000730733137 1130732389 /nfs/dbraw/zinc/73/23/89/1130732389.db2.gz UWSQVAZCHRLKNQ-LEBHLANCSA-N -1 3 338.835 3.864 20 30 EHEDHM [O-]c1ccc(Br)cc1/C=N/C[C@H]1OCCc2ccccc21 ZINC000733081005 1130989195 /nfs/dbraw/zinc/98/91/95/1130989195.db2.gz JRWZSBFTTDTFRP-OXNWSPOFSA-N -1 3 346.224 3.888 20 30 EHEDHM COc1cc(C=NNc2cc(F)c(F)cc2F)cc(Cl)c1[O-] ZINC000734301852 1131217282 /nfs/dbraw/zinc/21/72/82/1131217282.db2.gz SALYWVAIPXBOLD-UHFFFAOYSA-N -1 3 330.693 3.918 20 30 EHEDHM CC1(C)[C@H](/N=C/c2cc(Br)ccc2[O-])[C@@H]2CCCO[C@H]21 ZINC000741464225 1131605281 /nfs/dbraw/zinc/60/52/81/1131605281.db2.gz MMNABGAHOSMZCC-QBACMOFQSA-N -1 3 338.245 3.777 20 30 EHEDHM COc1cc(/C=C2/CCc3c(O)cccc3C2=O)cc(Cl)c1[O-] ZINC000742434542 1131730930 /nfs/dbraw/zinc/73/09/30/1131730930.db2.gz JMPWHVKDKJKCTI-XFFZJAGNSA-N -1 3 330.767 3.972 20 30 EHEDHM CC(=NNC(=S)Nc1cc(C)ccc1F)c1cc(F)ccc1[O-] ZINC000745005732 1132178854 /nfs/dbraw/zinc/17/88/54/1132178854.db2.gz JCYZYDKIJJGECO-UHFFFAOYSA-N -1 3 335.379 3.689 20 30 EHEDHM Cc1cc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)ccc1C#N ZINC000766548333 1132607624 /nfs/dbraw/zinc/60/76/24/1132607624.db2.gz OQMOERKCXCVKGL-UHFFFAOYSA-N -1 3 344.436 3.805 20 30 EHEDHM COc1cc(/C=C/C(=O)c2cscn2)cc(Br)c1[O-] ZINC000769261678 1133252261 /nfs/dbraw/zinc/25/22/61/1133252261.db2.gz SSHIRYGKDJKUDG-NSCUHMNNSA-N -1 3 340.198 3.516 20 30 EHEDHM [O-]c1ccc(Cl)cc1/C=N\[C@@H]1CCOC2(CCSCC2)C1 ZINC000771097538 1133509493 /nfs/dbraw/zinc/50/94/93/1133509493.db2.gz JHRUPBLJVVGRTQ-JVVDOCDTSA-N -1 3 325.861 3.909 20 30 EHEDHM CCCCCCCCCCN(C)C(=O)CNC(=O)c1ccc([O-])cc1 ZINC001182970589 1133751920 /nfs/dbraw/zinc/75/19/20/1133751920.db2.gz YWBWKZXYGHTEQW-UHFFFAOYSA-N -1 3 348.487 3.721 20 30 EHEDHM N#Cc1ccc2c(c1)CC[C@H]2[N-]C(=O)C(F)(F)c1ccc(F)cc1 ZINC000786396330 1133844714 /nfs/dbraw/zinc/84/47/14/1133844714.db2.gz RUUIKXLRKLOFPD-MRXNPFEDSA-N -1 3 330.309 3.593 20 30 EHEDHM CCCCN([O-])C(=O)C[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001184315406 1133920482 /nfs/dbraw/zinc/92/04/82/1133920482.db2.gz YCYYVKGTORZURA-HUUCEWRRSA-N -1 3 342.480 3.678 20 30 EHEDHM C#CCOc1cc(F)ccc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787048722 1133943363 /nfs/dbraw/zinc/94/33/63/1133943363.db2.gz HGHYWUSDNQQBFX-UHFFFAOYSA-N -1 3 345.345 3.644 20 30 EHEDHM Cc1ncc(CO)c(/C=N\C[C@H](Cc2ccccc2)C(C)C)c1[O-] ZINC000787142406 1133959288 /nfs/dbraw/zinc/95/92/88/1133959288.db2.gz WETQANVILKFSKC-WCEBZYJUSA-N -1 3 326.440 3.522 20 30 EHEDHM Cc1ccc(CN2CC[C@H](/N=C\c3cc(Cl)ccc3[O-])C2=O)cc1 ZINC000790100504 1134371361 /nfs/dbraw/zinc/37/13/61/1134371361.db2.gz VUQKWNXRQCFWOE-QREGZJMFSA-N -1 3 342.826 3.574 20 30 EHEDHM Cc1ncc(CO)c(/C=N/CCCCc2ccc(Cl)s2)c1[O-] ZINC000790574816 1134442296 /nfs/dbraw/zinc/44/22/96/1134442296.db2.gz ONSIWSDZBJNSGI-GIJQJNRQSA-N -1 3 338.860 3.745 20 30 EHEDHM N#Cc1cc(NC(=O)c2nc(Cl)ccc2C(F)(F)F)ccc1[O-] ZINC001188771933 1134506928 /nfs/dbraw/zinc/50/69/28/1134506928.db2.gz BUEFSQHVOCHLCK-UHFFFAOYSA-N -1 3 341.676 3.583 20 30 EHEDHM COc1ccc(C(F)(F)F)cc1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001190056539 1134653303 /nfs/dbraw/zinc/65/33/03/1134653303.db2.gz WVNZKGDQNXIWHP-UHFFFAOYSA-N -1 3 336.269 3.544 20 30 EHEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@H](c2ccccc2)C2CCC2)c1 ZINC001190669621 1134728582 /nfs/dbraw/zinc/72/85/82/1134728582.db2.gz VLYPSERMXOZXAO-GOSISDBHSA-N -1 3 344.411 3.517 20 30 EHEDHM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Oc2ccccc2)c(Cl)c1 ZINC001193151162 1135109556 /nfs/dbraw/zinc/10/95/56/1135109556.db2.gz NFRSCGWKLHXNQT-NSHDSACASA-N -1 3 336.800 3.786 20 30 EHEDHM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196639962 1135592009 /nfs/dbraw/zinc/59/20/09/1135592009.db2.gz XXIZIXKQOKUHJE-UHFFFAOYSA-N -1 3 341.219 3.974 20 30 EHEDHM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1cc(C#N)c2ccccc2n1 ZINC000809078874 1135781856 /nfs/dbraw/zinc/78/18/56/1135781856.db2.gz WKKSJPPKAIRBLN-UHFFFAOYSA-N -1 3 346.268 3.674 20 30 EHEDHM CCc1ccc([C@H](C#N)[N-]C(=O)C(F)(F)c2ccc(OC)cc2)cc1 ZINC000809259759 1135811802 /nfs/dbraw/zinc/81/18/02/1135811802.db2.gz YMIQYUKOWCCEIK-KRWDZBQOSA-N -1 3 344.361 3.730 20 30 EHEDHM C=CCSc1ncccc1C(=O)Nc1c([O-])cccc1C(C)=O ZINC001199740005 1135925091 /nfs/dbraw/zinc/92/50/91/1135925091.db2.gz IAEWOGGPWPPEEM-UHFFFAOYSA-N -1 3 328.393 3.520 20 30 EHEDHM CCc1cc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)c(C)cc1C ZINC001201323862 1136007695 /nfs/dbraw/zinc/00/76/95/1136007695.db2.gz OOYJCUANBXZQOX-UHFFFAOYSA-N -1 3 328.437 3.847 20 30 EHEDHM C#C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(Cl)cc1F ZINC000811523919 1136098712 /nfs/dbraw/zinc/09/87/12/1136098712.db2.gz GYIQXMJCUNCIBW-HNNXBMFYSA-N -1 3 338.165 3.942 20 30 EHEDHM Cc1ncc(CO)c(/C=N/[C@H](C)c2ccc(-c3cccnc3)cc2)c1[O-] ZINC000747865378 1136353291 /nfs/dbraw/zinc/35/32/91/1136353291.db2.gz ZTKUSNUIMXRHTI-REMUQMNCSA-N -1 3 347.418 3.830 20 30 EHEDHM COc1cc(C(=O)/C=C/c2ccccc2-c2ccnn2C)ccc1[O-] ZINC000814187139 1136419936 /nfs/dbraw/zinc/41/99/36/1136419936.db2.gz AMZRNAWEVCUTMT-VQHVLOKHSA-N -1 3 334.375 3.697 20 30 EHEDHM C=CCC(F)(F)C(=O)[N-][C@@H](C)COc1ccccc1C(F)(F)F ZINC000815100135 1136556214 /nfs/dbraw/zinc/55/62/14/1136556214.db2.gz QUEUCWAGCAHVJX-JTQLQIEISA-N -1 3 337.288 3.800 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C ZINC000816223449 1136690040 /nfs/dbraw/zinc/69/00/40/1136690040.db2.gz SOOLMEWWEQXGPK-PSTGCABASA-N -1 3 330.428 3.576 20 30 EHEDHM C=CCC[C@H](CO)[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843901627 1137185769 /nfs/dbraw/zinc/18/57/69/1137185769.db2.gz PJZJZFDKNLJCQK-SECBINFHSA-N -1 3 338.181 3.529 20 30 EHEDHM Cc1c(N=NC2CN(Cc3ccccc3)C[C@H]2C)cccc1C(=O)[O-] ZINC000844625083 1137240612 /nfs/dbraw/zinc/24/06/12/1137240612.db2.gz VMCMNPSYQQJBLR-CQSZACIVSA-N -1 3 337.423 3.613 20 30 EHEDHM C=C(Cc1ccccc1)C(=O)Nc1cc(Br)ccc1[O-] ZINC001144395554 1137284572 /nfs/dbraw/zinc/28/45/72/1137284572.db2.gz ZOKULRDQTSBLKO-UHFFFAOYSA-N -1 3 332.197 3.892 20 30 EHEDHM CCc1ccccc1OCC(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1 ZINC000845838060 1137314888 /nfs/dbraw/zinc/31/48/88/1137314888.db2.gz CUVRPCXNNFZFRJ-SFHVURJKSA-N -1 3 347.414 3.638 20 30 EHEDHM N#CC(C(=O)Cc1cc(F)ccc1F)=C([O-])C1(c2ccccc2)CC1 ZINC000845840838 1137315537 /nfs/dbraw/zinc/31/55/37/1137315537.db2.gz GMPYQEACVWAAMC-INIZCTEOSA-N -1 3 339.341 3.517 20 30 EHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])Cc1cc(F)ccc1F ZINC000845840838 1137315539 /nfs/dbraw/zinc/31/55/39/1137315539.db2.gz GMPYQEACVWAAMC-INIZCTEOSA-N -1 3 339.341 3.517 20 30 EHEDHM COc1cc(F)c([C@H](C)N[C@@H](C)c2cccc(C#N)c2[O-])cc1OC ZINC000866266612 1137340864 /nfs/dbraw/zinc/34/08/64/1137340864.db2.gz LRPXTWGIEUOMIO-RYUDHWBXSA-N -1 3 344.386 3.832 20 30 EHEDHM CCCc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2OC)s1 ZINC000870141763 1137478648 /nfs/dbraw/zinc/47/86/48/1137478648.db2.gz CJCKLKMODPBASN-ZDUSSCGKSA-N -1 3 342.420 3.670 20 30 EHEDHM CN(C)C(=O)Nc1cccc(C/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000125173013 1137624555 /nfs/dbraw/zinc/62/45/55/1137624555.db2.gz PGTDOUQDVKDXJI-YBFXNURJSA-N -1 3 331.803 3.758 20 30 EHEDHM CCC(CC)CN(CCC#N)Cc1nnc(-c2ccccc2[O-])o1 ZINC000878159582 1137705024 /nfs/dbraw/zinc/70/50/24/1137705024.db2.gz OBDIAPLPHZOTHS-UHFFFAOYSA-N -1 3 328.416 3.594 20 30 EHEDHM CCc1cc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)o1 ZINC000128755109 1137796982 /nfs/dbraw/zinc/79/69/82/1137796982.db2.gz ZPXJXHCXVVWTGL-LBPRGKRZSA-N -1 3 348.761 3.904 20 30 EHEDHM N#CCCCCSc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826381532 1137909810 /nfs/dbraw/zinc/90/98/10/1137909810.db2.gz PGSJNVFNJODDIQ-UHFFFAOYSA-N -1 3 327.335 3.671 20 30 EHEDHM N#CCCCCSc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826381532 1137909811 /nfs/dbraw/zinc/90/98/11/1137909811.db2.gz PGSJNVFNJODDIQ-UHFFFAOYSA-N -1 3 327.335 3.671 20 30 EHEDHM CCCCCCCC[S@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000190838256 1140420143 /nfs/dbraw/zinc/42/01/43/1140420143.db2.gz WGQVHHOXSOFZTO-QFIPXVFZSA-N -1 3 338.395 3.810 20 30 EHEDHM Cc1c(NCc2ccccc2C(C)(C)C#N)cccc1-c1nnn[n-]1 ZINC000822122960 607256888 /nfs/dbraw/zinc/25/68/88/607256888.db2.gz SAGXHNZAAZDUKI-UHFFFAOYSA-N -1 3 332.411 3.588 20 30 EHEDHM Cc1c(NCc2ccccc2C(C)(C)C#N)cccc1-c1nn[n-]n1 ZINC000822122960 607256889 /nfs/dbraw/zinc/25/68/89/607256889.db2.gz SAGXHNZAAZDUKI-UHFFFAOYSA-N -1 3 332.411 3.588 20 30 EHEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1N[C@@H](C#N)C1CCCCC1 ZINC000735905776 599099166 /nfs/dbraw/zinc/09/91/66/599099166.db2.gz MRLOBWHIMCRXEP-INIZCTEOSA-N -1 3 340.431 3.538 20 30 EHEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1N[C@@H](C#N)C1CCCCC1 ZINC000735905776 599099169 /nfs/dbraw/zinc/09/91/69/599099169.db2.gz MRLOBWHIMCRXEP-INIZCTEOSA-N -1 3 340.431 3.538 20 30 EHEDHM N#CC(C(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc2ccccc2n1 ZINC000739072968 600099948 /nfs/dbraw/zinc/09/99/48/600099948.db2.gz ATAOYWHIIVDNHS-KRWDZBQOSA-N -1 3 344.370 3.742 20 30 EHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)cc1 ZINC000822923257 607455166 /nfs/dbraw/zinc/45/51/66/607455166.db2.gz PGVJKTCZIMKHPF-VMPITWQZSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1 ZINC000822923257 607455168 /nfs/dbraw/zinc/45/51/68/607455168.db2.gz PGVJKTCZIMKHPF-VMPITWQZSA-N -1 3 328.734 3.555 20 30 EHEDHM C[C@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(F)c(Cl)c1 ZINC000736662704 600595758 /nfs/dbraw/zinc/59/57/58/600595758.db2.gz RZPXBEAWAWKRFG-QFYYESIMSA-N -1 3 332.762 3.827 20 30 EHEDHM Cc1[nH]c2ccc(CN[C@H](C(=O)[O-])c3ccc(C#N)cc3)cc2c1C ZINC000738246779 600596180 /nfs/dbraw/zinc/59/61/80/600596180.db2.gz KWBZVPMMJGQFMG-IBGZPJMESA-N -1 3 333.391 3.572 20 30 EHEDHM CC(C)c1csc(C(C#N)C(=O)c2ccc(NC(=O)[O-])cc2)n1 ZINC000824477019 603440722 /nfs/dbraw/zinc/44/07/22/603440722.db2.gz YVMHQFDREKCWCU-GFCCVEGCSA-N -1 3 329.381 3.846 20 30 EHEDHM C=CCCCC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819733830 606263524 /nfs/dbraw/zinc/26/35/24/606263524.db2.gz BUPRRYKOQSZOPB-UHFFFAOYSA-N -1 3 349.394 3.954 20 30 EHEDHM C=CCCCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819733830 606263525 /nfs/dbraw/zinc/26/35/25/606263525.db2.gz BUPRRYKOQSZOPB-UHFFFAOYSA-N -1 3 349.394 3.954 20 30 EHEDHM Cc1[nH]c2ccccc2c1C(=O)C=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822009949 606306068 /nfs/dbraw/zinc/30/60/68/606306068.db2.gz HZYOWKAWJHJYGG-SREVYHEPSA-N -1 3 335.392 3.614 20 30 EHEDHM Cc1[nH]c2ccccc2c1C(=O)C=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822009949 606306069 /nfs/dbraw/zinc/30/60/69/606306069.db2.gz HZYOWKAWJHJYGG-SREVYHEPSA-N -1 3 335.392 3.614 20 30 EHEDHM Clc1ccc(Cl)c(NN=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000822574358 606415558 /nfs/dbraw/zinc/41/55/58/606415558.db2.gz SMERBIREJDRELO-UHFFFAOYSA-N -1 3 339.211 3.681 20 30 EHEDHM Clc1ccc(Cl)c(NN=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000822574358 606415559 /nfs/dbraw/zinc/41/55/59/606415559.db2.gz SMERBIREJDRELO-UHFFFAOYSA-N -1 3 339.211 3.681 20 30 EHEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1F)CC2 ZINC000826294105 607813989 /nfs/dbraw/zinc/81/39/89/607813989.db2.gz IVWKSKBXTRFKAA-ZROIWOOFSA-N -1 3 334.354 3.527 20 30 EHEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)cc1F)CC2 ZINC000826294105 607813990 /nfs/dbraw/zinc/81/39/90/607813990.db2.gz IVWKSKBXTRFKAA-ZROIWOOFSA-N -1 3 334.354 3.527 20 30 EHEDHM O=C1c2cccc3c2[C@H](CCC3)C1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000826476039 608109708 /nfs/dbraw/zinc/10/97/08/608109708.db2.gz ZMCOLFNJDIAIGZ-OJLMPMFISA-N -1 3 334.404 3.628 20 30 EHEDHM COc1ccc(C=C2C(=O)c3cccc(C)c3[C@H]2C)cc1-c1nnn[n-]1 ZINC000826191196 608318560 /nfs/dbraw/zinc/31/85/60/608318560.db2.gz ZRTKTJOXFPESHB-DGGAMASNSA-N -1 3 346.390 3.567 20 30 EHEDHM COc1ccc(C=C2C(=O)c3cccc(C)c3[C@H]2C)cc1-c1nn[n-]n1 ZINC000826191196 608318562 /nfs/dbraw/zinc/31/85/62/608318562.db2.gz ZRTKTJOXFPESHB-DGGAMASNSA-N -1 3 346.390 3.567 20 30 EHEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCc2ccc3ccccc3c2)n1 ZINC000826350343 608537364 /nfs/dbraw/zinc/53/73/64/608537364.db2.gz RJPPHMOPRYVGPA-UHFFFAOYSA-N -1 3 349.785 3.514 20 30 EHEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2ccc3ccccc3c2)n1 ZINC000826350343 608537366 /nfs/dbraw/zinc/53/73/66/608537366.db2.gz RJPPHMOPRYVGPA-UHFFFAOYSA-N -1 3 349.785 3.514 20 30 EHEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC2CC[C@@H]3CCCC[C@@H]3C2)n1 ZINC000826350302 608541133 /nfs/dbraw/zinc/54/11/33/608541133.db2.gz PTBSNALWLHTAHP-WDEREUQCSA-N -1 3 345.838 3.673 20 30 EHEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC2CC[C@@H]3CCCC[C@@H]3C2)n1 ZINC000826350302 608541135 /nfs/dbraw/zinc/54/11/35/608541135.db2.gz PTBSNALWLHTAHP-WDEREUQCSA-N -1 3 345.838 3.673 20 30 EHEDHM Cc1c2ccccc2oc1C(=O)C=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826234482 608876861 /nfs/dbraw/zinc/87/68/61/608876861.db2.gz YMVLTJHJZUNCJD-CLFYSBASSA-N -1 3 348.337 3.957 20 30 EHEDHM Cc1c2ccccc2oc1C(=O)C=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826234482 608876863 /nfs/dbraw/zinc/87/68/63/608876863.db2.gz YMVLTJHJZUNCJD-CLFYSBASSA-N -1 3 348.337 3.957 20 30 EHEDHM C[C@@H]1CC(=Cc2ccc(F)c(-c3nnn[n-]3)c2)C(=O)c2ccccc21 ZINC000824857812 608879454 /nfs/dbraw/zinc/87/94/54/608879454.db2.gz FXXRQQVEWYKNNO-VSXLWIIGSA-N -1 3 334.354 3.779 20 30 EHEDHM C[C@@H]1CC(=Cc2ccc(F)c(-c3nn[n-]n3)c2)C(=O)c2ccccc21 ZINC000824857812 608879455 /nfs/dbraw/zinc/87/94/55/608879455.db2.gz FXXRQQVEWYKNNO-VSXLWIIGSA-N -1 3 334.354 3.779 20 30 EHEDHM O=C1c2cccc3c2[C@H](CCC3)C1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475561 608884829 /nfs/dbraw/zinc/88/48/29/608884829.db2.gz JYDJEXHQUWUDTJ-GULXKOIASA-N -1 3 346.365 3.706 20 30 EHEDHM O=C1c2cccc3c2[C@H](CCC3)C1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475561 608884832 /nfs/dbraw/zinc/88/48/32/608884832.db2.gz JYDJEXHQUWUDTJ-GULXKOIASA-N -1 3 346.365 3.706 20 30 EHEDHM O=C1c2c3ccccc3[nH]c2CCC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826475633 609369918 /nfs/dbraw/zinc/36/99/18/609369918.db2.gz MDZSVAMPDCKEDE-SDNWHVSQSA-N -1 3 341.374 3.561 20 30 EHEDHM O=C1c2c3ccccc3[nH]c2CCC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826475633 609369920 /nfs/dbraw/zinc/36/99/20/609369920.db2.gz MDZSVAMPDCKEDE-SDNWHVSQSA-N -1 3 341.374 3.561 20 30 EHEDHM Clc1cc(NN=Cc2cccc3cnccc23)ccc1-c1nnn[n-]1 ZINC000826351735 609472606 /nfs/dbraw/zinc/47/26/06/609472606.db2.gz YHXUCHKRTPTZGG-UHFFFAOYSA-N -1 3 349.785 3.514 20 30 EHEDHM Clc1cc(NN=Cc2cccc3cnccc23)ccc1-c1nn[n-]n1 ZINC000826351735 609472608 /nfs/dbraw/zinc/47/26/08/609472608.db2.gz YHXUCHKRTPTZGG-UHFFFAOYSA-N -1 3 349.785 3.514 20 30 EHEDHM C=C(C)c1cccc(NC(=O)c2c(C)cc(-c3nnn[n-]3)cc2C)c1 ZINC001573294899 947002326 /nfs/dbraw/zinc/00/23/26/947002326.db2.gz LZINKJJEVLGFAH-UHFFFAOYSA-N -1 3 333.395 3.769 20 30 EHEDHM C=C(C)c1cccc(NC(=O)c2c(C)cc(-c3nn[n-]n3)cc2C)c1 ZINC001573294899 947002337 /nfs/dbraw/zinc/00/23/37/947002337.db2.gz LZINKJJEVLGFAH-UHFFFAOYSA-N -1 3 333.395 3.769 20 30 EHEDHM COc1cc(OC)cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1 ZINC000080456267 1032067732 /nfs/dbraw/zinc/06/77/32/1032067732.db2.gz PFXUNZPDFQDNJH-CQSZACIVSA-N -1 3 330.409 3.774 20 30 EHEDHM C=CCOc1ccc(CNCc2cccc(C(=O)[O-])c2)cc1Cl ZINC000683176940 976081305 /nfs/dbraw/zinc/08/13/05/976081305.db2.gz YCUYLFLVLSPSOD-UHFFFAOYSA-N -1 3 331.799 3.893 20 30 EHEDHM 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C[C@@](C#N)(CCc1ccccc1)[N-]C(=O)C(F)(F)c1ccccc1F ZINC000765791744 1128369538 /nfs/dbraw/zinc/36/95/38/1128369538.db2.gz RYIUYTXUTFVHOO-SFHVURJKSA-N -1 3 346.352 3.949 20 30 EHEDHM N#Cc1c(Cl)nsc1NCc1ccc([O-])c(Br)c1 ZINC000301693560 1128602579 /nfs/dbraw/zinc/60/25/79/1128602579.db2.gz LQRHXJZYSPUTOE-UHFFFAOYSA-N -1 3 344.621 3.748 20 30 EHEDHM CCCCOc1ccc(C(=O)NCc2ccc(C#N)c(F)c2)c([O-])c1 ZINC001648847089 1120053675 /nfs/dbraw/zinc/05/36/75/1120053675.db2.gz MAJLZXCUCQOWMH-UHFFFAOYSA-N -1 3 342.370 3.512 20 30 EHEDHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000026547758 1121664586 /nfs/dbraw/zinc/66/45/86/1121664586.db2.gz WQWZFDWLBYJROK-UHFFFAOYSA-N -1 3 344.436 3.687 20 30 EHEDHM Cc1ncc(CO)c(/C=N/[C@H](C)c2ccccc2C(F)(F)F)c1[O-] ZINC000920178099 1123326567 /nfs/dbraw/zinc/32/65/67/1123326567.db2.gz OFYSGEUZABBODQ-RHTPEETPSA-N -1 3 338.329 3.787 20 30 EHEDHM Cc1cc(C([O-])=C(C#N)c2ccccn2)nn1-c1ccccc1Cl ZINC000181099662 1124522487 /nfs/dbraw/zinc/52/24/87/1124522487.db2.gz KCCCQRISQXRPPB-ZDUSSCGKSA-N -1 3 336.782 3.719 20 30 EHEDHM CC[C@@H](Cc1ccc(Cl)cc1)/N=C\c1c([O-])c(C)ncc1CO ZINC000734753280 1131272549 /nfs/dbraw/zinc/27/25/49/1131272549.db2.gz QVYOUYOJBQUWQU-QZPXRHMKSA-N -1 3 332.831 3.682 20 30 EHEDHM N#Cc1cc(Cl)ncc1[N-]C(=O)c1cc(-c2cccc(F)c2)no1 ZINC001128605382 1130003944 /nfs/dbraw/zinc/00/39/44/1130003944.db2.gz AQAVGROONHECOS-UHFFFAOYSA-N -1 3 342.717 3.653 20 30 EHEDHM Cc1csc([N-]C(=O)c2noc3c2CCc2ccccc2-3)c1C#N ZINC001128849463 1130207919 /nfs/dbraw/zinc/20/79/19/1130207919.db2.gz DJZGEWNYHBXOLV-UHFFFAOYSA-N -1 3 335.388 3.934 20 30 EHEDHM Cc1cc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@H]2C)ccc1-n1cncn1 ZINC000742432596 1131730137 /nfs/dbraw/zinc/73/01/37/1131730137.db2.gz YHRQURFNZMREPQ-QENILXLESA-N -1 3 349.365 3.804 20 30 EHEDHM CCC(CC)CN(CCC#N)Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000744405515 1132089898 /nfs/dbraw/zinc/08/98/98/1132089898.db2.gz OZDKMFVBQWYJAW-UHFFFAOYSA-N -1 3 342.439 3.959 20 30 EHEDHM CN(C(=O)OC(C)(C)C)c1ccc(Nc2cc(C#N)ccc2[O-])cn1 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ZINC000814687938 1136494273 /nfs/dbraw/zinc/49/42/73/1136494273.db2.gz YCVAANDFVPSRAL-OAHLLOKOSA-N -1 3 337.423 3.837 20 30 EHEDHM C[C@H]1C(N=Nc2ccccc2C(=O)[O-])CCCN1Cc1ccccc1 ZINC000814768431 1136502494 /nfs/dbraw/zinc/50/24/94/1136502494.db2.gz BAVDDSPLHFGFGW-HNNXBMFYSA-N -1 3 337.423 3.837 20 30 EHEDHM C=CCc1cc(CNCc2c(F)ccc([O-])c2F)cc(OC)c1OC ZINC000816548454 1136732411 /nfs/dbraw/zinc/73/24/11/1136732411.db2.gz IFUHIGXMPZXWBM-UHFFFAOYSA-N -1 3 349.377 3.706 20 30 EHEDHM CCc1ccc([C@@H](O)C/N=C\c2cc(Br)ccc2[O-])cc1 ZINC000794682200 1137226200 /nfs/dbraw/zinc/22/62/00/1137226200.db2.gz UCUIJOPTTXCUEQ-KCBNLNMNSA-N -1 3 348.240 3.870 20 30 EHEDHM C=C[C@H](C)O[N-]C(=O)Nc1nc(C)c(Cc2cccc(C)c2)s1 ZINC000844652684 1137242767 /nfs/dbraw/zinc/24/27/67/1137242767.db2.gz AHQYPSVAKYZIAW-LBPRGKRZSA-N -1 3 331.441 3.978 20 30 EHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])[C@H]1CCCC(F)(F)C1 ZINC000845844952 1137312268 /nfs/dbraw/zinc/31/22/68/1137312268.db2.gz LBQWMXNRSVPSIA-DZGCQCFKSA-N -1 3 331.362 3.822 20 30 EHEDHM [O-]/N=C/c1cccc(NCc2ccccc2OC2CCOCC2)c1 ZINC001171385925 1137466500 /nfs/dbraw/zinc/46/65/00/1137466500.db2.gz UIBWCUGSRAYHHD-FYJGNVAPSA-N -1 3 326.396 3.665 20 30 EHEDHM Cc1noc(C)c1C[C@H](C)/N=C/c1cc(Br)ccc1[O-] ZINC000078022733 1138144804 /nfs/dbraw/zinc/14/48/04/1138144804.db2.gz WXFUIQYHIZZCQN-PCYPHTAMSA-N -1 3 337.217 3.810 20 30 EHEDHM Cc1ccc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC001137247064 1138961444 /nfs/dbraw/zinc/96/14/44/1138961444.db2.gz SVYKAHKIFIHVFR-UHFFFAOYSA-N -1 3 333.309 3.501 20 30 EHEDHM N#C[C@H]([N-]C(=O)CC(F)(F)C(F)F)c1cccc(C(F)(F)F)c1 ZINC000889817182 1139270879 /nfs/dbraw/zinc/27/08/79/1139270879.db2.gz ZFVHOQCYJKONAL-VIFPVBQESA-N -1 3 342.214 3.677 20 30 EHEDHM C=CCCCCCN(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735408810 598903229 /nfs/dbraw/zinc/90/32/29/598903229.db2.gz RPJJKILYMBOSEV-UHFFFAOYSA-N -1 3 348.838 3.730 20 30 EHEDHM C=CCCCCCN(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735408810 598903231 /nfs/dbraw/zinc/90/32/31/598903231.db2.gz RPJJKILYMBOSEV-UHFFFAOYSA-N -1 3 348.838 3.730 20 30 EHEDHM CCCCOc1cccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000829422143 601300752 /nfs/dbraw/zinc/30/07/52/601300752.db2.gz PPCLZCYELHCRHO-LJQANCHMSA-N -1 3 338.407 3.653 20 30 EHEDHM CCCOc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000829528023 601302764 /nfs/dbraw/zinc/30/27/64/601302764.db2.gz OPYGKDFWXJAUOU-AUUYWEPGSA-N -1 3 338.407 3.824 20 30 EHEDHM CN(Cc1ccccc1C(F)(F)F)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830855666 601310210 /nfs/dbraw/zinc/31/02/10/601310210.db2.gz DNRHTKWXWBZTGR-MRXNPFEDSA-N -1 3 348.324 3.835 20 30 EHEDHM CN(Cc1ccccc1C(F)(F)F)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830855664 601310471 /nfs/dbraw/zinc/31/04/71/601310471.db2.gz DNRHTKWXWBZTGR-INIZCTEOSA-N -1 3 348.324 3.835 20 30 EHEDHM CCN(Cc1ccc(C(=O)[O-])c(F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000829718064 601619485 /nfs/dbraw/zinc/61/94/85/601619485.db2.gz ALLXOWVTEPZKML-ZDUSSCGKSA-N -1 3 326.371 3.979 20 30 EHEDHM CC(C)(C(=O)[O-])[C@@H](NCc1cc(C#N)ccc1F)c1ccccc1 ZINC000833412499 605174872 /nfs/dbraw/zinc/17/48/72/605174872.db2.gz ASAIEYMYEMDKLP-KRWDZBQOSA-N -1 3 326.371 3.639 20 30 EHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc2cc(O)ccc2c1 ZINC000822923822 606392623 /nfs/dbraw/zinc/39/26/23/606392623.db2.gz VJTCGCNBNAVHSN-AATRIKPKSA-N -1 3 348.387 3.683 20 30 EHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc2cc(O)ccc2c1 ZINC000822923822 606392624 /nfs/dbraw/zinc/39/26/24/606392624.db2.gz VJTCGCNBNAVHSN-AATRIKPKSA-N -1 3 348.387 3.683 20 30 EHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc2cc(O)ccc2c1 ZINC000822922502 606392704 /nfs/dbraw/zinc/39/27/04/606392704.db2.gz GSUKIIRMYFBVRG-ALCCZGGFSA-N -1 3 348.387 3.683 20 30 EHEDHM O=C(C=Cc1ccc(F)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000822930058 607122766 /nfs/dbraw/zinc/12/27/66/607122766.db2.gz XYSJZJIWDHWYPH-SOFGYWHQSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1ccc(F)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000822930058 607122768 /nfs/dbraw/zinc/12/27/68/607122768.db2.gz XYSJZJIWDHWYPH-SOFGYWHQSA-N -1 3 328.734 3.555 20 30 EHEDHM C=C[C@@H](CC(=O)OCc1ccc(-c2nnn[n-]2)cc1C)c1ccccc1 ZINC000823883490 607993356 /nfs/dbraw/zinc/99/33/56/607993356.db2.gz REDPLQJFJAZXBT-HNNXBMFYSA-N -1 3 348.406 3.578 20 30 EHEDHM C=C[C@@H](CC(=O)OCc1ccc(-c2nn[n-]n2)cc1C)c1ccccc1 ZINC000823883490 607993357 /nfs/dbraw/zinc/99/33/57/607993357.db2.gz REDPLQJFJAZXBT-HNNXBMFYSA-N -1 3 348.406 3.578 20 30 EHEDHM Cc1cc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c(C)s1 ZINC000826256948 608877164 /nfs/dbraw/zinc/87/71/64/608877164.db2.gz HNNNKDMLHPGPGW-XQRVVYSFSA-N -1 3 328.372 3.580 20 30 EHEDHM Cc1cc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c(C)s1 ZINC000826256948 608877165 /nfs/dbraw/zinc/87/71/65/608877165.db2.gz HNNNKDMLHPGPGW-XQRVVYSFSA-N -1 3 328.372 3.580 20 30 EHEDHM CSc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000826230827 609270202 /nfs/dbraw/zinc/27/02/02/609270202.db2.gz LCBANLAUSXUNHM-RUDMXATFSA-N -1 3 340.383 3.624 20 30 EHEDHM CSc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000826230827 609270203 /nfs/dbraw/zinc/27/02/03/609270203.db2.gz LCBANLAUSXUNHM-RUDMXATFSA-N -1 3 340.383 3.624 20 30 EHEDHM O=C(C=Cc1cccc(Cl)c1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400653 609274907 /nfs/dbraw/zinc/27/49/07/609274907.db2.gz DNCACDFVVFLZQV-FNORWQNLSA-N -1 3 346.724 3.694 20 30 EHEDHM O=C(C=Cc1cccc(Cl)c1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400653 609274909 /nfs/dbraw/zinc/27/49/09/609274909.db2.gz DNCACDFVVFLZQV-FNORWQNLSA-N -1 3 346.724 3.694 20 30 EHEDHM CC(=NNc1c(C)cc(C)cc1C)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953753 609277021 /nfs/dbraw/zinc/27/70/21/609277021.db2.gz OLYOXPOKEWFKJC-UHFFFAOYSA-N -1 3 338.390 3.767 20 30 EHEDHM CC(=NNc1c(C)cc(C)cc1C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953753 609277022 /nfs/dbraw/zinc/27/70/22/609277022.db2.gz OLYOXPOKEWFKJC-UHFFFAOYSA-N -1 3 338.390 3.767 20 30 EHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cc(F)cc(F)c1 ZINC000823958842 609471018 /nfs/dbraw/zinc/47/10/18/609471018.db2.gz YVKIWLMZOIAPSX-UHFFFAOYSA-N -1 3 348.744 3.634 20 30 EHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cc(F)cc(F)c1 ZINC000823958842 609471022 /nfs/dbraw/zinc/47/10/22/609471022.db2.gz YVKIWLMZOIAPSX-UHFFFAOYSA-N -1 3 348.744 3.634 20 30 EHEDHM CCCc1c(C([O-])=C(C#N)c2ccccn2)cnn1Cc1ccccc1 ZINC000049458395 1014179097 /nfs/dbraw/zinc/17/90/97/1014179097.db2.gz RFYMHEVZQJNMFK-QGZVFWFLSA-N -1 3 344.418 3.769 20 30 EHEDHM Cc1[nH]c2ccc(CN[C@H](C(=O)[O-])c3cccc(C#N)c3)cc2c1C ZINC001599964931 985884532 /nfs/dbraw/zinc/88/45/32/985884532.db2.gz BUNUUWGZNPGNKX-IBGZPJMESA-N -1 3 333.391 3.572 20 30 EHEDHM C[C@@H](NCc1cc(Cl)cc(C#N)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001593292339 994675937 /nfs/dbraw/zinc/67/59/37/994675937.db2.gz KLBNEPLAUKKFLF-GFCCVEGCSA-N -1 3 344.798 3.526 20 30 EHEDHM C[C@@H](/N=C/c1cc(Cl)ccc1[O-])c1ccc2c(c1)CC(=O)N2C ZINC000728226536 1016124371 /nfs/dbraw/zinc/12/43/71/1016124371.db2.gz SHBUXJAJKPTMAA-JZOCJUILSA-N -1 3 328.799 3.745 20 30 EHEDHM Cc1cc(C(=O)C=Cc2c[nH]nc2-c2ccc3c(c2)OCO3)ccc1[O-] ZINC000728231569 1016274764 /nfs/dbraw/zinc/27/47/64/1016274764.db2.gz LKHTUDSGTMVZTD-ZZXKWVIFSA-N -1 3 348.358 3.716 20 30 EHEDHM COc1cc(C(=O)/C=C/c2cc(Cl)cc3c2OCC3)ccc1[O-] ZINC000782887784 1016533822 /nfs/dbraw/zinc/53/38/22/1016533822.db2.gz QNSOCAYZCUZYNN-ONEGZZNKSA-N -1 3 330.767 3.885 20 30 EHEDHM O=C(/C=C/c1cccc([O-])c1Br)c1cn2c(n1)CCCC2 ZINC000905075662 1032344197 /nfs/dbraw/zinc/34/41/97/1032344197.db2.gz YAGSLDJBVAMWOE-BQYQJAHWSA-N -1 3 347.212 3.584 20 30 EHEDHM N#CC(=C([O-])c1cn2ccccc2n1)c1nc2cc(F)ccc2s1 ZINC000592973389 1032619961 /nfs/dbraw/zinc/61/99/61/1032619961.db2.gz FHUHKVLJIWTWIC-LLVKDONJSA-N -1 3 336.351 3.573 20 30 EHEDHM CC(C)Oc1ccc(C([O-])=C(C#N)c2ccc3ccccc3n2)nc1 ZINC000683689148 1018020860 /nfs/dbraw/zinc/02/08/60/1018020860.db2.gz NOPIKWYADOMXEO-MRXNPFEDSA-N -1 3 331.375 3.907 20 30 EHEDHM C=CCCSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000606755085 1032832083 /nfs/dbraw/zinc/83/20/83/1032832083.db2.gz UZCDVTKFXKMZSQ-UHFFFAOYSA-N -1 3 332.816 3.843 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCCC[C@H]1C(C)C ZINC001266687596 1020576297 /nfs/dbraw/zinc/57/62/97/1020576297.db2.gz LKVQOSGJQZQVMZ-SFHVURJKSA-N -1 3 343.471 3.636 20 30 EHEDHM Cc1nc([C@@H]2CCCOC2)sc1C(=O)Nc1cc(F)ccc1[O-] ZINC000328935351 1022536222 /nfs/dbraw/zinc/53/62/22/1022536222.db2.gz FPJKCUAKKOWADM-SNVBAGLBSA-N -1 3 336.388 3.827 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1C(F)F ZINC000425074049 1023987757 /nfs/dbraw/zinc/98/77/57/1023987757.db2.gz ODAOEYFLOYCMFZ-UHFFFAOYSA-N -1 3 345.349 3.785 20 30 EHEDHM COc1ccc2ccc([O-])c(CN(CCC#N)CC(F)(F)F)c2c1 ZINC000176873341 1033188692 /nfs/dbraw/zinc/18/86/92/1033188692.db2.gz PDHHVYVCNZIDGO-UHFFFAOYSA-N -1 3 338.329 3.832 20 30 EHEDHM CC(=NNC(=S)Nc1cccc(C)c1C)c1ccc([O-])c(F)c1 ZINC000728426822 1024208272 /nfs/dbraw/zinc/20/82/72/1024208272.db2.gz CFEXBABATSVKAX-UHFFFAOYSA-N -1 3 331.416 3.859 20 30 EHEDHM N#CC(=C([O-])C=Cc1cccnc1)c1nc2ccccc2n1C(F)F ZINC000178987698 1024269705 /nfs/dbraw/zinc/26/97/05/1024269705.db2.gz GMKNRYGFQWLBCA-SBDDDAINSA-N -1 3 338.317 3.716 20 30 EHEDHM CSc1ccccc1S(=O)(=O)[N-]c1cc(C#N)ccc1Cl ZINC000436019236 1025320533 /nfs/dbraw/zinc/32/05/33/1025320533.db2.gz NJHFEHOOCGAESK-UHFFFAOYSA-N -1 3 338.841 3.734 20 30 EHEDHM CCC[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(C)(C)C ZINC000452660892 1026906682 /nfs/dbraw/zinc/90/66/82/1026906682.db2.gz IJHHZNAUEJYMQA-MRXNPFEDSA-N -1 3 331.460 3.539 20 30 EHEDHM CC(C)CCN(CCC#N)Cc1cccc([O-])c1Br ZINC000459339238 1027726755 /nfs/dbraw/zinc/72/67/55/1027726755.db2.gz NLOUITJZGAKRMP-UHFFFAOYSA-N -1 3 325.250 3.916 20 30 EHEDHM C[C@@](O)(C/N=C/c1cc(Br)ccc1[O-])c1cccs1 ZINC000304293295 1027735096 /nfs/dbraw/zinc/73/50/96/1027735096.db2.gz MTUJKONNIACHIV-UVYNJXETSA-N -1 3 340.242 3.543 20 30 EHEDHM Cc1cc(C(C#N)=C([O-])c2cc(F)cc(C(F)(F)F)c2)nc(C)n1 ZINC000447236175 1030030839 /nfs/dbraw/zinc/03/08/39/1030030839.db2.gz FOMQJPVXQMAHAI-CYBMUJFWSA-N -1 3 337.276 3.741 20 30 EHEDHM Cc1ccc(-c2cc(C(=O)[N-]c3nn(C(C)C)cc3C#N)on2)cc1 ZINC000161020867 1031241580 /nfs/dbraw/zinc/24/15/80/1031241580.db2.gz UUFKWQJBLPYUAL-UHFFFAOYSA-N -1 3 335.367 3.551 20 30 EHEDHM O=C(CCCCC(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1 ZINC000904175683 1031826805 /nfs/dbraw/zinc/82/68/05/1031826805.db2.gz WOGIMIVVGZUHIH-UHFFFAOYSA-N -1 3 329.371 3.987 20 30 EHEDHM C=CCCC[C@H](C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1)c1ccccc1 ZINC000898226928 1033412683 /nfs/dbraw/zinc/41/26/83/1033412683.db2.gz OALZIQCSFGJODJ-SJORKVTESA-N -1 3 339.439 3.571 20 30 EHEDHM COc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1OC ZINC000647371050 1034056842 /nfs/dbraw/zinc/05/68/42/1034056842.db2.gz JDMASZIHRDWXIE-GFCCVEGCSA-N -1 3 328.393 3.528 20 30 EHEDHM CN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])[C@@H]1CCC[C@H]1C#N ZINC000601809538 1034759457 /nfs/dbraw/zinc/75/94/57/1034759457.db2.gz FRFVJGRKIAPGJK-PKOBYXMFSA-N -1 3 334.419 3.747 20 30 EHEDHM CN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])[C@H]1CCC[C@H]1C#N ZINC000601809512 1034760151 /nfs/dbraw/zinc/76/01/51/1034760151.db2.gz FRFVJGRKIAPGJK-HKUYNNGSSA-N -1 3 334.419 3.747 20 30 EHEDHM CCCc1nc(C(=O)[N-]c2sc3c(c2C#N)CC[C@H](C)C3)co1 ZINC000548935331 1035004275 /nfs/dbraw/zinc/00/42/75/1035004275.db2.gz VBIAYRWWDYCSDJ-JTQLQIEISA-N -1 3 329.425 3.937 20 30 EHEDHM Cc1csc(C(C#N)=C([O-])c2cccc([C@H]3CCCOC3)c2)n1 ZINC000535042658 1035925616 /nfs/dbraw/zinc/92/56/16/1035925616.db2.gz VSYFVJWXDUBFBD-JKSUJKDBSA-N -1 3 326.421 3.836 20 30 EHEDHM N#CC(=C([O-])c1cc2c(s1)CCOC2)c1ccc2ccccc2n1 ZINC000590880741 1037113957 /nfs/dbraw/zinc/11/39/57/1037113957.db2.gz PJZZLCNWEBRPHX-AWEZNQCLSA-N -1 3 334.400 3.859 20 30 EHEDHM C[C@@H](C(=O)Nc1cc(Br)ccc1[O-])c1cccc(C#N)c1 ZINC000462197186 1038856040 /nfs/dbraw/zinc/85/60/40/1038856040.db2.gz SHWINIIHWIYFCR-SNVBAGLBSA-N -1 3 345.196 3.769 20 30 EHEDHM CC(=O)c1ccc(C(=O)N(Cc2ccc(C#N)cc2)C(C)C)cc1[O-] ZINC000667464777 1040116095 /nfs/dbraw/zinc/11/60/95/1040116095.db2.gz ASQZUCOQISPFKC-UHFFFAOYSA-N -1 3 336.391 3.517 20 30 EHEDHM CCc1sc(C([O-])=C(C#N)c2ccccn2)cc1Br ZINC000344752005 1044388704 /nfs/dbraw/zinc/38/87/04/1044388704.db2.gz XAQYKTVONOFIKQ-VIFPVBQESA-N -1 3 335.226 3.958 20 30 EHEDHM C=CCC(C)(C)CNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000432599734 1044445488 /nfs/dbraw/zinc/44/54/88/1044445488.db2.gz VXKMGMIVTJZHPU-UHFFFAOYSA-N -1 3 341.249 3.556 20 30 EHEDHM O=C(Cc1ccc(-n2cccn2)cc1)N([O-])CCCCc1ccccc1 ZINC001649051908 1128024885 /nfs/dbraw/zinc/02/48/85/1128024885.db2.gz KZUBIEYHOJORHH-UHFFFAOYSA-N -1 3 349.434 3.656 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@H]2CCCC[C@H]2C)no1 ZINC000273735106 1128661703 /nfs/dbraw/zinc/66/17/03/1128661703.db2.gz BCPUTIQOQHWSEM-RISCZKNCSA-N -1 3 340.427 3.738 20 30 EHEDHM N#Cc1ccc(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])cc1 ZINC000303148290 1128667068 /nfs/dbraw/zinc/66/70/68/1128667068.db2.gz SHJUVAJNIQLFRU-UHFFFAOYSA-N -1 3 342.398 3.785 20 30 EHEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)c(C)c1 ZINC000194142783 1120824328 /nfs/dbraw/zinc/82/43/28/1120824328.db2.gz HSNHIASKYDBQMO-UHFFFAOYSA-N -1 3 344.436 3.606 20 30 EHEDHM [O-]c1ccc(Cl)cc1/C=N/CCNc1ccc(C(F)(F)F)cn1 ZINC000914701193 1120955310 /nfs/dbraw/zinc/95/53/10/1120955310.db2.gz BMGZFDQPSJUODH-DNTJNYDQSA-N -1 3 343.736 3.990 20 30 EHEDHM COc1ccc(NC(=S)NN=C(C)c2cc(Cl)ccc2[O-])cc1 ZINC000915924866 1121985575 /nfs/dbraw/zinc/98/55/75/1121985575.db2.gz FHXHCQCFGQVFSY-UHFFFAOYSA-N -1 3 349.843 3.765 20 30 EHEDHM CCOc1cc(CN=Nc2nncc3ccccc32)cc(Cl)c1[O-] ZINC000915909908 1121989045 /nfs/dbraw/zinc/98/90/45/1121989045.db2.gz UBLCUWYZWFKVIC-UHFFFAOYSA-N -1 3 342.786 3.834 20 30 EHEDHM Cc1ncc(CO)c(/C=N/CC2(c3ccc(F)cc3)CCCC2)c1[O-] ZINC000915981963 1122007216 /nfs/dbraw/zinc/00/72/16/1122007216.db2.gz KOXJJCNLSPHLQG-SSDVNMTOSA-N -1 3 342.414 3.658 20 30 EHEDHM CCN(c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1)C(C)C ZINC000916108643 1122053536 /nfs/dbraw/zinc/05/35/36/1122053536.db2.gz FOZCGHHPALVNFE-UHFFFAOYSA-N -1 3 343.452 3.594 20 30 EHEDHM CCC(CC)C(=O)N1CCC(/N=C/c2cc(Cl)ccc2[O-])CC1 ZINC000917559697 1122631886 /nfs/dbraw/zinc/63/18/86/1122631886.db2.gz TYMFWWQKAJROOW-UDWIEESQSA-N -1 3 336.863 3.892 20 30 EHEDHM CCc1cc(C#N)c([N-]C(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000917877704 1122702799 /nfs/dbraw/zinc/70/27/99/1122702799.db2.gz CJQVUKNLEVNIDS-UHFFFAOYSA-N -1 3 335.772 3.996 20 30 EHEDHM C[C@@H](C(=O)[N-][C@H](c1cccc(F)c1F)C(F)(F)F)C(C)(F)F ZINC000499118708 1123236363 /nfs/dbraw/zinc/23/63/63/1123236363.db2.gz WDBZAJGJLMCGFO-QUBYGPBYSA-N -1 3 331.231 3.976 20 30 EHEDHM Cc1cc(N=Cc2c([O-])c(C)ncc2CO)ccc1Oc1cccnc1 ZINC000920178431 1123326633 /nfs/dbraw/zinc/32/66/33/1123326633.db2.gz QOSVJVKZVKYROQ-UHFFFAOYSA-N -1 3 349.390 3.834 20 30 EHEDHM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000618891678 1125229800 /nfs/dbraw/zinc/22/98/00/1125229800.db2.gz CCLNEXJDBYXQPB-GOSISDBHSA-N -1 3 338.382 3.529 20 30 EHEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1c(F)ccc([O-])c1F ZINC000509005616 1129641024 /nfs/dbraw/zinc/64/10/24/1129641024.db2.gz DPCGPBDJELUALN-PBHICJAKSA-N -1 3 328.362 3.942 20 30 EHEDHM C[C@H](/N=C\c1cc(Br)ccc1[O-])C(=O)Nc1ccccc1 ZINC000732528846 1130932242 /nfs/dbraw/zinc/93/22/42/1130932242.db2.gz AUJXFFXVHGMJNS-TZQXVGBESA-N -1 3 347.212 3.601 20 30 EHEDHM O=C1[C@@H](/N=C\c2cc(Cl)ccc2[O-])CCCN1c1ccccc1 ZINC000733903674 1131164743 /nfs/dbraw/zinc/16/47/43/1131164743.db2.gz ORIJQHMNCRPRGH-DEFALTHMSA-N -1 3 328.799 3.660 20 30 EHEDHM COc1cc(/C=C\C(=O)c2ccc3c(c2)COC3)cc(Cl)c1[O-] ZINC000742437477 1131730954 /nfs/dbraw/zinc/73/09/54/1131730954.db2.gz URLHYRMDXYKOBF-DJWKRKHSSA-N -1 3 330.767 3.981 20 30 EHEDHM C=CCN(CCc1ccccc1)Cc1ncc(Br)cc1[O-] ZINC001180279901 1133356754 /nfs/dbraw/zinc/35/67/54/1133356754.db2.gz DHYMKQKDNKBCAP-UHFFFAOYSA-N -1 3 347.256 3.780 20 30 EHEDHM CCCCCCN([O-])C(=O)Cc1cc(F)ccc1Br ZINC001184305330 1133918592 /nfs/dbraw/zinc/91/85/92/1133918592.db2.gz GQNLUELZDQTSSY-UHFFFAOYSA-N -1 3 332.213 3.929 20 30 EHEDHM CN(CC(=O)N([O-])Cc1cccc2ccccc21)Cc1ccccc1 ZINC001184339006 1133928817 /nfs/dbraw/zinc/92/88/17/1133928817.db2.gz ATEZVPDEMUGPNV-UHFFFAOYSA-N 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C=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(Br)ccc1C(=O)[O-] ZINC000851709136 1136400354 /nfs/dbraw/zinc/40/03/54/1136400354.db2.gz FWYHEZUKWSPHGO-OKILXGFUSA-N -1 3 336.229 3.830 20 30 EHEDHM N#Cc1c(F)cc(C(=O)[N-]c2nnc(C3CCCCC3)s2)cc1F ZINC000823119661 1137088008 /nfs/dbraw/zinc/08/80/08/1137088008.db2.gz ALMQWLHRMVVRFW-UHFFFAOYSA-N -1 3 348.378 3.988 20 30 EHEDHM N#CC(=C([O-])C=CC1CCCCCC1)c1nnc2n1CCCCC2 ZINC000845445291 1137292499 /nfs/dbraw/zinc/29/24/99/1137292499.db2.gz IAHHWYDVNBPGAN-YUQCYMQKSA-N -1 3 326.444 3.707 20 30 EHEDHM N#Cc1cccc(C2CCN(Cc3cc(F)c([O-])cc3F)CC2)c1 ZINC001144665392 1137324789 /nfs/dbraw/zinc/32/47/89/1137324789.db2.gz AFNPTZJPRJTMDS-UHFFFAOYSA-N -1 3 328.362 3.922 20 30 EHEDHM C=C(C)CO[N-]C(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000846537985 1137355879 /nfs/dbraw/zinc/35/58/79/1137355879.db2.gz OUBOORQKASUBCE-UONOGXRCSA-N -1 3 328.437 3.970 20 30 EHEDHM COc1cc(C(=O)/C=C/c2ccc(OC)c(Cl)c2)c(OC)cc1[O-] ZINC000122516900 1137445251 /nfs/dbraw/zinc/44/52/51/1137445251.db2.gz WLUVKUIKKRCCTF-GQCTYLIASA-N -1 3 348.782 3.968 20 30 EHEDHM N#Cc1cc(CSc2cccc(Cl)c2-c2nnn[n-]2)ccc1F ZINC000826383880 1137914222 /nfs/dbraw/zinc/91/42/22/1137914222.db2.gz WBZYCHHHFQFZAS-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM N#Cc1cc(CSc2cccc(Cl)c2-c2nn[n-]n2)ccc1F ZINC000826383880 1137914223 /nfs/dbraw/zinc/91/42/23/1137914223.db2.gz WBZYCHHHFQFZAS-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM Fc1ccc([C@H]2CCCC2N=Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737650416 599033965 /nfs/dbraw/zinc/03/39/65/599033965.db2.gz OVIWTGRNBZGFJE-MRXNPFEDSA-N -1 3 336.374 3.741 20 30 EHEDHM Fc1ccc([C@H]2CCCC2N=Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737650416 599033967 /nfs/dbraw/zinc/03/39/67/599033967.db2.gz OVIWTGRNBZGFJE-MRXNPFEDSA-N -1 3 336.374 3.741 20 30 EHEDHM C[C@@H]1Sc2sccc2C(=O)C1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000822000725 599111333 /nfs/dbraw/zinc/11/13/33/599111333.db2.gz VFOPZLFAQPLQMO-LMRAXHDRSA-N -1 3 340.433 3.689 20 30 EHEDHM C[C@@H]1Sc2sccc2C(=O)C1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000822000725 599111334 /nfs/dbraw/zinc/11/13/34/599111334.db2.gz VFOPZLFAQPLQMO-LMRAXHDRSA-N -1 3 340.433 3.689 20 30 EHEDHM CSc1ccc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000737193652 599157842 /nfs/dbraw/zinc/15/78/42/599157842.db2.gz UWDFRQWHNAVLBL-FNORWQNLSA-N -1 3 340.383 3.624 20 30 EHEDHM CSc1ccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000737193652 599157844 /nfs/dbraw/zinc/15/78/44/599157844.db2.gz UWDFRQWHNAVLBL-FNORWQNLSA-N -1 3 340.383 3.624 20 30 EHEDHM FC(F)(F)c1cc(N=NC[C@@H]2CC=CCC2)ccc1-c1nnn[n-]1 ZINC000737633650 598316174 /nfs/dbraw/zinc/31/61/74/598316174.db2.gz UNSCZQWVYSHWMY-SNVBAGLBSA-N -1 3 336.321 3.640 20 30 EHEDHM FC(F)(F)c1cc(N=NC[C@@H]2CC=CCC2)ccc1-c1nn[n-]n1 ZINC000737633650 598316176 /nfs/dbraw/zinc/31/61/76/598316176.db2.gz UNSCZQWVYSHWMY-SNVBAGLBSA-N -1 3 336.321 3.640 20 30 EHEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1N[C@H](C)c1ccc(C#N)cc1 ZINC000735906809 599323469 /nfs/dbraw/zinc/32/34/69/599323469.db2.gz XFEJLHMEBRQIIW-CYBMUJFWSA-N -1 3 348.410 3.699 20 30 EHEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1N[C@H](C)c1ccc(C#N)cc1 ZINC000735906809 599323471 /nfs/dbraw/zinc/32/34/71/599323471.db2.gz XFEJLHMEBRQIIW-CYBMUJFWSA-N -1 3 348.410 3.699 20 30 EHEDHM C[C@H](SCc1cc(C#N)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736188937 599332991 /nfs/dbraw/zinc/33/29/91/599332991.db2.gz MVHHFSCIHNXAMH-NSHDSACASA-N -1 3 339.399 3.872 20 30 EHEDHM C[C@H](SCc1cc(C#N)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736188937 599332994 /nfs/dbraw/zinc/33/29/94/599332994.db2.gz MVHHFSCIHNXAMH-NSHDSACASA-N -1 3 339.399 3.872 20 30 EHEDHM C[C@@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(F)c(Cl)c1 ZINC000736662702 600595568 /nfs/dbraw/zinc/59/55/68/600595568.db2.gz RZPXBEAWAWKRFG-HWPZZCPQSA-N -1 3 332.762 3.827 20 30 EHEDHM Cc1c2ccccc2oc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822015291 607458433 /nfs/dbraw/zinc/45/84/33/607458433.db2.gz GXHGYDNBNMWUCQ-HJWRWDBZSA-N -1 3 348.337 3.957 20 30 EHEDHM Cc1c2ccccc2oc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822015291 607458434 /nfs/dbraw/zinc/45/84/34/607458434.db2.gz GXHGYDNBNMWUCQ-HJWRWDBZSA-N -1 3 348.337 3.957 20 30 EHEDHM C[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(OC(F)F)cc1 ZINC000827716920 601299199 /nfs/dbraw/zinc/29/91/99/601299199.db2.gz BYQHMTZXRRPQSP-ZBEGNZNMSA-N -1 3 346.333 3.636 20 30 EHEDHM N#Cc1cccc([C@H](NCc2ccc(-c3cccnc3)cc2)C(=O)[O-])c1 ZINC000833076111 601307638 /nfs/dbraw/zinc/30/76/38/601307638.db2.gz QAVXTQGLJOJZSA-FQEVSTJZSA-N -1 3 343.386 3.536 20 30 EHEDHM C[C@@H](C(=O)[O-])[C@@H](NCC#Cc1cccc(Cl)c1)c1ccccc1 ZINC000833412675 604954719 /nfs/dbraw/zinc/95/47/19/604954719.db2.gz WLRFGBMGSVKVEC-RDTXWAMCSA-N -1 3 327.811 3.743 20 30 EHEDHM N#Cc1ccc(CSc2ccc(-c3nnn[n-]3)cc2Cl)c(F)c1 ZINC000822825324 606854408 /nfs/dbraw/zinc/85/44/08/606854408.db2.gz BJMLRKMATKGXTM-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM N#Cc1ccc(CSc2ccc(-c3nn[n-]n3)cc2Cl)c(F)c1 ZINC000822825324 606854409 /nfs/dbraw/zinc/85/44/09/606854409.db2.gz BJMLRKMATKGXTM-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM Clc1cccc(C2CC(N=Nc3ccc(-c4nnn[n-]4)cc3)C2)c1 ZINC000826353384 607816472 /nfs/dbraw/zinc/81/64/72/607816472.db2.gz NCDKRUGICUUHRJ-UHFFFAOYSA-N -1 3 338.802 3.866 20 30 EHEDHM Clc1cccc(C2CC(N=Nc3ccc(-c4nn[n-]n4)cc3)C2)c1 ZINC000826353384 607816473 /nfs/dbraw/zinc/81/64/73/607816473.db2.gz NCDKRUGICUUHRJ-UHFFFAOYSA-N -1 3 338.802 3.866 20 30 EHEDHM N#C[C@@H](Cc1ccccc1)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826380157 607844218 /nfs/dbraw/zinc/84/42/18/607844218.db2.gz PMECLCBOTCZAGP-CYBMUJFWSA-N -1 3 341.827 3.747 20 30 EHEDHM N#C[C@@H](Cc1ccccc1)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826380157 607844219 /nfs/dbraw/zinc/84/42/19/607844219.db2.gz PMECLCBOTCZAGP-CYBMUJFWSA-N -1 3 341.827 3.747 20 30 EHEDHM O=C1c2cccc3c2[C@H](CCC3)C1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000826475412 608109784 /nfs/dbraw/zinc/10/97/84/608109784.db2.gz FTESXBTYQQLOOO-MGMWDDNKSA-N -1 3 334.404 3.628 20 30 EHEDHM O=C1c2cccc3c2[C@H](CCC3)C1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000826475412 608109785 /nfs/dbraw/zinc/10/97/85/608109785.db2.gz FTESXBTYQQLOOO-MGMWDDNKSA-N -1 3 334.404 3.628 20 30 EHEDHM Cc1oc2ccccc2c1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826342212 609270718 /nfs/dbraw/zinc/27/07/18/609270718.db2.gz AYAWPMGSGXPGTI-HJWRWDBZSA-N -1 3 348.337 3.957 20 30 EHEDHM Cc1oc2ccccc2c1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826342212 609270720 /nfs/dbraw/zinc/27/07/20/609270720.db2.gz AYAWPMGSGXPGTI-HJWRWDBZSA-N -1 3 348.337 3.957 20 30 EHEDHM O=C(C=Cc1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400400 609272399 /nfs/dbraw/zinc/27/23/99/609272399.db2.gz YJFNGGGJJVKPLE-SREVYHEPSA-N -1 3 346.724 3.694 20 30 EHEDHM O=C(C=Cc1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400400 609272400 /nfs/dbraw/zinc/27/24/00/609272400.db2.gz YJFNGGGJJVKPLE-SREVYHEPSA-N -1 3 346.724 3.694 20 30 EHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cc(C)oc1C ZINC000823958494 609470434 /nfs/dbraw/zinc/47/04/34/609470434.db2.gz PADXBVOIRIJMLR-UHFFFAOYSA-N -1 3 330.779 3.566 20 30 EHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cc(C)oc1C ZINC000823958494 609470436 /nfs/dbraw/zinc/47/04/36/609470436.db2.gz 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EHEDHM C=CCCCCCN(C)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000353938914 1023229270 /nfs/dbraw/zinc/22/92/70/1023229270.db2.gz KDUZMCGNJXXNHC-UHFFFAOYSA-N -1 3 334.366 3.625 20 30 EHEDHM Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)ccc1C#N ZINC000435730188 1025096945 /nfs/dbraw/zinc/09/69/45/1025096945.db2.gz GHEIXWYHWAENIF-UHFFFAOYSA-N -1 3 347.415 3.627 20 30 EHEDHM N#Cc1cccc(-c2cc(C(=O)[N-]c3ccc(F)cc3F)on2)c1 ZINC000436272308 1025542272 /nfs/dbraw/zinc/54/22/72/1025542272.db2.gz GHYPFTBNDXOSHB-UHFFFAOYSA-N -1 3 325.274 3.744 20 30 EHEDHM CCCCc1nc2ccc(NC(=O)c3ccc(C#N)c([O-])c3)cc2[nH]1 ZINC000442942349 1025610988 /nfs/dbraw/zinc/61/09/88/1025610988.db2.gz PTNAEEQCGFDBJB-UHFFFAOYSA-N -1 3 334.379 3.735 20 30 EHEDHM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000088547209 1028400775 /nfs/dbraw/zinc/40/07/75/1028400775.db2.gz HDZNPADIUFUFCH-UHFFFAOYSA-N -1 3 345.182 3.805 20 30 EHEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)cnn1-c1cc(C)ccc1C ZINC000121944727 1030438868 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CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc(C#N)cc1F ZINC000494467754 1120566201 /nfs/dbraw/zinc/56/62/01/1120566201.db2.gz BRVFOHKPIZDVQJ-UHFFFAOYSA-N -1 3 332.400 3.796 20 30 EHEDHM Cc1ncc(CO)c(/C=N\CC2(c3ccccc3)CCCCC2)c1[O-] ZINC000914773279 1120982002 /nfs/dbraw/zinc/98/20/02/1120982002.db2.gz BBHQUBFNCJCUEJ-XKZIYDEJSA-N -1 3 338.451 3.909 20 30 EHEDHM C=CCOc1ccccc1/C=C\C(=O)c1cc(OC)c([O-])cc1OC ZINC000763103620 1121682489 /nfs/dbraw/zinc/68/24/89/1121682489.db2.gz FDXVUBMWXZOVRA-KTKRTIGZSA-N -1 3 340.375 3.870 20 30 EHEDHM COc1cc(CN=Nc2ncnc3sccc32)cc(Cl)c1[O-] ZINC000916368473 1122137492 /nfs/dbraw/zinc/13/74/92/1122137492.db2.gz PXPKPDGMCNTLJY-UHFFFAOYSA-N -1 3 334.788 3.505 20 30 EHEDHM C=C(C)CO[N-]C(=O)CCc1ccccc1NC(=O)OC(C)(C)C ZINC000496716400 1122160011 /nfs/dbraw/zinc/16/00/11/1122160011.db2.gz DYQYZHRANRPVMV-UHFFFAOYSA-N -1 3 334.416 3.590 20 30 EHEDHM N#Cc1cc(C#N)cc(NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001168522200 1122381403 /nfs/dbraw/zinc/38/14/03/1122381403.db2.gz BBBAFTSNRWPAJC-UHFFFAOYSA-N -1 3 334.766 3.949 20 30 EHEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)C(C)(C)c1ccc(F)cc1 ZINC000734980398 1131297997 /nfs/dbraw/zinc/29/79/97/1131297997.db2.gz RWLNJHSUOMLXSU-UHFFFAOYSA-N -1 3 348.443 3.599 20 30 EHEDHM C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000183134593 1125453171 /nfs/dbraw/zinc/45/31/71/1125453171.db2.gz DNWZKJCJWGRKGM-OCHBPSSRSA-N -1 3 346.383 3.529 20 30 EHEDHM C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000183134577 1125453206 /nfs/dbraw/zinc/45/32/06/1125453206.db2.gz DNWZKJCJWGRKGM-NHAQELONSA-N -1 3 346.383 3.529 20 30 EHEDHM N#CCCC[C@H](NC(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC000922601777 1129589776 /nfs/dbraw/zinc/58/97/76/1129589776.db2.gz BSKHBGVAUVRSES-KRWDZBQOSA-N -1 3 341.386 3.766 20 30 EHEDHM C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000073973762 1129869857 /nfs/dbraw/zinc/86/98/57/1129869857.db2.gz HHTRCCCGJIMVIY-VIFPVBQESA-N -1 3 332.747 3.774 20 30 EHEDHM C#CCOc1cccc(N=Cc2cc(Br)ccc2[O-])c1 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3.679 20 30 EHEDHM Cc1ccc(N[C@@](C)(C#N)c2ccccc2Cl)cc1-c1nn[n-]n1 ZINC001169390689 1132745187 /nfs/dbraw/zinc/74/51/87/1132745187.db2.gz KXVYPCZMXUKYFY-KRWDZBQOSA-N -1 3 338.802 3.679 20 30 EHEDHM C=CC[C@H]1N(C(=O)c2nnc3ccccc3c2[O-])CCCC1(C)C ZINC000768099766 1133091745 /nfs/dbraw/zinc/09/17/45/1133091745.db2.gz YMQPKXHSLWCBND-OAHLLOKOSA-N -1 3 325.412 3.542 20 30 EHEDHM CSC=CC([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000771583271 1133573849 /nfs/dbraw/zinc/57/38/49/1133573849.db2.gz SEOGBDXBBTXMOM-XNPJLODASA-N -1 3 329.208 3.517 20 30 EHEDHM CCCCCCN([O-])C(=O)[C@H]1c2ccccc2C(=O)OC12CCC2 ZINC001184315353 1133920740 /nfs/dbraw/zinc/92/07/40/1133920740.db2.gz XLOIJQXWNFVWQS-MRXNPFEDSA-N -1 3 331.412 3.661 20 30 EHEDHM N#CCOc1ccc(CC(=O)N([O-])Cc2cccc3ccccc32)cc1 ZINC001184340487 1133929372 /nfs/dbraw/zinc/92/93/72/1133929372.db2.gz NRYYMQRKYPPXHR-UHFFFAOYSA-N -1 3 346.386 3.703 20 30 EHEDHM O=C(CCCc1ccc([O-])c(F)c1)OCC#Cc1ccc(F)cc1 ZINC000787845151 1134047212 /nfs/dbraw/zinc/04/72/12/1134047212.db2.gz NEUXPYOTQSDZPH-UHFFFAOYSA-N -1 3 330.330 3.588 20 30 EHEDHM COc1cccc(-c2cc(C(=O)[N-]c3sc(C)cc3C#N)no2)c1 ZINC001189977937 1134640838 /nfs/dbraw/zinc/64/08/38/1134640838.db2.gz QURHWPZFHNQBHP-UHFFFAOYSA-N -1 3 339.376 3.844 20 30 EHEDHM CCCCCCCCNC(=O)Nc1cc(F)c([O-])cc1C(=O)OC ZINC001191072569 1134787871 /nfs/dbraw/zinc/78/78/71/1134787871.db2.gz MXAWNZKKYSTFBX-UHFFFAOYSA-N -1 3 340.395 3.800 20 30 EHEDHM COc1ccc(C#N)cc1NC(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193748572 1135182210 /nfs/dbraw/zinc/18/22/10/1135182210.db2.gz SAXWYWRHIHOCHV-UHFFFAOYSA-N -1 3 336.269 3.544 20 30 EHEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCCOc3c(Cl)cccc32)c1[O-] ZINC000775628982 1135348417 /nfs/dbraw/zinc/34/84/17/1135348417.db2.gz CRKAXQJFAUIEQX-JZKGFHEDSA-N -1 3 346.814 3.574 20 30 EHEDHM CO[C@@H]1[C@H](C)[C@@H](/N=C\c2cc(Br)ccc2[O-])C1(C)C ZINC000775631233 1135356795 /nfs/dbraw/zinc/35/67/95/1135356795.db2.gz RUJDKEIIDGILKN-SEVJEAAQSA-N -1 3 326.234 3.633 20 30 EHEDHM CC(C)c1cccc(S(=O)(=O)[N-]c2cc(F)c(C#N)cc2F)c1 ZINC001195152622 1135382626 /nfs/dbraw/zinc/38/26/26/1135382626.db2.gz HSPOZDXUIGZXGZ-UHFFFAOYSA-N -1 3 336.363 3.761 20 30 EHEDHM CCOc1cc(/C=C\C(=O)c2cn3c(n2)CCCC3)cc(Cl)c1[O-] ZINC000806564649 1135461652 /nfs/dbraw/zinc/46/16/52/1135461652.db2.gz SOGJNNPLIINFLR-SREVYHEPSA-N -1 3 346.814 3.873 20 30 EHEDHM COc1ccc(C#N)cc1N=Cc1cc(Br)ccc1[O-] ZINC000747362256 1135504918 /nfs/dbraw/zinc/50/49/18/1135504918.db2.gz VBRZZNSSPKGBDE-UHFFFAOYSA-N -1 3 331.169 3.786 20 30 EHEDHM COc1cc(C(=O)/C=C/c2cccc(OCCCC#N)c2)ccc1[O-] ZINC000102598587 1135595274 /nfs/dbraw/zinc/59/52/74/1135595274.db2.gz RVJHKISIAYCOIG-VQHVLOKHSA-N -1 3 337.375 3.979 20 30 EHEDHM N#Cc1cc(NC(=O)c2cnc(Cl)c(Cl)c2Cl)ccc1[O-] ZINC001199334819 1135899097 /nfs/dbraw/zinc/89/90/97/1135899097.db2.gz QPDIBVSZPLWZFU-UHFFFAOYSA-N -1 3 342.569 3.871 20 30 EHEDHM O=C1[C@@H](/N=C/c2cc(Cl)ccc2[O-])CCN1c1ccccc1Cl ZINC000110129338 1136399418 /nfs/dbraw/zinc/39/94/18/1136399418.db2.gz XICFNMQQZSXUIM-ANKPHQHTSA-N -1 3 349.217 3.923 20 30 EHEDHM CCOc1cc(C=NN2CCCC[C@@H]2C)cc(Br)c1[O-] ZINC000853380085 1136529292 /nfs/dbraw/zinc/52/92/92/1136529292.db2.gz UDZRWBFYCUNXHA-NSHDSACASA-N -1 3 341.249 3.762 20 30 EHEDHM C=C(CC)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC001135603992 1136725598 /nfs/dbraw/zinc/72/55/98/1136725598.db2.gz VLFUXCWKKVVCOI-UHFFFAOYSA-N -1 3 344.436 3.701 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1cccc(C2CC2)c1 ZINC000822174542 1137051785 /nfs/dbraw/zinc/05/17/85/1137051785.db2.gz MKAHYAPBDAFKNK-UHFFFAOYSA-N -1 3 336.391 3.691 20 30 EHEDHM CC(=O)c1cccc(NC(=O)C2(c3ccc(C#N)cc3)CCCC2)c1[O-] ZINC000861717226 1137118781 /nfs/dbraw/zinc/11/87/81/1137118781.db2.gz CWOFLHHZFDNEAF-UHFFFAOYSA-N -1 3 348.402 3.917 20 30 EHEDHM [O-]c1ccc(F)c(C=NNc2ccc(Br)cc2)c1F ZINC000794488147 1137171672 /nfs/dbraw/zinc/17/16/72/1137171672.db2.gz DNTAPRQBKBPQTP-UHFFFAOYSA-N -1 3 327.128 3.879 20 30 EHEDHM COc1ccc2[nH]c(=NN=Cc3c(F)ccc([O-])c3F)c(C)cc2c1 ZINC000794526740 1137186073 /nfs/dbraw/zinc/18/60/73/1137186073.db2.gz PUJLFYACQXYALV-UHFFFAOYSA-N -1 3 343.333 3.982 20 30 EHEDHM COc1ccc2nc(NN=Cc3c(F)ccc([O-])c3F)c(C)cc2c1 ZINC000794526740 1137186074 /nfs/dbraw/zinc/18/60/74/1137186074.db2.gz PUJLFYACQXYALV-UHFFFAOYSA-N -1 3 343.333 3.982 20 30 EHEDHM N#CC(C(=O)Cc1c(F)cccc1F)=C([O-])C1(c2ccccc2)CC1 ZINC000845843303 1137311815 /nfs/dbraw/zinc/31/18/15/1137311815.db2.gz ZRIWXHKYPDGBTD-OAHLLOKOSA-N -1 3 339.341 3.517 20 30 EHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])Cc1c(F)cccc1F ZINC000845843303 1137311817 /nfs/dbraw/zinc/31/18/17/1137311817.db2.gz ZRIWXHKYPDGBTD-OAHLLOKOSA-N -1 3 339.341 3.517 20 30 EHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])C1CCC(F)(F)CC1 ZINC000845840453 1137314992 /nfs/dbraw/zinc/31/49/92/1137314992.db2.gz BTSVZIHESGMYIW-OAHLLOKOSA-N -1 3 331.362 3.822 20 30 EHEDHM CC(C)COC[C@H](N[C@H](C)c1cccc(C#N)c1[O-])c1ccco1 ZINC000866252823 1137339732 /nfs/dbraw/zinc/33/97/32/1137339732.db2.gz QXJCUVVAMNWRIW-PBHICJAKSA-N -1 3 328.412 3.921 20 30 EHEDHM C=C(C)CO[N-]C(=O)C[C@@H](C)c1ccc(F)c(Br)c1 ZINC000846533975 1137355708 /nfs/dbraw/zinc/35/57/08/1137355708.db2.gz QNSPJHWFFHWSRE-SNVBAGLBSA-N -1 3 330.197 3.706 20 30 EHEDHM COc1cc(C(=O)/C=C/c2ccnn2-c2ccc(F)cc2)ccc1[O-] ZINC000794935119 1137367096 /nfs/dbraw/zinc/36/70/96/1137367096.db2.gz WVTVYJBLTXYSKE-VQHVLOKHSA-N -1 3 338.338 3.622 20 30 EHEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1cccc(-c2nc3ccccc3s2)c1 ZINC001171365557 1137457544 /nfs/dbraw/zinc/45/75/44/1137457544.db2.gz CRWGUVUQAYMPOO-ZBEGNZNMSA-N -1 3 339.420 3.611 20 30 EHEDHM CCc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(CC)cc2)oc1CC ZINC000128733398 1137796464 /nfs/dbraw/zinc/79/64/64/1137796464.db2.gz YADLSPXOXRMAPU-MRXNPFEDSA-N -1 3 338.407 3.928 20 30 EHEDHM CCOC(=O)N1CCC([C@H](C)/N=C\c2cc(Cl)ccc2[O-])CC1 ZINC000777400951 1140062928 /nfs/dbraw/zinc/06/29/28/1140062928.db2.gz HPGOCZMEIBISKH-XHEYCZLTSA-N -1 3 338.835 3.722 20 30 EHEDHM CSc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000737192694 599157763 /nfs/dbraw/zinc/15/77/63/599157763.db2.gz LGRZVGRXNQOIGH-XBXARRHUSA-N -1 3 340.383 3.624 20 30 EHEDHM CSc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000737192694 599157766 /nfs/dbraw/zinc/15/77/66/599157766.db2.gz LGRZVGRXNQOIGH-XBXARRHUSA-N -1 3 340.383 3.624 20 30 EHEDHM C=C(C)CNc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000735402095 598604098 /nfs/dbraw/zinc/60/40/98/598604098.db2.gz HVJHKGCQTLDFQZ-UHFFFAOYSA-N -1 3 339.374 3.573 20 30 EHEDHM C=C(C)CNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000735402095 598604099 /nfs/dbraw/zinc/60/40/99/598604099.db2.gz HVJHKGCQTLDFQZ-UHFFFAOYSA-N -1 3 339.374 3.573 20 30 EHEDHM Cc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c(C)s1 ZINC000822161980 607456697 /nfs/dbraw/zinc/45/66/97/607456697.db2.gz VTTBAEQJYWRTQH-WAYWQWQTSA-N -1 3 328.372 3.580 20 30 EHEDHM Cc1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c(C)s1 ZINC000822161980 607456698 /nfs/dbraw/zinc/45/66/98/607456698.db2.gz VTTBAEQJYWRTQH-WAYWQWQTSA-N -1 3 328.372 3.580 20 30 EHEDHM COc1ccc2cc(CN[C@@H](C(=O)[O-])c3cccc(C#N)c3)ccc2c1 ZINC000832504916 601299575 /nfs/dbraw/zinc/29/95/75/601299575.db2.gz ZGFWIVNGJWTJLU-HXUWFJFHSA-N -1 3 346.386 3.636 20 30 EHEDHM CC(C)(C#N)CCCSCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000819892231 606986753 /nfs/dbraw/zinc/98/67/53/606986753.db2.gz ZYOBLRUMZYQRPJ-UHFFFAOYSA-N -1 3 345.472 3.699 20 30 EHEDHM CC(C)(C#N)CCCSCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000819892231 606986754 /nfs/dbraw/zinc/98/67/54/606986754.db2.gz ZYOBLRUMZYQRPJ-UHFFFAOYSA-N -1 3 345.472 3.699 20 30 EHEDHM N#C[C@H](Cc1ccccc1)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826380158 607844283 /nfs/dbraw/zinc/84/42/83/607844283.db2.gz PMECLCBOTCZAGP-ZDUSSCGKSA-N -1 3 341.827 3.747 20 30 EHEDHM N#C[C@H](Cc1ccccc1)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826380158 607844284 /nfs/dbraw/zinc/84/42/84/607844284.db2.gz PMECLCBOTCZAGP-ZDUSSCGKSA-N -1 3 341.827 3.747 20 30 EHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc2ccccc2c1 ZINC000826401597 607883819 /nfs/dbraw/zinc/88/38/19/607883819.db2.gz CCDGIGOTZNNHNT-VAWYXSNFSA-N -1 3 326.359 3.916 20 30 EHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc2ccccc2c1 ZINC000826401597 607883820 /nfs/dbraw/zinc/88/38/20/607883820.db2.gz CCDGIGOTZNNHNT-VAWYXSNFSA-N -1 3 326.359 3.916 20 30 EHEDHM O=C1c2cccc3c2[C@H](CCC3)C1=Cc1ccccc1-c1nnn[n-]1 ZINC000826475659 608109503 /nfs/dbraw/zinc/10/95/03/608109503.db2.gz MOAMNESXCRNXAY-QAEAHILHSA-N -1 3 328.375 3.567 20 30 EHEDHM O=C1c2cccc3c2[C@H](CCC3)C1=Cc1ccccc1-c1nn[n-]n1 ZINC000826475659 608109504 /nfs/dbraw/zinc/10/95/04/608109504.db2.gz MOAMNESXCRNXAY-QAEAHILHSA-N -1 3 328.375 3.567 20 30 EHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(Cl)c(F)c1 ZINC000826402454 608229750 /nfs/dbraw/zinc/22/97/50/608229750.db2.gz VCSKHQZTOZLJCM-SOFGYWHQSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000826402454 608229752 /nfs/dbraw/zinc/22/97/52/608229752.db2.gz VCSKHQZTOZLJCM-SOFGYWHQSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C1c2cccc3c2[C@@H](CCC3)C1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475563 608884224 /nfs/dbraw/zinc/88/42/24/608884224.db2.gz JYDJEXHQUWUDTJ-NCPSJORJSA-N -1 3 346.365 3.706 20 30 EHEDHM O=C1c2cccc3c2[C@@H](CCC3)C1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475563 608884227 /nfs/dbraw/zinc/88/42/27/608884227.db2.gz JYDJEXHQUWUDTJ-NCPSJORJSA-N -1 3 346.365 3.706 20 30 EHEDHM CCC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccs1 ZINC000825029680 609471057 /nfs/dbraw/zinc/47/10/57/609471057.db2.gz YGVNBUHNFGSSBL-UHFFFAOYSA-N -1 3 332.820 3.808 20 30 EHEDHM CCC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccs1 ZINC000825029680 609471058 /nfs/dbraw/zinc/47/10/58/609471058.db2.gz YGVNBUHNFGSSBL-UHFFFAOYSA-N -1 3 332.820 3.808 20 30 EHEDHM C=CCCC(C)(C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1C1CC1 ZINC001573328432 947406026 /nfs/dbraw/zinc/40/60/26/947406026.db2.gz WEBZODRPNDSESN-UHFFFAOYSA-N -1 3 340.431 3.610 20 30 EHEDHM C=CCCC(C)(C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1C1CC1 ZINC001573328432 947406031 /nfs/dbraw/zinc/40/60/31/947406031.db2.gz WEBZODRPNDSESN-UHFFFAOYSA-N -1 3 340.431 3.610 20 30 EHEDHM O=C(C=Cc1cccc(Cl)c1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400883 948219342 /nfs/dbraw/zinc/21/93/42/948219342.db2.gz KJSUUZUQBUPQIP-FNORWQNLSA-N -1 3 346.724 3.694 20 30 EHEDHM O=C(C=Cc1cccc(Cl)c1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400883 948219348 /nfs/dbraw/zinc/21/93/48/948219348.db2.gz KJSUUZUQBUPQIP-FNORWQNLSA-N -1 3 346.724 3.694 20 30 EHEDHM C=CC[C@H]1CCCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000656760183 975687884 /nfs/dbraw/zinc/68/78/84/975687884.db2.gz QNWHUFRNFKMLMI-AWEZNQCLSA-N -1 3 326.396 3.828 20 30 EHEDHM O=C([N-]c1nnc(C(F)(F)F)s1)c1cc(Cl)ccc1F ZINC000029284028 1014400013 /nfs/dbraw/zinc/40/00/13/1014400013.db2.gz TXVSLOWSZYRVOE-UHFFFAOYSA-N -1 3 325.674 3.986 20 30 EHEDHM C=C(C)CN(C)Cc1ccc(OCc2ccc(C(=O)[O-])o2)c(OC)c1 ZINC001588561585 983642522 /nfs/dbraw/zinc/64/25/22/983642522.db2.gz OBBQHGKRYZZSKC-UHFFFAOYSA-N -1 3 345.395 3.573 20 30 EHEDHM COc1ccc(-c2n[nH]cc2C=CC(=O)c2ccc([O-])c(C)c2)cc1 ZINC000728230759 1016238473 /nfs/dbraw/zinc/23/84/73/1016238473.db2.gz HMCOTMRUUZVGFJ-UXBLZVDNSA-N -1 3 334.375 3.995 20 30 EHEDHM N#CCCN(CC1CC1)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000179541879 1016874319 /nfs/dbraw/zinc/87/43/19/1016874319.db2.gz BTGYNLKWKQZSEG-UHFFFAOYSA-N -1 3 336.391 3.950 20 30 EHEDHM N#Cc1c([N-]C(=O)c2ncc(C#N)cc2Cl)sc2c1CCCC2 ZINC000459843709 1032502548 /nfs/dbraw/zinc/50/25/48/1032502548.db2.gz FUHIARQTOTVHEV-UHFFFAOYSA-N -1 3 342.811 3.671 20 30 EHEDHM C=CCCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000102321227 1022299897 /nfs/dbraw/zinc/29/98/97/1022299897.db2.gz RIIWFRLSMKZFAS-UHFFFAOYSA-N -1 3 344.436 3.701 20 30 EHEDHM Cc1csc(C(C#N)=C([O-])c2ccc(O[C@@H]3CC3(F)F)cc2)n1 ZINC000528906028 1033049303 /nfs/dbraw/zinc/04/93/03/1033049303.db2.gz CSDTZBROSFSXON-QWHCGFSZSA-N -1 3 334.347 3.728 20 30 EHEDHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC1CCC(F)(F)CC1 ZINC000330416683 1022582408 /nfs/dbraw/zinc/58/24/08/1022582408.db2.gz XHAFKQFGWKHQFR-UHFFFAOYSA-N -1 3 341.402 3.918 20 30 EHEDHM CC(=O)Nc1ccc([O-])c(C(=O)N2Cc3ccccc3C3(CC3)C2)c1 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DBVBYKDEWBHPPV-UHFFFAOYSA-N -1 3 338.337 3.864 20 30 EHEDHM FC(F)(F)c1cc(N=NCC2CCCCC2)ccc1-c1nn[n-]n1 ZINC000737631068 598314907 /nfs/dbraw/zinc/31/49/07/598314907.db2.gz DBVBYKDEWBHPPV-UHFFFAOYSA-N -1 3 338.337 3.864 20 30 EHEDHM C=CCOc1ccccc1CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000735436619 599436490 /nfs/dbraw/zinc/43/64/90/599436490.db2.gz PPRFREIJZJDZGN-UHFFFAOYSA-N -1 3 341.802 3.697 20 30 EHEDHM C=CCOc1ccccc1CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000735436619 599436494 /nfs/dbraw/zinc/43/64/94/599436494.db2.gz PPRFREIJZJDZGN-UHFFFAOYSA-N -1 3 341.802 3.697 20 30 EHEDHM Cc1cccc(CC(N=Nc2cccc(-c3nnn[n-]3)c2)C2CC2)c1 ZINC000737392283 599458627 /nfs/dbraw/zinc/45/86/27/599458627.db2.gz SEUZBYYKWKVHLP-UHFFFAOYSA-N -1 3 332.411 3.596 20 30 EHEDHM Cc1cccc(CC(N=Nc2cccc(-c3nn[n-]n3)c2)C2CC2)c1 ZINC000737392283 599458628 /nfs/dbraw/zinc/45/86/28/599458628.db2.gz SEUZBYYKWKVHLP-UHFFFAOYSA-N -1 3 332.411 3.596 20 30 EHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1cccc(Cl)c1 ZINC000822924101 607455372 /nfs/dbraw/zinc/45/53/72/607455372.db2.gz XIFTUURELZTYNT-SREVYHEPSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1cccc(Cl)c1 ZINC000822924101 607455373 /nfs/dbraw/zinc/45/53/73/607455373.db2.gz XIFTUURELZTYNT-SREVYHEPSA-N -1 3 328.734 3.555 20 30 EHEDHM CC(C)Oc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000827049753 601300624 /nfs/dbraw/zinc/30/06/24/601300624.db2.gz YONZTCJWCIZEKN-AUUYWEPGSA-N -1 3 338.407 3.822 20 30 EHEDHM CSc1cc(C)ccc1CN[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832774344 601644435 /nfs/dbraw/zinc/64/44/35/601644435.db2.gz IKICYFPPYHQYCY-QGZVFWFLSA-N -1 3 326.421 3.504 20 30 EHEDHM Cc1cc(C)c2c(c1)C(=O)C(=Cc1cccc(-c3nnn[n-]3)c1)CCO2 ZINC000822195250 606836186 /nfs/dbraw/zinc/83/61/86/606836186.db2.gz LUECXEUWTMNJJI-GDNBJRDFSA-N -1 3 346.390 3.532 20 30 EHEDHM Cc1cc(C)c2c(c1)C(=O)C(=Cc1cccc(-c3nn[n-]n3)c1)CCO2 ZINC000822195250 606836188 /nfs/dbraw/zinc/83/61/88/606836188.db2.gz LUECXEUWTMNJJI-GDNBJRDFSA-N -1 3 346.390 3.532 20 30 EHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(CCC)CCC ZINC000823910177 607794405 /nfs/dbraw/zinc/79/44/05/607794405.db2.gz YOSHVFCMYRFWFH-UHFFFAOYSA-N -1 3 341.459 3.598 20 30 EHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(CCC)CCC ZINC000823910177 607794406 /nfs/dbraw/zinc/79/44/06/607794406.db2.gz YOSHVFCMYRFWFH-UHFFFAOYSA-N -1 3 341.459 3.598 20 30 EHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000826402279 607884647 /nfs/dbraw/zinc/88/46/47/607884647.db2.gz QEYSFDLFMKXIAB-YFHOEESVSA-N -1 3 344.296 3.782 20 30 EHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(C(F)(F)F)cc1 ZINC000826402279 607884648 /nfs/dbraw/zinc/88/46/48/607884648.db2.gz QEYSFDLFMKXIAB-YFHOEESVSA-N -1 3 344.296 3.782 20 30 EHEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)c(F)c1 ZINC000826400635 608229774 /nfs/dbraw/zinc/22/97/74/608229774.db2.gz DBWALFKILYWBFU-QPJJXVBHSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)c(F)c1 ZINC000826400635 608229775 /nfs/dbraw/zinc/22/97/75/608229775.db2.gz DBWALFKILYWBFU-QPJJXVBHSA-N -1 3 328.734 3.555 20 30 EHEDHM COc1ccc(C=C2C(=O)c3cccc(C)c3[C@@H]2C)cc1-c1nnn[n-]1 ZINC000826191197 608317956 /nfs/dbraw/zinc/31/79/56/608317956.db2.gz ZRTKTJOXFPESHB-KMHUVPDISA-N -1 3 346.390 3.567 20 30 EHEDHM COc1ccc(C=C2C(=O)c3cccc(C)c3[C@@H]2C)cc1-c1nn[n-]n1 ZINC000826191197 608317958 /nfs/dbraw/zinc/31/79/58/608317958.db2.gz ZRTKTJOXFPESHB-KMHUVPDISA-N -1 3 346.390 3.567 20 30 EHEDHM CC[C@H]1C[C@H](C)CCC1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825184569 608750368 /nfs/dbraw/zinc/75/03/68/608750368.db2.gz WFWWCMOTCGJOKL-ZJUUUORDSA-N -1 3 333.827 3.529 20 30 EHEDHM CC[C@H]1C[C@H](C)CCC1N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825184569 608750371 /nfs/dbraw/zinc/75/03/71/608750371.db2.gz WFWWCMOTCGJOKL-ZJUUUORDSA-N -1 3 333.827 3.529 20 30 EHEDHM O=C(C=Cc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826399903 609272187 /nfs/dbraw/zinc/27/21/87/609272187.db2.gz JOPLTFCKEPMQJA-BAQGIRSFSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826399903 609272188 /nfs/dbraw/zinc/27/21/88/609272188.db2.gz JOPLTFCKEPMQJA-BAQGIRSFSA-N -1 3 328.734 3.555 20 30 EHEDHM Clc1cc(NN=Cc2ccccc2C2CC2)ccc1-c1nnn[n-]1 ZINC000826351277 609471593 /nfs/dbraw/zinc/47/15/93/609471593.db2.gz GJRCOHDYMCNUSX-UHFFFAOYSA-N -1 3 338.802 3.844 20 30 EHEDHM Clc1cc(NN=Cc2ccccc2C2CC2)ccc1-c1nn[n-]n1 ZINC000826351277 609471594 /nfs/dbraw/zinc/47/15/94/609471594.db2.gz GJRCOHDYMCNUSX-UHFFFAOYSA-N -1 3 338.802 3.844 20 30 EHEDHM Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc2cccnc12 ZINC000826266565 947770741 /nfs/dbraw/zinc/77/07/41/947770741.db2.gz TUVWBILJBCRRRN-RUDMXATFSA-N -1 3 341.374 3.619 20 30 EHEDHM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc2cccnc12 ZINC000826266565 947770751 /nfs/dbraw/zinc/77/07/51/947770751.db2.gz TUVWBILJBCRRRN-RUDMXATFSA-N -1 3 341.374 3.619 20 30 EHEDHM COCCOc1ccc(C([O-])=C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000080453273 1032065888 /nfs/dbraw/zinc/06/58/88/1032065888.db2.gz PFJSHFMWYJOOKR-OAHLLOKOSA-N -1 3 344.436 3.782 20 30 EHEDHM C=C(C)CCN(C(C)C)[C@H](C)C(=O)Nc1c(C)csc1C(=O)[O-] ZINC001588558866 983639090 /nfs/dbraw/zinc/63/90/90/983639090.db2.gz FOQFPPXHYBUDLV-CYBMUJFWSA-N -1 3 338.473 3.758 20 30 EHEDHM CC(C)(C)c1cnc(C(C#N)C(=O)c2cccc(CC(=O)[O-])c2)s1 ZINC001590515526 990127211 /nfs/dbraw/zinc/12/72/11/990127211.db2.gz PQHVCBJKMFTTRD-CYBMUJFWSA-N -1 3 342.420 3.558 20 30 EHEDHM CN(CC1(CC#N)CC1)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598441657 991855527 /nfs/dbraw/zinc/85/55/27/991855527.db2.gz GOGGPOJLNVNGHT-ZDUSSCGKSA-N -1 3 327.211 3.745 20 30 EHEDHM C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001593219057 994295662 /nfs/dbraw/zinc/29/56/62/994295662.db2.gz LTCFUSSVZWEVFO-SGTLLEGYSA-N -1 3 336.391 3.690 20 30 EHEDHM C[C@H](NCc1cc(Cl)cc(C#N)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001593292388 994676001 /nfs/dbraw/zinc/67/60/01/994676001.db2.gz KLBNEPLAUKKFLF-LBPRGKRZSA-N -1 3 344.798 3.526 20 30 EHEDHM C=CCCC[C@@H](N)c1nc(-c2cc(Cl)c([O-])c(OCC)c2)no1 ZINC000904684770 1032179480 /nfs/dbraw/zinc/17/94/80/1032179480.db2.gz WIAJHQQCIWWRPB-GFCCVEGCSA-N -1 3 337.807 3.850 20 30 EHEDHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3coc(C4CC4)n3)sc2C1 ZINC000614392696 1018950104 /nfs/dbraw/zinc/95/01/04/1018950104.db2.gz FLYKKNCXFBRCQH-SECBINFHSA-N -1 3 327.409 3.862 20 30 EHEDHM Cc1nocc1C(=O)[N-]c1sc2c(c1C#N)CC[C@@H](C(C)C)C2 ZINC000602341220 1032813092 /nfs/dbraw/zinc/81/30/92/1032813092.db2.gz JRHCRTPMJZXYRC-LLVKDONJSA-N -1 3 329.425 3.929 20 30 EHEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc3c(c2)OCO3)s1 ZINC000430587615 1020806568 /nfs/dbraw/zinc/80/65/68/1020806568.db2.gz WQXQHDOKRZKLPF-NSHDSACASA-N -1 3 328.393 3.659 20 30 EHEDHM Cc1cccc(S(=O)(=O)[N-]c2cc(C)c(F)cc2Cl)c1C#N ZINC000507569034 1021353788 /nfs/dbraw/zinc/35/37/88/1021353788.db2.gz VTTBFLPQTRKQLR-UHFFFAOYSA-N -1 3 338.791 3.768 20 30 EHEDHM O=C([N-][C@H](c1ccccc1C(F)(F)F)C(F)(F)F)C1(F)CC1 ZINC000843574589 1021855396 /nfs/dbraw/zinc/85/53/96/1021855396.db2.gz FBRSTZMRLSNRON-SECBINFHSA-N -1 3 329.215 3.927 20 30 EHEDHM C=CCN(C)CCN(CC)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC001626750826 1022337283 /nfs/dbraw/zinc/33/72/83/1022337283.db2.gz IRGJHBIIQBBDQU-UHFFFAOYSA-N -1 3 346.858 3.779 20 30 EHEDHM Cc1nc([C@H]2CCCOC2)sc1C(=O)Nc1cc(F)ccc1[O-] ZINC000328935350 1022534973 /nfs/dbraw/zinc/53/49/73/1022534973.db2.gz FPJKCUAKKOWADM-JTQLQIEISA-N -1 3 336.388 3.827 20 30 EHEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000522574626 1024091257 /nfs/dbraw/zinc/09/12/57/1024091257.db2.gz CUOSBTGMMVXDQH-SNVBAGLBSA-N -1 3 342.873 3.706 20 30 EHEDHM Cc1nc(NC(=O)c2ccc(C)c(C)c2[O-])sc1SCC#N ZINC000053650883 1024378359 /nfs/dbraw/zinc/37/83/59/1024378359.db2.gz WUXBGYCTISWWBN-UHFFFAOYSA-N -1 3 333.438 3.642 20 30 EHEDHM C=C[C@@H]1OCC[C@H]1[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843601779 1024701440 /nfs/dbraw/zinc/70/14/40/1024701440.db2.gz KMMJBMSVRKLLJL-MNOVXSKESA-N -1 3 336.165 3.545 20 30 EHEDHM C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1cc2ccccc2s1 ZINC001211536594 1024713745 /nfs/dbraw/zinc/71/37/45/1024713745.db2.gz VUUNQFZHWCJGTK-JTQLQIEISA-N -1 3 348.474 3.874 20 30 EHEDHM Cc1oc(C#N)cc1C(=O)[N-]c1nnc(-c2ccc(C)cc2C)s1 ZINC000436139995 1025411729 /nfs/dbraw/zinc/41/17/29/1025411729.db2.gz GUKUEAZNJYUBIQ-UHFFFAOYSA-N -1 3 338.392 3.847 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC(C)(C)C1CCCC1 ZINC000158129636 1025993845 /nfs/dbraw/zinc/99/38/45/1025993845.db2.gz XKTCLTJKTQNLAE-UHFFFAOYSA-N -1 3 344.455 3.556 20 30 EHEDHM N#CC(=C([O-])C=Cc1ccco1)c1nc2ccccc2n1C(F)F ZINC000051655309 1026157760 /nfs/dbraw/zinc/15/77/60/1026157760.db2.gz KNOOGHDIHRQXHT-GUOLPTJISA-N -1 3 327.290 3.914 20 30 EHEDHM [O-]c1c(O)ccc(C=Nc2ccc(Cl)cc2Br)c1O ZINC000255510464 1026564950 /nfs/dbraw/zinc/56/49/50/1026564950.db2.gz FRFMFMOFNDBYSZ-UHFFFAOYSA-N -1 3 342.576 3.970 20 30 EHEDHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(C#N)cc2)c(C)c1C ZINC000016129078 1028980025 /nfs/dbraw/zinc/98/00/25/1028980025.db2.gz FWPMHDVZDUNMIZ-UHFFFAOYSA-N -1 3 328.437 3.901 20 30 EHEDHM Cc1ccc(/N=C/c2cccc([O-])c2O)cc1C(=O)N1CCCCC1 ZINC000278143081 1029309304 /nfs/dbraw/zinc/30/93/04/1029309304.db2.gz ACNBKEHBMAKLIH-FYJGNVAPSA-N -1 3 338.407 3.783 20 30 EHEDHM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000161054727 1031273226 /nfs/dbraw/zinc/27/32/26/1031273226.db2.gz XTXTZNPGNFTFDR-UHFFFAOYSA-N -1 3 341.219 3.974 20 30 EHEDHM CCOC1CC(CC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C1 ZINC000904181012 1031804045 /nfs/dbraw/zinc/80/40/45/1031804045.db2.gz QNYSIPDFCUNTGR-UHFFFAOYSA-N -1 3 332.227 3.916 20 30 EHEDHM C=C(C)[C@H](N[C@@H]1C[C@H](NC(=O)[O-])C12CCC2)c1ccc(F)c(F)c1 ZINC000904233921 1031879771 /nfs/dbraw/zinc/87/97/71/1031879771.db2.gz YILRMJGVFLZEAY-PMPSAXMXSA-N -1 3 336.382 3.750 20 30 EHEDHM N#CCOc1ccc(C/N=C/c2cc(Br)ccc2[O-])cc1 ZINC000171389465 1034371661 /nfs/dbraw/zinc/37/16/61/1034371661.db2.gz OLNDUKBKRLWYEB-YBFXNURJSA-N -1 3 345.196 3.676 20 30 EHEDHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000091990238 1034722739 /nfs/dbraw/zinc/72/27/39/1034722739.db2.gz FMFOWSOIYBUURA-RTBURBONSA-N -1 3 334.419 3.867 20 30 EHEDHM CC(C)n1ncc2c1nc(C1CC1)cc2C([O-])=C(C#N)c1ccccn1 ZINC000041493455 1038098803 /nfs/dbraw/zinc/09/88/03/1038098803.db2.gz PEQIZRBRPJRORY-OAHLLOKOSA-N -1 3 345.406 3.775 20 30 EHEDHM Cc1csc(C(C#N)=C([O-])c2ccc(-n3nc(C)cc3C)cc2)n1 ZINC000041520530 1038116790 /nfs/dbraw/zinc/11/67/90/1038116790.db2.gz QFOPFKGWQBNGOQ-INIZCTEOSA-N -1 3 336.420 3.744 20 30 EHEDHM CC[C@@H](C)Sc1ccc([N-]S(=O)(=O)[C@H](C#N)CC)c(C)c1 ZINC000416948432 1039254000 /nfs/dbraw/zinc/25/40/00/1039254000.db2.gz ZBQTUDRXMSXELA-OCCSQVGLSA-N -1 3 326.487 3.930 20 30 EHEDHM CCc1c(C)sc([N-]C(=O)c2snnc2C(C)(C)C)c1C#N ZINC000489927136 1040240621 /nfs/dbraw/zinc/24/06/21/1040240621.db2.gz SABUTEXIEIZBPR-UHFFFAOYSA-N -1 3 334.470 3.892 20 30 EHEDHM COc1cc(C(=O)/C=C/c2c(Cl)nc3ccccn32)ccc1[O-] ZINC000032812238 1043007599 /nfs/dbraw/zinc/00/75/99/1043007599.db2.gz KKALLMJIBNGGHD-SOFGYWHQSA-N -1 3 328.755 3.598 20 30 EHEDHM C=CCc1cc(C(=O)Nc2cc(F)ccc2[O-])cc(OC)c1OC ZINC000174890366 1126862944 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C=CCC[C@@H](NCC(=O)Nc1ccccc1C(=O)[O-])c1ccccc1 ZINC000833373267 605144095 /nfs/dbraw/zinc/14/40/95/605144095.db2.gz JCDNRBSEYPOZTM-QGZVFWFLSA-N -1 3 338.407 3.620 20 30 EHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Cl)s1 ZINC000826401218 607916166 /nfs/dbraw/zinc/91/61/66/607916166.db2.gz SQPSKIVMMMPQJT-DUXPYHPUSA-N -1 3 334.763 3.617 20 30 EHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Cl)s1 ZINC000826401218 607916167 /nfs/dbraw/zinc/91/61/67/607916167.db2.gz SQPSKIVMMMPQJT-DUXPYHPUSA-N -1 3 334.763 3.617 20 30 EHEDHM Cc1cccc2c1[C@H](C)C(=Cc1ccc(F)c(-c3nnn[n-]3)c1)C2=O ZINC000826305101 608883624 /nfs/dbraw/zinc/88/36/24/608883624.db2.gz KOOOHGKXNXKQLV-ZEVOCZHWSA-N -1 3 334.354 3.698 20 30 EHEDHM Cc1cccc2c1[C@H](C)C(=Cc1ccc(F)c(-c3nn[n-]n3)c1)C2=O ZINC000826305101 608883625 /nfs/dbraw/zinc/88/36/25/608883625.db2.gz KOOOHGKXNXKQLV-ZEVOCZHWSA-N -1 3 334.354 3.698 20 30 EHEDHM Cc1oc2ccccc2c1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826342211 609270754 /nfs/dbraw/zinc/27/07/54/609270754.db2.gz 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C[C@@H](C#N)S(=O)(=O)[N-]c1c(Cl)c(Cl)cc(Cl)c1Cl ZINC001193148870 1135109710 /nfs/dbraw/zinc/10/97/10/1135109710.db2.gz GDEVMNXHFJPNCL-BYPYZUCNSA-N -1 3 348.038 3.954 20 30 EHEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1nc(-c2cccc(F)c2)no1 ZINC000775740039 1135600572 /nfs/dbraw/zinc/60/05/72/1135600572.db2.gz JTHRQOGILHKBCY-UWVJOHFNSA-N -1 3 331.734 3.854 20 30 EHEDHM C#Cc1ccccc1[N-]S(=O)(=O)Cc1cc(Cl)ccc1Cl ZINC001197529293 1135698796 /nfs/dbraw/zinc/69/87/96/1135698796.db2.gz JJJQVQRYNAVTJG-UHFFFAOYSA-N -1 3 340.231 3.917 20 30 EHEDHM N#Cc1oc2ccccc2c1[N-]C(=O)c1cccnc1OCC1CC1 ZINC001197662420 1135717231 /nfs/dbraw/zinc/71/72/31/1135717231.db2.gz HCMLNMZUPKWYCY-UHFFFAOYSA-N -1 3 333.347 3.741 20 30 EHEDHM COc1ccc(S(=O)(=O)[N-]c2cccc(C(C)(C)C#N)c2)c(C)c1 ZINC001198941540 1135868122 /nfs/dbraw/zinc/86/81/22/1135868122.db2.gz FWMAAEZHJAFOME-UHFFFAOYSA-N -1 3 344.436 3.606 20 30 EHEDHM COc1ccc(C(=O)/C=C\c2cc(Cl)c([O-])c(OC)c2)cc1O ZINC000811698218 1136127258 /nfs/dbraw/zinc/12/72/58/1136127258.db2.gz 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ZINC000862569508 1137150686 /nfs/dbraw/zinc/15/06/86/1137150686.db2.gz ATAOPJGPTKZCTA-LJQANCHMSA-N -1 3 333.431 3.663 20 30 EHEDHM CC(=NNc1nc2ccccc2[n-]c1=S)c1cn2c(n1)CCCC2 ZINC000863125162 1137170936 /nfs/dbraw/zinc/17/09/36/1137170936.db2.gz OHVOAJBLLXEIDW-UHFFFAOYSA-N -1 3 338.440 3.661 20 30 EHEDHM COc1cc(OC)c(/C=C\C(=O)c2ccc([O-])c(C)c2)c(OC)c1 ZINC000794707116 1137238976 /nfs/dbraw/zinc/23/89/76/1137238976.db2.gz JZBZJQJAWXOORN-VURMDHGXSA-N -1 3 328.364 3.623 20 30 EHEDHM N#CC(C(=O)C1=CCCCC1)=C([O-])c1sccc1Br ZINC000845846726 1137312282 /nfs/dbraw/zinc/31/22/82/1137312282.db2.gz YZFYUOGWJHTTKP-SNVBAGLBSA-N -1 3 338.226 3.903 20 30 EHEDHM Cc1cccc(O[C@H](C)C(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)c1 ZINC000845836152 1137314583 /nfs/dbraw/zinc/31/45/83/1137314583.db2.gz HIKNSQMJXUDICQ-VQIMIIECSA-N -1 3 347.414 3.772 20 30 EHEDHM CC[C@H](CC(F)(F)F)C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845842101 1137315494 /nfs/dbraw/zinc/31/54/94/1137315494.db2.gz DGRPEOSOQNCCBS-OCCSQVGLSA-N -1 3 337.341 3.975 20 30 EHEDHM CCCCOc1ncccc1CN[C@@H](C)c1cccc(C#N)c1[O-] ZINC000866242379 1137338401 /nfs/dbraw/zinc/33/84/01/1137338401.db2.gz NXVCIRNSMVZSDO-AWEZNQCLSA-N -1 3 325.412 3.689 20 30 EHEDHM CC(C)COC[C@@H](N[C@@H](C)c1cccc(C#N)c1[O-])c1ccco1 ZINC000866252825 1137339641 /nfs/dbraw/zinc/33/96/41/1137339641.db2.gz QXJCUVVAMNWRIW-WMLDXEAASA-N -1 3 328.412 3.921 20 30 EHEDHM Cc1ccc2nc(C(=O)[N-]c3nc4ncccc4cc3C#N)sc2c1 ZINC001147554342 1137409111 /nfs/dbraw/zinc/40/91/11/1137409111.db2.gz OXJWUWBWHIKXDJ-UHFFFAOYSA-N -1 3 345.387 3.672 20 30 EHEDHM C=CCOc1ccccc1/C=C/C(=O)c1cc(OC)c([O-])cc1OC ZINC000122492909 1137444229 /nfs/dbraw/zinc/44/42/29/1137444229.db2.gz FDXVUBMWXZOVRA-MDZDMXLPSA-N -1 3 340.375 3.870 20 30 EHEDHM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])C=Cc1cncc(F)c1 ZINC000136142814 1138019682 /nfs/dbraw/zinc/01/96/82/1138019682.db2.gz JHAAUCAOHNELOF-FYCOFBDGSA-N -1 3 347.349 3.615 20 30 EHEDHM [O-]c1ccc(Cl)cc1/C=N\CC[C@@H]1CCC2(CCOCC2)CO1 ZINC000887270459 1138252217 /nfs/dbraw/zinc/25/22/17/1138252217.db2.gz NTYPTEPEEMLZEQ-DEFALTHMSA-N -1 3 337.847 3.830 20 30 EHEDHM CC(C)COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735838346 598391803 /nfs/dbraw/zinc/39/18/03/598391803.db2.gz OXYKRCMMWNCNTC-XGICHPGQSA-N -1 3 348.406 3.798 20 30 EHEDHM CC(C)COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735838346 598391804 /nfs/dbraw/zinc/39/18/04/598391804.db2.gz OXYKRCMMWNCNTC-XGICHPGQSA-N -1 3 348.406 3.798 20 30 EHEDHM C[C@@H](SCc1ccc(-c2nnn[n-]2)cc1F)c1ccc(C#N)cc1 ZINC000736191058 599330740 /nfs/dbraw/zinc/33/07/40/599330740.db2.gz VOOYFXADMUTTQF-LLVKDONJSA-N -1 3 339.399 3.872 20 30 EHEDHM C[C@@H](SCc1ccc(-c2nn[n-]n2)cc1F)c1ccc(C#N)cc1 ZINC000736191058 599330741 /nfs/dbraw/zinc/33/07/41/599330741.db2.gz VOOYFXADMUTTQF-LLVKDONJSA-N -1 3 339.399 3.872 20 30 EHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)s1 ZINC000822923535 607455173 /nfs/dbraw/zinc/45/51/73/607455173.db2.gz SQPMTCTYLXCMHD-ONEGZZNKSA-N -1 3 334.763 3.617 20 30 EHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)s1 ZINC000822923535 607455175 /nfs/dbraw/zinc/45/51/75/607455175.db2.gz SQPMTCTYLXCMHD-ONEGZZNKSA-N -1 3 334.763 3.617 20 30 EHEDHM Cc1cc(C)c2c(c1)C(=O)C(=Cc1cccc(-c3nnn[n-]3)c1)CCO2 ZINC000822195251 606836374 /nfs/dbraw/zinc/83/63/74/606836374.db2.gz LUECXEUWTMNJJI-XNTDXEJSSA-N -1 3 346.390 3.532 20 30 EHEDHM Cc1cc(C)c2c(c1)C(=O)C(=Cc1cccc(-c3nn[n-]n3)c1)CCO2 ZINC000822195251 606836376 /nfs/dbraw/zinc/83/63/76/606836376.db2.gz LUECXEUWTMNJJI-XNTDXEJSSA-N -1 3 346.390 3.532 20 30 EHEDHM N#Cc1ccccc1CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822842700 606854525 /nfs/dbraw/zinc/85/45/25/606854525.db2.gz UPSBXGQCQRZKPB-UHFFFAOYSA-N -1 3 327.800 3.684 20 30 EHEDHM N#Cc1ccccc1CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822842700 606854527 /nfs/dbraw/zinc/85/45/27/606854527.db2.gz UPSBXGQCQRZKPB-UHFFFAOYSA-N -1 3 327.800 3.684 20 30 EHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc2cc(O)ccc2c1 ZINC000826402065 607884754 /nfs/dbraw/zinc/88/47/54/607884754.db2.gz MKMIHPDAOPVFEU-NTMALXAHSA-N -1 3 342.358 3.622 20 30 EHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc2cc(O)ccc2c1 ZINC000826402065 607884755 /nfs/dbraw/zinc/88/47/55/607884755.db2.gz MKMIHPDAOPVFEU-NTMALXAHSA-N -1 3 342.358 3.622 20 30 EHEDHM O=C1c2cccc3c2[C@@H](CCC3)C1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475560 608884798 /nfs/dbraw/zinc/88/47/98/608884798.db2.gz JYDJEXHQUWUDTJ-GRRFOWRYSA-N -1 3 346.365 3.706 20 30 EHEDHM O=C1c2cccc3c2[C@@H](CCC3)C1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475560 608884799 /nfs/dbraw/zinc/88/47/99/608884799.db2.gz JYDJEXHQUWUDTJ-GRRFOWRYSA-N -1 3 346.365 3.706 20 30 EHEDHM CC(=NNc1cccc2ccccc21)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823963138 609159885 /nfs/dbraw/zinc/15/98/85/609159885.db2.gz WQDHZAPOZURQCS-UHFFFAOYSA-N -1 3 346.369 3.995 20 30 EHEDHM CC(=NNc1cccc2ccccc21)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823963138 609159887 /nfs/dbraw/zinc/15/98/87/609159887.db2.gz WQDHZAPOZURQCS-UHFFFAOYSA-N -1 3 346.369 3.995 20 30 EHEDHM CCc1ccc(C(C)=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000825704616 609473470 /nfs/dbraw/zinc/47/34/70/609473470.db2.gz KPOCGYOLTCKJAD-UHFFFAOYSA-N -1 3 330.779 3.512 20 30 EHEDHM CCc1ccc(C(C)=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000825704616 609473471 /nfs/dbraw/zinc/47/34/71/609473471.db2.gz KPOCGYOLTCKJAD-UHFFFAOYSA-N -1 3 330.779 3.512 20 30 EHEDHM C#CCCCCCC(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1 ZINC001573281930 946681988 /nfs/dbraw/zinc/68/19/88/946681988.db2.gz CHRCICASZZCLPA-UHFFFAOYSA-N -1 3 345.472 3.748 20 30 EHEDHM C#CCCCCCC(=O)Nc1scc(C(C)(C)C)c1-c1nn[n-]n1 ZINC001573281930 946681992 /nfs/dbraw/zinc/68/19/92/946681992.db2.gz CHRCICASZZCLPA-UHFFFAOYSA-N -1 3 345.472 3.748 20 30 EHEDHM Cc1oc2ccccc2c1C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826342665 947983687 /nfs/dbraw/zinc/98/36/87/947983687.db2.gz VIGGLYBXTFXCIB-CMDGGOBGSA-N -1 3 348.337 3.957 20 30 EHEDHM Cc1oc2ccccc2c1C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826342665 947983691 /nfs/dbraw/zinc/98/36/91/947983691.db2.gz VIGGLYBXTFXCIB-CMDGGOBGSA-N -1 3 348.337 3.957 20 30 EHEDHM C=CCOc1ccc(CN[C@@H](C(=O)[O-])c2cccs2)cc1Cl ZINC000426824565 974049524 /nfs/dbraw/zinc/04/95/24/974049524.db2.gz IOLMAEQPFZMDBT-OAHLLOKOSA-N -1 3 337.828 3.882 20 30 EHEDHM COc1ccccc1OCc1ccc(C([O-])=C(C#N)c2ccccn2)o1 ZINC000049457714 1014179106 /nfs/dbraw/zinc/17/91/06/1014179106.db2.gz ZAJFDYUCZSZKLR-OAHLLOKOSA-N -1 3 348.358 3.752 20 30 EHEDHM Cc1cc(=O)[n-]c([C@@H](C)Sc2nc(C(F)(F)F)ccc2C#N)n1 ZINC000274971294 1015686963 /nfs/dbraw/zinc/68/69/63/1015686963.db2.gz DGCTVTVWKURQPL-MRVPVSSYSA-N -1 3 340.330 3.629 20 30 EHEDHM N#CC[C@@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000597906735 1032744633 /nfs/dbraw/zinc/74/46/33/1032744633.db2.gz QUVJRMAMVFZOFB-KRWDZBQOSA-N -1 3 334.419 3.749 20 30 EHEDHM COc1cc(C(=O)/C=C\c2cc(Cl)c3c(c2)OCCO3)ccc1[O-] ZINC000211667468 1018511597 /nfs/dbraw/zinc/51/15/97/1018511597.db2.gz LOVXTLZYLVMLQF-RQOWECAXSA-N -1 3 346.766 3.722 20 30 EHEDHM O=C1OCCN1Cc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1 ZINC000255628015 1019716225 /nfs/dbraw/zinc/71/62/25/1019716225.db2.gz FAXFEYCLIVMBJH-UHFFFAOYSA-N -1 3 330.771 3.748 20 30 EHEDHM N#CCC1(CNC(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000437005843 1021462817 /nfs/dbraw/zinc/46/28/17/1021462817.db2.gz XCYWTBHOULHQGO-UHFFFAOYSA-N -1 3 334.419 3.601 20 30 EHEDHM CC1(C)COc2ccc(C([O-])=C(C#N)c3cnc4ccccc4n3)cc21 ZINC000517061603 1021988842 /nfs/dbraw/zinc/98/88/42/1021988842.db2.gz DJQLKWXNFCSCFJ-CQSZACIVSA-N -1 3 343.386 3.790 20 30 EHEDHM COc1ccc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)cc1OC ZINC000018917380 1022040796 /nfs/dbraw/zinc/04/07/96/1022040796.db2.gz UKFHZQVQSFOGKK-BKLZJWBFSA-N -1 3 328.339 3.932 20 30 EHEDHM Cc1nc(-c2ccc(NC(=O)NC3CCCCC3)cc2)cc(=O)[n-]1 ZINC000328664654 1022457665 /nfs/dbraw/zinc/45/76/65/1022457665.db2.gz YPZWXDPYNHDVKV-UHFFFAOYSA-N -1 3 326.400 3.816 20 30 EHEDHM CC[C@@H](c1nnc([N-]C(=O)c2cnccc2C#N)s1)c1ccccc1 ZINC000342045458 1023768707 /nfs/dbraw/zinc/76/87/07/1023768707.db2.gz LVPXDYVARMQUPI-CQSZACIVSA-N -1 3 349.419 3.599 20 30 EHEDHM Cc1nc(CC2CC2)oc1C(=O)[N-]c1ncn(C2CCCCC2)n1 ZINC000330027477 1024294117 /nfs/dbraw/zinc/29/41/17/1024294117.db2.gz NEJGNERUGNOMDR-UHFFFAOYSA-N -1 3 329.404 3.669 20 30 EHEDHM COc1ccc(C(=O)N(C)C)cc1N=Cc1cc(Cl)ccc1[O-] ZINC000255501151 1026003911 /nfs/dbraw/zinc/00/39/11/1026003911.db2.gz BYJOWANCNIOKDL-UHFFFAOYSA-N -1 3 332.787 3.507 20 30 EHEDHM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(OC)cc1C ZINC000443418009 1026027602 /nfs/dbraw/zinc/02/76/02/1026027602.db2.gz MEJXAFDGHPKMBN-UHFFFAOYSA-N -1 3 331.437 3.923 20 30 EHEDHM CCOC(=O)Nc1ccc(NCc2cc([O-])cc(F)c2)cc1C#N ZINC000186406029 1026728717 /nfs/dbraw/zinc/72/87/17/1026728717.db2.gz DGSLZWQQYVDECH-UHFFFAOYSA-N -1 3 329.331 3.583 20 30 EHEDHM Cc1cc2cc[nH]c2cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000444457540 1027925808 /nfs/dbraw/zinc/92/58/08/1027925808.db2.gz QZNBZSUIJSKAHC-UHFFFAOYSA-N -1 3 348.406 3.637 20 30 EHEDHM N#Cc1ccc(CCC(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000176438939 1028969232 /nfs/dbraw/zinc/96/92/32/1028969232.db2.gz IRSIBTUYNNFYNQ-UHFFFAOYSA-N -1 3 345.196 3.598 20 30 EHEDHM O=C(CC(F)(F)F)[N-][C@H](c1c[nH]c2cccc(F)c21)C(F)(F)F ZINC000648581752 1029633156 /nfs/dbraw/zinc/63/31/56/1029633156.db2.gz FSVGYLGMSZDXSO-LLVKDONJSA-N -1 3 342.214 3.979 20 30 EHEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(CC)ccc1[O-] ZINC000537639392 1030475783 /nfs/dbraw/zinc/47/57/83/1030475783.db2.gz GOPQSYWIRXAFRZ-UHFFFAOYSA-N -1 3 325.408 3.792 20 30 EHEDHM O=C(c1cnn(CCC(F)(F)F)c1)N([O-])Cc1ccccc1Cl ZINC000904191140 1031837601 /nfs/dbraw/zinc/83/76/01/1031837601.db2.gz VFBYFSNGPPQGBZ-UHFFFAOYSA-N -1 3 347.724 3.521 20 30 EHEDHM O=C(c1cnc([C@@H]2CCCO2)s1)N([O-])Cc1ccccc1Cl ZINC000904191102 1031837841 /nfs/dbraw/zinc/83/78/41/1031837841.db2.gz SZJXGIUVPFDHRP-LBPRGKRZSA-N -1 3 338.816 3.680 20 30 EHEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2ccccc2Cl)cc1Cl ZINC000059291751 1033516043 /nfs/dbraw/zinc/51/60/43/1033516043.db2.gz FNCMRRKRTCOJSQ-UHFFFAOYSA-N -1 3 341.219 3.807 20 30 EHEDHM N#CC(=C([O-])c1cccc(Cn2ccnc2)c1)c1nc(C2CC2)cs1 ZINC000647379775 1034123452 /nfs/dbraw/zinc/12/34/52/1034123452.db2.gz 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EHEDHM Cc1ccnc(Cl)c1[N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000844825830 1137257388 /nfs/dbraw/zinc/25/73/88/1137257388.db2.gz NFMDTDBXIUDYMQ-UHFFFAOYSA-N -1 3 349.843 3.645 20 30 EHEDHM N=C(Nc1ccccc1C=CC(=O)[O-])c1ccc2cc(O)ccc2c1 ZINC001171182950 1137293580 /nfs/dbraw/zinc/29/35/80/1137293580.db2.gz XKLOGPCVQYIWHS-CSKARUKUSA-N -1 3 332.359 3.680 20 30 EHEDHM COc1cc(F)c([C@H](C)N[C@H](C)c2cccc(C#N)c2[O-])cc1OC ZINC000866266571 1137340848 /nfs/dbraw/zinc/34/08/48/1137340848.db2.gz LRPXTWGIEUOMIO-NEPJUHHUSA-N -1 3 344.386 3.832 20 30 EHEDHM COc1cnc(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)c(F)c1 ZINC000875496074 1137634262 /nfs/dbraw/zinc/63/42/62/1137634262.db2.gz CDSAMRVPOZLGHZ-UHFFFAOYSA-N -1 3 333.388 3.712 20 30 EHEDHM COc1ccc(Nc2cc(OC)cc(Br)c2[O-])c(C#N)c1 ZINC001212783369 1137739868 /nfs/dbraw/zinc/73/98/68/1137739868.db2.gz HDOUNQJHFPMZOV-UHFFFAOYSA-N -1 3 349.184 3.787 20 30 EHEDHM COCCOc1ccc(C#N)cc1N[C@H](C)c1c([O-])cccc1F ZINC000886588350 1138099959 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C=C(C)CNc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000819722236 599131679 /nfs/dbraw/zinc/13/16/79/599131679.db2.gz DYOBLVNUUHTWAV-UHFFFAOYSA-N -1 3 325.347 3.786 20 30 EHEDHM C=C(C)CNc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000819722236 599131681 /nfs/dbraw/zinc/13/16/81/599131681.db2.gz DYOBLVNUUHTWAV-UHFFFAOYSA-N -1 3 325.347 3.786 20 30 EHEDHM C=CCCNc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000819740445 599132028 /nfs/dbraw/zinc/13/20/28/599132028.db2.gz ZRFQCTJQOSPIIL-UHFFFAOYSA-N -1 3 325.347 3.786 20 30 EHEDHM C=CCCNc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000819740445 599132032 /nfs/dbraw/zinc/13/20/32/599132032.db2.gz ZRFQCTJQOSPIIL-UHFFFAOYSA-N -1 3 325.347 3.786 20 30 EHEDHM Cc1cc(C)c(C#N)c(S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737240303 599285502 /nfs/dbraw/zinc/28/55/02/599285502.db2.gz JMQAXVJKLHKLRE-LBPRGKRZSA-N -1 3 336.424 3.604 20 30 EHEDHM Cc1cc(C)c(C#N)c(S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737240303 599285506 /nfs/dbraw/zinc/28/55/06/599285506.db2.gz JMQAXVJKLHKLRE-LBPRGKRZSA-N -1 3 336.424 3.604 20 30 EHEDHM CC(C)C(Cc1ccc(F)cc1)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000820020615 599333461 /nfs/dbraw/zinc/33/34/61/599333461.db2.gz IKIIKMASPCFODR-UHFFFAOYSA-N -1 3 338.390 3.672 20 30 EHEDHM CC(C)C(Cc1ccc(F)cc1)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000820020615 599333463 /nfs/dbraw/zinc/33/34/63/599333463.db2.gz IKIIKMASPCFODR-UHFFFAOYSA-N -1 3 338.390 3.672 20 30 EHEDHM COc1ccc2ccccc2c1CN[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832504213 601299627 /nfs/dbraw/zinc/29/96/27/601299627.db2.gz IJAYEHOOCPSAHO-FQEVSTJZSA-N -1 3 346.386 3.636 20 30 EHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc2ccccc2c1 ZINC000822923783 606302817 /nfs/dbraw/zinc/30/28/17/606302817.db2.gz UJDPZCQARMMGCZ-FPLPWBNLSA-N -1 3 332.388 3.978 20 30 EHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc2ccccc2c1 ZINC000822923783 606302820 /nfs/dbraw/zinc/30/28/20/606302820.db2.gz UJDPZCQARMMGCZ-FPLPWBNLSA-N -1 3 332.388 3.978 20 30 EHEDHM Clc1ccc(NN=Cc2ccc(-c3nnn[n-]3)s2)cc1Cl ZINC000822578948 606371130 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CC(C)(C#N)c1ccccc1CSc1cccc(-c2nn[n-]n2)c1 ZINC000819891552 607169271 /nfs/dbraw/zinc/16/92/71/607169271.db2.gz AUSMJOYYODJVIC-UHFFFAOYSA-N -1 3 335.436 3.960 20 30 EHEDHM O=C1c2cccc3c2[C@@H](CCC3)C1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000826475411 608109571 /nfs/dbraw/zinc/10/95/71/608109571.db2.gz FTESXBTYQQLOOO-LIOBOASVSA-N -1 3 334.404 3.628 20 30 EHEDHM O=C1c2cccc3c2[C@@H](CCC3)C1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000826475411 608109572 /nfs/dbraw/zinc/10/95/72/608109572.db2.gz FTESXBTYQQLOOO-LIOBOASVSA-N -1 3 334.404 3.628 20 30 EHEDHM O=C(C=Cc1cc2ccccc2o1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826399896 609270769 /nfs/dbraw/zinc/27/07/69/609270769.db2.gz JHEYXHFPPSSQDA-SOFGYWHQSA-N -1 3 334.310 3.648 20 30 EHEDHM O=C(C=Cc1cc2ccccc2o1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826399896 609270771 /nfs/dbraw/zinc/27/07/71/609270771.db2.gz JHEYXHFPPSSQDA-SOFGYWHQSA-N -1 3 334.310 3.648 20 30 EHEDHM CCC(=NNc1cccc(-c2nnn[n-]2)c1)c1c(F)cccc1Cl ZINC000820831850 945566374 /nfs/dbraw/zinc/56/63/74/945566374.db2.gz DGDMMAQTVDCXKE-UHFFFAOYSA-N -1 3 344.781 3.885 20 30 EHEDHM CCC(=NNc1cccc(-c2nn[n-]n2)c1)c1c(F)cccc1Cl ZINC000820831850 945566382 /nfs/dbraw/zinc/56/63/82/945566382.db2.gz DGDMMAQTVDCXKE-UHFFFAOYSA-N -1 3 344.781 3.885 20 30 EHEDHM C=CCCC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823888325 946501638 /nfs/dbraw/zinc/50/16/38/946501638.db2.gz IWWQSSDKSIMJPS-CQSZACIVSA-N -1 3 347.422 3.677 20 30 EHEDHM C=CCCC(=O)N[C@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823888325 946501642 /nfs/dbraw/zinc/50/16/42/946501642.db2.gz IWWQSSDKSIMJPS-CQSZACIVSA-N -1 3 347.422 3.677 20 30 EHEDHM C=C(C)CCC(=O)Oc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001573293967 946973549 /nfs/dbraw/zinc/97/35/49/946973549.db2.gz PPCPLUJIAWITGG-UHFFFAOYSA-N -1 3 334.379 3.795 20 30 EHEDHM C=C(C)CCC(=O)Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001573293967 946973559 /nfs/dbraw/zinc/97/35/59/946973559.db2.gz PPCPLUJIAWITGG-UHFFFAOYSA-N -1 3 334.379 3.795 20 30 EHEDHM C=CCCCN(CC)C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001573334317 947454199 /nfs/dbraw/zinc/45/41/99/947454199.db2.gz CGMHYFMREFOYRT-UHFFFAOYSA-N -1 3 340.431 3.564 20 30 EHEDHM C=CCCCN(CC)C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001573334317 947454207 /nfs/dbraw/zinc/45/42/07/947454207.db2.gz CGMHYFMREFOYRT-UHFFFAOYSA-N -1 3 340.431 3.564 20 30 EHEDHM C#CCN(Cc1ccc(C2(C(=O)[O-])CC2)cc1)[C@@H]1CCc2ccccc21 ZINC001573311876 962715661 /nfs/dbraw/zinc/71/56/61/962715661.db2.gz ZSHBUJYVLPXXTJ-OAQYLSRUSA-N -1 3 345.442 3.926 20 30 EHEDHM C[C@@H](C#N)CSc1ccccc1NC([O-])=NO[C@H]1CCCCO1 ZINC000274750199 1014814614 /nfs/dbraw/zinc/81/46/14/1014814614.db2.gz AMDNABMAYNNRJW-WFASDCNBSA-N -1 3 335.429 3.518 20 30 EHEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000274750199 1014814630 /nfs/dbraw/zinc/81/46/30/1014814630.db2.gz AMDNABMAYNNRJW-WFASDCNBSA-N -1 3 335.429 3.518 20 30 EHEDHM Cc1c2cc(C#N)ccc2sc1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000339859108 1015769245 /nfs/dbraw/zinc/76/92/45/1015769245.db2.gz GFLGJFDLFLAGCI-UHFFFAOYSA-N -1 3 349.375 3.712 20 30 EHEDHM [O-]c1c(O)ccc(C=Nc2ccc(-n3cnc4ccccc43)cc2)c1O ZINC000255032431 1015854714 /nfs/dbraw/zinc/85/47/14/1015854714.db2.gz HWRYHNAVFRYCPI-UHFFFAOYSA-N -1 3 345.358 3.893 20 30 EHEDHM N#CC(=C([O-])c1cn2ccccc2n1)c1nc2cc(F)ccc2s1 ZINC000592973390 1032619726 /nfs/dbraw/zinc/61/97/26/1032619726.db2.gz FHUHKVLJIWTWIC-NSHDSACASA-N -1 3 336.351 3.573 20 30 EHEDHM CCc1cccc(C(=O)N2CCC(Nc3ccccc3C#N)CC2)c1[O-] ZINC000602194930 1032689012 /nfs/dbraw/zinc/68/90/12/1032689012.db2.gz ZTXFXLRAGWGXKI-UHFFFAOYSA-N -1 3 349.434 3.543 20 30 EHEDHM CC(C)Oc1ccc(C([O-])=C(C#N)c2ccc3ccccc3n2)nc1 ZINC000683689147 1018019343 /nfs/dbraw/zinc/01/93/43/1018019343.db2.gz NOPIKWYADOMXEO-INIZCTEOSA-N -1 3 331.375 3.907 20 30 EHEDHM COc1cc(C(=O)/C=C\c2cc(F)c(F)cc2F)c(OC)cc1[O-] ZINC000255137952 1018042920 /nfs/dbraw/zinc/04/29/20/1018042920.db2.gz QHQYWEJYJRRAKK-ARJAWSKDSA-N -1 3 338.281 3.723 20 30 EHEDHM COc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c(C)c1 ZINC000593205657 1032812071 /nfs/dbraw/zinc/81/20/71/1032812071.db2.gz FNQKFPLSDOMODE-UHFFFAOYSA-N -1 3 344.436 3.606 20 30 EHEDHM [O-]c1c(O)ccc(C=Nc2ccc(Cl)c(OC(F)F)c2)c1O ZINC000588409960 1020847649 /nfs/dbraw/zinc/84/76/49/1020847649.db2.gz PSXJKQPKGINAMN-UHFFFAOYSA-N -1 3 329.686 3.809 20 30 EHEDHM COc1cc(/C=C/c2ccncc2C#N)c(Br)cc1[O-] ZINC000436818342 1021246668 /nfs/dbraw/zinc/24/66/68/1021246668.db2.gz USHCOSAZXMZGST-NSCUHMNNSA-N -1 3 331.169 3.600 20 30 EHEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000135368444 1022624593 /nfs/dbraw/zinc/62/45/93/1022624593.db2.gz QLWAPXDWLCTTBU-UHFFFAOYSA-N -1 3 344.289 3.517 20 30 EHEDHM C=CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1 ZINC000426726184 1022990733 /nfs/dbraw/zinc/99/07/33/1022990733.db2.gz HUOLRVVZRBGEMD-QGZVFWFLSA-N -1 3 349.789 3.959 20 30 EHEDHM CC(N=Nc1ncnc2sc3c(c21)CCC3)c1ccc([O-])c(F)c1 ZINC000728428106 1024222836 /nfs/dbraw/zinc/22/28/36/1024222836.db2.gz OPLZJQWYSJULQR-UHFFFAOYSA-N -1 3 342.399 3.861 20 30 EHEDHM [O-]c1ccc(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1F ZINC000892074708 1024569009 /nfs/dbraw/zinc/56/90/09/1024569009.db2.gz FGYHSKQPOKYISG-UHFFFAOYSA-N -1 3 331.231 3.848 20 30 EHEDHM Cc1oc(C#N)cc1C(=O)[N-]c1nnc(CC2CCCCC2)s1 ZINC000435685306 1025067832 /nfs/dbraw/zinc/06/78/32/1025067832.db2.gz WLBPYCJAYHNENB-UHFFFAOYSA-N -1 3 330.413 3.686 20 30 EHEDHM CN(Cc1cccc(C#N)c1)Cc1cccc([O-])c1Br ZINC001140552520 1025318842 /nfs/dbraw/zinc/31/88/42/1025318842.db2.gz IJBJSOUCPHUZQV-UHFFFAOYSA-N -1 3 331.213 3.658 20 30 EHEDHM Cn1c(C(C#N)=C([O-])c2nccc3ccccc32)nc2ccccc21 ZINC000113650817 1025939121 /nfs/dbraw/zinc/93/91/21/1025939121.db2.gz YPCOXXNEPVDBAJ-OAHLLOKOSA-N -1 3 326.359 3.612 20 30 EHEDHM Cc1c(C#N)cccc1C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000338884680 1026231339 /nfs/dbraw/zinc/23/13/39/1026231339.db2.gz ZABGEZSSIPDSBE-UHFFFAOYSA-N -1 3 343.346 3.650 20 30 EHEDHM Cc1c(C#N)cccc1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000338884680 1026231351 /nfs/dbraw/zinc/23/13/51/1026231351.db2.gz ZABGEZSSIPDSBE-UHFFFAOYSA-N -1 3 343.346 3.650 20 30 EHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccn(C4CCCC4)n3)nc21 ZINC000531653847 1027157627 /nfs/dbraw/zinc/15/76/27/1027157627.db2.gz PSQDQXRQWWKBLP-AWEZNQCLSA-N -1 3 333.395 3.673 20 30 EHEDHM CCCc1c(C([O-])=C(C#N)c2nc(C)cs2)[nH]c(C)c1C(C)=O ZINC000048789404 1027716791 /nfs/dbraw/zinc/71/67/91/1027716791.db2.gz RMSKSXBKJBGADR-ZDUSSCGKSA-N -1 3 329.425 3.733 20 30 EHEDHM N#CC(=C([O-])C=Cc1ccccc1Cl)c1nnc2n1CCCCC2 ZINC000255569892 1030057792 /nfs/dbraw/zinc/05/77/92/1030057792.db2.gz ZWNWNRSMDHTYCF-CFYYFVFUSA-N -1 3 340.814 3.548 20 30 EHEDHM CCOc1cc(CN2Cc3ccc(C#N)cc3C2)cc(Cl)c1[O-] ZINC000594610834 1033475597 /nfs/dbraw/zinc/47/55/97/1033475597.db2.gz FSBUQTAGTWIYHG-UHFFFAOYSA-N -1 3 328.799 3.832 20 30 EHEDHM [O-]c1c(O)ccc(C=Nc2ccc(OC(F)F)c(Cl)c2)c1O ZINC000255641642 1033931926 /nfs/dbraw/zinc/93/19/26/1033931926.db2.gz OHRNXRZZDQSNRK-UHFFFAOYSA-N -1 3 329.686 3.809 20 30 EHEDHM CCOc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1OC ZINC000647372182 1034061004 /nfs/dbraw/zinc/06/10/04/1034061004.db2.gz GUYAQIXMUCKXOF-ZDUSSCGKSA-N -1 3 342.420 3.918 20 30 EHEDHM CCCC(=O)Nc1cccc(N=Cc2ccc(O)c([O-])c2O)c1C ZINC000255733253 1034294452 /nfs/dbraw/zinc/29/44/52/1034294452.db2.gz OAYNLFGWRZHLMQ-UHFFFAOYSA-N -1 3 328.368 3.601 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C(C)C)C1CC(C)(C)C1 ZINC000457069554 1035684010 /nfs/dbraw/zinc/68/40/10/1035684010.db2.gz HLGJQFNTAKSGJB-UHFFFAOYSA-N -1 3 343.471 3.634 20 30 EHEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)c(C)o1 ZINC000130128988 1038089525 /nfs/dbraw/zinc/08/95/25/1038089525.db2.gz UTMLRJHGGCOHJH-GFCCVEGCSA-N -1 3 334.734 3.650 20 30 EHEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(Cl)sc1Cl ZINC000029388970 1040568456 /nfs/dbraw/zinc/56/84/56/1040568456.db2.gz NNHLMJAKJOYQPB-UHFFFAOYSA-N -1 3 331.106 3.828 20 30 EHEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(Cl)sc1Cl ZINC000029388970 1040568467 /nfs/dbraw/zinc/56/84/67/1040568467.db2.gz NNHLMJAKJOYQPB-UHFFFAOYSA-N -1 3 331.106 3.828 20 30 EHEDHM CCSc1ccc([C@H](C)/N=C\c2c([O-])c(C)ncc2CO)cc1 ZINC000728785225 1040610447 /nfs/dbraw/zinc/61/04/47/1040610447.db2.gz ABBVSITZDLAXQH-XGTDKWECSA-N -1 3 330.453 3.880 20 30 EHEDHM CCSc1ccc([C@H](C)/N=C/c2c([O-])c(C)ncc2CO)cc1 ZINC000728785223 1040611528 /nfs/dbraw/zinc/61/15/28/1040611528.db2.gz ABBVSITZDLAXQH-QDBSGRMGSA-N -1 3 330.453 3.880 20 30 EHEDHM COCCN(Cc1ccc(C#N)cc1)Cc1c([O-])cccc1Cl ZINC000124411639 1041704844 /nfs/dbraw/zinc/70/48/44/1041704844.db2.gz KPIPDYLTIXRDSX-UHFFFAOYSA-N -1 3 330.815 3.566 20 30 EHEDHM COc1cc(C=NNCc2cnc3ccccc3c2)cc(Cl)c1[O-] ZINC000764776297 1127532634 /nfs/dbraw/zinc/53/26/34/1127532634.db2.gz VLWDNKRLVHYZCH-UHFFFAOYSA-N -1 3 341.798 3.726 20 30 EHEDHM C=CC(C)(C)CC[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC001670577780 1120087758 /nfs/dbraw/zinc/08/77/58/1120087758.db2.gz IFZXELXTYBXRPI-UHFFFAOYSA-N -1 3 336.482 3.691 20 30 EHEDHM CC(C)Oc1nc(C(F)(F)F)ccc1C([O-])=C(C#N)c1ccccn1 ZINC000495183267 1120981207 /nfs/dbraw/zinc/98/12/07/1120981207.db2.gz XBBVNKFCTRLFDG-GFCCVEGCSA-N -1 3 349.312 3.773 20 30 EHEDHM [O-]c1ccc(CN=Nc2nncc3ccccc32)cc1Br ZINC000915909769 1121989257 /nfs/dbraw/zinc/98/92/57/1121989257.db2.gz QSSGAVUZYRYQQF-UHFFFAOYSA-N -1 3 343.184 3.544 20 30 EHEDHM CC(=NNc1ccc(C#N)cc1)c1cc(Br)ccc1[O-] ZINC000915963301 1122009651 /nfs/dbraw/zinc/00/96/51/1122009651.db2.gz YMCYLEVRXPRKLB-UHFFFAOYSA-N -1 3 330.185 3.862 20 30 EHEDHM CCOc1cc(CN=Nc2ccccc2[N+](=O)[O-])cc(Cl)c1[O-] ZINC000916249440 1122109559 /nfs/dbraw/zinc/10/95/59/1122109559.db2.gz NFUZJROQGGBTTD-UHFFFAOYSA-N -1 3 335.747 3.799 20 30 EHEDHM N#Cc1cnc(NCc2ccc([O-])c(Br)c2)c(Cl)c1 ZINC000155646679 1129655543 /nfs/dbraw/zinc/65/55/43/1129655543.db2.gz MBGMYTYOKNKLGV-UHFFFAOYSA-N -1 3 338.592 3.687 20 30 EHEDHM CC(=NNCc1ccc(Br)cc1)c1ccc([O-])cc1F ZINC000729933082 1130656332 /nfs/dbraw/zinc/65/63/32/1130656332.db2.gz RPVXHWJJWYUNSP-UHFFFAOYSA-N -1 3 337.192 3.808 20 30 EHEDHM O=C1[C@H](/N=C\c2cc(Cl)ccc2[O-])CCCN1c1ccccc1 ZINC000733903676 1131165057 /nfs/dbraw/zinc/16/50/57/1131165057.db2.gz ORIJQHMNCRPRGH-SDLDRHLBSA-N -1 3 328.799 3.660 20 30 EHEDHM Cc1ccc(N2CCC[C@H](/N=C/c3cc(Cl)ccc3[O-])C2=O)cc1 ZINC000741845168 1131656106 /nfs/dbraw/zinc/65/61/06/1131656106.db2.gz RUQXQNPOAXCSDV-RHLNUJDMSA-N -1 3 342.826 3.969 20 30 EHEDHM CC(=O)Nc1cccc(OCC/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000103716679 1131932941 /nfs/dbraw/zinc/93/29/41/1131932941.db2.gz ZNSVYHJMCSDFAC-YBFXNURJSA-N -1 3 332.787 3.502 20 30 EHEDHM N#Cc1cc(-c2ccccc2)oc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175428206 1132665648 /nfs/dbraw/zinc/66/56/48/1132665648.db2.gz INFGOSNZADTRDY-UHFFFAOYSA-N -1 3 328.335 3.742 20 30 EHEDHM CN(CCc1cccc(C#N)c1)C(=O)c1cc2sccc2c([O-])c1 ZINC001169895248 1132888739 /nfs/dbraw/zinc/88/87/39/1132888739.db2.gz RSHXRNKUHBKQTG-UHFFFAOYSA-N -1 3 336.416 3.793 20 30 EHEDHM CCc1ccc([C@@H](C#N)[N-]C(=O)C(F)(F)c2cccc(OC)c2)cc1 ZINC001129372272 1133024189 /nfs/dbraw/zinc/02/41/89/1133024189.db2.gz GWJDPFBIVRTBEG-QGZVFWFLSA-N -1 3 344.361 3.730 20 30 EHEDHM C#CCCCCC(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000773631347 1133045578 /nfs/dbraw/zinc/04/55/78/1133045578.db2.gz WNFSMDRYAXYVNS-NSHDSACASA-N -1 3 332.425 3.812 20 30 EHEDHM CO[C@](C)(C(=O)Nc1ccc([O-])c(C#N)c1)c1cccc2ccccc21 ZINC001178680520 1133190540 /nfs/dbraw/zinc/19/05/40/1133190540.db2.gz VQFVZKSHNMFBSH-NRFANRHFSA-N -1 3 346.386 3.917 20 30 EHEDHM Cc1ccc(CNCc2cccc([O-])c2Br)cc1C#N ZINC001179562869 1133258803 /nfs/dbraw/zinc/25/88/03/1133258803.db2.gz WDPQVALETUMXFZ-UHFFFAOYSA-N -1 3 331.213 3.625 20 30 EHEDHM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1ccc([O-])c(C#N)c1 ZINC001182148291 1133578898 /nfs/dbraw/zinc/57/88/98/1133578898.db2.gz UFMZQCTUHJBDAJ-RPVQJOFSSA-N -1 3 330.428 3.680 20 30 EHEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)N([O-])CCCCc1ccccc1 ZINC001184293011 1133925431 /nfs/dbraw/zinc/92/54/31/1133925431.db2.gz AXWNVTJMVOGBBG-MRXNPFEDSA-N -1 3 338.407 3.566 20 30 EHEDHM COc1cc(/C=C2\CCc3cc(C#N)cnc3C2=O)cc(Cl)c1[O-] ZINC000788356286 1134115617 /nfs/dbraw/zinc/11/56/17/1134115617.db2.gz LTFLXHAYMHPAST-YIXHJXPBSA-N -1 3 340.766 3.533 20 30 EHEDHM CCN(C)c1ccc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)cn1 ZINC000790215284 1134382634 /nfs/dbraw/zinc/38/26/34/1134382634.db2.gz OMWVWJFQQFYVMA-VSXLWIIGSA-N -1 3 326.371 3.766 20 30 EHEDHM CC(C)n1cc(C(=O)Nc2ccc([O-])c(C#N)c2)c(C(F)(F)F)c1 ZINC001187782294 1134387321 /nfs/dbraw/zinc/38/73/21/1134387321.db2.gz GBOCIBXGRIZFQO-UHFFFAOYSA-N -1 3 337.301 3.917 20 30 EHEDHM CC(=O)c1cccc(C#N)c1OCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001189977317 1134638913 /nfs/dbraw/zinc/63/89/13/1134638913.db2.gz KWXYVAMMLXONCL-UHFFFAOYSA-N -1 3 345.358 3.502 20 30 EHEDHM Cc1coc([N-]C(=O)c2ccc(Cl)nc2C(F)(F)F)c1C#N ZINC001192472697 1135017792 /nfs/dbraw/zinc/01/77/92/1135017792.db2.gz BRUYDLUTJOHVOP-UHFFFAOYSA-N -1 3 329.665 3.779 20 30 EHEDHM Cc1ncc(CO)c(/C=N\C[C@H](C)Oc2ccc(C(C)C)cc2)c1[O-] ZINC000804597678 1135141325 /nfs/dbraw/zinc/14/13/25/1135141325.db2.gz CULQMUDJATWGMC-LRXPYSHVSA-N -1 3 342.439 3.598 20 30 EHEDHM Cc1cccc(C)c1S(=O)(=O)[N-]c1cccc(C(C)(C)C#N)c1 ZINC001194639350 1135295551 /nfs/dbraw/zinc/29/55/51/1135295551.db2.gz PXBDQUCXUQNCNH-UHFFFAOYSA-N -1 3 328.437 3.905 20 30 EHEDHM [O-]C(=NO[C@H]1CCCCO1)Nc1ccccc1C#Cc1ccccc1 ZINC000775655680 1135427875 /nfs/dbraw/zinc/42/78/75/1135427875.db2.gz SGHOXCOQDMOUKT-IBGZPJMESA-N -1 3 336.391 3.666 20 30 EHEDHM O=C([N-]O[C@H]1CCCCO1)Nc1ccccc1C#Cc1ccccc1 ZINC000775655680 1135427878 /nfs/dbraw/zinc/42/78/78/1135427878.db2.gz SGHOXCOQDMOUKT-IBGZPJMESA-N -1 3 336.391 3.666 20 30 EHEDHM COc1cccc(-c2cc([O-])cc(C(=O)Nc3cc(C#N)ccn3)c2)c1 ZINC001196351497 1135550354 /nfs/dbraw/zinc/55/03/54/1135550354.db2.gz HRNWHOHKMWWVQR-UHFFFAOYSA-N -1 3 345.358 3.587 20 30 EHEDHM N#Cc1cc(NC(=S)Nc2cccc(Br)c2)ccc1[O-] ZINC001197005613 1135639365 /nfs/dbraw/zinc/63/93/65/1135639365.db2.gz OFAQJVUZONWWCJ-UHFFFAOYSA-N -1 3 348.225 3.835 20 30 EHEDHM CCOC(=O)c1nc(Cl)sc1[N-]c1ccc(C#N)cc1F ZINC001201566482 1136041780 /nfs/dbraw/zinc/04/17/80/1136041780.db2.gz HFPROOBTSNIYBJ-UHFFFAOYSA-N -1 3 325.752 3.728 20 30 EHEDHM N#Cc1cc([O-])cc(C(=O)OCc2cc(Cl)nc3ccccc23)c1 ZINC000811184210 1136056228 /nfs/dbraw/zinc/05/62/28/1136056228.db2.gz IYDNNYNIJJGKMC-UHFFFAOYSA-N -1 3 338.750 3.822 20 30 EHEDHM N#CC(=C([O-])c1ccc(Cl)nc1)c1cc(C(F)(F)F)ccn1 ZINC000813212348 1136302921 /nfs/dbraw/zinc/30/29/21/1136302921.db2.gz ABNOVYYXZNPRJN-SNVBAGLBSA-N -1 3 325.677 3.639 20 30 EHEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cc(C(F)(F)F)nn1C ZINC000853002103 1136496870 /nfs/dbraw/zinc/49/68/70/1136496870.db2.gz HDXKFTHPPVCXRK-VYVBZAQUSA-N -1 3 340.276 3.667 20 30 EHEDHM CC(C)(C)O[C@H]1C[C@H](/N=C\c2cc(Br)ccc2[O-])C1 ZINC000852998360 1136496930 /nfs/dbraw/zinc/49/69/30/1136496930.db2.gz LMAFLGWNIWWYAC-ONNOSLIASA-N -1 3 326.234 3.920 20 30 EHEDHM C=CCC(F)(F)C(=O)[N-]Cc1ccc(Br)cc1Cl ZINC000815122095 1136552905 /nfs/dbraw/zinc/55/29/05/1136552905.db2.gz RGRPSYDIWNRLRJ-UHFFFAOYSA-N -1 3 338.579 3.930 20 30 EHEDHM C=C[C@@H](C)O[N-]C(=O)Nc1nc(C)c(Cc2ccc(F)cc2)s1 ZINC000844664983 1137245268 /nfs/dbraw/zinc/24/52/68/1137245268.db2.gz ZDDUYNXYZCHNQD-SNVBAGLBSA-N -1 3 335.404 3.809 20 30 EHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])[C@@H]1CCCC(F)(F)C1 ZINC000845844959 1137312419 /nfs/dbraw/zinc/31/24/19/1137312419.db2.gz LBQWMXNRSVPSIA-UKRRQHHQSA-N -1 3 331.362 3.822 20 30 EHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000845841376 1137315183 /nfs/dbraw/zinc/31/51/83/1137315183.db2.gz PZGKSWQUKVENFR-CEXWTWQISA-N -1 3 347.389 3.939 20 30 EHEDHM CCOc1ccc(C(=O)/C=C/c2c(F)ccc([O-])c2F)cc1[N+](=O)[O-] ZINC000794947271 1137375800 /nfs/dbraw/zinc/37/58/00/1137375800.db2.gz VBCWOSLPIKMIPJ-GQCTYLIASA-N -1 3 349.289 3.873 20 30 EHEDHM Cc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c(C)c1 ZINC000822233902 599116686 /nfs/dbraw/zinc/11/66/86/599116686.db2.gz XMWCNLDOYSABNE-YBEGLDIGSA-N -1 3 330.391 3.696 20 30 EHEDHM Cc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c(C)c1 ZINC000822233902 599116689 /nfs/dbraw/zinc/11/66/89/599116689.db2.gz XMWCNLDOYSABNE-YBEGLDIGSA-N -1 3 330.391 3.696 20 30 EHEDHM Cc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1F ZINC000822233009 599117033 /nfs/dbraw/zinc/11/70/33/599117033.db2.gz GFBFVMXVWUYVOU-RIYZIHGNSA-N -1 3 334.354 3.527 20 30 EHEDHM Cc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1F ZINC000822233009 599117035 /nfs/dbraw/zinc/11/70/35/599117035.db2.gz GFBFVMXVWUYVOU-RIYZIHGNSA-N -1 3 334.354 3.527 20 30 EHEDHM O=C(C=Cc1cc2cc(F)ccc2o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737795083 599152047 /nfs/dbraw/zinc/15/20/47/599152047.db2.gz IIWLEUDACKWQBI-VOTSOKGWSA-N -1 3 334.310 3.648 20 30 EHEDHM O=C(C=Cc1cc2cc(F)ccc2o1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737795083 599152048 /nfs/dbraw/zinc/15/20/48/599152048.db2.gz IIWLEUDACKWQBI-VOTSOKGWSA-N -1 3 334.310 3.648 20 30 EHEDHM N#Cc1cc(CSc2ccc(-c3nn[n-]n3)cc2Cl)ccc1F ZINC000826383724 607844889 /nfs/dbraw/zinc/84/48/89/607844889.db2.gz NJDYZOGRTVYINN-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM CCC(CC)CN=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736330399 598313968 /nfs/dbraw/zinc/31/39/68/598313968.db2.gz XKKHYQKOYICTLY-UHFFFAOYSA-N -1 3 326.326 3.719 20 30 EHEDHM CCC(CC)CN=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736330399 598313970 /nfs/dbraw/zinc/31/39/70/598313970.db2.gz XKKHYQKOYICTLY-UHFFFAOYSA-N -1 3 326.326 3.719 20 30 EHEDHM CCc1oc2ccccc2c1C=NOCc1ccccc1-c1nnn[n-]1 ZINC000736714480 598473126 /nfs/dbraw/zinc/47/31/26/598473126.db2.gz ZLSRUUURZLZRMQ-UHFFFAOYSA-N -1 3 347.378 3.726 20 30 EHEDHM CCc1oc2ccccc2c1C=NOCc1ccccc1-c1nn[n-]n1 ZINC000736714480 598473129 /nfs/dbraw/zinc/47/31/29/598473129.db2.gz ZLSRUUURZLZRMQ-UHFFFAOYSA-N -1 3 347.378 3.726 20 30 EHEDHM N#Cc1ccc(SCc2cc(F)ccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826386163 607845948 /nfs/dbraw/zinc/84/59/48/607845948.db2.gz RQWQPTKQWUCXEY-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM N#Cc1ccc(SCc2cc(F)ccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826386163 607845949 /nfs/dbraw/zinc/84/59/49/607845949.db2.gz RQWQPTKQWUCXEY-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1N[C@@H](C)c1ccc(C#N)cc1 ZINC000735906810 599323496 /nfs/dbraw/zinc/32/34/96/599323496.db2.gz XFEJLHMEBRQIIW-ZDUSSCGKSA-N -1 3 348.410 3.699 20 30 EHEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1N[C@@H](C)c1ccc(C#N)cc1 ZINC000735906810 599323498 /nfs/dbraw/zinc/32/34/98/599323498.db2.gz XFEJLHMEBRQIIW-ZDUSSCGKSA-N -1 3 348.410 3.699 20 30 EHEDHM CC(C)(C)Oc1ccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736286201 600595016 /nfs/dbraw/zinc/59/50/16/600595016.db2.gz QQALQRVXVSUKOI-SFHVURJKSA-N -1 3 338.407 3.651 20 30 EHEDHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cc1cccc(C(=O)[O-])c1C#N ZINC000833597003 604609370 /nfs/dbraw/zinc/60/93/70/604609370.db2.gz HZWFPFIHDKSQFK-BBRMVZONSA-N -1 3 338.382 3.774 20 30 EHEDHM C=C(C)COc1cc(CN2CCC(CCC(=O)[O-])CC2)ccc1OC ZINC000833369357 604641449 /nfs/dbraw/zinc/64/14/49/604641449.db2.gz SKSYRWFEWYHVFB-UHFFFAOYSA-N -1 3 347.455 3.727 20 30 EHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(F)c(Cl)c1 ZINC000822923840 606391851 /nfs/dbraw/zinc/39/18/51/606391851.db2.gz VWDIZPGSVIDYIY-GORDUTHDSA-N -1 3 334.763 3.617 20 30 EHEDHM N#Cc1cc(CSc2ccc(-c3nnn[n-]3)cc2Cl)ccc1F ZINC000826383724 607844888 /nfs/dbraw/zinc/84/48/88/607844888.db2.gz NJDYZOGRTVYINN-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)[C@@H](C)c1ccccc1 ZINC000823953771 608540003 /nfs/dbraw/zinc/54/00/03/608540003.db2.gz PQGPEPVRXXDRPD-SNVBAGLBSA-N -1 3 341.806 3.507 20 30 EHEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)[C@@H](C)c1ccccc1 ZINC000823953771 608540005 /nfs/dbraw/zinc/54/00/05/608540005.db2.gz PQGPEPVRXXDRPD-SNVBAGLBSA-N -1 3 341.806 3.507 20 30 EHEDHM O=C(C=Cc1cscc1Cl)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826403445 609133083 /nfs/dbraw/zinc/13/30/83/609133083.db2.gz SFUUMMVOJMFZKY-DUXPYHPUSA-N -1 3 334.763 3.617 20 30 EHEDHM O=C(C=Cc1cscc1Cl)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826403445 609133085 /nfs/dbraw/zinc/13/30/85/609133085.db2.gz SFUUMMVOJMFZKY-DUXPYHPUSA-N -1 3 334.763 3.617 20 30 EHEDHM O=C(C=Cc1cscc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000826403540 609274669 /nfs/dbraw/zinc/27/46/69/609274669.db2.gz VCMUPCFMMNQQKY-DUXPYHPUSA-N -1 3 334.763 3.617 20 30 EHEDHM O=C(C=Cc1cscc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000826403540 609274671 /nfs/dbraw/zinc/27/46/71/609274671.db2.gz VCMUPCFMMNQQKY-DUXPYHPUSA-N -1 3 334.763 3.617 20 30 EHEDHM O=C(C=Cc1cscc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000826403541 609274917 /nfs/dbraw/zinc/27/49/17/609274917.db2.gz VCMUPCFMMNQQKY-RQOWECAXSA-N -1 3 334.763 3.617 20 30 EHEDHM O=C(C=Cc1cscc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000826403541 609274919 /nfs/dbraw/zinc/27/49/19/609274919.db2.gz VCMUPCFMMNQQKY-RQOWECAXSA-N -1 3 334.763 3.617 20 30 EHEDHM Clc1ccc(C2CC(N=Nc3ccc(-c4nnn[n-]4)cc3)C2)cc1 ZINC000826351285 609468137 /nfs/dbraw/zinc/46/81/37/609468137.db2.gz GUUDJJVPXDOENX-UHFFFAOYSA-N -1 3 338.802 3.866 20 30 EHEDHM Clc1ccc(C2CC(N=Nc3ccc(-c4nn[n-]n4)cc3)C2)cc1 ZINC000826351285 609468139 /nfs/dbraw/zinc/46/81/39/609468139.db2.gz GUUDJJVPXDOENX-UHFFFAOYSA-N -1 3 338.802 3.866 20 30 EHEDHM C=CCC[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000488712794 944633700 /nfs/dbraw/zinc/63/37/00/944633700.db2.gz AYCWSMZUFUAFSA-QGZVFWFLSA-N -1 3 333.395 3.555 20 30 EHEDHM C=CCC[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000488712794 944633708 /nfs/dbraw/zinc/63/37/08/944633708.db2.gz AYCWSMZUFUAFSA-QGZVFWFLSA-N -1 3 333.395 3.555 20 30 EHEDHM CCSc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000825673778 947286104 /nfs/dbraw/zinc/28/61/04/947286104.db2.gz BTPYYANIXISHJV-BQYQJAHWSA-N -1 3 342.449 3.936 20 30 EHEDHM CCSc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000825673778 947286112 /nfs/dbraw/zinc/28/61/12/947286112.db2.gz BTPYYANIXISHJV-BQYQJAHWSA-N -1 3 342.449 3.936 20 30 EHEDHM Cc1cc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc2cccnc12 ZINC000826266227 947768356 /nfs/dbraw/zinc/76/83/56/947768356.db2.gz HOOKKMNOQYSSAQ-FPLPWBNLSA-N -1 3 341.374 3.619 20 30 EHEDHM Cc1cc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc2cccnc12 ZINC000826266227 947768364 /nfs/dbraw/zinc/76/83/64/947768364.db2.gz HOOKKMNOQYSSAQ-FPLPWBNLSA-N -1 3 341.374 3.619 20 30 EHEDHM C[C@@H](C(=O)[O-])[C@H](NCc1cc(Cl)cc(C#N)c1)c1ccccc1 ZINC001589469617 986945214 /nfs/dbraw/zinc/94/52/14/986945214.db2.gz WBTDNEDEDQGHMD-PXAZEXFGSA-N -1 3 328.799 3.763 20 30 EHEDHM [O-]c1ccc(Cl)cc1/C=N/C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000134454005 1015539132 /nfs/dbraw/zinc/53/91/32/1015539132.db2.gz PXWIHPCIJVUHIJ-RWXDYVFQSA-N -1 3 328.170 3.991 20 30 EHEDHM COc1cc(/C=C\C(=O)c2ccc([O-])c(C)c2)cc(OC)c1OC ZINC000728232467 1016323140 /nfs/dbraw/zinc/32/31/40/1016323140.db2.gz UCJIPWDXTJZUPS-ALCCZGGFSA-N -1 3 328.364 3.623 20 30 EHEDHM C/C=C\c1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000345668238 1020418818 /nfs/dbraw/zinc/41/88/18/1020418818.db2.gz DNZLEEDXTTVGDF-PLNGDYQASA-N -1 3 335.407 3.880 20 30 EHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc(F)cc(Cl)c3)nc1-2 ZINC000340855504 1020476539 /nfs/dbraw/zinc/47/65/39/1020476539.db2.gz BYPANUSQMHIOMW-LBPRGKRZSA-N -1 3 328.734 3.549 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C(C)C)cc1 ZINC000015632995 1020683233 /nfs/dbraw/zinc/68/32/33/1020683233.db2.gz LEKOVVCOZYYJFV-UHFFFAOYSA-N -1 3 337.423 3.558 20 30 EHEDHM C=CCN(CCC#N)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436842935 1021287027 /nfs/dbraw/zinc/28/70/27/1021287027.db2.gz YIHLLOZEPZCGQZ-UHFFFAOYSA-N -1 3 334.419 3.719 20 30 EHEDHM C[C@@H](C(=O)[N-][C@@H](C#N)c1cccc(Cl)c1Cl)C(F)(F)F ZINC000080161159 1033012742 /nfs/dbraw/zinc/01/27/42/1033012742.db2.gz AFONNPISQSOOOD-RCOVLWMOSA-N -1 3 325.117 3.873 20 30 EHEDHM CCC1(CC)CCC(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)CC1 ZINC000331023029 1022722513 /nfs/dbraw/zinc/72/25/13/1022722513.db2.gz RAEDFRCBJSDCTJ-UHFFFAOYSA-N -1 3 347.385 3.576 20 30 EHEDHM CC(=O)c1ccc(C(=O)NC[C@@H]2CCCO[C@H]2C(C)(C)C)cc1[O-] ZINC000331356617 1022800047 /nfs/dbraw/zinc/80/00/47/1022800047.db2.gz SDIFNSHSEBVWKO-WMLDXEAASA-N -1 3 333.428 3.741 20 30 EHEDHM CC(C)(C#N)c1ccc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)cc1 ZINC000593947367 1033086209 /nfs/dbraw/zinc/08/62/09/1033086209.db2.gz ISUIQLRKDJNZSH-QGZVFWFLSA-N -1 3 326.371 3.542 20 30 EHEDHM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2cccc3cccnc32)c1 ZINC000176205256 1023866592 /nfs/dbraw/zinc/86/65/92/1023866592.db2.gz JNHNEMXFXRDCHC-UHFFFAOYSA-N -1 3 343.795 3.561 20 30 EHEDHM CC(=NNC(=S)Nc1cc(C)ccc1F)c1ccc([O-])c(F)c1 ZINC000728430056 1024283191 /nfs/dbraw/zinc/28/31/91/1024283191.db2.gz XTVMVSCGPLLSHP-UHFFFAOYSA-N -1 3 335.379 3.689 20 30 EHEDHM COCc1nocc1C(=O)[N-]c1sc2c(c1C#N)C[C@@H](C)C[C@H]2C ZINC000425604406 1026047626 /nfs/dbraw/zinc/04/76/26/1026047626.db2.gz KGNYJLLUMHPISP-VHSXEESVSA-N -1 3 345.424 3.692 20 30 EHEDHM [O-]c1ccc(Br)cc1C=Nc1ccc(OC2COC2)cc1 ZINC000588534413 1026763966 /nfs/dbraw/zinc/76/39/66/1026763966.db2.gz VHNJNDVSPOQQMC-UHFFFAOYSA-N -1 3 348.196 3.683 20 30 EHEDHM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531628647 1027108455 /nfs/dbraw/zinc/10/84/55/1027108455.db2.gz VAXGGQQGPQJNLG-LLVKDONJSA-N -1 3 342.380 3.636 20 30 EHEDHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@H]1COc2ccc(Cl)cc2C1 ZINC000073974188 1028590556 /nfs/dbraw/zinc/59/05/56/1028590556.db2.gz ZTCKMGLOFKXNHS-SNVBAGLBSA-N -1 3 344.758 3.557 20 30 EHEDHM Cn1c(C(C#N)=C([O-])c2ccc(C(C)(C)C)cn2)nc2ccccc21 ZINC000422126090 1029077020 /nfs/dbraw/zinc/07/70/20/1029077020.db2.gz WFJXTNRLQXIBBX-CQSZACIVSA-N -1 3 332.407 3.756 20 30 EHEDHM CCc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1CC ZINC000535989991 1029591381 /nfs/dbraw/zinc/59/13/81/1029591381.db2.gz LRPCXZNKDBLMPI-UHFFFAOYSA-N -1 3 328.437 3.678 20 30 EHEDHM Cc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c(Cl)c1 ZINC000160767854 1030990892 /nfs/dbraw/zinc/99/08/92/1030990892.db2.gz UXCONIVGNSREHM-UHFFFAOYSA-N -1 3 341.219 3.974 20 30 EHEDHM C[C@H](CC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)n1cccn1 ZINC000904179689 1031803460 /nfs/dbraw/zinc/80/34/60/1031803460.db2.gz AXKTYBPKTPKERV-SNVBAGLBSA-N -1 3 328.199 3.559 20 30 EHEDHM CCCCN([O-])C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1 ZINC000904210426 1031831795 /nfs/dbraw/zinc/83/17/95/1031831795.db2.gz 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CSc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821979016 606304001 /nfs/dbraw/zinc/30/40/01/606304001.db2.gz NYQALHJGFXFWOQ-VOTSOKGWSA-N -1 3 328.422 3.546 20 30 EHEDHM CSc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821979016 606303999 /nfs/dbraw/zinc/30/39/99/606303999.db2.gz NYQALHJGFXFWOQ-VOTSOKGWSA-N -1 3 328.422 3.546 20 30 EHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1C(F)(F)F ZINC000826402047 607883955 /nfs/dbraw/zinc/88/39/55/607883955.db2.gz LZDGRXFPOZFREJ-MDZDMXLPSA-N -1 3 344.296 3.782 20 30 EHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1C(F)(F)F ZINC000826402047 607883956 /nfs/dbraw/zinc/88/39/56/607883956.db2.gz LZDGRXFPOZFREJ-MDZDMXLPSA-N -1 3 344.296 3.782 20 30 EHEDHM O=C1c2cccc3c2[C@H](CCC3)C1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000826475904 608109725 /nfs/dbraw/zinc/10/97/25/608109725.db2.gz VQJPCFSDSSIOCG-QAEAHILHSA-N -1 3 328.375 3.567 20 30 EHEDHM O=C1c2cccc3c2[C@H](CCC3)C1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000826475904 608109726 /nfs/dbraw/zinc/10/97/26/608109726.db2.gz VQJPCFSDSSIOCG-QAEAHILHSA-N -1 3 328.375 3.567 20 30 EHEDHM Cc1cccc2c1[C@@H](C)C(=Cc1ccc(F)c(-c3nnn[n-]3)c1)C2=O ZINC000826305099 608883729 /nfs/dbraw/zinc/88/37/29/608883729.db2.gz KOOOHGKXNXKQLV-KSSSLANASA-N -1 3 334.354 3.698 20 30 EHEDHM Cc1cccc2c1[C@@H](C)C(=Cc1ccc(F)c(-c3nn[n-]n3)c1)C2=O ZINC000826305099 608883731 /nfs/dbraw/zinc/88/37/31/608883731.db2.gz KOOOHGKXNXKQLV-KSSSLANASA-N -1 3 334.354 3.698 20 30 EHEDHM C[C@@H](Nc1cccc(OCCCC#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662018 609175256 /nfs/dbraw/zinc/17/52/56/609175256.db2.gz AGRRVRJKZAVRQR-CQSZACIVSA-N -1 3 348.410 3.722 20 30 EHEDHM C[C@@H](Nc1cccc(OCCCC#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662018 609175257 /nfs/dbraw/zinc/17/52/57/609175257.db2.gz AGRRVRJKZAVRQR-CQSZACIVSA-N -1 3 348.410 3.722 20 30 EHEDHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc([O-])ccc1Cl ZINC000339768060 1015666119 /nfs/dbraw/zinc/66/61/19/1015666119.db2.gz VYZIDPHNQSQPRR-UHFFFAOYSA-N -1 3 328.799 3.968 20 30 EHEDHM N#Cc1ccc2c(c1)N(Cc1nc3c4ccccc4oc3c(=O)[n-]1)CC2 ZINC000339825248 1015707478 /nfs/dbraw/zinc/70/74/78/1015707478.db2.gz OPKSARXUCHLPOT-UHFFFAOYSA-N -1 3 342.358 3.516 20 30 EHEDHM C[C@](NCc1ccc(C#N)cc1C(F)(F)F)(C(=O)[O-])c1ccccc1 ZINC001593293091 994682928 /nfs/dbraw/zinc/68/29/28/994682928.db2.gz SNCGLGHFCUQFGQ-QGZVFWFLSA-N -1 3 348.324 3.667 20 30 EHEDHM COc1ccc(C(=O)[O-])cc1CN(Cc1ccc(C#N)cc1)C(C)C ZINC001599498482 997061759 /nfs/dbraw/zinc/06/17/59/997061759.db2.gz APDCEXGZXQDLMP-UHFFFAOYSA-N -1 3 338.407 3.676 20 30 EHEDHM COc1cc(C(=O)/C=C\c2c(C3CC3)nc3sccn23)ccc1[O-] ZINC000255056252 1016339263 /nfs/dbraw/zinc/33/92/63/1016339263.db2.gz GQIDPGJLTDFLLR-ALCCZGGFSA-N -1 3 340.404 3.884 20 30 EHEDHM COc1cc(/C=C2\COc3c(F)cccc3C2=O)cc(Cl)c1[O-] ZINC000120867190 1016604098 /nfs/dbraw/zinc/60/40/98/1016604098.db2.gz MKQGWCQWEGJJOT-BJMVGYQFSA-N -1 3 334.730 3.852 20 30 EHEDHM COc1ccc(C=NNc2ccc(F)cc2)c(Br)c1[O-] ZINC000760997808 1032581813 /nfs/dbraw/zinc/58/18/13/1032581813.db2.gz UQZRLHPFLVYEEQ-UHFFFAOYSA-N -1 3 339.164 3.748 20 30 EHEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])C=CSCc1ccco1 ZINC000255117593 1017696311 /nfs/dbraw/zinc/69/63/11/1017696311.db2.gz JCSXPFXZBZYEGW-GDAGCXPBSA-N -1 3 337.404 3.790 20 30 EHEDHM CC(=O)c1ncc(C(=O)[N-]c2sc(C(C)(C)C)cc2C#N)s1 ZINC000415740384 1018468395 /nfs/dbraw/zinc/46/83/95/1018468395.db2.gz ISDRKVIDTHPORV-UHFFFAOYSA-N -1 3 333.438 3.829 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(c1ccccc1)[C@@H]1C[C@@H]1C ZINC000415885749 1018624838 /nfs/dbraw/zinc/62/48/38/1018624838.db2.gz CWCRACFANUJXHC-ORAYPTAESA-N -1 3 349.434 3.650 20 30 EHEDHM CC(C)(C)OC(=O)Nc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1 ZINC000729149003 1019206831 /nfs/dbraw/zinc/20/68/31/1019206831.db2.gz GMVAADNVTKZFAC-UHFFFAOYSA-N -1 3 344.367 3.901 20 30 EHEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000341535250 1022158995 /nfs/dbraw/zinc/15/89/95/1022158995.db2.gz RXARENTULSWPPS-WMZOPIPTSA-N -1 3 340.810 3.958 20 30 EHEDHM CCc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)cc1 ZINC000435140517 1024648466 /nfs/dbraw/zinc/64/84/66/1024648466.db2.gz IKEKSCTUPFNZIL-UHFFFAOYSA-N -1 3 344.436 3.709 20 30 EHEDHM CC(C)(CCC#N)C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000345032372 1025084893 /nfs/dbraw/zinc/08/48/93/1025084893.db2.gz DOODOWBMHOAIEL-UHFFFAOYSA-N -1 3 335.256 3.602 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc2ccccc21 ZINC000019677088 1025257178 /nfs/dbraw/zinc/25/71/78/1025257178.db2.gz MQXIWBJAEIFPNL-UHFFFAOYSA-N -1 3 345.402 3.588 20 30 EHEDHM COc1cc(C(=O)N(C)C)ccc1N=Cc1cc(Cl)ccc1[O-] ZINC000255492101 1025428525 /nfs/dbraw/zinc/42/85/25/1025428525.db2.gz UFEJJXLBTBIMHM-UHFFFAOYSA-N -1 3 332.787 3.507 20 30 EHEDHM Cc1nc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)c(C)s1 ZINC000178706889 1028259546 /nfs/dbraw/zinc/25/95/46/1028259546.db2.gz BOJMKNAXCNMMFX-OAHLLOKOSA-N -1 3 349.415 3.874 20 30 EHEDHM C=CC[C@@H]1N(C(=O)c2cc(NC(C)=O)ccc2[O-])CCCC1(C)C ZINC000278257861 1029849716 /nfs/dbraw/zinc/84/97/16/1029849716.db2.gz 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CCc1c(C([O-])=C(C#N)c2ccccn2)cnn1-c1ccccc1C ZINC000187475720 1035828460 /nfs/dbraw/zinc/82/84/60/1035828460.db2.gz CWCARNXTSAQJJW-OAHLLOKOSA-N -1 3 330.391 3.628 20 30 EHEDHM CCCOc1cn(-c2ccccc2)nc1C([O-])=C(C#N)c1ccccn1 ZINC000103329841 1036891169 /nfs/dbraw/zinc/89/11/69/1036891169.db2.gz QSEWILPREZXIBB-MRXNPFEDSA-N -1 3 346.390 3.546 20 30 EHEDHM N#CC(=C([O-])c1cnc2n1CCC2)c1nc2cc(Cl)ccc2s1 ZINC000659050752 1036985114 /nfs/dbraw/zinc/98/51/14/1036985114.db2.gz KUDKZDNTIHSQID-JTQLQIEISA-N -1 3 342.811 3.582 20 30 EHEDHM Cc1nc(C(=O)[N-]c2sc3c(c2C#N)CC[C@H](C(C)C)C3)co1 ZINC000591005345 1037184509 /nfs/dbraw/zinc/18/45/09/1037184509.db2.gz ZTSSPFWEQOITCU-NSHDSACASA-N -1 3 329.425 3.929 20 30 EHEDHM N#CCOc1ccc(/C=C\C(=O)Nc2c([O-])cccc2Cl)cc1 ZINC000493272016 1037188948 /nfs/dbraw/zinc/18/89/48/1037188948.db2.gz UCQDAEOZCDJOHK-TWGQIWQCSA-N -1 3 328.755 3.600 20 30 EHEDHM CCO[C@H](C)c1ncc(C(=O)[N-]c2sc(CC)cc2C#N)s1 ZINC000443875614 1037962186 /nfs/dbraw/zinc/96/21/86/1037962186.db2.gz IOGHXNWFHXJRSA-SECBINFHSA-N -1 3 335.454 3.988 20 30 EHEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccccc1Nc1ccc(C)cc1 ZINC000462079600 1038749115 /nfs/dbraw/zinc/74/91/15/1038749115.db2.gz GPBVIRGUNUCUPT-HNNXBMFYSA-N -1 3 329.425 3.783 20 30 EHEDHM O=C([O-])C[C@H](CNCc1ccc(F)c(C(F)(F)F)c1)C(F)(F)F ZINC000417629513 1040089519 /nfs/dbraw/zinc/08/95/19/1040089519.db2.gz QKIIWXHVILXCRN-MRVPVSSYSA-N -1 3 347.230 3.587 20 30 EHEDHM CN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])[C@@H]1CCC[C@@H]1C#N ZINC000601816956 1042635078 /nfs/dbraw/zinc/63/50/78/1042635078.db2.gz HYBUUXHELNJDIB-RDTXWAMCSA-N -1 3 336.391 3.949 20 30 EHEDHM COC(=O)c1ccc(NN=C(C)c2cc(Cl)ccc2[O-])c(OC)c1 ZINC000756902537 1042852294 /nfs/dbraw/zinc/85/22/94/1042852294.db2.gz QEUXBPYDSVXIEH-UHFFFAOYSA-N -1 3 348.786 3.677 20 30 EHEDHM N#CC(=C([O-])c1c[nH]nc1-c1ccc(Cl)s1)c1ccccn1 ZINC000188677047 1043620531 /nfs/dbraw/zinc/62/05/31/1043620531.db2.gz DAXBBNAHXFCZOS-VIFPVBQESA-N -1 3 328.784 3.677 20 30 EHEDHM CSc1cccc(C(=O)[N-]c2scc(C)c2C#N)c1[N+](=O)[O-] ZINC000344885473 1044649677 /nfs/dbraw/zinc/64/96/77/1044649677.db2.gz BZIODSHMBYVHIP-UHFFFAOYSA-N -1 3 333.394 3.811 20 30 EHEDHM CCCCN([O-])C(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC001649060787 1128081269 /nfs/dbraw/zinc/08/12/69/1128081269.db2.gz CHLUTMGOEYDCHJ-UHFFFAOYSA-N -1 3 330.428 3.547 20 30 EHEDHM C[C@H](NCC1(C#N)CCC1)c1cc(Br)c(F)cc1[O-] ZINC000903033648 1128451534 /nfs/dbraw/zinc/45/15/34/1128451534.db2.gz WZCSXPJOSMZYKI-VIFPVBQESA-N -1 3 327.197 3.638 20 30 EHEDHM COc1ccc(C/N=C/c2cc(Br)ccc2[O-])cc1F ZINC000915111374 1121193320 /nfs/dbraw/zinc/19/33/20/1121193320.db2.gz HPZJHISLPWQFTB-GIJQJNRQSA-N -1 3 338.176 3.922 20 30 EHEDHM CC(=NNC(=S)Nc1ccccc1F)c1cc(Cl)ccc1[O-] ZINC000915923161 1121984615 /nfs/dbraw/zinc/98/46/15/1121984615.db2.gz FGJIAZPDNLUUNS-UHFFFAOYSA-N -1 3 337.807 3.895 20 30 EHEDHM COc1cc(C=NNCc2cccc3cccnc32)cc(Cl)c1[O-] ZINC000915959216 1121993723 /nfs/dbraw/zinc/99/37/23/1121993723.db2.gz JXVIZMUFHZIRBJ-UHFFFAOYSA-N -1 3 341.798 3.726 20 30 EHEDHM Cc1ncc(CO)c(/C=N\Cc2cccc(Oc3ccccc3)c2)c1[O-] ZINC000915980654 1122006220 /nfs/dbraw/zinc/00/62/20/1122006220.db2.gz XVSAIGZVMGGRDL-XKZIYDEJSA-N -1 3 348.402 3.999 20 30 EHEDHM CC(C)C(=N[N-]S(=O)(=O)CCc1ccccc1)C1CCCCC1 ZINC000743448411 1131920564 /nfs/dbraw/zinc/92/05/64/1131920564.db2.gz NSEPEPMRGXGBDX-UHFFFAOYSA-N -1 3 336.501 3.741 20 30 EHEDHM Cc1ccc(-n2ncc(C#N)c2Nc2c(F)cc([O-])cc2F)cc1 ZINC001175094837 1132566302 /nfs/dbraw/zinc/56/63/02/1132566302.db2.gz SRBAGUVMLFCTQM-UHFFFAOYSA-N -1 3 326.306 3.780 20 30 EHEDHM [O-]/N=C/c1cccc(NCc2ccc(Br)c(Cl)n2)c1 ZINC001169823239 1132870670 /nfs/dbraw/zinc/87/06/70/1132870670.db2.gz AENWPTZEZMLKTP-REZTVBANSA-N -1 3 340.608 3.918 20 30 EHEDHM O=C(/C=C/c1c(F)c(F)c(F)c(F)c1F)[N-]C1(C(F)(F)F)CC1 ZINC001179767977 1133277068 /nfs/dbraw/zinc/27/70/68/1133277068.db2.gz QDQUUOYWTTVCPE-OWOJBTEDSA-N -1 3 345.189 3.606 20 30 EHEDHM CN(Cc1cccc(C#N)c1)Cc1cc(Br)cc(F)c1[O-] ZINC001180394484 1133365446 /nfs/dbraw/zinc/36/54/46/1133365446.db2.gz WPDMQHJSXBHQGQ-UHFFFAOYSA-N -1 3 349.203 3.797 20 30 EHEDHM CCCCCCC[C@H](C)C(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001181122131 1133455909 /nfs/dbraw/zinc/45/59/09/1133455909.db2.gz SCVBVMAOXOWRDW-LBPRGKRZSA-N -1 3 331.416 3.976 20 30 EHEDHM N#C[C@@H](CC(=O)Nc1ncccc1[O-])c1c(Cl)cccc1Cl ZINC001183101076 1133769283 /nfs/dbraw/zinc/76/92/83/1133769283.db2.gz QDYCJIJFTVIXEL-SECBINFHSA-N -1 3 336.178 3.730 20 30 EHEDHM Cc1nnc(-c2ccc(C(=O)N([O-])Cc3ccccc3Cl)cc2)o1 ZINC001184283448 1133923248 /nfs/dbraw/zinc/92/32/48/1133923248.db2.gz KMQRHALVLUKWSJ-UHFFFAOYSA-N -1 3 343.770 3.730 20 30 EHEDHM O=C(CSCc1ccncc1)N([O-])CCCCc1ccccc1 ZINC001184293408 1133925137 /nfs/dbraw/zinc/92/51/37/1133925137.db2.gz RCIYHFVZPWPFFX-UHFFFAOYSA-N -1 3 330.453 3.556 20 30 EHEDHM C#CCOc1ccc(F)cc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787054091 1133950932 /nfs/dbraw/zinc/95/09/32/1133950932.db2.gz RXHQDAITIGMPIL-UHFFFAOYSA-N -1 3 345.345 3.644 20 30 EHEDHM Cc1ncc(CO)c(/C=N/C[C@@H](Cc2ccccc2)C(C)C)c1[O-] ZINC000787142404 1133959476 /nfs/dbraw/zinc/95/94/76/1133959476.db2.gz WETQANVILKFSKC-KKJJZKEWSA-N -1 3 326.440 3.522 20 30 EHEDHM COC[C@@H](Cc1ccccc1)/N=C/c1cc(Br)ccc1[O-] ZINC000746817478 1134280776 /nfs/dbraw/zinc/28/07/76/1134280776.db2.gz ZOJSZLIZJHNBOX-YDDPGSGASA-N -1 3 348.240 3.831 20 30 EHEDHM C#Cc1ccccc1[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC001187065823 1134291916 /nfs/dbraw/zinc/29/19/16/1134291916.db2.gz ZNCBSTQOPZYNBP-UHFFFAOYSA-N -1 3 340.231 3.917 20 30 EHEDHM N#Cc1c(F)cc([N-]c2nc3cccc(C(F)(F)F)n3n2)cc1F ZINC001203674679 1134426507 /nfs/dbraw/zinc/42/65/07/1134426507.db2.gz PGLROKXORWIEQF-UHFFFAOYSA-N -1 3 339.227 3.642 20 30 EHEDHM N#Cc1sccc1[N-]C(=O)c1nc(Cl)ccc1C(F)(F)F ZINC001188764326 1134505725 /nfs/dbraw/zinc/50/57/25/1134505725.db2.gz LVBRICWLQMAPHH-UHFFFAOYSA-N -1 3 331.706 3.939 20 30 EHEDHM N#C[C@@H]([N-]S(=O)(=O)c1ccc(F)c2ccccc21)c1ccccc1 ZINC001189355906 1134580110 /nfs/dbraw/zinc/58/01/10/1134580110.db2.gz MPGJFEDYEHLDOD-QGZVFWFLSA-N -1 3 340.379 3.522 20 30 EHEDHM [O-]C(=NO[C@H]1CCCCO1)Nc1cccc(C#Cc2ccccc2)c1 ZINC000775473400 1134903351 /nfs/dbraw/zinc/90/33/51/1134903351.db2.gz UCIJEJNABXCEMB-IBGZPJMESA-N -1 3 336.391 3.666 20 30 EHEDHM O=C([N-]O[C@H]1CCCCO1)Nc1cccc(C#Cc2ccccc2)c1 ZINC000775473400 1134903356 /nfs/dbraw/zinc/90/33/56/1134903356.db2.gz UCIJEJNABXCEMB-IBGZPJMESA-N -1 3 336.391 3.666 20 30 EHEDHM CN(C)[C@@H](C/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000005288925 1134920315 /nfs/dbraw/zinc/92/03/15/1134920315.db2.gz VTFIMEDBVMXOOZ-JJLFXSABSA-N -1 3 347.802 3.676 20 30 EHEDHM O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@H](c2cccs2)N2CCCC2)c1 ZINC000005293042 1134920700 /nfs/dbraw/zinc/92/07/00/1134920700.db2.gz AEGKCGZQKSIRKB-CLXYIWAZSA-N -1 3 345.424 3.618 20 30 EHEDHM N#Cc1c([N-]C(=O)c2cnc(C(F)F)cn2)sc2ccccc12 ZINC001192558246 1135029761 /nfs/dbraw/zinc/02/97/61/1135029761.db2.gz PUSSPMJOHSBTCG-UHFFFAOYSA-N -1 3 330.319 3.753 20 30 EHEDHM Cc1ncc(CO)c(/C=N\C[C@@H](C)Oc2ccc(C(C)C)cc2)c1[O-] ZINC000804597681 1135141494 /nfs/dbraw/zinc/14/14/94/1135141494.db2.gz CULQMUDJATWGMC-WHJAWBAWSA-N -1 3 342.439 3.598 20 30 EHEDHM N#CCc1cc(NC(=O)c2ccc([O-])cc2C(F)(F)F)ccc1F ZINC001193747224 1135181053 /nfs/dbraw/zinc/18/10/53/1135181053.db2.gz IIRQZBCCSBDTLB-UHFFFAOYSA-N -1 3 338.260 3.868 20 30 EHEDHM Cc1cc(C#N)c([N-]C(=S)NC(=O)c2ccccc2)cc1Cl ZINC001195421867 1135427954 /nfs/dbraw/zinc/42/79/54/1135427954.db2.gz OQUAWKWCCNTJSN-UHFFFAOYSA-N -1 3 329.812 3.647 20 30 EHEDHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C#N)c1ccc(C)o1 ZINC001196704017 1135597978 /nfs/dbraw/zinc/59/79/78/1135597978.db2.gz KIUBVZSCHPAPCO-CYBMUJFWSA-N -1 3 338.816 3.543 20 30 EHEDHM CCOc1cc(C=NNCC2CCCC2)cc(Br)c1[O-] ZINC000808005377 1135603328 /nfs/dbraw/zinc/60/33/28/1135603328.db2.gz CKJCXJVIIGEWLU-UHFFFAOYSA-N -1 3 341.249 3.667 20 30 EHEDHM Cc1noc([N-]C(=O)c2cc(F)cc(C(F)(F)F)c2Cl)c1C#N ZINC001198138620 1135774852 /nfs/dbraw/zinc/77/48/52/1135774852.db2.gz 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O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000051266362 214086769 /nfs/dbraw/zinc/08/67/69/214086769.db2.gz FBDAXTBOWKDAPP-RITPCOANSA-N -1 3 330.232 3.780 20 30 EHEDHM Fc1ccc([C@@H]2CCCC2N=Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737652643 599034208 /nfs/dbraw/zinc/03/42/08/599034208.db2.gz WIHXUOGYINRKBX-INIZCTEOSA-N -1 3 336.374 3.741 20 30 EHEDHM Fc1ccc([C@@H]2CCCC2N=Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737652643 599034210 /nfs/dbraw/zinc/03/42/10/599034210.db2.gz WIHXUOGYINRKBX-INIZCTEOSA-N -1 3 336.374 3.741 20 30 EHEDHM CC(N=Nc1cccc(-c2nnn[n-]2)c1)C(C)(C)c1ccc(F)cc1 ZINC000735450848 599191550 /nfs/dbraw/zinc/19/15/50/599191550.db2.gz GBWZTROTSYFIOJ-UHFFFAOYSA-N -1 3 338.390 3.771 20 30 EHEDHM CC(N=Nc1cccc(-c2nn[n-]n2)c1)C(C)(C)c1ccc(F)cc1 ZINC000735450848 599191553 /nfs/dbraw/zinc/19/15/53/599191553.db2.gz GBWZTROTSYFIOJ-UHFFFAOYSA-N -1 3 338.390 3.771 20 30 EHEDHM CC(C)Oc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000827049757 601300305 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O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000826400824 607915926 /nfs/dbraw/zinc/91/59/26/607915926.db2.gz JHVJOFKSAHZOSZ-ALCCZGGFSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000826400824 607915927 /nfs/dbraw/zinc/91/59/27/607915927.db2.gz JHVJOFKSAHZOSZ-ALCCZGGFSA-N -1 3 328.734 3.555 20 30 EHEDHM CC(=NNc1cccc(Cl)c1C)c1ccc(-c2nnn[n-]2)s1 ZINC000823962638 608094757 /nfs/dbraw/zinc/09/47/57/608094757.db2.gz NWEIAIYFMKTGDT-UHFFFAOYSA-N -1 3 332.820 3.726 20 30 EHEDHM Cc1cccc2c1[C@H](C)C(=Cc1ccc(-c3nnn[n-]3)cc1F)C2=O ZINC000826305340 608318935 /nfs/dbraw/zinc/31/89/35/608318935.db2.gz SLJHJOAKADVIBI-OXFWXOROSA-N -1 3 334.354 3.698 20 30 EHEDHM Cc1cccc2c1[C@H](C)C(=Cc1ccc(-c3nn[n-]n3)cc1F)C2=O ZINC000826305340 608318937 /nfs/dbraw/zinc/31/89/37/608318937.db2.gz SLJHJOAKADVIBI-OXFWXOROSA-N -1 3 334.354 3.698 20 30 EHEDHM Cc1cccc2c1[C@@H](C)C(=Cc1ccc(F)c(-c3nnn[n-]3)c1)C2=O ZINC000826305100 608883147 /nfs/dbraw/zinc/88/31/47/608883147.db2.gz KOOOHGKXNXKQLV-KYJZABPNSA-N -1 3 334.354 3.698 20 30 EHEDHM Cc1cccc2c1[C@@H](C)C(=Cc1ccc(F)c(-c3nn[n-]n3)c1)C2=O ZINC000826305100 608883148 /nfs/dbraw/zinc/88/31/48/608883148.db2.gz KOOOHGKXNXKQLV-KYJZABPNSA-N -1 3 334.354 3.698 20 30 EHEDHM CC(N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CCCC1 ZINC000735451210 944662000 /nfs/dbraw/zinc/66/20/00/944662000.db2.gz UABFPLUKFLGNHR-UHFFFAOYSA-N -1 3 338.337 3.864 20 30 EHEDHM CC(N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1CCCC1 ZINC000735451210 944662006 /nfs/dbraw/zinc/66/20/06/944662006.db2.gz UABFPLUKFLGNHR-UHFFFAOYSA-N -1 3 338.337 3.864 20 30 EHEDHM CC(C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1)=Cc1ccccc1 ZINC000824385386 946675662 /nfs/dbraw/zinc/67/56/62/946675662.db2.gz RWCDPKROMVOXAH-BXUXAFCHSA-N -1 3 334.354 3.848 20 30 EHEDHM CC(C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1)=Cc1ccccc1 ZINC000824385386 946675673 /nfs/dbraw/zinc/67/56/73/946675673.db2.gz RWCDPKROMVOXAH-BXUXAFCHSA-N -1 3 334.354 3.848 20 30 EHEDHM C=C[C@@H](CC)CC(=O)Nc1scc(C(C)(C)C)c1-c1nnn[n-]1 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N#Cc1cc2cccnc2nc1[N-]C(=O)c1sccc1C(F)(F)F ZINC001195205802 1135391997 /nfs/dbraw/zinc/39/19/97/1135391997.db2.gz ABBZOVYJOHQXIB-UHFFFAOYSA-N -1 3 348.309 3.834 20 30 EHEDHM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cc(C#N)ccc1Cl ZINC001195309221 1135410856 /nfs/dbraw/zinc/41/08/56/1135410856.db2.gz JVEIOPLWNXNFAU-UHFFFAOYSA-N -1 3 341.219 3.974 20 30 EHEDHM N#Cc1cc(-c2ccccc2)oc1[N-]C(=S)NC(=O)c1ccccc1 ZINC001195381951 1135422137 /nfs/dbraw/zinc/42/21/37/1135422137.db2.gz XMHHFAMOEKMQBA-UHFFFAOYSA-N -1 3 347.399 3.945 20 30 EHEDHM COc1cc(C)c(S(=O)(=O)[N-]c2c(C)cc(C#N)cc2C)c(C)c1 ZINC001196880836 1135621506 /nfs/dbraw/zinc/62/15/06/1135621506.db2.gz RKVDOHOKMKWDDV-UHFFFAOYSA-N -1 3 344.436 3.601 20 30 EHEDHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc([C@H](C)C#N)cc2)c(C)c1 ZINC001196880857 1135621722 /nfs/dbraw/zinc/62/17/22/1135621722.db2.gz RWDVTWCCHNBZIP-CQSZACIVSA-N -1 3 344.436 3.740 20 30 EHEDHM N#Cc1sccc1C(=O)[N-]c1nnc(-c2c(F)cccc2F)s1 ZINC001132005446 1135912110 /nfs/dbraw/zinc/91/21/10/1135912110.db2.gz 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C=C[C@H](C)O[N-]C(=O)CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000846545983 1137354726 /nfs/dbraw/zinc/35/47/26/1137354726.db2.gz RDUYHEXVUIPQPM-GOEBONIOSA-N -1 3 348.443 3.655 20 30 EHEDHM C=C[C@@H](C)O[N-]C(=O)CCCCOc1ccc(Br)cc1 ZINC000846545441 1137354828 /nfs/dbraw/zinc/35/48/28/1137354828.db2.gz OIZBGVBWGORQKE-GFCCVEGCSA-N -1 3 342.233 3.621 20 30 EHEDHM CCOc1ccc(C(=O)/C=C\c2c(F)ccc([O-])c2F)cc1[N+](=O)[O-] ZINC000794947272 1137375637 /nfs/dbraw/zinc/37/56/37/1137375637.db2.gz VBCWOSLPIKMIPJ-XQRVVYSFSA-N -1 3 349.289 3.873 20 30 EHEDHM C=CCn1c(=O)[n-]nc1SCc1cc(Cl)cc2cccnc21 ZINC000348132944 1137444537 /nfs/dbraw/zinc/44/45/37/1137444537.db2.gz OAHZVDUZCZYEHC-UHFFFAOYSA-N -1 3 332.816 3.664 20 30 EHEDHM CCCCOc1ccc2cc(N[C@@H]3C(=O)N([O-])C[C@@H]3C)ccc2c1 ZINC001171366399 1137458002 /nfs/dbraw/zinc/45/80/02/1137458002.db2.gz YTBLIIGGBYZNEP-UGSOOPFHSA-N -1 3 328.412 3.667 20 30 EHEDHM CCc1cc(C#N)c([N-]C(=O)c2nc(C)cc(C(F)(F)F)n2)s1 ZINC000875205612 1137630334 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EHEDHM Cc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c(C)c1 ZINC000822233901 599117488 /nfs/dbraw/zinc/11/74/88/599117488.db2.gz XMWCNLDOYSABNE-MHWRWJLKSA-N -1 3 330.391 3.696 20 30 EHEDHM C=CCOc1ccccc1CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000735436107 598678009 /nfs/dbraw/zinc/67/80/09/598678009.db2.gz FRXXILFQVDHBNA-UHFFFAOYSA-N -1 3 341.802 3.697 20 30 EHEDHM C=CCOc1ccccc1CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000735436107 598678011 /nfs/dbraw/zinc/67/80/11/598678011.db2.gz FRXXILFQVDHBNA-UHFFFAOYSA-N -1 3 341.802 3.697 20 30 EHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1Cl ZINC000822924063 607455275 /nfs/dbraw/zinc/45/52/75/607455275.db2.gz WKRAHZMJKAZBBP-BQYQJAHWSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1Cl ZINC000822924063 607455276 /nfs/dbraw/zinc/45/52/76/607455276.db2.gz WKRAHZMJKAZBBP-BQYQJAHWSA-N -1 3 328.734 3.555 20 30 EHEDHM CCCN(Cc1ccc(C#N)cc1)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000829496572 601619784 /nfs/dbraw/zinc/61/97/84/601619784.db2.gz JNXRPLPWTZLCHR-UHFFFAOYSA-N 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/nfs/dbraw/zinc/03/45/86/607034586.db2.gz GWEJMIHPMPLASQ-LLVKDONJSA-N -1 3 339.399 3.872 20 30 EHEDHM C[C@@H](SCc1cc(F)ccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000820548859 607034587 /nfs/dbraw/zinc/03/45/87/607034587.db2.gz GWEJMIHPMPLASQ-LLVKDONJSA-N -1 3 339.399 3.872 20 30 EHEDHM Cc1ccc(-c2nnn[n-]2)cc1OCc1ccccc1C(C)(C)C#N ZINC000822221292 607133238 /nfs/dbraw/zinc/13/32/38/607133238.db2.gz IYFLORIPMOQDOP-UHFFFAOYSA-N -1 3 333.395 3.555 20 30 EHEDHM Cc1ccc(-c2nn[n-]n2)cc1OCc1ccccc1C(C)(C)C#N ZINC000822221292 607133240 /nfs/dbraw/zinc/13/32/40/607133240.db2.gz IYFLORIPMOQDOP-UHFFFAOYSA-N -1 3 333.395 3.555 20 30 EHEDHM CC(C)Oc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000824324970 607884026 /nfs/dbraw/zinc/88/40/26/607884026.db2.gz XLIOMDXILCEXJU-XFXZXTDPSA-N -1 3 334.379 3.550 20 30 EHEDHM CC(C)Oc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000824324970 607884027 /nfs/dbraw/zinc/88/40/27/607884027.db2.gz XLIOMDXILCEXJU-XFXZXTDPSA-N -1 3 334.379 3.550 20 30 EHEDHM Clc1ccc(NN=Cc2ccccc2-c2nnn[n-]2)cc1Cl ZINC000826352548 607886257 /nfs/dbraw/zinc/88/62/57/607886257.db2.gz FSUZWPGUUUSBTC-UHFFFAOYSA-N -1 3 333.182 3.620 20 30 EHEDHM Clc1ccc(NN=Cc2ccccc2-c2nn[n-]n2)cc1Cl ZINC000826352548 607886258 /nfs/dbraw/zinc/88/62/58/607886258.db2.gz FSUZWPGUUUSBTC-UHFFFAOYSA-N -1 3 333.182 3.620 20 30 EHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Cl)c(F)c1 ZINC000826401412 608884340 /nfs/dbraw/zinc/88/43/40/608884340.db2.gz XVEFZRALYSWRHH-KXFIGUGUSA-N -1 3 346.724 3.694 20 30 EHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Cl)c(F)c1 ZINC000826401412 608884342 /nfs/dbraw/zinc/88/43/42/608884342.db2.gz XVEFZRALYSWRHH-KXFIGUGUSA-N -1 3 346.724 3.694 20 30 EHEDHM Cc1cc(C)c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000826262973 609271633 /nfs/dbraw/zinc/27/16/33/609271633.db2.gz GDXDVQGWTSGVDI-FNORWQNLSA-N -1 3 336.370 3.827 20 30 EHEDHM Cc1cc(C)c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000826262973 609271635 /nfs/dbraw/zinc/27/16/35/609271635.db2.gz GDXDVQGWTSGVDI-FNORWQNLSA-N -1 3 336.370 3.827 20 30 EHEDHM CCSc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000825674770 947287402 /nfs/dbraw/zinc/28/74/02/947287402.db2.gz RRLVDHFQNFRYAV-FMIVXFBMSA-N -1 3 336.420 3.875 20 30 EHEDHM CCSc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000825674770 947287408 /nfs/dbraw/zinc/28/74/08/947287408.db2.gz RRLVDHFQNFRYAV-FMIVXFBMSA-N -1 3 336.420 3.875 20 30 EHEDHM C=CCCCCCCCCNc1nnc(C)c(C)c1-c1nnn[n-]1 ZINC001573335516 947480658 /nfs/dbraw/zinc/48/06/58/947480658.db2.gz QGHGZIFYFYKJDM-UHFFFAOYSA-N -1 3 329.452 3.602 20 30 EHEDHM C=CCCCCCCCCNc1nnc(C)c(C)c1-c1nn[n-]n1 ZINC001573335516 947480666 /nfs/dbraw/zinc/48/06/66/947480666.db2.gz QGHGZIFYFYKJDM-UHFFFAOYSA-N -1 3 329.452 3.602 20 30 EHEDHM N#CC(=C([O-])C=Cc1ccccc1OC(F)(F)F)c1ccccn1 ZINC000049457679 1014171912 /nfs/dbraw/zinc/17/19/12/1014171912.db2.gz DOXYYHFAGJCZFG-YXVBKTCISA-N -1 3 332.281 3.870 20 30 EHEDHM C[C@@H](CC#N)Sc1ccccc1NC([O-])=NO[C@H]1CCCCO1 ZINC000274750476 1014814249 /nfs/dbraw/zinc/81/42/49/1014814249.db2.gz AQFWQDNJZHGABQ-WFASDCNBSA-N -1 3 335.429 3.661 20 30 EHEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000274750476 1014814263 /nfs/dbraw/zinc/81/42/63/1014814263.db2.gz AQFWQDNJZHGABQ-WFASDCNBSA-N -1 3 335.429 3.661 20 30 EHEDHM C=CCN(Cc1ccc(OC)cc1)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001588832627 984324548 /nfs/dbraw/zinc/32/45/48/984324548.db2.gz LPGJPZAAWGDPMT-GOSISDBHSA-N -1 3 329.371 3.648 20 30 EHEDHM CCOc1ccc(/C=C\C(=O)c2cc(OC)c([O-])cc2OC)cc1 ZINC000254956141 1015229586 /nfs/dbraw/zinc/22/95/86/1015229586.db2.gz CTIKXRGHMOIBPO-YFHOEESVSA-N -1 3 328.364 3.704 20 30 EHEDHM COc1cc(OC)c(OC)cc1/C=C\C(=O)c1ccc([O-])c(C)c1 ZINC000728231947 1016269277 /nfs/dbraw/zinc/26/92/77/1016269277.db2.gz OMYMBVAPEHBTNA-VURMDHGXSA-N -1 3 328.364 3.623 20 30 EHEDHM N#Cc1c(F)cccc1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC000189023566 1016403264 /nfs/dbraw/zinc/40/32/64/1016403264.db2.gz SUANBLRZPZLHIS-UHFFFAOYSA-N -1 3 330.369 3.530 20 30 EHEDHM CC(=O)c1ncc(C(=O)[N-]c2sc3c(c2C#N)CCCCC3)s1 ZINC000414713499 1017150618 /nfs/dbraw/zinc/15/06/18/1017150618.db2.gz VSAQYIQOMZLWKV-UHFFFAOYSA-N -1 3 345.449 3.800 20 30 EHEDHM N#CCCCSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000593051378 1032684409 /nfs/dbraw/zinc/68/44/09/1032684409.db2.gz LPESKHLRTYRVCR-UHFFFAOYSA-N -1 3 345.815 3.570 20 30 EHEDHM Cc1ccn2cc(C([O-])=C(C#N)c3ncc(C(C)(C)C)s3)nc2c1 ZINC000430586517 1020803485 /nfs/dbraw/zinc/80/34/85/1020803485.db2.gz TVIXFKZVUNHTPO-LBPRGKRZSA-N -1 3 338.436 3.887 20 30 EHEDHM COc1ccc2c(c1)C(=O)/C(=C/c1cc(Cl)c([O-])c(OC)c1)C2 ZINC000255328535 1021181487 /nfs/dbraw/zinc/18/14/87/1021181487.db2.gz ADFVTVAUEREOIE-LFYBBSHMSA-N -1 3 330.767 3.885 20 30 EHEDHM Cc1sc2[n-]c([C@@H](C)OC(=O)CC(C)(C)C#N)nc(=O)c2c1C ZINC000785080581 1022340177 /nfs/dbraw/zinc/34/01/77/1022340177.db2.gz RBLNIXRDMQNSBT-SECBINFHSA-N -1 3 333.413 3.558 20 30 EHEDHM N#Cc1ccc([N-]S(=O)(=O)c2cccc3ccccc32)c(F)c1 ZINC000135366286 1022616429 /nfs/dbraw/zinc/61/64/29/1022616429.db2.gz QNGSLYZZTXCECV-UHFFFAOYSA-N -1 3 326.352 3.651 20 30 EHEDHM Cc1ccncc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000426168994 1023030553 /nfs/dbraw/zinc/03/05/53/1023030553.db2.gz XGHMBHPMOBPLLR-LLVKDONJSA-N -1 3 326.306 3.625 20 30 EHEDHM Cc1cc(N2CCC(/N=C\c3cc(Cl)ccc3[O-])CC2)nc(C)n1 ZINC000255441304 1024435109 /nfs/dbraw/zinc/43/51/09/1024435109.db2.gz SOPPFDHMGKMASA-JAIQZWGSSA-N -1 3 344.846 3.540 20 30 EHEDHM N#Cc1ccccc1OC1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142527188 1033272627 /nfs/dbraw/zinc/27/26/27/1033272627.db2.gz NQTSGXITNAWLPY-UHFFFAOYSA-N -1 3 344.361 3.585 20 30 EHEDHM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000515909061 1025738888 /nfs/dbraw/zinc/73/88/88/1025738888.db2.gz DTHULDYWDACKHY-ZDUSSCGKSA-N -1 3 335.256 3.600 20 30 EHEDHM CNC(=O)c1ccc(C)c(N=Cc2cc(Br)ccc2[O-])c1 ZINC000255547463 1027597618 /nfs/dbraw/zinc/59/76/18/1027597618.db2.gz GHKFZYVTXDQQHG-UHFFFAOYSA-N -1 3 347.212 3.573 20 30 EHEDHM CC[C@H](C#N)Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000614799539 1027728587 /nfs/dbraw/zinc/72/85/87/1027728587.db2.gz WQJPCFPIFCSLGK-LLVKDONJSA-N -1 3 345.815 3.569 20 30 EHEDHM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1CCC(C)C ZINC000160051365 1030503788 /nfs/dbraw/zinc/50/37/88/1030503788.db2.gz QKAVQAQOTMRPGA-HNNXBMFYSA-N -1 3 349.438 3.614 20 30 EHEDHM N#Cc1cccc(-c2cc(C(=O)[N-]c3cc(F)ccc3F)on2)c1 ZINC000448097636 1030742598 /nfs/dbraw/zinc/74/25/98/1030742598.db2.gz JPOSOQPFYYZJID-UHFFFAOYSA-N -1 3 325.274 3.744 20 30 EHEDHM CCCCCCN([O-])C(=O)[C@H](C)c1c(C)nn(CC(F)(F)F)c1C ZINC000904204193 1031852971 /nfs/dbraw/zinc/85/29/71/1031852971.db2.gz GWVUHJBDIPLSMI-LLVKDONJSA-N -1 3 349.397 3.964 20 30 EHEDHM C[C@]1(C#N)CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000612367074 1034846772 /nfs/dbraw/zinc/84/67/72/1034846772.db2.gz AVNHDAQWMZLBPO-JOCHJYFZSA-N -1 3 348.446 3.943 20 30 EHEDHM Cc1csc(C(C#N)=C([O-])c2cccc([C@@H]3CCCOC3)c2)n1 ZINC000535042657 1035924956 /nfs/dbraw/zinc/92/49/56/1035924956.db2.gz VSYFVJWXDUBFBD-HZPDHXFCSA-N -1 3 326.421 3.836 20 30 EHEDHM C[C@H](C(=O)Nc1cc(Br)ccc1[O-])c1cccc(C#N)c1 ZINC000462197185 1038854102 /nfs/dbraw/zinc/85/41/02/1038854102.db2.gz SHWINIIHWIYFCR-JTQLQIEISA-N -1 3 345.196 3.769 20 30 EHEDHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3ocnc3C3CC3)sc2C1 ZINC000554674607 1039590138 /nfs/dbraw/zinc/59/01/38/1039590138.db2.gz FFTDYYLJULRGNH-VIFPVBQESA-N -1 3 327.409 3.862 20 30 EHEDHM N#CC(=C([O-])C=Cc1ccc(Cl)s1)c1nnc2n1CCCCC2 ZINC000054726519 1040982159 /nfs/dbraw/zinc/98/21/59/1040982159.db2.gz IJMDUQIYVWDCCM-HOSRBBHYSA-N -1 3 346.843 3.609 20 30 EHEDHM N#C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1Cl ZINC000468828230 1041659378 /nfs/dbraw/zinc/65/93/78/1041659378.db2.gz DYKLCOKFRGIUBR-MRXNPFEDSA-N -1 3 346.789 3.888 20 30 EHEDHM COc1cnc(F)c(C(=O)[N-]c2ccccc2S[C@@H](C)CC#N)c1 ZINC001126122914 1042253869 /nfs/dbraw/zinc/25/38/69/1042253869.db2.gz IJAZTVXOGBLSDZ-NSHDSACASA-N -1 3 345.399 3.876 20 30 EHEDHM CC(=O)c1ccc(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)s1 ZINC000764301718 1127475415 /nfs/dbraw/zinc/47/54/15/1127475415.db2.gz FBJSRHHXIZNLCO-UHFFFAOYSA-N -1 3 349.755 3.636 20 30 EHEDHM Cc1c(C(=O)N([O-])Cc2ccccc2Cl)cnn1CCC(C)C ZINC001649046576 1127998454 /nfs/dbraw/zinc/99/84/54/1127998454.db2.gz YTGLOJFTBZLLMB-UHFFFAOYSA-N -1 3 335.835 3.923 20 30 EHEDHM COCCCOc1cccc(C(=O)N([O-])Cc2ccc(F)cc2)c1C ZINC001649075824 1128153281 /nfs/dbraw/zinc/15/32/81/1128153281.db2.gz GTDVVCLFBRUPOI-UHFFFAOYSA-N -1 3 347.386 3.581 20 30 EHEDHM COc1ccc(S[C@@H](C)C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000076462427 1128922066 /nfs/dbraw/zinc/92/20/66/1128922066.db2.gz MFRALRAEADHXLH-JTQLQIEISA-N -1 3 344.396 3.842 20 30 EHEDHM COc1cc(C=NNc2cccc(Cl)c2C)c([N+](=O)[O-])cc1[O-] ZINC000915051010 1121151298 /nfs/dbraw/zinc/15/12/98/1121151298.db2.gz JNRKGNQMUVRBJT-UHFFFAOYSA-N -1 3 335.747 3.717 20 30 EHEDHM CCCOc1ccc(N=Cc2c([O-])c(C)ncc2CO)cc1Cl ZINC000917557257 1122636751 /nfs/dbraw/zinc/63/67/51/1122636751.db2.gz CSBDPKRDYRKBQI-UHFFFAOYSA-N -1 3 334.803 3.781 20 30 EHEDHM C=CCNc1ncc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)s1 ZINC000129789818 1122847361 /nfs/dbraw/zinc/84/73/61/1122847361.db2.gz ZXYFKFAKAYOEAU-UHFFFAOYSA-N -1 3 343.330 3.718 20 30 EHEDHM N#CC1(c2ccc(Nc3ncc(Br)cc3[O-])cc2)CC1 ZINC001212245246 1123217036 /nfs/dbraw/zinc/21/70/36/1123217036.db2.gz JONYOJMLXXYWGF-UHFFFAOYSA-N -1 3 330.185 3.848 20 30 EHEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000920383644 1123363319 /nfs/dbraw/zinc/36/33/19/1123363319.db2.gz MDVNFBIRFYSGTG-UHFFFAOYSA-N -1 3 346.496 3.698 20 30 EHEDHM COc1ccc(CC/N=C/c2cc(Cl)ccc2[O-])c(OC)c1OC ZINC000067952220 1123792330 /nfs/dbraw/zinc/79/23/30/1123792330.db2.gz GQVPYYJIIQZFLD-RGVLZGJSSA-N -1 3 349.814 3.733 20 30 EHEDHM [O-]c1ccc(Br)cc1/C=N/C[C@H](O)C1CCCCC1 ZINC000067952234 1123792513 /nfs/dbraw/zinc/79/25/13/1123792513.db2.gz IWNNRRPHODYGOO-ZUZCKIMGSA-N -1 3 326.234 3.515 20 30 EHEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1c(F)ccc([O-])c1F ZINC000509005621 1129640856 /nfs/dbraw/zinc/64/08/56/1129640856.db2.gz DPCGPBDJELUALN-YOEHRIQHSA-N -1 3 328.362 3.942 20 30 EHEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1ccc2c(c1)OCCO2 ZINC000730589861 1130721592 /nfs/dbraw/zinc/72/15/92/1130721592.db2.gz IMXDUEWAUJUDSI-MJWAUXSNSA-N -1 3 326.323 3.686 20 30 EHEDHM O=C(C/N=C\c1cc(Cl)ccc1[O-])OCc1ccccc1Cl ZINC000733205162 1131004991 /nfs/dbraw/zinc/00/49/91/1131004991.db2.gz LSLCVULBHFXWJI-UWVJOHFNSA-N -1 3 338.190 3.861 20 30 EHEDHM O=C1[C@@H](/N=C/c2cc(Cl)ccc2[O-])CCCN1c1ccccc1 ZINC000733903675 1131165095 /nfs/dbraw/zinc/16/50/95/1131165095.db2.gz ORIJQHMNCRPRGH-DORSJAEJSA-N -1 3 328.799 3.660 20 30 EHEDHM CC[C@@H](/N=C\c1c([O-])c(C)ncc1CO)C(C)(C)c1ccccc1 ZINC000741466328 1131605790 /nfs/dbraw/zinc/60/57/90/1131605790.db2.gz MRZFMDZAGAPTKI-WQFTWXBESA-N -1 3 326.440 3.763 20 30 EHEDHM CC1CCN(C(=O)c2ccc(Nc3cc(C#N)ccc3[O-])cc2)CC1 ZINC001174160759 1132260441 /nfs/dbraw/zinc/26/04/41/1132260441.db2.gz CHBJIRRYRIJDMZ-UHFFFAOYSA-N -1 3 335.407 3.880 20 30 EHEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)Cc2ccc(C(C)C)cc2)c1[O-] ZINC000766673392 1132735313 /nfs/dbraw/zinc/73/53/13/1132735313.db2.gz VYMBAVVWSJPUAK-LRXPYSHVSA-N -1 3 326.440 3.761 20 30 EHEDHM C/C(=N\[S@](=O)C(C)(C)C)c1ccc(NCc2ncccc2[O-])cc1 ZINC001169737929 1132844529 /nfs/dbraw/zinc/84/45/29/1132844529.db2.gz YCVNWSZNHVXDCW-QYAMMSNYSA-N -1 3 345.468 3.671 20 30 EHEDHM CC[C@@H]([N-]C(=O)/C=C/c1c(F)c(F)c(F)c(F)c1F)C(F)(F)F ZINC001179768681 1133277510 /nfs/dbraw/zinc/27/75/10/1133277510.db2.gz ZZRRJIMBGWXXAZ-FCJGRKLLSA-N -1 3 347.205 3.852 20 30 EHEDHM C=CCC[C@@H](NC=C1C(=O)[N-]C(=O)c2ccccc21)c1ccccc1 ZINC000771839910 1133598835 /nfs/dbraw/zinc/59/88/35/1133598835.db2.gz WJCVWOTZNIRDKT-GDLUXTLDSA-N -1 3 332.403 3.595 20 30 EHEDHM Cc1cc(Cl)c(C(=O)N([O-])Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC001184348732 1133930555 /nfs/dbraw/zinc/93/05/55/1133930555.db2.gz SLALMQSPWIEWQN-UHFFFAOYSA-N -1 3 338.722 3.727 20 30 EHEDHM Cc1cc(Br)ccc1NC(=O)Nc1ccc([O-])cc1C#N ZINC001184820942 1133994106 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CCCCCCCC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736444148 598489917 /nfs/dbraw/zinc/48/99/17/598489917.db2.gz FJEZCZOFQXTMFU-UHFFFAOYSA-N -1 3 332.452 3.722 20 30 EHEDHM CCCCCCCC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736444148 598489915 /nfs/dbraw/zinc/48/99/15/598489915.db2.gz FJEZCZOFQXTMFU-UHFFFAOYSA-N -1 3 332.452 3.722 20 30 EHEDHM FC(F)(F)c1cc(N=NC2CC3(CCC3)C2)ccc1-c1nnn[n-]1 ZINC000822723669 607464942 /nfs/dbraw/zinc/46/49/42/607464942.db2.gz KGJKPFJKKSLPHT-UHFFFAOYSA-N -1 3 336.321 3.618 20 30 EHEDHM FC(F)(F)c1cc(N=NC2CC3(CCC3)C2)ccc1-c1nn[n-]n1 ZINC000822723669 607464943 /nfs/dbraw/zinc/46/49/43/607464943.db2.gz KGJKPFJKKSLPHT-UHFFFAOYSA-N -1 3 336.321 3.618 20 30 EHEDHM CC(C)Oc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000827049756 601300416 /nfs/dbraw/zinc/30/04/16/601300416.db2.gz YONZTCJWCIZEKN-IFXJQAMLSA-N -1 3 338.407 3.822 20 30 EHEDHM COc1ccc(C=C2C[C@H](C)c3ccccc3C2=O)cc1-c1nnn[n-]1 ZINC000826190917 607681324 /nfs/dbraw/zinc/68/13/24/607681324.db2.gz QVKVEHBRONDXEK-GVIGZQTCSA-N -1 3 346.390 3.649 20 30 EHEDHM COc1ccc(C=C2C[C@H](C)c3ccccc3C2=O)cc1-c1nn[n-]n1 ZINC000826190917 607681326 /nfs/dbraw/zinc/68/13/26/607681326.db2.gz QVKVEHBRONDXEK-GVIGZQTCSA-N -1 3 346.390 3.649 20 30 EHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ccc2cc(O)ccc2c1 ZINC000822922070 606392533 /nfs/dbraw/zinc/39/25/33/606392533.db2.gz CIACWRQXZSBVLC-XCVCLJGOSA-N -1 3 342.358 3.622 20 30 EHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1ccc2cc(O)ccc2c1 ZINC000822922070 606392534 /nfs/dbraw/zinc/39/25/34/606392534.db2.gz CIACWRQXZSBVLC-XCVCLJGOSA-N -1 3 342.358 3.622 20 30 EHEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1ccc2cc(O)ccc2c1 ZINC000822929189 606392973 /nfs/dbraw/zinc/39/29/73/606392973.db2.gz RAVRTXJNZHYUOA-WTKPLQERSA-N -1 3 342.358 3.622 20 30 EHEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1ccc2cc(O)ccc2c1 ZINC000822929189 606392975 /nfs/dbraw/zinc/39/29/75/606392975.db2.gz RAVRTXJNZHYUOA-WTKPLQERSA-N -1 3 342.358 3.622 20 30 EHEDHM CC(Cc1nc2ccccc2s1)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000820307311 606433351 /nfs/dbraw/zinc/43/33/51/606433351.db2.gz KRVKMWJEFNXMHY-UHFFFAOYSA-N -1 3 349.423 3.507 20 30 EHEDHM CC(Cc1nc2ccccc2s1)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000820307311 606433353 /nfs/dbraw/zinc/43/33/53/606433353.db2.gz KRVKMWJEFNXMHY-UHFFFAOYSA-N -1 3 349.423 3.507 20 30 EHEDHM COc1cccc2cc(C(=O)C=Cc3ccccc3-c3nnn[n-]3)oc21 ZINC000826218147 607884381 /nfs/dbraw/zinc/88/43/81/607884381.db2.gz QQFIERZSDLMEQA-MDZDMXLPSA-N -1 3 346.346 3.518 20 30 EHEDHM COc1cccc2cc(C(=O)C=Cc3ccccc3-c3nn[n-]n3)oc21 ZINC000826218147 607884382 /nfs/dbraw/zinc/88/43/82/607884382.db2.gz QQFIERZSDLMEQA-MDZDMXLPSA-N -1 3 346.346 3.518 20 30 EHEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)[C@H](C)C1CCCCC1 ZINC000823953864 608535301 /nfs/dbraw/zinc/53/53/01/608535301.db2.gz SWBSEJVXWDUMCG-JTQLQIEISA-N -1 3 347.854 3.919 20 30 EHEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)[C@H](C)C1CCCCC1 ZINC000823953864 608535303 /nfs/dbraw/zinc/53/53/03/608535303.db2.gz SWBSEJVXWDUMCG-JTQLQIEISA-N -1 3 347.854 3.919 20 30 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C[C@@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1cccc(C#N)c1 ZINC000610346308 1018355620 /nfs/dbraw/zinc/35/56/20/1018355620.db2.gz SPOMIJVVQMFJDL-GFCCVEGCSA-N -1 3 344.374 3.804 20 30 EHEDHM [O-]c1ccc(Br)cc1/C=N/CCC[C@H]1CCCCO1 ZINC000761016231 1032866110 /nfs/dbraw/zinc/86/61/10/1032866110.db2.gz WACRZQGPUCOOHD-SWEABUAFSA-N -1 3 326.234 3.923 20 30 EHEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1c(Cl)oc2ccccc12 ZINC000761260065 1032906564 /nfs/dbraw/zinc/90/65/64/1032906564.db2.gz CXYJVVQYKIRKKK-UHFFFAOYSA-N -1 3 348.811 3.540 20 30 EHEDHM C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(CC)cc2[O-])cc1 ZINC000436801891 1021248997 /nfs/dbraw/zinc/24/89/97/1021248997.db2.gz GCGMIDVPZGHNIX-UHFFFAOYSA-N -1 3 339.395 3.514 20 30 EHEDHM Cc1oc(C#N)cc1C(=O)[N-]c1nnc(-c2cc(F)ccc2C)s1 ZINC000437166137 1021620084 /nfs/dbraw/zinc/62/00/84/1021620084.db2.gz YBFZSROSEPALGG-UHFFFAOYSA-N -1 3 342.355 3.678 20 30 EHEDHM C[C@H](C(=O)[N-][C@H](C#N)c1cccc(Cl)c1Cl)C(F)(F)F ZINC000080161172 1033013379 /nfs/dbraw/zinc/01/33/79/1033013379.db2.gz 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1120107791 /nfs/dbraw/zinc/10/77/91/1120107791.db2.gz ADDYFEPDNFVFCP-SNVBAGLBSA-N -1 3 328.637 3.653 20 30 EHEDHM Cc1cc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)ccc1OC(C)C ZINC000077704687 1129058052 /nfs/dbraw/zinc/05/80/52/1129058052.db2.gz JWASANCJDRZCKM-UHFFFAOYSA-N -1 3 344.436 3.649 20 30 EHEDHM Cc1ncc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)s1 ZINC000917542745 1122627249 /nfs/dbraw/zinc/62/72/49/1122627249.db2.gz OWDRBXLPXGLXRN-UHFFFAOYSA-N -1 3 347.494 3.506 20 30 EHEDHM Cc1ncc(CO)c(/C=N/[C@H](C)CC(C)(C)c2ccccc2)c1[O-] ZINC000920991017 1123444807 /nfs/dbraw/zinc/44/48/07/1123444807.db2.gz MXTBZKFQIJHSLO-STCDJXRXSA-N -1 3 326.440 3.763 20 30 EHEDHM COc1ccc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)c([O-])c1 ZINC000615435038 1123799017 /nfs/dbraw/zinc/79/90/17/1123799017.db2.gz NADLXLNIMUOTHO-UHFFFAOYSA-N -1 3 337.162 3.832 20 30 EHEDHM N#CCCN(C(=O)CCCc1ccc([O-])c(F)c1)c1ccc(F)cc1 ZINC000615759139 1123870918 /nfs/dbraw/zinc/87/09/18/1123870918.db2.gz BOMAHXFBGGMPDT-UHFFFAOYSA-N -1 3 344.361 3.940 20 30 EHEDHM Cc1cccc(C)c1COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000738596482 1131475114 /nfs/dbraw/zinc/47/51/14/1131475114.db2.gz DUMNJEXXGWOVCF-UHFFFAOYSA-N -1 3 338.407 3.569 20 30 EHEDHM CC(C)c1nc(C#N)c(N=NCc2ccc([O-])c(Br)c2)o1 ZINC000745611740 1132284772 /nfs/dbraw/zinc/28/47/72/1132284772.db2.gz GIMCKOLOOZIQQT-UHFFFAOYSA-N -1 3 349.188 3.584 20 30 EHEDHM N#Cc1cc(Cl)c(Nc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC001175427965 1132665401 /nfs/dbraw/zinc/66/54/01/1132665401.db2.gz CDMPWILVNJIBDT-UHFFFAOYSA-N -1 3 331.166 3.789 20 30 EHEDHM C[Si](C)(C)C#Cc1cc(Cl)cnc1NCc1ncccc1[O-] ZINC001169733114 1132842423 /nfs/dbraw/zinc/84/24/23/1132842423.db2.gz OULGAGZHYBOOMK-UHFFFAOYSA-N -1 3 331.879 3.677 20 30 EHEDHM C[C@H]1CC(N=Nc2ccccc2C(=O)[O-])CN(Cc2ccccc2)C1 ZINC000767360261 1132989437 /nfs/dbraw/zinc/98/94/37/1132989437.db2.gz LBFUEMLEQIEIHQ-HNNXBMFYSA-N -1 3 337.423 3.695 20 30 EHEDHM CC#CCCCC(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000767673642 1133030903 /nfs/dbraw/zinc/03/09/03/1133030903.db2.gz 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N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cc([O-])c2ccccc2c1 ZINC000792491708 1134689483 /nfs/dbraw/zinc/68/94/83/1134689483.db2.gz MMKRIHGEUDGFAT-IBGZPJMESA-N -1 3 328.371 3.834 20 30 EHEDHM C#CC[C@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccccc1 ZINC000775401725 1134727738 /nfs/dbraw/zinc/72/77/38/1134727738.db2.gz YOIDXWSVAZSKJN-INIZCTEOSA-N -1 3 343.386 3.936 20 30 EHEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCCc3sc(Cl)cc32)c1[O-] ZINC000793666624 1134979041 /nfs/dbraw/zinc/97/90/41/1134979041.db2.gz HJSKMFOBMWGREV-KUJOXMSCSA-N -1 3 336.844 3.799 20 30 EHEDHM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(F)c1Cl ZINC001196680039 1135592916 /nfs/dbraw/zinc/59/29/16/1135592916.db2.gz UKJSZIWHMFRCGJ-UHFFFAOYSA-N -1 3 345.182 3.805 20 30 EHEDHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc([C@@H](C)C#N)cc2)c(C)c1 ZINC001196880848 1135621652 /nfs/dbraw/zinc/62/16/52/1135621652.db2.gz RWDVTWCCHNBZIP-AWEZNQCLSA-N -1 3 344.436 3.740 20 30 EHEDHM CC(C)Oc1c(F)ccc(C(=O)Nc2ccc([O-])c(C#N)c2)c1F ZINC001196920528 1135626166 /nfs/dbraw/zinc/62/61/66/1135626166.db2.gz GIHWHLLPBREXNV-UHFFFAOYSA-N -1 3 332.306 3.582 20 30 EHEDHM CC(C)(C)n1ncc(C(=O)[N-]c2c(C#N)ccc(F)c2F)c1Cl ZINC001196954522 1135633483 /nfs/dbraw/zinc/63/34/83/1135633483.db2.gz HWZWPIHMUSZBLC-UHFFFAOYSA-N -1 3 338.745 3.694 20 30 EHEDHM N#Cc1cc(NC(=S)Nc2ccccc2Br)ccc1[O-] ZINC001197790056 1135737661 /nfs/dbraw/zinc/73/76/61/1135737661.db2.gz SDLYDHQXQVRZDH-UHFFFAOYSA-N -1 3 348.225 3.835 20 30 EHEDHM CC(C)COc1cnccc1C(=O)[N-]c1c(C#N)oc2ccccc21 ZINC001199099040 1135880763 /nfs/dbraw/zinc/88/07/63/1135880763.db2.gz JEWSQTHMDFSVJM-UHFFFAOYSA-N -1 3 335.363 3.987 20 30 EHEDHM N#Cc1ccc(OCCOC(=O)c2cc3cc(Cl)sc3[n-]2)cc1 ZINC000810579163 1135977862 /nfs/dbraw/zinc/97/78/62/1135977862.db2.gz DMISDTOLNLXEMN-UHFFFAOYSA-N -1 3 346.795 3.990 20 30 EHEDHM Cc1ccc(-c2cnc(COC(=O)c3cc([O-])cc(C#N)c3)o2)cc1 ZINC000811188663 1136056921 /nfs/dbraw/zinc/05/69/21/1136056921.db2.gz SKOCJDHQBCUWMD-UHFFFAOYSA-N -1 3 334.331 3.584 20 30 EHEDHM C=CCCO[N-]C(=O)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000856033767 1136751044 /nfs/dbraw/zinc/75/10/44/1136751044.db2.gz QCWGJXYBPSUGEL-UHFFFAOYSA-N -1 3 329.318 3.532 20 30 EHEDHM C=CCCO[N-]C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC000825555634 1137039387 /nfs/dbraw/zinc/03/93/87/1137039387.db2.gz DSXHRWZRFQHKDN-AWEZNQCLSA-N -1 3 346.427 3.539 20 30 EHEDHM CCc1ccc([C@@H](O)C/N=C/c2cc(Br)ccc2[O-])cc1 ZINC000794682196 1137226013 /nfs/dbraw/zinc/22/60/13/1137226013.db2.gz UCUIJOPTTXCUEQ-AEUYPJEVSA-N -1 3 348.240 3.870 20 30 EHEDHM N#CC(C(=O)Cc1ccc(Cl)s1)=C([O-])C1(c2ccccc2)CC1 ZINC000845844561 1137312110 /nfs/dbraw/zinc/31/21/10/1137312110.db2.gz HHXYJLLRTZZZBE-CQSZACIVSA-N -1 3 343.835 3.954 20 30 EHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])Cc1ccc(Cl)s1 ZINC000845844561 1137312111 /nfs/dbraw/zinc/31/21/11/1137312111.db2.gz HHXYJLLRTZZZBE-CQSZACIVSA-N -1 3 343.835 3.954 20 30 EHEDHM Cc1ccc(OCC(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)c(C)c1 ZINC000845835556 1137314301 /nfs/dbraw/zinc/31/43/01/1137314301.db2.gz BXWVRTLYCZEWMZ-GOSISDBHSA-N -1 3 347.414 3.692 20 30 EHEDHM COC[C@H](N[C@@H](C)c1cccc(C#N)c1[O-])c1ccc(F)c(F)c1 ZINC000866310649 1137344536 /nfs/dbraw/zinc/34/45/36/1137344536.db2.gz HXQIOHZJWZVHQA-GTNSWQLSSA-N -1 3 332.350 3.580 20 30 EHEDHM COc1cc(C)cc2c1OC/C(=C/c1c(F)ccc([O-])c1F)C2=O ZINC000794935604 1137366953 /nfs/dbraw/zinc/36/69/53/1137366953.db2.gz SHTIMVMLLQBDQP-YFHOEESVSA-N -1 3 332.302 3.646 20 30 EHEDHM N#Cc1sccc1[N-]C(=O)c1nc(Cl)ccc1Br ZINC001148018924 1137416716 /nfs/dbraw/zinc/41/67/16/1137416716.db2.gz UBEFSCCEMZETGH-UHFFFAOYSA-N -1 3 342.605 3.683 20 30 EHEDHM C#CC[C@H]1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000886359918 1138070869 /nfs/dbraw/zinc/07/08/69/1138070869.db2.gz LZPBCMBDWWJXRC-LBPRGKRZSA-N -1 3 339.420 3.502 20 30 EHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(C(F)F)cc3)nc1-2 ZINC000429574234 1139991947 /nfs/dbraw/zinc/99/19/47/1139991947.db2.gz GBFVCUQXFBVMDY-LBPRGKRZSA-N -1 3 326.306 3.694 20 30 EHEDHM COCc1ccccc1C(=O)Nc1n[n-]c(-c2ccccc2Cl)n1 ZINC000078790596 217122119 /nfs/dbraw/zinc/12/21/19/217122119.db2.gz XFDAZDSHXGNQOE-UHFFFAOYSA-N -1 3 342.786 3.908 20 30 EHEDHM Fc1ccc([C@@H]2CCCC2N=Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737650412 599033277 /nfs/dbraw/zinc/03/32/77/599033277.db2.gz OVIWTGRNBZGFJE-INIZCTEOSA-N -1 3 336.374 3.741 20 30 EHEDHM Fc1ccc([C@@H]2CCCC2N=Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737650412 599033279 /nfs/dbraw/zinc/03/32/79/599033279.db2.gz OVIWTGRNBZGFJE-INIZCTEOSA-N -1 3 336.374 3.741 20 30 EHEDHM CCCc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000736497873 599152009 /nfs/dbraw/zinc/15/20/09/599152009.db2.gz UBSDOJSROTXXOX-YRNVUSSQSA-N -1 3 348.406 3.724 20 30 EHEDHM CCCc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000736497873 599152011 /nfs/dbraw/zinc/15/20/11/599152011.db2.gz UBSDOJSROTXXOX-YRNVUSSQSA-N -1 3 348.406 3.724 20 30 EHEDHM C=CC[C@@H](C)C(C)N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000735409688 598511543 /nfs/dbraw/zinc/51/15/43/598511543.db2.gz IRYBVPMQVIHKPX-SECBINFHSA-N -1 3 338.337 3.886 20 30 EHEDHM C=CC[C@@H](C)C(C)N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000735409688 598511544 /nfs/dbraw/zinc/51/15/44/598511544.db2.gz IRYBVPMQVIHKPX-SECBINFHSA-N -1 3 338.337 3.886 20 30 EHEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCCC(C)(C)C ZINC000735420987 598736830 /nfs/dbraw/zinc/73/68/30/598736830.db2.gz WJARBUMFVWOPKX-UHFFFAOYSA-N -1 3 341.459 3.598 20 30 EHEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCCC(C)(C)C ZINC000735420987 598736831 /nfs/dbraw/zinc/73/68/31/598736831.db2.gz WJARBUMFVWOPKX-UHFFFAOYSA-N -1 3 341.459 3.598 20 30 EHEDHM CCN(CC)c1ccc(/C=[NH+]/[C@@H](CC(=O)[O-])c2ccccc2)c([O-])c1 ZINC000737088429 600494450 /nfs/dbraw/zinc/49/44/50/600494450.db2.gz MADFEMDRCWTDBB-SXZORUHJSA-N -1 3 340.423 3.873 20 30 EHEDHM COc1ccc2cc(CN[C@@H](C(=O)[O-])c3ccc(C#N)cc3)ccc2c1 ZINC000738078363 600592460 /nfs/dbraw/zinc/59/24/60/600592460.db2.gz DJAJFEXRDYCBGU-HXUWFJFHSA-N -1 3 346.386 3.636 20 30 EHEDHM CC(C)Oc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736491100 600594199 /nfs/dbraw/zinc/59/41/99/600594199.db2.gz JJJHPPXRRHAUDX-KUHUBIRLSA-N -1 3 338.407 3.822 20 30 EHEDHM CCc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000821476659 607457695 /nfs/dbraw/zinc/45/76/95/607457695.db2.gz QRROROPNHKOAQG-FNORWQNLSA-N -1 3 328.372 3.526 20 30 EHEDHM CCc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000821476659 607457696 /nfs/dbraw/zinc/45/76/96/607457696.db2.gz QRROROPNHKOAQG-FNORWQNLSA-N -1 3 328.372 3.526 20 30 EHEDHM C=CCCC(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819734486 606360544 /nfs/dbraw/zinc/36/05/44/606360544.db2.gz PDPPBOKMVSPAFC-UHFFFAOYSA-N -1 3 336.351 3.531 20 30 EHEDHM C=CCCC(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819734486 606360546 /nfs/dbraw/zinc/36/05/46/606360546.db2.gz PDPPBOKMVSPAFC-UHFFFAOYSA-N -1 3 336.351 3.531 20 30 EHEDHM Cc1c2ccccc2oc1C(=O)C=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822014854 606389381 /nfs/dbraw/zinc/38/93/81/606389381.db2.gz ACLGKKFSKAFSOI-SOFGYWHQSA-N -1 3 336.376 3.879 20 30 EHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc2c(c1)CCCC2 ZINC000822923294 606390016 /nfs/dbraw/zinc/39/00/16/606390016.db2.gz PONTTZMXGAJKKL-CLFYSBASSA-N -1 3 336.420 3.703 20 30 EHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc2ccccc2c1 ZINC000826401596 607883869 /nfs/dbraw/zinc/88/38/69/607883869.db2.gz CCDGIGOTZNNHNT-QXMHVHEDSA-N -1 3 326.359 3.916 20 30 EHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc2ccccc2c1 ZINC000826401596 607883870 /nfs/dbraw/zinc/88/38/70/607883870.db2.gz CCDGIGOTZNNHNT-QXMHVHEDSA-N -1 3 326.359 3.916 20 30 EHEDHM C=C[C@H](CC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823882784 607989377 /nfs/dbraw/zinc/98/93/77/607989377.db2.gz DDDHSQDNMQYDGB-HUUCEWRRSA-N -1 3 348.406 3.831 20 30 EHEDHM C=C[C@H](CC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823882784 607989378 /nfs/dbraw/zinc/98/93/78/607989378.db2.gz DDDHSQDNMQYDGB-HUUCEWRRSA-N -1 3 348.406 3.831 20 30 EHEDHM N#Cc1c(Cl)cccc1SCc1ccccc1-c1nnn[n-]1 ZINC000826383248 608206308 /nfs/dbraw/zinc/20/63/08/608206308.db2.gz RJKDTVPZIXZFKV-UHFFFAOYSA-N -1 3 327.800 3.684 20 30 EHEDHM N#Cc1c(Cl)cccc1SCc1ccccc1-c1nn[n-]n1 ZINC000826383248 608206310 /nfs/dbraw/zinc/20/63/10/608206310.db2.gz RJKDTVPZIXZFKV-UHFFFAOYSA-N -1 3 327.800 3.684 20 30 EHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(Cl)c(F)c1 ZINC000826402455 608229425 /nfs/dbraw/zinc/22/94/25/608229425.db2.gz VCSKHQZTOZLJCM-VURMDHGXSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000826402455 608229427 /nfs/dbraw/zinc/22/94/27/608229427.db2.gz VCSKHQZTOZLJCM-VURMDHGXSA-N -1 3 328.734 3.555 20 30 EHEDHM CC(=NNc1ccc(Cl)c(F)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823958420 609161065 /nfs/dbraw/zinc/16/10/65/609161065.db2.gz MZTASZOWMKHFEG-UHFFFAOYSA-N -1 3 348.744 3.634 20 30 EHEDHM CC(=NNc1ccc(Cl)c(F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823958420 609161068 /nfs/dbraw/zinc/16/10/68/609161068.db2.gz MZTASZOWMKHFEG-UHFFFAOYSA-N -1 3 348.744 3.634 20 30 EHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(F)c1F ZINC000823958569 609471355 /nfs/dbraw/zinc/47/13/55/609471355.db2.gz RAHUHNHFWIAHAH-UHFFFAOYSA-N -1 3 348.744 3.634 20 30 EHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(F)c1F ZINC000823958569 609471356 /nfs/dbraw/zinc/47/13/56/609471356.db2.gz RAHUHNHFWIAHAH-UHFFFAOYSA-N -1 3 348.744 3.634 20 30 EHEDHM CC(C)C[C@H](C)CC(C)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824392419 609519041 /nfs/dbraw/zinc/51/90/41/609519041.db2.gz NVENROOBLURDDA-JTQLQIEISA-N -1 3 335.843 3.775 20 30 EHEDHM CC(C)C[C@H](C)CC(C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824392419 609519044 /nfs/dbraw/zinc/51/90/44/609519044.db2.gz NVENROOBLURDDA-JTQLQIEISA-N -1 3 335.843 3.775 20 30 EHEDHM CCc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)s1 ZINC000825704248 947293967 /nfs/dbraw/zinc/29/39/67/947293967.db2.gz FFIUIVRTZLBCSF-SOFGYWHQSA-N -1 3 328.372 3.526 20 30 EHEDHM CCc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)s1 ZINC000825704248 947293979 /nfs/dbraw/zinc/29/39/79/947293979.db2.gz FFIUIVRTZLBCSF-SOFGYWHQSA-N -1 3 328.372 3.526 20 30 EHEDHM C=CCC1(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)CCCC1 ZINC001573329294 947417845 /nfs/dbraw/zinc/41/78/45/947417845.db2.gz GYVZLANEWHWJBQ-UHFFFAOYSA-N -1 3 331.807 3.595 20 30 EHEDHM C=CCC1(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)CCCC1 ZINC001573329294 947417851 /nfs/dbraw/zinc/41/78/51/947417851.db2.gz GYVZLANEWHWJBQ-UHFFFAOYSA-N -1 3 331.807 3.595 20 30 EHEDHM O=C(C=Cc1ccc(Cl)s1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400604 948217838 /nfs/dbraw/zinc/21/78/38/948217838.db2.gz CDCNAAWRTVRRCK-DJWKRKHSSA-N -1 3 334.763 3.617 20 30 EHEDHM O=C(C=Cc1ccc(Cl)s1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400604 948217844 /nfs/dbraw/zinc/21/78/44/948217844.db2.gz CDCNAAWRTVRRCK-DJWKRKHSSA-N -1 3 334.763 3.617 20 30 EHEDHM CC(C)(C#N)c1ccccc1CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001588607620 959491293 /nfs/dbraw/zinc/49/12/93/959491293.db2.gz NOKIVPYWYQUSOC-SFHVURJKSA-N -1 3 334.419 3.672 20 30 EHEDHM CCCCCCCC[C@@H](C)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001625779617 1014336000 /nfs/dbraw/zinc/33/60/00/1014336000.db2.gz PEBGOKXMAHZGHX-LLVKDONJSA-N -1 3 334.386 3.826 20 30 EHEDHM COCc1ncsc1C(=O)[N-]c1ccccc1S[C@@H](C)CC#N ZINC000339935124 1015989580 /nfs/dbraw/zinc/98/95/80/1015989580.db2.gz MJSBBUDIWMUHSI-NSHDSACASA-N -1 3 347.465 3.936 20 30 EHEDHM Cc1nocc1C(=O)[N-]c1sc2c(c1C#N)CC[C@H](C(C)C)C2 ZINC000602341221 1032813543 /nfs/dbraw/zinc/81/35/43/1032813543.db2.gz JRHCRTPMJZXYRC-NSHDSACASA-N -1 3 329.425 3.929 20 30 EHEDHM CSc1nc(C2CC2)cc(C(=O)Nc2cc(C)ccc2[O-])c1C#N ZINC000436816070 1021259146 /nfs/dbraw/zinc/25/91/46/1021259146.db2.gz ZHLZXWHGJGEJNF-UHFFFAOYSA-N -1 3 339.420 3.819 20 30 EHEDHM Cc1csc(C(C#N)=C([O-])c2ccc(O[C@H]3CC3(F)F)cc2)n1 ZINC000528906034 1033049052 /nfs/dbraw/zinc/04/90/52/1033049052.db2.gz CSDTZBROSFSXON-STQMWFEESA-N -1 3 334.347 3.728 20 30 EHEDHM CO[C@@H](C)C(=O)Nc1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000255394810 1022564741 /nfs/dbraw/zinc/56/47/41/1022564741.db2.gz SVRDXNFCCPLRBN-NSHDSACASA-N -1 3 332.787 3.770 20 30 EHEDHM CC(C)(C#N)c1ccc(CN[C@H](C(=O)[O-])c2cccc(F)c2)cc1 ZINC000593947366 1033087004 /nfs/dbraw/zinc/08/70/04/1033087004.db2.gz ISUIQLRKDJNZSH-KRWDZBQOSA-N -1 3 326.371 3.542 20 30 EHEDHM C[C@H](c1cccc(C#N)c1)N(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000425103248 1024186247 /nfs/dbraw/zinc/18/62/47/1024186247.db2.gz AUJVWSKEKBDDCN-CQSZACIVSA-N -1 3 340.398 3.945 20 30 EHEDHM C[C@H](C(=O)[N-][C@H](C#N)c1c(Cl)cccc1Cl)C(F)(F)F ZINC000505540823 1024447848 /nfs/dbraw/zinc/44/78/48/1024447848.db2.gz RZKLKSBWRJQDTC-HZGVNTEJSA-N -1 3 325.117 3.873 20 30 EHEDHM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)ccc1F ZINC000435142269 1024657438 /nfs/dbraw/zinc/65/74/38/1024657438.db2.gz URWLZRKSXBJNJD-UHFFFAOYSA-N -1 3 348.399 3.594 20 30 EHEDHM C=CCCCS(=O)(=O)[N-]c1ccc(Oc2ccc(F)cc2)cn1 ZINC000427781663 1024790851 /nfs/dbraw/zinc/79/08/51/1024790851.db2.gz LMQYDRVHTGBEEP-UHFFFAOYSA-N -1 3 336.388 3.721 20 30 EHEDHM Cc1oc(C#N)cc1C(=O)[N-]c1nnc(-c2cc(C)cc(C)c2)s1 ZINC000435462927 1024935003 /nfs/dbraw/zinc/93/50/03/1024935003.db2.gz JCGWZNMHTSKGFR-UHFFFAOYSA-N -1 3 338.392 3.847 20 30 EHEDHM [O-]c1ccc(Cl)cc1/C=N/[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000158180997 1026082534 /nfs/dbraw/zinc/08/25/34/1026082534.db2.gz WZWPYUHJAZTGJI-PCQWDSEFSA-N -1 3 336.222 3.792 20 30 EHEDHM CCCc1noc2nc(C3CC3)cc(C([O-])=C(C#N)c3ccccn3)c12 ZINC000194679934 1028533455 /nfs/dbraw/zinc/53/34/55/1028533455.db2.gz KKLFEYPEDRLMKE-AWEZNQCLSA-N -1 3 346.390 3.938 20 30 EHEDHM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000074352288 1028608488 /nfs/dbraw/zinc/60/84/88/1028608488.db2.gz ORMYNMJGPUGUBC-SECBINFHSA-N -1 3 332.747 3.774 20 30 EHEDHM N#CC1(C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)CCCC1 ZINC000446362831 1029605276 /nfs/dbraw/zinc/60/52/76/1029605276.db2.gz KUVVLGQTSIKMHQ-UHFFFAOYSA-N -1 3 349.221 3.828 20 30 EHEDHM N#CCc1ccnc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])c1 ZINC000531928185 1030082168 /nfs/dbraw/zinc/08/21/68/1030082168.db2.gz DQBHFLSJSLWMHD-UHFFFAOYSA-N -1 3 343.386 3.696 20 30 EHEDHM COc1cc(C(=O)/C=C/c2cc(O)ccc2Br)ccc1[O-] ZINC000178987799 1030933322 /nfs/dbraw/zinc/93/33/22/1030933322.db2.gz GNNFRKMPIRFWJO-QHHAFSJGSA-N -1 3 349.180 3.765 20 30 EHEDHM CCOc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1OC ZINC000647372181 1034059889 /nfs/dbraw/zinc/05/98/89/1034059889.db2.gz GUYAQIXMUCKXOF-CYBMUJFWSA-N -1 3 342.420 3.918 20 30 EHEDHM CCc1cc(=O)[n-]c(-c2ccc(NCC3(C#N)CCCCC3)nc2)n1 ZINC000596498938 1034284471 /nfs/dbraw/zinc/28/44/71/1034284471.db2.gz GZVSJZYRKWFBGR-UHFFFAOYSA-N -1 3 337.427 3.693 20 30 EHEDHM N#CC(=C([O-])c1cnc(-c2ccccc2)nc1)c1nc2ccccc2[nH]1 ZINC000159661495 1034793720 /nfs/dbraw/zinc/79/37/20/1034793720.db2.gz SDXHUGYWWXEFSQ-OAHLLOKOSA-N -1 3 339.358 3.510 20 30 EHEDHM C[C@@H](/N=C\c1cc(Cl)ccc1[O-])c1cn(-c2ccccc2)nn1 ZINC000760211096 1035549347 /nfs/dbraw/zinc/54/93/47/1035549347.db2.gz FHSFJACXBBQTPN-FGHSJCFPSA-N -1 3 326.787 3.806 20 30 EHEDHM COc1cc(C(=O)/C=C/c2ccc(F)c(C#N)c2Cl)ccc1[O-] ZINC000761478305 1036166926 /nfs/dbraw/zinc/16/69/26/1036166926.db2.gz PGMBYGSTMHJIGL-ZZXKWVIFSA-N -1 3 331.730 3.961 20 30 EHEDHM C[C@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000590421182 1036871015 /nfs/dbraw/zinc/87/10/15/1036871015.db2.gz YSUIYZUAPMLFIZ-JTQLQIEISA-N -1 3 334.297 3.774 20 30 EHEDHM Cc1csc(C(C#N)=C([O-])c2ccc(-n3nc(C)cc3C)cc2)n1 ZINC000041520528 1038114767 /nfs/dbraw/zinc/11/47/67/1038114767.db2.gz QFOPFKGWQBNGOQ-MRXNPFEDSA-N -1 3 336.420 3.744 20 30 EHEDHM CC(C)N(CCC#N)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000538740964 1038504204 /nfs/dbraw/zinc/50/42/04/1038504204.db2.gz MHDXDBOGMWZENM-UHFFFAOYSA-N -1 3 336.435 3.942 20 30 EHEDHM C[C@H]1CCCc2ncc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)n21 ZINC000651360554 1038508292 /nfs/dbraw/zinc/50/82/92/1038508292.db2.gz FXCHAXWWQVHKGL-JQWIXIFHSA-N -1 3 348.328 3.684 20 30 EHEDHM C[C@H](C#N)CSc1ccccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC000417015201 1039323192 /nfs/dbraw/zinc/32/31/92/1039323192.db2.gz FELHRRKEEGAQFN-GFCCVEGCSA-N -1 3 340.452 3.923 20 30 EHEDHM CCN(CC)c1ccc(Cl)cc1N=Cc1c([O-])c(C)ncc1CO ZINC000783257794 1041085945 /nfs/dbraw/zinc/08/59/45/1041085945.db2.gz BALOGTHWDZFILQ-UHFFFAOYSA-N -1 3 347.846 3.838 20 30 EHEDHM N#CC(=C([O-])c1c[nH]nc1-c1cc2ccccc2o1)c1ccccn1 ZINC000187242278 1043924420 /nfs/dbraw/zinc/92/44/20/1043924420.db2.gz ACSRMAYFAZAMCG-CYBMUJFWSA-N -1 3 328.331 3.708 20 30 EHEDHM CCC(N=Nc1nc2ccccc2c(=O)[n-]1)c1ccc2c(c1)CCCO2 ZINC000765581513 1127683687 /nfs/dbraw/zinc/68/36/87/1127683687.db2.gz RSSIJGRTHKZGHZ-UHFFFAOYSA-N -1 3 348.406 3.887 20 30 EHEDHM CC[C@@H](C)[C@@H]1CCCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000265656124 1127922701 /nfs/dbraw/zinc/92/27/01/1127922701.db2.gz YPKLJGJIUYCWQU-ACJLOTCBSA-N -1 3 343.471 3.636 20 30 EHEDHM CC(=O)N(CC(=O)N([O-])Cc1cccc2ccccc21)c1ccccc1 ZINC001649070338 1128138114 /nfs/dbraw/zinc/13/81/14/1128138114.db2.gz WWMHCEICJWSWTH-UHFFFAOYSA-N -1 3 348.402 3.611 20 30 EHEDHM COc1cc(C=CC(=O)c2c[nH]c3ncccc23)cc(Cl)c1[O-] ZINC000761812196 1120957352 /nfs/dbraw/zinc/95/73/52/1120957352.db2.gz IYPXOJCUELHLTI-PLNGDYQASA-N -1 3 328.755 3.827 20 30 EHEDHM CC(C)c1nnsc1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001649025882 1121850949 /nfs/dbraw/zinc/85/09/49/1121850949.db2.gz FQXRZYQDMCWHCS-UHFFFAOYSA-N -1 3 346.239 4.000 20 30 EHEDHM Cc1ncc(CO)c(/C=N/[C@H](C)c2ccc(OC(C)C)cc2)c1[O-] ZINC000915981769 1122007463 /nfs/dbraw/zinc/00/74/63/1122007463.db2.gz GTSIYCDQYYTZML-WVISFHDSSA-N -1 3 328.412 3.555 20 30 EHEDHM CCc1cc(=O)[n-]c(-c2cccc(N=Cc3c(O)cccc3OC)c2)n1 ZINC000915982899 1122007666 /nfs/dbraw/zinc/00/76/66/1122007666.db2.gz GZMXXZOUGAFZHI-UHFFFAOYSA-N -1 3 349.390 3.876 20 30 EHEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000089495641 1124818289 /nfs/dbraw/zinc/81/82/89/1124818289.db2.gz YYRXZDAASVWDHL-UHFFFAOYSA-N -1 3 332.828 3.620 20 30 EHEDHM Cc1cc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@H]2C)ccc1-n1cncn1 ZINC000742432594 1131729727 /nfs/dbraw/zinc/72/97/27/1131729727.db2.gz YHRQURFNZMREPQ-ACLQVGRQSA-N -1 3 349.365 3.804 20 30 EHEDHM Cc1ncc(CO)c(/C=N\Cc2ccccc2Oc2ccccc2)c1[O-] ZINC000745011922 1132177128 /nfs/dbraw/zinc/17/71/28/1132177128.db2.gz CBBJXFOHMNRBRY-XKZIYDEJSA-N -1 3 348.402 3.999 20 30 EHEDHM Cc1ncc(CO)c(/C=N/Cc2cccc(Cl)c2Cl)c1[O-] ZINC000745624599 1132283983 /nfs/dbraw/zinc/28/39/83/1132283983.db2.gz LXAXGJJHKLQIFX-CNHKJKLMSA-N -1 3 325.195 3.514 20 30 EHEDHM N#Cc1cc(NC(=O)Cc2ccccc2-c2cccnc2)ccc1[O-] ZINC001177974466 1133125212 /nfs/dbraw/zinc/12/52/12/1133125212.db2.gz OOUBLNWKWHDDQO-UHFFFAOYSA-N -1 3 329.359 3.507 20 30 EHEDHM CC(C)([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC001182891536 1133745114 /nfs/dbraw/zinc/74/51/14/1133745114.db2.gz YZPFQFHALHEPRH-UHFFFAOYSA-N -1 3 332.325 3.841 20 30 EHEDHM CCCCCCN([O-])C(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1 ZINC001184305561 1133920162 /nfs/dbraw/zinc/92/01/62/1133920162.db2.gz LUPHCLUDQRDBHA-INIZCTEOSA-N -1 3 340.851 3.705 20 30 EHEDHM CCc1ccc(C(=O)NCc2cccc(O[C@H](C#N)CC)c2)c([O-])c1 ZINC000786980972 1133936236 /nfs/dbraw/zinc/93/62/36/1133936236.db2.gz IRKXMPBPYZDSBM-INIZCTEOSA-N -1 3 338.407 3.566 20 30 EHEDHM COc1ccc2nc(/C=C\C(=O)c3ccc([O-])c(OC)c3)sc2c1 ZINC000788731803 1134167185 /nfs/dbraw/zinc/16/71/85/1134167185.db2.gz JSPLHEVRWKLUND-FPLPWBNLSA-N -1 3 341.388 3.915 20 30 EHEDHM C=C(C)[C@H]([N-]C(=O)C(F)(F)C1CCOCC1)c1ccc(F)c(F)c1 ZINC000790910253 1134482283 /nfs/dbraw/zinc/48/22/83/1134482283.db2.gz YFYBEJGVMMVPQL-HNNXBMFYSA-N -1 3 345.336 3.760 20 30 EHEDHM COc1cc(C(=O)/C=C\c2cncc3ccccc23)c(OC)cc1[O-] ZINC000772802548 1134708628 /nfs/dbraw/zinc/70/86/28/1134708628.db2.gz RINKTVDANWAAQH-FPLPWBNLSA-N -1 3 335.359 3.854 20 30 EHEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC001190663777 1134727893 /nfs/dbraw/zinc/72/78/93/1134727893.db2.gz NZPKJKWQKQAZLV-UHFFFAOYSA-N -1 3 336.482 3.691 20 30 EHEDHM CCCCc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(C#N)c2)cc1 ZINC001191249455 1134823500 /nfs/dbraw/zinc/82/35/00/1134823500.db2.gz VGDAGPLMGQTJES-UHFFFAOYSA-N -1 3 344.436 3.710 20 30 EHEDHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cccc(C#Cc2cccs2)c1 ZINC000775473333 1134902916 /nfs/dbraw/zinc/90/29/16/1134902916.db2.gz RLJQXPATHFRTGW-QGZVFWFLSA-N -1 3 342.420 3.728 20 30 EHEDHM O=C([N-]O[C@@H]1CCCCO1)Nc1cccc(C#Cc2cccs2)c1 ZINC000775473333 1134902924 /nfs/dbraw/zinc/90/29/24/1134902924.db2.gz RLJQXPATHFRTGW-QGZVFWFLSA-N -1 3 342.420 3.728 20 30 EHEDHM N#Cc1ccc(C(F)(F)F)cc1[N-]C(=S)NC(=O)c1ccccc1 ZINC001195415602 1135420838 /nfs/dbraw/zinc/42/08/38/1135420838.db2.gz LMXONHUUVDYMKC-UHFFFAOYSA-N -1 3 349.337 3.704 20 30 EHEDHM Cc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)c1Cl ZINC001196689963 1135601983 /nfs/dbraw/zinc/60/19/83/1135601983.db2.gz DCYFIYBPTAXODN-UHFFFAOYSA-N -1 3 341.219 3.974 20 30 EHEDHM N#Cc1oc2ccccc2c1[N-]C(=O)c1ccncc1OC(F)(F)F ZINC001198247923 1135792256 /nfs/dbraw/zinc/79/22/56/1135792256.db2.gz XLUUVUGVEVORQQ-UHFFFAOYSA-N -1 3 347.252 3.850 20 30 EHEDHM Cc1ncc(CO)c(/C=N\[C@H](c2ccc(Cl)cc2)C2CC2)c1[O-] ZINC000747713319 1136083792 /nfs/dbraw/zinc/08/37/92/1136083792.db2.gz SDQUIAOPPYMRHG-INLLTYMYSA-N -1 3 330.815 3.812 20 30 EHEDHM Cc1ncc(CO)c(/C=N\[C@H](C)c2cccc(C(F)(F)F)c2)c1[O-] ZINC000747713425 1136084049 /nfs/dbraw/zinc/08/40/49/1136084049.db2.gz XKHISWHUZBKTGH-WAYGTWCKSA-N -1 3 338.329 3.787 20 30 EHEDHM N#CC(=C([O-])c1ccnc(Cl)c1)c1cc(C(F)(F)F)ccn1 ZINC000813214261 1136303601 /nfs/dbraw/zinc/30/36/01/1136303601.db2.gz QDQHWEYVHWKQNM-JTQLQIEISA-N -1 3 325.677 3.639 20 30 EHEDHM C[C@@H]([N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)c1cccc(C#N)c1 ZINC001133725918 1136321507 /nfs/dbraw/zinc/32/15/07/1136321507.db2.gz ZZNDVISLZFPDMQ-SNVBAGLBSA-N -1 3 336.288 3.806 20 30 EHEDHM C=CC[C@H]1CCCC[C@@H]1OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000851142767 1136341959 /nfs/dbraw/zinc/34/19/59/1136341959.db2.gz XUNAFGNDRRITEG-YJBOKZPZSA-N -1 3 342.439 3.886 20 30 EHEDHM C=CCC(F)(F)C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000815314465 1136580930 /nfs/dbraw/zinc/58/09/30/1136580930.db2.gz UHAVAWNFSNTTIV-MRVPVSSYSA-N -1 3 342.367 3.829 20 30 EHEDHM C=CCCO[N-]C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000856034739 1136750762 /nfs/dbraw/zinc/75/07/62/1136750762.db2.gz TUKFPCMMRWVFOX-UHFFFAOYSA-N -1 3 330.211 3.970 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H]1CCCCC1(C)C ZINC000861299270 1137100484 /nfs/dbraw/zinc/10/04/84/1137100484.db2.gz OKGLEAVIXZEAEX-INIZCTEOSA-N -1 3 330.428 3.720 20 30 EHEDHM CC(C)C(Cn1cccn1)N=Nc1nc2ccccc2[n-]c1=S ZINC000863124786 1137170938 /nfs/dbraw/zinc/17/09/38/1137170938.db2.gz CZDNQKLDOFSWLJ-UHFFFAOYSA-N -1 3 326.429 3.613 20 30 EHEDHM CCOC(=O)C1CCC(N=Nc2nc3ccccc3[n-]c2=S)CC1 ZINC000863128322 1137170946 /nfs/dbraw/zinc/17/09/46/1137170946.db2.gz KBIOSWSPEZQCGU-UHFFFAOYSA-N -1 3 344.440 3.814 20 30 EHEDHM CCO[C@@H]1CC(N=Nc2nc3ccccc3[n-]c2=S)[C@@H]1SC ZINC000863125330 1137170966 /nfs/dbraw/zinc/17/09/66/1137170966.db2.gz SZZZPRPUJIFGHL-OLZOCXBDSA-N -1 3 334.470 3.601 20 30 EHEDHM CC(C)OC(=O)CC[C@H](C)/N=C/c1cc(Br)ccc1[O-] ZINC000794831465 1137268382 /nfs/dbraw/zinc/26/83/82/1137268382.db2.gz BCCBBTRRTZLVAG-DTQASYIRSA-N -1 3 342.233 3.694 20 30 EHEDHM CC1CCC(OCC(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)CC1 ZINC000845845888 1137314531 /nfs/dbraw/zinc/31/45/31/1137314531.db2.gz PUJIVNONTGJXAJ-VJFUWPCTSA-N -1 3 339.435 3.591 20 30 EHEDHM N#CC(C(=O)Cc1cccc(F)c1F)=C([O-])C1(c2ccccc2)CC1 ZINC000845840574 1137315193 /nfs/dbraw/zinc/31/51/93/1137315193.db2.gz FEMVEZNOXOKAJN-OAHLLOKOSA-N -1 3 339.341 3.517 20 30 EHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])Cc1cccc(F)c1F ZINC000845840574 1137315195 /nfs/dbraw/zinc/31/51/95/1137315195.db2.gz FEMVEZNOXOKAJN-OAHLLOKOSA-N -1 3 339.341 3.517 20 30 EHEDHM C=CCCCCCCCCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001144798209 1137349386 /nfs/dbraw/zinc/34/93/86/1137349386.db2.gz GKBXXBBHHDQZFG-UHFFFAOYSA-N -1 3 341.459 3.790 20 30 EHEDHM C=CCCCCCCCCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001144798209 1137349388 /nfs/dbraw/zinc/34/93/88/1137349388.db2.gz GKBXXBBHHDQZFG-UHFFFAOYSA-N -1 3 341.459 3.790 20 30 EHEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2coc(-c3ccccc3)n2)c1 ZINC000121685561 1137382038 /nfs/dbraw/zinc/38/20/38/1137382038.db2.gz 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598663727 /nfs/dbraw/zinc/66/37/27/598663727.db2.gz DODMITZWMWQJDW-UHFFFAOYSA-N -1 3 330.436 3.731 20 30 EHEDHM CC(C)(C(=O)[O-])[C@H](NCc1ccc(C#N)cc1F)c1ccccc1 ZINC000833414476 605178551 /nfs/dbraw/zinc/17/85/51/605178551.db2.gz NYCJCTXFYBPXNQ-QGZVFWFLSA-N -1 3 326.371 3.639 20 30 EHEDHM Cc1[nH]c2ccccc2c1C(=O)C=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822009951 606305766 /nfs/dbraw/zinc/30/57/66/606305766.db2.gz HZYOWKAWJHJYGG-VOTSOKGWSA-N -1 3 335.392 3.614 20 30 EHEDHM Cc1[nH]c2ccccc2c1C(=O)C=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822009951 606305769 /nfs/dbraw/zinc/30/57/69/606305769.db2.gz HZYOWKAWJHJYGG-VOTSOKGWSA-N -1 3 335.392 3.614 20 30 EHEDHM O=C(C=Cc1cc2ccccc2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000822923307 606931686 /nfs/dbraw/zinc/93/16/86/606931686.db2.gz PPYUZSVYUKPYLT-MDZDMXLPSA-N -1 3 332.388 3.978 20 30 EHEDHM O=C(C=Cc1cc2ccccc2s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000822923307 606931687 /nfs/dbraw/zinc/93/16/87/606931687.db2.gz PPYUZSVYUKPYLT-MDZDMXLPSA-N -1 3 332.388 3.978 20 30 EHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000826400576 607916179 /nfs/dbraw/zinc/91/61/79/607916179.db2.gz BQLGAQHTAMBUMO-KRXBUXKQSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000826400576 607916178 /nfs/dbraw/zinc/91/61/78/607916178.db2.gz BQLGAQHTAMBUMO-KRXBUXKQSA-N -1 3 328.734 3.555 20 30 EHEDHM Cc1oc2ccccc2c1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826342209 607982050 /nfs/dbraw/zinc/98/20/50/607982050.db2.gz AXXUEZMESCAMHZ-KHPPLWFESA-N -1 3 330.347 3.817 20 30 EHEDHM Cc1oc2ccccc2c1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826342209 607982051 /nfs/dbraw/zinc/98/20/51/607982051.db2.gz AXXUEZMESCAMHZ-KHPPLWFESA-N -1 3 330.347 3.817 20 30 EHEDHM O=C1c2cccc3c2[C@@H](CCC3)C1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826475835 608109553 /nfs/dbraw/zinc/10/95/53/608109553.db2.gz SKJUCSQPTPECHT-ZCQLHAAUSA-N -1 3 328.375 3.567 20 30 EHEDHM O=C1c2cccc3c2[C@@H](CCC3)C1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826475835 608109554 /nfs/dbraw/zinc/10/95/54/608109554.db2.gz 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ZINC000825184568 608750080 /nfs/dbraw/zinc/75/00/80/608750080.db2.gz WFWWCMOTCGJOKL-VHSXEESVSA-N -1 3 333.827 3.529 20 30 EHEDHM Cc1cc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c(C)s1 ZINC000826256947 608877554 /nfs/dbraw/zinc/87/75/54/608877554.db2.gz HNNNKDMLHPGPGW-GQCTYLIASA-N -1 3 328.372 3.580 20 30 EHEDHM Cc1cc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c(C)s1 ZINC000826256947 608877557 /nfs/dbraw/zinc/87/75/57/608877557.db2.gz HNNNKDMLHPGPGW-GQCTYLIASA-N -1 3 328.372 3.580 20 30 EHEDHM C[C@H]1CC(=Cc2ccc(F)c(-c3nnn[n-]3)c2)C(=O)c2ccccc21 ZINC000824857807 608879342 /nfs/dbraw/zinc/87/93/42/608879342.db2.gz FXXRQQVEWYKNNO-KWJWQAOWSA-N -1 3 334.354 3.779 20 30 EHEDHM C[C@H]1CC(=Cc2ccc(F)c(-c3nn[n-]n3)c2)C(=O)c2ccccc21 ZINC000824857807 608879345 /nfs/dbraw/zinc/87/93/45/608879345.db2.gz FXXRQQVEWYKNNO-KWJWQAOWSA-N -1 3 334.354 3.779 20 30 EHEDHM O=C(C=Cc1ccccc1C1CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826402002 609272863 /nfs/dbraw/zinc/27/28/63/609272863.db2.gz KWKNLYJPCNEZCM-CSKARUKUSA-N -1 3 334.354 3.779 20 30 EHEDHM O=C(C=Cc1ccccc1C1CC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826402002 609272865 /nfs/dbraw/zinc/27/28/65/609272865.db2.gz KWKNLYJPCNEZCM-CSKARUKUSA-N -1 3 334.354 3.779 20 30 EHEDHM CCSc1ccc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825674714 947286768 /nfs/dbraw/zinc/28/67/68/947286768.db2.gz RATKMYBICVBUHF-WDZFZDKYSA-N -1 3 336.420 3.875 20 30 EHEDHM CCSc1ccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825674714 947286775 /nfs/dbraw/zinc/28/67/75/947286775.db2.gz RATKMYBICVBUHF-WDZFZDKYSA-N -1 3 336.420 3.875 20 30 EHEDHM O=C(C=Cc1ccccc1Cl)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826402029 948224690 /nfs/dbraw/zinc/22/46/90/948224690.db2.gz LNNDQIYYURFLAQ-VURMDHGXSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1ccccc1Cl)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826402029 948224698 /nfs/dbraw/zinc/22/46/98/948224698.db2.gz LNNDQIYYURFLAQ-VURMDHGXSA-N -1 3 328.734 3.555 20 30 EHEDHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000187026658 1014803766 /nfs/dbraw/zinc/80/37/66/1014803766.db2.gz 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ZINC000426731655 1023002252 /nfs/dbraw/zinc/00/22/52/1023002252.db2.gz QGZRHCGRUPPJLJ-KRWDZBQOSA-N -1 3 331.799 3.820 20 30 EHEDHM C=CCOc1ccc(CN[C@H](C(=O)[O-])c2cccc(F)c2)cc1Cl ZINC000426768476 1023033521 /nfs/dbraw/zinc/03/35/21/1023033521.db2.gz ZIQINCAQPHCEJH-KRWDZBQOSA-N -1 3 349.789 3.959 20 30 EHEDHM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1 ZINC000551553424 1025371719 /nfs/dbraw/zinc/37/17/19/1025371719.db2.gz ZIRKWBOYCQSISU-UHFFFAOYSA-N -1 3 348.399 3.533 20 30 EHEDHM N#CC(=C([O-])c1ccc(C2CC2)cn1)c1ccc(C(F)(F)F)cn1 ZINC000531783405 1027373347 /nfs/dbraw/zinc/37/33/47/1027373347.db2.gz OYKCKKBAIJPECO-CYBMUJFWSA-N -1 3 331.297 3.863 20 30 EHEDHM Cc1nnc([N-]C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)s1 ZINC000050288496 1027920707 /nfs/dbraw/zinc/92/07/07/1027920707.db2.gz VWKAIKSIPSRYII-UHFFFAOYSA-N -1 3 347.381 3.515 20 30 EHEDHM C=CCC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000533252611 1029529290 /nfs/dbraw/zinc/52/92/90/1029529290.db2.gz PQFULLDYMXKSNH-OAHLLOKOSA-N -1 3 346.408 3.581 20 30 EHEDHM COc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000114621175 1029536015 /nfs/dbraw/zinc/53/60/15/1029536015.db2.gz BZJHSEAMCQPUSM-HNNXBMFYSA-N -1 3 335.388 3.704 20 30 EHEDHM CC#CC[C@H](NCc1c(Cl)cccc1SC(C)C)C(=O)[O-] ZINC000904057666 1031681685 /nfs/dbraw/zinc/68/16/85/1031681685.db2.gz XXZADXLAYHDDME-AWEZNQCLSA-N -1 3 325.861 3.797 20 30 EHEDHM O=C(c1cnc(C2CC2)o1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904178921 1031801417 /nfs/dbraw/zinc/80/14/17/1031801417.db2.gz XQETZUDKEKZQIP-UHFFFAOYSA-N -1 3 327.167 3.890 20 30 EHEDHM O=C(c1cc2n(n1)CCCC2)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904180959 1031802524 /nfs/dbraw/zinc/80/25/24/1031802524.db2.gz OZNTZOHSQDPEBN-UHFFFAOYSA-N -1 3 340.210 3.558 20 30 EHEDHM CC(C)c1csc(C(C#N)=C([O-])c2ccc(-n3ccnc3)cc2)n1 ZINC000180781822 1031908614 /nfs/dbraw/zinc/90/86/14/1031908614.db2.gz KGNLXRKLWMODRZ-HNNXBMFYSA-N -1 3 336.420 3.942 20 30 EHEDHM Cc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1Cl ZINC000594168081 1033623852 /nfs/dbraw/zinc/62/38/52/1033623852.db2.gz GGBFYSJARSLQKF-UHFFFAOYSA-N -1 3 343.814 3.809 20 30 EHEDHM COc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1OC ZINC000647371051 1034055693 /nfs/dbraw/zinc/05/56/93/1034055693.db2.gz JDMASZIHRDWXIE-LBPRGKRZSA-N -1 3 328.393 3.528 20 30 EHEDHM O=C(Nc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1)[C@H]1CCCO1 ZINC000255883332 1035406115 /nfs/dbraw/zinc/40/61/15/1035406115.db2.gz QSGABKKHIVOVEZ-QGZVFWFLSA-N -1 3 344.798 3.914 20 30 EHEDHM Cc1csc(C(C#N)=C([O-])c2ccc(N3CCCCC3)cc2)n1 ZINC000180774109 1037171934 /nfs/dbraw/zinc/17/19/34/1037171934.db2.gz KLSNQOYFHSOQRG-MRXNPFEDSA-N -1 3 325.437 3.932 20 30 EHEDHM CCc1csc([C@H](C)[N-]C(=O)C(F)(F)c2ccccc2C#N)n1 ZINC000910742544 1039071466 /nfs/dbraw/zinc/07/14/66/1039071466.db2.gz HNWRULTVPUZLRV-JTQLQIEISA-N -1 3 335.379 3.546 20 30 EHEDHM COc1cnc(F)c(C(=O)[N-]c2sc3c(c2C#N)C(C)(C)CC3)c1 ZINC000906264409 1039446345 /nfs/dbraw/zinc/44/63/45/1039446345.db2.gz IOIWWXNAFGVSSL-UHFFFAOYSA-N -1 3 345.399 3.639 20 30 EHEDHM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000479161339 1040007486 /nfs/dbraw/zinc/00/74/86/1040007486.db2.gz QFXKSNQRCMNWTJ-IINYFYTJSA-N -1 3 347.267 3.744 20 30 EHEDHM Cc1csc(C(C#N)=C([O-])c2ccc(N3CCCCCC3)nc2)n1 ZINC000193267872 1127414370 /nfs/dbraw/zinc/41/43/70/1127414370.db2.gz QJVCMBJJYQXJKF-OAHLLOKOSA-N -1 3 340.452 3.717 20 30 EHEDHM COc1cc(C(=O)/C=C/c2cc3ccccc3nc2OC)ccc1[O-] ZINC000764107353 1127445328 /nfs/dbraw/zinc/44/53/28/1127445328.db2.gz LYUPJSGRFSTRMA-CMDGGOBGSA-N -1 3 335.359 3.854 20 30 EHEDHM CCOc1cc(C=NNCCc2ccccc2F)cc(Cl)c1[O-] ZINC000764723568 1127526567 /nfs/dbraw/zinc/52/65/67/1127526567.db2.gz PVBCOLUMKPYOHQ-UHFFFAOYSA-N -1 3 336.794 3.750 20 30 EHEDHM C=CCOc1ccc(/C=C\C(=O)c2ccc([O-])c(OC)c2)cc1OC ZINC000213713440 1127739019 /nfs/dbraw/zinc/73/90/19/1127739019.db2.gz SEXDSAZWNHBDGF-YVMONPNESA-N -1 3 340.375 3.870 20 30 EHEDHM [O-]c1cccc(/C=N/c2ccc(OCC3CCOCC3)cc2)c1O ZINC000265565411 1127747370 /nfs/dbraw/zinc/74/73/70/1127747370.db2.gz ZJFNYEXSKAVKDM-UDWIEESQSA-N -1 3 327.380 3.654 20 30 EHEDHM C[C@H](OCc1ccc(F)cc1)C(=O)N([O-])CCCCc1ccccc1 ZINC001649051927 1128024948 /nfs/dbraw/zinc/02/49/48/1128024948.db2.gz LIRWPRFUZYWKEZ-INIZCTEOSA-N -1 3 345.414 3.972 20 30 EHEDHM CCN(c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1)C(C)C ZINC000916108706 1122053318 /nfs/dbraw/zinc/05/33/18/1122053318.db2.gz QWVZTEGQGZXJSI-UHFFFAOYSA-N -1 3 343.452 3.594 20 30 EHEDHM C=CCN1C(=O)C(=N[N-]c2ncc(Cl)cc2Cl)c2ccccc21 ZINC000916317368 1122126991 /nfs/dbraw/zinc/12/69/91/1122126991.db2.gz LTFQCYZTDSOXBD-UHFFFAOYSA-N -1 3 347.205 3.737 20 30 EHEDHM Cc1oc(-c2ccccc2)nc1C([O-])=C(C#N)C(=O)Nc1ccccc1 ZINC000916898693 1122382236 /nfs/dbraw/zinc/38/22/36/1122382236.db2.gz GYXQYEPOQPGJOF-MRXNPFEDSA-N -1 3 345.358 3.611 20 30 EHEDHM Cc1ncc(CO)c(/C=N\Cc2ccccc2OC2CCCC2)c1[O-] ZINC000917556827 1122636761 /nfs/dbraw/zinc/63/67/61/1122636761.db2.gz NSAQOWMWZAFMJT-MTJSOVHGSA-N -1 3 340.423 3.528 20 30 EHEDHM C=CCCC1(C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)CCCC1 ZINC001212482567 1129089670 /nfs/dbraw/zinc/08/96/70/1129089670.db2.gz GQBDKJHHSPCOFS-UHFFFAOYSA-N -1 3 347.402 3.909 20 30 EHEDHM Cc1ncc(CO)c(/C=N\[C@H](C)c2ccccc2C(F)(F)F)c1[O-] ZINC000920178102 1123326601 /nfs/dbraw/zinc/32/66/01/1123326601.db2.gz OFYSGEUZABBODQ-WAYGTWCKSA-N -1 3 338.329 3.787 20 30 EHEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)c2ccccc2C(F)(F)F)c1[O-] ZINC000920178098 1123326761 /nfs/dbraw/zinc/32/67/61/1123326761.db2.gz OFYSGEUZABBODQ-NDOMIVQYSA-N -1 3 338.329 3.787 20 30 EHEDHM O=C(c1ccccc1OC(F)(F)F)N([O-])Cc1ccc(F)cc1 ZINC000901376621 1123356531 /nfs/dbraw/zinc/35/65/31/1123356531.db2.gz WGIYGXGZTVPVRI-UHFFFAOYSA-N -1 3 329.249 3.756 20 30 EHEDHM Cc1ncc(CO)c(/C=N/CCCc2ccc(C(C)C)cc2)c1[O-] ZINC000734979483 1131297977 /nfs/dbraw/zinc/29/79/77/1131297977.db2.gz QEAHQXXLZCMYQP-CIAFOILYSA-N -1 3 326.440 3.763 20 30 EHEDHM N#Cc1cc2c(nc1[N-]C(=O)c1cc(-c3ccccc3)no1)CCCC2 ZINC000182655568 1125347386 /nfs/dbraw/zinc/34/73/86/1125347386.db2.gz JOHHMGFEDSDJDL-UHFFFAOYSA-N -1 3 344.374 3.739 20 30 EHEDHM N#CC(=C([O-])C=Cc1ccc(Cl)cc1)c1nnc2n1CCCCC2 ZINC000214227669 1129653808 /nfs/dbraw/zinc/65/38/08/1129653808.db2.gz XEWJNWAKPKEGAM-YYRKOSNBSA-N -1 3 340.814 3.548 20 30 EHEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCC[C@@H]1c1ccc(F)cc1 ZINC000741163369 1131581981 /nfs/dbraw/zinc/58/19/81/1131581981.db2.gz RCPIIFUNCBZMJZ-QGZVFWFLSA-N -1 3 346.427 3.569 20 30 EHEDHM Cc1ccc([C@@H]2CCCC2=N[N-]S(=O)(=O)Cc2ccccc2)cc1 ZINC000741839370 1131655484 /nfs/dbraw/zinc/65/54/84/1131655484.db2.gz FCNXWJHZGILHOW-SFHVURJKSA-N -1 3 342.464 3.738 20 30 EHEDHM CC1CCN(C(=O)c2cccc(Nc3cc(C#N)ccc3[O-])c2)CC1 ZINC001174205801 1132284456 /nfs/dbraw/zinc/28/44/56/1132284456.db2.gz QVNKIKMAZRCWSP-UHFFFAOYSA-N -1 3 335.407 3.880 20 30 EHEDHM Cc1cc(-c2ccc(CC(=O)Nc3ccc([O-])c(C#N)c3)cc2)ccn1 ZINC001178380066 1133160893 /nfs/dbraw/zinc/16/08/93/1133160893.db2.gz WUQYCOOZPGQOJW-UHFFFAOYSA-N -1 3 343.386 3.816 20 30 EHEDHM CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1cc([O-])cc(Cl)c1 ZINC001181203082 1133466108 /nfs/dbraw/zinc/46/61/08/1133466108.db2.gz BGWFOBYIEKNQCY-UHFFFAOYSA-N -1 3 330.771 3.713 20 30 EHEDHM CCCCCCN([O-])C(=O)Cc1ccccc1C(=O)OC(C)(C)C ZINC001184315251 1133920951 /nfs/dbraw/zinc/92/09/51/1133920951.db2.gz WJEBMXVJBSOJJM-UHFFFAOYSA-N -1 3 335.444 3.983 20 30 EHEDHM CC(C)n1ncc2cc(C(=O)N([O-])Cc3ccccc3Cl)cnc21 ZINC001184283840 1133923287 /nfs/dbraw/zinc/92/32/87/1133923287.db2.gz SEAWDLSHBKUVQQ-UHFFFAOYSA-N -1 3 344.802 3.697 20 30 EHEDHM O=C(c1ncnc2sccc21)N([O-])CCCCc1ccccc1 ZINC001184293488 1133925389 /nfs/dbraw/zinc/92/53/89/1133925389.db2.gz VLYJUFGRIXMDQT-UHFFFAOYSA-N -1 3 327.409 3.546 20 30 EHEDHM CC(C)c1nnsc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC001184339125 1133928824 /nfs/dbraw/zinc/92/88/24/1133928824.db2.gz CQWLNVSULNQWNF-UHFFFAOYSA-N -1 3 327.409 3.846 20 30 EHEDHM N#C[C@@H]([N-]S(=O)(=O)c1cc2ccccc2s1)c1ccc(F)cc1 ZINC001185473208 1134094713 /nfs/dbraw/zinc/09/47/13/1134094713.db2.gz GWODVVDFXGBVNV-CQSZACIVSA-N -1 3 346.408 3.584 20 30 EHEDHM CCCCCCCCS(=O)(=O)[N-]c1cnc(C#N)c(Cl)c1 ZINC001187994056 1134410569 /nfs/dbraw/zinc/41/05/69/1134410569.db2.gz AZMHNKINMNBESQ-UHFFFAOYSA-N -1 3 329.853 3.709 20 30 EHEDHM C#CCOc1ccccc1[N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000775298357 1134620026 /nfs/dbraw/zinc/62/00/26/1134620026.db2.gz RDBUZYXFSGJMHV-ACCUITESSA-N -1 3 347.823 3.765 20 30 EHEDHM Cc1noc(-c2ccccc2)c1NC(=O)Nc1ccc([O-])cc1C#N ZINC001190374275 1134693332 /nfs/dbraw/zinc/69/33/32/1134693332.db2.gz VZZXXGHZAFFIAA-UHFFFAOYSA-N -1 3 334.335 3.871 20 30 EHEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(F)c2Cl)c1 ZINC001190971434 1134773595 /nfs/dbraw/zinc/77/35/95/1134773595.db2.gz KCSCCNXUSIRHMF-UHFFFAOYSA-N -1 3 345.182 3.805 20 30 EHEDHM C[C@H](CCO)C1(C/N=C/c2cc(Br)ccc2[O-])CCC1 ZINC000775629371 1135348137 /nfs/dbraw/zinc/34/81/37/1135348137.db2.gz FAIQFVKRSOKZLN-SGEFVQMOSA-N -1 3 340.261 3.762 20 30 EHEDHM N#Cc1ccccc1NC(=S)Nc1cc([O-])ccc1Br ZINC001196319275 1135545543 /nfs/dbraw/zinc/54/55/43/1135545543.db2.gz ZOHNJHJIIUGISP-UHFFFAOYSA-N -1 3 348.225 3.835 20 30 EHEDHM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(F)cc2F)cc1C#N ZINC001201316952 1136006832 /nfs/dbraw/zinc/00/68/32/1136006832.db2.gz JIXSOBDVIZSYJL-UHFFFAOYSA-N -1 3 342.754 3.599 20 30 EHEDHM [O-]c1cccc(CN=Nc2ccc(Br)cn2)c1Cl ZINC000814832660 1136512675 /nfs/dbraw/zinc/51/26/75/1136512675.db2.gz TVDJVZUEDSEDNN-UHFFFAOYSA-N -1 3 326.581 3.649 20 30 EHEDHM C=CCCO[N-]C(=O)CCSc1ccccc1Br ZINC000856030827 1136750516 /nfs/dbraw/zinc/75/05/16/1136750516.db2.gz SQWIAHMWDFNYQK-UHFFFAOYSA-N -1 3 330.247 3.555 20 30 EHEDHM CCCCCC(C)=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1 ZINC000818235883 1136867941 /nfs/dbraw/zinc/86/79/41/1136867941.db2.gz VUUBDQHEBUQHDO-OAHLLOKOSA-N -1 3 346.456 3.884 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1CCCCC1(C)C ZINC000861299271 1137100461 /nfs/dbraw/zinc/10/04/61/1137100461.db2.gz OKGLEAVIXZEAEX-MRXNPFEDSA-N -1 3 330.428 3.720 20 30 EHEDHM N#CC(=C([O-])C=CC1CCCCCC1)c1nnc2n1CCCCC2 ZINC000845445289 1137292432 /nfs/dbraw/zinc/29/24/32/1137292432.db2.gz IAHHWYDVNBPGAN-LPQFERQCSA-N -1 3 326.444 3.707 20 30 EHEDHM N#CC(C(=O)Cc1c(F)cccc1F)=C([O-])C1(c2ccccc2)CC1 ZINC000845843302 1137311951 /nfs/dbraw/zinc/31/19/51/1137311951.db2.gz ZRIWXHKYPDGBTD-HNNXBMFYSA-N -1 3 339.341 3.517 20 30 EHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])Cc1c(F)cccc1F ZINC000845843302 1137311953 /nfs/dbraw/zinc/31/19/53/1137311953.db2.gz ZRIWXHKYPDGBTD-HNNXBMFYSA-N -1 3 339.341 3.517 20 30 EHEDHM CCc1cccc(OCC(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)c1 ZINC000845838407 1137314852 /nfs/dbraw/zinc/31/48/52/1137314852.db2.gz WHUSGKIVVZSWMB-LJQANCHMSA-N -1 3 347.414 3.638 20 30 EHEDHM C=CCOc1ccccc1[C@@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC001144633325 1137321313 /nfs/dbraw/zinc/32/13/13/1137321313.db2.gz PZACPYZYKLLBGV-CYBMUJFWSA-N -1 3 329.371 3.516 20 30 EHEDHM C[C@@H](NCc1c(F)cccc1N1CCCC1)c1cccc(C#N)c1[O-] ZINC000866356076 1137348870 /nfs/dbraw/zinc/34/88/70/1137348870.db2.gz AUMHVVVXDVOFHJ-CQSZACIVSA-N -1 3 339.414 3.854 20 30 EHEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1ccc(N2CCOC2=O)cc1 ZINC000794933971 1137367134 /nfs/dbraw/zinc/36/71/34/1137367134.db2.gz DGBXLLWNWJGCQA-ALCCZGGFSA-N -1 3 345.301 3.523 20 30 EHEDHM COCCOc1ccc(C(=O)/C=C/c2c(F)ccc([O-])c2F)cc1 ZINC000794939729 1137373185 /nfs/dbraw/zinc/37/31/85/1137373185.db2.gz XMFRGABIJFIQIH-SOFGYWHQSA-N -1 3 334.318 3.592 20 30 EHEDHM COc1cc2c(cc1OC)C(=O)/C(=C/c1c(F)ccc([O-])c1F)C2 ZINC000794958977 1137379871 /nfs/dbraw/zinc/37/98/71/1137379871.db2.gz QEKIWGLXLUWJPN-UXBLZVDNSA-N -1 3 332.302 3.510 20 30 EHEDHM C=CCOc1ccccc1[C@@H](C)Nc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001171376438 1137462556 /nfs/dbraw/zinc/46/25/56/1137462556.db2.gz WROOAFPKPTURTJ-CQSZACIVSA-N -1 3 335.411 3.913 20 30 EHEDHM C=CCOc1ccccc1[C@@H](C)Nc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001171376438 1137462558 /nfs/dbraw/zinc/46/25/58/1137462558.db2.gz WROOAFPKPTURTJ-CQSZACIVSA-N -1 3 335.411 3.913 20 30 EHEDHM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])C=Cc1cncc(F)c1 ZINC000136142778 1138019870 /nfs/dbraw/zinc/01/98/70/1138019870.db2.gz JHAAUCAOHNELOF-MOEXGYKKSA-N -1 3 347.349 3.615 20 30 EHEDHM C#Cc1cccc(NCc2cc(Br)c([O-])c(OC)c2)c1 ZINC000019876808 212079024 /nfs/dbraw/zinc/07/90/24/212079024.db2.gz NCPNNCVUMVMTMJ-UHFFFAOYSA-N -1 3 332.197 3.757 20 30 EHEDHM O=C1C(=Cc2ccc(Cl)s2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823505166 599118215 /nfs/dbraw/zinc/11/82/15/599118215.db2.gz YJHBBVJYCGDWOG-NTMALXAHSA-N -1 3 342.811 3.794 20 30 EHEDHM O=C1C(=Cc2ccc(Cl)s2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823505166 599118216 /nfs/dbraw/zinc/11/82/16/599118216.db2.gz YJHBBVJYCGDWOG-NTMALXAHSA-N -1 3 342.811 3.794 20 30 EHEDHM C=CCCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000735408898 598327016 /nfs/dbraw/zinc/32/70/16/598327016.db2.gz URAOQUMZSVTMCF-UHFFFAOYSA-N -1 3 335.367 3.564 20 30 EHEDHM C=CCCC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000735408898 598327018 /nfs/dbraw/zinc/32/70/18/598327018.db2.gz URAOQUMZSVTMCF-UHFFFAOYSA-N -1 3 335.367 3.564 20 30 EHEDHM C=CCOc1ccccc1CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000819759349 599549446 /nfs/dbraw/zinc/54/94/46/599549446.db2.gz VABJATGLGBXLCU-UHFFFAOYSA-N -1 3 341.802 3.697 20 30 EHEDHM C=CCOc1ccccc1CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000819759349 599549448 /nfs/dbraw/zinc/54/94/48/599549448.db2.gz VABJATGLGBXLCU-UHFFFAOYSA-N -1 3 341.802 3.697 20 30 EHEDHM CC(C)Oc1cccc([C@@H](C)N[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000736494188 600593130 /nfs/dbraw/zinc/59/31/30/600593130.db2.gz IRVKGDSGXPNDGC-KUHUBIRLSA-N -1 3 338.407 3.822 20 30 EHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)c(Cl)c1 ZINC000822923080 607458867 /nfs/dbraw/zinc/45/88/67/607458867.db2.gz NPNMRJNYGYDFBN-XQRVVYSFSA-N -1 3 346.724 3.694 20 30 EHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)c(Cl)c1 ZINC000822923080 607458869 /nfs/dbraw/zinc/45/88/69/607458869.db2.gz NPNMRJNYGYDFBN-XQRVVYSFSA-N -1 3 346.724 3.694 20 30 EHEDHM O=C([O-])c1ccc(CNCC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000833315254 601412041 /nfs/dbraw/zinc/41/20/41/601412041.db2.gz YRBSABQALDXXLR-UHFFFAOYSA-N -1 3 333.309 3.545 20 30 EHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc2c(c1)CCCC2 ZINC000822923298 606390146 /nfs/dbraw/zinc/39/01/46/606390146.db2.gz PONTTZMXGAJKKL-VQHVLOKHSA-N -1 3 336.420 3.703 20 30 EHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cc2ccccc2o1 ZINC000826400823 607915974 /nfs/dbraw/zinc/91/59/74/607915974.db2.gz JGOALHCVLCXXIG-VURMDHGXSA-N -1 3 334.310 3.648 20 30 EHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cc2ccccc2o1 ZINC000826400823 607915975 /nfs/dbraw/zinc/91/59/75/607915975.db2.gz JGOALHCVLCXXIG-VURMDHGXSA-N -1 3 334.310 3.648 20 30 EHEDHM COc1ccc2oc(C=CC(=O)c3cccc(-c4nnn[n-]4)c3)cc2c1 ZINC000826214015 608109609 /nfs/dbraw/zinc/10/96/09/608109609.db2.gz WUGYXBKKXNHFTB-ALCCZGGFSA-N -1 3 346.346 3.518 20 30 EHEDHM COc1ccc2oc(C=CC(=O)c3cccc(-c4nn[n-]n4)c3)cc2c1 ZINC000826214015 608109610 /nfs/dbraw/zinc/10/96/10/608109610.db2.gz WUGYXBKKXNHFTB-ALCCZGGFSA-N -1 3 346.346 3.518 20 30 EHEDHM O=C1c2cccc3c2[C@H](CCC3)C1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475562 608884408 /nfs/dbraw/zinc/88/44/08/608884408.db2.gz JYDJEXHQUWUDTJ-MLJKTZRHSA-N -1 3 346.365 3.706 20 30 EHEDHM O=C1c2cccc3c2[C@H](CCC3)C1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475562 608884410 /nfs/dbraw/zinc/88/44/10/608884410.db2.gz JYDJEXHQUWUDTJ-MLJKTZRHSA-N -1 3 346.365 3.706 20 30 EHEDHM CC(=NNc1cccc(Cl)c1C)c1ccc(-c2nnn[n-]2)cc1F ZINC000823962785 609275915 /nfs/dbraw/zinc/27/59/15/609275915.db2.gz OISGREVWFSUEPN-UHFFFAOYSA-N -1 3 344.781 3.804 20 30 EHEDHM CC(=NNc1cccc(Cl)c1C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823962785 609275916 /nfs/dbraw/zinc/27/59/16/609275916.db2.gz OISGREVWFSUEPN-UHFFFAOYSA-N -1 3 344.781 3.804 20 30 EHEDHM CC(C)c1ncc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000824364506 609473170 /nfs/dbraw/zinc/47/31/70/609473170.db2.gz JFRVMPTVCOTCDW-UHFFFAOYSA-N -1 3 347.835 3.546 20 30 EHEDHM CC(C)c1ncc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000824364506 609473172 /nfs/dbraw/zinc/47/31/72/609473172.db2.gz JFRVMPTVCOTCDW-UHFFFAOYSA-N -1 3 347.835 3.546 20 30 EHEDHM CC(Cc1ccsc1)N=Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824465208 609475122 /nfs/dbraw/zinc/47/51/22/609475122.db2.gz MNBOZNGWSBZASM-UHFFFAOYSA-N -1 3 332.820 3.612 20 30 EHEDHM CC(Cc1ccsc1)N=Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824465208 609475124 /nfs/dbraw/zinc/47/51/24/609475124.db2.gz MNBOZNGWSBZASM-UHFFFAOYSA-N -1 3 332.820 3.612 20 30 EHEDHM CC(C)C[C@@H](C)CC(C)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824392420 609518571 /nfs/dbraw/zinc/51/85/71/609518571.db2.gz NVENROOBLURDDA-SNVBAGLBSA-N -1 3 335.843 3.775 20 30 EHEDHM CC(C)C[C@@H](C)CC(C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824392420 609518573 /nfs/dbraw/zinc/51/85/73/609518573.db2.gz NVENROOBLURDDA-SNVBAGLBSA-N -1 3 335.843 3.775 20 30 EHEDHM O=C(C=Cc1cc(Cl)ccc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400106 948215299 /nfs/dbraw/zinc/21/52/99/948215299.db2.gz PHCZMPZXVUHZFO-KXFIGUGUSA-N -1 3 346.724 3.694 20 30 EHEDHM O=C(C=Cc1cc(Cl)ccc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400106 948215310 /nfs/dbraw/zinc/21/53/10/948215310.db2.gz PHCZMPZXVUHZFO-KXFIGUGUSA-N -1 3 346.724 3.694 20 30 EHEDHM C[C@@H](CC#N)Sc1ccccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000274750472 1014814534 /nfs/dbraw/zinc/81/45/34/1014814534.db2.gz AQFWQDNJZHGABQ-SWLSCSKDSA-N -1 3 335.429 3.661 20 30 EHEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000274750472 1014814545 /nfs/dbraw/zinc/81/45/45/1014814545.db2.gz AQFWQDNJZHGABQ-SWLSCSKDSA-N -1 3 335.429 3.661 20 30 EHEDHM N#Cc1ccc(SCc2noc(-c3ccccc3[O-])n2)c(F)c1 ZINC000436965025 1021412384 /nfs/dbraw/zinc/41/23/84/1021412384.db2.gz HMVAXNSJNOVEQL-UHFFFAOYSA-N -1 3 327.340 3.745 20 30 EHEDHM CN(C)c1cc(C#N)cc(C([O-])=C(C#N)c2nccc3ccccc32)c1 ZINC000346233672 1024547637 /nfs/dbraw/zinc/54/76/37/1024547637.db2.gz BUEYEQHNNITRHR-LJQANCHMSA-N -1 3 340.386 3.663 20 30 EHEDHM C=CCOc1ccccc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000515078511 1025001002 /nfs/dbraw/zinc/00/10/02/1025001002.db2.gz ZMZYDYOTGFWRGW-UHFFFAOYSA-N -1 3 348.196 3.972 20 30 EHEDHM CC(C)c1cc(C([O-])=C(C#N)c2ccccn2)nn1-c1ccccc1 ZINC000121945267 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COc1ccc(Cl)cc1/C=C/C(=O)c1cc(OC)c([O-])cc1OC ZINC000763105518 1121682635 /nfs/dbraw/zinc/68/26/35/1121682635.db2.gz LMHYTJUZJKHYNN-GQCTYLIASA-N -1 3 348.782 3.968 20 30 EHEDHM CO[C@H]1CCC[C@H](C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C1 ZINC001649025936 1121850637 /nfs/dbraw/zinc/85/06/37/1121850637.db2.gz HRMWVODCMBHHIW-FZMZJTMJSA-N -1 3 332.227 3.916 20 30 EHEDHM CCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1[O-] ZINC000916245029 1122108025 /nfs/dbraw/zinc/10/80/25/1122108025.db2.gz OYZSLMJEHAYNKO-UHFFFAOYSA-N -1 3 335.747 3.799 20 30 EHEDHM CC(=NNC(=S)Nc1cccc(Cl)c1)c1cc(F)ccc1[O-] ZINC000916285522 1122117033 /nfs/dbraw/zinc/11/70/33/1122117033.db2.gz PTWMAHMFDRJEFK-UHFFFAOYSA-N -1 3 337.807 3.895 20 30 EHEDHM N#CC(=C([O-])C1=Cc2ccccc2OC1)c1ccc2ccccc2n1 ZINC000916849705 1122361003 /nfs/dbraw/zinc/36/10/03/1122361003.db2.gz YBVKXIGNYQSQFU-QGZVFWFLSA-N -1 3 326.355 3.887 20 30 EHEDHM N#CCOc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000129434098 1122780873 /nfs/dbraw/zinc/78/08/73/1122780873.db2.gz 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EHEDHM C=CCCO[N-]C(=O)CCc1ccccc1NC(=O)OC(C)(C)C ZINC000856034325 1136751036 /nfs/dbraw/zinc/75/10/36/1136751036.db2.gz DRUNNMBGJWMHGK-UHFFFAOYSA-N -1 3 334.416 3.590 20 30 EHEDHM N#CCc1cccc2c1CCN(Cc1cc(Cl)c(F)cc1[O-])C2 ZINC000862544659 1137149526 /nfs/dbraw/zinc/14/95/26/1137149526.db2.gz RPJVVCMWIUODHR-UHFFFAOYSA-N -1 3 330.790 3.809 20 30 EHEDHM [O-]c1ccc(F)c(C=NNc2ccccc2Br)c1F ZINC000794490497 1137172582 /nfs/dbraw/zinc/17/25/82/1137172582.db2.gz UNUCIMKRVOJXOO-UHFFFAOYSA-N -1 3 327.128 3.879 20 30 EHEDHM C=CCC[C@@H](CO)[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843901630 1137185854 /nfs/dbraw/zinc/18/58/54/1137185854.db2.gz PJZJZFDKNLJCQK-VIFPVBQESA-N -1 3 338.181 3.529 20 30 EHEDHM C=CCOc1ccc(CNCc2cccc(CCC(=O)[O-])c2)cc1 ZINC000864517307 1137231710 /nfs/dbraw/zinc/23/17/10/1137231710.db2.gz DKGNOTKYJNAGHV-UHFFFAOYSA-N -1 3 325.408 3.558 20 30 EHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000845843959 1137312039 /nfs/dbraw/zinc/31/20/39/1137312039.db2.gz 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CCC(F)(F)C(=O)[N-][C@@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000825686501 1137605835 /nfs/dbraw/zinc/60/58/35/1137605835.db2.gz YYCKACRCYMJRNL-KRWDZBQOSA-N -1 3 344.361 3.992 20 30 EHEDHM Cc1sc([N-]C(=O)c2c(Cl)nn(C)c2Cl)c(C#N)c1C ZINC000875011234 1137627877 /nfs/dbraw/zinc/62/78/77/1137627877.db2.gz KDHGSCVBFWPZFJ-UHFFFAOYSA-N -1 3 329.212 3.529 20 30 EHEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])C=CSCc1ccco1 ZINC000134117467 1137940667 /nfs/dbraw/zinc/94/06/67/1137940667.db2.gz JCSXPFXZBZYEGW-PLWJUESGSA-N -1 3 337.404 3.790 20 30 EHEDHM CC(C)(C)Oc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000079794643 1138158636 /nfs/dbraw/zinc/15/86/36/1138158636.db2.gz VGBBYMYHJNLZBK-UHFFFAOYSA-N -1 3 328.294 3.637 20 30 EHEDHM CC(C)(C)Oc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000079794643 1138158638 /nfs/dbraw/zinc/15/86/38/1138158638.db2.gz VGBBYMYHJNLZBK-UHFFFAOYSA-N -1 3 328.294 3.637 20 30 EHEDHM CCCCCCCC[S@@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000190838243 1140420762 /nfs/dbraw/zinc/42/07/62/1140420762.db2.gz WGQVHHOXSOFZTO-JOCHJYFZSA-N -1 3 338.395 3.810 20 30 EHEDHM N#CCc1ccc(Oc2ccc(C(=O)Nc3ncccc3[O-])cc2)cc1 ZINC000348815765 1141585974 /nfs/dbraw/zinc/58/59/74/1141585974.db2.gz YCCIAJPXLRTLTR-UHFFFAOYSA-N -1 3 345.358 3.898 20 30 EHEDHM COc1ccc(C=CC(=O)c2cc(C)c(C)cc2C)cc1-c1nnn[n-]1 ZINC000737081306 599153314 /nfs/dbraw/zinc/15/33/14/599153314.db2.gz MVOVDQWMTFRUTI-ALCCZGGFSA-N -1 3 348.406 3.697 20 30 EHEDHM COc1ccc(C=CC(=O)c2cc(C)c(C)cc2C)cc1-c1nn[n-]n1 ZINC000737081306 599153317 /nfs/dbraw/zinc/15/33/17/599153317.db2.gz MVOVDQWMTFRUTI-ALCCZGGFSA-N -1 3 348.406 3.697 20 30 EHEDHM CC(C)COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735838343 598392082 /nfs/dbraw/zinc/39/20/82/598392082.db2.gz OXYKRCMMWNCNTC-LFYBBSHMSA-N -1 3 348.406 3.798 20 30 EHEDHM CC(C)COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735838343 598392084 /nfs/dbraw/zinc/39/20/84/598392084.db2.gz OXYKRCMMWNCNTC-LFYBBSHMSA-N -1 3 348.406 3.798 20 30 EHEDHM C[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(OC(F)F)cc1 ZINC000736661621 600592097 /nfs/dbraw/zinc/59/20/97/600592097.db2.gz GNPWTSHBTGDRPT-MEDUHNTESA-N -1 3 346.333 3.636 20 30 EHEDHM CCCOc1ccc([C@H](C)N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000737030721 600596746 /nfs/dbraw/zinc/59/67/46/600596746.db2.gz CASNNMSUTNLHOA-LIRRHRJNSA-N -1 3 338.407 3.824 20 30 EHEDHM C=CC[C@@H](NCc1cc(C)c(OCC(=O)[O-])c(C)c1)c1ccncc1 ZINC000736096091 600639909 /nfs/dbraw/zinc/63/99/09/600639909.db2.gz IIPTZVCDVOQZQI-GOSISDBHSA-N -1 3 340.423 3.569 20 30 EHEDHM C[C@@H](C(=O)[O-])[C@H](NCC#Cc1ccccc1Cl)c1ccccc1 ZINC000833411056 604975200 /nfs/dbraw/zinc/97/52/00/604975200.db2.gz LBCLIBPAKLZQOX-KDOFPFPSSA-N -1 3 327.811 3.743 20 30 EHEDHM Clc1ccc(NN=Cc2ccc(-c3nnn[n-]3)s2)c(Cl)c1 ZINC000822579197 606369015 /nfs/dbraw/zinc/36/90/15/606369015.db2.gz XGYUWXKQLVYFEF-UHFFFAOYSA-N -1 3 339.211 3.681 20 30 EHEDHM CSc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821979820 606389047 /nfs/dbraw/zinc/38/90/47/606389047.db2.gz YRJMQKJWMAZHTI-SOFGYWHQSA-N -1 3 328.422 3.546 20 30 EHEDHM CSc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1F ZINC000821979877 606392012 /nfs/dbraw/zinc/39/20/12/606392012.db2.gz ZUSPFJLITSWHJI-HWKANZROSA-N -1 3 346.412 3.685 20 30 EHEDHM O=C(C=Cc1cc2ccccc2s1)c1cccc(-c2nnn[n-]2)c1 ZINC000822924215 606933293 /nfs/dbraw/zinc/93/32/93/606933293.db2.gz ZAVKINQNLSRDBP-HJWRWDBZSA-N -1 3 332.388 3.978 20 30 EHEDHM O=C(C=Cc1cc2ccccc2s1)c1cccc(-c2nn[n-]n2)c1 ZINC000822924215 606933294 /nfs/dbraw/zinc/93/32/94/606933294.db2.gz ZAVKINQNLSRDBP-HJWRWDBZSA-N -1 3 332.388 3.978 20 30 EHEDHM C=CCC(CC=C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000819734355 607005954 /nfs/dbraw/zinc/00/59/54/607005954.db2.gz MZBPVEUGNAUUMK-UHFFFAOYSA-N -1 3 343.456 3.514 20 30 EHEDHM C=CCC(CC=C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000819734355 607005956 /nfs/dbraw/zinc/00/59/56/607005956.db2.gz MZBPVEUGNAUUMK-UHFFFAOYSA-N -1 3 343.456 3.514 20 30 EHEDHM O=C(C=Cc1cccc(Cl)c1F)c1cccc(-c2nnn[n-]2)c1 ZINC000822930045 607112064 /nfs/dbraw/zinc/11/20/64/607112064.db2.gz XUZCJLNDLALDQL-FPLPWBNLSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1cccc(Cl)c1F)c1cccc(-c2nn[n-]n2)c1 ZINC000822930045 607112066 /nfs/dbraw/zinc/11/20/66/607112066.db2.gz XUZCJLNDLALDQL-FPLPWBNLSA-N -1 3 328.734 3.555 20 30 EHEDHM Cc1[nH]c2ccccc2c1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826233647 607884165 /nfs/dbraw/zinc/88/41/65/607884165.db2.gz PYGKQBQHOMYVGY-ZHACJKMWSA-N -1 3 329.363 3.553 20 30 EHEDHM Cc1[nH]c2ccccc2c1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826233647 607884166 /nfs/dbraw/zinc/88/41/66/607884166.db2.gz PYGKQBQHOMYVGY-ZHACJKMWSA-N -1 3 329.363 3.553 20 30 EHEDHM C#CC[C@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccccc1 ZINC000823837263 607936170 /nfs/dbraw/zinc/93/61/70/607936170.db2.gz ACCRNZFGUOTFOV-KRWDZBQOSA-N -1 3 340.390 3.591 20 30 EHEDHM C#CC[C@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccccc1 ZINC000823837263 607936171 /nfs/dbraw/zinc/93/61/71/607936171.db2.gz ACCRNZFGUOTFOV-KRWDZBQOSA-N -1 3 340.390 3.591 20 30 EHEDHM O=C(C=Cc1ccccc1C1CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826402003 609272995 /nfs/dbraw/zinc/27/29/95/609272995.db2.gz KWKNLYJPCNEZCM-NTMALXAHSA-N -1 3 334.354 3.779 20 30 EHEDHM O=C(C=Cc1ccccc1C1CC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826402003 609272996 /nfs/dbraw/zinc/27/29/96/609272996.db2.gz KWKNLYJPCNEZCM-NTMALXAHSA-N -1 3 334.354 3.779 20 30 EHEDHM C[C@@H]1Sc2sccc2C(=O)C1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822000608 945914015 /nfs/dbraw/zinc/91/40/15/945914015.db2.gz PJLPRLVCNACNMW-SYFUPATCSA-N -1 3 346.462 3.750 20 30 EHEDHM C[C@@H]1Sc2sccc2C(=O)C1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822000608 945914020 /nfs/dbraw/zinc/91/40/20/945914020.db2.gz PJLPRLVCNACNMW-SYFUPATCSA-N -1 3 346.462 3.750 20 30 EHEDHM CC(C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1)=Cc1ccccc1 ZINC000824385388 946674970 /nfs/dbraw/zinc/67/49/70/946674970.db2.gz RWCDPKROMVOXAH-LFZMHEMLSA-N -1 3 334.354 3.848 20 30 EHEDHM CC(C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1)=Cc1ccccc1 ZINC000824385388 946674974 /nfs/dbraw/zinc/67/49/74/946674974.db2.gz RWCDPKROMVOXAH-LFZMHEMLSA-N -1 3 334.354 3.848 20 30 EHEDHM C=CCC1(NC(=O)Nc2cc(-c3nnn[n-]3)ccc2C)CCCCC1 ZINC001573329840 947428402 /nfs/dbraw/zinc/42/84/02/947428402.db2.gz PZIIMAPFAGRLEJ-UHFFFAOYSA-N -1 3 340.431 3.576 20 30 EHEDHM C=CCC1(NC(=O)Nc2cc(-c3nn[n-]n3)ccc2C)CCCCC1 ZINC001573329840 947428409 /nfs/dbraw/zinc/42/84/09/947428409.db2.gz PZIIMAPFAGRLEJ-UHFFFAOYSA-N -1 3 340.431 3.576 20 30 EHEDHM O=C(C=CC=Cc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400046 948216102 /nfs/dbraw/zinc/21/61/02/948216102.db2.gz NQMSGBXKYLPRPW-HSFFGMMNSA-N -1 3 338.317 3.597 20 30 EHEDHM O=C(C=CC=Cc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400046 948216109 /nfs/dbraw/zinc/21/61/09/948216109.db2.gz NQMSGBXKYLPRPW-HSFFGMMNSA-N -1 3 338.317 3.597 20 30 EHEDHM Cc1cccc([C@@H](NCc2cccc(OCCCC#N)c2)C(=O)[O-])c1 ZINC000904262415 956951165 /nfs/dbraw/zinc/95/11/65/956951165.db2.gz GSPNODZSULFNBF-LJQANCHMSA-N -1 3 338.407 3.593 20 30 EHEDHM C[C@H](CC(C)(C)C#N)N[C@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC001592440506 978097541 /nfs/dbraw/zinc/09/75/41/978097541.db2.gz ZYPYTKHUGLXMNN-MFKMUULPSA-N -1 3 344.333 3.629 20 30 EHEDHM C=CCOc1cccc(CN[C@@H](CC(=O)[O-])c2ccc(OC)cc2)c1 ZINC000683172060 1014727263 /nfs/dbraw/zinc/72/72/63/1014727263.db2.gz VAGRTKCDKXFJFN-IBGZPJMESA-N -1 3 341.407 3.566 20 30 EHEDHM C#Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)cc1 ZINC001588517065 983563088 /nfs/dbraw/zinc/56/30/88/983563088.db2.gz JIMIGETWWNQHSR-MRXNPFEDSA-N -1 3 333.309 3.602 20 30 EHEDHM C[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1cccc(OC(F)F)c1 ZINC001593189272 994110991 /nfs/dbraw/zinc/11/09/91/994110991.db2.gz GNRJGSMZWDQWJB-MEDUHNTESA-N -1 3 346.333 3.636 20 30 EHEDHM Cc1cc(C(=O)/C=C\c2ccc(N3CCOCC3)c(F)c2)ccc1[O-] ZINC000728231658 1016277475 /nfs/dbraw/zinc/27/74/75/1016277475.db2.gz MTTBTEKCWUMVCI-UTCJRWHESA-N -1 3 341.382 3.572 20 30 EHEDHM C=C(C)C[C@@H](C)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000185178708 1032358386 /nfs/dbraw/zinc/35/83/86/1032358386.db2.gz BDKPBJNKTTVWJJ-CYBMUJFWSA-N -1 3 325.412 3.540 20 30 EHEDHM CCc1cccc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1[O-] ZINC000091990177 1032750517 /nfs/dbraw/zinc/75/05/17/1032750517.db2.gz XEJBWZSVDZMQFN-RBUKOAKNSA-N -1 3 334.419 3.867 20 30 EHEDHM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])C=Cc1cncc(F)c1 ZINC000255325372 1021108636 /nfs/dbraw/zinc/10/86/36/1021108636.db2.gz JHAAUCAOHNELOF-WLMCBFPDSA-N -1 3 347.349 3.615 20 30 EHEDHM Cc1ncc(CO)c(/C=N/c2cccc(C3SCCS3)c2)c1[O-] ZINC000018138022 1022057716 /nfs/dbraw/zinc/05/77/16/1022057716.db2.gz ZNBNLKGOYGIOFV-DJKKODMXSA-N -1 3 346.477 3.817 20 30 EHEDHM N#CCCSc1ccccc1[N-]S(=O)(=O)CCc1ccccc1 ZINC000341800109 1023337450 /nfs/dbraw/zinc/33/74/50/1023337450.db2.gz IOHYMLDTPBZVTE-UHFFFAOYSA-N -1 3 346.477 3.677 20 30 EHEDHM [O-]c1ccc(Br)cc1/C=N/CCOCc1ccccc1 ZINC000176322363 1023963191 /nfs/dbraw/zinc/96/31/91/1023963191.db2.gz OLZAEEPCPHBGFK-WOJGMQOQSA-N -1 3 334.213 3.790 20 30 EHEDHM Cc1ccccc1-c1cc(=NC(=O)c2ccc(C#N)c(Cl)c2)[nH][n-]1 ZINC000548637119 1024948239 /nfs/dbraw/zinc/94/82/39/1024948239.db2.gz LGCDBRHYZCHVDD-UHFFFAOYSA-N -1 3 336.782 3.584 20 30 EHEDHM CO[C@@H](CC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC000901379322 1030543396 /nfs/dbraw/zinc/54/33/96/1030543396.db2.gz ZYSQWZUGIVOKMP-JTQLQIEISA-N -1 3 346.132 3.679 20 30 EHEDHM Cn1nc(C(C)(C)C)cc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000483214344 1031042740 /nfs/dbraw/zinc/04/27/40/1031042740.db2.gz NJVCPUIFRMSTRR-HNNXBMFYSA-N -1 3 332.407 3.756 20 30 EHEDHM CC(C)(C)c1cnc(CCC(=O)N([O-])Cc2ccccc2Cl)o1 ZINC000904190839 1031837983 /nfs/dbraw/zinc/83/79/83/1031837983.db2.gz RQIQPRLSGXEKHX-UHFFFAOYSA-N -1 3 336.819 3.976 20 30 EHEDHM N#CC(=C([O-])c1ccc(Cn2cccn2)cc1)c1nc(C2CC2)cs1 ZINC000647375471 1034072907 /nfs/dbraw/zinc/07/29/07/1034072907.db2.gz ZTZMTZXQWRCADK-MRXNPFEDSA-N -1 3 348.431 3.755 20 30 EHEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1cccc(N2CCOC2=O)c1 ZINC000492725485 1036216488 /nfs/dbraw/zinc/21/64/88/1036216488.db2.gz RRSVRBKNOVLTGR-GQCTYLIASA-N -1 3 345.301 3.523 20 30 EHEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@H]1C[C@H]1c1ccccc1Cl ZINC000045571865 1036508953 /nfs/dbraw/zinc/50/89/53/1036508953.db2.gz BWCUMKREOQAMJN-YUMQZZPRSA-N -1 3 330.697 3.869 20 30 EHEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@H]1C[C@H]1c1ccccc1Cl ZINC000045571865 1036508967 /nfs/dbraw/zinc/50/89/67/1036508967.db2.gz BWCUMKREOQAMJN-YUMQZZPRSA-N -1 3 330.697 3.869 20 30 EHEDHM N#CC(=C([O-])c1c[nH]c(C(F)(F)F)c1)c1cc(C(F)(F)F)ccn1 ZINC000429583261 1039147117 /nfs/dbraw/zinc/14/71/17/1039147117.db2.gz APTCNUSVLFNWGZ-SECBINFHSA-N -1 3 347.218 3.937 20 30 EHEDHM C=CC1CCN(C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)CC1 ZINC000906646747 1039685204 /nfs/dbraw/zinc/68/52/04/1039685204.db2.gz JSOYWHANNWXOIZ-UHFFFAOYSA-N -1 3 337.445 3.528 20 30 EHEDHM C=CCOc1ccc(C=Cc2cc(=O)[n-]c(-c3ccncc3)n2)cc1 ZINC000485981254 1039747267 /nfs/dbraw/zinc/74/72/67/1039747267.db2.gz SFUJWQQTUZEFDZ-ZZXKWVIFSA-N -1 3 331.375 3.567 20 30 EHEDHM C[C@H](CCc1cccn1C)/N=C/c1cc(Br)ccc1[O-] ZINC000741844242 1127564733 /nfs/dbraw/zinc/56/47/33/1127564733.db2.gz OMWBSVVURGYNSX-MBNTZHJCSA-N -1 3 335.245 3.933 20 30 EHEDHM Cc1noc2ncc(C(=O)N([O-])Cc3cccc4ccccc43)cc12 ZINC001649069518 1128133878 /nfs/dbraw/zinc/13/38/78/1128133878.db2.gz CCSNQOPKCYIZGW-UHFFFAOYSA-N -1 3 333.347 3.716 20 30 EHEDHM COc1cc(C=NNc2ccc(C)cc2)cc(Br)c1[O-] ZINC000916250522 1122110652 /nfs/dbraw/zinc/11/06/52/1122110652.db2.gz KIIGUJUXKFPUEJ-UHFFFAOYSA-N -1 3 335.201 3.918 20 30 EHEDHM O=C(C(=NN=Cc1cccc(O)c1[O-])c1ccccc1)c1ccccc1 ZINC000916267003 1122112550 /nfs/dbraw/zinc/11/25/50/1122112550.db2.gz TYSHRGUOAQJMKW-UHFFFAOYSA-N -1 3 344.370 3.804 20 30 EHEDHM O=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1nnc(C(F)(F)F)[n-]1 ZINC000068111222 1122595481 /nfs/dbraw/zinc/59/54/81/1122595481.db2.gz AEDXCWAOYRMFMF-UHFFFAOYSA-N -1 3 343.696 3.789 20 30 EHEDHM O=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1nc(C(F)(F)F)n[n-]1 ZINC000068111222 1122595484 /nfs/dbraw/zinc/59/54/84/1122595484.db2.gz AEDXCWAOYRMFMF-UHFFFAOYSA-N -1 3 343.696 3.789 20 30 EHEDHM CC(C)(C)[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cnsn3)sc2C1 ZINC000918553418 1122845798 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COCc1nocc1C(=O)[N-]c1sc2c(c1C#N)CCCCCC2 ZINC000425456489 1025338175 /nfs/dbraw/zinc/33/81/75/1025338175.db2.gz WTJRXVFVXCITPE-UHFFFAOYSA-N -1 3 345.424 3.665 20 30 EHEDHM CC(C)COc1ccc(S(=O)(=O)[N-]c2cccc(CC#N)c2)cc1 ZINC000451105144 1025570388 /nfs/dbraw/zinc/57/03/88/1025570388.db2.gz CENXWOPJOJUUGC-UHFFFAOYSA-N -1 3 344.436 3.588 20 30 EHEDHM CCC[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(C)(C)C ZINC000452660891 1026906173 /nfs/dbraw/zinc/90/61/73/1026906173.db2.gz IJHHZNAUEJYMQA-INIZCTEOSA-N -1 3 331.460 3.539 20 30 EHEDHM Cc1cc(F)c(Br)cc1N=Cc1ccc(O)c([O-])c1O ZINC000588565429 1028554993 /nfs/dbraw/zinc/55/49/93/1028554993.db2.gz TZGGBPFZRZKUGC-UHFFFAOYSA-N -1 3 340.148 3.764 20 30 EHEDHM CSc1ccc(O[C@@H](C)C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000076989456 1029070320 /nfs/dbraw/zinc/07/03/20/1029070320.db2.gz QTBNSFDJVKUGPP-JTQLQIEISA-N -1 3 344.396 3.842 20 30 EHEDHM C=C(C)C(C)(C)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000424592026 1029173288 /nfs/dbraw/zinc/17/32/88/1029173288.db2.gz AVNHDFATFYJPDU-UHFFFAOYSA-N -1 3 325.412 3.952 20 30 EHEDHM C=CC[C@H]1N(C(=O)c2cc(NC(C)=O)ccc2[O-])CCCC1(C)C ZINC000278257865 1029850301 /nfs/dbraw/zinc/85/03/01/1029850301.db2.gz XWHVPANIEBBFOS-QGZVFWFLSA-N -1 3 330.428 3.558 20 30 EHEDHM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N([O-])CCCCc1ccccc1 ZINC000904196828 1031841779 /nfs/dbraw/zinc/84/17/79/1031841779.db2.gz ICCQFFGMNRHBTH-AWEZNQCLSA-N -1 3 329.444 3.761 20 30 EHEDHM Cc1csc([N-]C(=O)c2oc(COC(C)(C)C)nc2C)c1C#N ZINC000593158687 1034141715 /nfs/dbraw/zinc/14/17/15/1034141715.db2.gz CRGYEEQZXXNJRX-UHFFFAOYSA-N -1 3 333.413 3.792 20 30 EHEDHM C[C@]1(C#N)CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000612365785 1034845604 /nfs/dbraw/zinc/84/56/04/1034845604.db2.gz ZHHLWRRZJYRWBN-OAQYLSRUSA-N -1 3 334.419 3.749 20 30 EHEDHM CCN(CC)[C@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccsc1 ZINC000032074848 1036100528 /nfs/dbraw/zinc/10/05/28/1036100528.db2.gz LOHCYDAPTCUBMX-VHWUNXFSSA-N -1 3 347.440 3.864 20 30 EHEDHM N#CC(=C([O-])c1cccc(OC(F)F)c1)c1cnc2ccccc2n1 ZINC000190924123 1036305221 /nfs/dbraw/zinc/30/52/21/1036305221.db2.gz HUKFDCGCXSDYBP-ZDUSSCGKSA-N -1 3 339.301 3.721 20 30 EHEDHM N#CC(=C([O-])c1cccc(-n2cccc2)c1)c1cnc2ccccc2n1 ZINC000190980705 1036312201 /nfs/dbraw/zinc/31/22/01/1036312201.db2.gz KWIHAWDQQHUGMU-KRWDZBQOSA-N -1 3 338.370 3.911 20 30 EHEDHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)ccc1OC(C)C ZINC000609107204 1037532218 /nfs/dbraw/zinc/53/22/18/1037532218.db2.gz ZPZDOELKLZQOMN-UHFFFAOYSA-N -1 3 348.399 3.594 20 30 EHEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(S[C@@H](C)CC)cc1C ZINC000416948427 1039254057 /nfs/dbraw/zinc/25/40/57/1039254057.db2.gz ZBQTUDRXMSXELA-GXTWGEPZSA-N -1 3 326.487 3.930 20 30 EHEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(COC(C)(C)CC)c1C ZINC000416959104 1039270734 /nfs/dbraw/zinc/27/07/34/1039270734.db2.gz PSRFEYKCWLMIEZ-HNNXBMFYSA-N -1 3 338.473 3.744 20 30 EHEDHM C=C[C@@H](CCC(=O)[O-])NCc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000417633272 1040096258 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Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N([O-])Cc1ccccc1Cl ZINC001649045928 1127992741 /nfs/dbraw/zinc/99/27/41/1127992741.db2.gz GBVPAKMLDIVGSQ-UHFFFAOYSA-N -1 3 334.759 3.897 20 30 EHEDHM CCCCN([O-])C(=O)c1ccn(-c2ccccc2C(F)(F)F)n1 ZINC001649061730 1128090300 /nfs/dbraw/zinc/09/03/00/1128090300.db2.gz WLGVAHGZLXOCMM-UHFFFAOYSA-N -1 3 327.306 3.523 20 30 EHEDHM COc1cc(C(=O)/C=C/c2cnc(Cl)c(C)c2)c(OC)cc1[O-] ZINC000763105530 1121682677 /nfs/dbraw/zinc/68/26/77/1121682677.db2.gz LQQNMUGJPKTHOY-SNAWJCMRSA-N -1 3 333.771 3.662 20 30 EHEDHM [O-]c1ccc(Cl)cc1C=NN1C(=S)N=NC1c1cccs1 ZINC000916314218 1122125878 /nfs/dbraw/zinc/12/58/78/1122125878.db2.gz POOMEYUGLNHBQB-UHFFFAOYSA-N -1 3 336.829 3.537 20 30 EHEDHM C#Cc1cccc(NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)c1 ZINC000920837093 1123429716 /nfs/dbraw/zinc/42/97/16/1123429716.db2.gz UOYHBJBSSXZJBM-UHFFFAOYSA-N -1 3 344.374 3.783 20 30 EHEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1c(F)cccc1NC(C)C ZINC000124954669 1129648441 /nfs/dbraw/zinc/64/84/41/1129648441.db2.gz LLPNGIWLMYHKLR-UHFFFAOYSA-N -1 3 347.415 3.627 20 30 EHEDHM Cc1ccc(N2CCC[C@@H](/N=C\c3cc(Cl)ccc3[O-])C2=O)cc1 ZINC000741845161 1131655947 /nfs/dbraw/zinc/65/59/47/1131655947.db2.gz RUQXQNPOAXCSDV-CTPANLQCSA-N -1 3 342.826 3.969 20 30 EHEDHM C=C(C)CCOC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000744304348 1132067251 /nfs/dbraw/zinc/06/72/51/1132067251.db2.gz RPSRMXINHRSQIY-UHFFFAOYSA-N -1 3 335.201 3.962 20 30 EHEDHM C=CCCC[C@H](C(=O)Nc1cnc(C(=O)OCC)[n-]1)c1ccccc1 ZINC001169881267 1132878655 /nfs/dbraw/zinc/87/86/55/1132878655.db2.gz PPERIAWOUBFPCZ-HNNXBMFYSA-N -1 3 341.411 3.665 20 30 EHEDHM C=CCCC[C@H](C(=O)Nc1c[n-]c(C(=O)OCC)n1)c1ccccc1 ZINC001169881267 1132878666 /nfs/dbraw/zinc/87/86/66/1132878666.db2.gz PPERIAWOUBFPCZ-HNNXBMFYSA-N -1 3 341.411 3.665 20 30 EHEDHM COC1(C/N=C\c2cc(Br)ccc2[O-])CCCCC1 ZINC000773905908 1133466913 /nfs/dbraw/zinc/46/69/13/1133466913.db2.gz KVJJIHBOYSGHME-YVLHZVERSA-N -1 3 326.234 3.923 20 30 EHEDHM CN(CCc1cccc(C#N)c1)Cc1cccc([O-])c1Br ZINC001183429073 1133805051 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EHEDHM C#CC[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000787152568 1133960358 /nfs/dbraw/zinc/96/03/58/1133960358.db2.gz WYZISXXOQXZRIJ-GOSISDBHSA-N -1 3 325.383 3.735 20 30 EHEDHM C=CCn1c(=O)[n-]nc1SCc1cc2ccccc2c(Cl)n1 ZINC000787491247 1134009873 /nfs/dbraw/zinc/00/98/73/1134009873.db2.gz LQOZCEZZHBUZIM-UHFFFAOYSA-N -1 3 332.816 3.664 20 30 EHEDHM C=CCc1c(F)c(F)c(C(=O)[N-]c2cccnc2F)c(F)c1F ZINC001186712968 1134246829 /nfs/dbraw/zinc/24/68/29/1134246829.db2.gz HTHFXRAFUWCUDB-UHFFFAOYSA-N -1 3 328.240 3.758 20 30 EHEDHM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cc([O-])c2ccccc2c1 ZINC000792491709 1134689469 /nfs/dbraw/zinc/68/94/69/1134689469.db2.gz MMKRIHGEUDGFAT-LJQANCHMSA-N -1 3 328.371 3.834 20 30 EHEDHM C=CCCCCCC[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000805104074 1135232694 /nfs/dbraw/zinc/23/26/94/1135232694.db2.gz KTBOWJUCCYQEJY-UHFFFAOYSA-N -1 3 336.379 3.515 20 30 EHEDHM C#C[C@H]([N-]C(=O)C(F)(F)c1cc(Cl)ccc1OC)c1ccccc1 ZINC001130322807 1135306585 /nfs/dbraw/zinc/30/65/85/1135306585.db2.gz 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N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])Cc1ccc(Cl)s1 ZINC000845844559 1137312118 /nfs/dbraw/zinc/31/21/18/1137312118.db2.gz HHXYJLLRTZZZBE-AWEZNQCLSA-N -1 3 343.835 3.954 20 30 EHEDHM CCOC(=O)Cc1ccc(C(=O)/C=C/c2c(F)ccc([O-])c2F)cc1 ZINC000794936212 1137371211 /nfs/dbraw/zinc/37/12/11/1137371211.db2.gz CVUSVWAVKFJDGK-VQHVLOKHSA-N -1 3 346.329 3.672 20 30 EHEDHM COc1cc(/C=C2\CCc3ccc(O)cc3C2=O)cc(Cl)c1[O-] ZINC000794960212 1137379980 /nfs/dbraw/zinc/37/99/80/1137379980.db2.gz OIPBKMCBDSFASR-WUXMJOGZSA-N -1 3 330.767 3.972 20 30 EHEDHM COC(=O)c1ccc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@H]2C)cc1 ZINC000213220606 1137836061 /nfs/dbraw/zinc/83/60/61/1137836061.db2.gz KYIGSDKCHVOIHQ-YWEFTTLKSA-N -1 3 326.323 3.701 20 30 EHEDHM CC(C)(C#N)c1ccccc1CO[N-]C(=O)CCOc1ccccc1 ZINC000134162335 1137945412 /nfs/dbraw/zinc/94/54/12/1137945412.db2.gz KBKLIIKSASPTJO-UHFFFAOYSA-N -1 3 338.407 3.505 20 30 EHEDHM Cc1noc(C)c1C[C@@H](C)/N=C/c1cc(Br)ccc1[O-] ZINC000078022732 1138144508 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CCCCCC[C@H](CC)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736448287 599197215 /nfs/dbraw/zinc/19/72/15/599197215.db2.gz WHXWKBHBFNQOLG-ZDUSSCGKSA-N -1 3 340.431 3.673 20 30 EHEDHM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(OC(F)F)cc1 ZINC000736661606 600592045 /nfs/dbraw/zinc/59/20/45/600592045.db2.gz GNPWTSHBTGDRPT-BDJLRTHQSA-N -1 3 346.333 3.636 20 30 EHEDHM C[C@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(OC(F)F)cc1 ZINC000736661624 600592135 /nfs/dbraw/zinc/59/21/35/600592135.db2.gz GNPWTSHBTGDRPT-ZBEGNZNMSA-N -1 3 346.333 3.636 20 30 EHEDHM N#Cc1ccc([C@@H](N[C@H]2CCc3cc(Cl)ccc32)C(=O)[O-])cc1 ZINC000739105378 600595983 /nfs/dbraw/zinc/59/59/83/600595983.db2.gz GPLVFOVVNMDVIX-DLBZAZTESA-N -1 3 326.783 3.614 20 30 EHEDHM C[C@H](C(=O)[O-])[C@H](NCC#Cc1ccc(Cl)cc1)c1ccccc1 ZINC000826045788 601654005 /nfs/dbraw/zinc/65/40/05/601654005.db2.gz ZDWNJUZRRPFJAM-KSSFIOAISA-N -1 3 327.811 3.743 20 30 EHEDHM C=CCCCC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000819734308 606261619 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CC1(C)CCC[C@@H](CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C1 ZINC000824803894 608540670 /nfs/dbraw/zinc/54/06/70/608540670.db2.gz YPLJIHVJSYYSTP-SNVBAGLBSA-N -1 3 333.827 3.529 20 30 EHEDHM O=C1c2c3ccccc3[nH]c2CCC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000826475417 609369384 /nfs/dbraw/zinc/36/93/84/609369384.db2.gz FUVONPSWUXPEOB-MDZDMXLPSA-N -1 3 347.403 3.622 20 30 EHEDHM CC(C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1)=Cc1ccccc1 ZINC000824385389 946675636 /nfs/dbraw/zinc/67/56/36/946675636.db2.gz RWCDPKROMVOXAH-XQALPWGSSA-N -1 3 334.354 3.848 20 30 EHEDHM CC(C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1)=Cc1ccccc1 ZINC000824385389 946675642 /nfs/dbraw/zinc/67/56/42/946675642.db2.gz RWCDPKROMVOXAH-XQALPWGSSA-N -1 3 334.354 3.848 20 30 EHEDHM C=C(C)c1cccc(NC(=O)Cc2c(C)cc(-c3nnn[n-]3)cc2C)c1 ZINC001573294437 946988487 /nfs/dbraw/zinc/98/84/87/946988487.db2.gz FPCQFLXQPPRSRL-UHFFFAOYSA-N -1 3 347.422 3.698 20 30 EHEDHM C=C(C)c1cccc(NC(=O)Cc2c(C)cc(-c3nn[n-]n3)cc2C)c1 ZINC001573294437 946988493 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/nfs/dbraw/zinc/11/39/72/599113972.db2.gz ASJHSOXHFCHSPG-KAMYIIQDSA-N -1 3 342.358 3.825 20 30 EHEDHM O=C1C(=Cc2cc3ccccc3o2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823503057 599113974 /nfs/dbraw/zinc/11/39/74/599113974.db2.gz ASJHSOXHFCHSPG-KAMYIIQDSA-N -1 3 342.358 3.825 20 30 EHEDHM Cc1cc(C)cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1 ZINC000822196599 599116835 /nfs/dbraw/zinc/11/68/35/599116835.db2.gz PMPCUMOVWSBIIW-YBEGLDIGSA-N -1 3 330.391 3.696 20 30 EHEDHM Cc1cc(C)cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1 ZINC000822196599 599116838 /nfs/dbraw/zinc/11/68/38/599116838.db2.gz PMPCUMOVWSBIIW-YBEGLDIGSA-N -1 3 330.391 3.696 20 30 EHEDHM FC(F)(F)c1cc(N=NC[C@H]2CC=CCC2)ccc1-c1nnn[n-]1 ZINC000737633647 598316139 /nfs/dbraw/zinc/31/61/39/598316139.db2.gz UNSCZQWVYSHWMY-JTQLQIEISA-N -1 3 336.321 3.640 20 30 EHEDHM FC(F)(F)c1cc(N=NC[C@H]2CC=CCC2)ccc1-c1nn[n-]n1 ZINC000737633647 598316140 /nfs/dbraw/zinc/31/61/40/598316140.db2.gz UNSCZQWVYSHWMY-JTQLQIEISA-N -1 3 336.321 3.640 20 30 EHEDHM C[C@H](SCc1ccc(F)cc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000736190711 599325944 /nfs/dbraw/zinc/32/59/44/599325944.db2.gz GZSZAZHPUPPAAX-NSHDSACASA-N -1 3 339.399 3.872 20 30 EHEDHM C[C@H](SCc1ccc(F)cc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000736190711 599325947 /nfs/dbraw/zinc/32/59/47/599325947.db2.gz GZSZAZHPUPPAAX-NSHDSACASA-N -1 3 339.399 3.872 20 30 EHEDHM O=C1c2ccccc2CCCC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823503757 607455556 /nfs/dbraw/zinc/45/55/56/607455556.db2.gz INLFNCIBAPZAOM-UVTDQMKNSA-N -1 3 334.354 3.608 20 30 EHEDHM O=C1c2ccccc2CCCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823503757 607455558 /nfs/dbraw/zinc/45/55/58/607455558.db2.gz INLFNCIBAPZAOM-UVTDQMKNSA-N -1 3 334.354 3.608 20 30 EHEDHM CC1(C)c2ccccc2C(=O)C1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000820577668 607459603 /nfs/dbraw/zinc/45/96/03/607459603.db2.gz TWRLMZBDKNXFMF-DHDCSXOGSA-N -1 3 334.354 3.563 20 30 EHEDHM CC1(C)c2ccccc2C(=O)C1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000820577668 607459604 /nfs/dbraw/zinc/45/96/04/607459604.db2.gz TWRLMZBDKNXFMF-DHDCSXOGSA-N -1 3 334.354 3.563 20 30 EHEDHM CC(C)COc1cccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000826905133 601302916 /nfs/dbraw/zinc/30/29/16/601302916.db2.gz DHIULMWSXPVOLB-IBGZPJMESA-N -1 3 338.407 3.509 20 30 EHEDHM O=C1C(=Cc2coc3ccccc23)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000826477247 607528180 /nfs/dbraw/zinc/52/81/80/607528180.db2.gz YNJDJECYJHINLR-JLHYYAGUSA-N -1 3 342.358 3.825 20 30 EHEDHM O=C1C(=Cc2coc3ccccc23)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000826477247 607528181 /nfs/dbraw/zinc/52/81/81/607528181.db2.gz YNJDJECYJHINLR-JLHYYAGUSA-N -1 3 342.358 3.825 20 30 EHEDHM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1ccc(C#N)cc1F ZINC000829028036 604652344 /nfs/dbraw/zinc/65/23/44/604652344.db2.gz RHJZAWFYSZJZCJ-GOSISDBHSA-N -1 3 326.371 3.735 20 30 EHEDHM C=CCC[C@H](NCC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000833373731 605144197 /nfs/dbraw/zinc/14/41/97/605144197.db2.gz ZOTYKVCIMFYAPR-SFHVURJKSA-N -1 3 338.407 3.620 20 30 EHEDHM C=CCC[C@@H](NCC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000833373730 605144565 /nfs/dbraw/zinc/14/45/65/605144565.db2.gz ZOTYKVCIMFYAPR-GOSISDBHSA-N -1 3 338.407 3.620 20 30 EHEDHM N#Cc1ccc(F)c(CSc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000822829684 606630697 /nfs/dbraw/zinc/63/06/97/606630697.db2.gz DMLGUQYBROFXKV-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM N#Cc1ccc(F)c(CSc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000822829684 606630698 /nfs/dbraw/zinc/63/06/98/606630698.db2.gz DMLGUQYBROFXKV-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM N#Cc1ccc(F)c(CSc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822829974 606852069 /nfs/dbraw/zinc/85/20/69/606852069.db2.gz RRGAKINBHJFFKN-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM N#Cc1ccc(F)c(CSc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822829974 606852071 /nfs/dbraw/zinc/85/20/71/606852071.db2.gz RRGAKINBHJFFKN-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1cc2c(s1)CCCC2 ZINC000822930416 606977775 /nfs/dbraw/zinc/97/77/75/606977775.db2.gz ZSNXUFADPFZEAP-HJWRWDBZSA-N -1 3 336.420 3.703 20 30 EHEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1cc2c(s1)CCCC2 ZINC000822930416 606977777 /nfs/dbraw/zinc/97/77/77/606977777.db2.gz ZSNXUFADPFZEAP-HJWRWDBZSA-N -1 3 336.420 3.703 20 30 EHEDHM CCC[C@@H](C)CN=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825233789 607888332 /nfs/dbraw/zinc/88/83/32/607888332.db2.gz RORNDTJTBPQEPT-SECBINFHSA-N -1 3 326.326 3.719 20 30 EHEDHM CCC[C@@H](C)CN=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825233789 607888333 /nfs/dbraw/zinc/88/83/33/607888333.db2.gz RORNDTJTBPQEPT-SECBINFHSA-N -1 3 326.326 3.719 20 30 EHEDHM CC(C)(C)CCN=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824086570 607888395 /nfs/dbraw/zinc/88/83/95/607888395.db2.gz NPELTQWWXQGSGO-UHFFFAOYSA-N -1 3 326.326 3.719 20 30 EHEDHM CC(C)(C)CCN=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824086570 607888396 /nfs/dbraw/zinc/88/83/96/607888396.db2.gz NPELTQWWXQGSGO-UHFFFAOYSA-N -1 3 326.326 3.719 20 30 EHEDHM O=C1c2cccc3c2[C@H](CCC3)C1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000826475508 608109728 /nfs/dbraw/zinc/10/97/28/608109728.db2.gz IHVQIJRHHCVZNA-BRYYZUPOSA-N -1 3 346.365 3.706 20 30 EHEDHM O=C1c2cccc3c2[C@H](CCC3)C1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000826475508 608109729 /nfs/dbraw/zinc/10/97/29/608109729.db2.gz IHVQIJRHHCVZNA-BRYYZUPOSA-N -1 3 346.365 3.706 20 30 EHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(Cl)c(F)c1 ZINC000826399591 608229397 /nfs/dbraw/zinc/22/93/97/608229397.db2.gz AAUMSFSPUNERHO-DJWKRKHSSA-N -1 3 334.763 3.617 20 30 EHEDHM CC1(C)CCC[C@H](CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C1 ZINC000824803893 608540528 /nfs/dbraw/zinc/54/05/28/608540528.db2.gz YPLJIHVJSYYSTP-JTQLQIEISA-N -1 3 333.827 3.529 20 30 EHEDHM CC1(C)CCC[C@H](CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C1 ZINC000824803893 608540530 /nfs/dbraw/zinc/54/05/30/608540530.db2.gz YPLJIHVJSYYSTP-JTQLQIEISA-N -1 3 333.827 3.529 20 30 EHEDHM O=C1c2ccccc2CCCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475446 608876303 /nfs/dbraw/zinc/87/63/03/608876303.db2.gz GIWRGQPBPQBDKJ-UVTDQMKNSA-N -1 3 334.354 3.608 20 30 EHEDHM O=C1c2ccccc2CCCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475446 608876304 /nfs/dbraw/zinc/87/63/04/608876304.db2.gz GIWRGQPBPQBDKJ-UVTDQMKNSA-N -1 3 334.354 3.608 20 30 EHEDHM CC(=NNc1cccc(Cl)c1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823961919 609159545 /nfs/dbraw/zinc/15/95/45/609159545.db2.gz CCURQYNTSWRUDU-UHFFFAOYSA-N -1 3 348.744 3.634 20 30 EHEDHM CC(=NNc1cccc(Cl)c1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823961919 609159547 /nfs/dbraw/zinc/15/95/47/609159547.db2.gz CCURQYNTSWRUDU-UHFFFAOYSA-N -1 3 348.744 3.634 20 30 EHEDHM CC(C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F)=Cc1ccccc1 ZINC000824385360 609273771 /nfs/dbraw/zinc/27/37/71/609273771.db2.gz RJHSSJFTDLEEKA-BXUXAFCHSA-N -1 3 334.354 3.848 20 30 EHEDHM CC(C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F)=Cc1ccccc1 ZINC000824385360 609273772 /nfs/dbraw/zinc/27/37/72/609273772.db2.gz RJHSSJFTDLEEKA-BXUXAFCHSA-N -1 3 334.354 3.848 20 30 EHEDHM COc1ccccc1OCc1ccc(C([O-])=C(C#N)c2ccccn2)o1 ZINC000049457712 1014179378 /nfs/dbraw/zinc/17/93/78/1014179378.db2.gz ZAJFDYUCZSZKLR-HNNXBMFYSA-N -1 3 348.358 3.752 20 30 EHEDHM CC[C@@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(C)c(F)c1 ZINC001595277754 980308662 /nfs/dbraw/zinc/30/86/62/980308662.db2.gz ZZBRDEGLEIWJJF-MSOLQXFVSA-N -1 3 326.371 3.872 20 30 EHEDHM C=CCN(Cc1c2ccccc2[nH]c1C(=O)[O-])Cc1cccc(C#N)c1 ZINC001588832886 984327381 /nfs/dbraw/zinc/32/73/81/984327381.db2.gz VEOVFDLLECVULM-UHFFFAOYSA-N -1 3 345.402 3.926 20 30 EHEDHM C[C@@H]1[C@@H](C(=O)[N-][C@H](c2c(F)cccc2F)C(F)(F)F)C1(F)F ZINC000461091109 1032260112 /nfs/dbraw/zinc/26/01/12/1032260112.db2.gz BRCXSPFFMZTHTR-ZVCUKBJDSA-N -1 3 329.215 3.586 20 30 EHEDHM COc1ccc(/C=C2/Oc3ccccc3C2=O)c(Br)c1[O-] ZINC000761008888 1032730388 /nfs/dbraw/zinc/73/03/88/1032730388.db2.gz BOAVMDHYMOKLJL-MDWZMJQESA-N -1 3 347.164 3.780 20 30 EHEDHM N#CC(=C([O-])c1ccc(C2SCCCS2)cc1)c1ccncn1 ZINC000760341069 1032879029 /nfs/dbraw/zinc/87/90/29/1032879029.db2.gz QAACDJYQXZKSCS-CQSZACIVSA-N -1 3 341.461 3.835 20 30 EHEDHM Cc1cc(C([O-])=C(C#N)c2ccncn2)c(C)n1-c1cccc(C)c1 ZINC000760356556 1032894780 /nfs/dbraw/zinc/89/47/80/1032894780.db2.gz IIEUEEAKQZDZPG-GOSISDBHSA-N -1 3 330.391 3.683 20 30 EHEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)C1(c2ccc(Cl)cc2)CC1 ZINC000071869390 1020911675 /nfs/dbraw/zinc/91/16/75/1020911675.db2.gz MLDHETYNIZSGST-UHFFFAOYSA-N -1 3 330.697 3.797 20 30 EHEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)C1(c2ccc(Cl)cc2)CC1 ZINC000071869390 1020911681 /nfs/dbraw/zinc/91/16/81/1020911681.db2.gz MLDHETYNIZSGST-UHFFFAOYSA-N -1 3 330.697 3.797 20 30 EHEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(CC)cc1[O-] ZINC000436814002 1021258783 /nfs/dbraw/zinc/25/87/83/1021258783.db2.gz JRTJACVQDADTEX-UHFFFAOYSA-N -1 3 340.379 3.691 20 30 EHEDHM Cc1ccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c([O-])c1 ZINC000436866262 1021303328 /nfs/dbraw/zinc/30/33/28/1021303328.db2.gz XJQQCWSSLQBSPF-UHFFFAOYSA-N -1 3 349.415 3.872 20 30 EHEDHM Cn1c2ccc(N=Cc3ccc(O)c([O-])c3O)cc2nc1C(C)(C)C ZINC000255379955 1022248231 /nfs/dbraw/zinc/24/82/31/1022248231.db2.gz KRYIVOJWNSJXMA-UHFFFAOYSA-N -1 3 339.395 3.738 20 30 EHEDHM 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ZINC000060952100 1138067448 /nfs/dbraw/zinc/06/74/48/1138067448.db2.gz KXMYEKAXBDILAT-UHFFFAOYSA-N -1 3 338.407 3.525 20 30 EHEDHM Cc1ccc(F)c(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1 ZINC000822239743 599113471 /nfs/dbraw/zinc/11/34/71/599113471.db2.gz CAUQULZOBQTNGP-RAXLEYEMSA-N -1 3 334.354 3.527 20 30 EHEDHM Cc1ccc(F)c(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1 ZINC000822239743 599113473 /nfs/dbraw/zinc/11/34/73/599113473.db2.gz CAUQULZOBQTNGP-RAXLEYEMSA-N -1 3 334.354 3.527 20 30 EHEDHM CSc1ccc(C(C)=NNc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000737192403 599129267 /nfs/dbraw/zinc/12/92/67/599129267.db2.gz IXZFIDKCSQCJJC-UHFFFAOYSA-N -1 3 342.403 3.564 20 30 EHEDHM C=CCCC(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000735408785 598358878 /nfs/dbraw/zinc/35/88/78/598358878.db2.gz QQXRNAUKHMAPDJ-UHFFFAOYSA-N -1 3 334.379 3.543 20 30 EHEDHM C=CCCC(=O)OCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000735408785 598358880 /nfs/dbraw/zinc/35/88/80/598358880.db2.gz QQXRNAUKHMAPDJ-UHFFFAOYSA-N -1 3 334.379 3.543 20 30 EHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)cc1 ZINC000822923259 607455139 /nfs/dbraw/zinc/45/51/39/607455139.db2.gz PGVJKTCZIMKHPF-YVMONPNESA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)cc1 ZINC000822923259 607455141 /nfs/dbraw/zinc/45/51/41/607455141.db2.gz PGVJKTCZIMKHPF-YVMONPNESA-N -1 3 328.734 3.555 20 30 EHEDHM N#Cc1ccc([C@H](N[C@H]2CCSc3c(F)cccc32)C(=O)[O-])cc1 ZINC000739106248 600591584 /nfs/dbraw/zinc/59/15/84/600591584.db2.gz LCARGBOMSGDTLY-HOTGVXAUSA-N -1 3 342.395 3.650 20 30 EHEDHM CC(C)Oc1cccc([C@H](C)N[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000736494191 600592981 /nfs/dbraw/zinc/59/29/81/600592981.db2.gz IRVKGDSGXPNDGC-LIRRHRJNSA-N -1 3 338.407 3.822 20 30 EHEDHM C=C(C)COc1cccc(NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000819723128 607488097 /nfs/dbraw/zinc/48/80/97/607488097.db2.gz ZWMNOTDSGQSOAX-UHFFFAOYSA-N -1 3 339.374 3.573 20 30 EHEDHM C=C(C)COc1cccc(NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000819723128 607488099 /nfs/dbraw/zinc/48/80/99/607488099.db2.gz ZWMNOTDSGQSOAX-UHFFFAOYSA-N -1 3 339.374 3.573 20 30 EHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cccc2ccccc21 ZINC000822922511 606302802 /nfs/dbraw/zinc/30/28/02/606302802.db2.gz GXXBYCIOPJFUCZ-CMDGGOBGSA-N -1 3 332.388 3.978 20 30 EHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cccc2ccccc21 ZINC000822922511 606302804 /nfs/dbraw/zinc/30/28/04/606302804.db2.gz GXXBYCIOPJFUCZ-CMDGGOBGSA-N -1 3 332.388 3.978 20 30 EHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc2c(c1)CCCC2 ZINC000822923787 606304782 /nfs/dbraw/zinc/30/47/82/606304782.db2.gz UMSYGOLNWHNUJF-FPLPWBNLSA-N -1 3 336.420 3.703 20 30 EHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc2c(c1)CCCC2 ZINC000822923787 606304784 /nfs/dbraw/zinc/30/47/84/606304784.db2.gz UMSYGOLNWHNUJF-FPLPWBNLSA-N -1 3 336.420 3.703 20 30 EHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc2cc(O)ccc2c1 ZINC000822922505 606392944 /nfs/dbraw/zinc/39/29/44/606392944.db2.gz GSUKIIRMYFBVRG-FNORWQNLSA-N -1 3 348.387 3.683 20 30 EHEDHM N#Cc1ccc(CSc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000822826147 606629900 /nfs/dbraw/zinc/62/99/00/606629900.db2.gz UYDDCHXWWSTENL-UHFFFAOYSA-N -1 3 327.800 3.684 20 30 EHEDHM N#Cc1ccc(CSc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000822826147 606629902 /nfs/dbraw/zinc/62/99/02/606629902.db2.gz UYDDCHXWWSTENL-UHFFFAOYSA-N -1 3 327.800 3.684 20 30 EHEDHM O=C(C=Cc1cccc(Cl)c1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000822928902 607111853 /nfs/dbraw/zinc/11/18/53/607111853.db2.gz MVWHUJWUQVVHQG-CMDGGOBGSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1cccc(Cl)c1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000822928902 607111854 /nfs/dbraw/zinc/11/18/54/607111854.db2.gz MVWHUJWUQVVHQG-CMDGGOBGSA-N -1 3 328.734 3.555 20 30 EHEDHM Clc1ccc(Cl)c(C=NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826351924 607808226 /nfs/dbraw/zinc/80/82/26/607808226.db2.gz HFVKMESOSPLZAU-UHFFFAOYSA-N -1 3 333.182 3.620 20 30 EHEDHM Clc1ccc(Cl)c(C=NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826351924 607808227 /nfs/dbraw/zinc/80/82/27/607808227.db2.gz HFVKMESOSPLZAU-UHFFFAOYSA-N -1 3 333.182 3.620 20 30 EHEDHM C#CC[C@@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccccc1 ZINC000823837265 607936307 /nfs/dbraw/zinc/93/63/07/607936307.db2.gz ACCRNZFGUOTFOV-QGZVFWFLSA-N -1 3 340.390 3.591 20 30 EHEDHM C#CC[C@@H](Nc1cc(-c2nn[n-]n2)c2ccccc2n1)c1ccccc1 ZINC000823837265 607936308 /nfs/dbraw/zinc/93/63/08/607936308.db2.gz ACCRNZFGUOTFOV-QGZVFWFLSA-N -1 3 340.390 3.591 20 30 EHEDHM CC[C@@H]1C[C@H](C)CCC1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825184566 608750618 /nfs/dbraw/zinc/75/06/18/608750618.db2.gz WFWWCMOTCGJOKL-NXEZZACHSA-N -1 3 333.827 3.529 20 30 EHEDHM CC[C@@H]1C[C@H](C)CCC1N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825184566 608750623 /nfs/dbraw/zinc/75/06/23/608750623.db2.gz WFWWCMOTCGJOKL-NXEZZACHSA-N -1 3 333.827 3.529 20 30 EHEDHM O=C(C=CC=Cc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400037 609270439 /nfs/dbraw/zinc/27/04/39/609270439.db2.gz NKWJHKUFZRJRRI-HSFFGMMNSA-N -1 3 338.317 3.597 20 30 EHEDHM O=C(C=CC=Cc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400037 609270441 /nfs/dbraw/zinc/27/04/41/609270441.db2.gz NKWJHKUFZRJRRI-HSFFGMMNSA-N -1 3 338.317 3.597 20 30 EHEDHM O=C(C=Cc1ccc(Cl)c(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400395 609271358 /nfs/dbraw/zinc/27/13/58/609271358.db2.gz YFRJCVQAXZRVBS-QHHAFSJGSA-N -1 3 346.724 3.694 20 30 EHEDHM O=C(C=Cc1ccc(Cl)c(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400395 609271360 /nfs/dbraw/zinc/27/13/60/609271360.db2.gz YFRJCVQAXZRVBS-QHHAFSJGSA-N -1 3 346.724 3.694 20 30 EHEDHM CCc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000825705143 609273530 /nfs/dbraw/zinc/27/35/30/609273530.db2.gz WZHSEEPBVCNATJ-SOFGYWHQSA-N -1 3 328.372 3.526 20 30 EHEDHM CCc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000825705143 609273531 /nfs/dbraw/zinc/27/35/31/609273531.db2.gz WZHSEEPBVCNATJ-SOFGYWHQSA-N -1 3 328.372 3.526 20 30 EHEDHM c1ccc(OCCCCCN=Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819718972 945274254 /nfs/dbraw/zinc/27/42/54/945274254.db2.gz VXHWNBFFORVKDR-UHFFFAOYSA-N -1 3 336.399 3.514 20 30 EHEDHM c1ccc(OCCCCCN=Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819718972 945274257 /nfs/dbraw/zinc/27/42/57/945274257.db2.gz VXHWNBFFORVKDR-UHFFFAOYSA-N -1 3 336.399 3.514 20 30 EHEDHM CCSc1ccc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825674713 947285983 /nfs/dbraw/zinc/28/59/83/947285983.db2.gz RATKMYBICVBUHF-IZZDOVSWSA-N -1 3 336.420 3.875 20 30 EHEDHM CCSc1ccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825674713 947285995 /nfs/dbraw/zinc/28/59/95/947285995.db2.gz RATKMYBICVBUHF-IZZDOVSWSA-N -1 3 336.420 3.875 20 30 EHEDHM C=CCCCCCCCNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001573335983 947494565 /nfs/dbraw/zinc/49/45/65/947494565.db2.gz YHRQRCXEFIPWOQ-UHFFFAOYSA-N -1 3 348.382 3.853 20 30 EHEDHM C=CCCCCCCCNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001573335983 947494573 /nfs/dbraw/zinc/49/45/73/947494573.db2.gz YHRQRCXEFIPWOQ-UHFFFAOYSA-N -1 3 348.382 3.853 20 30 EHEDHM N#Cc1c(Cl)cccc1SCc1ccc(-c2nnn[n-]2)cc1F ZINC000826383252 948181840 /nfs/dbraw/zinc/18/18/40/948181840.db2.gz RKBRZZJYEQBHKM-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM N#Cc1c(Cl)cccc1SCc1ccc(-c2nn[n-]n2)cc1F ZINC000826383252 948181847 /nfs/dbraw/zinc/18/18/47/948181847.db2.gz RKBRZZJYEQBHKM-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM N#Cc1ccc(CSc2cccc(Cl)c2-c2nnn[n-]2)c(F)c1 ZINC000826385281 948188268 /nfs/dbraw/zinc/18/82/68/948188268.db2.gz FKLPOGODYDUHHR-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM N#Cc1ccc(CSc2cccc(Cl)c2-c2nn[n-]n2)c(F)c1 ZINC000826385281 948188271 /nfs/dbraw/zinc/18/82/71/948188271.db2.gz FKLPOGODYDUHHR-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM N#Cc1cccc(CSc2cccc(Cl)c2-c2nnn[n-]2)c1F ZINC000826386518 948190380 /nfs/dbraw/zinc/19/03/80/948190380.db2.gz IFBXGTCLLCKZJA-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM N#Cc1cccc(CSc2cccc(Cl)c2-c2nn[n-]n2)c1F ZINC000826386518 948190388 /nfs/dbraw/zinc/19/03/88/948190388.db2.gz IFBXGTCLLCKZJA-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM COc1cc(OC)cc(C([O-])=C(C#N)c2nc(C(C)C)cs2)c1 ZINC000080456264 1032066654 /nfs/dbraw/zinc/06/66/54/1032066654.db2.gz PFXUNZPDFQDNJH-AWEZNQCLSA-N -1 3 330.409 3.774 20 30 EHEDHM Cc1sc([N-]C(=O)c2occc2Br)c(C#N)c1C ZINC000433516413 1019037134 /nfs/dbraw/zinc/03/71/34/1019037134.db2.gz NVNPMURYXAZBOO-UHFFFAOYSA-N -1 3 325.187 3.844 20 30 EHEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCCC[C@H]2Cc2ccccc2)c1[O-] ZINC000728231173 1016288932 /nfs/dbraw/zinc/28/89/32/1016288932.db2.gz JECUFHLZIPZDDQ-PZBNSZTJSA-N -1 3 338.451 3.808 20 30 EHEDHM COc1cc(C(=O)C=Cc2c[nH]nc2-c2ccccc2F)ccc1[O-] ZINC000255145675 1018251168 /nfs/dbraw/zinc/25/11/68/1018251168.db2.gz KPNANSDSAREDOS-FPLPWBNLSA-N -1 3 338.338 3.826 20 30 EHEDHM COc1cc(C(=O)/C=C\c2cc(F)c(F)c(F)c2)c(OC)cc1[O-] ZINC000255208440 1019567531 /nfs/dbraw/zinc/56/75/31/1019567531.db2.gz ZFSQQLTTYUTHMP-ARJAWSKDSA-N -1 3 338.281 3.723 20 30 EHEDHM Cc1ccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)c([O-])c1 ZINC000436870366 1021312894 /nfs/dbraw/zinc/31/28/94/1021312894.db2.gz DSOGVAYFKXJWFK-UHFFFAOYSA-N -1 3 328.371 3.748 20 30 EHEDHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(C#N)cc2)sc1Cl ZINC000473910834 1022256499 /nfs/dbraw/zinc/25/64/99/1022256499.db2.gz GRFAJTMPYQACLU-JTQLQIEISA-N -1 3 340.857 3.621 20 30 EHEDHM C=CCCC1(CNC(=O)c2cc(OC)c([O-])c(OC)c2)CCCC1 ZINC000617417095 1022702567 /nfs/dbraw/zinc/70/25/67/1022702567.db2.gz LHMDJVIPJUJAFX-UHFFFAOYSA-N -1 3 333.428 3.666 20 30 EHEDHM C=CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2)cc1Cl ZINC000426768121 1023044940 /nfs/dbraw/zinc/04/49/40/1023044940.db2.gz VHBGFUXYTMADHC-QGZVFWFLSA-N -1 3 331.799 3.820 20 30 EHEDHM C=CCOc1ccc(CN[C@H](C(=O)[O-])c2ccsc2)cc1Cl ZINC000426791806 1023050660 /nfs/dbraw/zinc/05/06/60/1023050660.db2.gz JVAPSYHTTVBEGO-HNNXBMFYSA-N -1 3 337.828 3.882 20 30 EHEDHM C=CCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cc1Cl ZINC000426818986 1023064707 /nfs/dbraw/zinc/06/47/07/1023064707.db2.gz ULXKKVCXEKLIGD-KRWDZBQOSA-N -1 3 349.789 3.959 20 30 EHEDHM N#CC(=C([O-])C=Cc1cccnc1)c1nc2ccccc2n1C(F)F ZINC000178987683 1024269459 /nfs/dbraw/zinc/26/94/59/1024269459.db2.gz GMKNRYGFQWLBCA-GWJCSSMESA-N -1 3 338.317 3.716 20 30 EHEDHM C[C@H](C(=O)[N-][C@@H](C#N)c1c(Cl)cccc1Cl)C(F)(F)F ZINC000505540825 1024448356 /nfs/dbraw/zinc/44/83/56/1024448356.db2.gz RZKLKSBWRJQDTC-MUWHJKNJSA-N -1 3 325.117 3.873 20 30 EHEDHM N#CC(=C([O-])c1ccc2cncn2c1)c1nc(-c2ccccc2)cs1 ZINC000342443216 1025520808 /nfs/dbraw/zinc/52/08/08/1025520808.db2.gz CJNKFPPZQGCOPV-INIZCTEOSA-N -1 3 344.399 3.948 20 30 EHEDHM O=c1ccc2cc(N=Cc3cc(Br)ccc3[O-])ccc2[nH]1 ZINC000728437826 1026354893 /nfs/dbraw/zinc/35/48/93/1026354893.db2.gz JXTWFHXWESVHRT-UHFFFAOYSA-N -1 3 343.180 3.747 20 30 EHEDHM N#C[C@@H]([N-]C(=O)CC(F)(F)C(F)F)c1c(Cl)cccc1Cl ZINC000889811381 1027364970 /nfs/dbraw/zinc/36/49/70/1027364970.db2.gz QUOLRCKWZHUDKU-MRVPVSSYSA-N -1 3 343.107 3.965 20 30 EHEDHM Cc1nnc([N-]C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)s1 ZINC000050288498 1027920561 /nfs/dbraw/zinc/92/05/61/1027920561.db2.gz VIFGLPSVTKULAM-UHFFFAOYSA-N -1 3 347.381 3.515 20 30 EHEDHM C=CCN(Cc1cc(Br)ccc1F)[C@H](CCC)C(=O)[O-] ZINC000577117910 1028242449 /nfs/dbraw/zinc/24/24/49/1028242449.db2.gz FPQVDLSUUOSMDW-CQSZACIVSA-N -1 3 344.224 3.830 20 30 EHEDHM COc1cc(C(=O)/C=C/c2cc(Cl)c(OC)c(OC)c2)ccc1[O-] ZINC000008322781 1029110563 /nfs/dbraw/zinc/11/05/63/1029110563.db2.gz RIDADPMCXANBLG-GQCTYLIASA-N -1 3 348.782 3.968 20 30 EHEDHM CC(=O)Nc1ccc(C([O-])=C(C#N)c2nccc3ccccc32)cc1F ZINC000447626491 1030388916 /nfs/dbraw/zinc/38/89/16/1030388916.db2.gz LKIFMOHSHSRQHY-MRXNPFEDSA-N -1 3 347.349 3.822 20 30 EHEDHM CCCN(C)c1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000064025101 1030736841 /nfs/dbraw/zinc/73/68/41/1030736841.db2.gz WGVPWSPNFVJEQE-UHFFFAOYSA-N -1 3 325.372 3.547 20 30 EHEDHM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000448824587 1031728875 /nfs/dbraw/zinc/72/88/75/1031728875.db2.gz OTMHMMBGUBGFSD-UHFFFAOYSA-N -1 3 340.398 3.630 20 30 EHEDHM CCOc1cc(/C=C\C(=O)c2cc(O)cc(O)c2)cc(Cl)c1[O-] ZINC000255632654 1033849483 /nfs/dbraw/zinc/84/94/83/1033849483.db2.gz QFWHQSPLNNUFKX-ARJAWSKDSA-N -1 3 334.755 3.752 20 30 EHEDHM O=C([N-][C@H](c1c(F)cccc1F)C(F)(F)F)[C@@H]1C[C@H]1C(F)(F)F ZINC000450521299 1034473240 /nfs/dbraw/zinc/47/32/40/1034473240.db2.gz XHWPWWIOCJSJGM-OXOINMOOSA-N -1 3 347.205 3.883 20 30 EHEDHM N#CC(=C([O-])c1cnc(-c2ccccc2)nc1)c1nc2ccccc2[nH]1 ZINC000159661633 1034818544 /nfs/dbraw/zinc/81/85/44/1034818544.db2.gz SDXHUGYWWXEFSQ-HNNXBMFYSA-N -1 3 339.358 3.510 20 30 EHEDHM COc1cc(C(=O)/C=C/c2cc(Cl)c3c(c2)OCCO3)ccc1[O-] ZINC000008078528 1036745509 /nfs/dbraw/zinc/74/55/09/1036745509.db2.gz LOVXTLZYLVMLQF-DUXPYHPUSA-N -1 3 346.766 3.722 20 30 EHEDHM CCc1cc2c(CSc3ccc(C#N)cn3)cc(=O)oc2cc1[O-] ZINC000913615224 1037112940 /nfs/dbraw/zinc/11/29/40/1037112940.db2.gz FWXVEYDMHAZNFX-UHFFFAOYSA-N -1 3 338.388 3.620 20 30 EHEDHM N#CC(=C([O-])c1cc2c(s1)CCOC2)c1ccc2ccccc2n1 ZINC000590880742 1037114215 /nfs/dbraw/zinc/11/42/15/1037114215.db2.gz PJZZLCNWEBRPHX-CQSZACIVSA-N -1 3 334.400 3.859 20 30 EHEDHM C=C[C@H](CC(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1)c1ccccc1 ZINC000494089243 1037831850 /nfs/dbraw/zinc/83/18/50/1037831850.db2.gz LIYKNISRIGGATB-CYBMUJFWSA-N -1 3 349.390 3.648 20 30 EHEDHM O=C1OCCN1c1cc(N=Cc2cc(Cl)ccc2[O-])ccc1F ZINC000492171926 1038077357 /nfs/dbraw/zinc/07/73/57/1038077357.db2.gz GHOIESUAEOYKKR-UHFFFAOYSA-N -1 3 334.734 3.892 20 30 EHEDHM COc1ccc(-c2nc(C([O-])=C(C#N)c3ccccn3)cs2)cc1 ZINC000041492915 1038100491 /nfs/dbraw/zinc/10/04/91/1038100491.db2.gz AERJGINGCQCZJY-AWEZNQCLSA-N -1 3 335.388 3.704 20 30 EHEDHM Cc1nc(Cc2ccccc2)sc1C([O-])=C(C#N)c1ccccn1 ZINC000041480338 1038100658 /nfs/dbraw/zinc/10/06/58/1038100658.db2.gz FLZADZCRHRGUPX-OAHLLOKOSA-N -1 3 333.416 3.927 20 30 EHEDHM C=CCOc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1OC ZINC000041517978 1038115429 /nfs/dbraw/zinc/11/54/29/1038115429.db2.gz NLNCKRGDMURSGD-CYBMUJFWSA-N -1 3 328.393 3.515 20 30 EHEDHM CCOCc1nc(C)cc(N=NC(C)c2ccc(Cl)cc2[O-])n1 ZINC000905503170 1038919162 /nfs/dbraw/zinc/91/91/62/1038919162.db2.gz PNZSECJPXFTPNP-UHFFFAOYSA-N -1 3 334.807 3.517 20 30 EHEDHM 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Cc1ncc(CO)c(/C=N\CCc2ccc(Cl)cc2Cl)c1[O-] ZINC000747707008 1136080131 /nfs/dbraw/zinc/08/01/31/1136080131.db2.gz BOOPIIWMZUUXQO-UWVJOHFNSA-N -1 3 339.222 3.556 20 30 EHEDHM N#Cc1cccc(OCCOC(=O)c2cc3cc(Cl)sc3[n-]2)c1 ZINC000811394603 1136081863 /nfs/dbraw/zinc/08/18/63/1136081863.db2.gz WGBRBVNYANUEBE-UHFFFAOYSA-N -1 3 346.795 3.990 20 30 EHEDHM C#C[C@@H](NCc1cccc(Br)c1[O-])c1ccc(F)cc1 ZINC000812794301 1136251266 /nfs/dbraw/zinc/25/12/66/1136251266.db2.gz YKHSXABYGRRTCN-OAHLLOKOSA-N -1 3 334.188 3.758 20 30 EHEDHM CON=Cc1ccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)cc1 ZINC000813211784 1136302941 /nfs/dbraw/zinc/30/29/41/1136302941.db2.gz QFEYSYXNGDDIKC-CQSZACIVSA-N -1 3 347.296 3.571 20 30 EHEDHM CC(=[NH+][N-]c1ccnc(Cl)c1)c1ccc(N2CCCC2)cc1[O-] ZINC000853395037 1136530245 /nfs/dbraw/zinc/53/02/45/1136530245.db2.gz IWITUOSBGFLJEF-UHFFFAOYSA-N -1 3 330.819 3.877 20 30 EHEDHM C=CCC(F)(F)C(=O)[N-][C@H](C)c1ccc(F)c(Br)c1 ZINC000815521900 1136608577 /nfs/dbraw/zinc/60/85/77/1136608577.db2.gz 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OMBDDKBNEVAIEK-UHFFFAOYSA-N -1 3 341.219 3.974 20 30 EHEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc3oc(=O)[nH]c3c2)s1 ZINC000347774034 1129725998 /nfs/dbraw/zinc/72/59/98/1129725998.db2.gz IASTXHIIPNZANE-SNVBAGLBSA-N -1 3 341.392 3.777 20 30 EHEDHM O=C(c1c[nH]c(C2CC2)n1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001119616123 1130735276 /nfs/dbraw/zinc/73/52/76/1130735276.db2.gz DWTJQUFPTIBWQC-UHFFFAOYSA-N -1 3 326.183 3.626 20 30 EHEDHM [O-]c1ccc(Br)cc1/C=N/C[C@@H]1OCCc2ccccc21 ZINC000733081002 1130988981 /nfs/dbraw/zinc/98/89/81/1130988981.db2.gz JRWZSBFTTDTFRP-AEUYPJEVSA-N -1 3 346.224 3.888 20 30 EHEDHM CCO[C@@H]1C[C@H](/N=C\c2cc(Br)ccc2[O-])C12CCC2 ZINC000741464967 1131605185 /nfs/dbraw/zinc/60/51/85/1131605185.db2.gz RSSNHLSQCCCNME-CKUJSUPYSA-N -1 3 338.245 3.921 20 30 EHEDHM CC1(C)[C@H](/N=C/c2cc(Br)ccc2[O-])[C@@H]2CCCO[C@@H]21 ZINC000741464226 1131605571 /nfs/dbraw/zinc/60/55/71/1131605571.db2.gz MMNABGAHOSMZCC-SQZKDSCKSA-N -1 3 338.245 3.777 20 30 EHEDHM CC(C)CC[C@@H]1CCCC1=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000743448595 1131920389 /nfs/dbraw/zinc/92/03/89/1131920389.db2.gz WUVHPXDWYWDUCJ-KRWDZBQOSA-N -1 3 336.501 3.741 20 30 EHEDHM C=C(Br)CN(CC)Cc1cc(Br)ccc1[O-] ZINC000743870890 1131996071 /nfs/dbraw/zinc/99/60/71/1131996071.db2.gz GAGJBTCUCMLHAM-UHFFFAOYSA-N -1 3 349.066 3.885 20 30 EHEDHM CCOc1cc(CN=Nc2oc(C(C)C)nc2C#N)cc(Cl)c1[O-] ZINC000745612061 1132284789 /nfs/dbraw/zinc/28/47/89/1132284789.db2.gz MJQXJNOZVTXLFR-UHFFFAOYSA-N -1 3 348.790 3.873 20 30 EHEDHM COc1ccc(Cn2cc(Nc3cc(C#N)ccc3[O-])c(C)n2)cc1 ZINC001174578792 1132405905 /nfs/dbraw/zinc/40/59/05/1132405905.db2.gz YDEOBGYALKTZSM-UHFFFAOYSA-N -1 3 334.379 3.569 20 30 EHEDHM Cc1cc(CC(=O)Nc2ccc([O-])c(C#N)c2)cc(C(F)(F)F)c1 ZINC001182673142 1133713820 /nfs/dbraw/zinc/71/38/20/1133713820.db2.gz AOXIMACOLAUVKO-UHFFFAOYSA-N -1 3 334.297 3.772 20 30 EHEDHM O=C(OCC#Cc1ccc(C(F)(F)F)cc1)c1cc2occc2[n-]1 ZINC000786033881 1133795101 /nfs/dbraw/zinc/79/51/01/1133795101.db2.gz URGJESRIJHBRFJ-UHFFFAOYSA-N -1 3 333.265 3.988 20 30 EHEDHM CCCCCCN([O-])C(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC001184305539 1133919524 /nfs/dbraw/zinc/91/95/24/1133919524.db2.gz LCHHEFVIELTJTL-UHFFFAOYSA-N -1 3 343.349 3.853 20 30 EHEDHM N#CCc1ccc(COC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000787851263 1134047665 /nfs/dbraw/zinc/04/76/65/1134047665.db2.gz VIXFQOCRSAIOSC-UHFFFAOYSA-N -1 3 327.355 3.663 20 30 EHEDHM COCc1cc(N=Cc2cc(Cl)ccc2[O-])cc(C(=O)OC)c1 ZINC000793670464 1134979016 /nfs/dbraw/zinc/97/90/16/1134979016.db2.gz XSJFRNMQECTAJG-UHFFFAOYSA-N -1 3 333.771 3.729 20 30 EHEDHM CCc1c(Br)cccc1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001192423402 1135012372 /nfs/dbraw/zinc/01/23/72/1135012372.db2.gz WMKRHNDDZJGTNJ-UHFFFAOYSA-N -1 3 345.196 3.841 20 30 EHEDHM N#Cc1sc(NCc2ccc([O-])c(Br)c2)nc1Cl ZINC000804560964 1135120318 /nfs/dbraw/zinc/12/03/18/1135120318.db2.gz OUPDZDSOQPHYLI-UHFFFAOYSA-N -1 3 344.621 3.748 20 30 EHEDHM COc1cccc(-c2cc(C(=O)Nc3ccc([O-])c(C#N)c3)c[nH]2)c1 ZINC001193853286 1135195683 /nfs/dbraw/zinc/19/56/83/1135195683.db2.gz ANZCWJUOVBBMPX-UHFFFAOYSA-N -1 3 333.347 3.520 20 30 EHEDHM Cc1nn(C)c2sc(C(=O)/C=C\c3c(F)ccc([O-])c3F)cc12 ZINC000806578776 1135455560 /nfs/dbraw/zinc/45/55/60/1135455560.db2.gz KVVTXYLRVBDSFL-HYXAFXHYSA-N -1 3 334.347 3.823 20 30 EHEDHM CC[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)c1ccc(Cl)cc1 ZINC000811188214 1136056982 /nfs/dbraw/zinc/05/69/82/1136056982.db2.gz DFYXDPBSMQBCEU-INIZCTEOSA-N -1 3 343.766 3.736 20 30 EHEDHM COC(=O)c1ccc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@H]2C)cc1 ZINC000007333216 1136227446 /nfs/dbraw/zinc/22/74/46/1136227446.db2.gz KYIGSDKCHVOIHQ-AVMBBCFPSA-N -1 3 326.323 3.701 20 30 EHEDHM [O-]c1ccc(Br)cc1/C=N/CCC1SCCS1 ZINC000852998746 1136496847 /nfs/dbraw/zinc/49/68/47/1136496847.db2.gz QSUDEYZGMJSAPK-RIYZIHGNSA-N -1 3 332.288 3.770 20 30 EHEDHM CCc1nc2c(s1)C(=N[N-]c1nc3cccnc3s1)CCC2 ZINC000857218922 1136854612 /nfs/dbraw/zinc/85/46/12/1136854612.db2.gz SJJYNELXYXTWSU-UHFFFAOYSA-N -1 3 329.454 3.863 20 30 EHEDHM CCCCCC(C)=Nn1c(=S)[n-]nc1[C@@H]1COc2ccccc2O1 ZINC000818235882 1136868362 /nfs/dbraw/zinc/86/83/62/1136868362.db2.gz VUUBDQHEBUQHDO-HNNXBMFYSA-N -1 3 346.456 3.884 20 30 EHEDHM N#Cc1ccc(F)c(C(=O)[N-]c2nnc(C3CCCCC3)s2)c1 ZINC000823120989 1137087915 /nfs/dbraw/zinc/08/79/15/1137087915.db2.gz RJEYGWBBABMRDV-UHFFFAOYSA-N -1 3 330.388 3.849 20 30 EHEDHM CCO[C@H]1CC(N=Nc2nc3ccccc3[n-]c2=S)[C@@H]1SC ZINC000863125332 1137170972 /nfs/dbraw/zinc/17/09/72/1137170972.db2.gz SZZZPRPUJIFGHL-STQMWFEESA-N -1 3 334.470 3.601 20 30 EHEDHM CO[C@H]1C[C@H]2CC(N=Nc3nc4ccccc4[n-]c3=S)C[C@H]2C1 ZINC000863125292 1137171006 /nfs/dbraw/zinc/17/10/06/1137171006.db2.gz RWKDEZDZSZHOFP-PJXYFTJBSA-N -1 3 328.441 3.895 20 30 EHEDHM Cc1c(N=NC2C[C@@H](C)N(Cc3ccccc3)C2)cccc1C(=O)[O-] ZINC000844624437 1137240393 /nfs/dbraw/zinc/24/03/93/1137240393.db2.gz PYCWWBNSQLGAPV-CQSZACIVSA-N -1 3 337.423 3.756 20 30 EHEDHM COc1cc(C=CC(=O)c2ccc3[nH]c(=O)oc3c2)cc(Cl)c1[O-] ZINC000794713077 1137242443 /nfs/dbraw/zinc/24/24/43/1137242443.db2.gz BWVQXZPYIINJGU-DJWKRKHSSA-N -1 3 345.738 3.797 20 30 EHEDHM C[C@H](C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1)c1ccccc1F ZINC000845838465 1137314780 /nfs/dbraw/zinc/31/47/80/1137314780.db2.gz NQBXFADNDVDMOF-WMLDXEAASA-N -1 3 335.378 3.939 20 30 EHEDHM CC[C@@H](CC(F)(F)F)C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1 ZINC000845842099 1137315427 /nfs/dbraw/zinc/31/54/27/1137315427.db2.gz DGRPEOSOQNCCBS-GXTWGEPZSA-N -1 3 337.341 3.975 20 30 EHEDHM COc1ccc(C(=O)/C=C\c2c(F)ccc([O-])c2F)cc1NC(C)=O ZINC000794936825 1137368034 /nfs/dbraw/zinc/36/80/34/1137368034.db2.gz ZYGSXTQFTMJHID-XQRVVYSFSA-N -1 3 347.317 3.534 20 30 EHEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1ccc(N2CCCC2=O)cc1 ZINC000794940320 1137368385 /nfs/dbraw/zinc/36/83/85/1137368385.db2.gz XIUZIDSMSKBZOK-VQHVLOKHSA-N -1 3 343.329 3.693 20 30 EHEDHM CCOc1ccc(/C=C/C(=O)c2cc(OC)c([O-])cc2OC)cc1 ZINC000122498637 1137444379 /nfs/dbraw/zinc/44/43/79/1137444379.db2.gz CTIKXRGHMOIBPO-JXMROGBWSA-N -1 3 328.364 3.704 20 30 EHEDHM CC1=Nc2ccc3cc(N[C@@H]4C(=O)N([O-])C[C@@H]4C)ccc3c2C1(C)C ZINC001171365523 1137457662 /nfs/dbraw/zinc/45/76/62/1137457662.db2.gz AXHDSBIESWWIHB-VOJFVSQTSA-N -1 3 337.423 3.871 20 30 EHEDHM Cc1cc(C(C#N)=C([O-])c2cc(Cl)nc(C(C)(C)C)c2)nc(C)n1 ZINC000870133734 1137478364 /nfs/dbraw/zinc/47/83/64/1137478364.db2.gz CLCOIZQWGAZOEN-ZDUSSCGKSA-N -1 3 342.830 3.929 20 30 EHEDHM CC(C)(C)OC(=O)C=Cc1cc(C([O-])=C(C#N)c2ccccn2)co1 ZINC000873498015 1137601045 /nfs/dbraw/zinc/60/10/45/1137601045.db2.gz RBIAHALRJUVOBR-MVGZEHJDSA-N -1 3 338.363 3.520 20 30 EHEDHM CCOC(=O)N1CCC([C@@H](C)/N=C\c2cc(Cl)ccc2[O-])CC1 ZINC000777400952 1140063366 /nfs/dbraw/zinc/06/33/66/1140063366.db2.gz HPGOCZMEIBISKH-ZDFPAGSVSA-N -1 3 338.835 3.722 20 30 EHEDHM CCCCCCCCNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000269935507 1141160939 /nfs/dbraw/zinc/16/09/39/1141160939.db2.gz HPPOKRPXLCRMMM-UHFFFAOYSA-N -1 3 331.460 3.685 20 30 EHEDHM CCCCCC[C@@H](CC)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736448284 599196847 /nfs/dbraw/zinc/19/68/47/599196847.db2.gz WHXWKBHBFNQOLG-CYBMUJFWSA-N -1 3 340.431 3.673 20 30 EHEDHM CCCCCC[C@@H](CC)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736448284 599196849 /nfs/dbraw/zinc/19/68/49/599196849.db2.gz WHXWKBHBFNQOLG-CYBMUJFWSA-N -1 3 340.431 3.673 20 30 EHEDHM C=CCCC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735408224 598552531 /nfs/dbraw/zinc/55/25/31/598552531.db2.gz IILIOMKWXZWPOS-UHFFFAOYSA-N -1 3 335.367 3.564 20 30 EHEDHM C=CCCC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735408224 598552533 /nfs/dbraw/zinc/55/25/33/598552533.db2.gz IILIOMKWXZWPOS-UHFFFAOYSA-N -1 3 335.367 3.564 20 30 EHEDHM C=CCC[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000819734746 607379905 /nfs/dbraw/zinc/37/99/05/607379905.db2.gz SHEISMNLKOOMII-QGZVFWFLSA-N -1 3 348.410 3.696 20 30 EHEDHM C=CCC[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819734746 607379907 /nfs/dbraw/zinc/37/99/07/607379907.db2.gz SHEISMNLKOOMII-QGZVFWFLSA-N -1 3 348.410 3.696 20 30 EHEDHM CN(Cc1cc(Cl)ccc1OCC#N)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737451132 600214964 /nfs/dbraw/zinc/21/49/64/600214964.db2.gz JLXIOYDGLLFRBF-QGZVFWFLSA-N -1 3 344.798 3.500 20 30 EHEDHM CCCCOc1cccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000736999392 600594708 /nfs/dbraw/zinc/59/47/08/600594708.db2.gz AQBDQOZTAMCHLG-LJQANCHMSA-N -1 3 338.407 3.653 20 30 EHEDHM CC(C)Oc1cccc([C@H](C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000827058353 601300590 /nfs/dbraw/zinc/30/05/90/601300590.db2.gz CLNJCUAOSSVLGV-LIRRHRJNSA-N -1 3 338.407 3.822 20 30 EHEDHM CC(C)Oc1cccc([C@@H](C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000827058351 601300620 /nfs/dbraw/zinc/30/06/20/601300620.db2.gz CLNJCUAOSSVLGV-KUHUBIRLSA-N -1 3 338.407 3.822 20 30 EHEDHM CCc1oc(C(=O)[O-])cc1CN(CC)[C@H](C)c1ccc(C#N)cc1 ZINC000830362847 601413391 /nfs/dbraw/zinc/41/33/91/601413391.db2.gz KDFIRQWMBHDYFX-CYBMUJFWSA-N -1 3 326.396 3.995 20 30 EHEDHM C[C@@H](C(=O)[O-])[C@H](NCC#Cc1ccc(Cl)cc1)c1ccccc1 ZINC000826045787 601654252 /nfs/dbraw/zinc/65/42/52/601654252.db2.gz ZDWNJUZRRPFJAM-KDOFPFPSSA-N -1 3 327.811 3.743 20 30 EHEDHM C=CCC(CC=C)C(=O)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819733693 606941303 /nfs/dbraw/zinc/94/13/03/606941303.db2.gz AEIIEKIIOJYODW-UHFFFAOYSA-N -1 3 339.443 3.624 20 30 EHEDHM C=CCC(CC=C)C(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819733693 606941304 /nfs/dbraw/zinc/94/13/04/606941304.db2.gz AEIIEKIIOJYODW-UHFFFAOYSA-N -1 3 339.443 3.624 20 30 EHEDHM C[C@H](SCc1cc(F)ccc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000820548860 607034389 /nfs/dbraw/zinc/03/43/89/607034389.db2.gz GWEJMIHPMPLASQ-NSHDSACASA-N -1 3 339.399 3.872 20 30 EHEDHM C[C@H](SCc1cc(F)ccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000820548860 607034392 /nfs/dbraw/zinc/03/43/92/607034392.db2.gz GWEJMIHPMPLASQ-NSHDSACASA-N -1 3 339.399 3.872 20 30 EHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000826401787 607884038 /nfs/dbraw/zinc/88/40/38/607884038.db2.gz GTWFGRBRXQUJJO-HJWRWDBZSA-N -1 3 344.296 3.782 20 30 EHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1 ZINC000826401787 607884039 /nfs/dbraw/zinc/88/40/39/607884039.db2.gz GTWFGRBRXQUJJO-HJWRWDBZSA-N -1 3 344.296 3.782 20 30 EHEDHM O=C1c2cc(Cl)ccc2CCC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826475503 608048175 /nfs/dbraw/zinc/04/81/75/608048175.db2.gz IFJXYNIBVOCWRF-NTEUORMPSA-N -1 3 336.782 3.733 20 30 EHEDHM O=C1c2cc(Cl)ccc2CCC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826475503 608048176 /nfs/dbraw/zinc/04/81/76/608048176.db2.gz IFJXYNIBVOCWRF-NTEUORMPSA-N -1 3 336.782 3.733 20 30 EHEDHM O=C1c2cccc3c2[C@H](CCC3)C1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000826475511 608109544 /nfs/dbraw/zinc/10/95/44/608109544.db2.gz IHVQIJRHHCVZNA-SLVCOGOPSA-N -1 3 346.365 3.706 20 30 EHEDHM O=C1c2cccc3c2[C@H](CCC3)C1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000826475511 608109545 /nfs/dbraw/zinc/10/95/45/608109545.db2.gz IHVQIJRHHCVZNA-SLVCOGOPSA-N -1 3 346.365 3.706 20 30 EHEDHM CSc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000826230380 608876832 /nfs/dbraw/zinc/87/68/32/608876832.db2.gz QDLPWSWFLAVPHT-OQFOIZHKSA-N -1 3 340.383 3.624 20 30 EHEDHM CSc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000826230380 608876834 /nfs/dbraw/zinc/87/68/34/608876834.db2.gz QDLPWSWFLAVPHT-OQFOIZHKSA-N -1 3 340.383 3.624 20 30 EHEDHM O=C(C=Cc1ccc(Cl)c(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400394 609271248 /nfs/dbraw/zinc/27/12/48/609271248.db2.gz YFRJCVQAXZRVBS-KXFIGUGUSA-N -1 3 346.724 3.694 20 30 EHEDHM O=C(C=Cc1ccc(Cl)c(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400394 609271250 /nfs/dbraw/zinc/27/12/50/609271250.db2.gz YFRJCVQAXZRVBS-KXFIGUGUSA-N -1 3 346.724 3.694 20 30 EHEDHM C[C@@H]1Sc2sccc2C(=O)C1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822000606 945914534 /nfs/dbraw/zinc/91/45/34/945914534.db2.gz PJLPRLVCNACNMW-AUEGDVLESA-N -1 3 346.462 3.750 20 30 EHEDHM C[C@@H]1Sc2sccc2C(=O)C1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822000606 945914546 /nfs/dbraw/zinc/91/45/46/945914546.db2.gz PJLPRLVCNACNMW-AUEGDVLESA-N -1 3 346.462 3.750 20 30 EHEDHM C=CCCC[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001136497528 948475044 /nfs/dbraw/zinc/47/50/44/948475044.db2.gz MSBIKCZOWXDKMS-SFHVURJKSA-N -1 3 347.422 3.945 20 30 EHEDHM C=CCCC[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001136497528 948475049 /nfs/dbraw/zinc/47/50/49/948475049.db2.gz MSBIKCZOWXDKMS-SFHVURJKSA-N -1 3 347.422 3.945 20 30 EHEDHM Cc1cc(NC(=O)C(C)(C)C)sc1C([O-])=C(C#N)c1ccccn1 ZINC000049456752 1014179228 /nfs/dbraw/zinc/17/92/28/1014179228.db2.gz PGDGJZIGUXAATI-GFCCVEGCSA-N -1 3 341.436 3.926 20 30 EHEDHM N#CC(=C([O-])c1ccc(C(F)F)cc1F)c1nnc2n1CCCCC2 ZINC000654972091 1014699530 /nfs/dbraw/zinc/69/95/30/1014699530.db2.gz BERLYJAUBCWQQV-GFCCVEGCSA-N -1 3 348.328 3.571 20 30 EHEDHM C[C@H](/N=C\c1cc(Cl)ccc1[O-])c1ccc2c(c1)CC(=O)N2C ZINC000728226534 1016124484 /nfs/dbraw/zinc/12/44/84/1016124484.db2.gz SHBUXJAJKPTMAA-ASKIBSTCSA-N -1 3 328.799 3.745 20 30 EHEDHM CCc1ccc(C(=O)N2CCC(Nc3ccccc3C#N)CC2)c([O-])c1 ZINC000602184265 1032697626 /nfs/dbraw/zinc/69/76/26/1032697626.db2.gz USJYMZATNLMWFT-UHFFFAOYSA-N -1 3 349.434 3.543 20 30 EHEDHM N#Cc1ccc(C2=CCN(C(=O)c3cc([O-])ccc3Cl)CC2)cc1 ZINC000365636063 1018100202 /nfs/dbraw/zinc/10/02/02/1018100202.db2.gz PVFQZBJLFSAFFV-UHFFFAOYSA-N -1 3 338.794 3.847 20 30 EHEDHM CCCCc1nc2ccc(NC(=O)c3cc([O-])cc(C#N)c3)cc2[nH]1 ZINC000614375276 1018890272 /nfs/dbraw/zinc/89/02/72/1018890272.db2.gz VYTFCRQFOSCWMF-UHFFFAOYSA-N -1 3 334.379 3.735 20 30 EHEDHM C=C(C)CN(Cc1ccccc1)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000280228178 1020212690 /nfs/dbraw/zinc/21/26/90/1020212690.db2.gz XKQCNYCJIYYEPE-UHFFFAOYSA-N -1 3 341.407 3.628 20 30 EHEDHM CCSCc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000055912307 1021890538 /nfs/dbraw/zinc/89/05/38/1021890538.db2.gz UTEXQJGDXJVVEK-UHFFFAOYSA-N -1 3 330.335 3.713 20 30 EHEDHM CCSCc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000055912307 1021890554 /nfs/dbraw/zinc/89/05/54/1021890554.db2.gz UTEXQJGDXJVVEK-UHFFFAOYSA-N -1 3 330.335 3.713 20 30 EHEDHM N#C[C@@]1(C(=O)Nc2cc(Br)ccc2[O-])CC12CCCC2 ZINC000294794920 1023102171 /nfs/dbraw/zinc/10/21/71/1023102171.db2.gz BCRSHUDIZONJDH-OAHLLOKOSA-N -1 3 335.201 3.567 20 30 EHEDHM C=C(C)COc1cc(CN[C@H](C(=O)[O-])c2ccccc2)ccc1OC ZINC000277115112 1023774493 /nfs/dbraw/zinc/77/44/93/1023774493.db2.gz AOWQJBGRAPJSQW-IBGZPJMESA-N -1 3 341.407 3.566 20 30 EHEDHM C=CCOC(=O)[C@@H](Nc1[n-]c(=O)c(Cl)cc1Cl)[C@@H](C)CC ZINC001167955174 1023988187 /nfs/dbraw/zinc/98/81/87/1023988187.db2.gz KBNYMLZKCITXGM-KWQFWETISA-N -1 3 333.215 3.650 20 30 EHEDHM C[C@@H](C(=O)[N-][C@H](C#N)c1c(Cl)cccc1Cl)C(F)(F)F ZINC000505540824 1024447345 /nfs/dbraw/zinc/44/73/45/1024447345.db2.gz RZKLKSBWRJQDTC-IMTBSYHQSA-N -1 3 325.117 3.873 20 30 EHEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)c(C)c1 ZINC000435136629 1024647856 /nfs/dbraw/zinc/64/78/56/1024647856.db2.gz FOYYOZCQKZPHEX-UHFFFAOYSA-N -1 3 344.436 3.763 20 30 EHEDHM CC[C@H](c1nnc([N-]C(=O)c2cnccc2C#N)s1)c1ccccc1 ZINC000342045437 1025143426 /nfs/dbraw/zinc/14/34/26/1025143426.db2.gz LVPXDYVARMQUPI-AWEZNQCLSA-N -1 3 349.419 3.599 20 30 EHEDHM CC(C)(C)OC(=O)Nc1cccc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000041493112 1025472417 /nfs/dbraw/zinc/47/24/17/1025472417.db2.gz WGAKDQQOMCXYFZ-HNNXBMFYSA-N -1 3 337.379 3.919 20 30 EHEDHM Cc1ccc(Cc2nc(C([O-])=C(C#N)c3ccccn3)cs2)cc1 ZINC000131185536 1027748513 /nfs/dbraw/zinc/74/85/13/1027748513.db2.gz DFVDLTNEOAZFNH-HNNXBMFYSA-N -1 3 333.416 3.927 20 30 EHEDHM N#CCCC[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000458426102 1029222869 /nfs/dbraw/zinc/22/28/69/1029222869.db2.gz SYWZUTHGYJSXLY-KRWDZBQOSA-N -1 3 341.386 3.766 20 30 EHEDHM CC(C)Oc1ccc(C([O-])=C(C#N)c2nccc3ccccc32)nc1 ZINC000447632565 1030372323 /nfs/dbraw/zinc/37/23/23/1030372323.db2.gz LKANKPNRCOXFKT-KRWDZBQOSA-N -1 3 331.375 3.907 20 30 EHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cc(C)c(C)o1 ZINC000128729331 1030716231 /nfs/dbraw/zinc/71/62/31/1030716231.db2.gz FLCVFIYBPSSBFC-MRXNPFEDSA-N -1 3 338.407 3.982 20 30 EHEDHM CC[C@H](NCc1nc2c(s1)CCCC2)c1cccc(C#N)c1[O-] ZINC000926918421 1031322415 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EHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)c(Cl)c1 ZINC000169248442 1034103328 /nfs/dbraw/zinc/10/33/28/1034103328.db2.gz YEBQZANJOKQIQR-UHFFFAOYSA-N -1 3 327.192 3.666 20 30 EHEDHM N#CC(=C([O-])c1cnn(-c2ccccc2)c1)c1ccc2ccccc2n1 ZINC000613290830 1035500211 /nfs/dbraw/zinc/50/02/11/1035500211.db2.gz NMDXCWADEDVYBS-SFHVURJKSA-N -1 3 338.370 3.911 20 30 EHEDHM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2C)c1 ZINC000589439300 1036414024 /nfs/dbraw/zinc/41/40/24/1036414024.db2.gz YIAOBVOVZGJITC-UHFFFAOYSA-N -1 3 347.436 3.759 20 30 EHEDHM Cc1csc(C(C#N)=C([O-])c2cc(C)n(C3CCOCC3)c2C)n1 ZINC000659010765 1036763162 /nfs/dbraw/zinc/76/31/62/1036763162.db2.gz ZKDJWGCSIJAMPL-MRXNPFEDSA-N -1 3 343.452 3.711 20 30 EHEDHM C=CCCC[C@H](C)Sc1nc2nc(C)cc(C(=O)OC)c2c(=O)[n-]1 ZINC000462403851 1036932913 /nfs/dbraw/zinc/93/29/13/1036932913.db2.gz SPSOMDPSZCTGBC-NSHDSACASA-N -1 3 347.440 3.662 20 30 EHEDHM CCCCCCCCC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000122774638 1037774530 /nfs/dbraw/zinc/77/45/30/1037774530.db2.gz UBLGXBLTCDIGQZ-UHFFFAOYSA-N -1 3 326.462 3.747 20 30 EHEDHM CCc1nnsc1C(=O)[N-]c1ccccc1S[C@@H](C)CC#N ZINC000066801768 1038223255 /nfs/dbraw/zinc/22/32/55/1038223255.db2.gz FPOKLSKCPKXNQF-JTQLQIEISA-N -1 3 332.454 3.747 20 30 EHEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)cnn1-c1ccc(Cl)cc1 ZINC000041482303 1038736375 /nfs/dbraw/zinc/73/63/75/1038736375.db2.gz WLPOIFMHGXLNHF-HNNXBMFYSA-N -1 3 336.782 3.719 20 30 EHEDHM N#CC(=C([O-])c1ccc(-n2cccn2)cc1)c1nc2ccccc2s1 ZINC000041503089 1038814292 /nfs/dbraw/zinc/81/42/92/1038814292.db2.gz UVUHILDZQRCCMK-HNNXBMFYSA-N -1 3 344.399 3.972 20 30 EHEDHM C=CC[C@H](CC)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000907963570 1040246152 /nfs/dbraw/zinc/24/61/52/1040246152.db2.gz VGZYZNRJQCPJHV-JTQLQIEISA-N -1 3 325.434 3.575 20 30 EHEDHM C=CCCC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509781100 1040806511 /nfs/dbraw/zinc/80/65/11/1040806511.db2.gz DBTXVFXKRWLNOQ-UHFFFAOYSA-N -1 3 327.755 3.603 20 30 EHEDHM N#Cc1ccc(CCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC000125371213 1041963001 /nfs/dbraw/zinc/96/30/01/1041963001.db2.gz NLIFJBSKLGAREV-UHFFFAOYSA-N -1 3 334.297 3.854 20 30 EHEDHM CN(C)c1cc(C#N)cc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])c1 ZINC000343895978 1042657736 /nfs/dbraw/zinc/65/77/36/1042657736.db2.gz IHUAMZZTZSDWJM-UHFFFAOYSA-N -1 3 349.312 3.601 20 30 EHEDHM N#CCCCOc1cccc(CN[C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000585731844 1043013797 /nfs/dbraw/zinc/01/37/97/1043013797.db2.gz NHGUAIKZNMPSRK-INIZCTEOSA-N -1 3 344.436 3.736 20 30 EHEDHM O=C(c1cc(-c2cccnc2)on1)N([O-])Cc1cccc2ccccc21 ZINC001649070163 1128135073 /nfs/dbraw/zinc/13/50/73/1128135073.db2.gz UDNLNNYLQAGWPU-UHFFFAOYSA-N -1 3 345.358 3.921 20 30 EHEDHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2cccc(C#N)c2)sc1Cl ZINC000616073318 1128405259 /nfs/dbraw/zinc/40/52/59/1128405259.db2.gz AAELUQYJKDIBPU-SNVBAGLBSA-N -1 3 340.857 3.621 20 30 EHEDHM COc1cc(C(=O)/C=C\c2cnc(Cl)c(C)c2)c(OC)cc1[O-] ZINC000763105528 1121682830 /nfs/dbraw/zinc/68/28/30/1121682830.db2.gz LQQNMUGJPKTHOY-PLNGDYQASA-N -1 3 333.771 3.662 20 30 EHEDHM CC[C@@H](/N=C/c1cc(Br)ccc1[O-])C(=O)OC(C)(C)C ZINC000763096986 1121683418 /nfs/dbraw/zinc/68/34/18/1121683418.db2.gz LXLVJXQKLZAORK-UDPFGDFPSA-N -1 3 342.233 3.694 20 30 EHEDHM O=C1Nc2cc([O-])ccc2C1=NN=C1c2ccccc2-c2ccccc21 ZINC000915957264 1121992042 /nfs/dbraw/zinc/99/20/42/1121992042.db2.gz RNZZVAOZUPLEJV-UHFFFAOYSA-N -1 3 339.354 3.566 20 30 EHEDHM Cc1ncc(CO)c(/C=N\CC(C)(C)c2ccc(Cl)cc2)c1[O-] ZINC000917558049 1122630873 /nfs/dbraw/zinc/63/08/73/1122630873.db2.gz LHDIXVFWAOYRMB-UKWGHVSLSA-N -1 3 332.831 3.638 20 30 EHEDHM N#Cc1c(F)cncc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168524278 1122948578 /nfs/dbraw/zinc/94/85/78/1122948578.db2.gz YSZKJXHGKUNBBO-UHFFFAOYSA-N -1 3 328.734 3.612 20 30 EHEDHM Cc1ccccc1-c1cc(=NC(=O)c2cc(C#N)ccc2Cl)[nH][n-]1 ZINC000556960854 1123238790 /nfs/dbraw/zinc/23/87/90/1123238790.db2.gz WRNGXUYXXZMUPJ-UHFFFAOYSA-N -1 3 336.782 3.584 20 30 EHEDHM Cc1ncc(CO)c(/C=N\CCc2cc(Cl)cc(Cl)c2)c1[O-] ZINC000920991410 1123445005 /nfs/dbraw/zinc/44/50/05/1123445005.db2.gz STQQOPSNAUNLBY-UWVJOHFNSA-N -1 3 339.222 3.556 20 30 EHEDHM Cc1ccc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1C#N ZINC000625233733 1129777764 /nfs/dbraw/zinc/77/77/64/1129777764.db2.gz XYAVVCXMBWANIC-UHFFFAOYSA-N -1 3 334.419 3.667 20 30 EHEDHM CCOc1cc(C=NNCCc2ccc(OC)cc2)cc(Cl)c1[O-] ZINC000737440822 1131447609 /nfs/dbraw/zinc/44/76/09/1131447609.db2.gz QXXMZQMZSBXMIG-UHFFFAOYSA-N -1 3 348.830 3.619 20 30 EHEDHM CC[C@H](/N=C\c1c([O-])c(C)ncc1CO)C(C)(C)c1ccccc1 ZINC000741466326 1131605875 /nfs/dbraw/zinc/60/58/75/1131605875.db2.gz MRZFMDZAGAPTKI-AIRTYWKNSA-N -1 3 326.440 3.763 20 30 EHEDHM N#Cc1cc(C(F)(F)F)ccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175430164 1132667000 /nfs/dbraw/zinc/66/70/00/1132667000.db2.gz HWHQNDDVGYBYFH-UHFFFAOYSA-N -1 3 330.273 3.501 20 30 EHEDHM C=CCCC[C@@H](C(=O)Nc1cnc(C(=O)OCC)[n-]1)c1ccccc1 ZINC001169881268 1132878626 /nfs/dbraw/zinc/87/86/26/1132878626.db2.gz PPERIAWOUBFPCZ-OAHLLOKOSA-N -1 3 341.411 3.665 20 30 EHEDHM C=CCCC[C@@H](C(=O)Nc1c[n-]c(C(=O)OCC)n1)c1ccccc1 ZINC001169881268 1132878635 /nfs/dbraw/zinc/87/86/35/1132878635.db2.gz PPERIAWOUBFPCZ-OAHLLOKOSA-N -1 3 341.411 3.665 20 30 EHEDHM CC(C)(C/N=C/c1cc(Br)ccc1[O-])c1ccncc1 ZINC000768269389 1133119510 /nfs/dbraw/zinc/11/95/10/1133119510.db2.gz OLFUXEAGHUFFSZ-VXLYETTFSA-N -1 3 333.229 3.946 20 30 EHEDHM C=CCC[C@@H](NC=C1C(=O)[N-]C(=O)c2ccccc21)c1ccccc1 ZINC000771839912 1133598517 /nfs/dbraw/zinc/59/85/17/1133598517.db2.gz WJCVWOTZNIRDKT-YWXUCKCNSA-N -1 3 332.403 3.595 20 30 EHEDHM CCC1(CC)Oc2ccc(N=Cc3ccc(O)c([O-])c3O)cc2O1 ZINC000787141357 1133958909 /nfs/dbraw/zinc/95/89/09/1133958909.db2.gz MDLBSZCRIDOSEB-UHFFFAOYSA-N -1 3 329.352 3.842 20 30 EHEDHM CN(C)[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccc(Cl)cc1 ZINC000746816771 1134274245 /nfs/dbraw/zinc/27/42/45/1134274245.db2.gz UJPGQCGRBYQSQF-JJLFXSABSA-N -1 3 347.802 3.676 20 30 EHEDHM CCCCCCC[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC001187980928 1134407725 /nfs/dbraw/zinc/40/77/25/1134407725.db2.gz UBZHWAQFBSCRCU-UHFFFAOYSA-N -1 3 325.261 3.637 20 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VZKMLWPFHRYFGM-UHFFFAOYSA-N -1 3 347.374 3.990 20 30 EHEDHM CSc1nc2ccc(N=Cc3c([O-])c(C)ncc3CO)cc2s1 ZINC000747707941 1136080906 /nfs/dbraw/zinc/08/09/06/1136080906.db2.gz SEBLGEYSEOBTIX-UHFFFAOYSA-N -1 3 345.449 3.670 20 30 EHEDHM Cc1ncc(CO)c(/C=N\CC(c2ccccc2)c2ccccc2)c1[O-] ZINC000747713461 1136083872 /nfs/dbraw/zinc/08/38/72/1136083872.db2.gz ZCLAEWDHRPRXEV-UCQKPKSFSA-N -1 3 346.430 3.839 20 30 EHEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)c2ccc(Br)cc2)c1[O-] ZINC000747713033 1136084123 /nfs/dbraw/zinc/08/41/23/1136084123.db2.gz MXOOYUNBNRMHHN-JZGLZFLKSA-N -1 3 349.228 3.531 20 30 EHEDHM COc1cc(C(=O)/C=C\c2ccccc2-c2ccnn2C)ccc1[O-] ZINC000814187138 1136419776 /nfs/dbraw/zinc/41/97/76/1136419776.db2.gz AMZRNAWEVCUTMT-CLFYSBASSA-N -1 3 334.375 3.697 20 30 EHEDHM Clc1nc(Sc2ccccc2)sc1C=NN=c1[n-]nc[nH]1 ZINC000814932363 1136526651 /nfs/dbraw/zinc/52/66/51/1136526651.db2.gz XGTFDDRYNYEEOJ-UHFFFAOYSA-N -1 3 336.833 3.512 20 30 EHEDHM Cc1nn(C(C)C)cc1C=NNc1nc2ccccc2[n-]c1=S ZINC000863125211 1137170976 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CC(C)Oc1ccccc1C(F)(F)C(=O)[N-]C1(C#N)CCCCC1 ZINC000846791926 1137366121 /nfs/dbraw/zinc/36/61/21/1137366121.db2.gz GWPBOYQVLSEFTQ-UHFFFAOYSA-N -1 3 336.382 3.908 20 30 EHEDHM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1cc(Br)cs1 ZINC001147911916 1137415355 /nfs/dbraw/zinc/41/53/55/1137415355.db2.gz CFMNXSKJFQLMMQ-UHFFFAOYSA-N -1 3 343.152 3.913 20 30 EHEDHM C=CC[C@H](CC)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000337257278 1138510765 /nfs/dbraw/zinc/51/07/65/1138510765.db2.gz UCMQPVJDOXEQLM-AWEZNQCLSA-N -1 3 326.400 3.634 20 30 EHEDHM CC(=NOCCC(F)(F)F)c1cc(Br)ccc1[O-] ZINC000777463051 1140402282 /nfs/dbraw/zinc/40/22/82/1140402282.db2.gz XQKUZRUONYFLKT-UHFFFAOYSA-N -1 3 326.112 3.848 20 30 EHEDHM C[C@@H]1Sc2sccc2C(=O)C1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000822000724 599111611 /nfs/dbraw/zinc/11/16/11/599111611.db2.gz VFOPZLFAQPLQMO-ITTMYVLYSA-N -1 3 340.433 3.689 20 30 EHEDHM C[C@@H]1Sc2sccc2C(=O)C1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000822000724 599111613 /nfs/dbraw/zinc/11/16/13/599111613.db2.gz 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ZINC000819891614 607169221 /nfs/dbraw/zinc/16/92/21/607169221.db2.gz DKIRLUWGFVKYGB-UHFFFAOYSA-N -1 3 335.436 3.960 20 30 EHEDHM O=C(C=Cc1cc(Cl)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000826399921 607808284 /nfs/dbraw/zinc/80/82/84/607808284.db2.gz KBQSPADAOTVXEA-VMPITWQZSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1cc(Cl)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000826399921 607808285 /nfs/dbraw/zinc/80/82/85/607808285.db2.gz KBQSPADAOTVXEA-VMPITWQZSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1cc2c(s1)CCCC2 ZINC000826401848 607885285 /nfs/dbraw/zinc/88/52/85/607885285.db2.gz IBEMLVLKFVNJCV-KTKRTIGZSA-N -1 3 336.420 3.703 20 30 EHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1cc2c(s1)CCCC2 ZINC000826401848 607885286 /nfs/dbraw/zinc/88/52/86/607885286.db2.gz IBEMLVLKFVNJCV-KTKRTIGZSA-N -1 3 336.420 3.703 20 30 EHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1coc2ccccc12 ZINC000826401020 608881194 /nfs/dbraw/zinc/88/11/94/608881194.db2.gz NFMCQPAJHXZPAE-SOFGYWHQSA-N -1 3 334.310 3.648 20 30 EHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1coc2ccccc12 ZINC000826401020 608881198 /nfs/dbraw/zinc/88/11/98/608881198.db2.gz NFMCQPAJHXZPAE-SOFGYWHQSA-N -1 3 334.310 3.648 20 30 EHEDHM O=C(C=Cc1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400401 609272180 /nfs/dbraw/zinc/27/21/80/609272180.db2.gz YJFNGGGJJVKPLE-VOTSOKGWSA-N -1 3 346.724 3.694 20 30 EHEDHM O=C(C=Cc1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400401 609272182 /nfs/dbraw/zinc/27/21/82/609272182.db2.gz YJFNGGGJJVKPLE-VOTSOKGWSA-N -1 3 346.724 3.694 20 30 EHEDHM Clc1ccccc1C=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826353279 609473917 /nfs/dbraw/zinc/47/39/17/609473917.db2.gz IZFRMXQFTZOKEZ-UHFFFAOYSA-N -1 3 333.182 3.620 20 30 EHEDHM Clc1ccccc1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826353279 609473919 /nfs/dbraw/zinc/47/39/19/609473919.db2.gz IZFRMXQFTZOKEZ-UHFFFAOYSA-N -1 3 333.182 3.620 20 30 EHEDHM C=C(C)CCC(=O)Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1 ZINC001573293608 946961848 /nfs/dbraw/zinc/96/18/48/946961848.db2.gz CXPNEXVJZVSHHO-UHFFFAOYSA-N 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CC(C)(C)Oc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1C#N ZINC000452677331 1026928173 /nfs/dbraw/zinc/92/81/73/1026928173.db2.gz IBBCATYMFXYDPJ-UHFFFAOYSA-N -1 3 342.370 3.761 20 30 EHEDHM N#CCCN(Cc1ccco1)Cc1cc(Br)ccc1[O-] ZINC000159540799 1030260167 /nfs/dbraw/zinc/26/01/67/1030260167.db2.gz ZRBVOUPSWZSGOV-UHFFFAOYSA-N -1 3 335.201 3.664 20 30 EHEDHM CCCCN([O-])C(=O)CCc1ccccc1NC(=O)OC(C)(C)C ZINC000904212513 1031871278 /nfs/dbraw/zinc/87/12/78/1031871278.db2.gz GFARGWVCDKSWGU-UHFFFAOYSA-N -1 3 336.432 3.984 20 30 EHEDHM N#CC1(c2ccc(CN[C@@H](CC(=O)[O-])c3ccsc3)cc2)CC1 ZINC000594689721 1033489240 /nfs/dbraw/zinc/48/92/40/1033489240.db2.gz FCEKWMYDZFNSGW-INIZCTEOSA-N -1 3 326.421 3.609 20 30 EHEDHM O=C(Cc1ccc(-n2cccc2)cc1)Nc1n[n-]c(-c2ccco2)n1 ZINC000078561997 1033707175 /nfs/dbraw/zinc/70/71/75/1033707175.db2.gz LPNXDDVCPXBOOT-UHFFFAOYSA-N -1 3 333.351 3.686 20 30 EHEDHM C=CCCOCCCCC(=O)N=c1cc(-c2ccccc2C)[n-][nH]1 ZINC000539418185 1036739711 /nfs/dbraw/zinc/73/97/11/1036739711.db2.gz 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N#Cc1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)cc1C(F)(F)F ZINC000417037526 1039339948 /nfs/dbraw/zinc/33/99/48/1039339948.db2.gz UHYCRZCRYYFDFA-UHFFFAOYSA-N -1 3 334.301 3.562 20 30 EHEDHM N#Cc1cccc(OC2CCN(Cc3cc(F)cc(F)c3[O-])CC2)c1 ZINC000893996030 1039934181 /nfs/dbraw/zinc/93/41/81/1039934181.db2.gz XYKLEEOGVDXQAX-UHFFFAOYSA-N -1 3 344.361 3.585 20 30 EHEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000899225481 1040202588 /nfs/dbraw/zinc/20/25/88/1040202588.db2.gz VUCKVXIHOVNQLH-BDJLRTHQSA-N -1 3 346.377 3.671 20 30 EHEDHM CC(C)(C)Oc1cccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)n1 ZINC000626283871 1040810692 /nfs/dbraw/zinc/81/06/92/1040810692.db2.gz UBHXNWQMBRNWRA-GFCCVEGCSA-N -1 3 334.379 3.625 20 30 EHEDHM O=C(Cc1ccc(C(F)(F)F)cc1)N([O-])Cc1ccc(F)cc1 ZINC000899895238 1041300673 /nfs/dbraw/zinc/30/06/73/1041300673.db2.gz LWNRWEWUBRWTBM-UHFFFAOYSA-N -1 3 327.277 3.805 20 30 EHEDHM CCO[C@@H]1C[C@@H](/N=C/c2cc(Br)ccc2[O-])C12CCC2 ZINC000125178921 1041914147 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CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)c3cccc(C#N)c3)nc2)n1 ZINC000301442236 1128591561 /nfs/dbraw/zinc/59/15/61/1128591561.db2.gz MTHXYIFQVCAPNA-ZDUSSCGKSA-N -1 3 345.406 3.851 20 30 EHEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c(Cl)c1 ZINC000494455629 1120562943 /nfs/dbraw/zinc/56/29/43/1120562943.db2.gz KTMXBZZBWSSZBG-UHFFFAOYSA-N -1 3 341.219 3.974 20 30 EHEDHM CC(=NNc1nc(C)cc(=O)[n-]1)c1ccc(N2CCCCCC2)cc1 ZINC000916241667 1122106874 /nfs/dbraw/zinc/10/68/74/1122106874.db2.gz OMXVSNDLBYDZGY-UHFFFAOYSA-N -1 3 339.443 3.707 20 30 EHEDHM COc1cccc(NC(=S)NN=C(C)c2cc(Cl)ccc2[O-])c1 ZINC000916298891 1122121178 /nfs/dbraw/zinc/12/11/78/1122121178.db2.gz ZCSQUBOIFAWNRN-UHFFFAOYSA-N -1 3 349.843 3.765 20 30 EHEDHM CCOc1cc(C=NNCc2ccccc2)cc(Br)c1[O-] ZINC000916344096 1122131103 /nfs/dbraw/zinc/13/11/03/1122131103.db2.gz MHLWGWYJFPGKTQ-UHFFFAOYSA-N -1 3 349.228 3.677 20 30 EHEDHM N#Cc1ccc([O-])c(Nc2cc(F)cc(C(=O)N3CCCCC3)c2)c1 ZINC001212215810 1122385536 /nfs/dbraw/zinc/38/55/36/1122385536.db2.gz TVEGWQIQGNFJBQ-UHFFFAOYSA-N -1 3 339.370 3.773 20 30 EHEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1ccc(N2CCOCC2)c(F)c1 ZINC000917556793 1122636853 /nfs/dbraw/zinc/63/68/53/1122636853.db2.gz MZKGDUFYGQLCDB-MTJSOVHGSA-N -1 3 348.805 3.640 20 30 EHEDHM CCCCCCCOC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000919106673 1122977911 /nfs/dbraw/zinc/97/79/11/1122977911.db2.gz KOKYEUHGHHMZKI-MRXNPFEDSA-N -1 3 333.428 3.510 20 30 EHEDHM O=C(Cc1ccc(C(F)(F)F)cc1)Nc1n[n-]c(-c2ccco2)n1 ZINC000073974246 1123235490 /nfs/dbraw/zinc/23/54/90/1123235490.db2.gz QZPBIYSUCMPIBK-UHFFFAOYSA-N -1 3 336.273 3.914 20 30 EHEDHM CCCc1c(C([O-])=C(C#N)c2ccccn2)cnn1-c1ccccc1 ZINC000181484467 1124882852 /nfs/dbraw/zinc/88/28/52/1124882852.db2.gz QTXRIDNZCATBKH-MRXNPFEDSA-N -1 3 330.391 3.710 20 30 EHEDHM C=CCC(F)(F)C(=O)[N-]Cc1cc(Br)ccc1Cl ZINC001626073849 1129445303 /nfs/dbraw/zinc/44/53/03/1129445303.db2.gz JEALTSQZWLMUCR-UHFFFAOYSA-N -1 3 338.579 3.930 20 30 EHEDHM COC(=O)C[C@@H](/N=C\c1cc(Cl)ccc1[O-])c1ccc(OC)cc1 ZINC000732769984 1130955106 /nfs/dbraw/zinc/95/51/06/1130955106.db2.gz RANWHXTWKZPQGS-IWEBCOIVSA-N -1 3 347.798 3.778 20 30 EHEDHM Cc1ccc(N2CC[C@@H](/N=C\c3cc(Cl)ccc3[O-])C2=O)cc1 ZINC000741465304 1131605207 /nfs/dbraw/zinc/60/52/07/1131605207.db2.gz UEEPZTUQJUVLFN-IWEBCOIVSA-N -1 3 328.799 3.578 20 30 EHEDHM O=[N+]([O-])c1ccccc1CC/N=C\c1cc(Br)ccc1[O-] ZINC000741842056 1131655514 /nfs/dbraw/zinc/65/55/14/1131655514.db2.gz DWKCIUJCGSKYNI-YVLHZVERSA-N -1 3 349.184 3.725 20 30 EHEDHM CC(C)CC[C@H]1CCCC1=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000743448596 1131921018 /nfs/dbraw/zinc/92/10/18/1131921018.db2.gz WUVHPXDWYWDUCJ-QGZVFWFLSA-N -1 3 336.501 3.741 20 30 EHEDHM N#Cc1cnn(-c2ccc(F)cc2)c1Nc1cc([O-])cc(Cl)c1 ZINC001176622761 1132973295 /nfs/dbraw/zinc/97/32/95/1132973295.db2.gz WSPUYYZWJODUMO-UHFFFAOYSA-N -1 3 328.734 3.986 20 30 EHEDHM O=C(/C=C\c1ccc(Br)cc1[N+](=O)[O-])c1cccc([O-])c1 ZINC000767717991 1133042526 /nfs/dbraw/zinc/04/25/26/1133042526.db2.gz IJOJQQBHCTVVRW-ALCCZGGFSA-N -1 3 348.152 3.959 20 30 EHEDHM CCCCCCN([O-])C(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1 ZINC001184305562 1133919349 /nfs/dbraw/zinc/91/93/49/1133919349.db2.gz LUPHCLUDQRDBHA-MRXNPFEDSA-N -1 3 340.851 3.705 20 30 EHEDHM O=C(C1=Cc2cc(F)ccc2OC1)N([O-])Cc1ccccc1Cl ZINC001184283859 1133923550 /nfs/dbraw/zinc/92/35/50/1133923550.db2.gz SZDNOHMMBVQSNU-UHFFFAOYSA-N -1 3 333.746 3.673 20 30 EHEDHM Cc1cc(C)n2ncc(C(=O)N([O-])Cc3cccc4ccccc43)c2n1 ZINC001184339945 1133929693 /nfs/dbraw/zinc/92/96/93/1133929693.db2.gz IISLFATYGAJSJQ-UHFFFAOYSA-N -1 3 346.390 3.531 20 30 EHEDHM [O-]c1ccc(Br)cc1C=Nc1n[nH]c2cc(F)ccc21 ZINC000788675478 1134155361 /nfs/dbraw/zinc/15/53/61/1134155361.db2.gz VEUPESPCRZIRRQ-UHFFFAOYSA-N -1 3 334.148 3.921 20 30 EHEDHM N#C[C@@H]([N-]S(=O)(=O)c1csc2ccccc21)c1ccc(F)cc1 ZINC001186510427 1134226529 /nfs/dbraw/zinc/22/65/29/1134226529.db2.gz ZMRHXPAUGUWZBB-CQSZACIVSA-N -1 3 346.408 3.584 20 30 EHEDHM N#Cc1cnoc1[N-]C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC001187493380 1134342889 /nfs/dbraw/zinc/34/28/89/1134342889.db2.gz CUODIRFRDLFGOJ-UHFFFAOYSA-N -1 3 330.653 3.862 20 30 EHEDHM Cc1nnc(-c2cccc(N=Cc3cc(Cl)ccc3[O-])c2)n1C ZINC000772802653 1134716317 /nfs/dbraw/zinc/71/63/17/1134716317.db2.gz OLBNHAYCBJEHRY-UHFFFAOYSA-N -1 3 326.787 3.900 20 30 EHEDHM N#Cc1sccc1[N-]C(=O)c1ncc(Cl)cc1C(F)(F)F ZINC001190705861 1134735741 /nfs/dbraw/zinc/73/57/41/1134735741.db2.gz YNWYHQVOYAIIJZ-UHFFFAOYSA-N -1 3 331.706 3.939 20 30 EHEDHM CCCCCCCNC(=O)Nc1ncc([O-])cc1Br ZINC001191086795 1134799489 /nfs/dbraw/zinc/79/94/89/1134799489.db2.gz PKWRVSWXUXASNS-UHFFFAOYSA-N -1 3 330.226 3.642 20 30 EHEDHM CCc1cc(NC(=O)c2cnc(C(F)(F)F)[n-]2)cc(CC)c1C#N ZINC001194784020 1135315298 /nfs/dbraw/zinc/31/52/98/1135315298.db2.gz YNNHMAOFZTYBCM-UHFFFAOYSA-N -1 3 336.317 3.677 20 30 EHEDHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C#N)c2)c(C)c1C ZINC001194863751 1135330966 /nfs/dbraw/zinc/33/09/66/1135330966.db2.gz HAWLOGMARYIRPV-UHFFFAOYSA-N -1 3 344.436 3.601 20 30 EHEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@H](O)c1cc(F)cc(Cl)c1 ZINC000775742034 1135604453 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Cc1cccc(CCC/N=C\c2cc(Br)ccc2[O-])n1 ZINC000794678480 1137225890 /nfs/dbraw/zinc/22/58/90/1137225890.db2.gz BRJQIDYGLHZNNU-WQRHYEAKSA-N -1 3 333.229 3.910 20 30 EHEDHM C=C[C@@H](C)O[N-]C(=O)Nc1nc(C)c(Cc2ccccc2F)s1 ZINC000844697759 1137248530 /nfs/dbraw/zinc/24/85/30/1137248530.db2.gz LBDKRCUKTIBCQA-SNVBAGLBSA-N -1 3 335.404 3.809 20 30 EHEDHM N#CC(C(=O)c1cc2c(s1)CCCC2)=C([O-])C=Cc1cccnc1 ZINC000845835518 1137314305 /nfs/dbraw/zinc/31/43/05/1137314305.db2.gz BIIIECWXRDKGOD-KIUWMYQTSA-N -1 3 336.416 3.627 20 30 EHEDHM CCC(F)(F)C(=O)[N-][C@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000825686503 1137605795 /nfs/dbraw/zinc/60/57/95/1137605795.db2.gz YYCKACRCYMJRNL-QGZVFWFLSA-N -1 3 344.361 3.992 20 30 EHEDHM COc1cc(C(=O)/C=C/c2cc(Cl)ccc2[N+](=O)[O-])ccc1[O-] ZINC000128418987 1137778574 /nfs/dbraw/zinc/77/85/74/1137778574.db2.gz CWNWVZDCUSQPJT-QHHAFSJGSA-N -1 3 333.727 3.859 20 30 EHEDHM [O-]c1ccc(Br)cc1/C=N/[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000124133390 1138280026 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Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1C(C)C ZINC000019678349 212054395 /nfs/dbraw/zinc/05/43/95/212054395.db2.gz WUHZOVMGUVDSPY-UHFFFAOYSA-N -1 3 337.423 3.558 20 30 EHEDHM CCc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1 ZINC000821481792 599110428 /nfs/dbraw/zinc/11/04/28/599110428.db2.gz ODFDOFSINDEMEZ-LFIBNONCSA-N -1 3 330.391 3.642 20 30 EHEDHM CCc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1 ZINC000821481792 599110429 /nfs/dbraw/zinc/11/04/29/599110429.db2.gz ODFDOFSINDEMEZ-LFIBNONCSA-N -1 3 330.391 3.642 20 30 EHEDHM CC(C)C(N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CC1 ZINC000735683602 598313682 /nfs/dbraw/zinc/31/36/82/598313682.db2.gz ASVNLSGXIHRNCP-UHFFFAOYSA-N -1 3 338.337 3.719 20 30 EHEDHM CC(C)C(N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1CC1 ZINC000735683602 598313684 /nfs/dbraw/zinc/31/36/84/598313684.db2.gz ASVNLSGXIHRNCP-UHFFFAOYSA-N -1 3 338.337 3.719 20 30 EHEDHM C[C@H](SCc1ccc(F)cc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000736193782 599327215 /nfs/dbraw/zinc/32/72/15/599327215.db2.gz TULPOEKTQRLMSS-NSHDSACASA-N -1 3 339.399 3.872 20 30 EHEDHM C[C@H](SCc1ccc(F)cc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000736193782 599327217 /nfs/dbraw/zinc/32/72/17/599327217.db2.gz TULPOEKTQRLMSS-NSHDSACASA-N -1 3 339.399 3.872 20 30 EHEDHM Cc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc(C)c1F ZINC000822160939 607460187 /nfs/dbraw/zinc/46/01/87/607460187.db2.gz MESUSUIDUZWWJO-AATRIKPKSA-N -1 3 340.333 3.658 20 30 EHEDHM Cc1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc(C)c1F ZINC000822160939 607460188 /nfs/dbraw/zinc/46/01/88/607460188.db2.gz MESUSUIDUZWWJO-AATRIKPKSA-N -1 3 340.333 3.658 20 30 EHEDHM CC(C)Oc1cccc([C@@H](C)N[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000827058349 601300283 /nfs/dbraw/zinc/30/02/83/601300283.db2.gz CLNJCUAOSSVLGV-AUUYWEPGSA-N -1 3 338.407 3.822 20 30 EHEDHM Cc1cc(C)c2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1)CCO2 ZINC000822195642 606836073 /nfs/dbraw/zinc/83/60/73/606836073.db2.gz ZBRQWEGNRKREIE-WJDWOHSUSA-N -1 3 346.390 3.532 20 30 EHEDHM Cc1cc(C)c2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)cc1)CCO2 ZINC000822195642 606836074 /nfs/dbraw/zinc/83/60/74/606836074.db2.gz ZBRQWEGNRKREIE-WJDWOHSUSA-N -1 3 346.390 3.532 20 30 EHEDHM O=C1c2cccc3c2[C@@H](CCC3)C1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000826475509 608109606 /nfs/dbraw/zinc/10/96/06/608109606.db2.gz IHVQIJRHHCVZNA-CIKBWMHTSA-N -1 3 346.365 3.706 20 30 EHEDHM O=C1c2cccc3c2[C@@H](CCC3)C1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000826475509 608109607 /nfs/dbraw/zinc/10/96/07/608109607.db2.gz IHVQIJRHHCVZNA-CIKBWMHTSA-N -1 3 346.365 3.706 20 30 EHEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC2CC[C@H]3CCCC[C@@H]3C2)n1 ZINC000826350299 608540956 /nfs/dbraw/zinc/54/09/56/608540956.db2.gz PTBSNALWLHTAHP-GHMZBOCLSA-N -1 3 345.838 3.673 20 30 EHEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC2CC[C@H]3CCCC[C@@H]3C2)n1 ZINC000826350299 608540957 /nfs/dbraw/zinc/54/09/57/608540957.db2.gz PTBSNALWLHTAHP-GHMZBOCLSA-N -1 3 345.838 3.673 20 30 EHEDHM C=CCN(Cc1cscc1Cl)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823914944 608632388 /nfs/dbraw/zinc/63/23/88/608632388.db2.gz PUCBZHHYYFKRLM-UHFFFAOYSA-N -1 3 345.859 3.770 20 30 EHEDHM C=CCN(Cc1cscc1Cl)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914944 608632392 /nfs/dbraw/zinc/63/23/92/608632392.db2.gz PUCBZHHYYFKRLM-UHFFFAOYSA-N -1 3 345.859 3.770 20 30 EHEDHM O=C(C=Cc1cc(Cl)ccc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400245 609270785 /nfs/dbraw/zinc/27/07/85/609270785.db2.gz SVUQRNMXANGSCS-KXFIGUGUSA-N -1 3 346.724 3.694 20 30 EHEDHM O=C(C=Cc1cc(Cl)ccc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400245 609270786 /nfs/dbraw/zinc/27/07/86/609270786.db2.gz SVUQRNMXANGSCS-KXFIGUGUSA-N -1 3 346.724 3.694 20 30 EHEDHM CC(C)(C#N)c1ccc(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1 ZINC001588607899 959498682 /nfs/dbraw/zinc/49/86/82/959498682.db2.gz YRPHEFINCCGPNE-LJQANCHMSA-N -1 3 334.419 3.672 20 30 EHEDHM C=CCN(C)Cc1ccc(OCc2ccc(C(=O)[O-])o2)c(OCC)c1 ZINC001588822466 984290688 /nfs/dbraw/zinc/29/06/88/984290688.db2.gz LXJQJWPTYACKFX-UHFFFAOYSA-N -1 3 345.395 3.573 20 30 EHEDHM C=CCOc1ccc(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001588873781 984445808 /nfs/dbraw/zinc/44/58/08/984445808.db2.gz LSVBGCHOCMGPPA-CYBMUJFWSA-N -1 3 327.380 3.506 20 30 EHEDHM O=C1CCCC(=O)N1c1ccc(N=Cc2cc(Cl)ccc2[O-])cc1 ZINC000254998779 1015438086 /nfs/dbraw/zinc/43/80/86/1015438086.db2.gz RNHIKGLODVTRFG-UHFFFAOYSA-N -1 3 342.782 3.840 20 30 EHEDHM N#CCOc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000179636251 1015521421 /nfs/dbraw/zinc/52/14/21/1015521421.db2.gz IRXJUUYIJDQNRX-FPYGCLRLSA-N -1 3 328.755 3.600 20 30 EHEDHM CN(Cc1cccc(C#N)c1)[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC001598525443 992713888 /nfs/dbraw/zinc/71/38/88/992713888.db2.gz JPEDTVQSONEVHP-MRXNPFEDSA-N -1 3 348.324 3.835 20 30 EHEDHM C[C@@H](/N=C\c1cc(Cl)ccc1[O-])c1ccc2c(c1)CC(=O)N2C ZINC000728226535 1016123535 /nfs/dbraw/zinc/12/35/35/1016123535.db2.gz SHBUXJAJKPTMAA-BPXUPMHTSA-N -1 3 328.799 3.745 20 30 EHEDHM C[C@@H]1[C@H](C(=O)[N-][C@H](c2c(F)cccc2F)C(F)(F)F)C1(F)F ZINC000461091108 1032260218 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Cc1cc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)cc([N+](=O)[O-])c1 ZINC000345365391 1020189146 /nfs/dbraw/zinc/18/91/46/1020189146.db2.gz AQKLPOBOJPDXSR-CQSZACIVSA-N -1 3 334.335 3.578 20 30 EHEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccn(-c4ccccc4)n3)nc21 ZINC000345407012 1020225796 /nfs/dbraw/zinc/22/57/96/1020225796.db2.gz XNIOQRRQJPVOFA-OAHLLOKOSA-N -1 3 341.374 3.547 20 30 EHEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(CC)cc1[O-] ZINC000436805884 1021250178 /nfs/dbraw/zinc/25/01/78/1021250178.db2.gz TXZNVJOHZKYDIU-UHFFFAOYSA-N -1 3 325.408 3.792 20 30 EHEDHM C=CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccsc2)cc1Cl ZINC000426791807 1023050916 /nfs/dbraw/zinc/05/09/16/1023050916.db2.gz JVAPSYHTTVBEGO-OAHLLOKOSA-N -1 3 337.828 3.882 20 30 EHEDHM C=CCCCS(=O)(=O)[N-]c1ccccc1-c1nc2ccccc2[nH]1 ZINC000427763608 1024779800 /nfs/dbraw/zinc/77/98/00/1024779800.db2.gz ROPPKHRBSZVSCU-UHFFFAOYSA-N -1 3 341.436 3.938 20 30 EHEDHM C=CCC[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1 ZINC000435755306 1025135239 /nfs/dbraw/zinc/13/52/39/1025135239.db2.gz IJDQEABVLPPGCV-QGZVFWFLSA-N -1 3 332.403 3.965 20 30 EHEDHM C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000436630572 1025960422 /nfs/dbraw/zinc/96/04/22/1025960422.db2.gz OKPBKOJUACGWRT-UHFFFAOYSA-N -1 3 343.423 3.819 20 30 EHEDHM COCc1nocc1C(=O)[N-]c1sc2c(c1C#N)[C@H](C)C[C@@H](C)C2 ZINC000425605709 1026026876 /nfs/dbraw/zinc/02/68/76/1026026876.db2.gz LNUUJJRINGIPAK-NXEZZACHSA-N -1 3 345.424 3.692 20 30 EHEDHM C=CCC1(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)CCOCC1 ZINC000424745655 1029291053 /nfs/dbraw/zinc/29/10/53/1029291053.db2.gz ZRSNNGCTZZZAIT-UHFFFAOYSA-N -1 3 329.318 3.722 20 30 EHEDHM C[C@H](C(=O)[N-][C@H](C#N)c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000080176686 1029692907 /nfs/dbraw/zinc/69/29/07/1029692907.db2.gz JZQUETLSEHRMGC-LHLIQPBNSA-N -1 3 325.117 3.873 20 30 EHEDHM C=CCC[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccccc1 ZINC000123080827 1030891333 /nfs/dbraw/zinc/89/13/33/1030891333.db2.gz YLPIVCUQSOWAOB-SFHVURJKSA-N -1 3 332.403 3.965 20 30 EHEDHM N#Cc1ccc(CN2CCCC[C@@H]2CCC(=O)[O-])c(C(F)(F)F)c1 ZINC000595879567 1034014775 /nfs/dbraw/zinc/01/47/75/1034014775.db2.gz SWTCFZGROLEGHV-CQSZACIVSA-N -1 3 340.345 3.796 20 30 EHEDHM O=C1c2ccccc2C(Nc2ccc(=S)[n-]n2)=C1c1ccccc1 ZINC001168410291 1034418171 /nfs/dbraw/zinc/41/81/71/1034418171.db2.gz GJXSWNQNCHYGDU-UHFFFAOYSA-N -1 3 331.400 3.942 20 30 EHEDHM CC(C)(C#N)c1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000024618732 1036053965 /nfs/dbraw/zinc/05/39/65/1036053965.db2.gz POPPRILJFBWUSK-UHFFFAOYSA-N -1 3 331.375 3.582 20 30 EHEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)c(C)o1 ZINC000130129198 1038087162 /nfs/dbraw/zinc/08/71/62/1038087162.db2.gz UTMLRJHGGCOHJH-LBPRGKRZSA-N -1 3 334.734 3.650 20 30 EHEDHM CC(=O)Nc1cccc(C/N=C/c2cc(Br)ccc2[O-])c1 ZINC000044009651 1038971104 /nfs/dbraw/zinc/97/11/04/1038971104.db2.gz QWAOFFQDTFFMBF-VCHYOVAHSA-N -1 3 347.212 3.732 20 30 EHEDHM CCOc1cc(C=NNc2nc3ccccc3n2C)cc(Cl)c1[O-] ZINC000728776182 1039895945 /nfs/dbraw/zinc/89/59/45/1039895945.db2.gz MBTJCKXGWYUDGT-UHFFFAOYSA-N -1 3 344.802 3.777 20 30 EHEDHM CCC1(c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)CCCC1 ZINC000573529502 1040155996 /nfs/dbraw/zinc/15/59/96/1040155996.db2.gz RRCWAXZABUYWKE-UHFFFAOYSA-N -1 3 340.427 3.666 20 30 EHEDHM O=C(COc1ccc2ccccc2c1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000029388893 1040567686 /nfs/dbraw/zinc/56/76/86/1040567686.db2.gz ARHXOIPXBUUVMI-UHFFFAOYSA-N -1 3 336.273 3.644 20 30 EHEDHM O=C(COc1ccc2ccccc2c1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000029388893 1040567706 /nfs/dbraw/zinc/56/77/06/1040567706.db2.gz ARHXOIPXBUUVMI-UHFFFAOYSA-N -1 3 336.273 3.644 20 30 EHEDHM Cc1csc([N-]C(=O)c2csc(-c3ncccc3F)n2)c1C#N ZINC000344929841 1044705082 /nfs/dbraw/zinc/70/50/82/1044705082.db2.gz PLRJUGVMKCZLCB-UHFFFAOYSA-N -1 3 344.396 3.838 20 30 EHEDHM COc1ccc2c(c1)[C@H](C(=O)N([O-])Cc1ccccc1Cl)CC2 ZINC001649045724 1127993202 /nfs/dbraw/zinc/99/32/02/1127993202.db2.gz AXIRGBQETIVZKU-OAHLLOKOSA-N -1 3 331.799 3.796 20 30 EHEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c(Cl)c1 ZINC000494419369 1120559223 /nfs/dbraw/zinc/55/92/23/1120559223.db2.gz AJKBSNVZQQEVDV-UHFFFAOYSA-N -1 3 345.182 3.805 20 30 EHEDHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1 ZINC000032085289 1120903411 /nfs/dbraw/zinc/90/34/11/1120903411.db2.gz RZGBELAWSBEYFG-UHFFFAOYSA-N -1 3 328.437 3.752 20 30 EHEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)cc1C ZINC000026547695 1121664771 /nfs/dbraw/zinc/66/47/71/1121664771.db2.gz JNJJGVMZSLYLNJ-UHFFFAOYSA-N -1 3 328.437 3.905 20 30 EHEDHM N#CCOc1cccc(N=Cc2cc(Br)ccc2[O-])c1 ZINC000915983323 1122008255 /nfs/dbraw/zinc/00/82/55/1122008255.db2.gz XRTUNWYFOTVQNZ-UHFFFAOYSA-N -1 3 331.169 3.808 20 30 EHEDHM COCCOc1cccc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@H]2C)c1 ZINC000917143366 1122536817 /nfs/dbraw/zinc/53/68/17/1122536817.db2.gz JBXIMKZWJVXNBX-CMHHUMAZSA-N -1 3 342.366 3.940 20 30 EHEDHM Cc1ncc(CO)c(C=Nc2cccc(OCCC(C)C)c2)c1[O-] ZINC000920755340 1123420284 /nfs/dbraw/zinc/42/02/84/1123420284.db2.gz IMSPVLUEWPTSFZ-UHFFFAOYSA-N -1 3 328.412 3.763 20 30 EHEDHM Cc1cc(C([O-])=C(C#N)c2ccccn2)nn1-c1cccc(Cl)c1 ZINC000179848991 1123873583 /nfs/dbraw/zinc/87/35/83/1123873583.db2.gz PYQQQRMEAGYFEJ-HNNXBMFYSA-N -1 3 336.782 3.719 20 30 EHEDHM CC[C@H](Cc1ccc(Cl)cc1)/N=C/c1c([O-])c(C)ncc1CO ZINC000734753279 1131272050 /nfs/dbraw/zinc/27/20/50/1131272050.db2.gz QVYOUYOJBQUWQU-PPAWOMOGSA-N -1 3 332.831 3.682 20 30 EHEDHM CCCCn1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C)c1CC ZINC000429115851 1129822607 /nfs/dbraw/zinc/82/26/07/1129822607.db2.gz PRZNCQXQIHHDIM-AWEZNQCLSA-N -1 3 349.438 3.622 20 30 EHEDHM COCCOc1ccc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@H]2C)cc1 ZINC000730464340 1130713199 /nfs/dbraw/zinc/71/31/99/1130713199.db2.gz PMWPTUBJGUFBCU-CMHHUMAZSA-N -1 3 342.366 3.940 20 30 EHEDHM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)/C=C/c1ccc(C)cc1 ZINC000741657516 1131632946 /nfs/dbraw/zinc/63/29/46/1131632946.db2.gz CGQCXUGHWHQPKA-ZRDIBKRKSA-N -1 3 345.395 3.559 20 30 EHEDHM CCCC(=N[N-]S(=O)(=O)CCc1ccccc1)C1CCCCC1 ZINC000743449472 1131920819 /nfs/dbraw/zinc/92/08/19/1131920819.db2.gz YOFUSWZAUWCUNP-UHFFFAOYSA-N -1 3 336.501 3.885 20 30 EHEDHM Cc1nc(C([O-])=C(C#N)c2nc3ccccc3s2)c2ccccn12 ZINC000744015758 1132007373 /nfs/dbraw/zinc/00/73/73/1132007373.db2.gz CNTFKMRFRCTMHA-LBPRGKRZSA-N -1 3 332.388 3.743 20 30 EHEDHM [O-]c1ccc(Cl)cc1/C=N/[C@H]1CCOC2(CCSCC2)C1 ZINC000771097532 1133509557 /nfs/dbraw/zinc/50/95/57/1133509557.db2.gz JHRUPBLJVVGRTQ-BGARDKSCSA-N -1 3 325.861 3.909 20 30 EHEDHM CCC1(O)CCC(/N=C\c2cc(Br)ccc2[O-])CC1 ZINC000771521664 1133570210 /nfs/dbraw/zinc/57/02/10/1133570210.db2.gz UTMAGSWTAMNRPR-YVLHZVERSA-N -1 3 326.234 3.657 20 30 EHEDHM C[C@@H](C(=O)Nc1cc(Br)ccc1[O-])c1ccc(C#N)cc1 ZINC001182799675 1133729869 /nfs/dbraw/zinc/72/98/69/1133729869.db2.gz WOBPJLLHIFPJMQ-SNVBAGLBSA-N -1 3 345.196 3.769 20 30 EHEDHM N#Cc1ccc(COC(=O)c2cc3occc3[n-]2)c(Br)c1 ZINC000786031038 1133794082 /nfs/dbraw/zinc/79/40/82/1133794082.db2.gz HLAWLUIDGJCNKI-UHFFFAOYSA-N -1 3 345.152 3.752 20 30 EHEDHM N#Cc1ccc(COC(=O)c2cc3occc3[n-]2)c(OC(F)F)c1 ZINC000786033105 1133794523 /nfs/dbraw/zinc/79/45/23/1133794523.db2.gz YBQJQQQJOWQIBV-UHFFFAOYSA-N -1 3 332.262 3.591 20 30 EHEDHM CCCCCCN([O-])C(=O)c1ccc(CSc2nccn2C)o1 ZINC001184305879 1133919879 /nfs/dbraw/zinc/91/98/79/1133919879.db2.gz VQJATWSIJCAZCA-UHFFFAOYSA-N -1 3 337.445 3.717 20 30 EHEDHM CCCCN([O-])C(=O)C[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001184315404 1133920922 /nfs/dbraw/zinc/92/09/22/1133920922.db2.gz YCYYVKGTORZURA-CABCVRRESA-N -1 3 342.480 3.678 20 30 EHEDHM CCCCCCN([O-])C(=O)Cc1ccc(OC)c(OC(F)F)c1 ZINC001184314643 1133920940 /nfs/dbraw/zinc/92/09/40/1133920940.db2.gz DIXCIDXQWRTCOW-UHFFFAOYSA-N -1 3 331.359 3.637 20 30 EHEDHM Cc1cc(C)cc(OCC(=O)N([O-])CCCCc2ccccc2)c1 ZINC001184293131 1133925498 /nfs/dbraw/zinc/92/54/98/1133925498.db2.gz GJGCASBPDROZED-UHFFFAOYSA-N -1 3 327.424 3.923 20 30 EHEDHM CCCCCCCCS(=O)(=O)[N-]c1c(C)scc1C(=O)OC ZINC001187994972 1134410243 /nfs/dbraw/zinc/41/02/43/1134410243.db2.gz WSWMLXSWCVWKLF-UHFFFAOYSA-N -1 3 347.502 3.945 20 30 EHEDHM N#Cc1cc(NC(=O)c2cc(F)c(F)c(C(F)(F)F)c2)ccc1[O-] ZINC001189348125 1134578893 /nfs/dbraw/zinc/57/88/93/1134578893.db2.gz CFUDMBQECMITNJ-UHFFFAOYSA-N -1 3 342.223 3.813 20 30 EHEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cnnn1Cc1ccccc1 ZINC000792868117 1134802594 /nfs/dbraw/zinc/80/25/94/1134802594.db2.gz CGRXHEGHUGEFJE-DGGAMASNSA-N -1 3 349.365 3.555 20 30 EHEDHM CC(C)(NC(=O)c1ccc([O-])cc1C(F)(F)F)c1ccc(C#N)cc1 ZINC001193758238 1135182678 /nfs/dbraw/zinc/18/26/78/1135182678.db2.gz MVHKVXCRGOMHOH-UHFFFAOYSA-N -1 3 348.324 3.948 20 30 EHEDHM N#Cc1cc(NC(=O)c2ccc(OCC3CC3)c(Cl)c2)ccc1[O-] ZINC001194199646 1135242692 /nfs/dbraw/zinc/24/26/92/1135242692.db2.gz NAUCUISOXNCOPP-UHFFFAOYSA-N -1 3 342.782 3.958 20 30 EHEDHM CO[C@@H]1[C@H](C)[C@H](/N=C/c2cc(Br)ccc2[O-])C1(C)C ZINC000775631467 1135361870 /nfs/dbraw/zinc/36/18/70/1135361870.db2.gz RUJDKEIIDGILKN-YAPQGXBRSA-N -1 3 326.234 3.633 20 30 EHEDHM O=C1NCCCN1c1cc(N=Cc2cc(Cl)ccc2[O-])ccc1F ZINC000806550589 1135456988 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Cc1cccc([O-])c1C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC001136010801 1136839738 /nfs/dbraw/zinc/83/97/38/1136839738.db2.gz CDAGJLCIYCKCMC-UHFFFAOYSA-N -1 3 328.371 3.748 20 30 EHEDHM CC(C)Oc1cccc([C@@H](O)C/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000116608564 1137008192 /nfs/dbraw/zinc/00/81/92/1137008192.db2.gz GOCBBQWHZPWXSY-HGMDMCOWSA-N -1 3 333.815 3.985 20 30 EHEDHM N#C[C@@H]([N-]C(=O)CC(F)(F)C(F)(F)F)c1ccc(Cl)cc1 ZINC000865199955 1137268280 /nfs/dbraw/zinc/26/82/80/1137268280.db2.gz XQAVBMSEUCZPLX-SECBINFHSA-N -1 3 326.652 3.609 20 30 EHEDHM Cc1cccc(O[C@@H](C)C(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)c1 ZINC000845836151 1137314405 /nfs/dbraw/zinc/31/44/05/1137314405.db2.gz HIKNSQMJXUDICQ-QFBILLFUSA-N -1 3 347.414 3.772 20 30 EHEDHM C=C[C@H](C)O[N-]C(=O)CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000846545984 1137354776 /nfs/dbraw/zinc/35/47/76/1137354776.db2.gz RDUYHEXVUIPQPM-HOCLYGCPSA-N -1 3 348.443 3.655 20 30 EHEDHM C=C[C@@H](C)O[N-]C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000846546208 1137354962 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CCC(N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(C)C ZINC000736304792 598315373 /nfs/dbraw/zinc/31/53/73/598315373.db2.gz QEHLWLMAAPPQHH-UHFFFAOYSA-N -1 3 326.326 3.719 20 30 EHEDHM C[C@@H](c1ccc(C#N)cc1)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC000736826914 600488718 /nfs/dbraw/zinc/48/87/18/600488718.db2.gz XHEWUTHGKKOROA-CVEARBPZSA-N -1 3 349.434 3.528 20 30 EHEDHM CCN(CC)c1ccc(/C=[NH+]\[C@@H](CC(=O)[O-])c2ccccc2)c([O-])c1 ZINC000737088426 600494472 /nfs/dbraw/zinc/49/44/72/600494472.db2.gz MADFEMDRCWTDBB-SBGXLDQMSA-N -1 3 340.423 3.873 20 30 EHEDHM N#Cc1ccc([C@H](N[C@H]2CCc3c2cccc3Cl)C(=O)[O-])cc1 ZINC000739105678 600596158 /nfs/dbraw/zinc/59/61/58/600596158.db2.gz IMOZOPPCCDPGCX-IRXDYDNUSA-N -1 3 326.783 3.614 20 30 EHEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1sc(C(C)C)nc1C ZINC000819783586 606201375 /nfs/dbraw/zinc/20/13/75/606201375.db2.gz ZOXSECPTBYKWBX-UHFFFAOYSA-N -1 3 341.444 3.591 20 30 EHEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1sc(C(C)C)nc1C ZINC000819783586 606201377 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O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cc2ccccc2o1 ZINC000826400822 607916141 /nfs/dbraw/zinc/91/61/41/607916141.db2.gz JGOALHCVLCXXIG-SOFGYWHQSA-N -1 3 334.310 3.648 20 30 EHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)c(F)c1 ZINC000826400476 608229714 /nfs/dbraw/zinc/22/97/14/608229714.db2.gz ZYTMQVFQZSSGSQ-GQCTYLIASA-N -1 3 346.724 3.694 20 30 EHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)c(F)c1 ZINC000826400476 608229717 /nfs/dbraw/zinc/22/97/17/608229717.db2.gz ZYTMQVFQZSSGSQ-GQCTYLIASA-N -1 3 346.724 3.694 20 30 EHEDHM CC(CCC1CCCC1)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824400398 608540223 /nfs/dbraw/zinc/54/02/23/608540223.db2.gz HAQJJCYLUYNPAI-UHFFFAOYSA-N -1 3 333.827 3.673 20 30 EHEDHM CC(CCC1CCCC1)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824400398 608540225 /nfs/dbraw/zinc/54/02/25/608540225.db2.gz HAQJJCYLUYNPAI-UHFFFAOYSA-N -1 3 333.827 3.673 20 30 EHEDHM CC(=NNc1cccc(Cl)c1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000823963212 609276004 /nfs/dbraw/zinc/27/60/04/609276004.db2.gz 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CN(CC/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])Cc1ccccc1 ZINC000066887661 1042193845 /nfs/dbraw/zinc/19/38/45/1042193845.db2.gz HVVKRXZNJLESKK-YBFXNURJSA-N -1 3 347.802 3.505 20 30 EHEDHM Cc1nn(C(C)(C)C)cc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1 ZINC000344617407 1044206427 /nfs/dbraw/zinc/20/64/27/1044206427.db2.gz FSMQYFZPSRDFBE-ZDUSSCGKSA-N -1 3 335.411 3.621 20 30 EHEDHM Cc1ccc([N+](=O)[O-])c(C(=O)N([O-])CCCCc2ccccc2)c1 ZINC001649052274 1128029773 /nfs/dbraw/zinc/02/97/73/1128029773.db2.gz WDDMKDTVOUTWBL-UHFFFAOYSA-N -1 3 328.368 3.758 20 30 EHEDHM CNc1cc(C(=O)N([O-])Cc2cccc3ccccc32)cc(Cl)n1 ZINC001649069955 1128135089 /nfs/dbraw/zinc/13/50/89/1128135089.db2.gz NQAGCVNVIJBBEU-UHFFFAOYSA-N -1 3 341.798 3.962 20 30 EHEDHM COc1ccc(C(=O)CCCC(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC001649069708 1128135998 /nfs/dbraw/zinc/13/59/98/1128135998.db2.gz HLSOWEJZHIFNFE-UHFFFAOYSA-N -1 3 345.370 3.605 20 30 EHEDHM N#Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)ccc1Cl ZINC000055565501 1128523747 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Cc1ncc(CO)c(/C=N\CC2CCC(c3ccccc3)CC2)c1[O-] ZINC000730951013 1130753318 /nfs/dbraw/zinc/75/33/18/1130753318.db2.gz ITHLWDJLFMOOLC-XKZIYDEJSA-N -1 3 338.451 3.981 20 30 EHEDHM [O-]c1ccc(Br)cc1C=NNc1cnnc2ccccc21 ZINC000733748358 1131075479 /nfs/dbraw/zinc/07/54/79/1131075479.db2.gz SNTSMJLEOUPJKG-UHFFFAOYSA-N -1 3 343.184 3.544 20 30 EHEDHM Cc1ccc(N2CC[C@H](/N=C\c3cc(Cl)ccc3[O-])C2=O)cc1 ZINC000741465305 1131605247 /nfs/dbraw/zinc/60/52/47/1131605247.db2.gz UEEPZTUQJUVLFN-VBNMEBLOSA-N -1 3 328.799 3.578 20 30 EHEDHM Cc1cc(C(=O)/C=C/c2cc3c(cc2OC(F)F)OCO3)ccc1[O-] ZINC000741842378 1131655180 /nfs/dbraw/zinc/65/51/80/1131655180.db2.gz SKXRAYOQFGNHDP-HWKANZROSA-N -1 3 348.301 3.927 20 30 EHEDHM N#Cc1ccc(F)c(C/N=C/c2cc(Br)ccc2[O-])c1 ZINC000743042628 1131841452 /nfs/dbraw/zinc/84/14/52/1131841452.db2.gz MOKHKZBLSWJJOW-DJKKODMXSA-N -1 3 333.160 3.785 20 30 EHEDHM Cc1cc(C(C#N)=C([O-])C=Cc2cnc(C(C)(C)C)s2)nc(C)n1 ZINC000744025693 1132005633 /nfs/dbraw/zinc/00/56/33/1132005633.db2.gz GQKADQSIRYZJLC-LMVHVUTASA-N -1 3 340.452 3.737 20 30 EHEDHM CC[C@@H](/N=C\c1cc(Br)ccc1[O-])C1CCOCC1 ZINC000746393899 1132508339 /nfs/dbraw/zinc/50/83/39/1132508339.db2.gz MEAHXSNWUHQXDQ-AYCSXLNKSA-N -1 3 326.234 3.779 20 30 EHEDHM N#Cc1c(Nc2ccc(-c3nn[n-]n3)cc2)cccc1C(F)(F)F ZINC001175430051 1132667060 /nfs/dbraw/zinc/66/70/60/1132667060.db2.gz BZANQIRWEUJDDI-UHFFFAOYSA-N -1 3 330.273 3.501 20 30 EHEDHM N#CCCC[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccccc1 ZINC001129377902 1133059763 /nfs/dbraw/zinc/05/97/63/1133059763.db2.gz QICICGWLOUALTI-SFHVURJKSA-N -1 3 345.402 3.693 20 30 EHEDHM [O-]c1ccc(Br)cc1/C=N/CCSCC(F)(F)F ZINC000769550046 1133313170 /nfs/dbraw/zinc/31/31/70/1133313170.db2.gz YFBNFTSJEAQWEW-OMCISZLKSA-N -1 3 342.180 3.869 20 30 EHEDHM [O-]c1ccc(Br)cc1/C=N/Cc1ccc2c(c1)COC2 ZINC000769775560 1133339789 /nfs/dbraw/zinc/33/97/89/1133339789.db2.gz YGCRUQANCQNGOV-QGMBQPNBSA-N -1 3 332.197 3.804 20 30 EHEDHM N#CCOc1cc(F)ccc1NC(=O)c1cc2c(cc1[O-])CCCC2 ZINC000769994053 1133374675 /nfs/dbraw/zinc/37/46/75/1133374675.db2.gz RZVYIEOYMGLQAR-UHFFFAOYSA-N -1 3 340.354 3.565 20 30 EHEDHM C=CCC[C@@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccccc1 ZINC000772170648 1133654227 /nfs/dbraw/zinc/65/42/27/1133654227.db2.gz WLWXSSJOFHPVKU-MRXNPFEDSA-N -1 3 333.391 3.773 20 30 EHEDHM N#CCOc1cc(F)ccc1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787122403 1133955284 /nfs/dbraw/zinc/95/52/84/1133955284.db2.gz UKIPUROKHGFSLV-UHFFFAOYSA-N -1 3 346.333 3.534 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC1CCC(C)(C)CC1 ZINC000774768531 1133971991 /nfs/dbraw/zinc/97/19/91/1133971991.db2.gz JKGKEWPWLZKECV-UHFFFAOYSA-N -1 3 330.428 3.720 20 30 EHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@@H]2CCC(C)(C)C2)c(C)c1[O-] ZINC001185165413 1134042802 /nfs/dbraw/zinc/04/28/02/1134042802.db2.gz CNHFCUQDXYWLKQ-GFCCVEGCSA-N -1 3 344.411 3.514 20 30 EHEDHM C#Cc1ccc(C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2[O-])cc1 ZINC001188734400 1134502968 /nfs/dbraw/zinc/50/29/68/1134502968.db2.gz APDLTQNTGIIRAB-UHFFFAOYSA-N -1 3 337.375 3.581 20 30 EHEDHM C=C1CC=C(F)C=C1NC(=O)c1cccc(OC(F)(F)F)c1[O-] ZINC001189774888 1134625224 /nfs/dbraw/zinc/62/52/24/1134625224.db2.gz HYRRJNZPYTUTCL-UHFFFAOYSA-N -1 3 329.249 3.718 20 30 EHEDHM C=C(C)CN(Cc1ccccc1)C(=O)c1nnc2ccccc2c1[O-] ZINC000792530008 1134694057 /nfs/dbraw/zinc/69/40/57/1134694057.db2.gz FCSFBHXRDJVIPN-UHFFFAOYSA-N -1 3 333.391 3.554 20 30 EHEDHM COc1ccc(C=NNCC2(C)CCCC2)c(Br)c1[O-] ZINC000793084492 1134848929 /nfs/dbraw/zinc/84/89/29/1134848929.db2.gz PBVYHVYOWVKBOE-UHFFFAOYSA-N -1 3 341.249 3.667 20 30 EHEDHM Cc1coc([N-]C(=O)c2ccc(F)c(F)c2Br)c1C#N ZINC001191870370 1134937502 /nfs/dbraw/zinc/93/75/02/1134937502.db2.gz CBHQYJLVSLTZRH-UHFFFAOYSA-N -1 3 341.111 3.753 20 30 EHEDHM C[C@H](C#N)S(=O)(=O)[N-]c1cc(O)c(C(C)(C)C)cc1C(C)(C)C ZINC001193148900 1135109593 /nfs/dbraw/zinc/10/95/93/1135109593.db2.gz HINVBJKQYSLFFN-LLVKDONJSA-N -1 3 338.473 3.641 20 30 EHEDHM COc1cc(C(=O)[N-]c2c(C#N)oc3ccccc32)cc(OC)c1F ZINC001194287846 1135257227 /nfs/dbraw/zinc/25/72/27/1135257227.db2.gz YODIBHUTDWNYRS-UHFFFAOYSA-N -1 3 340.310 3.713 20 30 EHEDHM Cc1ncc(CO)c(/C=N\[C@H]2CCCOc3c(Cl)cccc32)c1[O-] ZINC000775628980 1135348481 /nfs/dbraw/zinc/34/84/81/1135348481.db2.gz CRKAXQJFAUIEQX-JRLSWLOKSA-N -1 3 346.814 3.574 20 30 EHEDHM CO[C@@H]1[C@H](C)[C@H](/N=C\c2cc(Br)ccc2[O-])C1(C)C ZINC000775631232 1135356355 /nfs/dbraw/zinc/35/63/55/1135356355.db2.gz RUJDKEIIDGILKN-JCZRPPOCSA-N -1 3 326.234 3.633 20 30 EHEDHM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000160830935 1135842211 /nfs/dbraw/zinc/84/22/11/1135842211.db2.gz TYINNAXWHMSIMY-UHFFFAOYSA-N -1 3 341.219 3.974 20 30 EHEDHM C#C[C@H](NCc1cccc(Br)c1[O-])c1ccc(F)cc1 ZINC000812794300 1136251325 /nfs/dbraw/zinc/25/13/25/1136251325.db2.gz YKHSXABYGRRTCN-HNNXBMFYSA-N -1 3 334.188 3.758 20 30 EHEDHM C=C[C@@H](OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccccc1 ZINC000851452692 1136379843 /nfs/dbraw/zinc/37/98/43/1136379843.db2.gz KNLJRHAQSWZTFM-GOSISDBHSA-N -1 3 336.391 3.679 20 30 EHEDHM [O-]c1c(C=NN2C(=S)N=NC2c2ccccc2)ccc2ccccc12 ZINC000814725842 1136495757 /nfs/dbraw/zinc/49/57/57/1136495757.db2.gz DNSOUAZMPLHACD-UHFFFAOYSA-N -1 3 346.415 3.975 20 30 EHEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cc(C(F)(F)F)nn1C ZINC000853002102 1136496960 /nfs/dbraw/zinc/49/69/60/1136496960.db2.gz HDXKFTHPPVCXRK-JGESFRBXSA-N -1 3 340.276 3.667 20 30 EHEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2oc(SC)cc2C)cc1 ZINC000853099898 1136509015 /nfs/dbraw/zinc/50/90/15/1136509015.db2.gz WJFRNUKMGANFOJ-AWEZNQCLSA-N -1 3 342.420 3.834 20 30 EHEDHM COc1cc(/C=C/C(=O)c2ccc(C#N)c(F)c2)cc(Cl)c1[O-] ZINC000776729690 1136612319 /nfs/dbraw/zinc/61/23/19/1136612319.db2.gz XBILMLMBGGXJRU-GORDUTHDSA-N -1 3 331.730 3.961 20 30 EHEDHM COCCN(Cc1ccc(C#N)cc1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816490924 1136724306 /nfs/dbraw/zinc/72/43/06/1136724306.db2.gz PNPGIVPORSVMBJ-UHFFFAOYSA-N -1 3 348.805 3.705 20 30 EHEDHM C=CCCO[N-]C(=O)C[C@H](C)c1ccc(F)c(Br)c1 ZINC000856035479 1136751157 /nfs/dbraw/zinc/75/11/57/1136751157.db2.gz ANAQYXBPFLBOIX-JTQLQIEISA-N -1 3 330.197 3.706 20 30 EHEDHM COC(=O)CC1CCC(N=Nc2nc3ccccc3[n-]c2=S)CC1 ZINC000863125144 1137171004 /nfs/dbraw/zinc/17/10/04/1137171004.db2.gz NVYZGQOBZYQRLX-UHFFFAOYSA-N -1 3 344.440 3.814 20 30 EHEDHM C=C[C@H](C)O[N-]C(=O)Nc1ncc(Cc2ccc(C)c(F)c2)s1 ZINC000844489468 1137228338 /nfs/dbraw/zinc/22/83/38/1137228338.db2.gz HYXHSZZVPAPWGB-NSHDSACASA-N -1 3 335.404 3.809 20 30 EHEDHM C=C[C@@H](C)O[N-]C(=O)Nc1ncc(Cc2ccc(C)c(F)c2)s1 ZINC000844489466 1137228506 /nfs/dbraw/zinc/22/85/06/1137228506.db2.gz HYXHSZZVPAPWGB-LLVKDONJSA-N -1 3 335.404 3.809 20 30 EHEDHM C=C[C@@H](C)O[N-]C(=O)Nc1nc(C)c(Cc2cccc(C)c2)s1 ZINC000844652683 1137242736 /nfs/dbraw/zinc/24/27/36/1137242736.db2.gz AHQYPSVAKYZIAW-GFCCVEGCSA-N -1 3 331.441 3.978 20 30 EHEDHM CCc1ccc(OCC(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)cc1 ZINC000845836718 1137314390 /nfs/dbraw/zinc/31/43/90/1137314390.db2.gz LJHAMYKLUANJMZ-IBGZPJMESA-N -1 3 347.414 3.638 20 30 EHEDHM N#CC(C(=O)C=Cc1ccco1)=C([O-])c1cc2c(s1)CCCC2 ZINC000845835809 1137314455 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COc1cnc(F)c(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)c1 ZINC000846936978 1137376333 /nfs/dbraw/zinc/37/63/33/1137376333.db2.gz PWOSUQDCPBGMJL-UHFFFAOYSA-N -1 3 333.388 3.712 20 30 EHEDHM CSc1ccc(O[C@@H](C)C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000076961076 1138136396 /nfs/dbraw/zinc/13/63/96/1138136396.db2.gz LDMIRYGMMSSQPM-ZETCQYMHSA-N -1 3 346.334 3.601 20 30 EHEDHM CSc1ccc(O[C@@H](C)C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000076961076 1138136398 /nfs/dbraw/zinc/13/63/98/1138136398.db2.gz LDMIRYGMMSSQPM-ZETCQYMHSA-N -1 3 346.334 3.601 20 30 EHEDHM CCc1oc(C(=O)[N-]c2sc(C)c(CC)c2C#N)cc1C(=O)OC ZINC000338526973 1138956731 /nfs/dbraw/zinc/95/67/31/1138956731.db2.gz UCPPOLKMCQZWCD-UHFFFAOYSA-N -1 3 346.408 3.685 20 30 EHEDHM CCOC(=O)N1CCC([C@@H](C)/N=C/c2cc(Cl)ccc2[O-])CC1 ZINC000777400953 1140063329 /nfs/dbraw/zinc/06/33/29/1140063329.db2.gz HPGOCZMEIBISKH-ZGXHQARYSA-N -1 3 338.835 3.722 20 30 EHEDHM Cc1cc2c(cc1C)C(=O)C(=Cc1cccc(-c3nnn[n-]3)c1)CCO2 ZINC000737283798 598862147 /nfs/dbraw/zinc/86/21/47/598862147.db2.gz HEJBIQUWRHNFMY-GDNBJRDFSA-N -1 3 346.390 3.532 20 30 EHEDHM Cc1cc2c(cc1C)C(=O)C(=Cc1cccc(-c3nn[n-]n3)c1)CCO2 ZINC000737283798 598862149 /nfs/dbraw/zinc/86/21/49/598862149.db2.gz HEJBIQUWRHNFMY-GDNBJRDFSA-N -1 3 346.390 3.532 20 30 EHEDHM O=C1C(=CC=Cc2ccccc2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823498383 599114244 /nfs/dbraw/zinc/11/42/44/599114244.db2.gz NFCNPYYPWWWARG-ORWRBEDVSA-N -1 3 328.375 3.635 20 30 EHEDHM O=C1C(=CC=Cc2ccccc2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823498383 599114246 /nfs/dbraw/zinc/11/42/46/599114246.db2.gz NFCNPYYPWWWARG-ORWRBEDVSA-N -1 3 328.375 3.635 20 30 EHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1cccc(Cl)c1 ZINC000823503329 599114599 /nfs/dbraw/zinc/11/45/99/599114599.db2.gz CXSRIFDPRYATNY-MDWZMJQESA-N -1 3 336.782 3.733 20 30 EHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1cccc(Cl)c1 ZINC000823503329 599114602 /nfs/dbraw/zinc/11/46/02/599114602.db2.gz CXSRIFDPRYATNY-MDWZMJQESA-N -1 3 336.782 3.733 20 30 EHEDHM Cc1ccccc1C=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737424152 598314869 /nfs/dbraw/zinc/31/48/69/598314869.db2.gz RZJSLFYCQKSVER-UHFFFAOYSA-N -1 3 346.316 3.640 20 30 EHEDHM Cc1ccccc1C=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737424152 598314870 /nfs/dbraw/zinc/31/48/70/598314870.db2.gz RZJSLFYCQKSVER-UHFFFAOYSA-N -1 3 346.316 3.640 20 30 EHEDHM CC(C)COc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735837117 598391875 /nfs/dbraw/zinc/39/18/75/598391875.db2.gz GGNABXFHVBNEJF-DHZHZOJOSA-N -1 3 348.406 3.798 20 30 EHEDHM CC(C)COc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735837117 598391877 /nfs/dbraw/zinc/39/18/77/598391877.db2.gz GGNABXFHVBNEJF-DHZHZOJOSA-N -1 3 348.406 3.798 20 30 EHEDHM N#Cc1ccc([C@@H](N[C@@H]2CCc3cc(Cl)ccc32)C(=O)[O-])cc1 ZINC000739105382 600596023 /nfs/dbraw/zinc/59/60/23/600596023.db2.gz GPLVFOVVNMDVIX-IAGOWNOFSA-N -1 3 326.783 3.614 20 30 EHEDHM COc1ccc2cc(CN[C@H](C(=O)[O-])c3cccc(C#N)c3)ccc2c1 ZINC000832504915 601299649 /nfs/dbraw/zinc/29/96/49/601299649.db2.gz ZGFWIVNGJWTJLU-FQEVSTJZSA-N -1 3 346.386 3.636 20 30 EHEDHM CCc1oc(C(=O)[O-])cc1CN(CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000830362932 601413596 /nfs/dbraw/zinc/41/35/96/601413596.db2.gz KDFIRQWMBHDYFX-ZDUSSCGKSA-N -1 3 326.396 3.995 20 30 EHEDHM O=C1C(=Cc2coc3ccccc23)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000826477248 607528184 /nfs/dbraw/zinc/52/81/84/607528184.db2.gz YNJDJECYJHINLR-RAXLEYEMSA-N -1 3 342.358 3.825 20 30 EHEDHM O=C1C(=Cc2coc3ccccc23)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000826477248 607528185 /nfs/dbraw/zinc/52/81/85/607528185.db2.gz YNJDJECYJHINLR-RAXLEYEMSA-N -1 3 342.358 3.825 20 30 EHEDHM CCCOc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000825339263 607884153 /nfs/dbraw/zinc/88/41/53/607884153.db2.gz UOYWJIAYZAMLML-XFXZXTDPSA-N -1 3 334.379 3.552 20 30 EHEDHM CCCOc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000825339263 607884154 /nfs/dbraw/zinc/88/41/54/607884154.db2.gz UOYWJIAYZAMLML-XFXZXTDPSA-N -1 3 334.379 3.552 20 30 EHEDHM O=C1c2cccc3c2[C@@H](CCC3)C1=Cc1ccccc1-c1nnn[n-]1 ZINC000826475661 608109529 /nfs/dbraw/zinc/10/95/29/608109529.db2.gz MOAMNESXCRNXAY-VUVCFOEZSA-N -1 3 328.375 3.567 20 30 EHEDHM O=C1c2cccc3c2[C@@H](CCC3)C1=Cc1ccccc1-c1nn[n-]n1 ZINC000826475661 608109530 /nfs/dbraw/zinc/10/95/30/608109530.db2.gz MOAMNESXCRNXAY-VUVCFOEZSA-N -1 3 328.375 3.567 20 30 EHEDHM C[C@@H](CN=Nc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000824384360 608109867 /nfs/dbraw/zinc/10/98/67/608109867.db2.gz BAQPFTKGQUXVTR-NSHDSACASA-N -1 3 326.791 3.722 20 30 EHEDHM C[C@@H](CN=Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000824384360 608109868 /nfs/dbraw/zinc/10/98/68/608109868.db2.gz BAQPFTKGQUXVTR-NSHDSACASA-N -1 3 326.791 3.722 20 30 EHEDHM N#Cc1c(Cl)cccc1SCc1cc(-c2nnn[n-]2)ccc1F ZINC000826383259 608206487 /nfs/dbraw/zinc/20/64/87/608206487.db2.gz ROYHGQNFVICANG-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM N#Cc1c(Cl)cccc1SCc1cc(-c2nn[n-]n2)ccc1F ZINC000826383259 608206488 /nfs/dbraw/zinc/20/64/88/608206488.db2.gz ROYHGQNFVICANG-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM O=C(C=Cc1cc2ccccc2o1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826399897 609270530 /nfs/dbraw/zinc/27/05/30/609270530.db2.gz JHEYXHFPPSSQDA-VURMDHGXSA-N -1 3 334.310 3.648 20 30 EHEDHM O=C(C=Cc1cc2ccccc2o1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826399897 609270531 /nfs/dbraw/zinc/27/05/31/609270531.db2.gz JHEYXHFPPSSQDA-VURMDHGXSA-N -1 3 334.310 3.648 20 30 EHEDHM O=C(C=Cc1coc2ccccc12)c1ccc(-c2nnn[n-]2)cc1F ZINC000826402885 609271151 /nfs/dbraw/zinc/27/11/51/609271151.db2.gz FBGIGGNDROKDOV-VURMDHGXSA-N -1 3 334.310 3.648 20 30 EHEDHM O=C(C=Cc1coc2ccccc12)c1ccc(-c2nn[n-]n2)cc1F ZINC000826402885 609271152 /nfs/dbraw/zinc/27/11/52/609271152.db2.gz FBGIGGNDROKDOV-VURMDHGXSA-N -1 3 334.310 3.648 20 30 EHEDHM Cc1cc(C)c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000826263040 609271664 /nfs/dbraw/zinc/27/16/64/609271664.db2.gz ITZKNTOMKLADHK-VOTSOKGWSA-N -1 3 336.370 3.827 20 30 EHEDHM Cc1cc(C)c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000826263040 609271665 /nfs/dbraw/zinc/27/16/65/609271665.db2.gz ITZKNTOMKLADHK-VOTSOKGWSA-N -1 3 336.370 3.827 20 30 EHEDHM CC(C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F)=Cc1ccccc1 ZINC000824385362 609273677 /nfs/dbraw/zinc/27/36/77/609273677.db2.gz RJHSSJFTDLEEKA-LFZMHEMLSA-N -1 3 334.354 3.848 20 30 EHEDHM CC(C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F)=Cc1ccccc1 ZINC000824385362 609273678 /nfs/dbraw/zinc/27/36/78/609273678.db2.gz RJHSSJFTDLEEKA-LFZMHEMLSA-N -1 3 334.354 3.848 20 30 EHEDHM CC1(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)CCCCCC1 ZINC000824817704 609518814 /nfs/dbraw/zinc/51/88/14/609518814.db2.gz QLSKZUIWYWDICT-UHFFFAOYSA-N -1 3 333.827 3.673 20 30 EHEDHM CC1(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)CCCCCC1 ZINC000824817704 609518816 /nfs/dbraw/zinc/51/88/16/609518816.db2.gz QLSKZUIWYWDICT-UHFFFAOYSA-N -1 3 333.827 3.673 20 30 EHEDHM CC(C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1)=Cc1ccccc1 ZINC000824385387 946675591 /nfs/dbraw/zinc/67/55/91/946675591.db2.gz RWCDPKROMVOXAH-CWOSXULZSA-N -1 3 334.354 3.848 20 30 EHEDHM CC(C=CC(=O)c1ccc(-c2nn[n-]n2)c(F)c1)=Cc1ccccc1 ZINC000824385387 946675600 /nfs/dbraw/zinc/67/56/00/946675600.db2.gz RWCDPKROMVOXAH-CWOSXULZSA-N -1 3 334.354 3.848 20 30 EHEDHM C=C(C)c1cccc(NC(=O)[C@H](C)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001573294507 946989682 /nfs/dbraw/zinc/98/96/82/946989682.db2.gz GNRPFJISQMAAPN-CQSZACIVSA-N -1 3 347.422 3.717 20 30 EHEDHM C=C(C)c1cccc(NC(=O)[C@H](C)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001573294507 946989689 /nfs/dbraw/zinc/98/96/89/946989689.db2.gz GNRPFJISQMAAPN-CQSZACIVSA-N -1 3 347.422 3.717 20 30 EHEDHM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1cccc(C#N)c1F ZINC001595362379 980770862 /nfs/dbraw/zinc/77/08/62/980770862.db2.gz BYWOXTYZIKJION-QGZVFWFLSA-N -1 3 326.371 3.735 20 30 EHEDHM C#CC[C@H]1CCCN(Cc2ccc(C(=O)[O-])cc2C(F)(F)F)C1 ZINC000902444774 980891423 /nfs/dbraw/zinc/89/14/23/980891423.db2.gz QNUFGBKIFIBOOQ-LBPRGKRZSA-N -1 3 325.330 3.639 20 30 EHEDHM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000562577300 1016090645 /nfs/dbraw/zinc/09/06/45/1016090645.db2.gz ABORVGYOVKXJBM-AWEZNQCLSA-N -1 3 349.283 3.741 20 30 EHEDHM CC(C)(C)c1nc2ccc(NC(=O)c3ccc(C#N)c([O-])c3)cc2[nH]1 ZINC000189971933 1016807570 /nfs/dbraw/zinc/80/75/70/1016807570.db2.gz ZXCLQUSIDMVKRR-UHFFFAOYSA-N -1 3 334.379 3.690 20 30 EHEDHM C=CCCC[C@H](N)c1nc(-c2cc(Cl)c([O-])c(OCC)c2)no1 ZINC000904684771 1032179128 /nfs/dbraw/zinc/17/91/28/1032179128.db2.gz WIAJHQQCIWWRPB-LBPRGKRZSA-N -1 3 337.807 3.850 20 30 EHEDHM O=C1NCCCN1c1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000255295473 1020728700 /nfs/dbraw/zinc/72/87/00/1020728700.db2.gz JLQZFGYMBYSUGC-UHFFFAOYSA-N -1 3 329.787 3.716 20 30 EHEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc3c(c2)OCO3)s1 ZINC000430587614 1020806280 /nfs/dbraw/zinc/80/62/80/1020806280.db2.gz WQXQHDOKRZKLPF-LLVKDONJSA-N -1 3 328.393 3.659 20 30 EHEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc3nccnc3c2)s1 ZINC000430598081 1020882636 /nfs/dbraw/zinc/88/26/36/1020882636.db2.gz NQNHSQPQDFROCU-GFCCVEGCSA-N -1 3 336.420 3.874 20 30 EHEDHM Cc1ccc(Cl)c(S(=O)(=O)[N-]CC2(C#N)CCCC2)c1Cl ZINC000593619821 1032986907 /nfs/dbraw/zinc/98/69/07/1032986907.db2.gz DECPBWOMIXAJGX-UHFFFAOYSA-N -1 3 347.267 3.664 20 30 EHEDHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2C)c(C)c1C ZINC000517616368 1022503254 /nfs/dbraw/zinc/50/32/54/1022503254.db2.gz ZMHHVGAFKBNGKM-UHFFFAOYSA-N -1 3 344.436 3.601 20 30 EHEDHM CCC[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C1CCCC1 ZINC000458347742 1023988622 /nfs/dbraw/zinc/98/86/22/1023988622.db2.gz STVCBYVEVLFUIQ-GOSISDBHSA-N -1 3 343.471 3.683 20 30 EHEDHM COc1ncc(C([O-])=C(C#N)c2nccc3ccccc32)cc1Cl ZINC000342386895 1025149783 /nfs/dbraw/zinc/14/97/83/1025149783.db2.gz IIAIHMOCLPJRSV-AWEZNQCLSA-N -1 3 337.766 3.782 20 30 EHEDHM N#Cc1cc(F)ccc1[N-]C(=O)c1cc(-c2cccc(F)c2)no1 ZINC000530714675 1026221987 /nfs/dbraw/zinc/22/19/87/1026221987.db2.gz DPQIOMJPBXUKLO-UHFFFAOYSA-N -1 3 325.274 3.744 20 30 EHEDHM C[C@](O)(CC/N=C\c1cc(Br)ccc1[O-])c1ccccc1 ZINC000588523110 1026381217 /nfs/dbraw/zinc/38/12/17/1026381217.db2.gz DIVDIHQSFBTCOD-LSPINASFSA-N -1 3 348.240 3.871 20 30 EHEDHM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(OCC)cc2C)c1 ZINC000501805381 1027538049 /nfs/dbraw/zinc/53/80/49/1027538049.db2.gz WZZVEVFJVJRSAX-UHFFFAOYSA-N -1 3 347.436 3.759 20 30 EHEDHM CCCc1c(C([O-])=C(C#N)c2nc(C)cs2)[nH]c(C)c1C(C)=O ZINC000048789402 1027715843 /nfs/dbraw/zinc/71/58/43/1027715843.db2.gz RMSKSXBKJBGADR-CYBMUJFWSA-N -1 3 329.425 3.733 20 30 EHEDHM CC[C@@H](C#N)Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000614799542 1027728901 /nfs/dbraw/zinc/72/89/01/1027728901.db2.gz WQJPCFPIFCSLGK-NSHDSACASA-N -1 3 345.815 3.569 20 30 EHEDHM CCCc1noc2nc(C3CC3)cc(C([O-])=C(C#N)c3ccccn3)c12 ZINC000194679947 1028532678 /nfs/dbraw/zinc/53/26/78/1028532678.db2.gz KKLFEYPEDRLMKE-CQSZACIVSA-N -1 3 346.390 3.938 20 30 EHEDHM CC(C)c1csc(C(C#N)=C([O-])c2ccc(N3CCCC3)nc2)n1 ZINC000156455599 1029843009 /nfs/dbraw/zinc/84/30/09/1029843009.db2.gz JSMKASIVROVIQX-CQSZACIVSA-N -1 3 340.452 3.752 20 30 EHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)cc1 ZINC000447274976 1030079073 /nfs/dbraw/zinc/07/90/73/1030079073.db2.gz RAJMQIXLLYQWDD-UHFFFAOYSA-N -1 3 342.351 3.758 20 30 EHEDHM N#Cc1ccc(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)cc1[O-] ZINC000190780436 1030938114 /nfs/dbraw/zinc/93/81/14/1030938114.db2.gz CSLGAEFIOQIICZ-UHFFFAOYSA-N -1 3 344.330 3.652 20 30 EHEDHM N#Cc1ccc(Sc2nnc([N-]c3ccccc3F)s2)nc1 ZINC000042817340 1031589488 /nfs/dbraw/zinc/58/94/88/1031589488.db2.gz YPLCEFIKUMGLJD-UHFFFAOYSA-N -1 3 329.385 3.839 20 30 EHEDHM CC(=O)c1c(C)[nH]c(C(=O)N([O-])Cc2ccc(F)cc2)c1C(C)C ZINC000904173831 1031822717 /nfs/dbraw/zinc/82/27/17/1031822717.db2.gz QINFLROZJXYRHS-UHFFFAOYSA-N -1 3 332.375 3.820 20 30 EHEDHM CCCCCCN([O-])C(=O)C1CCC(OC[C@H]2CCCO2)CC1 ZINC000904206563 1031831659 /nfs/dbraw/zinc/83/16/59/1031831659.db2.gz BRWLCSYIFXPPOZ-OFLPRAFFSA-N -1 3 327.465 3.539 20 30 EHEDHM COc1cc(/C=C\C(=O)c2occc2C)cc(Br)c1[O-] ZINC000255740631 1034302135 /nfs/dbraw/zinc/30/21/35/1034302135.db2.gz XNDYJIZDSWHWNF-ARJAWSKDSA-N -1 3 337.169 3.961 20 30 EHEDHM CCc1ccc([O-])c(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000091990239 1034724285 /nfs/dbraw/zinc/72/42/85/1034724285.db2.gz FMFOWSOIYBUURA-MOPGFXCFSA-N -1 3 334.419 3.867 20 30 EHEDHM [O-]c1ccc(Cl)cc1/C=N/CCOc1ccc(C(F)(F)F)cn1 ZINC000760212060 1035583814 /nfs/dbraw/zinc/58/38/14/1035583814.db2.gz POSJYDGGZYJECW-DNTJNYDQSA-N -1 3 344.720 3.957 20 30 EHEDHM COc1cccc(F)c1[N-]C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000582354081 1035727996 /nfs/dbraw/zinc/72/79/96/1035727996.db2.gz UWOUWXRXGCUMQY-UHFFFAOYSA-N -1 3 337.310 3.613 20 30 EHEDHM Cc1nn(-c2ccc(F)cc2)c(C)c1C([O-])=C(C#N)c1ccccn1 ZINC000041493242 1038099783 /nfs/dbraw/zinc/09/97/83/1038099783.db2.gz RVBIJDXSNPWBKM-INIZCTEOSA-N -1 3 334.354 3.513 20 30 EHEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)c1cccc(CC)c1[O-] ZINC000538742355 1038505500 /nfs/dbraw/zinc/50/55/00/1038505500.db2.gz ILZGQXGZOKEIDB-UHFFFAOYSA-N -1 3 325.408 3.792 20 30 EHEDHM C=C[C@@H](CC(=O)Nc1ccc(C(=O)OCC)cc1[O-])c1ccccc1 ZINC000538928550 1038600466 /nfs/dbraw/zinc/60/04/66/1038600466.db2.gz UDUZNHBSKGPTFQ-AWEZNQCLSA-N -1 3 339.391 3.867 20 30 EHEDHM Cc1ccn2cc(C([O-])=C(C#N)c3nc4ccccc4s3)nc2c1 ZINC000041502783 1038802165 /nfs/dbraw/zinc/80/21/65/1038802165.db2.gz KUHUZBNWRUCDGN-GFCCVEGCSA-N -1 3 332.388 3.743 20 30 EHEDHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1C(C)C ZINC000432773325 1039105380 /nfs/dbraw/zinc/10/53/80/1039105380.db2.gz FBGZSQVMFQMRLM-UHFFFAOYSA-N -1 3 344.436 3.800 20 30 EHEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(Br)cc1C(C)C ZINC000416956029 1039249875 /nfs/dbraw/zinc/24/98/75/1039249875.db2.gz MWNGGQSIRWIJAK-NSHDSACASA-N -1 3 345.262 3.616 20 30 EHEDHM C=CCn1cccc1C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000490088680 1040350522 /nfs/dbraw/zinc/35/05/22/1040350522.db2.gz IONJHYWJWBVWDV-UHFFFAOYSA-N -1 3 348.406 3.651 20 30 EHEDHM C=CCn1c2ccccc2nc1S[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000487191958 1040774997 /nfs/dbraw/zinc/77/49/97/1040774997.db2.gz UCKHNGPCHGXCIU-LBPRGKRZSA-N -1 3 326.425 3.880 20 30 EHEDHM CCO[C@@H]1C[C@H](/N=C/c2cc(Br)ccc2[O-])C12CCC2 ZINC000125178508 1041914088 /nfs/dbraw/zinc/91/40/88/1041914088.db2.gz RSSNHLSQCCCNME-UYHBEJOSSA-N -1 3 338.245 3.921 20 30 EHEDHM Cc1nn(C(C)(C)C)cc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1 ZINC000344617406 1044205171 /nfs/dbraw/zinc/20/51/71/1044205171.db2.gz FSMQYFZPSRDFBE-CYBMUJFWSA-N -1 3 335.411 3.621 20 30 EHEDHM CC(C)(CCC#N)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000344961093 1044752945 /nfs/dbraw/zinc/75/29/45/1044752945.db2.gz VPRQBTVSCVPWBO-UHFFFAOYSA-N -1 3 335.256 3.602 20 30 EHEDHM O=C(c1ccc(Cn2cccn2)cc1)N([O-])Cc1ccccc1Cl ZINC001649041499 1127809554 /nfs/dbraw/zinc/80/95/54/1127809554.db2.gz TZANETIFNQNLEU-UHFFFAOYSA-N -1 3 341.798 3.616 20 30 EHEDHM CCCCCCN([O-])C(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC001649057150 1128058099 /nfs/dbraw/zinc/05/80/99/1128058099.db2.gz QDNDARBMFFYLCR-SFHVURJKSA-N -1 3 336.451 3.978 20 30 EHEDHM O=C(c1c[nH]c(Br)c1)N([O-])Cc1cccc2ccccc21 ZINC001649069797 1128134203 /nfs/dbraw/zinc/13/42/03/1128134203.db2.gz ILLSSAPNJWQADN-UHFFFAOYSA-N -1 3 345.196 3.962 20 30 EHEDHM Cc1cc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)sn1 ZINC000785451238 1128641708 /nfs/dbraw/zinc/64/17/08/1128641708.db2.gz QPGHHDDBPNDHFV-UHFFFAOYSA-N -1 3 347.494 3.506 20 30 EHEDHM C=CCC[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000494889299 1120893917 /nfs/dbraw/zinc/89/39/17/1120893917.db2.gz BELILKSOXZOVAA-QGZVFWFLSA-N -1 3 333.395 3.555 20 30 EHEDHM C=CCC[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000494889299 1120893920 /nfs/dbraw/zinc/89/39/20/1120893920.db2.gz BELILKSOXZOVAA-QGZVFWFLSA-N -1 3 333.395 3.555 20 30 EHEDHM COc1ccc(CO[N-]C(=O)Cc2cccc3ccccc32)cc1C#N ZINC000153281464 1120935723 /nfs/dbraw/zinc/93/57/23/1120935723.db2.gz FSNAMEPPNDYGGS-UHFFFAOYSA-N -1 3 346.386 3.511 20 30 EHEDHM Cc1ncc(CO)c(C=Nc2cc(Cl)c(F)c(Cl)c2)c1[O-] ZINC000754822254 1121367311 /nfs/dbraw/zinc/36/73/11/1121367311.db2.gz ACITWWXHPPWZDW-UHFFFAOYSA-N -1 3 329.158 3.784 20 30 EHEDHM CCOc1cc(C=NNC(=S)Nc2ccccc2)cc(Cl)c1[O-] ZINC000915922872 1121984806 /nfs/dbraw/zinc/98/48/06/1121984806.db2.gz KNLFBTGBIWDCBO-UHFFFAOYSA-N -1 3 349.843 3.765 20 30 EHEDHM Cc1ncc(CO)c(/C=N\[C@H](C)c2cccc(OC(C)C)c2)c1[O-] ZINC000915978426 1122004758 /nfs/dbraw/zinc/00/47/58/1122004758.db2.gz DNBZFYIWGHMLSW-CROSZVBWSA-N -1 3 328.412 3.555 20 30 EHEDHM CCN1c2ccc(C)cc2C(=N[N-]c2ncc(Cl)cc2Cl)C1=O ZINC000917027780 1122443814 /nfs/dbraw/zinc/44/38/14/1122443814.db2.gz IAIURVQJVFSUMA-UHFFFAOYSA-N -1 3 349.221 3.880 20 30 EHEDHM COc1ccc(CNN=C(C)c2cc(Br)ccc2[O-])cc1 ZINC000917546874 1122627821 /nfs/dbraw/zinc/62/78/21/1122627821.db2.gz DBHFIAPKOVGPSA-UHFFFAOYSA-N -1 3 349.228 3.677 20 30 EHEDHM COc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1Cl ZINC000498978070 1123135565 /nfs/dbraw/zinc/13/55/65/1123135565.db2.gz JEIQJAXUASNYOD-LBPRGKRZSA-N -1 3 337.766 3.782 20 30 EHEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1ccc(-n2ccnc2)c(F)c1 ZINC000920386551 1123363296 /nfs/dbraw/zinc/36/32/96/1123363296.db2.gz CGBWETNANPLZQX-FBHDLOMBSA-N -1 3 329.762 3.990 20 30 EHEDHM Cc1ncc(CO)c(/C=N/CCc2cc(Cl)cc(Cl)c2)c1[O-] ZINC000920991408 1123444697 /nfs/dbraw/zinc/44/46/97/1123444697.db2.gz STQQOPSNAUNLBY-UFWORHAWSA-N -1 3 339.222 3.556 20 30 EHEDHM Cc1ccc(-c2cc(C(=O)OC[C@H](C#N)Cc3ccccc3)n[n-]2)o1 ZINC000175371433 1123665861 /nfs/dbraw/zinc/66/58/61/1123665861.db2.gz LBTNABUDEHNMJX-HNNXBMFYSA-N -1 3 335.363 3.517 20 30 EHEDHM Cc1ccc(-c2cc(C(=O)OC[C@H](C#N)Cc3ccccc3)[n-]n2)o1 ZINC000175371433 1123665872 /nfs/dbraw/zinc/66/58/72/1123665872.db2.gz LBTNABUDEHNMJX-HNNXBMFYSA-N -1 3 335.363 3.517 20 30 EHEDHM CC[C@H](/N=C/c1cc(Br)ccc1[O-])C(=O)OC(C)(C)C ZINC000843264035 1129638575 /nfs/dbraw/zinc/63/85/75/1129638575.db2.gz LXLVJXQKLZAORK-UWONZBIMSA-N -1 3 342.233 3.694 20 30 EHEDHM COCCOc1ccc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)cc1 ZINC000730464342 1130713478 /nfs/dbraw/zinc/71/34/78/1130713478.db2.gz PMWPTUBJGUFBCU-QJMZJAKPSA-N -1 3 342.366 3.940 20 30 EHEDHM CCc1cc2c(CN(CCC#N)CC(C)(C)C)cc(=O)oc2cc1[O-] ZINC000731848564 1130850553 /nfs/dbraw/zinc/85/05/53/1130850553.db2.gz VDIYEGIHAMRKHR-UHFFFAOYSA-N -1 3 342.439 3.823 20 30 EHEDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1sc(C)c(C)c1C#N ZINC000347975470 1131115565 /nfs/dbraw/zinc/11/55/65/1131115565.db2.gz VSHKNVGTGXJPLI-UHFFFAOYSA-N -1 3 345.380 3.796 20 30 EHEDHM N#CC1CCC(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000282602961 1131118209 /nfs/dbraw/zinc/11/82/09/1131118209.db2.gz QXLDHKJMVBZNPS-UHFFFAOYSA-N -1 3 347.267 3.602 20 30 EHEDHM Cc1cc(C(C#N)=C([O-])C=Cc2ccnc3ccccc23)nc(C)n1 ZINC000741110548 1131576434 /nfs/dbraw/zinc/57/64/34/1131576434.db2.gz HHNDGJGAJIXAKM-ZPUOCTKUSA-N -1 3 328.375 3.531 20 30 EHEDHM Cc1ccoc1C=Nn1c(=S)[n-]nc1SCc1ccccc1 ZINC000743429496 1131915624 /nfs/dbraw/zinc/91/56/24/1131915624.db2.gz QEXCVUIIZLBMQZ-UHFFFAOYSA-N -1 3 330.438 3.643 20 30 EHEDHM COc1cc(C=NNc2c(C)cc(C)cc2C)c([N+](=O)[O-])cc1[O-] ZINC000767126577 1132954223 /nfs/dbraw/zinc/95/42/23/1132954223.db2.gz FRJMIPGYSXIVTC-UHFFFAOYSA-N -1 3 329.356 3.680 20 30 EHEDHM CCOC(=O)c1cc(C#N)c(Nc2cc([O-])cc(Cl)c2)c(C)c1O ZINC001176625118 1132973047 /nfs/dbraw/zinc/97/30/47/1132973047.db2.gz VUEBSOKDFWRQCJ-UHFFFAOYSA-N -1 3 346.770 3.852 20 30 EHEDHM CCN(C)c1ccc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@H]2C)cn1 ZINC000790215277 1134382043 /nfs/dbraw/zinc/38/20/43/1134382043.db2.gz OMWVWJFQQFYVMA-GJSJWPQCSA-N -1 3 326.371 3.766 20 30 EHEDHM C=CC[C@@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1F)c1ccccc1 ZINC001190420395 1134697625 /nfs/dbraw/zinc/69/76/25/1134697625.db2.gz SVEFRFHKHFIAIQ-CQSZACIVSA-N -1 3 341.354 3.700 20 30 EHEDHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cccc(C#Cc2ccccc2)c1 ZINC000775473401 1134902979 /nfs/dbraw/zinc/90/29/79/1134902979.db2.gz UCIJEJNABXCEMB-LJQANCHMSA-N -1 3 336.391 3.666 20 30 EHEDHM O=C([N-]O[C@@H]1CCCCO1)Nc1cccc(C#Cc2ccccc2)c1 ZINC000775473401 1134902986 /nfs/dbraw/zinc/90/29/86/1134902986.db2.gz UCIJEJNABXCEMB-LJQANCHMSA-N -1 3 336.391 3.666 20 30 EHEDHM N#Cc1cc(F)c([N-]C(=O)c2c(F)ccc(O)c2F)c(Cl)c1 ZINC001192540587 1135032947 /nfs/dbraw/zinc/03/29/47/1135032947.db2.gz XZFZXJBHJBFOJU-UHFFFAOYSA-N -1 3 326.661 3.587 20 30 EHEDHM C=CC[C@@H](NC(=O)c1ccc(Br)c(=O)[n-]1)c1ccccc1 ZINC001193160760 1135111156 /nfs/dbraw/zinc/11/11/56/1135111156.db2.gz BPQIFMQCAKWWNR-CYBMUJFWSA-N -1 3 347.212 3.597 20 30 EHEDHM COc1nc(C)c(C(=O)[N-]c2sc3ccccc3c2C#N)s1 ZINC001193481440 1135141789 /nfs/dbraw/zinc/14/17/89/1135141789.db2.gz FIZZNAJASGKDCC-UHFFFAOYSA-N -1 3 329.406 3.799 20 30 EHEDHM C=CCOC(=O)Nc1c([O-])c(C(C)=O)ccc1OCc1ccccc1 ZINC001194330070 1135259740 /nfs/dbraw/zinc/25/97/40/1135259740.db2.gz ZYNLUUJDODZZGV-UHFFFAOYSA-N -1 3 341.363 3.908 20 30 EHEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCCOc3cc(Cl)ccc32)c1[O-] ZINC000775632196 1135361732 /nfs/dbraw/zinc/36/17/32/1135361732.db2.gz WXFDISFLTGLUFY-MSGYXIIISA-N -1 3 346.814 3.574 20 30 EHEDHM N#Cc1ccc(-c2ccccc2[N-]S(=O)(=O)Cc2ccccn2)cc1 ZINC001197829827 1135744884 /nfs/dbraw/zinc/74/48/84/1135744884.db2.gz OFNJNKDOLVKVTE-UHFFFAOYSA-N -1 3 349.415 3.562 20 30 EHEDHM N#Cc1cc([O-])cc(C(=O)OCc2ccc(Cl)c3cccnc23)c1 ZINC000811186693 1136056332 /nfs/dbraw/zinc/05/63/32/1136056332.db2.gz USXJEVAOMUPMGD-UHFFFAOYSA-N -1 3 338.750 3.822 20 30 EHEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)c1ncc(-c2ccccc2)o1 ZINC000811188058 1136056397 /nfs/dbraw/zinc/05/63/97/1136056397.db2.gz UNGKUSRVAQUBLL-GFCCVEGCSA-N -1 3 334.331 3.837 20 30 EHEDHM CCCCCCCCCCS(=O)(=O)[N-]c1cnc2ccnn2c1 ZINC001201834715 1136068852 /nfs/dbraw/zinc/06/88/52/1136068852.db2.gz UYHKCYPBRHLGEZ-UHFFFAOYSA-N -1 3 338.477 3.612 20 30 EHEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cc(SC)oc2C)cc1 ZINC000850759463 1136301059 /nfs/dbraw/zinc/30/10/59/1136301059.db2.gz JGKJQRSVFQNSDX-OAHLLOKOSA-N -1 3 342.420 3.834 20 30 EHEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cc(C(F)(F)F)nn1C ZINC000853002104 1136497004 /nfs/dbraw/zinc/49/70/04/1136497004.db2.gz HDXKFTHPPVCXRK-WVXOVRIESA-N -1 3 340.276 3.667 20 30 EHEDHM N#Cc1ccc(C(=O)[N-]c2c(F)ccc(Br)c2F)s1 ZINC001134627917 1136500503 /nfs/dbraw/zinc/50/05/03/1136500503.db2.gz CDTAFONOXPJLQD-UHFFFAOYSA-N -1 3 343.152 3.913 20 30 EHEDHM Cc1cccc(COCC(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)c1 ZINC000857033713 1136835176 /nfs/dbraw/zinc/83/51/76/1136835176.db2.gz JJIROSOWFRBZQL-LJQANCHMSA-N -1 3 347.414 3.521 20 30 EHEDHM Cc1cccc(COCC(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)c1 ZINC000857033712 1136835191 /nfs/dbraw/zinc/83/51/91/1136835191.db2.gz JJIROSOWFRBZQL-IBGZPJMESA-N -1 3 347.414 3.521 20 30 EHEDHM CC(C)(C#N)CCCOC(=O)c1cc([O-])cc(Br)c1 ZINC000860201264 1137049187 /nfs/dbraw/zinc/04/91/87/1137049187.db2.gz DUCHUFZKZGECSF-UHFFFAOYSA-N -1 3 326.190 3.641 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1(C)CCC(C)(C)CC1 ZINC000862965854 1137165780 /nfs/dbraw/zinc/16/57/80/1137165780.db2.gz ZGILJDKXAZBFMO-UHFFFAOYSA-N -1 3 343.471 3.683 20 30 EHEDHM Cc1cnc(Cl)c([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC000844824612 1137257253 /nfs/dbraw/zinc/25/72/53/1137257253.db2.gz CRBCWFJFWHQUEL-UHFFFAOYSA-N -1 3 349.843 3.645 20 30 EHEDHM Cc1ncc(CO)c(/C=N\C2CC(F)(c3cccc(Cl)c3)C2)c1[O-] ZINC000794846314 1137290915 /nfs/dbraw/zinc/29/09/15/1137290915.db2.gz ABZUFELCLMDKNO-AFPJDJCSSA-N -1 3 348.805 3.688 20 30 EHEDHM N#CC1(c2ccccc2)CCN(Cc2sccc2C(=O)[O-])CC1 ZINC001144664896 1137325030 /nfs/dbraw/zinc/32/50/30/1137325030.db2.gz MMTJUNHICMGQNT-UHFFFAOYSA-N -1 3 326.421 3.504 20 30 EHEDHM C=C[C@H](C)O[N-]C(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000846542759 1137354695 /nfs/dbraw/zinc/35/46/95/1137354695.db2.gz BPWSCRIMLXHQJP-MELADBBJSA-N -1 3 328.437 3.968 20 30 EHEDHM C=C[C@H](C)O[N-]C(=O)CCCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000846546206 1137354910 /nfs/dbraw/zinc/35/49/10/1137354910.db2.gz AJNIAJPBWKRTKK-JTQLQIEISA-N -1 3 330.211 3.969 20 30 EHEDHM N#Cc1ccc2c(c1)NC(=O)/C2=C\c1cc([O-])ccc1Br ZINC000773163726 1137471762 /nfs/dbraw/zinc/47/17/62/1137471762.db2.gz YDVYHPIIYAMJEG-QPEQYQDCSA-N -1 3 341.164 3.519 20 30 EHEDHM O=C(C/N=C/c1cc(Cl)ccc1[O-])Nc1cccc2cccnc21 ZINC000131194456 1137847720 /nfs/dbraw/zinc/84/77/20/1137847720.db2.gz JPKQHGRLPYBYPB-KEBDBYFISA-N -1 3 339.782 3.651 20 30 EHEDHM CSc1ccc(O[C@H](C)C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000076961078 1138136303 /nfs/dbraw/zinc/13/63/03/1138136303.db2.gz LDMIRYGMMSSQPM-SSDOTTSWSA-N -1 3 346.334 3.601 20 30 EHEDHM CSc1ccc(O[C@H](C)C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000076961078 1138136304 /nfs/dbraw/zinc/13/63/04/1138136304.db2.gz LDMIRYGMMSSQPM-SSDOTTSWSA-N -1 3 346.334 3.601 20 30 EHEDHM N#C[C@@H]([N-]C(=O)CC(F)(F)C(F)F)c1ccc(Cl)c(Cl)c1 ZINC000889813959 1139270571 /nfs/dbraw/zinc/27/05/71/1139270571.db2.gz DGVNTMGULDOWAP-SECBINFHSA-N -1 3 343.107 3.965 20 30 EHEDHM N#C[C@@H]([N-]C(=O)CC(F)(F)C(F)F)c1cccc(C(F)(F)F)c1 ZINC000889817177 1139270741 /nfs/dbraw/zinc/27/07/41/1139270741.db2.gz ZFVHOQCYJKONAL-SECBINFHSA-N -1 3 342.214 3.677 20 30 EHEDHM CCCCCC[C@H](C)CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736446823 599197125 /nfs/dbraw/zinc/19/71/25/599197125.db2.gz QGKVRINFOMHNGB-ZDUSSCGKSA-N -1 3 340.431 3.673 20 30 EHEDHM CCCCCC[C@H](C)CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736446823 599197127 /nfs/dbraw/zinc/19/71/27/599197127.db2.gz QGKVRINFOMHNGB-ZDUSSCGKSA-N -1 3 340.431 3.673 20 30 EHEDHM C[C@@H](SCc1ccc(F)cc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000736190709 599325702 /nfs/dbraw/zinc/32/57/02/599325702.db2.gz GZSZAZHPUPPAAX-LLVKDONJSA-N -1 3 339.399 3.872 20 30 EHEDHM C[C@@H](SCc1ccc(F)cc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000736190709 599325703 /nfs/dbraw/zinc/32/57/03/599325703.db2.gz GZSZAZHPUPPAAX-LLVKDONJSA-N -1 3 339.399 3.872 20 30 EHEDHM C[C@H](Nc1cccc(OCCCC#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820461653 599369426 /nfs/dbraw/zinc/36/94/26/599369426.db2.gz OYNZZUHVIHJOLV-AWEZNQCLSA-N -1 3 348.410 3.722 20 30 EHEDHM C[C@H](Nc1cccc(OCCCC#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820461653 599369428 /nfs/dbraw/zinc/36/94/28/599369428.db2.gz OYNZZUHVIHJOLV-AWEZNQCLSA-N -1 3 348.410 3.722 20 30 EHEDHM C=CCC[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000819734158 607379825 /nfs/dbraw/zinc/37/98/25/607379825.db2.gz JEVMZEJIZOMMME-QGZVFWFLSA-N -1 3 348.410 3.696 20 30 EHEDHM C=CCC[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000819734158 607379827 /nfs/dbraw/zinc/37/98/27/607379827.db2.gz JEVMZEJIZOMMME-QGZVFWFLSA-N -1 3 348.410 3.696 20 30 EHEDHM CC(C)Oc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736491099 600594245 /nfs/dbraw/zinc/59/42/45/600594245.db2.gz JJJHPPXRRHAUDX-IFXJQAMLSA-N -1 3 338.407 3.822 20 30 EHEDHM N#Cc1ccc([C@@H](N[C@H]2CCc3c2cccc3Cl)C(=O)[O-])cc1 ZINC000739105667 600595990 /nfs/dbraw/zinc/59/59/90/600595990.db2.gz IMOZOPPCCDPGCX-DLBZAZTESA-N -1 3 326.783 3.614 20 30 EHEDHM CC(C)COc1cccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000826905135 601302842 /nfs/dbraw/zinc/30/28/42/601302842.db2.gz DHIULMWSXPVOLB-LJQANCHMSA-N -1 3 338.407 3.509 20 30 EHEDHM CCN(Cc1ccc(C(=O)[O-])c(F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000829718063 601619801 /nfs/dbraw/zinc/61/98/01/601619801.db2.gz ALLXOWVTEPZKML-CYBMUJFWSA-N -1 3 326.371 3.979 20 30 EHEDHM C[C@@H](C(=O)[O-])[C@H](NCC#Cc1cccc(Cl)c1)c1ccccc1 ZINC000833412673 604954656 /nfs/dbraw/zinc/95/46/56/604954656.db2.gz WLRFGBMGSVKVEC-KDOFPFPSSA-N -1 3 327.811 3.743 20 30 EHEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1sc(C(C)C)nc1C ZINC000819773993 606200886 /nfs/dbraw/zinc/20/08/86/606200886.db2.gz ZVWKDBSPPKZMPX-UHFFFAOYSA-N -1 3 341.444 3.591 20 30 EHEDHM C=C[C@@H](CC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823883194 607992691 /nfs/dbraw/zinc/99/26/91/607992691.db2.gz KONVBFCPGPNVPS-GJZGRUSLSA-N -1 3 348.406 3.831 20 30 EHEDHM C=C[C@@H](CC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823883194 607992692 /nfs/dbraw/zinc/99/26/92/607992692.db2.gz KONVBFCPGPNVPS-GJZGRUSLSA-N -1 3 348.406 3.831 20 30 EHEDHM COc1ccc2oc(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3)cc2c1 ZINC000826213925 608109595 /nfs/dbraw/zinc/10/95/95/608109595.db2.gz SCJRNIKBIARTRT-VURMDHGXSA-N -1 3 346.346 3.518 20 30 EHEDHM COc1ccc2oc(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3)cc2c1 ZINC000826213925 608109596 /nfs/dbraw/zinc/10/95/96/608109596.db2.gz SCJRNIKBIARTRT-VURMDHGXSA-N -1 3 346.346 3.518 20 30 EHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)c(F)c1 ZINC000826399682 608229830 /nfs/dbraw/zinc/22/98/30/608229830.db2.gz CFYLSWFKYLUAJR-FPYGCLRLSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)c(F)c1 ZINC000826399682 608229831 /nfs/dbraw/zinc/22/98/31/608229831.db2.gz CFYLSWFKYLUAJR-FPYGCLRLSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1ccc(F)cc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400968 609274933 /nfs/dbraw/zinc/27/49/33/609274933.db2.gz MAQRUEVYHRMBMS-UTCJRWHESA-N -1 3 346.724 3.694 20 30 EHEDHM O=C(C=Cc1ccc(F)cc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400968 609274935 /nfs/dbraw/zinc/27/49/35/609274935.db2.gz MAQRUEVYHRMBMS-UTCJRWHESA-N -1 3 346.724 3.694 20 30 EHEDHM CC[C@H]1CCC[C@@H](CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C1 ZINC000825195540 609468507 /nfs/dbraw/zinc/46/85/07/609468507.db2.gz XBTBZTRWDOQVOI-WDEREUQCSA-N -1 3 333.827 3.529 20 30 EHEDHM CC[C@H]1CCC[C@@H](CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C1 ZINC000825195540 609468509 /nfs/dbraw/zinc/46/85/09/609468509.db2.gz XBTBZTRWDOQVOI-WDEREUQCSA-N -1 3 333.827 3.529 20 30 EHEDHM N#CC(=C([O-])C=Cc1cc(Br)ccc1F)c1ccccn1 ZINC000049456403 1014179982 /nfs/dbraw/zinc/17/99/82/1014179982.db2.gz JAWRBGBUIQMCDI-LLPBQKLSSA-N -1 3 345.171 3.873 20 30 EHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1Cl ZINC000059769825 1015583189 /nfs/dbraw/zinc/58/31/89/1015583189.db2.gz GEODVPVGFXIGJZ-UHFFFAOYSA-N -1 3 345.182 3.805 20 30 EHEDHM COc1ccc(C#N)cc1CN[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC001599476921 998548467 /nfs/dbraw/zinc/54/84/67/998548467.db2.gz PCDKTYMCCMDHAN-HXUWFJFHSA-N -1 3 346.386 3.636 20 30 EHEDHM COc1ccc(/C=C2\Oc3ccccc3C2=O)c(Br)c1[O-] ZINC000761008886 1032730970 /nfs/dbraw/zinc/73/09/70/1032730970.db2.gz BOAVMDHYMOKLJL-JYRVWZFOSA-N -1 3 347.164 3.780 20 30 EHEDHM COc1cc(/C=C\C(=O)c2ccc(NC(C)=O)cc2)cc(Cl)c1[O-] ZINC000588419504 1021193030 /nfs/dbraw/zinc/19/30/30/1021193030.db2.gz QRIWTULTQUIUQU-BAQGIRSFSA-N -1 3 345.782 3.909 20 30 EHEDHM Cc1cccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1[O-] ZINC000436873833 1021315992 /nfs/dbraw/zinc/31/59/92/1021315992.db2.gz OLOZARUPVCLNDQ-UHFFFAOYSA-N -1 3 328.371 3.748 20 30 EHEDHM Cc1c(N=Cc2ccc(O)c([O-])c2O)cccc1OCC(F)(F)F ZINC000255384882 1022281307 /nfs/dbraw/zinc/28/13/07/1022281307.db2.gz POKHYHYFBKWOOS-UHFFFAOYSA-N -1 3 341.285 3.804 20 30 EHEDHM COc1cc(C(=O)/C=C\c2ccc([N+](=O)[O-])c(Cl)c2)ccc1[O-] ZINC000588459354 1023220304 /nfs/dbraw/zinc/22/03/04/1023220304.db2.gz RROXHJAIGAAQAF-UTCJRWHESA-N -1 3 333.727 3.859 20 30 EHEDHM Cc1cccc2nc(C(C#N)=C([O-])c3occc3Br)[nH]c21 ZINC000435456917 1024944050 /nfs/dbraw/zinc/94/40/50/1024944050.db2.gz CFSZXBILNVPMLM-SECBINFHSA-N -1 3 344.168 3.717 20 30 EHEDHM C[C@@H](Oc1cc(C#N)ccc1[O-])C(F)(F)C(F)(F)C(F)(F)F ZINC001227346042 1025195990 /nfs/dbraw/zinc/19/59/90/1025195990.db2.gz RHJPHAXCBZLLTQ-ZCFIWIBFSA-N -1 3 331.187 3.864 20 30 EHEDHM C=CCC1(C(=O)Nc2ccc(-c3nc(C)cc(=O)[n-]3)cc2)CCCC1 ZINC000449808439 1033267103 /nfs/dbraw/zinc/26/71/03/1033267103.db2.gz ZOUDMEINPLHTND-UHFFFAOYSA-N -1 3 337.423 3.820 20 30 EHEDHM CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)N(C)CC3)n1 ZINC000530403502 1025773015 /nfs/dbraw/zinc/77/30/15/1025773015.db2.gz MUXMYFSCNYZQLV-CQSZACIVSA-N -1 3 325.437 3.749 20 30 EHEDHM C[C@@H](C#N)CN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])C1CC1 ZINC000436608597 1025941688 /nfs/dbraw/zinc/94/16/88/1025941688.db2.gz UWTUQAXPDBURKJ-AWEZNQCLSA-N -1 3 336.391 3.949 20 30 EHEDHM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1 ZINC000525867366 1030183418 /nfs/dbraw/zinc/18/34/18/1030183418.db2.gz BXPWGRHFPAVKBV-UHFFFAOYSA-N -1 3 345.182 3.805 20 30 EHEDHM Cc1[n-]c(S(=O)(=O)CCCCC(C)(C)C#N)nc1-c1ccccc1 ZINC000278338608 1030243378 /nfs/dbraw/zinc/24/33/78/1030243378.db2.gz UUVXDXZIMCTUTM-UHFFFAOYSA-N -1 3 345.468 3.879 20 30 EHEDHM Cc1nc(S(=O)(=O)CCCCC(C)(C)C#N)[n-]c1-c1ccccc1 ZINC000278338608 1030243393 /nfs/dbraw/zinc/24/33/93/1030243393.db2.gz UUVXDXZIMCTUTM-UHFFFAOYSA-N -1 3 345.468 3.879 20 30 EHEDHM CCN(C(=O)Cc1ccc([O-])c(F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000448777923 1031667402 /nfs/dbraw/zinc/66/74/02/1031667402.db2.gz QMHMWJNULKACOJ-CYBMUJFWSA-N -1 3 326.371 3.555 20 30 EHEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)=C([O-])c2scnc2C)cc1 ZINC000173985045 1033664573 /nfs/dbraw/zinc/66/45/73/1033664573.db2.gz LTQRVJGLBFJLGY-NHYWBVRUSA-N -1 3 341.436 3.926 20 30 EHEDHM Cc1ccc([C@@H](O)C/N=C\c2cc(Br)ccc2[O-])cc1 ZINC000255660908 1034054794 /nfs/dbraw/zinc/05/47/94/1034054794.db2.gz HIOPMRAZOVREDV-RSFAQHHSSA-N -1 3 334.213 3.616 20 30 EHEDHM N#CC(=C([O-])C=Cc1ccco1)c1nc2ccccc2n1C(F)F ZINC000255863941 1034837075 /nfs/dbraw/zinc/83/70/75/1034837075.db2.gz KNOOGHDIHRQXHT-KRZKBDHCSA-N -1 3 327.290 3.914 20 30 EHEDHM CC(C)(C)C1CCC(C#N)(NC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000450941126 1034964225 /nfs/dbraw/zinc/96/42/25/1034964225.db2.gz DWWUFKDZTXNKMP-UHFFFAOYSA-N -1 3 332.419 3.689 20 30 EHEDHM C=CCCOCCCCC(=O)N=c1cc(-c2cc(C)cc(C)c2)[n-][nH]1 ZINC000540625161 1035512703 /nfs/dbraw/zinc/51/27/03/1035512703.db2.gz IICSRMHSLRGENU-UHFFFAOYSA-N -1 3 341.455 3.817 20 30 EHEDHM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2sccc2C#N)cc1SC ZINC000102975931 1036782992 /nfs/dbraw/zinc/78/29/92/1036782992.db2.gz OMOBWUAAQBQJDY-UHFFFAOYSA-N -1 3 349.393 3.511 20 30 EHEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc2n[n-]nc21 ZINC000187835072 1037571027 /nfs/dbraw/zinc/57/10/27/1037571027.db2.gz ZVXDCJZHNNPOFA-NSHDSACASA-N -1 3 337.408 3.604 20 30 EHEDHM C=CC(C)(C)CC(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000888264623 1037982704 /nfs/dbraw/zinc/98/27/04/1037982704.db2.gz XGCZGVNFFKHVKN-UHFFFAOYSA-N -1 3 325.412 3.952 20 30 EHEDHM CCCc1sc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc1CC ZINC000125121810 1041899000 /nfs/dbraw/zinc/89/90/00/1041899000.db2.gz OFMORVVUQVGJIF-ZDUSSCGKSA-N -1 3 341.436 3.619 20 30 EHEDHM CC(C)(C)Oc1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)nc1 ZINC000344641346 1044220133 /nfs/dbraw/zinc/22/01/33/1044220133.db2.gz ULYXEBHICSOWGW-CYBMUJFWSA-N -1 3 334.379 3.625 20 30 EHEDHM Cc1csc([N-]C(=O)c2cnc(-c3ccccn3)s2)c1C#N ZINC000344903013 1044664307 /nfs/dbraw/zinc/66/43/07/1044664307.db2.gz TXPMNSVZTRDSHD-UHFFFAOYSA-N -1 3 326.406 3.699 20 30 EHEDHM O=C(c1ccc(OC(F)F)cn1)N([O-])CCCCc1ccccc1 ZINC001649051586 1128026450 /nfs/dbraw/zinc/02/64/50/1128026450.db2.gz BWFPTCGBWQXOIK-UHFFFAOYSA-N -1 3 336.338 3.537 20 30 EHEDHM O=C([C@@H]1CCO[C@H]1c1ccncc1)N([O-])Cc1cccc2ccccc21 ZINC001649069641 1128135587 /nfs/dbraw/zinc/13/55/87/1128135587.db2.gz FYVAZUXZEKJYMR-UXHICEINSA-N -1 3 348.402 3.730 20 30 EHEDHM Cc1cccc(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1[O-] ZINC000302924362 1128655917 /nfs/dbraw/zinc/65/59/17/1128655917.db2.gz AGAVRQMUMMPYME-UHFFFAOYSA-N -1 3 349.415 3.872 20 30 EHEDHM C=CCC[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000494889298 1120893847 /nfs/dbraw/zinc/89/38/47/1120893847.db2.gz BELILKSOXZOVAA-KRWDZBQOSA-N -1 3 333.395 3.555 20 30 EHEDHM C=CCC[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000494889298 1120893850 /nfs/dbraw/zinc/89/38/50/1120893850.db2.gz BELILKSOXZOVAA-KRWDZBQOSA-N -1 3 333.395 3.555 20 30 EHEDHM Cc1ccc2c(C)cc(=NN=C3C(=O)Nc4cc([O-])ccc43)[nH]c2c1C ZINC000915956097 1121992472 /nfs/dbraw/zinc/99/24/72/1121992472.db2.gz OLIWIYQWBWNVFS-UHFFFAOYSA-N -1 3 346.390 3.634 20 30 EHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1ccsc1 ZINC000916903366 1122383383 /nfs/dbraw/zinc/38/33/83/1122383383.db2.gz MVJCLOLNNVIGFC-HNNXBMFYSA-N -1 3 326.421 3.834 20 30 EHEDHM COC(=O)c1ccc(C([O-])=C(C#N)c2nccc3ccccc32)cc1F ZINC000616724218 1124024208 /nfs/dbraw/zinc/02/42/08/1124024208.db2.gz UHFGMCSUCWWPIZ-INIZCTEOSA-N -1 3 348.333 3.651 20 30 EHEDHM COc1cc(/C=C/C(=O)c2cncs2)cc(Br)c1[O-] ZINC000735793249 1131380925 /nfs/dbraw/zinc/38/09/25/1131380925.db2.gz VUGFTDCNYOYAPY-NSCUHMNNSA-N -1 3 340.198 3.516 20 30 EHEDHM COC(=O)C[C@H](/N=C/c1cc(Cl)ccc1[O-])c1ccc(OC)cc1 ZINC000732769987 1130955333 /nfs/dbraw/zinc/95/53/33/1130955333.db2.gz RANWHXTWKZPQGS-YODDIOPGSA-N -1 3 347.798 3.778 20 30 EHEDHM CC(=O)NCc1ccc(N=Cc2cc(Br)ccc2[O-])cc1 ZINC000733081203 1130989145 /nfs/dbraw/zinc/98/91/45/1130989145.db2.gz QTCSPRVQECTHPE-UHFFFAOYSA-N -1 3 347.212 3.541 20 30 EHEDHM Cc1ccc(Oc2ccc(N=Cc3c([O-])c(C)ncc3CO)cc2)nc1 ZINC000733205068 1131004495 /nfs/dbraw/zinc/00/44/95/1131004495.db2.gz JOEJYTCONRSUCI-UHFFFAOYSA-N -1 3 349.390 3.834 20 30 EHEDHM COC(=O)Nc1ccc(CCN=Cc2cc(Cl)ccc2[O-])cc1 ZINC000737441229 1131631868 /nfs/dbraw/zinc/63/18/68/1131631868.db2.gz ZGPDGAQLTUCGOC-ODLFYWEKSA-N -1 3 332.787 3.886 20 30 EHEDHM O=C1CN(N=Cc2c3ccccc3c(Cl)c3ccccc23)C(=O)[N-]1 ZINC000744806958 1132153976 /nfs/dbraw/zinc/15/39/76/1132153976.db2.gz DRHATPQDNNMGTO-UHFFFAOYSA-N -1 3 337.766 3.532 20 30 EHEDHM Cc1ncc(CO)c(/C=N\[C@H](C)Cc2ccc(C(C)C)cc2)c1[O-] ZINC000766673395 1132735691 /nfs/dbraw/zinc/73/56/91/1132735691.db2.gz VYMBAVVWSJPUAK-WHJAWBAWSA-N -1 3 326.440 3.761 20 30 EHEDHM CC(C)(C)c1noc([N-]c2cnn(Cc3cccs3)c2)c1C#N ZINC001176159137 1132868268 /nfs/dbraw/zinc/86/82/68/1132868268.db2.gz HZIREWWNNLMDPW-UHFFFAOYSA-N -1 3 327.413 3.894 20 30 EHEDHM CCc1nc2ccccc2n1N=Cc1cc(Br)ccc1[O-] ZINC000767361987 1132989857 /nfs/dbraw/zinc/98/98/57/1132989857.db2.gz LARNZYCXJQYVEB-UHFFFAOYSA-N -1 3 344.212 3.949 20 30 EHEDHM Cc1ncc(CC/N=C/c2cc(Br)ccc2[O-])s1 ZINC000771836411 1133597972 /nfs/dbraw/zinc/59/79/72/1133597972.db2.gz MWOFAZOOFXURRJ-VIZOYTHASA-N -1 3 325.231 3.581 20 30 EHEDHM CC(C)(C(=O)Nc1ccc([O-])c(C#N)c1)c1ccc(C(=O)C2CC2)cc1 ZINC001183030629 1133759171 /nfs/dbraw/zinc/75/91/71/1133759171.db2.gz NIYBJVGMIFKJDG-UHFFFAOYSA-N -1 3 348.402 3.773 20 30 EHEDHM COc1cc(C)cc(C(=O)N([O-])Cc2cccc3ccccc32)c1O ZINC001184339098 1133929780 /nfs/dbraw/zinc/92/97/80/1133929780.db2.gz CCHNMKNXZLZVOF-UHFFFAOYSA-N -1 3 337.375 3.894 20 30 EHEDHM O=C(c1cc(C(F)F)ncn1)N([O-])Cc1cccc2ccccc21 ZINC001184339521 1133929802 /nfs/dbraw/zinc/92/98/02/1133929802.db2.gz GSFHEQNMOHSCLO-UHFFFAOYSA-N -1 3 329.306 3.599 20 30 EHEDHM Cc1onc(-c2ccc(F)cc2)c1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001184348480 1133930711 /nfs/dbraw/zinc/93/07/11/1133930711.db2.gz OPSMQMUQXPZICX-UHFFFAOYSA-N -1 3 344.317 3.960 20 30 EHEDHM CCc1ccc(C(=O)NCc2cccc(O[C@@H](C#N)CC)c2)c([O-])c1 ZINC000786980973 1133936498 /nfs/dbraw/zinc/93/64/98/1133936498.db2.gz IRKXMPBPYZDSBM-MRXNPFEDSA-N -1 3 338.407 3.566 20 30 EHEDHM CN(C)[C@@H](C/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccc(Cl)cc1 ZINC000746816773 1134274321 /nfs/dbraw/zinc/27/43/21/1134274321.db2.gz UJPGQCGRBYQSQF-WSLMLHKMSA-N -1 3 347.802 3.676 20 30 EHEDHM COc1cc(Cl)c(Cl)cc1N=Cc1c([O-])c(C)ncc1CO ZINC000790097958 1134370649 /nfs/dbraw/zinc/37/06/49/1134370649.db2.gz CPWOWKAGAJOIPY-UHFFFAOYSA-N -1 3 341.194 3.654 20 30 EHEDHM N#Cc1ccc(-c2ccc(C(=O)Nc3ncccc3[O-])cc2)cc1F ZINC001188696848 1134496378 /nfs/dbraw/zinc/49/63/78/1134496378.db2.gz TZYNXCAFVJYLJJ-UHFFFAOYSA-N -1 3 333.322 3.717 20 30 EHEDHM CCOc1cc(/C=C/C(=O)c2cn3ccccc3n2)cc(Cl)c1[O-] ZINC000791427018 1134556616 /nfs/dbraw/zinc/55/66/16/1134556616.db2.gz FUDRXDHSOPMDMV-VOTSOKGWSA-N -1 3 342.782 3.988 20 30 EHEDHM N#Cc1cnoc1[N-]C(=O)Nc1cc(Br)ccc1Cl ZINC001190852906 1134759170 /nfs/dbraw/zinc/75/91/70/1134759170.db2.gz YUAFBGQURCJGEF-UHFFFAOYSA-N -1 3 341.552 3.606 20 30 EHEDHM COc1cc(C=NN[C@@H](C)C(C)(C)C)cc(Br)c1[O-] ZINC000793115799 1134856552 /nfs/dbraw/zinc/85/65/52/1134856552.db2.gz PASLSZMXJHNEKL-VIFPVBQESA-N -1 3 329.238 3.521 20 30 EHEDHM Cc1noc([N-]C(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1C#N ZINC001192283985 1134993514 /nfs/dbraw/zinc/99/35/14/1134993514.db2.gz SMGKAJRKMWPXLS-UHFFFAOYSA-N -1 3 342.689 3.754 20 30 EHEDHM CCCCCCCOC(=O)Nc1cc(F)c([O-])cc1C(=O)OC ZINC001194009113 1135213564 /nfs/dbraw/zinc/21/35/64/1135213564.db2.gz NSICBUHCSUFYMA-UHFFFAOYSA-N -1 3 327.352 3.837 20 30 EHEDHM C#Cc1ccccc1[N-]S(=O)(=O)Cc1cccc(Cl)c1Cl ZINC001197753703 1135734789 /nfs/dbraw/zinc/73/47/89/1135734789.db2.gz ZKKJRUQVEZNDOX-UHFFFAOYSA-N -1 3 340.231 3.917 20 30 EHEDHM N#Cc1ccc(F)c(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)c1 ZINC001131534474 1135771456 /nfs/dbraw/zinc/77/14/56/1135771456.db2.gz CJMXJAIOBYBHPD-XQRVVYSFSA-N -1 3 340.339 3.565 20 30 EHEDHM O=C1OCc2c1cccc2N=Cc1cc(Br)ccc1[O-] ZINC000809145133 1135790235 /nfs/dbraw/zinc/79/02/35/1135790235.db2.gz YAOMCMXHYRQAJB-UHFFFAOYSA-N -1 3 332.153 3.576 20 30 EHEDHM O=C1OCc2ccc(N=Cc3cc(Br)ccc3[O-])cc21 ZINC000809144537 1135790376 /nfs/dbraw/zinc/79/03/76/1135790376.db2.gz OIDZBOHFUWHVRW-UHFFFAOYSA-N -1 3 332.153 3.576 20 30 EHEDHM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1cc(OCC2CCC2)ccn1 ZINC001199537223 1135911633 /nfs/dbraw/zinc/91/16/33/1135911633.db2.gz VPXAYEOKMWYIQW-UHFFFAOYSA-N -1 3 343.333 3.663 20 30 EHEDHM N#Cc1cc([O-])cc(C(=O)OCc2cc3ccccc3c(Cl)n2)c1 ZINC000811188489 1136056712 /nfs/dbraw/zinc/05/67/12/1136056712.db2.gz LXDSMRVAWDERCY-UHFFFAOYSA-N -1 3 338.750 3.822 20 30 EHEDHM C#C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ccc(Cl)cc1F ZINC000811523921 1136098748 /nfs/dbraw/zinc/09/87/48/1136098748.db2.gz GYIQXMJCUNCIBW-OAHLLOKOSA-N -1 3 338.165 3.942 20 30 EHEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1ccc(Br)nc1 ZINC000811696770 1136126624 /nfs/dbraw/zinc/12/66/24/1136126624.db2.gz PWQJYDSKQHIHJR-DUXPYHPUSA-N -1 3 340.123 3.724 20 30 EHEDHM Cc1oc(-c2ccccc2)nc1COC(=O)c1cc([O-])cc(C#N)c1 ZINC000776273188 1136128291 /nfs/dbraw/zinc/12/82/91/1136128291.db2.gz DDLLSKWIOVODQC-UHFFFAOYSA-N -1 3 334.331 3.584 20 30 EHEDHM Cc1ccc(-c2cc(C(=O)[N-]c3nc(Cl)c(C#N)s3)on2)cc1 ZINC000813370886 1136324673 /nfs/dbraw/zinc/32/46/73/1136324673.db2.gz SVHNPAGYOKTMKL-UHFFFAOYSA-N -1 3 344.783 3.884 20 30 EHEDHM CC(C)(C)C1N=NC(=S)N1N=Cc1ccc2ccccc2c1[O-] ZINC000814729089 1136496062 /nfs/dbraw/zinc/49/60/62/1136496062.db2.gz ZYMKOYNTCYYTMJ-UHFFFAOYSA-N -1 3 326.425 3.605 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@H](C)C1CCCCC1 ZINC000815181660 1136563413 /nfs/dbraw/zinc/56/34/13/1136563413.db2.gz FGCYYUPHACUNSZ-CYBMUJFWSA-N -1 3 344.455 3.968 20 30 EHEDHM Cc1ccccc1COCC(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1 ZINC000857033407 1136835167 /nfs/dbraw/zinc/83/51/67/1136835167.db2.gz DNWARRDIWNPAPP-LJQANCHMSA-N -1 3 347.414 3.521 20 30 EHEDHM Cc1ccc(COCC(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)cc1 ZINC000857033737 1136835230 /nfs/dbraw/zinc/83/52/30/1136835230.db2.gz KEEOCVPNDNCUNO-IBGZPJMESA-N -1 3 347.414 3.521 20 30 EHEDHM CCn1nc(C)c(C=NNc2nc3ccccc3[n-]c2=S)c1C ZINC000863128152 1137170905 /nfs/dbraw/zinc/17/09/05/1137170905.db2.gz GRIMVYMYZPTIKZ-UHFFFAOYSA-N -1 3 326.429 3.572 20 30 EHEDHM CCC(=NNc1nc2ccccc2[n-]c1=S)c1c(C)nn(C)c1C ZINC000863129300 1137170941 /nfs/dbraw/zinc/17/09/41/1137170941.db2.gz UJOPSOGVYFCVMV-UHFFFAOYSA-N -1 3 340.456 3.869 20 30 EHEDHM C=C[C@@H](C)O[N-]C(=O)CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000846545982 1137354804 /nfs/dbraw/zinc/35/48/04/1137354804.db2.gz RDUYHEXVUIPQPM-GDBMZVCRSA-N -1 3 348.443 3.655 20 30 EHEDHM COc1cnc(F)c(C(=O)[N-]c2sc3c(c2C#N)CC[C@H](C)C3)c1 ZINC000846769031 1137364283 /nfs/dbraw/zinc/36/42/83/1137364283.db2.gz UVLNJMBBQSPXSK-VIFPVBQESA-N -1 3 345.399 3.540 20 30 EHEDHM COC(=O)c1ccc(Cl)c(/C=C\C(=O)c2ccc([O-])c(OC)c2)c1 ZINC000794933074 1137366291 /nfs/dbraw/zinc/36/62/91/1137366291.db2.gz FXCKQLQACOUPRA-DAXSKMNVSA-N -1 3 346.766 3.737 20 30 EHEDHM Cc1cccc([C@@H](O)C/N=C/c2cc(Br)ccc2[O-])c1 ZINC000128467470 1137780194 /nfs/dbraw/zinc/78/01/94/1137780194.db2.gz GHEFMDGWDAEGAQ-ZJTXRKTBSA-N -1 3 334.213 3.616 20 30 EHEDHM N#Cc1c([N-]C(=O)c2coc3c2C(=O)CCC3)sc2c1CCCC2 ZINC000887632444 1138580465 /nfs/dbraw/zinc/58/04/65/1138580465.db2.gz PGEFFVDIKDWQLM-UHFFFAOYSA-N -1 3 340.404 3.863 20 30 EHEDHM CCOC(=O)N1CCC([C@H](C)/N=C/c2cc(Cl)ccc2[O-])CC1 ZINC000777400950 1140063269 /nfs/dbraw/zinc/06/32/69/1140063269.db2.gz HPGOCZMEIBISKH-MKFNJMOCSA-N -1 3 338.835 3.722 20 30 EHEDHM c1ccc(C[C@H]2CCCC2N=Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000738429248 599286643 /nfs/dbraw/zinc/28/66/43/599286643.db2.gz WLZWDGXNAICTAM-OAHLLOKOSA-N -1 3 332.411 3.677 20 30 EHEDHM c1ccc(C[C@H]2CCCC2N=Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000738429248 599286644 /nfs/dbraw/zinc/28/66/44/599286644.db2.gz WLZWDGXNAICTAM-OAHLLOKOSA-N -1 3 332.411 3.677 20 30 EHEDHM CCN(CC)c1ccc(/C=[NH+]\[C@H](CC(=O)[O-])c2ccccc2)c([O-])c1 ZINC000737088422 600494304 /nfs/dbraw/zinc/49/43/04/600494304.db2.gz MADFEMDRCWTDBB-MKYLKIGJSA-N -1 3 340.423 3.873 20 30 EHEDHM Cc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c(C)s1 ZINC000822161977 607456732 /nfs/dbraw/zinc/45/67/32/607456732.db2.gz VTTBAEQJYWRTQH-AATRIKPKSA-N -1 3 328.372 3.580 20 30 EHEDHM Cc1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)c(C)s1 ZINC000822161977 607456734 /nfs/dbraw/zinc/45/67/34/607456734.db2.gz VTTBAEQJYWRTQH-AATRIKPKSA-N -1 3 328.372 3.580 20 30 EHEDHM C=CCCCC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819734337 606272284 /nfs/dbraw/zinc/27/22/84/606272284.db2.gz MGPVQWWBADYYQV-UHFFFAOYSA-N -1 3 349.394 3.954 20 30 EHEDHM C=CCCCC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819734337 606272286 /nfs/dbraw/zinc/27/22/86/606272286.db2.gz MGPVQWWBADYYQV-UHFFFAOYSA-N -1 3 349.394 3.954 20 30 EHEDHM Cc1[nH]c2ccccc2c1C(=O)C=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822010246 606390381 /nfs/dbraw/zinc/39/03/81/606390381.db2.gz VBNJZXCTVRDTKB-SOFGYWHQSA-N -1 3 335.392 3.614 20 30 EHEDHM CCCCCCCCCN(C)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821055425 606497238 /nfs/dbraw/zinc/49/72/38/606497238.db2.gz AJLSXVPIVOZMJV-UHFFFAOYSA-N -1 3 335.477 3.751 20 30 EHEDHM CCCCCCCCCN(C)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821055425 606497241 /nfs/dbraw/zinc/49/72/41/606497241.db2.gz AJLSXVPIVOZMJV-UHFFFAOYSA-N -1 3 335.477 3.751 20 30 EHEDHM C=CCCCCCN(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000819739637 607194536 /nfs/dbraw/zinc/19/45/36/607194536.db2.gz BHEMYRLZXSUVGS-UHFFFAOYSA-N -1 3 348.838 3.730 20 30 EHEDHM C=CCCCCCN(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819739637 607194537 /nfs/dbraw/zinc/19/45/37/607194537.db2.gz BHEMYRLZXSUVGS-UHFFFAOYSA-N -1 3 348.838 3.730 20 30 EHEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)[C@@H](C)C1CCCCC1 ZINC000823953865 608535607 /nfs/dbraw/zinc/53/56/07/608535607.db2.gz SWBSEJVXWDUMCG-SNVBAGLBSA-N -1 3 347.854 3.919 20 30 EHEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)[C@@H](C)C1CCCCC1 ZINC000823953865 608535608 /nfs/dbraw/zinc/53/56/08/608535608.db2.gz SWBSEJVXWDUMCG-SNVBAGLBSA-N -1 3 347.854 3.919 20 30 EHEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nnn[n-]3)c1)CC2 ZINC000826293996 608883651 /nfs/dbraw/zinc/88/36/51/608883651.db2.gz GMZGLMCYNCGPDV-NTEUORMPSA-N -1 3 334.354 3.527 20 30 EHEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nn[n-]n3)c1)CC2 ZINC000826293996 608883653 /nfs/dbraw/zinc/88/36/53/608883653.db2.gz GMZGLMCYNCGPDV-NTEUORMPSA-N -1 3 334.354 3.527 20 30 EHEDHM CC[C@H]1CCC[C@H](CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C1 ZINC000825195538 609468674 /nfs/dbraw/zinc/46/86/74/609468674.db2.gz XBTBZTRWDOQVOI-QWRGUYRKSA-N -1 3 333.827 3.529 20 30 EHEDHM CC[C@H]1CCC[C@H](CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C1 ZINC000825195538 609468678 /nfs/dbraw/zinc/46/86/78/609468678.db2.gz XBTBZTRWDOQVOI-QWRGUYRKSA-N -1 3 333.827 3.529 20 30 EHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cc(F)ccc1F ZINC000823958771 609470982 /nfs/dbraw/zinc/47/09/82/609470982.db2.gz VQLYCZKTPQECNZ-UHFFFAOYSA-N -1 3 348.744 3.634 20 30 EHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cc(F)ccc1F ZINC000823958771 609470984 /nfs/dbraw/zinc/47/09/84/609470984.db2.gz VQLYCZKTPQECNZ-UHFFFAOYSA-N -1 3 348.744 3.634 20 30 EHEDHM CCSc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000825674140 947286364 /nfs/dbraw/zinc/28/63/64/947286364.db2.gz IKJQEORLLPGPKW-CLFYSBASSA-N -1 3 342.449 3.936 20 30 EHEDHM Cc1cccc([C@H](NCc2cccc(OCCCC#N)c2)C(=O)[O-])c1 ZINC000904262414 956950553 /nfs/dbraw/zinc/95/05/53/956950553.db2.gz GSPNODZSULFNBF-IBGZPJMESA-N -1 3 338.407 3.593 20 30 EHEDHM CCc1cc(C#N)c([N-]C(=O)c2cccc(Cl)c2[N+](=O)[O-])s1 ZINC000175763942 1015423609 /nfs/dbraw/zinc/42/36/09/1015423609.db2.gz HZDKWQFPZRYFOJ-UHFFFAOYSA-N -1 3 335.772 3.996 20 30 EHEDHM N#CC1([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCCCCC1 ZINC000040364949 1016506661 /nfs/dbraw/zinc/50/66/61/1016506661.db2.gz AYEJFYJYJHTQLO-UHFFFAOYSA-N -1 3 347.267 3.888 20 30 EHEDHM C[C@@H]1[C@@H](C(=O)[N-][C@@H](c2c(F)cccc2F)C(F)(F)F)C1(F)F ZINC000461091106 1032258941 /nfs/dbraw/zinc/25/89/41/1032258941.db2.gz BRCXSPFFMZTHTR-BDGWPESGSA-N -1 3 329.215 3.586 20 30 EHEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1nccn1CC(F)(F)F ZINC000728699518 1017718931 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C=CCc1cccc(C(C)C)c1NC(=O)NCc1ncccc1[O-] ZINC000347256366 1025765685 /nfs/dbraw/zinc/76/56/85/1025765685.db2.gz GSPSZSPRDUCBTL-UHFFFAOYSA-N -1 3 325.412 3.961 20 30 EHEDHM CCc1noc(C)c1C(=O)[N-]c1n[nH]c(-c2ccccc2Cl)n1 ZINC000076638258 1027308679 /nfs/dbraw/zinc/30/86/79/1027308679.db2.gz LRSKVNXIKDGHMQ-UHFFFAOYSA-N -1 3 331.763 3.620 20 30 EHEDHM CC(C)Oc1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cn1 ZINC000048848428 1027725008 /nfs/dbraw/zinc/72/50/08/1027725008.db2.gz JHMDEVWXIZDHMB-ZDUSSCGKSA-N -1 3 349.312 3.773 20 30 EHEDHM C=CCN(C)Cc1cc(Br)c([O-])c(Br)c1 ZINC000668010759 1030351392 /nfs/dbraw/zinc/35/13/92/1030351392.db2.gz HHKLLTPCVQYWAO-UHFFFAOYSA-N -1 3 335.039 3.535 20 30 EHEDHM N#Cc1ccc(C2(NCc3cccc([O-])c3Cl)CCOCC2)cc1 ZINC000527809253 1031245477 /nfs/dbraw/zinc/24/54/77/1031245477.db2.gz IYJMHTOHRMSJQA-UHFFFAOYSA-N -1 3 342.826 3.713 20 30 EHEDHM O=C(c1cccc([C@H]2CCOC2)c1)N([O-])Cc1ccccc1Cl ZINC000904191478 1031836296 /nfs/dbraw/zinc/83/62/96/1031836296.db2.gz ZOGAELOGNAZOCH-INIZCTEOSA-N -1 3 331.799 3.876 20 30 EHEDHM CC(C)CCN(CCC#N)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000598690773 1033404997 /nfs/dbraw/zinc/40/49/97/1033404997.db2.gz PGTUIMYKALVCQM-UHFFFAOYSA-N -1 3 328.334 3.813 20 30 EHEDHM O=C1[C@H](/N=C\c2cc(Cl)ccc2[O-])CCCN1c1ccccc1F ZINC000761181739 1034266249 /nfs/dbraw/zinc/26/62/49/1034266249.db2.gz QBIJJUKBAQVVNM-ZGFXFUDXSA-N -1 3 346.789 3.799 20 30 EHEDHM C[C@@]1(C#N)CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000612365779 1034845501 /nfs/dbraw/zinc/84/55/01/1034845501.db2.gz ZHHLWRRZJYRWBN-NRFANRHFSA-N -1 3 334.419 3.749 20 30 EHEDHM C[C@@]1(C#N)CCCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000612367079 1034847065 /nfs/dbraw/zinc/84/70/65/1034847065.db2.gz AVNHDAQWMZLBPO-QFIPXVFZSA-N -1 3 348.446 3.943 20 30 EHEDHM COc1cc(C(=O)[N-]c2sccc2C#N)sc1Br ZINC000179883355 1034964951 /nfs/dbraw/zinc/96/49/51/1034964951.db2.gz HCFMRGVYZLYTDJ-UHFFFAOYSA-N -1 3 343.227 3.705 20 30 EHEDHM CCc1c(C([O-])=C(C#N)c2ccccn2)cnn1-c1ccccc1C ZINC000187475704 1035829279 /nfs/dbraw/zinc/82/92/79/1035829279.db2.gz CWCARNXTSAQJJW-HNNXBMFYSA-N -1 3 330.391 3.628 20 30 EHEDHM CCN(CC)[C@@H](C/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccsc1 ZINC000032074846 1036099836 /nfs/dbraw/zinc/09/98/36/1036099836.db2.gz LOHCYDAPTCUBMX-HKJBKDEOSA-N -1 3 347.440 3.864 20 30 EHEDHM C[C@H](Oc1cc(O)cc([O-])c1Br)c1ccccc1C#N ZINC001229096565 1037530028 /nfs/dbraw/zinc/53/00/28/1037530028.db2.gz FKGSIAJNMDFVSQ-VIFPVBQESA-N -1 3 334.169 3.872 20 30 EHEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc2n[n-]nc21 ZINC000187835100 1037570473 /nfs/dbraw/zinc/57/04/73/1037570473.db2.gz ZVXDCJZHNNPOFA-LLVKDONJSA-N -1 3 337.408 3.604 20 30 EHEDHM CC(C)(C)OC(=O)Nc1ccc(C([O-])=C(C#N)c2ccccn2)cc1 ZINC000041492976 1038760056 /nfs/dbraw/zinc/76/00/56/1038760056.db2.gz NGPFNRTUXQTJDW-OAHLLOKOSA-N -1 3 337.379 3.919 20 30 EHEDHM CCc1csc([C@@H](C)[N-]C(=O)C(F)(F)c2ccccc2C#N)n1 ZINC000910742545 1039071549 /nfs/dbraw/zinc/07/15/49/1039071549.db2.gz HNWRULTVPUZLRV-SNVBAGLBSA-N -1 3 335.379 3.546 20 30 EHEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000330159904 1040809120 /nfs/dbraw/zinc/80/91/20/1040809120.db2.gz RKEADGUWOIUHBR-HBNTYKKESA-N -1 3 330.354 3.887 20 30 EHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(C(F)F)c3)nc1-2 ZINC000429577604 1041306043 /nfs/dbraw/zinc/30/60/43/1041306043.db2.gz GGYUJSZEYMFSSK-GFCCVEGCSA-N -1 3 326.306 3.694 20 30 EHEDHM N#Cc1cc([N-]C(=O)c2cccc(F)c2F)c(Cl)c([N+](=O)[O-])c1 ZINC000764316185 1127477798 /nfs/dbraw/zinc/47/77/98/1127477798.db2.gz URTLXOBMDJIABA-UHFFFAOYSA-N -1 3 337.669 3.650 20 30 EHEDHM Cc1ncc(CO)c(/C=N/CC2(c3ccc(F)cc3Cl)CC2)c1[O-] ZINC000765499579 1127624225 /nfs/dbraw/zinc/62/42/25/1127624225.db2.gz KIJSPRYPMSXDQR-ODCIPOBUSA-N -1 3 348.805 3.531 20 30 EHEDHM O=C(Cc1cc(F)c(F)cc1F)N([O-])CCCCc1ccccc1 ZINC001649051972 1128025127 /nfs/dbraw/zinc/02/51/27/1128025127.db2.gz NGOFOWYAJWMRQD-UHFFFAOYSA-N -1 3 337.341 3.887 20 30 EHEDHM C[C@@H](OCc1ccc(F)cc1)C(=O)N([O-])CCCCc1ccccc1 ZINC001649051928 1128024998 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Cc1ccc(-c2cc(C(=O)OC[C@@H](C#N)Cc3cccs3)[n-]n2)o1 ZINC000180100524 1123938378 /nfs/dbraw/zinc/93/83/78/1123938378.db2.gz POAWMLFFMUULMH-GFCCVEGCSA-N -1 3 341.392 3.579 20 30 EHEDHM C=CCN(Cc1cccc(C#N)c1)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000182101829 1125157725 /nfs/dbraw/zinc/15/77/25/1125157725.db2.gz WVAYEUCMXNCGQC-UHFFFAOYSA-N -1 3 346.386 3.558 20 30 EHEDHM CC(C)Oc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1 ZINC000682993777 1129257351 /nfs/dbraw/zinc/25/73/51/1129257351.db2.gz AJUSTJLQPDXFEQ-MRXNPFEDSA-N -1 3 331.375 3.907 20 30 EHEDHM CCOc1cc(C=NNc2ccnc3ccccc32)cc(Cl)c1[O-] ZINC000730147285 1130679331 /nfs/dbraw/zinc/67/93/31/1130679331.db2.gz AOCUGUUWISMTHD-UHFFFAOYSA-N -1 3 341.798 3.860 20 30 EHEDHM C#CCOc1cc(F)ccc1[N-]S(=O)(=O)/C=C\c1ccc(C)cc1 ZINC000741657515 1131632951 /nfs/dbraw/zinc/63/29/51/1131632951.db2.gz CGQCXUGHWHQPKA-BENRWUELSA-N -1 3 345.395 3.559 20 30 EHEDHM CC(C)Cc1nc(C#N)c([N-]N=Cc2c(Cl)nc3sccn23)o1 ZINC000745613794 1132285597 /nfs/dbraw/zinc/28/55/97/1132285597.db2.gz POQIELOIWNLEHF-UHFFFAOYSA-N -1 3 348.819 3.553 20 30 EHEDHM [O-]c1ccc(Cl)cc1/C=N\[C@H]1CCOC2(CCSCC2)C1 ZINC000771097536 1133509617 /nfs/dbraw/zinc/50/96/17/1133509617.db2.gz JHRUPBLJVVGRTQ-DZBQEORWSA-N -1 3 325.861 3.909 20 30 EHEDHM Cc1nc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)sc1C ZINC000774056792 1133596586 /nfs/dbraw/zinc/59/65/86/1133596586.db2.gz YVQKOAXLMOEACO-HNNXBMFYSA-N -1 3 349.415 3.874 20 30 EHEDHM O=C(c1ccc(-c2ccccn2)nc1)N([O-])Cc1ccccc1Cl ZINC001184283853 1133923535 /nfs/dbraw/zinc/92/35/35/1133923535.db2.gz SRMDHLWVXYPKFV-UHFFFAOYSA-N -1 3 339.782 3.829 20 30 EHEDHM C[C@H](Sc1ccccn1)C(=O)N([O-])CCCCc1ccccc1 ZINC001184293090 1133925676 /nfs/dbraw/zinc/92/56/76/1133925676.db2.gz DTYLEHFGHFNKDC-HNNXBMFYSA-N -1 3 330.453 3.803 20 30 EHEDHM O=C(c1cc2c(cn1)OCCC2)N([O-])Cc1cccc2ccccc21 ZINC001184339484 1133928925 /nfs/dbraw/zinc/92/89/25/1133928925.db2.gz FGGVSHAKWCRCPC-UHFFFAOYSA-N -1 3 334.375 3.591 20 30 EHEDHM Cc1nc(C#N)c([N-]C(=O)Nc2cc(C(F)(F)F)ccc2F)o1 ZINC001185590550 1134111161 /nfs/dbraw/zinc/11/11/61/1134111161.db2.gz TUYABFHCYWZXIG-UHFFFAOYSA-N -1 3 328.225 3.657 20 30 EHEDHM COc1cc(C(=O)Nc2ccc([O-])c(C#N)c2)ccc1C(F)(F)F ZINC001190806988 1134753980 /nfs/dbraw/zinc/75/39/80/1134753980.db2.gz FCAUCYYFFUHJHH-UHFFFAOYSA-N -1 3 336.269 3.544 20 30 EHEDHM C#Cc1ccccc1C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001191116982 1134795932 /nfs/dbraw/zinc/79/59/32/1134795932.db2.gz XMYIIJVAYVGBKT-UHFFFAOYSA-N -1 3 337.375 3.581 20 30 EHEDHM Cc1ccc(-c2ccc(C(=O)N([O-])C(=N)c3ccccc3N)cc2)o1 ZINC001191209205 1134816111 /nfs/dbraw/zinc/81/61/11/1134816111.db2.gz ZQXDMZANOPUCGF-UHFFFAOYSA-N -1 3 335.363 3.694 20 30 EHEDHM COc1cc(C=NNCC2(C)CCCC2)cc(Br)c1[O-] ZINC000793083749 1134848047 /nfs/dbraw/zinc/84/80/47/1134848047.db2.gz GIDTVQFZVVPDNY-UHFFFAOYSA-N -1 3 341.249 3.667 20 30 EHEDHM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(C(C)(C)c2ccccc2)cc1 ZINC001193149736 1135109492 /nfs/dbraw/zinc/10/94/92/1135109492.db2.gz RUMVOKHQAYUIPQ-AWEZNQCLSA-N -1 3 328.437 3.666 20 30 EHEDHM CCCCCCCCOC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001194745412 1135308742 /nfs/dbraw/zinc/30/87/42/1135308742.db2.gz PQWJMNDJOUANRF-UHFFFAOYSA-N -1 3 333.388 3.950 20 30 EHEDHM N#Cc1ccc2ccccc2c1[N-]C(=S)NC(=O)c1ccccc1 ZINC001195410063 1135419872 /nfs/dbraw/zinc/41/98/72/1135419872.db2.gz IMUILAVLKSISPZ-UHFFFAOYSA-N -1 3 331.400 3.838 20 30 EHEDHM CCOC(=O)[C@@H](CCOC(C)(C)C)/N=C\c1cc(Cl)ccc1[O-] ZINC000776259050 1136108366 /nfs/dbraw/zinc/10/83/66/1136108366.db2.gz YWPHYVMPWRACLJ-AXLWCPOOSA-N -1 3 341.835 3.601 20 30 EHEDHM CCOc1cc(C=NN[C@@H](C)COc2ccccc2)cc(Cl)c1[O-] ZINC000811668542 1136120008 /nfs/dbraw/zinc/12/00/08/1136120008.db2.gz PKOWUVCDDIMYMB-ZDUSSCGKSA-N -1 3 348.830 3.835 20 30 EHEDHM C[C@@H]1C(N=Nc2ccc(C(=O)[O-])cc2)CCCN1Cc1ccccc1 ZINC000814681100 1136490967 /nfs/dbraw/zinc/49/09/67/1136490967.db2.gz XDKNLEWCTZSYKL-OAHLLOKOSA-N -1 3 337.423 3.837 20 30 EHEDHM Cc1cc(=O)[n-]c(N=NC(CCC(F)(F)F)CCC(F)(F)F)n1 ZINC000853253835 1136522260 /nfs/dbraw/zinc/52/22/60/1136522260.db2.gz GDSAUVWXNMQLHC-UHFFFAOYSA-N -1 3 344.259 3.944 20 30 EHEDHM Cc1ccc2snc(C([O-])=C(C#N)C(=O)Nc3ccccc3)c2c1 ZINC000815907691 1136646753 /nfs/dbraw/zinc/64/67/53/1136646753.db2.gz HXALQEROXIYICC-CQSZACIVSA-N -1 3 335.388 3.566 20 30 EHEDHM C[C@@](O)(C/N=C/c1cc(Cl)ccc1[O-])c1ccc(F)cc1F ZINC000114217683 1136784151 /nfs/dbraw/zinc/78/41/51/1136784151.db2.gz LWLHYUKBIQEZOP-YSNFCQRUSA-N -1 3 325.742 3.650 20 30 EHEDHM O=C(CCCc1ccccc1)NCC/N=C/c1cc(Cl)ccc1[O-] ZINC000818991687 1136897995 /nfs/dbraw/zinc/89/79/95/1136897995.db2.gz IBIWHRGLSYIBTG-KGENOOAVSA-N -1 3 344.842 3.604 20 30 EHEDHM COc1cccc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c1[O-] ZINC001136730691 1137102904 /nfs/dbraw/zinc/10/29/04/1137102904.db2.gz YLXGONKFCKHFLT-GFCCVEGCSA-N -1 3 342.420 3.905 20 30 EHEDHM CC(=NNc1c(C)cc(C)cc1C)c1ccc(-c2nnn[n-]2)s1 ZINC000823953819 1137119110 /nfs/dbraw/zinc/11/91/10/1137119110.db2.gz RINNKAOEQWNKFM-UHFFFAOYSA-N -1 3 326.429 3.690 20 30 EHEDHM C=C(C)CO[N-]C(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000844513319 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Cc1nnsc1C(=O)[N-]c1sc2c(c1C#N)C[C@H](C)C[C@@H]2C ZINC000331809939 1137921543 /nfs/dbraw/zinc/92/15/43/1137921543.db2.gz XFTOHHDMGLMTDC-SFYZADRCSA-N -1 3 332.454 3.718 20 30 EHEDHM C[C@H](CC(=O)Nc1nnc(C(F)(F)F)[n-]1)Cc1cccc(F)c1 ZINC000073028412 1138110298 /nfs/dbraw/zinc/11/02/98/1138110298.db2.gz XHQHCOBVLYBINX-QMMMGPOBSA-N -1 3 330.285 3.820 20 30 EHEDHM C[C@H](CC(=O)Nc1nc(C(F)(F)F)n[n-]1)Cc1cccc(F)c1 ZINC000073028412 1138110299 /nfs/dbraw/zinc/11/02/99/1138110299.db2.gz XHQHCOBVLYBINX-QMMMGPOBSA-N -1 3 330.285 3.820 20 30 EHEDHM Cc1ncc(CO)c(/C=N\CCCCCc2ccc(F)cc2)c1[O-] ZINC000777402714 1140079963 /nfs/dbraw/zinc/07/99/63/1140079963.db2.gz MZIOWCYAJOQUHK-MTJSOVHGSA-N -1 3 330.403 3.559 20 30 EHEDHM Cc1ccc(F)c(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1 ZINC000822239742 599113776 /nfs/dbraw/zinc/11/37/76/599113776.db2.gz CAUQULZOBQTNGP-JLHYYAGUSA-N -1 3 334.354 3.527 20 30 EHEDHM Cc1ccc(F)c(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1 ZINC000822239742 599113779 /nfs/dbraw/zinc/11/37/79/599113779.db2.gz CAUQULZOBQTNGP-JLHYYAGUSA-N -1 3 334.354 3.527 20 30 EHEDHM CCCCCC[C@@H](C)CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736444641 599197304 /nfs/dbraw/zinc/19/73/04/599197304.db2.gz IAPAXTOUNBXMSE-CYBMUJFWSA-N -1 3 340.431 3.673 20 30 EHEDHM CCCCCC[C@@H](C)CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736444641 599197306 /nfs/dbraw/zinc/19/73/06/599197306.db2.gz IAPAXTOUNBXMSE-CYBMUJFWSA-N -1 3 340.431 3.673 20 30 EHEDHM N#Cc1ccc([C@H](N[C@@H]2CCc3cc(Cl)ccc32)C(=O)[O-])cc1 ZINC000739105387 600596003 /nfs/dbraw/zinc/59/60/03/600596003.db2.gz GPLVFOVVNMDVIX-SJORKVTESA-N -1 3 326.783 3.614 20 30 EHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)c(Cl)c1 ZINC000822923072 607458966 /nfs/dbraw/zinc/45/89/66/607458966.db2.gz NPNMRJNYGYDFBN-GQCTYLIASA-N -1 3 346.724 3.694 20 30 EHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(F)c(Cl)c1 ZINC000822923072 607458967 /nfs/dbraw/zinc/45/89/67/607458967.db2.gz NPNMRJNYGYDFBN-GQCTYLIASA-N -1 3 346.724 3.694 20 30 EHEDHM COc1ccc(C=C2C[C@@H](C)c3ccccc3C2=O)cc1-c1nnn[n-]1 ZINC000826190918 607681113 /nfs/dbraw/zinc/68/11/13/607681113.db2.gz QVKVEHBRONDXEK-HLVNSREUSA-N -1 3 346.390 3.649 20 30 EHEDHM COc1ccc(C=C2C[C@@H](C)c3ccccc3C2=O)cc1-c1nn[n-]n1 ZINC000826190918 607681115 /nfs/dbraw/zinc/68/11/15/607681115.db2.gz QVKVEHBRONDXEK-HLVNSREUSA-N -1 3 346.390 3.649 20 30 EHEDHM CC[C@@H](c1ccccc1)N(CC(=O)[O-])Cc1cc(C#N)ccc1F ZINC000829027513 604650516 /nfs/dbraw/zinc/65/05/16/604650516.db2.gz ODMVHYAAFIBJNZ-SFHVURJKSA-N -1 3 326.371 3.735 20 30 EHEDHM CCC[C@H](C)CN=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825233790 607888537 /nfs/dbraw/zinc/88/85/37/607888537.db2.gz RORNDTJTBPQEPT-VIFPVBQESA-N -1 3 326.326 3.719 20 30 EHEDHM CCC[C@H](C)CN=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825233790 607888538 /nfs/dbraw/zinc/88/85/38/607888538.db2.gz RORNDTJTBPQEPT-VIFPVBQESA-N -1 3 326.326 3.719 20 30 EHEDHM O=C1c2cccc3c2[C@H](CCC3)C1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826475833 608109654 /nfs/dbraw/zinc/10/96/54/608109654.db2.gz SKJUCSQPTPECHT-QJISPJEISA-N -1 3 328.375 3.567 20 30 EHEDHM O=C1c2cccc3c2[C@H](CCC3)C1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826475833 608109655 /nfs/dbraw/zinc/10/96/55/608109655.db2.gz SKJUCSQPTPECHT-QJISPJEISA-N -1 3 328.375 3.567 20 30 EHEDHM CCC[C@@H](C=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000825234164 608750557 /nfs/dbraw/zinc/75/05/57/608750557.db2.gz WMVZABMJTGSNAJ-SFHVURJKSA-N -1 3 334.427 3.526 20 30 EHEDHM CCC[C@@H](C=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000825234164 608750560 /nfs/dbraw/zinc/75/05/60/608750560.db2.gz WMVZABMJTGSNAJ-SFHVURJKSA-N -1 3 334.427 3.526 20 30 EHEDHM Clc1ccc2cccnc2c1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826352854 609276628 /nfs/dbraw/zinc/27/66/28/609276628.db2.gz QMCQRPXEBLRHFD-UHFFFAOYSA-N -1 3 349.785 3.514 20 30 EHEDHM O=C1c2c3ccccc3[nH]c2CCC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000826476025 609369660 /nfs/dbraw/zinc/36/96/60/609369660.db2.gz ZDPDZAKJJAHVER-JLHYYAGUSA-N -1 3 341.374 3.561 20 30 EHEDHM O=C1c2c3ccccc3[nH]c2CCC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000826476025 609369662 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C[C@H](CC#N)Sc1ccccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000274750469 1014816101 /nfs/dbraw/zinc/81/61/01/1014816101.db2.gz AQFWQDNJZHGABQ-IUODEOHRSA-N -1 3 335.429 3.661 20 30 EHEDHM CCSc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC001597273470 987328800 /nfs/dbraw/zinc/32/88/00/987328800.db2.gz WKPWMNGFOVHYII-QGZVFWFLSA-N -1 3 326.421 3.586 20 30 EHEDHM CCc1[nH]c(CN(Cc2ccc(C#N)cc2)CC(C)C)cc1C(=O)[O-] ZINC001597384558 987589182 /nfs/dbraw/zinc/58/91/82/987589182.db2.gz MGOJTJIAHGKRCP-UHFFFAOYSA-N -1 3 339.439 3.805 20 30 EHEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000254993879 1015390777 /nfs/dbraw/zinc/39/07/77/1015390777.db2.gz PXWIHPCIJVUHIJ-AVLIXPRSSA-N -1 3 328.170 3.991 20 30 EHEDHM CN(Cc1ccc(F)c(Cl)c1)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001598517429 992634002 /nfs/dbraw/zinc/63/40/02/992634002.db2.gz JATQPZMGMALJKW-INIZCTEOSA-N -1 3 332.762 3.608 20 30 EHEDHM CC(C)(C)OC(=O)NCc1ccc(/N=C/c2cccc([O-])c2O)cc1 ZINC000275312806 1016364594 /nfs/dbraw/zinc/36/45/94/1016364594.db2.gz RRRGIIHWMYUQOU-UDWIEESQSA-N -1 3 342.395 3.873 20 30 EHEDHM N#Cc1cc(-c2ccccc2)sc1[N-]C(=O)c1ncncc1Cl ZINC000178611547 1016739978 /nfs/dbraw/zinc/73/99/78/1016739978.db2.gz MOBMKTWCESUSNW-UHFFFAOYSA-N -1 3 340.795 3.982 20 30 EHEDHM Cc1cccc2nc(C(C#N)=C([O-])c3cc([N+](=O)[O-])ccc3C)[nH]c21 ZINC000345365362 1020189093 /nfs/dbraw/zinc/18/90/93/1020189093.db2.gz AMVXXNMBCFJWGW-AWEZNQCLSA-N -1 3 334.335 3.578 20 30 EHEDHM C/C=C/c1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000345668240 1020417787 /nfs/dbraw/zinc/41/77/87/1020417787.db2.gz DNZLEEDXTTVGDF-SNAWJCMRSA-N -1 3 335.407 3.880 20 30 EHEDHM CC1(C)CC(N=Nc2ccccc2C(=O)[O-])CN1Cc1ccccc1 ZINC000761255858 1032899424 /nfs/dbraw/zinc/89/94/24/1032899424.db2.gz SGXNCXQJVVWNKD-UHFFFAOYSA-N -1 3 337.423 3.837 20 30 EHEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc3nccnc3c2)s1 ZINC000430598085 1020882578 /nfs/dbraw/zinc/88/25/78/1020882578.db2.gz NQNHSQPQDFROCU-LBPRGKRZSA-N -1 3 336.420 3.874 20 30 EHEDHM Cc1c(F)c(N=Cc2ccc(O)c([O-])c2O)ccc1Br ZINC000588610464 1032952411 /nfs/dbraw/zinc/95/24/11/1032952411.db2.gz NKQRWVVJYUWYKI-UHFFFAOYSA-N -1 3 340.148 3.764 20 30 EHEDHM COc1cc(C(=O)/C=C/c2cc([N+](=O)[O-])ccc2Cl)ccc1[O-] ZINC000028913250 1022074518 /nfs/dbraw/zinc/07/45/18/1022074518.db2.gz ATHJLDHCYAZUEG-QHHAFSJGSA-N -1 3 333.727 3.859 20 30 EHEDHM CC[C@@H](CC(F)(F)F)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000330852967 1022698342 /nfs/dbraw/zinc/69/83/42/1022698342.db2.gz GITIRTMTODPVRM-VIFPVBQESA-N -1 3 333.354 3.824 20 30 EHEDHM CCc1cccc(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1[O-] ZINC000535785274 1023633115 /nfs/dbraw/zinc/63/31/15/1023633115.db2.gz MCFZTCDMMRNHSR-UHFFFAOYSA-N -1 3 332.403 3.756 20 30 EHEDHM N#Cc1cccc(OCCCCC(=O)Nc2cccc([O-])c2F)c1 ZINC000129565183 1023985432 /nfs/dbraw/zinc/98/54/32/1023985432.db2.gz JMHANQGCEZEERY-UHFFFAOYSA-N -1 3 328.343 3.591 20 30 EHEDHM Cc1ccn(C)c1C([O-])=C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000190684621 1024324442 /nfs/dbraw/zinc/32/44/42/1024324442.db2.gz XIJHJCLSNOYLLM-HNNXBMFYSA-N -1 3 346.415 3.819 20 30 EHEDHM C=CCOc1cccc(CN[C@@H](CC(=O)[O-])c2cccc(OC)c2)c1 ZINC000277267289 1024384831 /nfs/dbraw/zinc/38/48/31/1024384831.db2.gz LEHBHBUDYWFXLD-IBGZPJMESA-N -1 3 341.407 3.566 20 30 EHEDHM CN(C)c1cc(C#N)cc(C([O-])=C(C#N)c2nccc3ccccc32)c1 ZINC000346233639 1024548681 /nfs/dbraw/zinc/54/86/81/1024548681.db2.gz BUEYEQHNNITRHR-IBGZPJMESA-N -1 3 340.386 3.663 20 30 EHEDHM COCc1nc(C([O-])=C(C#N)c2ccccn2)c(-c2ccccc2)s1 ZINC000442088104 1025170994 /nfs/dbraw/zinc/17/09/94/1025170994.db2.gz KUQRCXBPRMDRPK-CQSZACIVSA-N -1 3 349.415 3.842 20 30 EHEDHM CC(C)CCN(CCC#N)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000444219459 1025931243 /nfs/dbraw/zinc/93/12/43/1025931243.db2.gz BCKNUJXEISTJSS-UHFFFAOYSA-N -1 3 338.411 3.843 20 30 EHEDHM C=CCN(Cc1ccccc1F)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000436612413 1025946993 /nfs/dbraw/zinc/94/69/93/1025946993.db2.gz XTDGQGRLTGYFQR-UHFFFAOYSA-N -1 3 327.355 3.562 20 30 EHEDHM CCc1ccc([O-])c(C(=O)Nc2nc(C)c(SCC#N)s2)c1 ZINC000522140574 1026018282 /nfs/dbraw/zinc/01/82/82/1026018282.db2.gz CLTCZPSSHBFORC-UHFFFAOYSA-N -1 3 333.438 3.588 20 30 EHEDHM COCc1nocc1C(=O)[N-]c1sc2c(c1C#N)[C@H](C)[C@H](C)CC2 ZINC000425611516 1026059586 /nfs/dbraw/zinc/05/95/86/1026059586.db2.gz SRLSQNIJGVDRKG-NXEZZACHSA-N -1 3 345.424 3.692 20 30 EHEDHM C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531628648 1027108206 /nfs/dbraw/zinc/10/82/06/1027108206.db2.gz VAXGGQQGPQJNLG-NSHDSACASA-N -1 3 342.380 3.636 20 30 EHEDHM CS(=O)(=O)c1cc(N=Cc2cc(Cl)ccc2[O-])ccc1Cl ZINC000588564473 1028551970 /nfs/dbraw/zinc/55/19/70/1028551970.db2.gz WRQGKFAXWIQDRA-UHFFFAOYSA-N -1 3 344.219 3.853 20 30 EHEDHM C=C(C)[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000583549777 1030107963 /nfs/dbraw/zinc/10/79/63/1030107963.db2.gz AFHIPFYIEPQBPR-FZMZJTMJSA-N -1 3 329.318 3.721 20 30 EHEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)cnn1-c1cc(C)ccc1C ZINC000121944902 1030416363 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C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc([O-])ccc1Cl ZINC000431789214 1035488824 /nfs/dbraw/zinc/48/88/24/1035488824.db2.gz ADOONSCCGWPINZ-UHFFFAOYSA-N -1 3 331.799 3.883 20 30 EHEDHM CC(=O)N(C)c1cccc(N=Cc2cc(Br)ccc2[O-])c1 ZINC000255893778 1036204883 /nfs/dbraw/zinc/20/48/83/1036204883.db2.gz PERNCOOFXCHJNM-UHFFFAOYSA-N -1 3 347.212 3.888 20 30 EHEDHM CCCCCc1cc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)n[nH]1 ZINC000659101292 1037178079 /nfs/dbraw/zinc/17/80/79/1037178079.db2.gz OGZQORQKNMBALN-AWEZNQCLSA-N -1 3 335.411 3.817 20 30 EHEDHM Cc1ccc(-n2nc(C([O-])=C(C#N)c3ccccn3)c3c2CCC3)cc1 ZINC000041481107 1038098182 /nfs/dbraw/zinc/09/81/82/1038098182.db2.gz FXHFCKWEUCGMJU-KRWDZBQOSA-N -1 3 342.402 3.555 20 30 EHEDHM CCc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1C ZINC000538798764 1038536643 /nfs/dbraw/zinc/53/66/43/1038536643.db2.gz WSVMCMFXXWNTFG-UHFFFAOYSA-N -1 3 337.423 3.718 20 30 EHEDHM Cc1ncc(CO)c(/C=N/c2ccc(OC3CCCC3)cc2)c1[O-] ZINC000028185599 1038924854 /nfs/dbraw/zinc/92/48/54/1038924854.db2.gz FAYIAQMZNITCGX-SRZZPIQSSA-N -1 3 326.396 3.660 20 30 EHEDHM COc1cc(/C=C/C(=O)c2ccnn2C2CCC2)cc(Cl)c1[O-] ZINC000899397907 1040445687 /nfs/dbraw/zinc/44/56/87/1040445687.db2.gz SMAJWERMJUHDQL-AATRIKPKSA-N -1 3 332.787 3.872 20 30 EHEDHM C=CCCO[N-]C(=O)CCSc1ccc(Br)cc1 ZINC000856030736 1040755965 /nfs/dbraw/zinc/75/59/65/1040755965.db2.gz OYDHOLCEQJEUDR-UHFFFAOYSA-N -1 3 330.247 3.555 20 30 EHEDHM C=CCN(Cc1ccccc1F)C(=O)NCc1ccc([O-])c(F)c1 ZINC000172626397 1126802591 /nfs/dbraw/zinc/80/25/91/1126802591.db2.gz HOUVHKSCQIFSSE-UHFFFAOYSA-N -1 3 332.350 3.568 20 30 EHEDHM C=CCN(CC(F)(F)F)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000623017574 1126856053 /nfs/dbraw/zinc/85/60/53/1126856053.db2.gz AGDDHKKXSAWHAI-UHFFFAOYSA-N -1 3 327.224 3.602 20 30 EHEDHM CCCCCCN([O-])C(=O)CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001649057330 1128057169 /nfs/dbraw/zinc/05/71/69/1128057169.db2.gz WHKCQEXDNUDFTL-UHFFFAOYSA-N -1 3 328.453 3.574 20 30 EHEDHM O=C(c1cc(C(F)(F)F)cc(Cl)n1)N([O-])Cc1ccc(F)cc1 ZINC001649069943 1128134875 /nfs/dbraw/zinc/13/48/75/1128134875.db2.gz NCUIDWTYPSYNMQ-UHFFFAOYSA-N -1 3 348.683 3.925 20 30 EHEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(C)oc2C)cc1Cl ZINC000130289079 1120635750 /nfs/dbraw/zinc/63/57/50/1120635750.db2.gz ZFNBQQWGSAVRFP-ZDUSSCGKSA-N -1 3 346.770 3.520 20 30 EHEDHM CNC(=O)Oc1cccc(N=Cc2cc(Br)ccc2[O-])c1 ZINC000495905397 1121564400 /nfs/dbraw/zinc/56/44/00/1121564400.db2.gz MUOTXFSDFIBSSC-UHFFFAOYSA-N -1 3 349.184 3.624 20 30 EHEDHM CC(=NNC(=S)NCc1ccccc1)c1ccc2ccccc2c1[O-] ZINC000915924496 1121985810 /nfs/dbraw/zinc/98/58/10/1121985810.db2.gz NBAPVVFSDRHXOR-UHFFFAOYSA-N -1 3 349.459 3.934 20 30 EHEDHM [O-]c1ccc(CN=Nc2ncnc3sccc32)cc1Br ZINC000916368247 1122137182 /nfs/dbraw/zinc/13/71/82/1122137182.db2.gz KOVCTYTYYGIKLM-UHFFFAOYSA-N -1 3 349.213 3.605 20 30 EHEDHM Cc1ccc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)o1 ZINC000916368395 1122137446 /nfs/dbraw/zinc/13/74/46/1122137446.db2.gz DLHJEOMWKWOFHP-UHFFFAOYSA-N -1 3 330.438 3.643 20 30 EHEDHM N#Cc1cc2c(nc1[N-]C(=O)c1ocnc1-c1ccccc1)CCCC2 ZINC001127579172 1123922964 /nfs/dbraw/zinc/92/29/64/1123922964.db2.gz KAIMGQGXOSDTNG-UHFFFAOYSA-N -1 3 344.374 3.739 20 30 EHEDHM N#Cc1ccc(CSCC(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000067138908 1129248378 /nfs/dbraw/zinc/24/83/78/1129248378.db2.gz JWPOBYGLKWIWFM-UHFFFAOYSA-N -1 3 332.812 3.789 20 30 EHEDHM CC(C)Oc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1 ZINC000682993776 1129257289 /nfs/dbraw/zinc/25/72/89/1129257289.db2.gz AJUSTJLQPDXFEQ-INIZCTEOSA-N -1 3 331.375 3.907 20 30 EHEDHM C=CCn1c(=O)[n-]nc1SCCCc1ccc(C(F)(F)F)cc1 ZINC000675296097 1130303385 /nfs/dbraw/zinc/30/33/85/1130303385.db2.gz QXCOJVYFJMRBST-UHFFFAOYSA-N -1 3 343.374 3.913 20 30 EHEDHM COCCOc1ccc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)cc1 ZINC000730464341 1130713152 /nfs/dbraw/zinc/71/31/52/1130713152.db2.gz PMWPTUBJGUFBCU-PKVLTRFUSA-N -1 3 342.366 3.940 20 30 EHEDHM CCC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc(Cl)s1 ZINC000733203742 1131004505 /nfs/dbraw/zinc/00/45/05/1131004505.db2.gz YKAJSJBQUHZARM-UHFFFAOYSA-N -1 3 342.873 3.635 20 30 EHEDHM CCOc1cc(CN=Nc2cc(Cl)nc(C)n2)cc(Cl)c1[O-] ZINC000741764204 1131642612 /nfs/dbraw/zinc/64/26/12/1131642612.db2.gz WVQJBBNEJQOKSG-UHFFFAOYSA-N -1 3 341.198 3.642 20 30 EHEDHM CCC(CC)(C/N=C/c1c([O-])c(C)ncc1CO)c1ccccc1 ZINC000743044210 1131842141 /nfs/dbraw/zinc/84/21/41/1131842141.db2.gz GYBZNEZZNVLFHP-CIAFOILYSA-N -1 3 326.440 3.765 20 30 EHEDHM CSC=CC([O-])=C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000771578872 1133573461 /nfs/dbraw/zinc/57/34/61/1133573461.db2.gz POPKXMRTUNZOAK-VUDBWIFFSA-N -1 3 329.208 3.517 20 30 EHEDHM [O-]/N=C/c1cccc(NC[C@H](O)c2c(Cl)cccc2Cl)c1 ZINC001170032685 1133593690 /nfs/dbraw/zinc/59/36/90/1133593690.db2.gz LCULYLTWHAYQHC-YUYIWDJPSA-N -1 3 325.195 3.947 20 30 EHEDHM CC(=O)c1ccc(OCCCC(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC001184348156 1133930326 /nfs/dbraw/zinc/93/03/26/1133930326.db2.gz LUCPHQJHVTZTKW-UHFFFAOYSA-N -1 3 345.370 3.605 20 30 EHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)[C@H]2CCC[C@@H](C)C2)c(C)c1[O-] ZINC001184508451 1133954224 /nfs/dbraw/zinc/95/42/24/1133954224.db2.gz HVTSCBSPYMWMDI-YPMHNXCESA-N -1 3 344.411 3.514 20 30 EHEDHM N#Cc1cc(F)ccc1COC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787845955 1134046652 /nfs/dbraw/zinc/04/66/52/1134046652.db2.gz RXIWKLQSKSWXKO-UHFFFAOYSA-N -1 3 331.318 3.608 20 30 EHEDHM Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc([O-])c(C#N)c1 ZINC001186272818 1134191480 /nfs/dbraw/zinc/19/14/80/1134191480.db2.gz MXWJRTCSYWMTOU-UHFFFAOYSA-N -1 3 331.375 3.610 20 30 EHEDHM COc1ccc(NC(=O)[N-]c2onc(C(C)(C)C)c2C#N)cc1OC ZINC001188767903 1134506166 /nfs/dbraw/zinc/50/61/66/1134506166.db2.gz YIXYNFLNCGGNNZ-UHFFFAOYSA-N -1 3 344.371 3.505 20 30 EHEDHM Cc1nc(-c2cccc(C(=O)Nc3ccc([O-])c(C#N)c3)c2)cs1 ZINC001188842749 1134516520 /nfs/dbraw/zinc/51/65/20/1134516520.db2.gz FXUMDXZKYACQPW-UHFFFAOYSA-N -1 3 335.388 3.948 20 30 EHEDHM COc1cccc(-c2ccc(C(=O)Nc3ccc([O-])c(C#N)c3)cn2)c1 ZINC001192375627 1135008125 /nfs/dbraw/zinc/00/81/25/1135008125.db2.gz JZVMRFTXNVGTTF-UHFFFAOYSA-N -1 3 345.358 3.587 20 30 EHEDHM N#CCN(Cc1ccccc1)C(=O)c1ccc([O-])cc1C(F)(F)F ZINC001193750809 1135181922 /nfs/dbraw/zinc/18/19/22/1135181922.db2.gz YDFQBPHCKZLVCY-UHFFFAOYSA-N -1 3 334.297 3.577 20 30 EHEDHM N#Cc1cc([O-])cc(C(=O)OCc2ccccc2Oc2cccnc2)c1 ZINC000811188444 1136056827 /nfs/dbraw/zinc/05/68/27/1136056827.db2.gz KRTXINZEMAAAHP-UHFFFAOYSA-N -1 3 346.342 3.808 20 30 EHEDHM CCCCCCCCCCS(=O)(=O)[N-]c1c(C)nn(C)c1C ZINC001201834041 1136068466 /nfs/dbraw/zinc/06/84/66/1136068466.db2.gz JMVIIZRMQNXGKL-UHFFFAOYSA-N -1 3 329.510 3.919 20 30 EHEDHM C[C@@H](/N=C/c1cc(Cl)ccc1[O-])c1ncc(Br)cn1 ZINC000814183071 1136418236 /nfs/dbraw/zinc/41/82/36/1136418236.db2.gz CTBCOTFWCANKSB-GDHHIONMSA-N -1 3 340.608 3.778 20 30 EHEDHM C=CCCO[N-]C(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000856030444 1136750621 /nfs/dbraw/zinc/75/06/21/1136750621.db2.gz ZRTCGSQMZYAMQQ-KGLIPLIRSA-N -1 3 328.437 3.970 20 30 EHEDHM CCc1ccccc1[C@@H](CC(=O)[O-])NCc1ccc(C#N)c(F)c1 ZINC000864527239 1137232643 /nfs/dbraw/zinc/23/26/43/1137232643.db2.gz CBIQPSNRZICRGT-GOSISDBHSA-N -1 3 326.371 3.565 20 30 EHEDHM CC(C)OC(=O)CC[C@@H](C)/N=C\c1cc(Br)ccc1[O-] ZINC000794831471 1137268303 /nfs/dbraw/zinc/26/83/03/1137268303.db2.gz BCCBBTRRTZLVAG-JWHLFPLYSA-N -1 3 342.233 3.694 20 30 EHEDHM Cc1cccc(O[C@@H](C)C(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)c1 ZINC000845836150 1137314521 /nfs/dbraw/zinc/31/45/21/1137314521.db2.gz HIKNSQMJXUDICQ-LPHOPBHVSA-N -1 3 347.414 3.772 20 30 EHEDHM O=C(/C=C/c1c(F)ccc([O-])c1F)c1ccc(N2CCOC2=O)cc1 ZINC000794933973 1137366983 /nfs/dbraw/zinc/36/69/83/1137366983.db2.gz DGBXLLWNWJGCQA-FNORWQNLSA-N -1 3 345.301 3.523 20 30 EHEDHM CCCn1nc(C)c(/C=C/C(=O)c2cc(OC)c([O-])cc2OC)c1C ZINC000122503419 1137444752 /nfs/dbraw/zinc/44/47/52/1137444752.db2.gz ZXHOIZFLWPXHJB-BQYQJAHWSA-N -1 3 344.411 3.529 20 30 EHEDHM C=CCOc1ccccc1[C@@H](C)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001171376226 1137462529 /nfs/dbraw/zinc/46/25/29/1137462529.db2.gz QNQRQMQCCBECFI-GFCCVEGCSA-N -1 3 339.374 3.744 20 30 EHEDHM C=CCOc1ccccc1[C@@H](C)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001171376226 1137462531 /nfs/dbraw/zinc/46/25/31/1137462531.db2.gz QNQRQMQCCBECFI-GFCCVEGCSA-N -1 3 339.374 3.744 20 30 EHEDHM CC(C)(C)OC(=O)C=Cc1cc(C([O-])=C(C#N)c2ccccn2)co1 ZINC000873498016 1137601047 /nfs/dbraw/zinc/60/10/47/1137601047.db2.gz RBIAHALRJUVOBR-ZPIQOJFGSA-N -1 3 338.363 3.520 20 30 EHEDHM CCc1c(C)sc([N-]C(=O)c2c(Cl)nn(C)c2Cl)c1C#N ZINC000875298541 1137631522 /nfs/dbraw/zinc/63/15/22/1137631522.db2.gz YMXQERJSOBKGKH-UHFFFAOYSA-N -1 3 343.239 3.783 20 30 EHEDHM Cc1cccc([C@H](O)C/N=C/c2cc(Br)ccc2[O-])c1 ZINC000128467250 1137780136 /nfs/dbraw/zinc/78/01/36/1137780136.db2.gz GHEFMDGWDAEGAQ-TWIVVOHQSA-N -1 3 334.213 3.616 20 30 EHEDHM N#CC1(CCCOC(=O)c2cc3sccc3c([O-])c2)CCOCC1 ZINC000800219861 1137903092 /nfs/dbraw/zinc/90/30/92/1137903092.db2.gz OWUXDAJTLZQIQD-UHFFFAOYSA-N -1 3 345.420 3.864 20 30 EHEDHM C=C1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CC1 ZINC000264501793 1138538649 /nfs/dbraw/zinc/53/86/49/1138538649.db2.gz VRRMLGMTZPXSPW-UHFFFAOYSA-N -1 3 327.409 3.809 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@H]2CCC[C@@H](C)C2)no1 ZINC000273871528 1141436918 /nfs/dbraw/zinc/43/69/18/1141436918.db2.gz FWSLSRCBFSPFTK-RISCZKNCSA-N -1 3 340.427 3.738 20 30 EHEDHM C=CCCCNc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735412706 598978815 /nfs/dbraw/zinc/97/88/15/598978815.db2.gz JJQIUECMVHTAGG-UHFFFAOYSA-N -1 3 335.411 3.824 20 30 EHEDHM C=CCCCNc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735412706 598978818 /nfs/dbraw/zinc/97/88/18/598978818.db2.gz JJQIUECMVHTAGG-UHFFFAOYSA-N -1 3 335.411 3.824 20 30 EHEDHM Cc1cccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1C ZINC000822299863 599113802 /nfs/dbraw/zinc/11/38/02/599113802.db2.gz XHOLPJZIXOSLLM-YBEGLDIGSA-N -1 3 330.391 3.696 20 30 EHEDHM Cc1cccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1C ZINC000822299863 599113804 /nfs/dbraw/zinc/11/38/04/599113804.db2.gz XHOLPJZIXOSLLM-YBEGLDIGSA-N -1 3 330.391 3.696 20 30 EHEDHM COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1-c1nnn[n-]1 ZINC000737080427 599153357 /nfs/dbraw/zinc/15/33/57/599153357.db2.gz ALZQKHFHPCWAHM-ONNFQVAWSA-N -1 3 348.406 3.895 20 30 EHEDHM COc1ccc(C=CC(=O)c2ccc(C(C)C)cc2)cc1-c1nn[n-]n1 ZINC000737080427 599153358 /nfs/dbraw/zinc/15/33/58/599153358.db2.gz ALZQKHFHPCWAHM-ONNFQVAWSA-N -1 3 348.406 3.895 20 30 EHEDHM O=C(C=Cc1cc2cc(F)ccc2o1)c1cccc(-c2nnn[n-]2)c1 ZINC000737795158 599155822 /nfs/dbraw/zinc/15/58/22/599155822.db2.gz IWRBTZWFDOZWJK-WAYWQWQTSA-N -1 3 334.310 3.648 20 30 EHEDHM O=C(C=Cc1cc2cc(F)ccc2o1)c1cccc(-c2nn[n-]n2)c1 ZINC000737795158 599155825 /nfs/dbraw/zinc/15/58/25/599155825.db2.gz IWRBTZWFDOZWJK-WAYWQWQTSA-N -1 3 334.310 3.648 20 30 EHEDHM CCCCCCCCCC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821050992 599173414 /nfs/dbraw/zinc/17/34/14/599173414.db2.gz WMMOQTBSXZTTNP-UHFFFAOYSA-N -1 3 347.438 3.763 20 30 EHEDHM CCCCCCCCCC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821050992 599173417 /nfs/dbraw/zinc/17/34/17/599173417.db2.gz WMMOQTBSXZTTNP-UHFFFAOYSA-N -1 3 347.438 3.763 20 30 EHEDHM C[C@@H](SCc1ccc(F)cc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000736193781 599325907 /nfs/dbraw/zinc/32/59/07/599325907.db2.gz TULPOEKTQRLMSS-LLVKDONJSA-N -1 3 339.399 3.872 20 30 EHEDHM C[C@@H](SCc1ccc(F)cc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000736193781 599325910 /nfs/dbraw/zinc/32/59/10/599325910.db2.gz TULPOEKTQRLMSS-LLVKDONJSA-N -1 3 339.399 3.872 20 30 EHEDHM CC(C)Oc1cccc([C@@H](C)N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000736494184 600593125 /nfs/dbraw/zinc/59/31/25/600593125.db2.gz IRVKGDSGXPNDGC-AUUYWEPGSA-N -1 3 338.407 3.822 20 30 EHEDHM Cc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc(C)c1F ZINC000822160946 607460317 /nfs/dbraw/zinc/46/03/17/607460317.db2.gz MESUSUIDUZWWJO-WAYWQWQTSA-N -1 3 340.333 3.658 20 30 EHEDHM Cc1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc(C)c1F ZINC000822160946 607460319 /nfs/dbraw/zinc/46/03/19/607460319.db2.gz MESUSUIDUZWWJO-WAYWQWQTSA-N -1 3 340.333 3.658 20 30 EHEDHM C[C@H]1CC(=Cc2ccc(-c3nnn[n-]3)cc2F)C(=O)c2ccccc21 ZINC000824859224 607681538 /nfs/dbraw/zinc/68/15/38/607681538.db2.gz OEKNQQQBVSKOFB-HOXUKUGESA-N -1 3 334.354 3.779 20 30 EHEDHM C[C@H]1CC(=Cc2ccc(-c3nn[n-]n3)cc2F)C(=O)c2ccccc21 ZINC000824859224 607681540 /nfs/dbraw/zinc/68/15/40/607681540.db2.gz OEKNQQQBVSKOFB-HOXUKUGESA-N -1 3 334.354 3.779 20 30 EHEDHM CC(C)Oc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000820155335 606388569 /nfs/dbraw/zinc/38/85/69/606388569.db2.gz OQFOIQKPWGMZLS-VQHVLOKHSA-N -1 3 340.408 3.612 20 30 EHEDHM C=C[C@H](CC(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823882785 607989449 /nfs/dbraw/zinc/98/94/49/607989449.db2.gz DDDHSQDNMQYDGB-LSDHHAIUSA-N -1 3 348.406 3.831 20 30 EHEDHM C=C[C@H](CC(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823882785 607989450 /nfs/dbraw/zinc/98/94/50/607989450.db2.gz DDDHSQDNMQYDGB-LSDHHAIUSA-N -1 3 348.406 3.831 20 30 EHEDHM C=C[C@@H](CC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823883192 607992377 /nfs/dbraw/zinc/99/23/77/607992377.db2.gz KONVBFCPGPNVPS-CABCVRRESA-N -1 3 348.406 3.831 20 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/nfs/dbraw/zinc/22/51/09/948225109.db2.gz SAYZSSCDUMWSCV-CSKARUKUSA-N -1 3 334.354 3.779 20 30 EHEDHM O=C(C=Cc1ccccc1C1CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826402376 948225117 /nfs/dbraw/zinc/22/51/17/948225117.db2.gz SAYZSSCDUMWSCV-CSKARUKUSA-N -1 3 334.354 3.779 20 30 EHEDHM C#CC[C@@H](NCc1ccc(C(=O)[O-])c2cccnc12)c1ccccc1 ZINC001573303190 962671445 /nfs/dbraw/zinc/67/14/45/962671445.db2.gz LGIWSASZDXKJEO-LJQANCHMSA-N -1 3 330.387 3.787 20 30 EHEDHM C=CC[C@@H]1CCCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000656760184 975688098 /nfs/dbraw/zinc/68/80/98/975688098.db2.gz QNWHUFRNFKMLMI-CQSZACIVSA-N -1 3 326.396 3.828 20 30 EHEDHM C#C[C@@H]1CCCN(Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)C1 ZINC001588383308 983379493 /nfs/dbraw/zinc/37/94/93/983379493.db2.gz TUPVOONFXKUSIR-QGZVFWFLSA-N -1 3 349.430 3.809 20 30 EHEDHM C#C[C@H]1CCCN(Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)C1 ZINC001588383307 983379786 /nfs/dbraw/zinc/37/97/86/983379786.db2.gz TUPVOONFXKUSIR-KRWDZBQOSA-N -1 3 349.430 3.809 20 30 EHEDHM 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O=S(=O)(Cc1ccccc1)[N-]N=C1CCC[C@@H]1Cc1ccccc1 ZINC000735614223 1131363518 /nfs/dbraw/zinc/36/35/18/1131363518.db2.gz QVNKCMNLTRBQEA-GOSISDBHSA-N -1 3 342.464 3.505 20 30 EHEDHM CC(C)(C)OC(=O)N1CCC[C@H]1C/N=C/c1cc(Cl)ccc1[O-] ZINC000730733136 1130732148 /nfs/dbraw/zinc/73/21/48/1130732148.db2.gz UWSQVAZCHRLKNQ-FVOVHSBVSA-N -1 3 338.835 3.864 20 30 EHEDHM C[C@@H](/N=C\c1cc(Br)ccc1[O-])C(=O)Nc1ccccc1 ZINC000732528845 1130932185 /nfs/dbraw/zinc/93/21/85/1130932185.db2.gz AUJXFFXVHGMJNS-IPHDDYSGSA-N -1 3 347.212 3.601 20 30 EHEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@@H](O)c1c(F)cccc1Cl ZINC000741165122 1131582331 /nfs/dbraw/zinc/58/23/31/1131582331.db2.gz GSZVEOGCOWBSPF-TZFWNBKVSA-N -1 3 328.170 3.991 20 30 EHEDHM N#CCCC[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccccc1 ZINC001129377901 1133059684 /nfs/dbraw/zinc/05/96/84/1133059684.db2.gz QICICGWLOUALTI-GOSISDBHSA-N -1 3 345.402 3.693 20 30 EHEDHM CC(C)[C@@H]1C[C@H](/N=C\c2cc(Br)ccc2[O-])CCO1 ZINC000771521842 1133569857 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Cc1ncc(CO)c(/C=N\C[C@@H](Cc2ccccc2)C(C)C)c1[O-] ZINC000787142403 1133958948 /nfs/dbraw/zinc/95/89/48/1133958948.db2.gz WETQANVILKFSKC-CTPANLQCSA-N -1 3 326.440 3.522 20 30 EHEDHM Cc1cc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2F)ccc1Cl ZINC001185529953 1134104147 /nfs/dbraw/zinc/10/41/47/1134104147.db2.gz PVYXFSUTRQFCQY-UHFFFAOYSA-N -1 3 342.754 3.599 20 30 EHEDHM C=C(CSc1nnc([N-]c2ccccc2F)s1)C(=O)OCC ZINC000788802877 1134170981 /nfs/dbraw/zinc/17/09/81/1134170981.db2.gz DZBWSEUPGDXALB-UHFFFAOYSA-N -1 3 339.417 3.632 20 30 EHEDHM Cc1ccc(CN2CC[C@@H](/N=C\c3cc(Cl)ccc3[O-])C2=O)cc1 ZINC000790100502 1134370513 /nfs/dbraw/zinc/37/05/13/1134370513.db2.gz VUQKWNXRQCFWOE-BYINCCNUSA-N -1 3 342.826 3.574 20 30 EHEDHM O=[N+]([O-])c1cc(Br)cc(N=Cc2cccc([O-])c2O)c1 ZINC000790576431 1134443357 /nfs/dbraw/zinc/44/33/57/1134443357.db2.gz ZUHPFXBYQFRFNY-UHFFFAOYSA-N -1 3 337.129 3.519 20 30 EHEDHM N#CCCN(Cc1ccccn1)C(=O)c1cc2sccc2c([O-])c1 ZINC000791351110 1134539007 /nfs/dbraw/zinc/53/90/07/1134539007.db2.gz OHNZLUCNOYKGKM-UHFFFAOYSA-N -1 3 337.404 3.558 20 30 EHEDHM C=CCNC(=O)c1ccccc1NC(=O)c1cc([O-])c2ccccc2c1 ZINC000792042594 1134649081 /nfs/dbraw/zinc/64/90/81/1134649081.db2.gz RXBGBPKKXHLQPF-UHFFFAOYSA-N -1 3 346.386 3.714 20 30 EHEDHM CCCc1nnsc1C(=O)[N-]c1c(C#N)cccc1C(F)(F)F ZINC001190166816 1134666214 /nfs/dbraw/zinc/66/62/14/1134666214.db2.gz RKMJQKPGVZQMDW-UHFFFAOYSA-N -1 3 340.330 3.633 20 30 EHEDHM N#Cc1cc(NC(=O)c2cc(OC(F)(F)F)ccc2F)ccc1[O-] ZINC001190671089 1134728733 /nfs/dbraw/zinc/72/87/33/1134728733.db2.gz PVFYSQSWCPGMTC-UHFFFAOYSA-N -1 3 340.232 3.554 20 30 EHEDHM N#Cc1cc(NC(=O)c2cc(-c3cccc(Cl)c3)[nH]n2)ccc1[O-] ZINC001191371660 1134858331 /nfs/dbraw/zinc/85/83/31/1134858331.db2.gz ZVHAZLZOXLVYII-UHFFFAOYSA-N -1 3 338.754 3.560 20 30 EHEDHM N#Cc1cc(NC(=O)c2ccc(Cl)c(C(F)(F)F)n2)ccc1[O-] ZINC001195666304 1135454227 /nfs/dbraw/zinc/45/42/27/1135454227.db2.gz USASGABUGWASFE-UHFFFAOYSA-N -1 3 341.676 3.583 20 30 EHEDHM Cc1ccc(-c2cc(COC(=O)c3cc([O-])cc(C#N)c3)on2)cc1 ZINC000811188182 1136056563 /nfs/dbraw/zinc/05/65/63/1136056563.db2.gz CCTLBRDJIONPLC-UHFFFAOYSA-N -1 3 334.331 3.584 20 30 EHEDHM COCCOCc1ccc(C/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000812444242 1136208544 /nfs/dbraw/zinc/20/85/44/1136208544.db2.gz BASHRKCLGWCSKI-UDWIEESQSA-N -1 3 333.815 3.828 20 30 EHEDHM N#Cc1c(COC(=O)c2cc(Cl)c(Cl)[n-]2)cn2ccccc12 ZINC000818108563 1136860159 /nfs/dbraw/zinc/86/01/59/1136860159.db2.gz DDBSEHBZPFXLTR-UHFFFAOYSA-N -1 3 334.162 3.803 20 30 EHEDHM Cc1sc2ncnc(NN=Cc3c(F)ccc([O-])c3F)c2c1C ZINC000794470671 1137164325 /nfs/dbraw/zinc/16/43/25/1137164325.db2.gz IYNUYONLPUJYOG-UHFFFAOYSA-N -1 3 334.351 3.738 20 30 EHEDHM COC(=O)C[C@H]1CCC(N=Nc2nc3ccccc3[n-]c2=S)[C@H]1C ZINC000863125423 1137170970 /nfs/dbraw/zinc/17/09/70/1137170970.db2.gz VNUBALYCIHJWGV-WDEREUQCSA-N -1 3 344.440 3.669 20 30 EHEDHM CC(C)Oc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1C(N)=O ZINC000794849146 1137297127 /nfs/dbraw/zinc/29/71/27/1137297127.db2.gz VCKDARZMQCFZPB-UHFFFAOYSA-N -1 3 332.787 3.682 20 30 EHEDHM Cc1ccc(OCC(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)cc1C ZINC000845838518 1137314706 /nfs/dbraw/zinc/31/47/06/1137314706.db2.gz WYZXYAXZQMDAJL-IBGZPJMESA-N -1 3 347.414 3.692 20 30 EHEDHM C#Cc1ccc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c(Cl)c1 ZINC000885673853 1138017868 /nfs/dbraw/zinc/01/78/68/1138017868.db2.gz XXHXIAZNIPMZAQ-UHFFFAOYSA-N -1 3 343.814 3.675 20 30 EHEDHM C=CCOc1ccc(C=Cc2ccc(-c3nnn[n-]3)cn2)cc1Cl ZINC000735436908 598439062 /nfs/dbraw/zinc/43/90/62/598439062.db2.gz UAAFGLFXVTZGOL-UTCJRWHESA-N -1 3 339.786 3.650 20 30 EHEDHM C=CCOc1ccc(C=Cc2ccc(-c3nn[n-]n3)cn2)cc1Cl ZINC000735436908 598439063 /nfs/dbraw/zinc/43/90/63/598439063.db2.gz UAAFGLFXVTZGOL-UTCJRWHESA-N -1 3 339.786 3.650 20 30 EHEDHM Cc1[nH]c2ccccc2c1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822010273 607458377 /nfs/dbraw/zinc/45/83/77/607458377.db2.gz VZNNOWKTRHBAKV-CMDGGOBGSA-N -1 3 347.353 3.692 20 30 EHEDHM Cc1[nH]c2ccccc2c1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822010273 607458378 /nfs/dbraw/zinc/45/83/78/607458378.db2.gz VZNNOWKTRHBAKV-CMDGGOBGSA-N -1 3 347.353 3.692 20 30 EHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1Cl ZINC000822924064 607455399 /nfs/dbraw/zinc/45/53/99/607455399.db2.gz WKRAHZMJKAZBBP-FPLPWBNLSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1Cl ZINC000822924064 607455400 /nfs/dbraw/zinc/45/54/00/607455400.db2.gz WKRAHZMJKAZBBP-FPLPWBNLSA-N -1 3 328.734 3.555 20 30 EHEDHM CC(C)(C)Oc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736286198 600595282 /nfs/dbraw/zinc/59/52/82/600595282.db2.gz QQALQRVXVSUKOI-GOSISDBHSA-N -1 3 338.407 3.651 20 30 EHEDHM O=C(C=Cc1cc(Cl)ccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000826399922 607808273 /nfs/dbraw/zinc/80/82/73/607808273.db2.gz KBQSPADAOTVXEA-YVMONPNESA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1cc(Cl)ccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000826399922 607808274 /nfs/dbraw/zinc/80/82/74/607808274.db2.gz KBQSPADAOTVXEA-YVMONPNESA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1coc2ccccc12 ZINC000826399638 607647236 /nfs/dbraw/zinc/64/72/36/607647236.db2.gz BAJKMZNMGHOUSJ-BQYQJAHWSA-N -1 3 334.310 3.648 20 30 EHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1coc2ccccc12 ZINC000826399638 607647237 /nfs/dbraw/zinc/64/72/37/607647237.db2.gz BAJKMZNMGHOUSJ-BQYQJAHWSA-N -1 3 334.310 3.648 20 30 EHEDHM C[C@@H]1CC(=Cc2ccc(-c3nnn[n-]3)cc2F)C(=O)c2ccccc21 ZINC000824859227 607681131 /nfs/dbraw/zinc/68/11/31/607681131.db2.gz OEKNQQQBVSKOFB-ZECSTPGPSA-N -1 3 334.354 3.779 20 30 EHEDHM C[C@@H]1CC(=Cc2ccc(-c3nn[n-]n3)cc2F)C(=O)c2ccccc21 ZINC000824859227 607681133 /nfs/dbraw/zinc/68/11/33/607681133.db2.gz OEKNQQQBVSKOFB-ZECSTPGPSA-N -1 3 334.354 3.779 20 30 EHEDHM CC(=NNc1cccc(Cl)c1F)c1ccc(-c2nnn[n-]2)s1 ZINC000823963256 608094813 /nfs/dbraw/zinc/09/48/13/608094813.db2.gz ZQKBZJOFYFBICT-UHFFFAOYSA-N -1 3 336.783 3.557 20 30 EHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(Cl)c(F)c1 ZINC000826399592 608229573 /nfs/dbraw/zinc/22/95/73/608229573.db2.gz AAUMSFSPUNERHO-GORDUTHDSA-N -1 3 334.763 3.617 20 30 EHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1coc2ccccc12 ZINC000826401021 608881290 /nfs/dbraw/zinc/88/12/90/608881290.db2.gz NFMCQPAJHXZPAE-VURMDHGXSA-N -1 3 334.310 3.648 20 30 EHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1coc2ccccc12 ZINC000826401021 608881294 /nfs/dbraw/zinc/88/12/94/608881294.db2.gz NFMCQPAJHXZPAE-VURMDHGXSA-N -1 3 334.310 3.648 20 30 EHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(F)cc1C ZINC000823958084 609472642 /nfs/dbraw/zinc/47/26/42/609472642.db2.gz BFXKHXJFCDBIIY-UHFFFAOYSA-N -1 3 344.781 3.804 20 30 EHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(F)cc1C ZINC000823958084 609472644 /nfs/dbraw/zinc/47/26/44/609472644.db2.gz BFXKHXJFCDBIIY-UHFFFAOYSA-N -1 3 344.781 3.804 20 30 EHEDHM CSc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1F ZINC000821979537 945912844 /nfs/dbraw/zinc/91/28/44/945912844.db2.gz SZANVUOXEWQDJR-ARJAWSKDSA-N -1 3 346.412 3.685 20 30 EHEDHM CSc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1F ZINC000821979537 945912848 /nfs/dbraw/zinc/91/28/48/945912848.db2.gz SZANVUOXEWQDJR-ARJAWSKDSA-N -1 3 346.412 3.685 20 30 EHEDHM C=C(C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)C[C@H](C)C[C@@H]2C ZINC001573294119 946977975 /nfs/dbraw/zinc/97/79/75/946977975.db2.gz UVFBYSOZAISNGZ-MNOVXSKESA-N -1 3 345.472 3.909 20 30 EHEDHM C=C(C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)C[C@H](C)C[C@@H]2C ZINC001573294119 946977982 /nfs/dbraw/zinc/97/79/82/946977982.db2.gz UVFBYSOZAISNGZ-MNOVXSKESA-N -1 3 345.472 3.909 20 30 EHEDHM C=CC[C@@H](CC)Nc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC001573319953 947339027 /nfs/dbraw/zinc/33/90/27/947339027.db2.gz SWKVYFSFDCALEB-CYBMUJFWSA-N -1 3 347.426 3.743 20 30 EHEDHM C=CC[C@@H](CC)Nc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC001573319953 947339039 /nfs/dbraw/zinc/33/90/39/947339039.db2.gz SWKVYFSFDCALEB-CYBMUJFWSA-N -1 3 347.426 3.743 20 30 EHEDHM O=C(C=Cc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400126 948214566 /nfs/dbraw/zinc/21/45/66/948214566.db2.gz QDXAHGKLKGQYJZ-FPYGCLRLSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400126 948214572 /nfs/dbraw/zinc/21/45/72/948214572.db2.gz QDXAHGKLKGQYJZ-FPYGCLRLSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1ccc(F)cc1Cl)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826401042 948220543 /nfs/dbraw/zinc/22/05/43/948220543.db2.gz NTFGUCJQOUEYKF-UTCJRWHESA-N -1 3 346.724 3.694 20 30 EHEDHM O=C(C=Cc1ccc(F)cc1Cl)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826401042 948220552 /nfs/dbraw/zinc/22/05/52/948220552.db2.gz NTFGUCJQOUEYKF-UTCJRWHESA-N -1 3 346.724 3.694 20 30 EHEDHM O=C(C=Cc1coc2ccccc12)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826403543 948228836 /nfs/dbraw/zinc/22/88/36/948228836.db2.gz VEJFMJIBYZYMSX-VURMDHGXSA-N -1 3 334.310 3.648 20 30 EHEDHM O=C(C=Cc1coc2ccccc12)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826403543 948228843 /nfs/dbraw/zinc/22/88/43/948228843.db2.gz VEJFMJIBYZYMSX-VURMDHGXSA-N -1 3 334.310 3.648 20 30 EHEDHM N#Cc1ccc(C2CCN(Cc3cc(C(=O)[O-])ccc3F)CC2)cc1 ZINC001231461153 960613988 /nfs/dbraw/zinc/61/39/88/960613988.db2.gz USPZHTIAQSQXPL-UHFFFAOYSA-N -1 3 338.382 3.775 20 30 EHEDHM C[C@@](Cc1ccc(F)cc1)(NCc1ccc(Cl)cc1C#N)C(=O)[O-] ZINC001592854108 979648909 /nfs/dbraw/zinc/64/89/09/979648909.db2.gz LTKFNKBRNJNWMQ-SFHVURJKSA-N -1 3 346.789 3.526 20 30 EHEDHM C#CC[C@H](NCc1c(Cl)cccc1Oc1ccccc1)C(=O)[O-] ZINC001588423151 983450706 /nfs/dbraw/zinc/45/07/06/983450706.db2.gz YCCBEVFVPNQVAX-INIZCTEOSA-N -1 3 329.783 3.698 20 30 EHEDHM CCN(CC)c1ccc(/C=[NH+]/Cc2ccc(C(=O)[O-])cc2)c([O-])c1 ZINC001596290017 983710737 /nfs/dbraw/zinc/71/07/37/983710737.db2.gz WGHRNBKCQDZIBB-DEDYPNTBSA-N -1 3 326.396 3.556 20 30 EHEDHM C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001593219055 994294019 /nfs/dbraw/zinc/29/40/19/994294019.db2.gz LTCFUSSVZWEVFO-KPZWWZAWSA-N -1 3 336.391 3.690 20 30 EHEDHM COc1cc(/C=C\C(=O)c2ccc([O-])c(C)c2)c([N+](=O)[O-])cc1OC ZINC000728230213 1016260480 /nfs/dbraw/zinc/26/04/80/1016260480.db2.gz BLHIFGKYUMUVAE-DAXSKMNVSA-N -1 3 343.335 3.522 20 30 EHEDHM COc1cccc(-c2n[nH]cc2C=CC(=O)c2ccc([O-])c(C)c2)c1 ZINC000728231105 1016264614 /nfs/dbraw/zinc/26/46/14/1016264614.db2.gz HYCINGOAHFKVMY-CLFYSBASSA-N -1 3 334.375 3.995 20 30 EHEDHM Cc1cc(C(=O)C=Cc2c[nH]nc2-c2ccc3c(c2)OCO3)ccc1[O-] ZINC000728231275 1016286048 /nfs/dbraw/zinc/28/60/48/1016286048.db2.gz LKHTUDSGTMVZTD-UTCJRWHESA-N -1 3 348.358 3.716 20 30 EHEDHM C[C@@H]1[C@H](C(=O)[N-][C@@H](c2c(F)cccc2F)C(F)(F)F)C1(F)F ZINC000461091107 1032259628 /nfs/dbraw/zinc/25/96/28/1032259628.db2.gz BRCXSPFFMZTHTR-PDFZIDOMSA-N -1 3 329.215 3.586 20 30 EHEDHM CC(C)(NC(=O)CCCc1ccc([O-])c(F)c1)c1cccc(C#N)c1 ZINC000597954622 1032796133 /nfs/dbraw/zinc/79/61/33/1032796133.db2.gz IMPXRGWOXKGSNW-UHFFFAOYSA-N -1 3 340.398 3.777 20 30 EHEDHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cc1 ZINC000593187179 1032825701 /nfs/dbraw/zinc/82/57/01/1032825701.db2.gz GOFODIRWVBXIMZ-UHFFFAOYSA-N -1 3 344.436 3.687 20 30 EHEDHM [O-]c1c(O)ccc(C=Nc2cc(F)c(N3CCCCC3)c(F)c2)c1O ZINC000588397088 1020303101 /nfs/dbraw/zinc/30/31/01/1020303101.db2.gz IBSGTXHPNDTTJG-UHFFFAOYSA-N -1 3 348.349 3.823 20 30 EHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(Cl)c(F)c3)nc1-2 ZINC000345918134 1020591637 /nfs/dbraw/zinc/59/16/37/1020591637.db2.gz LADNLIMBUVZHDT-JTQLQIEISA-N -1 3 328.734 3.549 20 30 EHEDHM C[C@@H](C#N)N(C(=O)c1cc(CCc2ccccc2)ccc1[O-])C1CC1 ZINC000598132186 1032945251 /nfs/dbraw/zinc/94/52/51/1032945251.db2.gz GPOIHQKANNXJRH-HNNXBMFYSA-N -1 3 334.419 3.694 20 30 EHEDHM N#Cc1ccccc1-c1ccc(CNC(=O)c2c([O-])cccc2O)cc1 ZINC000436838267 1021270847 /nfs/dbraw/zinc/27/08/47/1021270847.db2.gz MATGOSPJILZXME-UHFFFAOYSA-N -1 3 344.370 3.566 20 30 EHEDHM N#CCCN(C(=O)c1ccc2c(c1[O-])CCCC2)c1ccc(F)cc1 ZINC000516815424 1021749683 /nfs/dbraw/zinc/74/96/83/1021749683.db2.gz QHLBDYSEPGPSHK-UHFFFAOYSA-N -1 3 338.382 3.971 20 30 EHEDHM Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)c1C#N ZINC000441357640 1022174660 /nfs/dbraw/zinc/17/46/60/1022174660.db2.gz TZSUUHQSTFZLGW-UHFFFAOYSA-N -1 3 341.219 3.974 20 30 EHEDHM C=CCOc1cccc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000426731656 1023002177 /nfs/dbraw/zinc/00/21/77/1023002177.db2.gz QGZRHCGRUPPJLJ-QGZVFWFLSA-N -1 3 331.799 3.820 20 30 EHEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(OCC(C)C)c3)nc1-2 ZINC000429604612 1023030388 /nfs/dbraw/zinc/03/03/88/1023030388.db2.gz LCAPYXRIVXFUBC-INIZCTEOSA-N -1 3 348.406 3.791 20 30 EHEDHM C=CCCS(=O)(=O)[N-]c1ccccc1-c1nc2ccccc2[nH]1 ZINC000431179769 1023390571 /nfs/dbraw/zinc/39/05/71/1023390571.db2.gz MQVUIMBEUCODLH-UHFFFAOYSA-N -1 3 327.409 3.548 20 30 EHEDHM CCOc1ccc(N(CCC#N)C(=O)c2cc(CC)ccc2[O-])cc1 ZINC000094106113 1024216837 /nfs/dbraw/zinc/21/68/37/1024216837.db2.gz IIAQVVJOUCRETO-UHFFFAOYSA-N -1 3 338.407 3.914 20 30 EHEDHM N#CC[C@@H]1CC[C@H](NC(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000452561071 1026839028 /nfs/dbraw/zinc/83/90/28/1026839028.db2.gz IJUMKVRWTRHPPQ-GJZGRUSLSA-N -1 3 336.391 3.997 20 30 EHEDHM COc1ccc(CCCCC(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000057155104 1028353719 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Cc1cc(NC2CCN(Cc3ccc(C#N)cc3)CC2)ccc1C(=O)[O-] ZINC000573339960 1035047464 /nfs/dbraw/zinc/04/74/64/1035047464.db2.gz WDRKLJQFILJBOC-UHFFFAOYSA-N -1 3 349.434 3.641 20 30 EHEDHM O=C(Cc1ccc(C(F)(F)F)cc1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000045571416 1036510342 /nfs/dbraw/zinc/51/03/42/1036510342.db2.gz MDVDOSZZVUADMI-UHFFFAOYSA-N -1 3 338.211 3.673 20 30 EHEDHM O=C(Cc1ccc(C(F)(F)F)cc1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000045571416 1036510355 /nfs/dbraw/zinc/51/03/55/1036510355.db2.gz MDVDOSZZVUADMI-UHFFFAOYSA-N -1 3 338.211 3.673 20 30 EHEDHM N#CC(=C([O-])c1c[nH]nc1-c1ccc(F)cc1)c1nc2ccccc2[nH]1 ZINC000193258306 1036585360 /nfs/dbraw/zinc/58/53/60/1036585360.db2.gz PSZCNZXSPNGDNN-ZDUSSCGKSA-N -1 3 345.337 3.582 20 30 EHEDHM CCCCCc1cc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)n[nH]1 ZINC000659101293 1037177047 /nfs/dbraw/zinc/17/70/47/1037177047.db2.gz OGZQORQKNMBALN-CQSZACIVSA-N -1 3 335.411 3.817 20 30 EHEDHM N#Cc1ccsc1[N-]C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000443824881 1037653145 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GATBGOWUYBZTPL-UHFFFAOYSA-N -1 3 329.665 3.779 20 30 EHEDHM N#Cc1ccccc1NC(=S)Nc1ccc([O-])c(Br)c1 ZINC001196320495 1135545809 /nfs/dbraw/zinc/54/58/09/1135545809.db2.gz SADFDLBKLJVYPI-UHFFFAOYSA-N -1 3 348.225 3.835 20 30 EHEDHM COc1cccc(-c2cc([O-])cc(C(=O)Nc3[nH]ccc3C#N)c2)c1 ZINC001196365284 1135556186 /nfs/dbraw/zinc/55/61/86/1135556186.db2.gz NFFCJQRYVZAXTJ-UHFFFAOYSA-N -1 3 333.347 3.520 20 30 EHEDHM O=C([N-]c1ccnc(F)c1F)c1cc(F)c(C(F)(F)F)cc1F ZINC001131428627 1135722390 /nfs/dbraw/zinc/72/23/90/1135722390.db2.gz GEQDNRFAJTZEFQ-UHFFFAOYSA-N -1 3 338.182 3.909 20 30 EHEDHM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C#N)c2)cc1 ZINC001201287384 1136000867 /nfs/dbraw/zinc/00/08/67/1136000867.db2.gz IPBZTOOHAKLCRZ-UHFFFAOYSA-N -1 3 343.452 3.514 20 30 EHEDHM CN(N=Cc1ccc2ccccc2c1[O-])C(=S)NCc1ccccc1 ZINC000814730568 1136496378 /nfs/dbraw/zinc/49/63/78/1136496378.db2.gz CYAMVLSBZJAPJQ-UHFFFAOYSA-N -1 3 349.459 3.886 20 30 EHEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cc(C(F)(F)F)nn1C 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CC(C)Oc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000820155541 606303453 /nfs/dbraw/zinc/30/34/53/606303453.db2.gz RJZRAGHEMMZHQI-BQYQJAHWSA-N -1 3 340.408 3.612 20 30 EHEDHM CC(C)Oc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000820155541 606303454 /nfs/dbraw/zinc/30/34/54/606303454.db2.gz RJZRAGHEMMZHQI-BQYQJAHWSA-N -1 3 340.408 3.612 20 30 EHEDHM C=CCCCC(=O)N(Cc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000819734787 606335275 /nfs/dbraw/zinc/33/52/75/606335275.db2.gz TXMSTAQMWFDLPK-UHFFFAOYSA-N -1 3 347.422 3.756 20 30 EHEDHM C=CCCCC(=O)N(Cc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000819734787 606335276 /nfs/dbraw/zinc/33/52/76/606335276.db2.gz TXMSTAQMWFDLPK-UHFFFAOYSA-N -1 3 347.422 3.756 20 30 EHEDHM Cc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc(C)c1F ZINC000822161484 606392123 /nfs/dbraw/zinc/39/21/23/606392123.db2.gz PQSQULYWCOSYIB-HWKANZROSA-N -1 3 328.372 3.580 20 30 EHEDHM N#Cc1cccc(CSc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000822837013 606629487 /nfs/dbraw/zinc/62/94/87/606629487.db2.gz FEJYSOIFHIDAEZ-UHFFFAOYSA-N 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WOCKBHPTLUWNIT-UHFFFAOYSA-N -1 3 327.800 3.684 20 30 EHEDHM N#Cc1c(Cl)cccc1SCc1cccc(-c2nn[n-]n2)c1 ZINC000826383350 608207532 /nfs/dbraw/zinc/20/75/32/608207532.db2.gz WOCKBHPTLUWNIT-UHFFFAOYSA-N -1 3 327.800 3.684 20 30 EHEDHM Cc1cc(C)c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000826263039 609271881 /nfs/dbraw/zinc/27/18/81/609271881.db2.gz ITZKNTOMKLADHK-SREVYHEPSA-N -1 3 336.370 3.827 20 30 EHEDHM Cc1cc(C)c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000826263039 609271883 /nfs/dbraw/zinc/27/18/83/609271883.db2.gz ITZKNTOMKLADHK-SREVYHEPSA-N -1 3 336.370 3.827 20 30 EHEDHM O=C(C=Cc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826399904 609272258 /nfs/dbraw/zinc/27/22/58/609272258.db2.gz JOPLTFCKEPMQJA-FPYGCLRLSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826399904 609272260 /nfs/dbraw/zinc/27/22/60/609272260.db2.gz JOPLTFCKEPMQJA-FPYGCLRLSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1ccc(F)cc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400969 609274739 /nfs/dbraw/zinc/27/47/39/609274739.db2.gz MAQRUEVYHRMBMS-ZZXKWVIFSA-N -1 3 346.724 3.694 20 30 EHEDHM O=C(C=Cc1ccc(F)cc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400969 609274740 /nfs/dbraw/zinc/27/47/40/609274740.db2.gz MAQRUEVYHRMBMS-ZZXKWVIFSA-N -1 3 346.724 3.694 20 30 EHEDHM Cc1cc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc(C)c1F ZINC000822160433 945966003 /nfs/dbraw/zinc/96/60/03/945966003.db2.gz HPNIBIZPFVTUSQ-ARJAWSKDSA-N -1 3 328.372 3.580 20 30 EHEDHM Cc1cc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc(C)c1F ZINC000822160433 945966010 /nfs/dbraw/zinc/96/60/10/945966010.db2.gz HPNIBIZPFVTUSQ-ARJAWSKDSA-N -1 3 328.372 3.580 20 30 EHEDHM C=C(C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)[C@H](C)[C@H](C)CC2 ZINC001573293922 946972696 /nfs/dbraw/zinc/97/26/96/946972696.db2.gz OHAAVSSEMNAQFH-GHMZBOCLSA-N -1 3 345.472 3.909 20 30 EHEDHM C=C(C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)[C@H](C)[C@H](C)CC2 ZINC001573293922 946972703 /nfs/dbraw/zinc/97/27/03/946972703.db2.gz OHAAVSSEMNAQFH-GHMZBOCLSA-N -1 3 345.472 3.909 20 30 EHEDHM C=C(C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC001573293921 946973577 /nfs/dbraw/zinc/97/35/77/946973577.db2.gz OGMLHGMGKKEQMS-UHFFFAOYSA-N -1 3 345.472 3.882 20 30 EHEDHM C=C(C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC001573293921 946973585 /nfs/dbraw/zinc/97/35/85/946973585.db2.gz OGMLHGMGKKEQMS-UHFFFAOYSA-N -1 3 345.472 3.882 20 30 EHEDHM N#C[C@H](Cc1ccccc1)Sc1cccc(Cl)c1-c1nnn[n-]1 ZINC000826379914 948175584 /nfs/dbraw/zinc/17/55/84/948175584.db2.gz GTAXGPLGCFEPOG-LBPRGKRZSA-N -1 3 341.827 3.747 20 30 EHEDHM N#C[C@H](Cc1ccccc1)Sc1cccc(Cl)c1-c1nn[n-]n1 ZINC000826379914 948175593 /nfs/dbraw/zinc/17/55/93/948175593.db2.gz GTAXGPLGCFEPOG-LBPRGKRZSA-N -1 3 341.827 3.747 20 30 EHEDHM O=C([O-])CC[C@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC001595018771 951305411 /nfs/dbraw/zinc/30/54/11/951305411.db2.gz DCUXXRJKRQMNDS-OAHLLOKOSA-N -1 3 339.357 3.634 20 30 EHEDHM CC(C)(C)n1ncc(C([O-])=C(C#N)c2ccccn2)c1C(F)(F)F ZINC000049457948 1014180087 /nfs/dbraw/zinc/18/00/87/1014180087.db2.gz IBVYIQIQTNRTEG-JTQLQIEISA-N -1 3 336.317 3.542 20 30 EHEDHM CC(C)c1ccc2c(c1)CCN([C@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC001591974630 976591619 /nfs/dbraw/zinc/59/16/19/976591619.db2.gz ZRVGKXMSBQNEIG-FQEVSTJZSA-N -1 3 334.419 3.866 20 30 EHEDHM Cc1[nH]c2ccc(CN[C@@H](C(=O)[O-])c3cccc(C#N)c3)cc2c1C ZINC001599964932 985883998 /nfs/dbraw/zinc/88/39/98/985883998.db2.gz BUNUUWGZNPGNKX-LJQANCHMSA-N -1 3 333.391 3.572 20 30 EHEDHM CC[C@H]1c2ccccc2CN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000890609985 1015263887 /nfs/dbraw/zinc/26/38/87/1015263887.db2.gz OEWISKNTWXEULA-IBGZPJMESA-N -1 3 349.434 3.702 20 30 EHEDHM CN(Cc1ccc(F)c(Cl)c1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001598517430 992633827 /nfs/dbraw/zinc/63/38/27/992633827.db2.gz JATQPZMGMALJKW-MRXNPFEDSA-N -1 3 332.762 3.608 20 30 EHEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccsc2Cl)ccc1Cl ZINC000189732198 1016702335 /nfs/dbraw/zinc/70/23/35/1016702335.db2.gz LUPWHKWAZDWKSY-UHFFFAOYSA-N -1 3 333.221 3.727 20 30 EHEDHM N#C[C@@H]([N-]C(=O)c1c(F)c(F)cc(F)c1F)c1ccc(Cl)cc1 ZINC000159360425 1032264536 /nfs/dbraw/zinc/26/45/36/1032264536.db2.gz PHOYZNGDTJKCCJ-LLVKDONJSA-N -1 3 342.679 3.891 20 30 EHEDHM Cc1cccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c1Cl ZINC000537197272 1032554447 /nfs/dbraw/zinc/55/44/47/1032554447.db2.gz VMYRTKMUYHTTDL-UHFFFAOYSA-N -1 3 341.219 3.974 20 30 EHEDHM COc1ccc(C=NNc2cccc(F)c2)c(Br)c1[O-] ZINC000761010727 1032715783 /nfs/dbraw/zinc/71/57/83/1032715783.db2.gz CIPBQRQDQOLMFH-UHFFFAOYSA-N -1 3 339.164 3.748 20 30 EHEDHM COc1ccc(C=NNCCC(C)(C)C)c(Br)c1[O-] ZINC000761014451 1032810359 /nfs/dbraw/zinc/81/03/59/1032810359.db2.gz YXFMXJQWZSWPFW-UHFFFAOYSA-N -1 3 329.238 3.523 20 30 EHEDHM Cc1csc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)n1 ZINC000755592249 1032856528 /nfs/dbraw/zinc/85/65/28/1032856528.db2.gz YGESCOAHHOGXHW-UHFFFAOYSA-N -1 3 347.494 3.506 20 30 EHEDHM N#CC(=C([O-])c1ccc(C2SCCCS2)cc1)c1ccncn1 ZINC000760341057 1032877382 /nfs/dbraw/zinc/87/73/82/1032877382.db2.gz QAACDJYQXZKSCS-AWEZNQCLSA-N -1 3 341.461 3.835 20 30 EHEDHM COc1ccc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@H]2C)cc1OC ZINC000018917383 1022041484 /nfs/dbraw/zinc/04/14/84/1022041484.db2.gz UKFHZQVQSFOGKK-UVIKPUKZSA-N -1 3 328.339 3.932 20 30 EHEDHM CCSCc1cc(C(=O)[N-]c2sc(C)c(CC)c2C#N)no1 ZINC000471793616 1022238132 /nfs/dbraw/zinc/23/81/32/1022238132.db2.gz OSHKKLOWIXLVDQ-UHFFFAOYSA-N -1 3 335.454 3.984 20 30 EHEDHM Cc1csc(C(C#N)=C([O-])c2ccc(O[C@@H]3CC3(F)F)cc2)n1 ZINC000528906012 1033048798 /nfs/dbraw/zinc/04/87/98/1033048798.db2.gz CSDTZBROSFSXON-CHWSQXEVSA-N -1 3 334.347 3.728 20 30 EHEDHM CC(C)(C)C1CCC(C#N)(NC(=O)c2cc(F)cc3n[n-]nc32)CC1 ZINC000328660949 1022457969 /nfs/dbraw/zinc/45/79/69/1022457969.db2.gz WHCLITSUGASNSR-UHFFFAOYSA-N -1 3 343.406 3.900 20 30 EHEDHM C=CCOc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(OC)c2)cc1 ZINC000426799004 1023054536 /nfs/dbraw/zinc/05/45/36/1023054536.db2.gz GVPZQTPDYVXUBQ-IBGZPJMESA-N -1 3 341.407 3.566 20 30 EHEDHM C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000425103244 1024186186 /nfs/dbraw/zinc/18/61/86/1024186186.db2.gz AUJVWSKEKBDDCN-AWEZNQCLSA-N -1 3 340.398 3.945 20 30 EHEDHM CCCC[C@H](CCC)CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000084825996 1025147974 /nfs/dbraw/zinc/14/79/74/1025147974.db2.gz CSMQHQOLWGUEIF-INIZCTEOSA-N -1 3 345.487 3.519 20 30 EHEDHM CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)N(C)CC3)n1 ZINC000530403501 1025774574 /nfs/dbraw/zinc/77/45/74/1025774574.db2.gz MUXMYFSCNYZQLV-AWEZNQCLSA-N -1 3 325.437 3.749 20 30 EHEDHM Cc1cc(C(C#N)=C([O-])c2cncc(-c3ccccc3)c2)nc(C)n1 ZINC000342517503 1026031683 /nfs/dbraw/zinc/03/16/83/1026031683.db2.gz VQJYSKWKMWEBAP-GOSISDBHSA-N -1 3 328.375 3.646 20 30 EHEDHM C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc(Cl)c([O-])c(OC)c1 ZINC000024034498 1026847237 /nfs/dbraw/zinc/84/72/37/1026847237.db2.gz BKKKPYSVHUYMAW-KRWDZBQOSA-N -1 3 344.798 3.807 20 30 EHEDHM C#Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC001211926761 1027325104 /nfs/dbraw/zinc/32/51/04/1027325104.db2.gz LFBKFKCNRSXPFB-UHFFFAOYSA-N -1 3 346.260 3.515 20 30 EHEDHM [O-]c1ccc(Cl)cc1/C=N/Cc1ccc(Cn2cccn2)cc1 ZINC000016703020 1027685550 /nfs/dbraw/zinc/68/55/50/1027685550.db2.gz NAFHSLIOIMXSTN-UDWIEESQSA-N -1 3 325.799 3.910 20 30 EHEDHM CC1(C)CCCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)[C@H]1C#N ZINC000444716530 1028209110 /nfs/dbraw/zinc/20/91/10/1028209110.db2.gz JZTHTWNWKKZLRR-AWEZNQCLSA-N -1 3 336.395 3.596 20 30 EHEDHM Cc1ccc(/N=C/c2cccc([O-])c2O)cc1C(=O)N(C)C(C)C ZINC000278232953 1029744618 /nfs/dbraw/zinc/74/46/18/1029744618.db2.gz KNEPIKQAXIROKV-RGVLZGJSSA-N -1 3 326.396 3.637 20 30 EHEDHM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)ccc1OC(C)C ZINC000525521782 1029880951 /nfs/dbraw/zinc/88/09/51/1029880951.db2.gz YPMCOOHPHKRHJJ-UHFFFAOYSA-N -1 3 344.436 3.763 20 30 EHEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(OC)cc1[O-] ZINC000120346770 1029968533 /nfs/dbraw/zinc/96/85/33/1029968533.db2.gz IBDBJZOIGVKKPT-UHFFFAOYSA-N -1 3 337.828 3.944 20 30 EHEDHM Cc1c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cnn1CCC(C)C ZINC000160053021 1030501014 /nfs/dbraw/zinc/50/10/14/1030501014.db2.gz BREMASDQINIZPE-CQSZACIVSA-N -1 3 335.411 3.604 20 30 EHEDHM Cc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)s1 ZINC000128713218 1030684993 /nfs/dbraw/zinc/68/49/93/1030684993.db2.gz KWRBMWXAVRJBGX-OAHLLOKOSA-N -1 3 349.415 3.874 20 30 EHEDHM Cc1nc(-c2ccccc2[N-]S(=O)(=O)CCC(C)(C)C#N)cs1 ZINC000566682954 1030694207 /nfs/dbraw/zinc/69/42/07/1030694207.db2.gz YMFRHMJMOHIXEZ-UHFFFAOYSA-N -1 3 349.481 3.800 20 30 EHEDHM C[C@@H](C#N)CN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])C1CC1 ZINC000537671340 1030933495 /nfs/dbraw/zinc/93/34/95/1030933495.db2.gz WPKFEQLWGAZYAD-HNNXBMFYSA-N -1 3 334.419 3.747 20 30 EHEDHM CC#CC[C@H](NCc1cc(Cl)ccc1OC1CCCC1)C(=O)[O-] ZINC000904059187 1031684556 /nfs/dbraw/zinc/68/45/56/1031684556.db2.gz UAGJIBQIEUTGAA-INIZCTEOSA-N -1 3 335.831 3.618 20 30 EHEDHM C[C@H]1C(=O)CC[C@@H]1CC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904180149 1031802449 /nfs/dbraw/zinc/80/24/49/1031802449.db2.gz HVFYTMREBMLXJI-MWLCHTKSSA-N -1 3 330.211 3.717 20 30 EHEDHM CSc1ccc([O-])c(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000596742258 1034372103 /nfs/dbraw/zinc/37/21/03/1034372103.db2.gz VLTXVQUYRTYQLB-UHFFFAOYSA-N -1 3 338.432 3.791 20 30 EHEDHM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000045571176 1036511244 /nfs/dbraw/zinc/51/12/44/1036511244.db2.gz AKCIRSQALUVHPD-ZCFIWIBFSA-N -1 3 334.685 3.532 20 30 EHEDHM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000045571176 1036511262 /nfs/dbraw/zinc/51/12/62/1036511262.db2.gz AKCIRSQALUVHPD-ZCFIWIBFSA-N -1 3 334.685 3.532 20 30 EHEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)cnn1-c1ccc(Cl)cc1 ZINC000041482305 1038735667 /nfs/dbraw/zinc/73/56/67/1038735667.db2.gz WLPOIFMHGXLNHF-OAHLLOKOSA-N -1 3 336.782 3.719 20 30 EHEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccccc1Nc1ccc(C)cc1 ZINC000462079601 1038748388 /nfs/dbraw/zinc/74/83/88/1038748388.db2.gz GPBVIRGUNUCUPT-OAHLLOKOSA-N -1 3 329.425 3.783 20 30 EHEDHM CCOC(=O)Nc1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cc1 ZINC000041495923 1038782576 /nfs/dbraw/zinc/78/25/76/1038782576.db2.gz KBWXDDWTPOOZOY-CQSZACIVSA-N -1 3 348.362 3.621 20 30 EHEDHM C=CCOc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1OC ZINC000067145513 1040481684 /nfs/dbraw/zinc/48/16/84/1040481684.db2.gz UXCFCNYXORZWMB-UHFFFAOYSA-N -1 3 333.771 3.871 20 30 EHEDHM COc1cc(/C=C\C(=O)c2cnn(CC3CCC3)c2)cc(Cl)c1[O-] ZINC000899425279 1040488617 /nfs/dbraw/zinc/48/86/17/1040488617.db2.gz GQDDHLSGKSJSPU-WAYWQWQTSA-N -1 3 346.814 3.947 20 30 EHEDHM CC(C)(C)c1ccccc1OCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000029389050 1040567793 /nfs/dbraw/zinc/56/77/93/1040567793.db2.gz NXOWFBDJRUYYIA-UHFFFAOYSA-N -1 3 342.321 3.788 20 30 EHEDHM CC(C)(C)c1ccccc1OCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000029389050 1040567816 /nfs/dbraw/zinc/56/78/16/1040567816.db2.gz NXOWFBDJRUYYIA-UHFFFAOYSA-N -1 3 342.321 3.788 20 30 EHEDHM Cc1ccc(-c2nsc([N-]C(=O)c3ccc(C#N)s3)n2)s1 ZINC000487324344 1040916568 /nfs/dbraw/zinc/91/65/68/1040916568.db2.gz VLHBHXXHMAMKEQ-UHFFFAOYSA-N -1 3 332.435 3.761 20 30 EHEDHM COc1cnc(F)c(C(=O)[N-]c2ccccc2S[C@H](C)CC#N)c1 ZINC001126122913 1042254333 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Cc1ccc(-c2cc(C(=O)OC[C@@H](C#N)Cc3ccccc3)n[n-]2)o1 ZINC000175371456 1123665975 /nfs/dbraw/zinc/66/59/75/1123665975.db2.gz LBTNABUDEHNMJX-OAHLLOKOSA-N -1 3 335.363 3.517 20 30 EHEDHM Cc1ccc(-c2cc(C(=O)OC[C@@H](C#N)Cc3ccccc3)[n-]n2)o1 ZINC000175371456 1123665977 /nfs/dbraw/zinc/66/59/77/1123665977.db2.gz LBTNABUDEHNMJX-OAHLLOKOSA-N -1 3 335.363 3.517 20 30 EHEDHM N#Cc1cc(Cl)c(-c2noc(-c3ccc([O-])cn3)n2)cc1Cl ZINC001212558227 1130381055 /nfs/dbraw/zinc/38/10/55/1130381055.db2.gz XMTQXKZXBDYWIW-UHFFFAOYSA-N -1 3 333.134 3.683 20 30 EHEDHM COc1ccc(/C=C2/C(=O)c3c(c(F)ccc3[O-])[C@@H]2C)cc1OC ZINC000730590738 1130721610 /nfs/dbraw/zinc/72/16/10/1130721610.db2.gz UKFHZQVQSFOGKK-ZDIKFAODSA-N -1 3 328.339 3.932 20 30 EHEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1ccc(-c2ccco2)s1 ZINC000766257785 1131547134 /nfs/dbraw/zinc/54/71/34/1131547134.db2.gz OVYJBFBYBWNYPI-ZDUSSCGKSA-N -1 3 336.372 3.969 20 30 EHEDHM CCc1ccc([O-])c(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)c1 ZINC000746411674 1132515667 /nfs/dbraw/zinc/51/56/67/1132515667.db2.gz ICXGIFGUNDCZAE-UHFFFAOYSA-N -1 3 335.363 3.771 20 30 EHEDHM CCOC(=O)c1cc(C#N)c(Nc2ccccc2C(C)=O)c(C)c1[O-] ZINC001175181851 1132590290 /nfs/dbraw/zinc/59/02/90/1132590290.db2.gz ZKUVAJNGBPAAGC-UHFFFAOYSA-N -1 3 338.363 3.695 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@H]1CCC[C@H](C)C1 ZINC000770925627 1133485867 /nfs/dbraw/zinc/48/58/67/1133485867.db2.gz FYMJSLYUZZWZRX-SWLSCSKDSA-N -1 3 330.428 3.578 20 30 EHEDHM CCC(CC)CNN=Cc1cc(Br)c([O-])c(OC)c1 ZINC000774463886 1133684016 /nfs/dbraw/zinc/68/40/16/1133684016.db2.gz SCXACEJCBZTPDK-UHFFFAOYSA-N -1 3 329.238 3.523 20 30 EHEDHM C[C@H](C(=O)Nc1cc(Br)ccc1[O-])c1ccc(C#N)cc1 ZINC001182799673 1133730293 /nfs/dbraw/zinc/73/02/93/1133730293.db2.gz WOBPJLLHIFPJMQ-JTQLQIEISA-N -1 3 345.196 3.769 20 30 EHEDHM Cc1cc(C(F)(F)F)ccc1C/N=C/c1c([O-])c(C)ncc1CO ZINC000786028616 1133788138 /nfs/dbraw/zinc/78/81/38/1133788138.db2.gz WPVYVLPVWALOSD-ODCIPOBUSA-N -1 3 338.329 3.534 20 30 EHEDHM Cc1cccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1Cl ZINC000774662040 1133840043 /nfs/dbraw/zinc/84/00/43/1133840043.db2.gz HUABJYFWWSSFFO-UHFFFAOYSA-N -1 3 344.798 3.776 20 30 EHEDHM CCCCCCN([O-])C(=O)[C@@H]1CC(=O)N(c2ccc(CCC)cc2)C1 ZINC001184305590 1133919755 /nfs/dbraw/zinc/91/97/55/1133919755.db2.gz MYUGGDHLTJZMFK-QGZVFWFLSA-N -1 3 346.471 3.790 20 30 EHEDHM CCCCCCN([O-])C(=O)[C@@H]1c2ccccc2C(=O)OC12CCC2 ZINC001184315351 1133920976 /nfs/dbraw/zinc/92/09/76/1133920976.db2.gz XLOIJQXWNFVWQS-INIZCTEOSA-N -1 3 331.412 3.661 20 30 EHEDHM COC(C)(C)c1nc(C)c(C(=O)N([O-])Cc2ccc(F)cc2)s1 ZINC001184348723 1133930651 /nfs/dbraw/zinc/93/06/51/1133930651.db2.gz RYKWOUNLPYSEKI-UHFFFAOYSA-N -1 3 338.404 3.504 20 30 EHEDHM Cc1ncc(CO)c(/C=N/C[C@H](Cc2ccccc2)C(C)C)c1[O-] ZINC000787142405 1133958846 /nfs/dbraw/zinc/95/88/46/1133958846.db2.gz WETQANVILKFSKC-RHLNUJDMSA-N -1 3 326.440 3.522 20 30 EHEDHM Cc1cc(S(=O)(=O)[N-]c2cc(F)c(C#N)cc2F)ccc1Cl ZINC001185521285 1134102119 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N#Cc1c(F)ccc(NC(=O)c2ccc([O-])cc2C(F)(F)F)c1F ZINC001193746719 1135181221 /nfs/dbraw/zinc/18/12/21/1135181221.db2.gz ZDHYGGHWAZDRII-UHFFFAOYSA-N -1 3 342.223 3.813 20 30 EHEDHM N#C[C@@H](OC(=O)c1cccc(Br)c1[O-])C1CCCCC1 ZINC000776388349 1136174439 /nfs/dbraw/zinc/17/44/39/1136174439.db2.gz VJLXPGQKQCJNIN-CYBMUJFWSA-N -1 3 338.201 3.784 20 30 EHEDHM CC1(C)[C@@]2(C)CC[C@]1(C([O-])=C(C#N)c1nccc3ccccc31)OC2=O ZINC000860703000 1137073913 /nfs/dbraw/zinc/07/39/13/1137073913.db2.gz VUOXKIKYSPUWKH-GQWLDOHISA-N -1 3 348.402 3.533 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC1CCC2(CC2)CC1 ZINC000861246463 1137098907 /nfs/dbraw/zinc/09/89/07/1137098907.db2.gz XTJXSRZDOUQFEC-UHFFFAOYSA-N -1 3 342.439 3.722 20 30 EHEDHM Cc1c(N=NC2C[C@H](C)N(Cc3ccccc3)C2)cccc1C(=O)[O-] ZINC000844624429 1137240350 /nfs/dbraw/zinc/24/03/50/1137240350.db2.gz PYCWWBNSQLGAPV-AWEZNQCLSA-N -1 3 337.423 3.756 20 30 EHEDHM Cc1ccc(OCC(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)c(C)c1 ZINC000845835557 1137314153 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C[C@@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(F)c(Cl)c1 ZINC000827717348 601301861 /nfs/dbraw/zinc/30/18/61/601301861.db2.gz GTAYJGHKLYZIRI-HWPZZCPQSA-N -1 3 332.762 3.827 20 30 EHEDHM CCCOc1ccc([C@H](C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000829528029 601302930 /nfs/dbraw/zinc/30/29/30/601302930.db2.gz OPYGKDFWXJAUOU-LIRRHRJNSA-N -1 3 338.407 3.824 20 30 EHEDHM N#CCC[C@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000826381374 607679181 /nfs/dbraw/zinc/67/91/81/607679181.db2.gz JGLOKMDJLPUXTR-INIZCTEOSA-N -1 3 338.802 3.977 20 30 EHEDHM N#CCC[C@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000826381374 607679182 /nfs/dbraw/zinc/67/91/82/607679182.db2.gz JGLOKMDJLPUXTR-INIZCTEOSA-N -1 3 338.802 3.977 20 30 EHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cccc2ccccc21 ZINC000822929549 606388337 /nfs/dbraw/zinc/38/83/37/606388337.db2.gz VNUFXEWOIVHVQY-NTMALXAHSA-N -1 3 332.388 3.978 20 30 EHEDHM CC(C)(C#N)CCCNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819892058 606827964 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O=C(C=Cc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400945 609272958 /nfs/dbraw/zinc/27/29/58/609272958.db2.gz LQJODGKZGJXRHG-QPJJXVBHSA-N -1 3 328.734 3.555 20 30 EHEDHM C=CC[C@H](CC)Nc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC001573319973 947342103 /nfs/dbraw/zinc/34/21/03/947342103.db2.gz SWKVYFSFDCALEB-ZDUSSCGKSA-N -1 3 347.426 3.743 20 30 EHEDHM C=CC[C@H](CC)Nc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC001573319973 947342114 /nfs/dbraw/zinc/34/21/14/947342114.db2.gz SWKVYFSFDCALEB-ZDUSSCGKSA-N -1 3 347.426 3.743 20 30 EHEDHM Cc1cc(C)c2c(c1)C(=O)C(=Cc1ccccc1-c1nnn[n-]1)CCO2 ZINC000826263712 947762591 /nfs/dbraw/zinc/76/25/91/947762591.db2.gz MZONAOVTVLSICX-RVDMUPIBSA-N -1 3 346.390 3.532 20 30 EHEDHM Cc1cc(C)c2c(c1)C(=O)C(=Cc1ccccc1-c1nn[n-]n1)CCO2 ZINC000826263712 947762594 /nfs/dbraw/zinc/76/25/94/947762594.db2.gz MZONAOVTVLSICX-RVDMUPIBSA-N -1 3 346.390 3.532 20 30 EHEDHM O=C(C=Cc1coc2ccccc12)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826403542 948228707 /nfs/dbraw/zinc/22/87/07/948228707.db2.gz VEJFMJIBYZYMSX-SOFGYWHQSA-N -1 3 334.310 3.648 20 30 EHEDHM O=C(C=Cc1coc2ccccc12)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826403542 948228720 /nfs/dbraw/zinc/22/87/20/948228720.db2.gz VEJFMJIBYZYMSX-SOFGYWHQSA-N -1 3 334.310 3.648 20 30 EHEDHM O=C([O-])CC[C@@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC001595018767 951304876 /nfs/dbraw/zinc/30/48/76/951304876.db2.gz DCUXXRJKRQMNDS-HNNXBMFYSA-N -1 3 339.357 3.634 20 30 EHEDHM N#Cc1cc(F)c(C(=O)[N-]c2nc(-c3ccccc3)co2)c(F)c1 ZINC000339402344 1014358880 /nfs/dbraw/zinc/35/88/80/1014358880.db2.gz UMXHUJZWEDSZFV-UHFFFAOYSA-N -1 3 325.274 3.744 20 30 EHEDHM C=CCN(CCc1ccccc1)Cc1cc(C(=O)[O-])ccc1OC ZINC000903597138 980980023 /nfs/dbraw/zinc/98/00/23/980980023.db2.gz ZTYAKVLTGJDGIJ-UHFFFAOYSA-N -1 3 325.408 3.624 20 30 EHEDHM CN(Cc1ccc(Cl)c(F)c1)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001598517649 992636846 /nfs/dbraw/zinc/63/68/46/992636846.db2.gz FLWCSIBJFMTFKP-MRXNPFEDSA-N -1 3 332.762 3.608 20 30 EHEDHM C=C(C)c1cccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000890891165 1017252231 /nfs/dbraw/zinc/25/22/31/1017252231.db2.gz OHZYWDHOMPGANI-UHFFFAOYSA-N -1 3 335.407 3.880 20 30 EHEDHM Cc1ccc([O-])c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)c1 ZINC000602225373 1032718152 /nfs/dbraw/zinc/71/81/52/1032718152.db2.gz DPNITWVGGJJHMB-UHFFFAOYSA-N -1 3 349.415 3.872 20 30 EHEDHM COCCOc1cc(N=Cc2cc(Cl)ccc2[O-])ccc1OC ZINC000255138674 1018171080 /nfs/dbraw/zinc/17/10/80/1018171080.db2.gz BFNVHCCSYMWFLW-UHFFFAOYSA-N -1 3 335.787 3.830 20 30 EHEDHM COCCOC(=O)Nc1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000255309343 1018926446 /nfs/dbraw/zinc/92/64/46/1018926446.db2.gz KIUDJDIQRGBUHW-UHFFFAOYSA-N -1 3 348.786 3.991 20 30 EHEDHM N#CC(=C([O-])C=Cc1ccccc1Cl)c1nnc2n1CCCCC2 ZINC000060851178 1033083702 /nfs/dbraw/zinc/08/37/02/1033083702.db2.gz ZWNWNRSMDHTYCF-ATWMFIQVSA-N -1 3 340.814 3.548 20 30 EHEDHM C=C(C)COc1cc(CN[C@H](C(=O)[O-])c2ccsc2)ccc1OC ZINC000426832528 1023081009 /nfs/dbraw/zinc/08/10/09/1023081009.db2.gz JTLLUBRBYCKDHN-KRWDZBQOSA-N -1 3 347.436 3.627 20 30 EHEDHM Cc1ccncc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000426168995 1023523538 /nfs/dbraw/zinc/52/35/38/1023523538.db2.gz XGHMBHPMOBPLLR-NSHDSACASA-N -1 3 326.306 3.625 20 30 EHEDHM N#C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C1CCCCC1 ZINC000535892211 1023963041 /nfs/dbraw/zinc/96/30/41/1023963041.db2.gz QGMKPYBPZCRSKT-LBPRGKRZSA-N -1 3 347.267 3.744 20 30 EHEDHM C=CC[C@@H](C(=O)Nc1ccc(C(=O)OCC)cc1[O-])c1ccccc1 ZINC000427631406 1024544633 /nfs/dbraw/zinc/54/46/33/1024544633.db2.gz YJCSFOZQGMBIBV-MRXNPFEDSA-N -1 3 339.391 3.867 20 30 EHEDHM CC1(C#N)CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000436575370 1025877930 /nfs/dbraw/zinc/87/79/30/1025877930.db2.gz IQNGGCYJGXJSOO-UHFFFAOYSA-N -1 3 348.446 3.943 20 30 EHEDHM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000443412604 1026011758 /nfs/dbraw/zinc/01/17/58/1026011758.db2.gz CCCJWXYAYQTPLF-UHFFFAOYSA-N -1 3 343.448 3.931 20 30 EHEDHM N#Cc1ccc(C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])cn1 ZINC000340326635 1026978198 /nfs/dbraw/zinc/97/81/98/1026978198.db2.gz AQWLHXCTRNFGNB-UHFFFAOYSA-N -1 3 329.359 3.502 20 30 EHEDHM N#Cc1cnn(-c2ccc(F)cc2)c1Nc1ccc([O-])c(F)c1F ZINC001212000118 1028479279 /nfs/dbraw/zinc/47/92/79/1028479279.db2.gz OFAQKPJDOALTGX-UHFFFAOYSA-N -1 3 330.269 3.610 20 30 EHEDHM [O-]c1ccc(F)c(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)c1F ZINC000508670508 1029469904 /nfs/dbraw/zinc/46/99/04/1029469904.db2.gz HZZZNZWVLWKYBI-UHFFFAOYSA-N -1 3 349.221 3.987 20 30 EHEDHM C=CCC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000533252610 1029530015 /nfs/dbraw/zinc/53/00/15/1029530015.db2.gz PQFULLDYMXKSNH-HNNXBMFYSA-N -1 3 346.408 3.581 20 30 EHEDHM CC(C)n1nccc1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904180374 1031804014 /nfs/dbraw/zinc/80/40/14/1031804014.db2.gz KOCYRIXVSBWPAV-UHFFFAOYSA-N -1 3 328.199 3.802 20 30 EHEDHM C[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)[C@@H]1OCCc2sccc21 ZINC000904177816 1031828814 /nfs/dbraw/zinc/82/88/14/1031828814.db2.gz OQKARXOBCAPQLJ-BZNIZROVSA-N -1 3 335.400 3.555 20 30 EHEDHM Cc1n[nH]c(C)c1[C@H](C)CC(=O)N([O-])CCCCc1ccccc1 ZINC000904196829 1031843372 /nfs/dbraw/zinc/84/33/72/1031843372.db2.gz ICCQFFGMNRHBTH-CQSZACIVSA-N -1 3 329.444 3.761 20 30 EHEDHM CCc1cc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)o1 ZINC000177945992 1035461944 /nfs/dbraw/zinc/46/19/44/1035461944.db2.gz CJKBHPCVSSTACV-CQSZACIVSA-N -1 3 330.771 3.765 20 30 EHEDHM CCCC1(c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)CCC1 ZINC000591455340 1035989422 /nfs/dbraw/zinc/98/94/22/1035989422.db2.gz JRUUJCFAPOKZTQ-UHFFFAOYSA-N -1 3 340.427 3.666 20 30 EHEDHM CCOc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1OCC ZINC000041519764 1038116247 /nfs/dbraw/zinc/11/62/47/1038116247.db2.gz MSNQVUYENIWKDJ-CYBMUJFWSA-N -1 3 330.409 3.739 20 30 EHEDHM CCOc1ccccc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000041555322 1038118844 /nfs/dbraw/zinc/11/88/44/1038118844.db2.gz HVFJDVOGSGTDOO-ZDUSSCGKSA-N -1 3 334.297 3.989 20 30 EHEDHM N#Cc1ccc(OC2CCN(Cc3cc(F)cc(F)c3[O-])CC2)cc1 ZINC000894003560 1039961978 /nfs/dbraw/zinc/96/19/78/1039961978.db2.gz NLGKRTSEZOROMT-UHFFFAOYSA-N -1 3 344.361 3.585 20 30 EHEDHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000479161338 1040007576 /nfs/dbraw/zinc/00/75/76/1040007576.db2.gz QFXKSNQRCMNWTJ-HZMBPMFUSA-N -1 3 347.267 3.744 20 30 EHEDHM C#CCCCc1nnc([N-]c2ccccc2OCC(F)(F)F)o1 ZINC000899256330 1040229017 /nfs/dbraw/zinc/22/90/17/1040229017.db2.gz YYUNFNYPOFCWMI-UHFFFAOYSA-N -1 3 325.290 3.710 20 30 EHEDHM C=CC[C@@H]1CCN(C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)C1 ZINC000912983558 1040504493 /nfs/dbraw/zinc/50/44/93/1040504493.db2.gz COMNWWPRVIMQPL-LLVKDONJSA-N -1 3 337.445 3.528 20 30 EHEDHM Cc1ccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c2c1CCC2 ZINC000651657091 1041853929 /nfs/dbraw/zinc/85/39/29/1041853929.db2.gz HAQXUINPLAGFLR-INIZCTEOSA-N -1 3 330.391 3.554 20 30 EHEDHM N#Cc1cc([N-]C(=O)c2scnc2C2CC2)c(Cl)c([N+](=O)[O-])c1 ZINC000764307547 1127476696 /nfs/dbraw/zinc/47/66/96/1127476696.db2.gz SCFIISYOOZMKIB-UHFFFAOYSA-N -1 3 348.771 3.706 20 30 EHEDHM C[C@@H](C(=O)N([O-])CCCCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001649051895 1128025218 /nfs/dbraw/zinc/02/52/18/1128025218.db2.gz KIWLEEXOPOVPRX-OAHLLOKOSA-N -1 3 342.395 3.939 20 30 EHEDHM CCCCN([O-])C(=O)c1cnn(-c2ccc(C)cc2)c1C(F)(F)F ZINC001649061683 1128090033 /nfs/dbraw/zinc/09/00/33/1128090033.db2.gz UJQZCGBSTYXDJQ-UHFFFAOYSA-N -1 3 341.333 3.831 20 30 EHEDHM O=C(C1=Cc2ccccc2O[C@@H]1C(F)F)N([O-])Cc1ccc(F)cc1 ZINC001649075755 1128152897 /nfs/dbraw/zinc/15/28/97/1128152897.db2.gz DUPUPSJRLYEIDO-INIZCTEOSA-N -1 3 349.308 3.653 20 30 EHEDHM C[C@@H](NCC1(C#N)CCC1)c1cc(Br)c(F)cc1[O-] ZINC000903033647 1128451362 /nfs/dbraw/zinc/45/13/62/1128451362.db2.gz WZCSXPJOSMZYKI-SECBINFHSA-N -1 3 327.197 3.638 20 30 EHEDHM C#CC[C@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001660360616 1120107673 /nfs/dbraw/zinc/10/76/73/1120107673.db2.gz ADDYFEPDNFVFCP-JTQLQIEISA-N -1 3 328.637 3.653 20 30 EHEDHM CO[C@@H]1CCC[C@@H](C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C1 ZINC001649025935 1121851750 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[O-]c1ccc(Cl)cc1/C=N/C[C@@H](O)c1c(F)cccc1Cl ZINC000741165123 1131582343 /nfs/dbraw/zinc/58/23/43/1131582343.db2.gz GSZVEOGCOWBSPF-TZMAJHSYSA-N -1 3 328.170 3.991 20 30 EHEDHM C#CCCCSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000766293264 1131861399 /nfs/dbraw/zinc/86/13/99/1131861399.db2.gz DSQSZIRFVKVSEL-UHFFFAOYSA-N -1 3 344.827 3.680 20 30 EHEDHM CC(C)(C)OC(=O)N1CCC(=CNc2cc(C#N)ccc2[O-])CC1 ZINC001174846758 1132486016 /nfs/dbraw/zinc/48/60/16/1132486016.db2.gz PHYNYWSVHOTJPI-UHFFFAOYSA-N -1 3 329.400 3.591 20 30 EHEDHM CCOC(=O)c1cc(C#N)c(Nc2ccc(F)c(C#N)c2)c(C)c1[O-] ZINC001176617372 1132972457 /nfs/dbraw/zinc/97/24/57/1132972457.db2.gz AXGZVUBKAZKCJU-UHFFFAOYSA-N -1 3 339.326 3.503 20 30 EHEDHM CCc1ccc([C@H](C#N)[N-]C(=O)C(F)(F)c2cccc(OC)c2)cc1 ZINC001129372271 1133023704 /nfs/dbraw/zinc/02/37/04/1133023704.db2.gz GWJDPFBIVRTBEG-KRWDZBQOSA-N -1 3 344.361 3.730 20 30 EHEDHM C#CCC1(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])CCC1 ZINC001178551368 1133180647 /nfs/dbraw/zinc/18/06/47/1133180647.db2.gz HLCIQJVBRVOYCT-UHFFFAOYSA-N -1 3 333.431 3.853 20 30 EHEDHM Cc1ccc(C(F)(F)C(=O)[N-][C@@]2(C#N)CCc3ccccc3C2)cc1 ZINC000770118635 1133389677 /nfs/dbraw/zinc/38/96/77/1133389677.db2.gz UGIUGDYHGHEZCE-IBGZPJMESA-N -1 3 340.373 3.654 20 30 EHEDHM COc1cc(/C=C2\CC(=O)Nc3ccccc3C2=O)cc(Cl)c1[O-] ZINC000774141671 1133614088 /nfs/dbraw/zinc/61/40/88/1133614088.db2.gz MDLSVNQXHWYYOW-IZZDOVSWSA-N -1 3 343.766 3.663 20 30 EHEDHM CCCCN([O-])C(=O)c1ccc(Sc2ccccc2Cl)nn1 ZINC001184314561 1133920686 /nfs/dbraw/zinc/92/06/86/1133920686.db2.gz AIOHRHJMIXPGJQ-UHFFFAOYSA-N -1 3 337.832 3.913 20 30 EHEDHM O=C(c1csc(-c2ccc(O)cc2)n1)N([O-])Cc1ccc(F)cc1 ZINC001184348072 1133930220 /nfs/dbraw/zinc/93/02/20/1133930220.db2.gz JDVHGAYCCDECST-UHFFFAOYSA-N -1 3 344.367 3.686 20 30 EHEDHM COc1cc(OC)c(NC(=O)Nc2ccc([O-])cc2C#N)cc1Cl ZINC001187406216 1134332491 /nfs/dbraw/zinc/33/24/91/1134332491.db2.gz SQRFEWUHHVCSOI-UHFFFAOYSA-N -1 3 347.758 3.578 20 30 EHEDHM N#Cc1cccc(C(F)(F)F)c1[N-]C(=O)c1nnsc1C1CC1 ZINC001188092327 1134426734 /nfs/dbraw/zinc/42/67/34/1134426734.db2.gz GPIQLXBUXQYLPU-UHFFFAOYSA-N -1 3 338.314 3.558 20 30 EHEDHM Cc1ncc(CO)c(/C=N\Cc2ccc(-c3ccco3)cc2F)c1[O-] ZINC000790599346 1134440916 /nfs/dbraw/zinc/44/09/16/1134440916.db2.gz WGGFBIOSFMLPRH-FBHDLOMBSA-N -1 3 340.354 3.606 20 30 EHEDHM N#Cc1cc(NC(=O)c2ccc(Oc3cccnc3)cc2)ccc1[O-] ZINC001188619974 1134489086 /nfs/dbraw/zinc/48/90/86/1134489086.db2.gz MYVODYLQEBNCAQ-UHFFFAOYSA-N -1 3 331.331 3.703 20 30 EHEDHM N#Cc1ccc(COC(=O)CCCc2ccc([O-])c(F)c2)cc1F ZINC000791457110 1134555184 /nfs/dbraw/zinc/55/51/84/1134555184.db2.gz AZKDWQJJEYMCRM-UHFFFAOYSA-N -1 3 331.318 3.608 20 30 EHEDHM CCCCCCCCc1nnc([N-]C(=O)c2nccc(C)n2)s1 ZINC000791498103 1134567782 /nfs/dbraw/zinc/56/77/82/1134567782.db2.gz DUMUPFWKUPEWJI-UHFFFAOYSA-N -1 3 333.461 3.792 20 30 EHEDHM N#Cc1c(Cl)c(F)cc(C(=O)Nc2ccccc2[O-])c1Cl ZINC001189845216 1134633651 /nfs/dbraw/zinc/63/36/51/1134633651.db2.gz HSFFJHLYCVEUBG-UHFFFAOYSA-N -1 3 325.126 3.962 20 30 EHEDHM N#Cc1oc2ccccc2c1NC(=O)c1ccc([O-])c(O)c1Cl ZINC001193220541 1135115588 /nfs/dbraw/zinc/11/55/88/1135115588.db2.gz VNVWLXZACLKRNK-UHFFFAOYSA-N -1 3 328.711 3.621 20 30 EHEDHM [O-]C(=NO[C@@H]1CCCCO1)Nc1ccccc1C#Cc1ccccc1 ZINC000775655681 1135428176 /nfs/dbraw/zinc/42/81/76/1135428176.db2.gz SGHOXCOQDMOUKT-LJQANCHMSA-N -1 3 336.391 3.666 20 30 EHEDHM O=C([N-]O[C@@H]1CCCCO1)Nc1ccccc1C#Cc1ccccc1 ZINC000775655681 1135428179 /nfs/dbraw/zinc/42/81/79/1135428179.db2.gz SGHOXCOQDMOUKT-LJQANCHMSA-N -1 3 336.391 3.666 20 30 EHEDHM CCOC(=O)c1cc(C#N)c(NC=Cc2ccc(C#N)cc2)c(C)c1[O-] ZINC001203306906 1135594473 /nfs/dbraw/zinc/59/44/73/1135594473.db2.gz UIOHWCIZYOUIQP-CMDGGOBGSA-N -1 3 347.374 3.703 20 30 EHEDHM Cc1cc(C(=O)N([O-])C(=N)c2ccccc2N)cc(C)c1OC(C)C ZINC001197228983 1135661974 /nfs/dbraw/zinc/66/19/74/1135661974.db2.gz ZUZMKFBFFPDXJV-UHFFFAOYSA-N -1 3 341.411 3.530 20 30 EHEDHM N#Cc1cc(NC(=O)c2c(Cl)ccnc2C(F)(F)F)ccc1[O-] ZINC001197234110 1135669329 /nfs/dbraw/zinc/66/93/29/1135669329.db2.gz ZUWVMKFADLZWCM-UHFFFAOYSA-N -1 3 341.676 3.583 20 30 EHEDHM COc1cccc2c(C(=O)OCc3ccccc3C(C)(C)C#N)n[n-]c21 ZINC000808675714 1135715265 /nfs/dbraw/zinc/71/52/65/1135715265.db2.gz QEKMYAOXBOCPQK-UHFFFAOYSA-N -1 3 349.390 3.730 20 30 EHEDHM COc1cccc2c(C(=O)OCc3ccccc3C(C)(C)C#N)[n-]nc21 ZINC000808675714 1135715270 /nfs/dbraw/zinc/71/52/70/1135715270.db2.gz QEKMYAOXBOCPQK-UHFFFAOYSA-N -1 3 349.390 3.730 20 30 EHEDHM CCOC(=O)[C@H](CCOC(C)(C)C)/N=C\c1cc(Cl)ccc1[O-] ZINC000776259053 1136108722 /nfs/dbraw/zinc/10/87/22/1136108722.db2.gz YWPHYVMPWRACLJ-KVMVOAJRSA-N -1 3 341.835 3.601 20 30 EHEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cc(SC)oc2C)cc1 ZINC000850759462 1136301406 /nfs/dbraw/zinc/30/14/06/1136301406.db2.gz JGKJQRSVFQNSDX-HNNXBMFYSA-N -1 3 342.420 3.834 20 30 EHEDHM C=CCC(F)(F)C(=O)[N-][C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000815728120 1136634320 /nfs/dbraw/zinc/63/43/20/1136634320.db2.gz STPFPJRTEAMYST-VIFPVBQESA-N -1 3 341.745 3.779 20 30 EHEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])C(F)=C1CCCC1 ZINC000815908774 1136646769 /nfs/dbraw/zinc/64/67/69/1136646769.db2.gz IVJQDYWMJGZMFG-CYBMUJFWSA-N -1 3 330.359 3.530 20 30 EHEDHM CC(=O)c1cc(F)cc(CN(C)[C@@H](C)c2cccc(C#N)c2)c1[O-] ZINC000823617334 1137106679 /nfs/dbraw/zinc/10/66/79/1137106679.db2.gz IEXIKKMQGCQRBO-LBPRGKRZSA-N -1 3 326.371 3.799 20 30 EHEDHM CC(=O)c1cc(F)cc(CN(C)[C@H](C)c2cccc(C#N)c2)c1[O-] ZINC000823617310 1137106812 /nfs/dbraw/zinc/10/68/12/1137106812.db2.gz IEXIKKMQGCQRBO-GFCCVEGCSA-N -1 3 326.371 3.799 20 30 EHEDHM C#CC[C@H]1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000862569507 1137150629 /nfs/dbraw/zinc/15/06/29/1137150629.db2.gz ATAOPJGPTKZCTA-IBGZPJMESA-N -1 3 333.431 3.663 20 30 EHEDHM Cc1cccc(CCC/N=C/c2cc(Br)ccc2[O-])n1 ZINC000794678478 1137225887 /nfs/dbraw/zinc/22/58/87/1137225887.db2.gz BRJQIDYGLHZNNU-WOJGMQOQSA-N -1 3 333.229 3.910 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1CCCC12CCCC2 ZINC000845727300 1137306980 /nfs/dbraw/zinc/30/69/80/1137306980.db2.gz FLKVPKJHOHTODO-QGZVFWFLSA-N -1 3 342.439 3.864 20 30 EHEDHM C[Si](C)(C)C#Cc1cccc(NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC001144631765 1137320937 /nfs/dbraw/zinc/32/09/37/1137320937.db2.gz ZICOIKAOWMTTBS-UHFFFAOYSA-N -1 3 341.458 3.941 20 30 EHEDHM N#Cc1cccc(C(F)(F)F)c1[N-]C(=O)c1cc(F)ncc1F ZINC001146971168 1137398295 /nfs/dbraw/zinc/39/82/95/1137398295.db2.gz KPOQDZPNPAALCH-UHFFFAOYSA-N -1 3 327.212 3.503 20 30 EHEDHM Cc1coc([N-]C(=O)c2nc(Cl)ccc2Br)c1C#N ZINC001148021782 1137416622 /nfs/dbraw/zinc/41/66/22/1137416622.db2.gz OPJSHSFEVOAXEF-UHFFFAOYSA-N -1 3 340.564 3.523 20 30 EHEDHM N#Cc1cc(NC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)ccc1[O-] ZINC001148939577 1137438399 /nfs/dbraw/zinc/43/83/99/1137438399.db2.gz AFKXKJMFCZUVQR-UHFFFAOYSA-N -1 3 340.338 3.728 20 30 EHEDHM CCn1c(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc2ccccc21 ZINC000429564464 1137919839 /nfs/dbraw/zinc/91/98/39/1137919839.db2.gz DXFSVZJMGPYRET-CQSZACIVSA-N -1 3 343.390 3.731 20 30 EHEDHM C=C[C@@](C)(CC)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000190707406 1140415854 /nfs/dbraw/zinc/41/58/54/1140415854.db2.gz HWWGSUWYNLHJQB-IBGZPJMESA-N -1 3 325.412 3.540 20 30 EHEDHM C=CCCC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735408425 598231027 /nfs/dbraw/zinc/23/10/27/598231027.db2.gz LHASSQOGFHNVGY-UHFFFAOYSA-N -1 3 335.367 3.564 20 30 EHEDHM C=CCCC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735408425 598231028 /nfs/dbraw/zinc/23/10/28/598231028.db2.gz LHASSQOGFHNVGY-UHFFFAOYSA-N -1 3 335.367 3.564 20 30 EHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)s1 ZINC000822923531 607455515 /nfs/dbraw/zinc/45/55/15/607455515.db2.gz SQPMTCTYLXCMHD-ARJAWSKDSA-N -1 3 334.763 3.617 20 30 EHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)s1 ZINC000822923531 607455516 /nfs/dbraw/zinc/45/55/16/607455516.db2.gz SQPMTCTYLXCMHD-ARJAWSKDSA-N -1 3 334.763 3.617 20 30 EHEDHM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(OC(F)F)cc1 ZINC000827716919 601299084 /nfs/dbraw/zinc/29/90/84/601299084.db2.gz BYQHMTZXRRPQSP-MEDUHNTESA-N -1 3 346.333 3.636 20 30 EHEDHM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(OC(F)F)cc1 ZINC000827716912 601299093 /nfs/dbraw/zinc/29/90/93/601299093.db2.gz BYQHMTZXRRPQSP-BDJLRTHQSA-N -1 3 346.333 3.636 20 30 EHEDHM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(F)c(Cl)c1 ZINC000827717351 601301760 /nfs/dbraw/zinc/30/17/60/601301760.db2.gz GTAYJGHKLYZIRI-QLJPJBMISA-N -1 3 332.762 3.827 20 30 EHEDHM N#Cc1cccc([C@@H](NCc2ccc(-c3cccnc3)cc2)C(=O)[O-])c1 ZINC000833076112 601307548 /nfs/dbraw/zinc/30/75/48/601307548.db2.gz QAVXTQGLJOJZSA-HXUWFJFHSA-N -1 3 343.386 3.536 20 30 EHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=CC=Cc1ccc(F)cc1 ZINC000826475623 607647224 /nfs/dbraw/zinc/64/72/24/607647224.db2.gz LRKWXYDCMRRAPL-GKBVPRJTSA-N -1 3 346.365 3.775 20 30 EHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=CC=Cc1ccc(F)cc1 ZINC000826475623 607647225 /nfs/dbraw/zinc/64/72/25/607647225.db2.gz LRKWXYDCMRRAPL-GKBVPRJTSA-N -1 3 346.365 3.775 20 30 EHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc2ccccc2c1 ZINC000822922083 606387976 /nfs/dbraw/zinc/38/79/76/606387976.db2.gz CLBBDTRJCQVZLO-VQHVLOKHSA-N -1 3 332.388 3.978 20 30 EHEDHM C[C@@H]1Sc2sccc2C(=O)C1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822000723 606392242 /nfs/dbraw/zinc/39/22/42/606392242.db2.gz VEFGTIMOXIVJLL-LOBLAWFCSA-N -1 3 346.462 3.750 20 30 EHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc2cc(O)ccc2c1 ZINC000822923823 606393063 /nfs/dbraw/zinc/39/30/63/606393063.db2.gz VJTCGCNBNAVHSN-WAYWQWQTSA-N -1 3 348.387 3.683 20 30 EHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc2cc(O)ccc2c1 ZINC000822923823 606393065 /nfs/dbraw/zinc/39/30/65/606393065.db2.gz VJTCGCNBNAVHSN-WAYWQWQTSA-N -1 3 348.387 3.683 20 30 EHEDHM N#Cc1cc(Cl)ccc1SCc1ccc(-c2nnn[n-]2)cc1F ZINC000822818623 606629597 /nfs/dbraw/zinc/62/95/97/606629597.db2.gz DPQGAWQYEXDBQB-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM N#Cc1cc(Cl)ccc1SCc1ccc(-c2nn[n-]n2)cc1F ZINC000822818623 606629599 /nfs/dbraw/zinc/62/95/99/606629599.db2.gz DPQGAWQYEXDBQB-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM Clc1cccc(Cl)c1NN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822585753 606837897 /nfs/dbraw/zinc/83/78/97/606837897.db2.gz MQAPBSXPPJDFPC-UHFFFAOYSA-N -1 3 339.211 3.681 20 30 EHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cc2c(s1)CCCC2 ZINC000822923770 606978114 /nfs/dbraw/zinc/97/81/14/606978114.db2.gz UDHKGRSKJGNFCJ-AATRIKPKSA-N -1 3 342.449 3.765 20 30 EHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cc2c(s1)CCCC2 ZINC000822923770 606978116 /nfs/dbraw/zinc/97/81/16/606978116.db2.gz UDHKGRSKJGNFCJ-AATRIKPKSA-N -1 3 342.449 3.765 20 30 EHEDHM Clc1cccc(C2CC(N=Nc3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826353333 607816597 /nfs/dbraw/zinc/81/65/97/607816597.db2.gz LBPWZOGMLMSVDP-UHFFFAOYSA-N -1 3 338.802 3.866 20 30 EHEDHM Clc1cccc(C2CC(N=Nc3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC000826353333 607816598 /nfs/dbraw/zinc/81/65/98/607816598.db2.gz LBPWZOGMLMSVDP-UHFFFAOYSA-N -1 3 338.802 3.866 20 30 EHEDHM Cc1[nH]c2ccccc2c1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826233646 607884364 /nfs/dbraw/zinc/88/43/64/607884364.db2.gz PYGKQBQHOMYVGY-KHPPLWFESA-N -1 3 329.363 3.553 20 30 EHEDHM Cc1[nH]c2ccccc2c1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826233646 607884365 /nfs/dbraw/zinc/88/43/65/607884365.db2.gz PYGKQBQHOMYVGY-KHPPLWFESA-N -1 3 329.363 3.553 20 30 EHEDHM CCCCCCCCC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000825272095 607946869 /nfs/dbraw/zinc/94/68/69/607946869.db2.gz UIKQJSZOUKFHNW-UHFFFAOYSA-N -1 3 327.432 3.506 20 30 EHEDHM CCCCCCCCC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000825272095 607946870 /nfs/dbraw/zinc/94/68/70/607946870.db2.gz UIKQJSZOUKFHNW-UHFFFAOYSA-N -1 3 327.432 3.506 20 30 EHEDHM C[C@H](CCN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccccc1 ZINC000824400350 608540687 /nfs/dbraw/zinc/54/06/87/608540687.db2.gz FSVJCLOSDXREBI-LLVKDONJSA-N -1 3 341.806 3.507 20 30 EHEDHM C[C@H](CCN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccccc1 ZINC000824400350 608540688 /nfs/dbraw/zinc/54/06/88/608540688.db2.gz FSVJCLOSDXREBI-LLVKDONJSA-N -1 3 341.806 3.507 20 30 EHEDHM O=C(C=Cc1ccc(F)c(Cl)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826401081 609134367 /nfs/dbraw/zinc/13/43/67/609134367.db2.gz OZPBEKCWTCXNGW-QHHAFSJGSA-N -1 3 346.724 3.694 20 30 EHEDHM O=C(C=Cc1ccc(F)c(Cl)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826401081 609134368 /nfs/dbraw/zinc/13/43/68/609134368.db2.gz OZPBEKCWTCXNGW-QHHAFSJGSA-N -1 3 346.724 3.694 20 30 EHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(F)cc1F ZINC000823958812 609470810 /nfs/dbraw/zinc/47/08/10/609470810.db2.gz XVTHLGSJKIHSBW-UHFFFAOYSA-N -1 3 348.744 3.634 20 30 EHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(F)cc1F ZINC000823958812 609470812 /nfs/dbraw/zinc/47/08/12/609470812.db2.gz XVTHLGSJKIHSBW-UHFFFAOYSA-N -1 3 348.744 3.634 20 30 EHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000823958628 609471063 /nfs/dbraw/zinc/47/10/63/609471063.db2.gz TYYXJFRXPKWZDB-UHFFFAOYSA-N -1 3 348.744 3.634 20 30 EHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(F)c(F)c1 ZINC000823958628 609471066 /nfs/dbraw/zinc/47/10/66/609471066.db2.gz TYYXJFRXPKWZDB-UHFFFAOYSA-N -1 3 348.744 3.634 20 30 EHEDHM N#CCc1ccc(CSc2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826382829 609490982 /nfs/dbraw/zinc/49/09/82/609490982.db2.gz XAZSTTOGKOERDA-UHFFFAOYSA-N -1 3 341.827 3.878 20 30 EHEDHM N#CCc1ccc(CSc2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826382829 609490984 /nfs/dbraw/zinc/49/09/84/609490984.db2.gz XAZSTTOGKOERDA-UHFFFAOYSA-N -1 3 341.827 3.878 20 30 EHEDHM Cc1cc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc(C)c1F ZINC000822160441 945965765 /nfs/dbraw/zinc/96/57/65/945965765.db2.gz HPNIBIZPFVTUSQ-ONEGZZNKSA-N -1 3 328.372 3.580 20 30 EHEDHM Cc1cc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc(C)c1F ZINC000822160441 945965772 /nfs/dbraw/zinc/96/57/72/945965772.db2.gz HPNIBIZPFVTUSQ-ONEGZZNKSA-N -1 3 328.372 3.580 20 30 EHEDHM C=C(C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)[C@H](C)[C@@H](C)CC2 ZINC001573293925 946971656 /nfs/dbraw/zinc/97/16/56/946971656.db2.gz OHAAVSSEMNAQFH-WDEREUQCSA-N -1 3 345.472 3.909 20 30 EHEDHM C=C(C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)[C@H](C)[C@@H](C)CC2 ZINC001573293925 946971664 /nfs/dbraw/zinc/97/16/64/946971664.db2.gz OHAAVSSEMNAQFH-WDEREUQCSA-N -1 3 345.472 3.909 20 30 EHEDHM C=CCN(CC1CCCCC1)c1cc(C)cc(F)c1-c1nnn[n-]1 ZINC001573341069 947523272 /nfs/dbraw/zinc/52/32/72/947523272.db2.gz GIBJRHJBEUJFAO-UHFFFAOYSA-N -1 3 329.423 3.887 20 30 EHEDHM C=CCN(CC1CCCCC1)c1cc(C)cc(F)c1-c1nn[n-]n1 ZINC001573341069 947523282 /nfs/dbraw/zinc/52/32/82/947523282.db2.gz GIBJRHJBEUJFAO-UHFFFAOYSA-N -1 3 329.423 3.887 20 30 EHEDHM C=CCn1c(C)cc(C(=O)COC(=O)c2cc3ccsc3[n-]2)c1C ZINC000023346081 1014137086 /nfs/dbraw/zinc/13/70/86/1014137086.db2.gz AYOWXQOGPGFWIV-UHFFFAOYSA-N -1 3 342.420 3.873 20 30 EHEDHM C[C@H](CC#N)Sc1ccccc1NC([O-])=NO[C@H]1CCCCO1 ZINC000274750465 1014815041 /nfs/dbraw/zinc/81/50/41/1014815041.db2.gz AQFWQDNJZHGABQ-DOMZBBRYSA-N -1 3 335.429 3.661 20 30 EHEDHM C[C@H](CC#N)Sc1ccccc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000274750465 1014815051 /nfs/dbraw/zinc/81/50/51/1014815051.db2.gz AQFWQDNJZHGABQ-DOMZBBRYSA-N -1 3 335.429 3.661 20 30 EHEDHM C=C(C)[C@@H](NCCOc1cccc(C(=O)[O-])c1)c1ccc(F)c(F)c1 ZINC001588536209 983592833 /nfs/dbraw/zinc/59/28/33/983592833.db2.gz WAKGLUQYAUSLOM-GOSISDBHSA-N -1 3 347.361 3.949 20 30 EHEDHM CCc1cc(=O)[n-]c(-c2cccc(N=Cc3cc(OC)ccc3O)c2)n1 ZINC000254981831 1015336145 /nfs/dbraw/zinc/33/61/45/1015336145.db2.gz HTIPLAPZYFGZCY-UHFFFAOYSA-N -1 3 349.390 3.876 20 30 EHEDHM N#Cc1cc([N-]C(=O)c2cc3ncccc3o2)c(Cl)c([N+](=O)[O-])c1 ZINC001266467306 1016864466 /nfs/dbraw/zinc/86/44/66/1016864466.db2.gz MRFAHNSZNFLMNC-UHFFFAOYSA-N -1 3 342.698 3.513 20 30 EHEDHM N#CC(=C([O-])c1ccc2c(c1)CCO2)c1nc2cc(F)ccc2s1 ZINC000592973828 1032619530 /nfs/dbraw/zinc/61/95/30/1032619530.db2.gz ISVBBAZILILMRI-ZDUSSCGKSA-N -1 3 338.363 3.860 20 30 EHEDHM CCc1ccc([O-])c(C(=O)N2CCC(Nc3ccccc3C#N)CC2)c1 ZINC000602191885 1032688787 /nfs/dbraw/zinc/68/87/87/1032688787.db2.gz PLVWVDYEHOBIBQ-UHFFFAOYSA-N -1 3 349.434 3.543 20 30 EHEDHM CCCCCCCS(=O)(=O)[N-][C@@H](c1nc(C2CC2)no1)C(C)C ZINC000799768679 1018002149 /nfs/dbraw/zinc/00/21/49/1018002149.db2.gz OSGAOAJORSIYNX-CQSZACIVSA-N -1 3 343.493 3.534 20 30 EHEDHM CCS(=O)(=O)Nc1ccc(N=Cc2cc(Cl)ccc2[O-])cc1 ZINC000255166437 1018505863 /nfs/dbraw/zinc/50/58/63/1018505863.db2.gz VWRLCHWIUMJARK-UHFFFAOYSA-N -1 3 338.816 3.558 20 30 EHEDHM CN(C)c1ccc(C(F)(F)F)cc1N=Cc1ccc(O)c([O-])c1O ZINC000255170980 1018670025 /nfs/dbraw/zinc/67/00/25/1018670025.db2.gz PVTKIOQQUMWTSB-UHFFFAOYSA-N -1 3 340.301 3.639 20 30 EHEDHM N#CC(=C([O-])c1cc(F)cc2nccnc21)c1ccc2ccccc2n1 ZINC000614467906 1019336542 /nfs/dbraw/zinc/33/65/42/1019336542.db2.gz GNCLTWFSFINBDT-OAHLLOKOSA-N -1 3 342.333 3.807 20 30 EHEDHM N#Cc1c([N-]C(=O)c2csc(C(F)(F)F)n2)sc2c1CCC2 ZINC000340720628 1019600491 /nfs/dbraw/zinc/60/04/91/1019600491.db2.gz JJBKBPPJLVKELS-UHFFFAOYSA-N -1 3 343.355 3.836 20 30 EHEDHM Cc1cc(C([O-])=C(C#N)c2ccncn2)c(C)n1[C@@H](C)c1ccccc1 ZINC000760355111 1032886514 /nfs/dbraw/zinc/88/65/14/1032886514.db2.gz AIVHWULAAZGIJF-HNAYVOBHSA-N -1 3 344.418 3.994 20 30 EHEDHM N#Cc1cccc(OCCCSCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000419428587 1020643896 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C=C(Cl)CSc1nc(-c2ccccc2)ccc1-c1nnn[n-]1 ZINC000735401953 598900347 /nfs/dbraw/zinc/90/03/47/598900347.db2.gz BEKBJXIRFJZWKY-UHFFFAOYSA-N -1 3 329.816 3.773 20 30 EHEDHM C=C(Cl)CSc1nc(-c2ccccc2)ccc1-c1nn[n-]n1 ZINC000735401953 598900349 /nfs/dbraw/zinc/90/03/49/598900349.db2.gz BEKBJXIRFJZWKY-UHFFFAOYSA-N -1 3 329.816 3.773 20 30 EHEDHM Cc1cc(C)cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1 ZINC000822196598 599116305 /nfs/dbraw/zinc/11/63/05/599116305.db2.gz PMPCUMOVWSBIIW-MHWRWJLKSA-N -1 3 330.391 3.696 20 30 EHEDHM Cc1cc(C)cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1 ZINC000822196598 599116307 /nfs/dbraw/zinc/11/63/07/599116307.db2.gz PMPCUMOVWSBIIW-MHWRWJLKSA-N -1 3 330.391 3.696 20 30 EHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccc(Cl)cc1 ZINC000823503075 599116917 /nfs/dbraw/zinc/11/69/17/599116917.db2.gz AUDZPMIAWXDXNA-UKTHLTGXSA-N -1 3 336.782 3.733 20 30 EHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccc(Cl)cc1 ZINC000823503075 599116920 /nfs/dbraw/zinc/11/69/20/599116920.db2.gz 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599462403 /nfs/dbraw/zinc/46/24/03/599462403.db2.gz YYHOCFWTTDFVJM-BQYQJAHWSA-N -1 3 339.424 3.517 20 30 EHEDHM CC(C)Oc1cccc([C@H](C)N[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000827058350 601300483 /nfs/dbraw/zinc/30/04/83/601300483.db2.gz CLNJCUAOSSVLGV-IFXJQAMLSA-N -1 3 338.407 3.822 20 30 EHEDHM C[C@@H](C(=O)[O-])[C@@H](NCC#Cc1ccc(Cl)cc1)c1ccccc1 ZINC000826045789 601654133 /nfs/dbraw/zinc/65/41/33/601654133.db2.gz ZDWNJUZRRPFJAM-RDTXWAMCSA-N -1 3 327.811 3.743 20 30 EHEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=CC=Cc1ccc(F)cc1 ZINC000826475622 607646858 /nfs/dbraw/zinc/64/68/58/607646858.db2.gz LRKWXYDCMRRAPL-AKBHDUHVSA-N -1 3 346.365 3.775 20 30 EHEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=CC=Cc1ccc(F)cc1 ZINC000826475622 607646860 /nfs/dbraw/zinc/64/68/60/607646860.db2.gz LRKWXYDCMRRAPL-AKBHDUHVSA-N -1 3 346.365 3.775 20 30 EHEDHM N#CCC[C@@H](Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000826381375 607679178 /nfs/dbraw/zinc/67/91/78/607679178.db2.gz JGLOKMDJLPUXTR-MRXNPFEDSA-N -1 3 338.802 3.977 20 30 EHEDHM N#CCC[C@@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000826381375 607679179 /nfs/dbraw/zinc/67/91/79/607679179.db2.gz JGLOKMDJLPUXTR-MRXNPFEDSA-N -1 3 338.802 3.977 20 30 EHEDHM O=C(C=Cc1ccc(F)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000822930358 607123031 /nfs/dbraw/zinc/12/30/31/607123031.db2.gz ZHQAIXBPGINOSV-FNORWQNLSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1ccc(F)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000822930358 607123032 /nfs/dbraw/zinc/12/30/32/607123032.db2.gz ZHQAIXBPGINOSV-FNORWQNLSA-N -1 3 328.734 3.555 20 30 EHEDHM COc1ccc2oc(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3)cc2c1 ZINC000826213924 608109713 /nfs/dbraw/zinc/10/97/13/608109713.db2.gz SCJRNIKBIARTRT-SOFGYWHQSA-N -1 3 346.346 3.518 20 30 EHEDHM COc1ccc2oc(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3)cc2c1 ZINC000826213924 608109714 /nfs/dbraw/zinc/10/97/14/608109714.db2.gz SCJRNIKBIARTRT-SOFGYWHQSA-N -1 3 346.346 3.518 20 30 EHEDHM Cc1c2ccccc2oc1C(=O)C=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826234483 608876869 /nfs/dbraw/zinc/87/68/69/608876869.db2.gz 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Cc1nocc1C(=O)[N-]c1sc2c(c1C#N)-c1ccccc1CC2 ZINC001125281923 1014561411 /nfs/dbraw/zinc/56/14/11/1014561411.db2.gz VDCVOUWMZNSFMA-UHFFFAOYSA-N -1 3 335.388 3.934 20 30 EHEDHM C#C[C@H](NCc1ccccc1OCc1ccc(C(=O)[O-])cc1)C(C)C ZINC001588377199 983355829 /nfs/dbraw/zinc/35/58/29/983355829.db2.gz JSBOAGJVTGEJAW-IBGZPJMESA-N -1 3 337.419 3.711 20 30 EHEDHM CC[C@@H]1c2ccccc2CN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000890609986 1015263782 /nfs/dbraw/zinc/26/37/82/1015263782.db2.gz OEWISKNTWXEULA-LJQANCHMSA-N -1 3 349.434 3.702 20 30 EHEDHM CC(C)(C)c1cnc(C(C#N)C(=O)c2cccc(CC(=O)[O-])c2)s1 ZINC001590515527 990127326 /nfs/dbraw/zinc/12/73/26/990127326.db2.gz PQHVCBJKMFTTRD-ZDUSSCGKSA-N -1 3 342.420 3.558 20 30 EHEDHM CN(Cc1cccc(C#N)c1)[C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC001598525442 992713973 /nfs/dbraw/zinc/71/39/73/992713973.db2.gz JPEDTVQSONEVHP-INIZCTEOSA-N -1 3 348.324 3.835 20 30 EHEDHM C=CCN(Cc1ccccc1)c1nc(SC)nc(Cl)c1/C=N/[O-] ZINC001167125995 1016207198 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CC(=O)c1ncc(C(=O)[N-]c2ccccc2SC[C@H](C)C#N)s1 ZINC000413408321 1020033389 /nfs/dbraw/zinc/03/33/89/1020033389.db2.gz OPDHQPMOWFKKJK-SNVBAGLBSA-N -1 3 345.449 3.850 20 30 EHEDHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000183090766 1020040019 /nfs/dbraw/zinc/04/00/19/1020040019.db2.gz KFOFKPRZOTTZHU-UHFFFAOYSA-N -1 3 341.219 3.974 20 30 EHEDHM CC(C)(C)c1nc2cc(N=Cc3ccc(O)c([O-])c3O)ccc2o1 ZINC000255301624 1020883835 /nfs/dbraw/zinc/88/38/35/1020883835.db2.gz CNMJACLDMRFKFQ-UHFFFAOYSA-N -1 3 326.352 3.993 20 30 EHEDHM CCc1ccc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c([O-])c1 ZINC000436835849 1021268877 /nfs/dbraw/zinc/26/88/77/1021268877.db2.gz XKMLWGAOTNQINH-RBUKOAKNSA-N -1 3 334.419 3.867 20 30 EHEDHM C=CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(O)cc2)cc1Cl ZINC000426769533 1023032026 /nfs/dbraw/zinc/03/20/26/1023032026.db2.gz JRJSCXJSHQBDRB-QGZVFWFLSA-N -1 3 347.798 3.526 20 30 EHEDHM N#Cc1c([N-]C(=O)c2ccnc(F)c2F)sc2c1CCCCC2 ZINC000187650418 1023152257 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C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000443413576 1026013657 /nfs/dbraw/zinc/01/36/57/1026013657.db2.gz ANSKNHCTLJBOOH-UHFFFAOYSA-N -1 3 330.453 3.672 20 30 EHEDHM N#CC(=C([O-])c1ccc(C2CC2)cn1)c1ccc(C(F)(F)F)cn1 ZINC000531783406 1027373437 /nfs/dbraw/zinc/37/34/37/1027373437.db2.gz OYKCKKBAIJPECO-ZDUSSCGKSA-N -1 3 331.297 3.863 20 30 EHEDHM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3ccco3)cc2F)c1 ZINC000447275795 1030060182 /nfs/dbraw/zinc/06/01/82/1030060182.db2.gz XRJOEPHRLPURMC-UHFFFAOYSA-N -1 3 342.351 3.758 20 30 EHEDHM Cc1csc(-c2ccc(N=Cc3ccc(O)c([O-])c3O)cc2)n1 ZINC000255660669 1034053834 /nfs/dbraw/zinc/05/38/34/1034053834.db2.gz UYFLLGCNUYKFCB-UHFFFAOYSA-N -1 3 326.377 3.986 20 30 EHEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccc3[nH][n-]c(=O)c3c2)cc1 ZINC000597185005 1034589019 /nfs/dbraw/zinc/58/90/19/1034589019.db2.gz RMZBVCAOSGNRJE-QGZVFWFLSA-N -1 3 348.406 3.561 20 30 EHEDHM CN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])[C@@H]1CCC[C@@H]1C#N ZINC000601809530 1034760176 /nfs/dbraw/zinc/76/01/76/1034760176.db2.gz FRFVJGRKIAPGJK-IEBWSBKVSA-N -1 3 334.419 3.747 20 30 EHEDHM COc1ccc(Cl)cc1-c1cc(=NC(=O)CCCCCC#N)[nH][n-]1 ZINC000588338052 1035916707 /nfs/dbraw/zinc/91/67/07/1035916707.db2.gz GCIXCGSGPAUQLB-UHFFFAOYSA-N -1 3 346.818 3.573 20 30 EHEDHM Cc1csc(C(C#N)=C([O-])c2cc(C)n(C3CCOCC3)c2C)n1 ZINC000659010764 1036762134 /nfs/dbraw/zinc/76/21/34/1036762134.db2.gz ZKDJWGCSIJAMPL-INIZCTEOSA-N -1 3 343.452 3.711 20 30 EHEDHM C=CCOc1cccnc1C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000539327484 1038796746 /nfs/dbraw/zinc/79/67/46/1038796746.db2.gz YWUCKFZQKOGMAR-UHFFFAOYSA-N -1 3 338.285 3.623 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1cccc(C(F)F)c1 ZINC000906259562 1039442110 /nfs/dbraw/zinc/44/21/10/1039442110.db2.gz IVZWVMBCAQPDMP-UHFFFAOYSA-N -1 3 346.333 3.752 20 30 EHEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cnc(-c2ccccc2)s1 ZINC000128224420 1039768374 /nfs/dbraw/zinc/76/83/74/1039768374.db2.gz BOVZJDKGDJPJES-OAHLLOKOSA-N -1 3 347.399 3.771 20 30 EHEDHM CC(C)[C@@H](CC(F)(F)F)[N-]C(=O)C(F)(F)c1ccccc1C#N ZINC000907616322 1040115592 /nfs/dbraw/zinc/11/55/92/1040115592.db2.gz YJFOZBVSBFHBOJ-GFCCVEGCSA-N -1 3 334.288 3.743 20 30 EHEDHM Cc1ncc(CO)c(C=Nc2cccc(COC(C)(C)C)c2)c1[O-] ZINC000899227695 1040189843 /nfs/dbraw/zinc/18/98/43/1040189843.db2.gz QEJCRXGABNUJEV-UHFFFAOYSA-N -1 3 328.412 3.654 20 30 EHEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000899225484 1040201802 /nfs/dbraw/zinc/20/18/02/1040201802.db2.gz VUCKVXIHOVNQLH-ZBEGNZNMSA-N -1 3 346.377 3.671 20 30 EHEDHM Cn1c(C(C#N)=C([O-])c2ccc(OC(C)(C)C)cn2)nc2ccccc21 ZINC000344633416 1044223974 /nfs/dbraw/zinc/22/39/74/1044223974.db2.gz JXVLVFMRQDITSW-AWEZNQCLSA-N -1 3 348.406 3.636 20 30 EHEDHM CCc1cnccc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000183504080 1125578105 /nfs/dbraw/zinc/57/81/05/1125578105.db2.gz LRIRGRMYNXPCBJ-ZDUSSCGKSA-N -1 3 340.333 3.879 20 30 EHEDHM N#Cc1cc([N-]C(=O)c2csc(C3CC3)n2)c(Cl)c([N+](=O)[O-])c1 ZINC000764303304 1127475286 /nfs/dbraw/zinc/47/52/86/1127475286.db2.gz ZVDXEGFKDOHNDS-UHFFFAOYSA-N -1 3 348.771 3.706 20 30 EHEDHM CC(=O)c1csc(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)c1 ZINC000764300737 1127477125 /nfs/dbraw/zinc/47/71/25/1127477125.db2.gz BVHLPCOCIYFSEH-UHFFFAOYSA-N -1 3 349.755 3.636 20 30 EHEDHM CCC(N=Nc1oc(C(C)(C)C)nc1C#N)c1ccc([O-])c(F)c1 ZINC000764682056 1127522953 /nfs/dbraw/zinc/52/29/53/1127522953.db2.gz POBSPRUCODAVMP-UHFFFAOYSA-N -1 3 330.363 3.915 20 30 EHEDHM C[C@@H](CCc1cccn1C)/N=C\c1cc(Br)ccc1[O-] ZINC000741844268 1127564636 /nfs/dbraw/zinc/56/46/36/1127564636.db2.gz OMWBSVVURGYNSX-SJWFJVLYSA-N -1 3 335.245 3.933 20 30 EHEDHM COc1cccc(CCC(=O)N([O-])Cc2ccccc2Cl)c1OC ZINC001649041283 1127799945 /nfs/dbraw/zinc/79/99/45/1127799945.db2.gz PVGCUXLNGPNVQJ-UHFFFAOYSA-N -1 3 349.814 3.708 20 30 EHEDHM CCc1ccccc1OCC(=O)N([O-])CCCCc1ccccc1 ZINC001649046273 1127994730 /nfs/dbraw/zinc/99/47/30/1127994730.db2.gz QGWZLHZIZDNSST-UHFFFAOYSA-N -1 3 327.424 3.869 20 30 EHEDHM CC(C)(C)n1nc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1C1CC1 ZINC000076462309 1128921826 /nfs/dbraw/zinc/92/18/26/1128921826.db2.gz CSCUVDXFWIHLPC-UHFFFAOYSA-N -1 3 340.387 3.530 20 30 EHEDHM COc1cc(C([O-])=C(C#N)c2nc(C)cs2)ccc1OCC(C)C ZINC000193271925 1120768246 /nfs/dbraw/zinc/76/82/46/1120768246.db2.gz ATVPPMXJADJCEO-CQSZACIVSA-N -1 3 344.436 3.985 20 30 EHEDHM Cc1ncc(CO)c(C=NN(c2ccccc2)c2ccccc2)c1[O-] ZINC000916249579 1122109851 /nfs/dbraw/zinc/10/98/51/1122109851.db2.gz ADCIEZPBEOWSAN-UHFFFAOYSA-N -1 3 333.391 3.760 20 30 EHEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cc(F)cc(F)c1 ZINC000916904524 1122391329 /nfs/dbraw/zinc/39/13/29/1122391329.db2.gz AJKXIJGGUCYGET-LBPRGKRZSA-N -1 3 334.709 3.579 20 30 EHEDHM CCOC(=O)[C@@H](Cc1ccccc1)/N=C/c1cc(Cl)ccc1[O-] ZINC000920174780 1123331854 /nfs/dbraw/zinc/33/18/54/1123331854.db2.gz QEBNFQSSEXARKT-DDLUMYACSA-N -1 3 331.799 3.639 20 30 EHEDHM COc1ccccc1-c1nc(C([O-])=C(C#N)c2ccccn2)cs1 ZINC000057741329 1129914453 /nfs/dbraw/zinc/91/44/53/1129914453.db2.gz QELLMGRVUJMHSN-ZDUSSCGKSA-N -1 3 335.388 3.704 20 30 EHEDHM Cc1ccccc1[C@H](O)C/N=C\c1cc(Br)ccc1[O-] ZINC000732714249 1130947972 /nfs/dbraw/zinc/94/79/72/1130947972.db2.gz UTGVXJGXLCUASJ-BZMUBCNJSA-N -1 3 334.213 3.616 20 30 EHEDHM N#Cc1ccc(F)c(CNCc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000742381742 1131713051 /nfs/dbraw/zinc/71/30/51/1131713051.db2.gz GZZLHEXJCILZMH-UHFFFAOYSA-N -1 3 325.170 4.000 20 30 EHEDHM CO[C@]1(C)C[C@@H](/N=C\c2cc(Br)ccc2[O-])C1(C)C ZINC000745976162 1132341894 /nfs/dbraw/zinc/34/18/94/1132341894.db2.gz GWSTWOOMBOLSQJ-FKPVXGFXSA-N -1 3 326.234 3.777 20 30 EHEDHM N#Cc1ccc(C(F)(F)F)c(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001175432815 1132667810 /nfs/dbraw/zinc/66/78/10/1132667810.db2.gz KOTTVUDJWLPSQN-UHFFFAOYSA-N -1 3 330.273 3.501 20 30 EHEDHM N#Cc1c(Cl)c(Cl)ccc1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001175432548 1132668133 /nfs/dbraw/zinc/66/81/33/1132668133.db2.gz HOTOSSGEKBOQSQ-UHFFFAOYSA-N -1 3 331.166 3.789 20 30 EHEDHM Cc1nc(C([O-])=C(C#N)C(=O)Nc2cccc3ccccc32)sc1C ZINC000774056793 1133596792 /nfs/dbraw/zinc/59/67/92/1133596792.db2.gz YVQKOAXLMOEACO-OAHLLOKOSA-N -1 3 349.415 3.874 20 30 EHEDHM CCCCCCN([O-])C(=O)[C@H](c1ccccc1)N1CCCCC1=O ZINC001184305343 1133918885 /nfs/dbraw/zinc/91/88/85/1133918885.db2.gz HDGNHIWBZBBRKI-SFHVURJKSA-N -1 3 332.444 3.538 20 30 EHEDHM Cc1cc(Br)cc(C)c1NC(=O)[N-]c1oncc1C#N ZINC001184848959 1133992572 /nfs/dbraw/zinc/99/25/72/1133992572.db2.gz MFLQLRNYXINBMD-UHFFFAOYSA-N -1 3 335.161 3.570 20 30 EHEDHM Cc1ccc(C[N-]S(=O)(=O)c2c(C#N)sc3ccccc32)s1 ZINC001185506365 1134100105 /nfs/dbraw/zinc/10/01/05/1134100105.db2.gz HGYRGVDVSXFNSZ-UHFFFAOYSA-N -1 3 348.474 3.621 20 30 EHEDHM CCCCCCCCS(=O)(=O)[N-]c1ccc(C(=O)OC)cc1F ZINC001188013422 1134416024 /nfs/dbraw/zinc/41/60/24/1134416024.db2.gz XOGOXEYMVDJHRV-UHFFFAOYSA-N -1 3 345.436 3.715 20 30 EHEDHM Cc1ncc(CO)c(/C=N/Cc2ccc(-c3ccco3)cc2F)c1[O-] ZINC000790599347 1134440722 /nfs/dbraw/zinc/44/07/22/1134440722.db2.gz WGGFBIOSFMLPRH-UFFVCSGVSA-N -1 3 340.354 3.606 20 30 EHEDHM N#Cc1cc(F)c([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1F ZINC001190501096 1134707206 /nfs/dbraw/zinc/70/72/06/1134707206.db2.gz WHKHPLHTPZCNFQ-UHFFFAOYSA-N -1 3 334.347 3.515 20 30 EHEDHM COc1ccccc1-c1cccc(C(=O)Nc2ccc([O-])c(C#N)c2)n1 ZINC001192316664 1134998066 /nfs/dbraw/zinc/99/80/66/1134998066.db2.gz OCZDIXROVKWNEP-UHFFFAOYSA-N -1 3 345.358 3.587 20 30 EHEDHM Cc1ccc([C@@H]([N-]C(=O)c2c(F)cc(C#N)cc2F)C(F)(F)F)o1 ZINC001130466955 1135362050 /nfs/dbraw/zinc/36/20/50/1135362050.db2.gz RVINTKBJENYNEE-CYBMUJFWSA-N -1 3 344.239 3.771 20 30 EHEDHM N#Cc1cc(NC(=O)c2cc(F)c(OC3CCC3)c(F)c2)ccc1[O-] ZINC001196596443 1135582179 /nfs/dbraw/zinc/58/21/79/1135582179.db2.gz QPAYLZILXXOWOT-UHFFFAOYSA-N -1 3 344.317 3.726 20 30 EHEDHM [O-]c1ccc(Br)cc1/C=N/C[C@@H]1COc2ccccc21 ZINC000809144371 1135790142 /nfs/dbraw/zinc/79/01/42/1135790142.db2.gz LNSOFIMASNGTFX-VGTRTNLYSA-N -1 3 332.197 3.750 20 30 EHEDHM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc([O-])ccc2Cl)c1 ZINC000810403929 1135963437 /nfs/dbraw/zinc/96/34/37/1135963437.db2.gz YBWYTABZSNYOEJ-AWEZNQCLSA-N -1 3 344.798 3.657 20 30 EHEDHM CCCCCCCCCCS(=O)(=O)[N-]c1c(C)ncnc1C ZINC001201834801 1136068870 /nfs/dbraw/zinc/06/88/70/1136068870.db2.gz WAMRVNKNXBOXJO-UHFFFAOYSA-N -1 3 327.494 3.976 20 30 EHEDHM N#C[C@H](OC(=O)c1cccc(Br)c1[O-])C1CCCCC1 ZINC000776388350 1136174420 /nfs/dbraw/zinc/17/44/20/1136174420.db2.gz VJLXPGQKQCJNIN-ZDUSSCGKSA-N -1 3 338.201 3.784 20 30 EHEDHM C=CCC(F)(F)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000815038539 1136543603 /nfs/dbraw/zinc/54/36/03/1136543603.db2.gz KNSNQMGSSTVJHY-UHFFFAOYSA-N -1 3 333.338 3.562 20 30 EHEDHM C=CCC(F)(F)C(=O)[N-][C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000815651817 1136626941 /nfs/dbraw/zinc/62/69/41/1136626941.db2.gz FBZGUCOWYCISOG-GFCCVEGCSA-N -1 3 337.288 3.721 20 30 EHEDHM COCCCC[C@H](/N=C\c1c([O-])c(C)ncc1CO)c1ccccc1 ZINC000794831397 1137268230 /nfs/dbraw/zinc/26/82/30/1137268230.db2.gz AFPVGEANJZUOKK-CVHFWEDTSA-N -1 3 342.439 3.565 20 30 EHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000845843956 1137312125 /nfs/dbraw/zinc/31/21/25/1137312125.db2.gz OABWVOHSUSBVPL-BPLDGKMQSA-N -1 3 349.352 3.975 20 30 EHEDHM O=C(CC(F)(F)C(F)(F)F)[N-][C@@H](C1CCCC1)C(F)(F)F ZINC000866430044 1137354327 /nfs/dbraw/zinc/35/43/27/1137354327.db2.gz LYCSBRLRKBAPLQ-QMMMGPOBSA-N -1 3 327.215 3.811 20 30 EHEDHM C=C[C@H](C)O[N-]C(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000846542756 1137354754 /nfs/dbraw/zinc/35/47/54/1137354754.db2.gz BPWSCRIMLXHQJP-IHRRRGAJSA-N -1 3 328.437 3.968 20 30 EHEDHM C=C[C@H](C)O[N-]C(=O)C[C@H](C)c1ccc(F)c(Br)c1 ZINC000846552513 1137355411 /nfs/dbraw/zinc/35/54/11/1137355411.db2.gz JGTXDTCIBQJDRG-UWVGGRQHSA-N -1 3 330.197 3.704 20 30 EHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)CC2=CCCCC2)c(C)c1[O-] ZINC001146738395 1137393155 /nfs/dbraw/zinc/39/31/55/1137393155.db2.gz AUHANUOKBOHIKW-UHFFFAOYSA-N -1 3 342.395 3.578 20 30 EHEDHM Cc1c(C)c(OCc2ccccc2)ccc1N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001171369260 1137458740 /nfs/dbraw/zinc/45/87/40/1137458740.db2.gz RIJDWJWPLLUGDK-DJJJIMSYSA-N -1 3 340.423 3.530 20 30 EHEDHM C=CC1CCN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CC1 ZINC000348387707 1138088828 /nfs/dbraw/zinc/08/88/28/1138088828.db2.gz ZAAUJUOVWQJTRT-UHFFFAOYSA-N -1 3 338.411 3.588 20 30 EHEDHM N#Cc1ccc(C2CCN(C(=O)c3cc([O-])ccc3Cl)CC2)cc1 ZINC000887702008 1138690573 /nfs/dbraw/zinc/69/05/73/1138690573.db2.gz SPVQFJNSNCIPJW-UHFFFAOYSA-N -1 3 340.810 3.937 20 30 EHEDHM N#C[C@@H]([N-]C(=O)CC(F)(F)C(F)F)c1cccc(Cl)c1Cl ZINC000889809515 1139270214 /nfs/dbraw/zinc/27/02/14/1139270214.db2.gz PHQWPZMFMSJADN-MRVPVSSYSA-N -1 3 343.107 3.965 20 30 EHEDHM COc1cc(C=NOC2CCCCC2)cc(Br)c1[O-] ZINC000777460100 1140392165 /nfs/dbraw/zinc/39/21/65/1140392165.db2.gz VBPGJJZVBHZUBS-UHFFFAOYSA-N -1 3 328.206 3.847 20 30 EHEDHM O=C(NCc1ncccc1[O-])Nc1cccc(C#Cc2ccccc2)c1 ZINC000348527066 1141545775 /nfs/dbraw/zinc/54/57/75/1141545775.db2.gz ZSJNKHNWHBJQAF-UHFFFAOYSA-N -1 3 343.386 3.509 20 30 EHEDHM c1ccc(C[C@@H]2CCCC2N=Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000738429247 599286971 /nfs/dbraw/zinc/28/69/71/599286971.db2.gz WLZWDGXNAICTAM-HNNXBMFYSA-N -1 3 332.411 3.677 20 30 EHEDHM c1ccc(C[C@@H]2CCCC2N=Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000738429247 599286972 /nfs/dbraw/zinc/28/69/72/599286972.db2.gz WLZWDGXNAICTAM-HNNXBMFYSA-N -1 3 332.411 3.677 20 30 EHEDHM CCCCC(C)N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736438347 598315448 /nfs/dbraw/zinc/31/54/48/598315448.db2.gz INEAZTQEJZFSFY-UHFFFAOYSA-N -1 3 326.326 3.864 20 30 EHEDHM CCCCC(C)N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736438347 598315450 /nfs/dbraw/zinc/31/54/50/598315450.db2.gz INEAZTQEJZFSFY-UHFFFAOYSA-N -1 3 326.326 3.864 20 30 EHEDHM CSc1cc(C)ccc1CN[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000832774697 601644332 /nfs/dbraw/zinc/64/43/32/601644332.db2.gz ZARWRGXHKLZCBM-KRWDZBQOSA-N -1 3 326.421 3.504 20 30 EHEDHM C=C(Br)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000819718628 606850919 /nfs/dbraw/zinc/85/09/19/606850919.db2.gz LOKWEVVWAISKNG-UHFFFAOYSA-N -1 3 331.626 3.521 20 30 EHEDHM C=C(Br)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819718628 606850921 /nfs/dbraw/zinc/85/09/21/606850921.db2.gz LOKWEVVWAISKNG-UHFFFAOYSA-N -1 3 331.626 3.521 20 30 EHEDHM O=C(C=Cc1cc(Cl)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000826399702 607808138 /nfs/dbraw/zinc/80/81/38/607808138.db2.gz CQRCPUFJKNWWPR-DAXSKMNVSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1cc(Cl)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000826399702 607808139 /nfs/dbraw/zinc/80/81/39/607808139.db2.gz CQRCPUFJKNWWPR-DAXSKMNVSA-N -1 3 328.734 3.555 20 30 EHEDHM C=C[C@H](CC(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823883196 607992496 /nfs/dbraw/zinc/99/24/96/607992496.db2.gz KONVBFCPGPNVPS-HUUCEWRRSA-N -1 3 348.406 3.831 20 30 EHEDHM C=C[C@H](CC(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823883196 607992497 /nfs/dbraw/zinc/99/24/97/607992497.db2.gz KONVBFCPGPNVPS-HUUCEWRRSA-N -1 3 348.406 3.831 20 30 EHEDHM N#Cc1ccc(SCc2cccc(-c3nnn[n-]3)c2F)c(Cl)c1 ZINC000826385956 608399679 /nfs/dbraw/zinc/39/96/79/608399679.db2.gz JDJMNEQDGNGILJ-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM N#Cc1ccc(SCc2cccc(-c3nn[n-]n3)c2F)c(Cl)c1 ZINC000826385956 608399680 /nfs/dbraw/zinc/39/96/80/608399680.db2.gz JDJMNEQDGNGILJ-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nnn[n-]3)c1)CC2 ZINC000826293997 608883360 /nfs/dbraw/zinc/88/33/60/608883360.db2.gz GMZGLMCYNCGPDV-ZROIWOOFSA-N -1 3 334.354 3.527 20 30 EHEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nn[n-]n3)c1)CC2 ZINC000826293997 608883364 /nfs/dbraw/zinc/88/33/64/608883364.db2.gz GMZGLMCYNCGPDV-ZROIWOOFSA-N -1 3 334.354 3.527 20 30 EHEDHM O=C(C=Cc1ccc(F)c(Cl)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826401080 609134115 /nfs/dbraw/zinc/13/41/15/609134115.db2.gz OZPBEKCWTCXNGW-KXFIGUGUSA-N -1 3 346.724 3.694 20 30 EHEDHM O=C(C=Cc1ccc(F)c(Cl)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826401080 609134116 /nfs/dbraw/zinc/13/41/16/609134116.db2.gz OZPBEKCWTCXNGW-KXFIGUGUSA-N -1 3 346.724 3.694 20 30 EHEDHM CC(=NNc1ccc(Cl)c(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823958492 609276881 /nfs/dbraw/zinc/27/68/81/609276881.db2.gz OXZULFGBGYXCTE-UHFFFAOYSA-N -1 3 348.744 3.634 20 30 EHEDHM CC(=NNc1ccc(Cl)c(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823958492 609276883 /nfs/dbraw/zinc/27/68/83/609276883.db2.gz OXZULFGBGYXCTE-UHFFFAOYSA-N -1 3 348.744 3.634 20 30 EHEDHM Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc2cccnc12 ZINC000826266566 947770598 /nfs/dbraw/zinc/77/05/98/947770598.db2.gz TUVWBILJBCRRRN-WTKPLQERSA-N -1 3 341.374 3.619 20 30 EHEDHM Cc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc2cccnc12 ZINC000826266566 947770607 /nfs/dbraw/zinc/77/06/07/947770607.db2.gz TUVWBILJBCRRRN-WTKPLQERSA-N -1 3 341.374 3.619 20 30 EHEDHM C=C(C)COc1cc(CNCc2ccccc2C(=O)[O-])ccc1OC ZINC001573329781 958512094 /nfs/dbraw/zinc/51/20/94/958512094.db2.gz MUVKIXHGVUAWPR-UHFFFAOYSA-N -1 3 341.407 3.638 20 30 EHEDHM C[C@@H](CN(CC#Cc1ccccc1Cl)Cc1ccccc1)C(=O)[O-] ZINC001592592921 978522387 /nfs/dbraw/zinc/52/23/87/978522387.db2.gz UVBLJRCLSSYJPA-INIZCTEOSA-N -1 3 341.838 3.914 20 30 EHEDHM C[C@H](C#N)CSc1ccccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC000274750187 1014815277 /nfs/dbraw/zinc/81/52/77/1014815277.db2.gz AMDNABMAYNNRJW-IUODEOHRSA-N -1 3 335.429 3.518 20 30 EHEDHM C[C@H](C#N)CSc1ccccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC000274750187 1014815285 /nfs/dbraw/zinc/81/52/85/1014815285.db2.gz AMDNABMAYNNRJW-IUODEOHRSA-N -1 3 335.429 3.518 20 30 EHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1Cl ZINC000059769576 1015582582 /nfs/dbraw/zinc/58/25/82/1015582582.db2.gz VEESVHGZPPCVLM-UHFFFAOYSA-N -1 3 345.182 3.805 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(c1ccccc1)[C@@H]1C[C@H]1C ZINC000415885747 1018625396 /nfs/dbraw/zinc/62/53/96/1018625396.db2.gz CWCRACFANUJXHC-BFUOFWGJSA-N -1 3 349.434 3.650 20 30 EHEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(OC2CCCC2)cc1 ZINC000047436863 1018971662 /nfs/dbraw/zinc/97/16/62/1018971662.db2.gz MWUPQCRMZQWQFD-UHFFFAOYSA-N -1 3 340.305 3.781 20 30 EHEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(OC2CCCC2)cc1 ZINC000047436863 1018971680 /nfs/dbraw/zinc/97/16/80/1018971680.db2.gz MWUPQCRMZQWQFD-UHFFFAOYSA-N -1 3 340.305 3.781 20 30 EHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2Cl)c(Cl)c1 ZINC000580373038 1019208263 /nfs/dbraw/zinc/20/82/63/1019208263.db2.gz ZGGRMFMZBURPPU-UHFFFAOYSA-N -1 3 345.182 3.805 20 30 EHEDHM Cc1cc(C([O-])=C(C#N)c2ccncn2)c(C)n1-c1ccccc1C ZINC000760333694 1032874113 /nfs/dbraw/zinc/87/41/13/1032874113.db2.gz MFZDAHKKNGSDLN-KRWDZBQOSA-N -1 3 330.391 3.683 20 30 EHEDHM N#CC(=C([O-])c1cccnc1C1CC1)c1cc(C(F)(F)F)ccn1 ZINC000518639055 1021381193 /nfs/dbraw/zinc/38/11/93/1021381193.db2.gz VMICRNNQKIIFPJ-ZDUSSCGKSA-N -1 3 331.297 3.863 20 30 EHEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000341535248 1022158589 /nfs/dbraw/zinc/15/85/89/1022158589.db2.gz RXARENTULSWPPS-SJLPKXTDSA-N -1 3 340.810 3.958 20 30 EHEDHM N#CCCCOc1cccc(CN[C@H](CC(=O)[O-])c2ccsc2)c1 ZINC000426670886 1022804430 /nfs/dbraw/zinc/80/44/30/1022804430.db2.gz IQIUHVKMYMRIEW-QGZVFWFLSA-N -1 3 344.436 3.736 20 30 EHEDHM C=CC[C@H](C(=O)Nc1ccc(C(=O)OCC)cc1[O-])c1ccccc1 ZINC000427631405 1024543980 /nfs/dbraw/zinc/54/39/80/1024543980.db2.gz YJCSFOZQGMBIBV-INIZCTEOSA-N -1 3 339.391 3.867 20 30 EHEDHM [O-]c1c(O)ccc(C=Nc2ccc(OC(F)F)c3cccnc23)c1O ZINC000588507073 1025381381 /nfs/dbraw/zinc/38/13/81/1025381381.db2.gz YIBQJVYCQDSHKO-UHFFFAOYSA-N -1 3 346.289 3.704 20 30 EHEDHM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000515909058 1025739649 /nfs/dbraw/zinc/73/96/49/1025739649.db2.gz DTHULDYWDACKHY-CYBMUJFWSA-N -1 3 335.256 3.600 20 30 EHEDHM C=CCN(C(=O)c1cccc(C)c1[O-])c1nc2c(s1)CCCC2 ZINC000436583678 1025925746 /nfs/dbraw/zinc/92/57/46/1025925746.db2.gz DZLFQTNTAKKQIZ-UHFFFAOYSA-N -1 3 328.437 3.869 20 30 EHEDHM COc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1OC(F)F ZINC000048789044 1027717941 /nfs/dbraw/zinc/71/79/41/1027717941.db2.gz WWMFRMVXBRFYOK-JTQLQIEISA-N -1 3 338.335 3.552 20 30 EHEDHM CC1(C)CCCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)[C@@H]1C#N ZINC000444716531 1028209627 /nfs/dbraw/zinc/20/96/27/1028209627.db2.gz JZTHTWNWKKZLRR-CQSZACIVSA-N -1 3 336.395 3.596 20 30 EHEDHM CC(C)c1csc(C(C#N)=C([O-])c2ccc(N3CCCC3)nc2)n1 ZINC000156455497 1029842638 /nfs/dbraw/zinc/84/26/38/1029842638.db2.gz JSMKASIVROVIQX-AWEZNQCLSA-N -1 3 340.452 3.752 20 30 EHEDHM [O-]c1c(O)ccc(C=Nc2cccc(Cl)c2Br)c1O ZINC000588577726 1030028505 /nfs/dbraw/zinc/02/85/05/1030028505.db2.gz HCLLASCRANGEBV-UHFFFAOYSA-N -1 3 342.576 3.970 20 30 EHEDHM C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2nnc(C(F)(F)F)[n-]2)o1 ZINC000075536142 1030441550 /nfs/dbraw/zinc/44/15/50/1030441550.db2.gz OPNMAJNVODNWMO-IONNQARKSA-N -1 3 328.294 3.761 20 30 EHEDHM C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2nc(C(F)(F)F)n[n-]2)o1 ZINC000075536142 1030441558 /nfs/dbraw/zinc/44/15/58/1030441558.db2.gz OPNMAJNVODNWMO-IONNQARKSA-N -1 3 328.294 3.761 20 30 EHEDHM Cc1c(C([O-])=C(C#N)c2nc3ccccc3n2C)cnn1CCC(C)C ZINC000160051246 1030502368 /nfs/dbraw/zinc/50/23/68/1030502368.db2.gz QKAVQAQOTMRPGA-OAHLLOKOSA-N -1 3 349.438 3.614 20 30 EHEDHM Cc1cc(C(=O)N([O-])Cc2ccccc2Cl)nn1[C@H](C)C1CC1 ZINC000904190374 1031837429 /nfs/dbraw/zinc/83/74/29/1031837429.db2.gz KYKSEYVPYNJFTQ-GFCCVEGCSA-N -1 3 333.819 3.848 20 30 EHEDHM N#CCN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])C1CCCC1 ZINC000094162339 1033831783 /nfs/dbraw/zinc/83/17/83/1033831783.db2.gz BMPFYRJQUNRDMR-UHFFFAOYSA-N -1 3 334.419 3.891 20 30 EHEDHM CC(C)CCN(CCC#N)C(=O)c1cc([O-])cc(Br)c1 ZINC000599325802 1033870625 /nfs/dbraw/zinc/87/06/25/1033870625.db2.gz LRUHKCFDVMJASC-UHFFFAOYSA-N -1 3 339.233 3.557 20 30 EHEDHM CC(C)(C)CN(CCC#N)C(=O)c1cc([O-])cc(Br)c1 ZINC000599349094 1033884846 /nfs/dbraw/zinc/88/48/46/1033884846.db2.gz DATFWZPREXHDEY-UHFFFAOYSA-N -1 3 339.233 3.557 20 30 EHEDHM C=CCOc1ccc(C([O-])=C(C#N)c2nc(C)cs2)cc1OC ZINC000041517975 1038115216 /nfs/dbraw/zinc/11/52/16/1038115216.db2.gz NLNCKRGDMURSGD-ZDUSSCGKSA-N -1 3 328.393 3.515 20 30 EHEDHM CCOc1ccccc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000041555324 1038119356 /nfs/dbraw/zinc/11/93/56/1038119356.db2.gz HVFJDVOGSGTDOO-CYBMUJFWSA-N -1 3 334.297 3.989 20 30 EHEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(COC(C)(C)CC)c1C ZINC000416959115 1039269596 /nfs/dbraw/zinc/26/95/96/1039269596.db2.gz PSRFEYKCWLMIEZ-OAHLLOKOSA-N -1 3 338.473 3.744 20 30 EHEDHM N#Cc1cccc(C2(NC(=O)CCCc3ccc([O-])c(F)c3)CC2)c1 ZINC000552469638 1039312006 /nfs/dbraw/zinc/31/20/06/1039312006.db2.gz JLINYBRIOZDDEN-UHFFFAOYSA-N -1 3 338.382 3.531 20 30 EHEDHM C=CCOc1ccc(CNCc2ccc(C(=O)[O-])c(C)c2)cc1OC ZINC000417666833 1040144225 /nfs/dbraw/zinc/14/42/25/1040144225.db2.gz GQWPEBUJAIUXSH-UHFFFAOYSA-N -1 3 341.407 3.556 20 30 EHEDHM Cc1ccc([C@@H](O)C/N=C/c2cc(Br)ccc2[O-])cc1 ZINC000032070580 1120882585 /nfs/dbraw/zinc/88/25/85/1120882585.db2.gz HIOPMRAZOVREDV-ZJTXRKTBSA-N -1 3 334.213 3.616 20 30 EHEDHM CCc1nnsc1C(=O)[N-]c1sc2c(c1C#N)CCCCCC2 ZINC000193371710 1121208847 /nfs/dbraw/zinc/20/88/47/1121208847.db2.gz ZVSWVIIVWIPTMA-UHFFFAOYSA-N -1 3 346.481 3.945 20 30 EHEDHM C=C(C)COc1cccc(NCc2cc(OC)c([O-])cc2[N+](=O)[O-])c1 ZINC000129270778 1122759084 /nfs/dbraw/zinc/75/90/84/1122759084.db2.gz TUSRVOGBYBCCDY-UHFFFAOYSA-N -1 3 344.367 3.876 20 30 EHEDHM CCCCCCCOC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000919106672 1122978017 /nfs/dbraw/zinc/97/80/17/1122978017.db2.gz KOKYEUHGHHMZKI-INIZCTEOSA-N -1 3 333.428 3.510 20 30 EHEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)c2ccccc2C(F)(F)F)c1[O-] ZINC000920178096 1123326611 /nfs/dbraw/zinc/32/66/11/1123326611.db2.gz OFYSGEUZABBODQ-ATYVMVDZSA-N -1 3 338.329 3.787 20 30 EHEDHM O=[N+]([O-])c1ccc(CC/N=C/c2cc(Br)ccc2[O-])cc1 ZINC000920173365 1123331914 /nfs/dbraw/zinc/33/19/14/1123331914.db2.gz QJGRATDZNPSSGX-LICLKQGHSA-N -1 3 349.184 3.725 20 30 EHEDHM CCC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cccc(Cl)c1 ZINC000920387956 1123363751 /nfs/dbraw/zinc/36/37/51/1123363751.db2.gz WROKPOQKTLRBCZ-UHFFFAOYSA-N -1 3 336.844 3.574 20 30 EHEDHM Cc1cc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)o1 ZINC000175112441 1123602389 /nfs/dbraw/zinc/60/23/89/1123602389.db2.gz ZJEYQFBBRXGGCG-LLVKDONJSA-N -1 3 334.734 3.650 20 30 EHEDHM Cc1ccc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c([O-])c1O ZINC000182406203 1125280873 /nfs/dbraw/zinc/28/08/73/1125280873.db2.gz PXSKIFYUVQBPNJ-NSHDSACASA-N -1 3 342.420 3.910 20 30 EHEDHM CCCCn1ncc(C([O-])=C(C#N)c2nc3ccccc3n2C)c1CC ZINC000429115853 1129822654 /nfs/dbraw/zinc/82/26/54/1129822654.db2.gz PRZNCQXQIHHDIM-CQSZACIVSA-N -1 3 349.438 3.622 20 30 EHEDHM N#Cc1cc(Cl)ncc1[N-]C(=O)c1cc(-c2ccc(F)cc2)no1 ZINC001128611373 1130005451 /nfs/dbraw/zinc/00/54/51/1130005451.db2.gz ZUPYQQZAYPTUOQ-UHFFFAOYSA-N -1 3 342.717 3.653 20 30 EHEDHM COc1cc(C(=O)/C=C\c2nccn2Cc2ccccc2)ccc1[O-] ZINC000734096986 1131192671 /nfs/dbraw/zinc/19/26/71/1131192671.db2.gz VNZGWPJJLMLDRL-KTKRTIGZSA-N -1 3 334.375 3.542 20 30 EHEDHM Cc1ccc(N2CCC[C@H](/N=C\c3cc(Cl)ccc3[O-])C2=O)cc1 ZINC000741845171 1131655918 /nfs/dbraw/zinc/65/59/18/1131655918.db2.gz RUQXQNPOAXCSDV-WCEBZYJUSA-N -1 3 342.826 3.969 20 30 EHEDHM N#Cc1cc(NC(=O)CSc2ccc3ccccc3n2)ccc1[O-] ZINC001180033920 1133319157 /nfs/dbraw/zinc/31/91/57/1133319157.db2.gz DXTRWWLCIVHBLU-UHFFFAOYSA-N -1 3 335.388 3.543 20 30 EHEDHM [O-]c1c(O)ccc(C=Nc2ccc3c(c2)ncn3-c2ccccc2)c1O ZINC000769774877 1133339231 /nfs/dbraw/zinc/33/92/31/1133339231.db2.gz VMJPBXYDDYWCBK-UHFFFAOYSA-N -1 3 345.358 3.893 20 30 EHEDHM N#Cc1cccc(CCC(=O)Nc2cc(Br)ccc2[O-])c1 ZINC001182340363 1133637721 /nfs/dbraw/zinc/63/77/21/1133637721.db2.gz LGWCDWJUPUBMRG-UHFFFAOYSA-N -1 3 345.196 3.598 20 30 EHEDHM CC(C)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cn1 ZINC000772552531 1133698840 /nfs/dbraw/zinc/69/88/40/1133698840.db2.gz WTLJUXOVJNTYNS-CYBMUJFWSA-N -1 3 341.798 3.820 20 30 EHEDHM O=C([C@H](c1ccncc1)C1CCCC1)N([O-])Cc1ccc(F)cc1 ZINC001184347894 1133930224 /nfs/dbraw/zinc/93/02/24/1133930224.db2.gz IFMYLBRQLZVHLK-SFHVURJKSA-N -1 3 328.387 3.913 20 30 EHEDHM Cc1coc(NC(=O)c2cc(-n3c(C)ccc3C)ccc2[O-])c1C#N ZINC001186830704 1134264363 /nfs/dbraw/zinc/26/43/63/1134264363.db2.gz UTDPXEBQRYESIM-UHFFFAOYSA-N -1 3 335.363 3.825 20 30 EHEDHM COC[C@H](Cc1ccccc1)/N=C\c1cc(Br)ccc1[O-] ZINC000746817479 1134281144 /nfs/dbraw/zinc/28/11/44/1134281144.db2.gz ZOJSZLIZJHNBOX-YLRSXTQRSA-N -1 3 348.240 3.831 20 30 EHEDHM CC(C)c1nc(-c2ccc(C(=O)Nc3ccc([O-])c(C#N)c3)cc2)no1 ZINC001187512946 1134339689 /nfs/dbraw/zinc/33/96/89/1134339689.db2.gz STOOBXNQIGNLSQ-UHFFFAOYSA-N -1 3 348.362 3.690 20 30 EHEDHM Cc1n[nH]c(C)c1-c1ccccc1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001190167548 1134666022 /nfs/dbraw/zinc/66/60/22/1134666022.db2.gz SGXOEZIKYXKGFO-UHFFFAOYSA-N -1 3 332.363 3.523 20 30 EHEDHM N#Cc1c(F)ccc([N-]C(=O)c2csc(C(F)(F)F)n2)c1F ZINC001191016925 1134780071 /nfs/dbraw/zinc/78/00/71/1134780071.db2.gz SUYPJGVMIXXFHR-UHFFFAOYSA-N -1 3 333.241 3.564 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1C=CCCCCC1 ZINC000793409996 1134917684 /nfs/dbraw/zinc/91/76/84/1134917684.db2.gz XWJYMZCFDHAPDN-OAHLLOKOSA-N -1 3 328.412 3.640 20 30 EHEDHM CC(=Nn1cc(Br)cn1)c1cc(Cl)cc(C)c1[O-] ZINC000807979607 1135597697 /nfs/dbraw/zinc/59/76/97/1135597697.db2.gz VPZGQBQWHBJALD-UHFFFAOYSA-N -1 3 328.597 3.585 20 30 EHEDHM CCc1cc(C#N)ccc1[N-]S(=O)(=O)c1c(C)cc(OC)cc1C ZINC001196877733 1135620952 /nfs/dbraw/zinc/62/09/52/1135620952.db2.gz PABJGVXPWDUXLX-UHFFFAOYSA-N -1 3 344.436 3.547 20 30 EHEDHM N#Cc1oc2ccccc2c1[N-]C(=O)c1cccc(OC(F)F)n1 ZINC001199301342 1135894109 /nfs/dbraw/zinc/89/41/09/1135894109.db2.gz LMFUURPPRVGAGA-UHFFFAOYSA-N -1 3 329.262 3.553 20 30 EHEDHM N#Cc1ccccc1OCCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811394844 1136082313 /nfs/dbraw/zinc/08/23/13/1136082313.db2.gz KQUXKNJLKKPPDC-UHFFFAOYSA-N -1 3 346.795 3.990 20 30 EHEDHM Cc1ncc(CO)c(C=Nc2ccc3c(c2)Cc2ccccc2-3)c1[O-] ZINC000747713459 1136084024 /nfs/dbraw/zinc/08/40/24/1136084024.db2.gz YXPUSLIYJHAVCS-UHFFFAOYSA-N -1 3 330.387 3.910 20 30 EHEDHM Cc1ncc(CO)c(/C=N\[C@H](C)c2ccc(Br)cc2)c1[O-] ZINC000747713030 1136084507 /nfs/dbraw/zinc/08/45/07/1136084507.db2.gz MXOOYUNBNRMHHN-AFWYBORESA-N -1 3 349.228 3.531 20 30 EHEDHM COc1cc(C=NNc2ccccc2F)cc(Br)c1[O-] ZINC000812458328 1136210921 /nfs/dbraw/zinc/21/09/21/1136210921.db2.gz AFFPAADREUYAKS-UHFFFAOYSA-N -1 3 339.164 3.748 20 30 EHEDHM CCOc1cc(C=NOCCC2CC2)cc(Br)c1[O-] ZINC000814246293 1136425123 /nfs/dbraw/zinc/42/51/23/1136425123.db2.gz YVGJJHWMLJLQIP-UHFFFAOYSA-N -1 3 328.206 3.704 20 30 EHEDHM CC(N=Nc1nnc(-c2ccccc2)s1)c1ccc([O-])c(F)c1 ZINC000814946663 1136529546 /nfs/dbraw/zinc/52/95/46/1136529546.db2.gz NOGADSQZQOZFLO-UHFFFAOYSA-N -1 3 328.372 3.886 20 30 EHEDHM COc1cc(OC)c(/C=C/C(=O)c2ccc([O-])c(C)c2)c(OC)c1 ZINC000794707115 1137239033 /nfs/dbraw/zinc/23/90/33/1137239033.db2.gz JZBZJQJAWXOORN-SOFGYWHQSA-N -1 3 328.364 3.623 20 30 EHEDHM N#CC(C(=O)c1cc2c(s1)CCCC2)=C([O-])C=Cc1cccnc1 ZINC000845835519 1137314311 /nfs/dbraw/zinc/31/43/11/1137314311.db2.gz BIIIECWXRDKGOD-LZNQSLFOSA-N -1 3 336.416 3.627 20 30 EHEDHM Cc1cccc(O[C@H](C)C(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)c1 ZINC000845836148 1137314414 /nfs/dbraw/zinc/31/44/14/1137314414.db2.gz HIKNSQMJXUDICQ-APWZRJJASA-N -1 3 347.414 3.772 20 30 EHEDHM C[C@H](OCc1ccccc1)C(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1 ZINC000845838573 1137314711 /nfs/dbraw/zinc/31/47/11/1137314711.db2.gz FKRDUVBGGCPMFU-QFBILLFUSA-N -1 3 347.414 3.601 20 30 EHEDHM C[C@H](C([O-])=C(C#N)C(=O)C1(c2ccccc2)CC1)c1ccccc1F ZINC000845838467 1137314912 /nfs/dbraw/zinc/31/49/12/1137314912.db2.gz NQBXFADNDVDMOF-YOEHRIQHSA-N -1 3 335.378 3.939 20 30 EHEDHM O=C(CC(F)(F)C(F)(F)F)[N-][C@H](C1CCCC1)C(F)(F)F ZINC000866429843 1137354316 /nfs/dbraw/zinc/35/43/16/1137354316.db2.gz LYCSBRLRKBAPLQ-MRVPVSSYSA-N -1 3 327.215 3.811 20 30 EHEDHM N#Cc1ccccc1C(F)(F)C(=O)[N-][C@H]1CCc2ccc(F)cc21 ZINC001144927354 1137364210 /nfs/dbraw/zinc/36/42/10/1137364210.db2.gz JEDKAIXUWRSNHQ-INIZCTEOSA-N -1 3 330.309 3.593 20 30 EHEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1cnn(Cc2ccccc2)c1 ZINC000794941816 1137374025 /nfs/dbraw/zinc/37/40/25/1137374025.db2.gz ZADDJLBYIKSLOJ-VURMDHGXSA-N -1 3 340.329 3.811 20 30 EHEDHM Cc1ccc(CSc2nc(NC(=O)CCCCCC#N)n[n-]2)cc1 ZINC000889251362 1139183439 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C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)c1ccc(C#N)cc1 ZINC000736192978 599172613 /nfs/dbraw/zinc/17/26/13/599172613.db2.gz OOPZMOXZWINUIN-JTQLQIEISA-N -1 3 325.372 3.731 20 30 EHEDHM CCCCCC[C@@H](C)CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736446822 599196786 /nfs/dbraw/zinc/19/67/86/599196786.db2.gz QGKVRINFOMHNGB-CYBMUJFWSA-N -1 3 340.431 3.673 20 30 EHEDHM CCCCCC[C@@H](C)CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736446822 599196787 /nfs/dbraw/zinc/19/67/87/599196787.db2.gz QGKVRINFOMHNGB-CYBMUJFWSA-N -1 3 340.431 3.673 20 30 EHEDHM FC(F)(F)c1cc(N=NC=CCc2ccco2)ccc1-c1nnn[n-]1 ZINC000737634091 598314513 /nfs/dbraw/zinc/31/45/13/598314513.db2.gz YENVFQGAKHOYCU-BLWNCRQMSA-N -1 3 348.288 3.590 20 30 EHEDHM FC(F)(F)c1cc(N=NC=CCc2ccco2)ccc1-c1nn[n-]n1 ZINC000737634091 598314514 /nfs/dbraw/zinc/31/45/14/598314514.db2.gz YENVFQGAKHOYCU-BLWNCRQMSA-N -1 3 348.288 3.590 20 30 EHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1 ZINC000735450550 598315602 /nfs/dbraw/zinc/31/56/02/598315602.db2.gz ALHKSSZBMCNGAY-UHFFFAOYSA-N -1 3 346.316 3.722 20 30 EHEDHM N#Cc1ccc(F)cc1CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826385369 607846071 /nfs/dbraw/zinc/84/60/71/607846071.db2.gz JDMHDSRNIZCNMP-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM N#Cc1ccc(F)cc1CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826385369 607846072 /nfs/dbraw/zinc/84/60/72/607846072.db2.gz JDMHDSRNIZCNMP-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM O=C1C(=Cc2cscc2Cl)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823503791 607367912 /nfs/dbraw/zinc/36/79/12/607367912.db2.gz IWDPPGPDAMRMFF-POHAHGRESA-N -1 3 342.811 3.794 20 30 EHEDHM O=C1C(=Cc2cscc2Cl)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823503791 607367913 /nfs/dbraw/zinc/36/79/13/607367913.db2.gz IWDPPGPDAMRMFF-POHAHGRESA-N -1 3 342.811 3.794 20 30 EHEDHM C=CCC[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000819734744 607379565 /nfs/dbraw/zinc/37/95/65/607379565.db2.gz SHEISMNLKOOMII-KRWDZBQOSA-N -1 3 348.410 3.696 20 30 EHEDHM C=CCC[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819734744 607379567 /nfs/dbraw/zinc/37/95/67/607379567.db2.gz SHEISMNLKOOMII-KRWDZBQOSA-N -1 3 348.410 3.696 20 30 EHEDHM CC(C)(C)c1ncc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000735655458 599457619 /nfs/dbraw/zinc/45/76/19/599457619.db2.gz PPELCIKJWAELPH-HJWRWDBZSA-N -1 3 339.424 3.517 20 30 EHEDHM CC(C)(C)c1ncc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000735655458 599457621 /nfs/dbraw/zinc/45/76/21/599457621.db2.gz PPELCIKJWAELPH-HJWRWDBZSA-N -1 3 339.424 3.517 20 30 EHEDHM N#Cc1ccc([C@H](NCc2ccc(-c3cccnc3)cc2)C(=O)[O-])cc1 ZINC000833071536 600760937 /nfs/dbraw/zinc/76/09/37/600760937.db2.gz GPSHCFSHJLZVKP-FQEVSTJZSA-N -1 3 343.386 3.536 20 30 EHEDHM Cc1c2ccccc2oc1C(=O)C=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822015142 606304101 /nfs/dbraw/zinc/30/41/01/606304101.db2.gz FEACEWGQIOAOIZ-SREVYHEPSA-N -1 3 336.376 3.879 20 30 EHEDHM Cc1c2ccccc2oc1C(=O)C=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822015142 606304102 /nfs/dbraw/zinc/30/41/02/606304102.db2.gz FEACEWGQIOAOIZ-SREVYHEPSA-N -1 3 336.376 3.879 20 30 EHEDHM CC[C@H](C)c1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000820881663 606680565 /nfs/dbraw/zinc/68/05/65/606680565.db2.gz CLMQFTKTPUAWJE-LBPRGKRZSA-N -1 3 346.394 3.504 20 30 EHEDHM CC[C@H](C)c1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000820881663 606680566 /nfs/dbraw/zinc/68/05/66/606680566.db2.gz CLMQFTKTPUAWJE-LBPRGKRZSA-N -1 3 346.394 3.504 20 30 EHEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000826400577 607915947 /nfs/dbraw/zinc/91/59/47/607915947.db2.gz BQLGAQHTAMBUMO-WAPJZHGLSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC000826400577 607915948 /nfs/dbraw/zinc/91/59/48/607915948.db2.gz BQLGAQHTAMBUMO-WAPJZHGLSA-N -1 3 328.734 3.555 20 30 EHEDHM C=C(C)[C@@H]1CCC(C)=C(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C1 ZINC000823874779 608536745 /nfs/dbraw/zinc/53/67/45/608536745.db2.gz YSTBSOFJDUIGFQ-LLVKDONJSA-N -1 3 343.822 3.615 20 30 EHEDHM C=C(C)[C@@H]1CCC(C)=C(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C1 ZINC000823874779 608536746 /nfs/dbraw/zinc/53/67/46/608536746.db2.gz YSTBSOFJDUIGFQ-LLVKDONJSA-N -1 3 343.822 3.615 20 30 EHEDHM CCc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC000825704682 608876347 /nfs/dbraw/zinc/87/63/47/608876347.db2.gz MWQBIYDGBSVTCM-QPJJXVBHSA-N -1 3 328.372 3.526 20 30 EHEDHM CCc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000825704682 608876349 /nfs/dbraw/zinc/87/63/49/608876349.db2.gz MWQBIYDGBSVTCM-QPJJXVBHSA-N -1 3 328.372 3.526 20 30 EHEDHM Cc1cc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc(C)c1F ZINC000826257219 608880122 /nfs/dbraw/zinc/88/01/22/608880122.db2.gz SUTCDRYYPJLCBP-XQRVVYSFSA-N -1 3 340.333 3.658 20 30 EHEDHM Cc1cc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc(C)c1F ZINC000826257219 608880123 /nfs/dbraw/zinc/88/01/23/608880123.db2.gz SUTCDRYYPJLCBP-XQRVVYSFSA-N -1 3 340.333 3.658 20 30 EHEDHM C=C(C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)C[C@@H](C)C[C@@H]2C ZINC001573294120 946977600 /nfs/dbraw/zinc/97/76/00/946977600.db2.gz UVFBYSOZAISNGZ-QWRGUYRKSA-N -1 3 345.472 3.909 20 30 EHEDHM C=C(C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)C[C@@H](C)C[C@@H]2C ZINC001573294120 946977614 /nfs/dbraw/zinc/97/76/14/946977614.db2.gz UVFBYSOZAISNGZ-QWRGUYRKSA-N -1 3 345.472 3.909 20 30 EHEDHM O=C(C=Cc1ccccc1Cl)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826402028 948224333 /nfs/dbraw/zinc/22/43/33/948224333.db2.gz LNNDQIYYURFLAQ-SOFGYWHQSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1ccccc1Cl)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826402028 948224343 /nfs/dbraw/zinc/22/43/43/948224343.db2.gz LNNDQIYYURFLAQ-SOFGYWHQSA-N -1 3 328.734 3.555 20 30 EHEDHM CCCc1c(C([O-])=C(C#N)c2ccccn2)cnn1Cc1ccccc1 ZINC000049458393 1014162162 /nfs/dbraw/zinc/16/21/62/1014162162.db2.gz RFYMHEVZQJNMFK-KRWDZBQOSA-N -1 3 344.418 3.769 20 30 EHEDHM C=CCOc1cccc(CN[C@H](CC(=O)[O-])c2ccc(OC)cc2)c1 ZINC000683172061 1014726552 /nfs/dbraw/zinc/72/65/52/1014726552.db2.gz VAGRTKCDKXFJFN-LJQANCHMSA-N -1 3 341.407 3.566 20 30 EHEDHM C=CCC[C@@H]1CCCN1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001588782704 984174175 /nfs/dbraw/zinc/17/41/75/984174175.db2.gz ZGOLTJUKROCQMO-QGZVFWFLSA-N -1 3 326.396 3.970 20 30 EHEDHM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1cccc(OC(F)F)c1 ZINC001593189269 994111067 /nfs/dbraw/zinc/11/10/67/994111067.db2.gz GNRJGSMZWDQWJB-BDJLRTHQSA-N -1 3 346.333 3.636 20 30 EHEDHM C=CCN(C(=O)c1cc(C)ccc1[O-])c1nc2c(s1)CCCC2 ZINC000536733456 1032206789 /nfs/dbraw/zinc/20/67/89/1032206789.db2.gz IFKLIPFYXAEDSR-UHFFFAOYSA-N -1 3 328.437 3.869 20 30 EHEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1csc(-c2ccccc2)n1 ZINC000127995778 1032339541 /nfs/dbraw/zinc/33/95/41/1032339541.db2.gz CYYHMSLFFJPJGX-OAHLLOKOSA-N -1 3 347.399 3.771 20 30 EHEDHM C=CCCC(C)(C)CNC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000828022363 1032556393 /nfs/dbraw/zinc/55/63/93/1032556393.db2.gz DPZRNASLYIHOFP-UHFFFAOYSA-N -1 3 334.366 3.529 20 30 EHEDHM CC(C)CCc1nnc([N-]C(=O)c2cc(F)c(C#N)c(F)c2)s1 ZINC000597871042 1032712206 /nfs/dbraw/zinc/71/22/06/1032712206.db2.gz DCVDLYLROGPNOC-UHFFFAOYSA-N -1 3 336.367 3.529 20 30 EHEDHM Cc1sc([N-]C(=O)c2coc(C3CCOCC3)n2)c(C#N)c1C ZINC000328770146 1022486642 /nfs/dbraw/zinc/48/66/42/1022486642.db2.gz CJWKFWHFXDTQCX-UHFFFAOYSA-N -1 3 331.397 3.755 20 30 EHEDHM CC(C)(C)CN(CCC#N)Cc1cccc(Br)c1[O-] ZINC000093101207 1023093658 /nfs/dbraw/zinc/09/36/58/1023093658.db2.gz NZXGBNZGCXRVNE-UHFFFAOYSA-N -1 3 325.250 3.916 20 30 EHEDHM N#C[C@@]1(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)CC12CCCC2 ZINC000295259126 1023198414 /nfs/dbraw/zinc/19/84/14/1023198414.db2.gz BQAXLGLJDNPYQG-LJQANCHMSA-N -1 3 347.378 3.630 20 30 EHEDHM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(C#N)cc1F ZINC000610914787 1023874359 /nfs/dbraw/zinc/87/43/59/1023874359.db2.gz HEOXPWINTJJYHY-UHFFFAOYSA-N -1 3 332.400 3.623 20 30 EHEDHM [O-]c1c(O)ccc(C=Nc2ccc(OCc3cccnc3)cc2)c1O ZINC000728437802 1024455415 /nfs/dbraw/zinc/45/54/15/1024455415.db2.gz IYUHSBHVYDJASX-UHFFFAOYSA-N -1 3 336.347 3.528 20 30 EHEDHM COCc1ncsc1C(=O)[N-]c1sc2c(c1C#N)CC[C@H](C)C2 ZINC000551459344 1025314025 /nfs/dbraw/zinc/31/40/25/1025314025.db2.gz KCGMLXVJXLAITB-VIFPVBQESA-N -1 3 347.465 3.600 20 30 EHEDHM CC(C)(C)c1ccc([O-])c(NC(=O)c2ncc(C#N)cc2Cl)c1 ZINC000532679780 1027941945 /nfs/dbraw/zinc/94/19/45/1027941945.db2.gz OQGCTZBRIKDOEK-UHFFFAOYSA-N -1 3 329.787 3.862 20 30 EHEDHM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000088547134 1028413617 /nfs/dbraw/zinc/41/36/17/1028413617.db2.gz DEIIFKLRUXEXOP-UHFFFAOYSA-N -1 3 345.182 3.805 20 30 EHEDHM Cc1sc([N-]C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])c(C#N)c1C ZINC000760275358 1028623472 /nfs/dbraw/zinc/62/34/72/1028623472.db2.gz ZROOXLMMTRBUNB-UHFFFAOYSA-N -1 3 333.344 3.845 20 30 EHEDHM N#Cc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c(F)c1 ZINC000178809050 1029126342 /nfs/dbraw/zinc/12/63/42/1029126342.db2.gz BOMYXFJIKANWPQ-UHFFFAOYSA-N -1 3 344.289 3.517 20 30 EHEDHM COc1ccc(C([O-])=C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000114621173 1029534065 /nfs/dbraw/zinc/53/40/65/1029534065.db2.gz BZJHSEAMCQPUSM-OAHLLOKOSA-N -1 3 335.388 3.704 20 30 EHEDHM C=CC[C@@H]1N(C(=O)c2cc(OC)c([O-])c(OC)c2)CCCC1(C)C ZINC000278209101 1029666916 /nfs/dbraw/zinc/66/69/16/1029666916.db2.gz SSFRCPDLOGZRKA-INIZCTEOSA-N -1 3 333.428 3.616 20 30 EHEDHM CCCOc1nc(C([O-])=C(C#N)c2ccccn2)cc2ccccc21 ZINC000114848071 1029878109 /nfs/dbraw/zinc/87/81/09/1029878109.db2.gz CPJZYKAGHZXDDJ-INIZCTEOSA-N -1 3 331.375 3.909 20 30 EHEDHM CC[C@@H](NCc1nc2c(s1)CCCC2)c1cccc(C#N)c1[O-] ZINC000926918422 1031322519 /nfs/dbraw/zinc/32/25/19/1031322519.db2.gz HMOJYSYWYLQBCM-CQSZACIVSA-N -1 3 327.453 3.840 20 30 EHEDHM Cc1nn(C(C)C)c(C)c1CC(=O)N([O-])Cc1ccccc1Cl ZINC000904193823 1031840787 /nfs/dbraw/zinc/84/07/87/1031840787.db2.gz WFACLXXMDSPTTR-UHFFFAOYSA-N -1 3 335.835 3.695 20 30 EHEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC000448942392 1031919803 /nfs/dbraw/zinc/91/98/03/1031919803.db2.gz REQQCLGTWPVAEC-KRWDZBQOSA-N -1 3 340.398 3.752 20 30 EHEDHM COc1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc(OC)c1C ZINC000647374552 1034069150 /nfs/dbraw/zinc/06/91/50/1034069150.db2.gz GGEMTXNLQJQQSQ-CYBMUJFWSA-N -1 3 342.420 3.836 20 30 EHEDHM C=CCc1ccc(OCC(=O)Nc2ccc(Cl)cc2[O-])c(OC)c1 ZINC000535420960 1036463604 /nfs/dbraw/zinc/46/36/04/1036463604.db2.gz YUZBHNQBNSCPPG-UHFFFAOYSA-N -1 3 347.798 3.800 20 30 EHEDHM Cc1cccc(OCCCCC(=O)Nc2nnc(C(F)(F)F)[n-]2)c1 ZINC000057430570 1036875094 /nfs/dbraw/zinc/87/50/94/1036875094.db2.gz DDBBKQRPTHBPSA-UHFFFAOYSA-N -1 3 342.321 3.969 20 30 EHEDHM Cc1cccc(OCCCCC(=O)Nc2nc(C(F)(F)F)n[n-]2)c1 ZINC000057430570 1036875123 /nfs/dbraw/zinc/87/51/23/1036875123.db2.gz DDBBKQRPTHBPSA-UHFFFAOYSA-N -1 3 342.321 3.969 20 30 EHEDHM C=CCCC[C@H](C(=O)N1CCCc2c(=O)[n-]cnc21)c1ccccc1 ZINC000893204156 1038466277 /nfs/dbraw/zinc/46/62/77/1038466277.db2.gz PIOXWIMDGHNIRA-INIZCTEOSA-N -1 3 337.423 3.602 20 30 EHEDHM Cc1cc(C)cc(-c2cc(=NC(=O)[C@H](C)c3cccc(C#N)c3)[nH][n-]2)c1 ZINC000462021650 1038723398 /nfs/dbraw/zinc/72/33/98/1038723398.db2.gz FJJFEFFXBITBOP-OAHLLOKOSA-N -1 3 344.418 3.729 20 30 EHEDHM N#Cc1ccc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)c(F)c1 ZINC000432696129 1038801539 /nfs/dbraw/zinc/80/15/39/1038801539.db2.gz SNTFSQDKMHVJSA-SFQUDFHCSA-N -1 3 331.350 3.564 20 30 EHEDHM C=C[C@@H](CCC(=O)[O-])NCc1ccc(Br)cc1Cl ZINC000417625844 1040102197 /nfs/dbraw/zinc/10/21/97/1040102197.db2.gz NCYIIRLMJXDEBS-NSHDSACASA-N -1 3 332.625 3.612 20 30 EHEDHM COc1cc(C=CC(=O)c2c[nH]c3ncccc23)cc(Cl)c1[O-] ZINC000123740021 1040920616 /nfs/dbraw/zinc/92/06/16/1040920616.db2.gz IYPXOJCUELHLTI-SNAWJCMRSA-N -1 3 328.755 3.827 20 30 EHEDHM CCCCCCN([O-])C(=O)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC001649057149 1128058264 /nfs/dbraw/zinc/05/82/64/1128058264.db2.gz QDNDARBMFFYLCR-GOSISDBHSA-N -1 3 336.451 3.978 20 30 EHEDHM Cc1ncc(CO)c(/C=N\[C@H](C)c2cccc(Br)c2)c1[O-] ZINC000914557559 1120896254 /nfs/dbraw/zinc/89/62/54/1120896254.db2.gz JUJYPYCBMXNOFQ-AFWYBORESA-N -1 3 349.228 3.531 20 30 EHEDHM CC(C)(C)OC(=O)Nc1ccoc1C([O-])=C(C#N)c1ccccn1 ZINC000496024104 1121615358 /nfs/dbraw/zinc/61/53/58/1121615358.db2.gz IKGUTMJDQBFECJ-NSHDSACASA-N -1 3 327.340 3.512 20 30 EHEDHM COc1cc(C(=O)/C=C\c2cnc(C(C)C)s2)c(OC)cc1[O-] ZINC000763105227 1121682156 /nfs/dbraw/zinc/68/21/56/1121682156.db2.gz JWBAIDVVJKMIQW-WAYWQWQTSA-N -1 3 333.409 3.885 20 30 EHEDHM Cc1cc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)ncc1C#N ZINC001649025772 1121849159 /nfs/dbraw/zinc/84/91/59/1121849159.db2.gz AFFMBZMVBZKBOL-UHFFFAOYSA-N -1 3 336.178 3.600 20 30 EHEDHM Cc1ncc(CO)c(/C=N\CC2(c3ccc(F)cc3)CCCC2)c1[O-] ZINC000915981962 1122007698 /nfs/dbraw/zinc/00/76/98/1122007698.db2.gz KOXJJCNLSPHLQG-JJFYIABZSA-N -1 3 342.414 3.658 20 30 EHEDHM Cc1ncc(CO)c(C=NN(Cc2ccccc2)c2ccccc2)c1[O-] ZINC000916249635 1122109942 /nfs/dbraw/zinc/10/99/42/1122109942.db2.gz CRCFAMCTLYASDT-UHFFFAOYSA-N -1 3 347.418 3.629 20 30 EHEDHM COc1cc(C=NNc2cccc3c2CCCC3)c([N+](=O)[O-])cc1[O-] ZINC000917552437 1122635503 /nfs/dbraw/zinc/63/55/03/1122635503.db2.gz HZPCTYDSMAJZRH-UHFFFAOYSA-N -1 3 341.367 3.634 20 30 EHEDHM [O-]c1ccc(Cl)cc1/C=N\Cc1ccc(N2CCOCC2)cc1 ZINC000920174212 1123331892 /nfs/dbraw/zinc/33/18/92/1123331892.db2.gz LCTUJXVFTCMJBL-MOSHPQCFSA-N -1 3 330.815 3.501 20 30 EHEDHM CSc1nc2ccc(N=Cc3ccc(O)c([O-])c3O)cc2s1 ZINC000920942457 1123441126 /nfs/dbraw/zinc/44/11/26/1123441126.db2.gz CQSJJRNTJVQAET-UHFFFAOYSA-N -1 3 332.406 3.886 20 30 EHEDHM CCCOc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c(C)c1 ZINC000619462115 1125350493 /nfs/dbraw/zinc/35/04/93/1125350493.db2.gz DNCVTYYHORJGLF-UHFFFAOYSA-N -1 3 344.436 3.651 20 30 EHEDHM [O-]c1ccc(CN=Nc2c(F)cccc2F)cc1Br ZINC000735615542 1131363399 /nfs/dbraw/zinc/36/33/99/1131363399.db2.gz SRGZNLVQXGCXOU-UHFFFAOYSA-N -1 3 327.128 3.879 20 30 EHEDHM Cc1nc(CC(C)C)sc1C([O-])=C(C#N)C(=O)Nc1ccccc1 ZINC000727953532 1130613268 /nfs/dbraw/zinc/61/32/68/1130613268.db2.gz JIBABIQMZGHPDV-CQSZACIVSA-N -1 3 341.436 3.611 20 30 EHEDHM Cc1ncc(CO)c(/C=N\[C@H](C)c2csc3ccccc32)c1[O-] ZINC000729936251 1130655917 /nfs/dbraw/zinc/65/59/17/1130655917.db2.gz MXMFZCDATUXVKD-JOVAIETRSA-N -1 3 326.421 3.983 20 30 EHEDHM CCOc1cc(C=NNC(CC)CC)cc(Br)c1[O-] ZINC000734366329 1131225523 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N#Cc1c(Cl)cc(C(=O)Nc2cc([O-])cc(Cl)c2)nc1Cl ZINC001184808061 1133993497 /nfs/dbraw/zinc/99/34/97/1133993497.db2.gz PGTULIOCQFBEDG-UHFFFAOYSA-N -1 3 342.569 3.871 20 30 EHEDHM C[C@@H](Cc1ccccc1)c1cc(C(=O)Nc2ccc([O-])c(C#N)c2)n[nH]1 ZINC001184998659 1134017570 /nfs/dbraw/zinc/01/75/70/1134017570.db2.gz XUIHVNQCPVXKQJ-ZDUSSCGKSA-N -1 3 346.390 3.585 20 30 EHEDHM CCOC(=O)c1cc(C#N)c(NC(=O)CC[C@@H](C)CC)c(C)c1[O-] ZINC001185573215 1134107994 /nfs/dbraw/zinc/10/79/94/1134107994.db2.gz ZEXSRTZRCRZKPE-NSHDSACASA-N -1 3 332.400 3.514 20 30 EHEDHM N#Cc1ccc(-c2ccc(C(=O)Nc3cncc([O-])c3)cc2)cc1F ZINC001188696907 1134496272 /nfs/dbraw/zinc/49/62/72/1134496272.db2.gz VDPKAGKITWQLHF-UHFFFAOYSA-N -1 3 333.322 3.717 20 30 EHEDHM COc1cc(C=NNc2cccc3ccccc32)c([N+](=O)[O-])cc1[O-] ZINC000747060521 1134671425 /nfs/dbraw/zinc/67/14/25/1134671425.db2.gz VCTOMBPLBZTVMV-UHFFFAOYSA-N -1 3 337.335 3.908 20 30 EHEDHM C#CC[C@@H](Cc1ccccc1)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000804455477 1135073736 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C=CCCCCCN1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC001195299163 1135409037 /nfs/dbraw/zinc/40/90/37/1135409037.db2.gz LSTJIUWAWSJDNO-OAHLLOKOSA-N -1 3 340.389 3.843 20 30 EHEDHM [O-]c1c(O)ccc(C=Nc2cc(F)cc(Br)c2F)c1O ZINC000775741933 1135603685 /nfs/dbraw/zinc/60/36/85/1135603685.db2.gz URMDKLMPUPLSFY-UHFFFAOYSA-N -1 3 344.111 3.595 20 30 EHEDHM N#Cc1ccc([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)c(C#N)c1 ZINC001199316979 1135897424 /nfs/dbraw/zinc/89/74/24/1135897424.db2.gz OHHKAJDRYDXHPT-UHFFFAOYSA-N -1 3 348.749 3.991 20 30 EHEDHM Cc1ncc(CO)c(/C=N\Cc2ccc(Cl)cc2Cl)c1[O-] ZINC000747707010 1136080187 /nfs/dbraw/zinc/08/01/87/1136080187.db2.gz BPJNBMMBAHOEDH-WSVATBPTSA-N -1 3 325.195 3.514 20 30 EHEDHM O=c1[n-]c(N=NC2CC(c3cc(F)cc(F)c3)C2)nc2ccccc21 ZINC000814868700 1136517818 /nfs/dbraw/zinc/51/78/18/1136517818.db2.gz DZTZLPOJWROZHL-UHFFFAOYSA-N -1 3 340.333 3.959 20 30 EHEDHM N#CCc1ccccc1CC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000776983389 1136906495 /nfs/dbraw/zinc/90/64/95/1136906495.db2.gz NQEWGVQEBQSUOY-UHFFFAOYSA-N -1 3 348.324 3.562 20 30 EHEDHM C#CCCN(Cc1c([O-])cccc1Br)CC(F)(F)F ZINC000862330129 1137138361 /nfs/dbraw/zinc/13/83/61/1137138361.db2.gz QWSVSQCJZNXWNU-UHFFFAOYSA-N -1 3 336.151 3.542 20 30 EHEDHM COC(=O)C[C@H]1CCC(N=Nc2nc3ccccc3[n-]c2=S)[C@@H]1C ZINC000863125420 1137170853 /nfs/dbraw/zinc/17/08/53/1137170853.db2.gz VNUBALYCIHJWGV-GHMZBOCLSA-N -1 3 344.440 3.669 20 30 EHEDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000844665787 1137245485 /nfs/dbraw/zinc/24/54/85/1137245485.db2.gz RHHHIQFOOSXWCV-UHFFFAOYSA-N -1 3 344.436 3.557 20 30 EHEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000845843953 1137312082 /nfs/dbraw/zinc/31/20/82/1137312082.db2.gz OABWVOHSUSBVPL-AEGPPILISA-N -1 3 349.352 3.975 20 30 EHEDHM C=C[C@H](C)O[N-]C(=O)CCc1cccc(OCc2ccccc2)c1 ZINC001144589169 1137313392 /nfs/dbraw/zinc/31/33/92/1137313392.db2.gz JOGGFOAXIQWOOA-INIZCTEOSA-N -1 3 325.408 3.821 20 30 EHEDHM C=C[C@H](C)O[N-]C(=O)CCc1cc(Cl)ccc1Br ZINC000846547194 1137354870 /nfs/dbraw/zinc/35/48/70/1137354870.db2.gz OBISLVWBWXPLTK-VIFPVBQESA-N -1 3 332.625 3.657 20 30 EHEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1c(Cl)cc(C(F)(F)F)cc1Cl ZINC001171366365 1137458034 /nfs/dbraw/zinc/45/80/34/1137458034.db2.gz XIOUYOVVEBWTLW-CDUCUWFYSA-N -1 3 343.132 3.660 20 30 EHEDHM C=CCCC[C@@H](NC(=O)Cc1c(C)nc(C)[n-]c1=O)c1ccccc1 ZINC000882234631 1137824061 /nfs/dbraw/zinc/82/40/61/1137824061.db2.gz SLYGQLJWTDOHRE-GOSISDBHSA-N -1 3 339.439 3.555 20 30 EHEDHM Cc1nnsc1C(=O)[N-]c1sc2c(c1C#N)C[C@@H](C)C[C@@H]2C ZINC000331809946 1137921576 /nfs/dbraw/zinc/92/15/76/1137921576.db2.gz XFTOHHDMGLMTDC-YUMQZZPRSA-N -1 3 332.454 3.718 20 30 EHEDHM C[C@@H](CCOc1ccccc1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000073048739 1138110505 /nfs/dbraw/zinc/11/05/05/1138110505.db2.gz GIICVMMQABGUSE-VIFPVBQESA-N -1 3 328.294 3.517 20 30 EHEDHM C[C@@H](CCOc1ccccc1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000073048739 1138110507 /nfs/dbraw/zinc/11/05/07/1138110507.db2.gz GIICVMMQABGUSE-VIFPVBQESA-N 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/nfs/dbraw/zinc/11/18/50/599111850.db2.gz YSJRKOWQXUJMDJ-MHWRWJLKSA-N -1 3 330.391 3.696 20 30 EHEDHM Cc1cc(C)c(C#N)c(S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737240300 599285677 /nfs/dbraw/zinc/28/56/77/599285677.db2.gz JMQAXVJKLHKLRE-GFCCVEGCSA-N -1 3 336.424 3.604 20 30 EHEDHM Cc1cc(C)c(C#N)c(S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737240300 599285680 /nfs/dbraw/zinc/28/56/80/599285680.db2.gz JMQAXVJKLHKLRE-GFCCVEGCSA-N -1 3 336.424 3.604 20 30 EHEDHM N#Cc1ccc([C@H](N[C@@H]2CCSc3c(F)cccc32)C(=O)[O-])cc1 ZINC000739106245 600591470 /nfs/dbraw/zinc/59/14/70/600591470.db2.gz LCARGBOMSGDTLY-CVEARBPZSA-N -1 3 342.395 3.650 20 30 EHEDHM CC(C)Oc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736491098 600594123 /nfs/dbraw/zinc/59/41/23/600594123.db2.gz JJJHPPXRRHAUDX-AUUYWEPGSA-N -1 3 338.407 3.822 20 30 EHEDHM N#Cc1cccc([C@H](C(=O)[O-])N2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000833074007 601310759 /nfs/dbraw/zinc/31/07/59/601310759.db2.gz MAPUZJRYBZJPNH-LJQANCHMSA-N -1 3 336.366 3.612 20 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JHJTZBKTQXFPFH-RQOWECAXSA-N -1 3 334.763 3.617 20 30 EHEDHM CC[C@@H](C)c1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000820881658 606680689 /nfs/dbraw/zinc/68/06/89/606680689.db2.gz CLMQFTKTPUAWJE-GFCCVEGCSA-N -1 3 346.394 3.504 20 30 EHEDHM CC[C@@H](C)c1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000820881658 606680690 /nfs/dbraw/zinc/68/06/90/606680690.db2.gz CLMQFTKTPUAWJE-GFCCVEGCSA-N -1 3 346.394 3.504 20 30 EHEDHM CC(CC1CCC1)N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820232419 606918249 /nfs/dbraw/zinc/91/82/49/606918249.db2.gz GEASZLBTAXEUDG-UHFFFAOYSA-N -1 3 338.337 3.864 20 30 EHEDHM CC(CC1CCC1)N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820232419 606918250 /nfs/dbraw/zinc/91/82/50/606918250.db2.gz GEASZLBTAXEUDG-UHFFFAOYSA-N -1 3 338.337 3.864 20 30 EHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cc2c(s1)CCCC2 ZINC000822922210 606977933 /nfs/dbraw/zinc/97/79/33/606977933.db2.gz DHSZXHWETOBOBX-FNORWQNLSA-N -1 3 342.449 3.765 20 30 EHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1cc2c(s1)CCCC2 ZINC000822923434 606978078 /nfs/dbraw/zinc/97/80/78/606978078.db2.gz ROVQDGGXANLKJR-YFHOEESVSA-N -1 3 336.420 3.703 20 30 EHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1cc2c(s1)CCCC2 ZINC000822923434 606978080 /nfs/dbraw/zinc/97/80/80/606978080.db2.gz ROVQDGGXANLKJR-YFHOEESVSA-N -1 3 336.420 3.703 20 30 EHEDHM N#Cc1ccc(SCc2ccc(F)c(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000826386187 607845198 /nfs/dbraw/zinc/84/51/98/607845198.db2.gz STBHYIDVCTWJNP-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM N#Cc1ccc(SCc2ccc(F)c(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000826386187 607845199 /nfs/dbraw/zinc/84/51/99/607845199.db2.gz STBHYIDVCTWJNP-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1c[nH]c2cc(Cl)ccc12 ZINC000826402370 607885130 /nfs/dbraw/zinc/88/51/30/607885130.db2.gz RYCNEKANAFVTTO-VMPITWQZSA-N -1 3 349.781 3.898 20 30 EHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1c[nH]c2cc(Cl)ccc12 ZINC000826402370 607885131 /nfs/dbraw/zinc/88/51/31/607885131.db2.gz RYCNEKANAFVTTO-VMPITWQZSA-N -1 3 349.781 3.898 20 30 EHEDHM C=C[C@@H](CC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823882782 607989527 /nfs/dbraw/zinc/98/95/27/607989527.db2.gz DDDHSQDNMQYDGB-CABCVRRESA-N -1 3 348.406 3.831 20 30 EHEDHM C=C[C@@H](CC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823882782 607989528 /nfs/dbraw/zinc/98/95/28/607989528.db2.gz DDDHSQDNMQYDGB-CABCVRRESA-N -1 3 348.406 3.831 20 30 EHEDHM Clc1oc2ccccc2c1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC000826354620 608054301 /nfs/dbraw/zinc/05/43/01/608054301.db2.gz NBBHJOFYDGNHSZ-UHFFFAOYSA-N -1 3 338.758 3.712 20 30 EHEDHM Clc1oc2ccccc2c1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC000826354620 608054302 /nfs/dbraw/zinc/05/43/02/608054302.db2.gz NBBHJOFYDGNHSZ-UHFFFAOYSA-N -1 3 338.758 3.712 20 30 EHEDHM CC(=NNc1cccc2ccccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000823962589 608094849 /nfs/dbraw/zinc/09/48/49/608094849.db2.gz LOJUAFLKLUQJFK-UHFFFAOYSA-N -1 3 334.408 3.918 20 30 EHEDHM CCCCCC1=C(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)CCC1 ZINC000825267169 608538778 /nfs/dbraw/zinc/53/87/78/608538778.db2.gz JCEDXTDNBTYDAF-UHFFFAOYSA-N -1 3 345.838 3.984 20 30 EHEDHM CCCCCC1=C(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)CCC1 ZINC000825267169 608538780 /nfs/dbraw/zinc/53/87/80/608538780.db2.gz JCEDXTDNBTYDAF-UHFFFAOYSA-N -1 3 345.838 3.984 20 30 EHEDHM O=C(C=Cc1cscc1Cl)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826403446 609132784 /nfs/dbraw/zinc/13/27/84/609132784.db2.gz SFUUMMVOJMFZKY-RQOWECAXSA-N -1 3 334.763 3.617 20 30 EHEDHM O=C(C=Cc1cscc1Cl)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826403446 609132785 /nfs/dbraw/zinc/13/27/85/609132785.db2.gz SFUUMMVOJMFZKY-RQOWECAXSA-N -1 3 334.763 3.617 20 30 EHEDHM O=C(C=Cc1ccccc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000826401748 609273080 /nfs/dbraw/zinc/27/30/80/609273080.db2.gz FZNPGTHJJGEXRQ-SOFGYWHQSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1ccccc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000826401748 609273081 /nfs/dbraw/zinc/27/30/81/609273081.db2.gz FZNPGTHJJGEXRQ-SOFGYWHQSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C1c2c3ccccc3[nH]c2CCC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826475426 609369934 /nfs/dbraw/zinc/36/99/34/609369934.db2.gz GBASMGPMKCKRJX-ACCUITESSA-N -1 3 341.374 3.561 20 30 EHEDHM O=C1c2c3ccccc3[nH]c2CCC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826475426 609369936 /nfs/dbraw/zinc/36/99/36/609369936.db2.gz GBASMGPMKCKRJX-ACCUITESSA-N -1 3 341.374 3.561 20 30 EHEDHM CC(CSC(C)(C)C)N=Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824450136 609471206 /nfs/dbraw/zinc/47/12/06/609471206.db2.gz SGBTVXKUJXWDDO-UHFFFAOYSA-N -1 3 338.868 3.840 20 30 EHEDHM CC(CSC(C)(C)C)N=Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824450136 609471207 /nfs/dbraw/zinc/47/12/07/609471207.db2.gz SGBTVXKUJXWDDO-UHFFFAOYSA-N -1 3 338.868 3.840 20 30 EHEDHM Clc1cc(NN=Cc2ccc3ccccc3n2)ccc1-c1nnn[n-]1 ZINC000826351515 609471450 /nfs/dbraw/zinc/47/14/50/609471450.db2.gz PORZYHXBMBXJQS-UHFFFAOYSA-N -1 3 349.785 3.514 20 30 EHEDHM Clc1cc(NN=Cc2ccc3ccccc3n2)ccc1-c1nn[n-]n1 ZINC000826351515 609471453 /nfs/dbraw/zinc/47/14/53/609471453.db2.gz PORZYHXBMBXJQS-UHFFFAOYSA-N -1 3 349.785 3.514 20 30 EHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1sccc1C ZINC000823958826 609473075 /nfs/dbraw/zinc/47/30/75/609473075.db2.gz YDPKIRCSBZUXHC-UHFFFAOYSA-N -1 3 332.820 3.726 20 30 EHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1sccc1C ZINC000823958826 609473076 /nfs/dbraw/zinc/47/30/76/609473076.db2.gz YDPKIRCSBZUXHC-UHFFFAOYSA-N -1 3 332.820 3.726 20 30 EHEDHM CCSc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000825673779 947287032 /nfs/dbraw/zinc/28/70/32/947287032.db2.gz BTPYYANIXISHJV-FPLPWBNLSA-N -1 3 342.449 3.936 20 30 EHEDHM CCSc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000825673779 947287041 /nfs/dbraw/zinc/28/70/41/947287041.db2.gz BTPYYANIXISHJV-FPLPWBNLSA-N -1 3 342.449 3.936 20 30 EHEDHM N#Cc1c(Cl)cccc1SCc1ccc(F)cc1-c1nnn[n-]1 ZINC000826382918 948179852 /nfs/dbraw/zinc/17/98/52/948179852.db2.gz AQOULKLJWWGOPG-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM N#Cc1c(Cl)cccc1SCc1ccc(F)cc1-c1nn[n-]n1 ZINC000826382918 948179857 /nfs/dbraw/zinc/17/98/57/948179857.db2.gz AQOULKLJWWGOPG-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM N#Cc1cc(F)ccc1CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000826384431 948185966 /nfs/dbraw/zinc/18/59/66/948185966.db2.gz VIOYCACNUWGIFK-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM N#Cc1cc(F)ccc1CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000826384431 948185970 /nfs/dbraw/zinc/18/59/70/948185970.db2.gz VIOYCACNUWGIFK-UHFFFAOYSA-N -1 3 345.790 3.823 20 30 EHEDHM O=C(C=Cc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826401099 948220319 /nfs/dbraw/zinc/22/03/19/948220319.db2.gz PMCNLNUEVDIDBR-QPJJXVBHSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826401099 948220329 /nfs/dbraw/zinc/22/03/29/948220329.db2.gz PMCNLNUEVDIDBR-QPJJXVBHSA-N -1 3 328.734 3.555 20 30 EHEDHM C#Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)cc1 ZINC001588517064 983563066 /nfs/dbraw/zinc/56/30/66/983563066.db2.gz JIMIGETWWNQHSR-INIZCTEOSA-N -1 3 333.309 3.602 20 30 EHEDHM N#C[C@H]([N-]C(=O)c1c(F)c(F)cc(F)c1F)c1ccccc1Cl ZINC000179550143 1015440586 /nfs/dbraw/zinc/44/05/86/1015440586.db2.gz BPHVNFVFMJPAJC-NSHDSACASA-N -1 3 342.679 3.891 20 30 EHEDHM CCc1cc(C#N)c([N-]C(=O)c2nscc2Br)s1 ZINC001125352043 1016969487 /nfs/dbraw/zinc/96/94/87/1016969487.db2.gz VXCYOURCDOUSGM-UHFFFAOYSA-N -1 3 342.243 3.653 20 30 EHEDHM N#C[C@H]([N-]C(=O)c1c(F)c(F)cc(F)c1F)c1ccc(Cl)cc1 ZINC000159360529 1032264869 /nfs/dbraw/zinc/26/48/69/1032264869.db2.gz PHOYZNGDTJKCCJ-NSHDSACASA-N -1 3 342.679 3.891 20 30 EHEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c(F)c1 ZINC000135363794 1022619656 /nfs/dbraw/zinc/61/96/56/1022619656.db2.gz JPOVKEWRTITDCB-UHFFFAOYSA-N -1 3 345.182 3.805 20 30 EHEDHM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000431182615 1023399216 /nfs/dbraw/zinc/39/92/16/1023399216.db2.gz OYHUGRKVNNZICT-UHFFFAOYSA-N -1 3 344.436 3.702 20 30 EHEDHM Cc1oc(C#N)cc1C(=O)[N-]c1nnc(-c2cccc(Cl)c2)s1 ZINC000435683496 1025066562 /nfs/dbraw/zinc/06/65/62/1025066562.db2.gz IDVKYLPKPXJGEI-UHFFFAOYSA-N -1 3 344.783 3.884 20 30 EHEDHM COc1ncc(C([O-])=C(C#N)c2nccc3ccccc32)cc1Cl ZINC000342387038 1025149661 /nfs/dbraw/zinc/14/96/61/1025149661.db2.gz IIAIHMOCLPJRSV-CQSZACIVSA-N -1 3 337.766 3.782 20 30 EHEDHM C=CCN1CCC(NC(=O)c2cc(Cl)c3ccccc3c2[O-])CC1 ZINC000436557373 1025868597 /nfs/dbraw/zinc/86/85/97/1025868597.db2.gz NOZBBBMIULGBHF-UHFFFAOYSA-N -1 3 344.842 3.579 20 30 EHEDHM C=CCCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000443423085 1026021487 /nfs/dbraw/zinc/02/14/87/1026021487.db2.gz PIFVERPXMQYUFL-UHFFFAOYSA-N -1 3 329.421 3.541 20 30 EHEDHM Cc1ccc(Cc2nc(C([O-])=C(C#N)c3ccccn3)cs2)cc1 ZINC000131185713 1027747112 /nfs/dbraw/zinc/74/71/12/1027747112.db2.gz DFVDLTNEOAZFNH-OAHLLOKOSA-N -1 3 333.416 3.927 20 30 EHEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000523882483 1028698941 /nfs/dbraw/zinc/69/89/41/1028698941.db2.gz PMIRJPKQXXKBEA-QMMMGPOBSA-N -1 3 327.755 3.602 20 30 EHEDHM Cc1csc(C(C#N)=C([O-])c2ccc(NC(=O)[C@H]3C[C@H]3C)cc2)n1 ZINC000248766807 1028948659 /nfs/dbraw/zinc/94/86/59/1028948659.db2.gz OAOOZTBHXMOETC-WKPIXPDZSA-N -1 3 339.420 3.536 20 30 EHEDHM N#CC(=C([O-])c1ccc2c(n1)CCCC2)c1ccc(C(F)(F)F)cn1 ZINC000533086960 1029313059 /nfs/dbraw/zinc/31/30/59/1029313059.db2.gz MFVDOVPATZAQMX-CYBMUJFWSA-N -1 3 345.324 3.864 20 30 EHEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000899976487 1030012253 /nfs/dbraw/zinc/01/22/53/1030012253.db2.gz YGOKCZZLAXTSRC-UHFFFAOYSA-N -1 3 349.843 3.603 20 30 EHEDHM O=C(c1occ2c1CCOC2)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904179853 1031803989 /nfs/dbraw/zinc/80/39/89/1031803989.db2.gz CYUKEMCIXYFLLV-UHFFFAOYSA-N -1 3 342.178 3.691 20 30 EHEDHM Cc1nccn1CCCC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904182449 1031805204 /nfs/dbraw/zinc/80/52/04/1031805204.db2.gz DIYAXGYAECRKRX-UHFFFAOYSA-N -1 3 342.226 3.697 20 30 EHEDHM CC(C)(Cc1nc2ccccc2[nH]1)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904173684 1031822551 /nfs/dbraw/zinc/82/25/51/1031822551.db2.gz OLSRJLOZHQGJJX-UHFFFAOYSA-N -1 3 341.386 3.689 20 30 EHEDHM CCCCN([O-])C(=O)C1CCN(c2nc3ccccc3s2)CC1 ZINC000904209962 1031831838 /nfs/dbraw/zinc/83/18/38/1031831838.db2.gz BSHDSPNCAGWKAV-UHFFFAOYSA-N -1 3 333.457 3.531 20 30 EHEDHM C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1cccc(C2CC2)c1 ZINC000593602064 1033415570 /nfs/dbraw/zinc/41/55/70/1033415570.db2.gz BTTGYKBGDQLQMQ-LLVKDONJSA-N -1 3 332.450 3.537 20 30 EHEDHM CCCCOc1ccc(C(=O)N2Cc3cccc(C#N)c3C2)c([O-])c1 ZINC000593888252 1034788669 /nfs/dbraw/zinc/78/86/69/1034788669.db2.gz HAEHHLYQDQVEKQ-UHFFFAOYSA-N -1 3 336.391 3.599 20 30 EHEDHM CCCc1nc(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](C)C3)co1 ZINC000548935338 1035004729 /nfs/dbraw/zinc/00/47/29/1035004729.db2.gz VBIAYRWWDYCSDJ-SNVBAGLBSA-N -1 3 329.425 3.937 20 30 EHEDHM CCc1cc(C#N)c([N-]C(=O)c2cnc([C@@H]3CCCO3)s2)s1 ZINC000089778065 1036632026 /nfs/dbraw/zinc/63/20/26/1036632026.db2.gz UZMGGYKRRWXXIC-NSHDSACASA-N -1 3 333.438 3.742 20 30 EHEDHM COc1cc(C([O-])=C(C#N)c2nc(C)cs2)ccc1OC(F)F ZINC000041521843 1038116270 /nfs/dbraw/zinc/11/62/70/1038116270.db2.gz VRTVLJMNAUGKGK-JTQLQIEISA-N -1 3 338.335 3.552 20 30 EHEDHM 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CCc1cc(=O)[n-]c(-c2cccc(N=Cc3cccc(O)c3O)c2)n1 ZINC000915983177 1122008141 /nfs/dbraw/zinc/00/81/41/1122008141.db2.gz SDVJUNVPLVJZGB-UHFFFAOYSA-N -1 3 335.363 3.573 20 30 EHEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1Cl ZINC000077688222 1129056696 /nfs/dbraw/zinc/05/66/96/1129056696.db2.gz LIMSYJCRNNVCCQ-UHFFFAOYSA-N -1 3 345.182 3.805 20 30 EHEDHM [O-]c1ccc(Cl)cc1/C=N/Cc1cccc(Cn2cccn2)c1 ZINC000917558557 1122631935 /nfs/dbraw/zinc/63/19/35/1122631935.db2.gz XODVWKJCGXQMLZ-UDWIEESQSA-N -1 3 325.799 3.910 20 30 EHEDHM CCOc1cc(CN=Nc2ncccc2Cl)cc(Cl)c1[O-] ZINC000917548656 1122634792 /nfs/dbraw/zinc/63/47/92/1122634792.db2.gz DBDHJLDMPLTCOY-UHFFFAOYSA-N -1 3 326.183 3.939 20 30 EHEDHM CC(=[NH+][N-]c1nc[n-]c2ncnc1-2)c1ccc(N2CCCCCC2)cc1 ZINC000917555508 1122636312 /nfs/dbraw/zinc/63/63/12/1122636312.db2.gz SVLOJPHDPFDWGE-UHFFFAOYSA-N -1 3 349.442 3.569 20 30 EHEDHM CC(=NNc1[n-]cnc2ncnc1-2)c1ccc(N2CCCCCC2)cc1 ZINC000917555508 1122636316 /nfs/dbraw/zinc/63/63/16/1122636316.db2.gz SVLOJPHDPFDWGE-UHFFFAOYSA-N -1 3 349.442 3.569 20 30 EHEDHM Cc1nn(-c2ccc(Cl)cc2)cc1C([O-])=C(C#N)c1ccccn1 ZINC000076824281 1123520761 /nfs/dbraw/zinc/52/07/61/1123520761.db2.gz DLYQFSNWYSRRBQ-OAHLLOKOSA-N -1 3 336.782 3.719 20 30 EHEDHM Cc1cc(C([O-])=C(C#N)c2ccccn2)nc(-c2ccc(Cl)cc2)n1 ZINC000136539100 1123704198 /nfs/dbraw/zinc/70/41/98/1123704198.db2.gz DMFKLDKXJYGOKA-OAHLLOKOSA-N -1 3 348.793 3.991 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@H](C)c1ccccc1 ZINC000735129155 1131309985 /nfs/dbraw/zinc/30/99/85/1131309985.db2.gz HHZORLGXLYMQPQ-CYBMUJFWSA-N -1 3 338.407 3.555 20 30 EHEDHM COc1ccccc1-c1nc(C([O-])=C(C#N)c2ccccn2)cs1 ZINC000057741335 1129914406 /nfs/dbraw/zinc/91/44/06/1129914406.db2.gz QELLMGRVUJMHSN-CYBMUJFWSA-N -1 3 335.388 3.704 20 30 EHEDHM Cc1ncc(CO)c(/C=N/CC2CCC(c3ccccc3)CC2)c1[O-] ZINC000730951012 1130753028 /nfs/dbraw/zinc/75/30/28/1130753028.db2.gz ITHLWDJLFMOOLC-LPYMAVHISA-N -1 3 338.451 3.981 20 30 EHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1scnc1C 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KRSZQAFRMNGITP-UHFFFAOYSA-N -1 3 330.400 3.939 20 30 EHEDHM C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cnc(C)[n-]c2=O)c1 ZINC001189254767 1134558955 /nfs/dbraw/zinc/55/89/55/1134558955.db2.gz BYPYLCNMDPMOPC-UHFFFAOYSA-N -1 3 326.400 3.581 20 30 EHEDHM C#Cc1ccc(NC(=O)c2cccc(OC(F)(F)F)c2[O-])cc1F ZINC001189765987 1134624795 /nfs/dbraw/zinc/62/47/95/1134624795.db2.gz GWEJPYSPYURLML-UHFFFAOYSA-N -1 3 339.244 3.664 20 30 EHEDHM C=C(C)Cc1ccc(C(=O)Nc2cc(F)c([O-])cc2C(=O)OC)cc1 ZINC001190231929 1134669301 /nfs/dbraw/zinc/66/93/01/1134669301.db2.gz PEAVZDQYLMLBOU-UHFFFAOYSA-N -1 3 343.354 3.689 20 30 EHEDHM Cc1nc(C(F)(F)F)c(C(=O)[N-]c2ccc(F)c(C#N)c2F)s1 ZINC001190498103 1134713999 /nfs/dbraw/zinc/71/39/99/1134713999.db2.gz IGWDJUAGXMKART-UHFFFAOYSA-N -1 3 347.268 3.873 20 30 EHEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cnnn1Cc1ccccc1 ZINC000792868121 1134803543 /nfs/dbraw/zinc/80/35/43/1134803543.db2.gz CGRXHEGHUGEFJE-ZENNRRHLSA-N -1 3 349.365 3.555 20 30 EHEDHM COc1ccc(C=NN[C@@H](C)C(C)(C)C)c(Br)c1[O-] ZINC000793116332 1134856912 /nfs/dbraw/zinc/85/69/12/1134856912.db2.gz XCIGYDUKVBXMEQ-VIFPVBQESA-N -1 3 329.238 3.521 20 30 EHEDHM Cc1ccc([C@H]([N-]C(=O)c2c(F)cc(C#N)cc2F)C(F)(F)F)o1 ZINC001130466956 1135361943 /nfs/dbraw/zinc/36/19/43/1135361943.db2.gz RVINTKBJENYNEE-ZDUSSCGKSA-N -1 3 344.239 3.771 20 30 EHEDHM N#Cc1cc([N-]C(=O)c2ccoc2Cl)c(Cl)c([N+](=O)[O-])c1 ZINC000764858387 1135577786 /nfs/dbraw/zinc/57/77/86/1135577786.db2.gz SUZIATFIJLWSAN-UHFFFAOYSA-N -1 3 326.095 3.619 20 30 EHEDHM CC(C)(C)c1nnc([N-]C(=O)c2ccc(-c3ccc(C#N)cc3)o2)o1 ZINC001197386557 1135682355 /nfs/dbraw/zinc/68/23/55/1135682355.db2.gz ITBMDLOPIGCAQY-UHFFFAOYSA-N -1 3 336.351 3.751 20 30 EHEDHM N#CC(=C([O-])C=C1CCSCC1)c1cc(C(F)(F)F)ccn1 ZINC000813211811 1136303263 /nfs/dbraw/zinc/30/32/63/1136303263.db2.gz QWJLHSNTPYVFCE-GFCCVEGCSA-N -1 3 326.343 3.730 20 30 EHEDHM CCCC(N=Nc1nc2ccccc2c(=O)[n-]1)c1ccc(OC)cc1 ZINC000814869380 1136518086 /nfs/dbraw/zinc/51/80/86/1136518086.db2.gz YBNOHTMOGLKPHY-UHFFFAOYSA-N -1 3 336.395 3.960 20 30 EHEDHM CC1(C)[C@@]2(C)CC[C@]1(C([O-])=C(C#N)c1nccc3ccccc31)OC2=O ZINC000860703005 1137073927 /nfs/dbraw/zinc/07/39/27/1137073927.db2.gz VUOXKIKYSPUWKH-ONGXBYRLSA-N -1 3 348.402 3.533 20 30 EHEDHM COc1cccc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1[O-] ZINC001136730692 1137102892 /nfs/dbraw/zinc/10/28/92/1137102892.db2.gz YLXGONKFCKHFLT-LBPRGKRZSA-N -1 3 342.420 3.905 20 30 EHEDHM [O-]c1ccc(F)c(C=NNc2cccc(Br)c2)c1F ZINC000794490221 1137170091 /nfs/dbraw/zinc/17/00/91/1137170091.db2.gz LQKXKVRTACHNLU-UHFFFAOYSA-N -1 3 327.128 3.879 20 30 EHEDHM COc1cc(/C=C2/COc3cc(F)ccc3C2=O)cc(Cl)c1[O-] ZINC000794726369 1137241491 /nfs/dbraw/zinc/24/14/91/1137241491.db2.gz BRFDBJGWHPNJHG-WMZJFQQLSA-N -1 3 334.730 3.852 20 30 EHEDHM O=C1CCCC(=O)N1c1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000794835853 1137275746 /nfs/dbraw/zinc/27/57/46/1137275746.db2.gz ZHWPEOQLXVZORH-UHFFFAOYSA-N -1 3 342.782 3.840 20 30 EHEDHM C[C@H](NCc1cccnc1OC1CCCC1)c1cccc(C#N)c1[O-] ZINC000866230907 1137336814 /nfs/dbraw/zinc/33/68/14/1137336814.db2.gz HYGVWEUOPHDATM-AWEZNQCLSA-N -1 3 337.423 3.831 20 30 EHEDHM C=C[C@H](C)O[N-]C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 ZINC000846543642 1137354818 /nfs/dbraw/zinc/35/48/18/1137354818.db2.gz APWSPFBLVBWINP-VIFPVBQESA-N -1 3 344.358 3.870 20 30 EHEDHM COc1cnc(F)c(C(=O)[N-]c2sc3c(c2C#N)CCCCC3)c1 ZINC000846768744 1137366570 /nfs/dbraw/zinc/36/65/70/1137366570.db2.gz QMRXLYBPTVZIIG-UHFFFAOYSA-N -1 3 345.399 3.684 20 30 EHEDHM Cc1cc(N=Cc2cc(Cl)ccc2[O-])ccc1N1CCOCC1 ZINC000585656547 1137455492 /nfs/dbraw/zinc/45/54/92/1137455492.db2.gz DQTLECPQRBIECB-UHFFFAOYSA-N -1 3 330.815 3.941 20 30 EHEDHM C=CCOc1ccccc1[C@H](C)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001171376227 1137462484 /nfs/dbraw/zinc/46/24/84/1137462484.db2.gz QNQRQMQCCBECFI-LBPRGKRZSA-N -1 3 339.374 3.744 20 30 EHEDHM C=CCOc1ccccc1[C@H](C)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001171376227 1137462486 /nfs/dbraw/zinc/46/24/86/1137462486.db2.gz QNQRQMQCCBECFI-LBPRGKRZSA-N -1 3 339.374 3.744 20 30 EHEDHM Cc1cc(C(=O)/C=C/c2ccc3c(c2)sc(=O)n3C)ccc1[O-] ZINC000773140184 1137469029 /nfs/dbraw/zinc/46/90/29/1137469029.db2.gz PPPHEHGSWJCQLQ-QPJJXVBHSA-N -1 3 325.389 3.510 20 30 EHEDHM CCOCc1cc(/C=C\C(=O)c2ccc([O-])c(OC)c2)ccc1OC ZINC000210530377 1137765683 /nfs/dbraw/zinc/76/56/83/1137765683.db2.gz AQSSPGZULDHJFS-YVMONPNESA-N -1 3 342.391 3.842 20 30 EHEDHM CCCCCCCCC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821048340 599509751 /nfs/dbraw/zinc/50/97/51/599509751.db2.gz AVSLQTZHVUKAPZ-AWEZNQCLSA-N -1 3 329.448 3.795 20 30 EHEDHM CCCCCCCCC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821048340 599509752 /nfs/dbraw/zinc/50/97/52/599509752.db2.gz AVSLQTZHVUKAPZ-AWEZNQCLSA-N -1 3 329.448 3.795 20 30 EHEDHM CC(C)COc1cccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000736448649 600595512 /nfs/dbraw/zinc/59/55/12/600595512.db2.gz NKVGPFWTMMYEEQ-IBGZPJMESA-N -1 3 338.407 3.509 20 30 EHEDHM N#Cc1ccc([C@@H](N[C@@H]2CCc3c2cccc3Cl)C(=O)[O-])cc1 ZINC000739105672 600596164 /nfs/dbraw/zinc/59/61/64/600596164.db2.gz IMOZOPPCCDPGCX-IAGOWNOFSA-N -1 3 326.783 3.614 20 30 EHEDHM N#Cc1cccc(-c2csc(Nc3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000826386412 607644913 /nfs/dbraw/zinc/64/49/13/607644913.db2.gz COBXSSSKKAXTOM-UHFFFAOYSA-N -1 3 345.391 3.605 20 30 EHEDHM CC(C)(C(=O)[O-])[C@H](NCC#Cc1ccc(F)cc1)c1ccccc1 ZINC000833415895 605178409 /nfs/dbraw/zinc/17/84/09/605178409.db2.gz YMRDMAABSSQUKN-GOSISDBHSA-N -1 3 325.383 3.619 20 30 EHEDHM CC[C@H](C)c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000820882387 606680547 /nfs/dbraw/zinc/68/05/47/606680547.db2.gz QLRKXXMUDROREM-LBPRGKRZSA-N -1 3 346.394 3.504 20 30 EHEDHM CC[C@H](C)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000820882387 606680548 /nfs/dbraw/zinc/68/05/48/606680548.db2.gz QLRKXXMUDROREM-LBPRGKRZSA-N -1 3 346.394 3.504 20 30 EHEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(F)c(Cl)c1 ZINC000826402633 607884592 /nfs/dbraw/zinc/88/45/92/607884592.db2.gz YQRZCXDVKFVJLC-VURMDHGXSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(F)c(Cl)c1 ZINC000826402633 607884593 /nfs/dbraw/zinc/88/45/93/607884593.db2.gz YQRZCXDVKFVJLC-VURMDHGXSA-N -1 3 328.734 3.555 20 30 EHEDHM C=C[C@@H](CC(=O)N(CC)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823883679 608005031 /nfs/dbraw/zinc/00/50/31/608005031.db2.gz XKEZIIJPHDOREL-HNNXBMFYSA-N -1 3 347.422 3.580 20 30 EHEDHM C=C[C@@H](CC(=O)N(CC)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823883679 608005032 /nfs/dbraw/zinc/00/50/32/608005032.db2.gz XKEZIIJPHDOREL-HNNXBMFYSA-N -1 3 347.422 3.580 20 30 EHEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)[C@H](C)c1ccccc1 ZINC000823953770 608539787 /nfs/dbraw/zinc/53/97/87/608539787.db2.gz PQGPEPVRXXDRPD-JTQLQIEISA-N -1 3 341.806 3.507 20 30 EHEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)[C@H](C)c1ccccc1 ZINC000823953770 608539789 /nfs/dbraw/zinc/53/97/89/608539789.db2.gz PQGPEPVRXXDRPD-JTQLQIEISA-N -1 3 341.806 3.507 20 30 EHEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(C)s1 ZINC000823958131 609470200 /nfs/dbraw/zinc/47/02/00/609470200.db2.gz DNAKVHDJRSLTDP-UHFFFAOYSA-N -1 3 332.820 3.726 20 30 EHEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(C)s1 ZINC000823958131 609470203 /nfs/dbraw/zinc/47/02/03/609470203.db2.gz DNAKVHDJRSLTDP-UHFFFAOYSA-N -1 3 332.820 3.726 20 30 EHEDHM Clc1cc(NN=Cc2ccc3ncccc3c2)ccc1-c1nnn[n-]1 ZINC000826351494 609473947 /nfs/dbraw/zinc/47/39/47/609473947.db2.gz OPPRMIDLYXCXRB-UHFFFAOYSA-N -1 3 349.785 3.514 20 30 EHEDHM Clc1cc(NN=Cc2ccc3ncccc3c2)ccc1-c1nn[n-]n1 ZINC000826351494 609473948 /nfs/dbraw/zinc/47/39/48/609473948.db2.gz OPPRMIDLYXCXRB-UHFFFAOYSA-N -1 3 349.785 3.514 20 30 EHEDHM O=C(C=Cc1c(F)cccc1Cl)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400334 948217487 /nfs/dbraw/zinc/21/74/87/948217487.db2.gz WCVKIVZTCDIJQF-VOTSOKGWSA-N -1 3 346.724 3.694 20 30 EHEDHM O=C(C=Cc1c(F)cccc1Cl)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400334 948217492 /nfs/dbraw/zinc/21/74/92/948217492.db2.gz WCVKIVZTCDIJQF-VOTSOKGWSA-N -1 3 346.724 3.694 20 30 EHEDHM O=C(C=Cc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826401098 948220470 /nfs/dbraw/zinc/22/04/70/948220470.db2.gz PMCNLNUEVDIDBR-DAXSKMNVSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826401098 948220476 /nfs/dbraw/zinc/22/04/76/948220476.db2.gz PMCNLNUEVDIDBR-DAXSKMNVSA-N -1 3 328.734 3.555 20 30 EHEDHM C#CCN(Cc1ccc(C2(C(=O)[O-])CC2)cc1)[C@H]1CCc2ccccc21 ZINC001573311875 962715748 /nfs/dbraw/zinc/71/57/48/962715748.db2.gz ZSHBUJYVLPXXTJ-NRFANRHFSA-N -1 3 345.442 3.926 20 30 EHEDHM C=C[C@@H](C(=O)[O-])N(C)Cc1ccccc1Oc1ccc(C)cc1OC ZINC001573345168 962929166 /nfs/dbraw/zinc/92/91/66/962929166.db2.gz JFYCJFROXFXGOB-INIZCTEOSA-N -1 3 341.407 3.867 20 30 EHEDHM C=CCN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CC1CCCCC1 ZINC000593737840 974985736 /nfs/dbraw/zinc/98/57/36/974985736.db2.gz WLWYQAKXKQPGPT-UHFFFAOYSA-N -1 3 332.400 3.861 20 30 EHEDHM C=CC[C@H]1CCCN(Cc2ccc(C(=O)[O-])cc2Br)C1 ZINC000656760710 975688043 /nfs/dbraw/zinc/68/80/43/975688043.db2.gz XYTRQHBLOQKGSB-LBPRGKRZSA-N -1 3 338.245 3.935 20 30 EHEDHM C[C@@H](CN(CC#Cc1ccc(Cl)cc1)Cc1ccccc1)C(=O)[O-] ZINC001592593141 978524518 /nfs/dbraw/zinc/52/45/18/978524518.db2.gz WJQJRXSHWJVZJK-INIZCTEOSA-N -1 3 341.838 3.914 20 30 EHEDHM C#CCN(Cc1oc(Br)cc1C(=O)[O-])C1CCCCC1 ZINC001588471623 983506443 /nfs/dbraw/zinc/50/64/43/983506443.db2.gz TYUXLTBGYZPGBQ-UHFFFAOYSA-N -1 3 340.217 3.508 20 30 EHEDHM CCN(Cc1cc(C(=O)[O-])ccc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC001596356227 983824340 /nfs/dbraw/zinc/82/43/40/983824340.db2.gz MNPCBYOAZQJXLR-CQSZACIVSA-N -1 3 338.407 3.848 20 30 EHEDHM CC(C)CC(=O)Nc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1 ZINC000255036698 1015860340 /nfs/dbraw/zinc/86/03/40/1015860340.db2.gz HRKMLRKDNUEXLM-UHFFFAOYSA-N -1 3 328.368 3.539 20 30 EHEDHM C[C@H](CC#N)Sc1ccccc1N=Cc1ccc(O)c([O-])c1O ZINC000255233639 1020170277 /nfs/dbraw/zinc/17/02/77/1020170277.db2.gz UBXYJAFQUBAHBC-LLVKDONJSA-N -1 3 328.393 3.948 20 30 EHEDHM Cc1cccc2nc(C(C#N)=C([O-])c3cc([N+](=O)[O-])ccc3C)[nH]c21 ZINC000345365364 1020188097 /nfs/dbraw/zinc/18/80/97/1020188097.db2.gz AMVXXNMBCFJWGW-CQSZACIVSA-N -1 3 334.335 3.578 20 30 EHEDHM CCc1ccc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c([O-])c1 ZINC000436835843 1021270192 /nfs/dbraw/zinc/27/01/92/1021270192.db2.gz XKMLWGAOTNQINH-MOPGFXCFSA-N -1 3 334.419 3.867 20 30 EHEDHM Cc1ccc(-c2nc(C(=O)[N-]c3snc(C)c3C#N)cs2)o1 ZINC000439293070 1021330227 /nfs/dbraw/zinc/33/02/27/1021330227.db2.gz GDBQTGYNQFHDGH-UHFFFAOYSA-N -1 3 330.394 3.600 20 30 EHEDHM Cc1ncc(CO)c(/C=N/[C@H](c2ccc(Cl)cc2)C2CC2)c1[O-] ZINC000018138030 1022057042 /nfs/dbraw/zinc/05/70/42/1022057042.db2.gz SDQUIAOPPYMRHG-AAWXNRKFSA-N -1 3 330.815 3.812 20 30 EHEDHM C[C@@H](C(=O)[N-][C@H](C#N)c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000080176684 1033112309 /nfs/dbraw/zinc/11/23/09/1033112309.db2.gz JZQUETLSEHRMGC-QUBYGPBYSA-N -1 3 325.117 3.873 20 30 EHEDHM N#CC1([N-]S(=O)(=O)Cc2c(Cl)cccc2Cl)CCCCC1 ZINC000194653444 1024439745 /nfs/dbraw/zinc/43/97/45/1024439745.db2.gz BMUCBHCGBLRKMV-UHFFFAOYSA-N -1 3 347.267 3.639 20 30 EHEDHM Cc1cc(Br)c(F)cc1N=Cc1ccc(O)c([O-])c1O ZINC000588488942 1024541277 /nfs/dbraw/zinc/54/12/77/1024541277.db2.gz VJNYVSNKACCPCU-UHFFFAOYSA-N -1 3 340.148 3.764 20 30 EHEDHM C=CCC[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1 ZINC000435755305 1025134499 /nfs/dbraw/zinc/13/44/99/1025134499.db2.gz IJDQEABVLPPGCV-KRWDZBQOSA-N -1 3 332.403 3.965 20 30 EHEDHM C=CCn1c(=O)[n-]nc1SCc1nc(-c2ccccc2)cs1 ZINC000436209100 1025461483 /nfs/dbraw/zinc/46/14/83/1025461483.db2.gz LKIUMYXVYFQDLT-UHFFFAOYSA-N -1 3 330.438 3.586 20 30 EHEDHM CC(=NNC(=S)Nc1ccc(C)c(C)c1)c1ccc([O-])c(F)c1 ZINC000728427094 1026341620 /nfs/dbraw/zinc/34/16/20/1026341620.db2.gz IDFPLIHKMDXVNR-UHFFFAOYSA-N -1 3 331.416 3.859 20 30 EHEDHM Cn1cc(C([O-])=C(C#N)c2ccccn2)c(-c2ccccc2Cl)n1 ZINC000066729258 1028336830 /nfs/dbraw/zinc/33/68/30/1028336830.db2.gz FIIBIQNYAHJEAS-ZDUSSCGKSA-N -1 3 336.782 3.626 20 30 EHEDHM Cc1noc(C(C)C)c1[N-]C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000928784604 1029663254 /nfs/dbraw/zinc/66/32/54/1029663254.db2.gz KUPRGSIXBITGEH-UHFFFAOYSA-N -1 3 338.289 3.644 20 30 EHEDHM Cc1c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cnn1CCC(C)C ZINC000160053154 1030501778 /nfs/dbraw/zinc/50/17/78/1030501778.db2.gz BREMASDQINIZPE-AWEZNQCLSA-N -1 3 335.411 3.604 20 30 EHEDHM C=CCC1(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CCCCC1 ZINC000648431407 1030901878 /nfs/dbraw/zinc/90/18/78/1030901878.db2.gz VOVDEZQPNOITEW-UHFFFAOYSA-N -1 3 349.784 3.986 20 30 EHEDHM C[C@H](C(=O)N([O-])Cc1ccc(F)cc1)[C@H]1OCCc2sccc21 ZINC000904177817 1031828871 /nfs/dbraw/zinc/82/88/71/1031828871.db2.gz OQKARXOBCAPQLJ-MEDUHNTESA-N -1 3 335.400 3.555 20 30 EHEDHM CCCCCCN([O-])C(=O)C1CCC(OC[C@@H]2CCCO2)CC1 ZINC000904206562 1031832010 /nfs/dbraw/zinc/83/20/10/1031832010.db2.gz BRWLCSYIFXPPOZ-JCYILVPMSA-N -1 3 327.465 3.539 20 30 EHEDHM CC(C)(O)C1CCC(C(=O)N([O-])Cc2ccccc2Cl)CC1 ZINC000904192382 1031838781 /nfs/dbraw/zinc/83/87/81/1031838781.db2.gz JWYRJLWXWYCAQY-UHFFFAOYSA-N -1 3 325.836 3.635 20 30 EHEDHM N#Cc1c([N-]C(=O)c2ncnc3ccsc32)sc2c1CCCC2 ZINC000598799623 1033467548 /nfs/dbraw/zinc/46/75/48/1033467548.db2.gz IGJCPNHQULNKBO-UHFFFAOYSA-N -1 3 340.433 3.756 20 30 EHEDHM N#Cc1ccc(CCC(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000603626660 1033814694 /nfs/dbraw/zinc/81/46/94/1033814694.db2.gz QKGQXWWYJVHTCW-UHFFFAOYSA-N -1 3 345.196 3.598 20 30 EHEDHM O=C([N-][C@@H](c1ccc(OC(F)F)cc1)C(F)(F)F)[C@@H]1CC1(F)F ZINC000450511971 1034448885 /nfs/dbraw/zinc/44/88/85/1034448885.db2.gz OJYTYTFEYFUGPG-IUCAKERBSA-N -1 3 345.214 3.663 20 30 EHEDHM O=C(/C=C\c1c(F)ccc([O-])c1F)c1cccc(N2CCOC2=O)c1 ZINC000492725486 1036216012 /nfs/dbraw/zinc/21/60/12/1036216012.db2.gz RRSVRBKNOVLTGR-XQRVVYSFSA-N -1 3 345.301 3.523 20 30 EHEDHM C=CCCC[C@@H](C)Sc1nc2nc(C)cc(C(=O)OC)c2c(=O)[n-]1 ZINC000462403850 1036932851 /nfs/dbraw/zinc/93/28/51/1036932851.db2.gz SPSOMDPSZCTGBC-LLVKDONJSA-N -1 3 347.440 3.662 20 30 EHEDHM C[C@H]1CCCc2ncc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)n21 ZINC000651360553 1038508593 /nfs/dbraw/zinc/50/85/93/1038508593.db2.gz FXCHAXWWQVHKGL-CMPLNLGQSA-N -1 3 348.328 3.684 20 30 EHEDHM Cc1csc(C(C#N)=C([O-])c2ccc(OCC(F)(F)F)cc2)n1 ZINC000041515543 1038962412 /nfs/dbraw/zinc/96/24/12/1038962412.db2.gz BXBOPLVQMIPADY-LBPRGKRZSA-N -1 3 340.326 3.883 20 30 EHEDHM C=C[C@H](CCC(=O)[O-])NCc1ccc(Br)cc1Cl ZINC000417625843 1040102581 /nfs/dbraw/zinc/10/25/81/1040102581.db2.gz NCYIIRLMJXDEBS-LLVKDONJSA-N -1 3 332.625 3.612 20 30 EHEDHM C=C[C@H]1CCCCN1C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000907808101 1040198075 /nfs/dbraw/zinc/19/80/75/1040198075.db2.gz PENUCOOWVBAVCZ-NSHDSACASA-N -1 3 337.445 3.671 20 30 EHEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000899225483 1040203164 /nfs/dbraw/zinc/20/31/64/1040203164.db2.gz VUCKVXIHOVNQLH-MEDUHNTESA-N -1 3 346.377 3.671 20 30 EHEDHM O=C(NCc1ncccc1[O-])Nc1ccccc1C#Cc1ccccc1 ZINC000344050120 1043169854 /nfs/dbraw/zinc/16/98/54/1043169854.db2.gz YMAYOFSRAWAURF-UHFFFAOYSA-N -1 3 343.386 3.509 20 30 EHEDHM Cc1cccc(C(=O)Nc2ccc(Br)c(C#N)c2)c1[O-] ZINC000709690123 1043171100 /nfs/dbraw/zinc/17/11/00/1043171100.db2.gz XUIZSULWPQMDNL-UHFFFAOYSA-N -1 3 331.169 3.587 20 30 EHEDHM O=C(c1cnc2n1CCCCC2)N([O-])Cc1cccc2ccccc21 ZINC001649069524 1128133813 /nfs/dbraw/zinc/13/38/13/1128133813.db2.gz CHGAXRBADINKLV-UHFFFAOYSA-N -1 3 335.407 3.794 20 30 EHEDHM N#CCC1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000542907863 1128827535 /nfs/dbraw/zinc/82/75/35/1128827535.db2.gz KLILBYNRYWCMFW-UHFFFAOYSA-N -1 3 348.446 3.943 20 30 EHEDHM COc1cc(C(=O)/C=C\c2nccc3ccccc23)c(OC)cc1[O-] ZINC000763104742 1121682572 /nfs/dbraw/zinc/68/25/72/1121682572.db2.gz FSFDXCJRXUGWAT-FPLPWBNLSA-N -1 3 335.359 3.854 20 30 EHEDHM COc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(Cl)c1[O-] ZINC000915917940 1121983204 /nfs/dbraw/zinc/98/32/04/1121983204.db2.gz WBMXVLRJOPKQDH-UHFFFAOYSA-N -1 3 345.708 3.914 20 30 EHEDHM Cc1occc1C([O-])=C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000130462995 1122246538 /nfs/dbraw/zinc/24/65/38/1122246538.db2.gz BSYBILOWOCOMFR-ZDUSSCGKSA-N -1 3 337.162 3.856 20 30 EHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cc(C)oc1C ZINC000916901156 1122382052 /nfs/dbraw/zinc/38/20/52/1122382052.db2.gz ZRWYPKKGQIWGEV-QGZVFWFLSA-N -1 3 338.407 3.982 20 30 EHEDHM Cc1ncc(CO)c(C=Nc2ccccc2COc2ccccc2)c1[O-] ZINC000917558465 1122631696 /nfs/dbraw/zinc/63/16/96/1122631696.db2.gz SMIUTUBZPSAWIG-UHFFFAOYSA-N -1 3 348.402 3.918 20 30 EHEDHM COC(=O)COc1ccc(N=Cc2cc(Cl)ccc2[O-])c(C)c1 ZINC000917558439 1122631883 /nfs/dbraw/zinc/63/18/83/1122631883.db2.gz PQSVNQRGIGOBAR-UHFFFAOYSA-N -1 3 333.771 3.656 20 30 EHEDHM C#Cc1cccc([N-]S(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1 ZINC000917731529 1122673215 /nfs/dbraw/zinc/67/32/15/1122673215.db2.gz GAYUFHNULCQZEC-UHFFFAOYSA-N -1 3 329.421 3.564 20 30 EHEDHM C#Cc1cccc([N-]S(=O)(=O)c2ccc(OC3CCCC3)cc2)c1 ZINC000917732654 1122673279 /nfs/dbraw/zinc/67/32/79/1122673279.db2.gz VJMYWSFDJPNCQI-UHFFFAOYSA-N -1 3 341.432 3.790 20 30 EHEDHM COc1cc(C=NNc2cccc(Cl)c2F)c([N+](=O)[O-])cc1[O-] ZINC000921137716 1123470297 /nfs/dbraw/zinc/47/02/97/1123470297.db2.gz HEONOQUZXBSTMB-UHFFFAOYSA-N -1 3 339.710 3.548 20 30 EHEDHM CC(=O)c1cc(F)cc(CN(Cc2ccc(C#N)cc2)C2CC2)c1[O-] ZINC000175605150 1123726410 /nfs/dbraw/zinc/72/64/10/1123726410.db2.gz AREULVICVGPWLW-UHFFFAOYSA-N -1 3 338.382 3.770 20 30 EHEDHM CCCc1c(C([O-])=C(C#N)c2ccccn2)cnn1-c1ccccc1 ZINC000181484449 1124883246 /nfs/dbraw/zinc/88/32/46/1124883246.db2.gz QTXRIDNZCATBKH-INIZCTEOSA-N -1 3 330.391 3.710 20 30 EHEDHM O=C(CCCc1cc(F)ccc1F)Nc1nnc(C(F)(F)F)[n-]1 ZINC000090394276 1124907860 /nfs/dbraw/zinc/90/78/60/1124907860.db2.gz SKLRBDAAMLYTNC-UHFFFAOYSA-N -1 3 334.248 3.713 20 30 EHEDHM O=C(CCCc1cc(F)ccc1F)Nc1nc(C(F)(F)F)n[n-]1 ZINC000090394276 1124907870 /nfs/dbraw/zinc/90/78/70/1124907870.db2.gz SKLRBDAAMLYTNC-UHFFFAOYSA-N -1 3 334.248 3.713 20 30 EHEDHM N#Cc1ccc(OCCCO[N-]C(=O)CCC2CCCCC2)cc1 ZINC000733998368 1131184531 /nfs/dbraw/zinc/18/45/31/1131184531.db2.gz VBANXYYOGNWHBR-UHFFFAOYSA-N -1 3 330.428 3.735 20 30 EHEDHM COc1cc(C=NNc2cccc(C(F)(F)F)n2)cc(Cl)c1[O-] ZINC000739422437 1131501288 /nfs/dbraw/zinc/50/12/88/1131501288.db2.gz 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/nfs/dbraw/zinc/29/67/93/1135296793.db2.gz UQDZGUCSGWVTDO-UHFFFAOYSA-N -1 3 338.791 3.768 20 30 EHEDHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C#N)c2)c(C)c1C ZINC001194866875 1135332138 /nfs/dbraw/zinc/33/21/38/1135332138.db2.gz QVJHEFDCLDQIQQ-UHFFFAOYSA-N -1 3 344.436 3.601 20 30 EHEDHM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(Cl)cc2F)cc1C#N ZINC001201322250 1136007032 /nfs/dbraw/zinc/00/70/32/1136007032.db2.gz GNIVEBKMAUEDRI-UHFFFAOYSA-N -1 3 342.754 3.599 20 30 EHEDHM Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(Cl)cc2F)cc1C#N ZINC001201322577 1136007237 /nfs/dbraw/zinc/00/72/37/1136007237.db2.gz PCSKRCUGCDDZFC-UHFFFAOYSA-N -1 3 338.791 3.768 20 30 EHEDHM CCCCCCCCCCS(=O)(=O)[N-]c1ccn2cnnc2c1 ZINC001201834808 1136068667 /nfs/dbraw/zinc/06/86/67/1136068667.db2.gz WFQSUUIBFMHDDS-UHFFFAOYSA-N -1 3 338.477 3.612 20 30 EHEDHM N#CC(=C([O-])c1ccc(Cl)nc1)c1cc(C(F)(F)F)ccn1 ZINC000813212347 1136302843 /nfs/dbraw/zinc/30/28/43/1136302843.db2.gz ABNOVYYXZNPRJN-JTQLQIEISA-N -1 3 325.677 3.639 20 30 EHEDHM COC[C@@H](C)Oc1ccc(/C=C/C(=O)c2ccc([O-])c(OC)c2)cc1 ZINC000853001946 1136497034 /nfs/dbraw/zinc/49/70/34/1136497034.db2.gz CYNJAQMXDPIXGC-OAUONFCTSA-N -1 3 342.391 3.711 20 30 EHEDHM CC(=[NH+][N-]c1ccc(Cl)cn1)c1ccc(N2CCCC2)cc1[O-] ZINC000853437817 1136532303 /nfs/dbraw/zinc/53/23/03/1136532303.db2.gz UZEPLULMHDGRRN-UHFFFAOYSA-N -1 3 330.819 3.877 20 30 EHEDHM N#Cc1cc(F)ccc1CO[N-]C(=O)Cc1cccc2ccccc21 ZINC000112677658 1136645299 /nfs/dbraw/zinc/64/52/99/1136645299.db2.gz NEQGWVUMMPBUIQ-UHFFFAOYSA-N -1 3 334.350 3.641 20 30 EHEDHM C=CCCO[N-]C(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000856030443 1136750279 /nfs/dbraw/zinc/75/02/79/1136750279.db2.gz ZRTCGSQMZYAMQQ-KBPBESRZSA-N -1 3 328.437 3.970 20 30 EHEDHM C=CCCO[N-]C(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000856032999 1136751051 /nfs/dbraw/zinc/75/10/51/1136751051.db2.gz VILQKDDBQXLCKH-GOEBONIOSA-N -1 3 348.443 3.512 20 30 EHEDHM CCCCCCCCc1nnc([N-]C(=O)c2cn(C3CC3)nn2)s1 ZINC000858689256 1136986965 /nfs/dbraw/zinc/98/69/65/1136986965.db2.gz CKIRATFESPYSBM-UHFFFAOYSA-N -1 3 348.476 3.620 20 30 EHEDHM [O-]c1ccc(F)c(C=NNc2ncnc3sc4c(c32)CCC4)c1F ZINC000794472511 1137164547 /nfs/dbraw/zinc/16/45/47/1137164547.db2.gz XJKGASUESJTVCT-UHFFFAOYSA-N -1 3 346.362 3.610 20 30 EHEDHM COCCCC[C@@H](/N=C\c1c([O-])c(C)ncc1CO)c1ccccc1 ZINC000794831404 1137268269 /nfs/dbraw/zinc/26/82/69/1137268269.db2.gz AFPVGEANJZUOKK-UUMRFZBWSA-N -1 3 342.439 3.565 20 30 EHEDHM N#Cc1ccc(-c2ccccc2NC(=O)Cc2ccc([O-])c(F)c2)nc1 ZINC001144631617 1137320790 /nfs/dbraw/zinc/32/07/90/1137320790.db2.gz VKRATBWCJHEBED-UHFFFAOYSA-N -1 3 347.349 3.646 20 30 EHEDHM COc1cc(F)c([C@@H](C)N[C@@H](C)c2cccc(C#N)c2[O-])cc1OC ZINC000866266610 1137340805 /nfs/dbraw/zinc/34/08/05/1137340805.db2.gz LRPXTWGIEUOMIO-NWDGAFQWSA-N -1 3 344.386 3.832 20 30 EHEDHM O=C1N/C(=N/C2CCCCC2)S/C1=C\c1c(F)ccc([O-])c1F ZINC000794934793 1137367116 /nfs/dbraw/zinc/36/71/16/1137367116.db2.gz VSRNCAYUBGWIHI-JYRVWZFOSA-N -1 3 338.379 3.563 20 30 EHEDHM CC(C)(C)OC(=O)C=Cc1cc(C([O-])=C(C#N)c2ccccn2)co1 ZINC000873498013 1137601081 /nfs/dbraw/zinc/60/10/81/1137601081.db2.gz RBIAHALRJUVOBR-LZNQSLFOSA-N -1 3 338.363 3.520 20 30 EHEDHM Cc1sc([N-]C(=O)c2nc(C)cc(C(F)(F)F)n2)c(C#N)c1C ZINC000875011058 1137627820 /nfs/dbraw/zinc/62/78/20/1137627820.db2.gz IZGBFWLSFROHRX-UHFFFAOYSA-N -1 3 340.330 3.606 20 30 EHEDHM CCN(Cc1nnc(-c2ccccc2[O-])o1)[C@H](C)c1ccc(C#N)cc1 ZINC000877991457 1137698764 /nfs/dbraw/zinc/69/87/64/1137698764.db2.gz QDEZGYPRFJYBCI-CQSZACIVSA-N -1 3 348.406 3.897 20 30 EHEDHM CC(=O)Nc1ccc(/C=C2\C(=O)c3c(c(F)ccc3[O-])[C@H]2C)cc1 ZINC000213219492 1137836089 /nfs/dbraw/zinc/83/60/89/1137836089.db2.gz MSMPJJRJGDEEQP-ADVUTCEVSA-N -1 3 325.339 3.873 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCCCCC(C)C ZINC000267474911 1140795715 /nfs/dbraw/zinc/79/57/15/1140795715.db2.gz PXMYOZGIXCSTIX-UHFFFAOYSA-N -1 3 345.487 3.931 20 30 EHEDHM C=CCCSc1nc2c(c(-c3ccco3)c1-c1nnn[n-]1)CCC2 ZINC000735416397 598824118 /nfs/dbraw/zinc/82/41/18/598824118.db2.gz ILWKEEIROOAXHF-UHFFFAOYSA-N -1 3 339.424 3.679 20 30 EHEDHM O=C1C(=Cc2cc3ccccc3o2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823503058 599114025 /nfs/dbraw/zinc/11/40/25/599114025.db2.gz ASJHSOXHFCHSPG-SDNWHVSQSA-N -1 3 342.358 3.825 20 30 EHEDHM O=C1C(=Cc2cc3ccccc3o2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823503058 599114027 /nfs/dbraw/zinc/11/40/27/599114027.db2.gz ASJHSOXHFCHSPG-SDNWHVSQSA-N -1 3 342.358 3.825 20 30 EHEDHM CC[C@@H](C)C(C)N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736330270 598315357 /nfs/dbraw/zinc/31/53/57/598315357.db2.gz LUTABHGUOXIBIZ-MRVPVSSYSA-N -1 3 326.326 3.719 20 30 EHEDHM CC[C@@H](C)C(C)N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736330270 598315358 /nfs/dbraw/zinc/31/53/58/598315358.db2.gz LUTABHGUOXIBIZ-MRVPVSSYSA-N -1 3 326.326 3.719 20 30 EHEDHM CC(C)c1ccc(C=NOCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000735925075 598673801 /nfs/dbraw/zinc/67/38/01/598673801.db2.gz XFOCQUJLSOVFJE-UHFFFAOYSA-N -1 3 339.374 3.680 20 30 EHEDHM CC(C)c1ccc(C=NOCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000735925075 598673803 /nfs/dbraw/zinc/67/38/03/598673803.db2.gz XFOCQUJLSOVFJE-UHFFFAOYSA-N -1 3 339.374 3.680 20 30 EHEDHM C=CCOc1ccccc1CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735437188 598677696 /nfs/dbraw/zinc/67/76/96/598677696.db2.gz ZNCNONUWFWOMBG-UHFFFAOYSA-N -1 3 341.802 3.697 20 30 EHEDHM C=CCOc1ccccc1CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735437188 598677698 /nfs/dbraw/zinc/67/76/98/598677698.db2.gz ZNCNONUWFWOMBG-UHFFFAOYSA-N -1 3 341.802 3.697 20 30 EHEDHM N#Cc1ccc([C@@H](N[C@H]2CCSc3c(F)cccc32)C(=O)[O-])cc1 ZINC000739106252 600591573 /nfs/dbraw/zinc/59/15/73/600591573.db2.gz LCARGBOMSGDTLY-JKSUJKDBSA-N -1 3 342.395 3.650 20 30 EHEDHM N#Cc1ccc([C@H](N[C@@H]2CCc3c2cccc3Cl)C(=O)[O-])cc1 ZINC000739105683 600596307 /nfs/dbraw/zinc/59/63/07/600596307.db2.gz IMOZOPPCCDPGCX-SJORKVTESA-N -1 3 326.783 3.614 20 30 EHEDHM C=CCC[C@H](NCC(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000833372904 605144261 /nfs/dbraw/zinc/14/42/61/605144261.db2.gz AMCOGSLWRYTGPC-SFHVURJKSA-N -1 3 338.407 3.620 20 30 EHEDHM N#Cc1ccc(SCc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000822833721 606852226 /nfs/dbraw/zinc/85/22/26/606852226.db2.gz VIHGUMGBEKXBEX-UHFFFAOYSA-N -1 3 327.800 3.684 20 30 EHEDHM N#Cc1ccc(SCc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000822833721 606852227 /nfs/dbraw/zinc/85/22/27/606852227.db2.gz VIHGUMGBEKXBEX-UHFFFAOYSA-N -1 3 327.800 3.684 20 30 EHEDHM O=C1c2cc(Cl)ccc2CCC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826475574 608048284 /nfs/dbraw/zinc/04/82/84/608048284.db2.gz KFUNYORMGCKSQF-UKTHLTGXSA-N -1 3 336.782 3.733 20 30 EHEDHM O=C1c2cc(Cl)ccc2CCC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826475574 608048285 /nfs/dbraw/zinc/04/82/85/608048285.db2.gz KFUNYORMGCKSQF-UKTHLTGXSA-N -1 3 336.782 3.733 20 30 EHEDHM O=C1c2cccc3c2[C@H](CCC3)C1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000826475410 608109615 /nfs/dbraw/zinc/10/96/15/608109615.db2.gz FTESXBTYQQLOOO-ATDKOCKZSA-N -1 3 334.404 3.628 20 30 EHEDHM O=C1c2cccc3c2[C@H](CCC3)C1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000826475410 608109616 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CCN(Cc1cc(C(=O)[O-])ccc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC001596356226 983823805 /nfs/dbraw/zinc/82/38/05/983823805.db2.gz MNPCBYOAZQJXLR-AWEZNQCLSA-N -1 3 338.407 3.848 20 30 EHEDHM CSc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC001599820911 988512182 /nfs/dbraw/zinc/51/21/82/988512182.db2.gz HHVIJZOOAUXCKG-SJKOYZFVSA-N -1 3 326.421 3.757 20 30 EHEDHM C[C@@H]1[C@H](Cc2ccccc2)CCN1Cc1cccc(C(=O)[O-])c1C#N ZINC001594188376 998730887 /nfs/dbraw/zinc/73/08/87/998730887.db2.gz QUGFFXJJGQOARU-WBVHZDCISA-N -1 3 334.419 3.710 20 30 EHEDHM Cc1cc(Cl)c([N-]S(=O)(=O)c2ccccc2C#N)cc1Cl ZINC000158970324 1017375399 /nfs/dbraw/zinc/37/53/99/1017375399.db2.gz ISTWVBSZFRCHBC-UHFFFAOYSA-N -1 3 341.219 3.974 20 30 EHEDHM COc1cc(C(=O)/C=C\c2ccc(C)c([N+](=O)[O-])c2)c(OC)cc1[O-] ZINC000255188343 1018933835 /nfs/dbraw/zinc/93/38/35/1018933835.db2.gz OLQKBTVIVVSFOU-SREVYHEPSA-N -1 3 343.335 3.522 20 30 EHEDHM N#CCOc1ccc(/C=C\C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000255356596 1018974269 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CCc1nc2c(nccc2C(=O)N([O-])Cc2cccc3ccccc32)[nH]1 ZINC001649070121 1128134915 /nfs/dbraw/zinc/13/49/15/1128134915.db2.gz RDKZUXSXXBPSEK-UHFFFAOYSA-N -1 3 346.390 3.705 20 30 EHEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1csc(Cl)c1Cl ZINC000761800322 1120938213 /nfs/dbraw/zinc/93/82/13/1120938213.db2.gz PJUZJWABRXAEHF-UHFFFAOYSA-N -1 3 349.264 3.508 20 30 EHEDHM COc1ccc(C)cc1/C=C\C(=O)c1cc(OC)c([O-])cc1OC ZINC000763103657 1121682560 /nfs/dbraw/zinc/68/25/60/1121682560.db2.gz FNIITAKYTYZAOA-SREVYHEPSA-N -1 3 328.364 3.623 20 30 EHEDHM CO[C@@H]1CCC[C@H](C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C1 ZINC001649025938 1121851652 /nfs/dbraw/zinc/85/16/52/1121851652.db2.gz HRMWVODCMBHHIW-SMDDNHRTSA-N -1 3 332.227 3.916 20 30 EHEDHM CC(=NN=c1[nH]c2ccccc2[nH]1)c1cc(Br)ccc1[O-] ZINC000915915739 1121982648 /nfs/dbraw/zinc/98/26/48/1121982648.db2.gz JRRJZTYKYAEZAJ-UHFFFAOYSA-N -1 3 345.200 3.867 20 30 EHEDHM COc1cc(C=NNC(=S)Nc2ccc(C)cc2)cc(Cl)c1[O-] ZINC000915923047 1121984702 /nfs/dbraw/zinc/98/47/02/1121984702.db2.gz AIDDBFOSUNUEAV-UHFFFAOYSA-N -1 3 349.843 3.683 20 30 EHEDHM O=C(Cn1ccc2ccc(Cl)cc21)Nc1n[n-]c(-c2ccco2)n1 ZINC000065044807 1122355903 /nfs/dbraw/zinc/35/59/03/1122355903.db2.gz SQJZQJITLHNNKO-UHFFFAOYSA-N -1 3 341.758 3.961 20 30 EHEDHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1cccs1 ZINC000916900342 1122382248 /nfs/dbraw/zinc/38/22/48/1122382248.db2.gz OKBZCKBMQIOPLV-AWEZNQCLSA-N -1 3 326.421 3.834 20 30 EHEDHM Cc1cc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)c(C)[nH]1 ZINC000917576361 1122642375 /nfs/dbraw/zinc/64/23/75/1122642375.db2.gz XOLBXVKGWSNVQW-UHFFFAOYSA-N -1 3 343.481 3.686 20 30 EHEDHM CCCCCCC[C@@H](C)C[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000917660740 1122660234 /nfs/dbraw/zinc/66/02/34/1122660234.db2.gz LCOLDALKXQRUGH-GFCCVEGCSA-N -1 3 349.928 3.657 20 30 EHEDHM CCOC(=O)[C@@H](Cc1ccccc1)/N=C\c1cc(Cl)ccc1[O-] ZINC000920174783 1123332244 /nfs/dbraw/zinc/33/22/44/1123332244.db2.gz QEBNFQSSEXARKT-SDLDRHLBSA-N -1 3 331.799 3.639 20 30 EHEDHM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1 ZINC000610123720 1123737604 /nfs/dbraw/zinc/73/76/04/1123737604.db2.gz PJLFEIDBIBPGNF-AWEZNQCLSA-N -1 3 344.436 3.845 20 30 EHEDHM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c1 ZINC000124776285 1129632607 /nfs/dbraw/zinc/63/26/07/1129632607.db2.gz CWACFTHYZCQGGR-UHFFFAOYSA-N -1 3 341.219 3.974 20 30 EHEDHM CC(=NNc1cn[nH]c(=O)c1Cl)c1ccc2ccccc2c1[O-] ZINC000730570941 1130721066 /nfs/dbraw/zinc/72/10/66/1130721066.db2.gz ODDDOHVNJOWCGB-UHFFFAOYSA-N -1 3 328.759 3.531 20 30 EHEDHM Cc1cc(C(C#N)=C([O-])C=Cc2ccnc3ccccc23)nc(C)n1 ZINC000741110547 1131576388 /nfs/dbraw/zinc/57/63/88/1131576388.db2.gz HHNDGJGAJIXAKM-QWPQOLDESA-N -1 3 328.375 3.531 20 30 EHEDHM [O-]c1ccc(Cl)cc1/C=N\C[C@H](O)c1c(F)cccc1Cl ZINC000741165091 1131582442 /nfs/dbraw/zinc/58/24/42/1131582442.db2.gz GSZVEOGCOWBSPF-FDFSMXBESA-N -1 3 328.170 3.991 20 30 EHEDHM N#CC1(c2ccc(Nc3ccc(-c4nn[n-]n4)cc3)cc2)CCCC1 ZINC001175430016 1132666568 /nfs/dbraw/zinc/66/65/68/1132666568.db2.gz AMULCGGXNIUICF-UHFFFAOYSA-N -1 3 330.395 3.946 20 30 EHEDHM CCC(N=Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc([O-])c(F)c1 ZINC000767797883 1133055736 /nfs/dbraw/zinc/05/57/36/1133055736.db2.gz RVCQEKSKCNACPL-UHFFFAOYSA-N -1 3 333.319 3.674 20 30 EHEDHM N#Cc1cccc(C(=O)COC(=O)c2cc3sccc3c([O-])c2)c1 ZINC000786139180 1133805631 /nfs/dbraw/zinc/80/56/31/1133805631.db2.gz YYRBOJRJBKCSJQ-UHFFFAOYSA-N -1 3 337.356 3.518 20 30 EHEDHM CCCCCCN([O-])C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC001184315417 1133920508 /nfs/dbraw/zinc/92/05/08/1133920508.db2.gz YJYPNDBXLIXEPJ-UHFFFAOYSA-N -1 3 328.796 3.979 20 30 EHEDHM COc1ccccc1[C@H](CC(C)C)/N=C\c1c([O-])c(C)ncc1CO ZINC000746814621 1134275395 /nfs/dbraw/zinc/27/53/95/1134275395.db2.gz ADDDQVSMMJUQSK-JGVLGKFESA-N -1 3 342.439 3.803 20 30 EHEDHM CCCCCCCCS(=O)(=O)[N-]c1csc(C(=O)OC)c1 ZINC001187993184 1134409789 /nfs/dbraw/zinc/40/97/89/1134409789.db2.gz MGPFMGSNJHVBRS-UHFFFAOYSA-N -1 3 333.475 3.637 20 30 EHEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccn1 ZINC000793123696 1134851653 /nfs/dbraw/zinc/85/16/53/1134851653.db2.gz JBHFMEIMANSVSG-GFCCVEGCSA-N -1 3 348.189 3.658 20 30 EHEDHM [O-]C(=NO[C@H]1CCCCO1)Nc1cccc(C#Cc2cccs2)c1 ZINC000775473331 1134903088 /nfs/dbraw/zinc/90/30/88/1134903088.db2.gz RLJQXPATHFRTGW-KRWDZBQOSA-N -1 3 342.420 3.728 20 30 EHEDHM O=C([N-]O[C@H]1CCCCO1)Nc1cccc(C#Cc2cccs2)c1 ZINC000775473331 1134903099 /nfs/dbraw/zinc/90/30/99/1134903099.db2.gz RLJQXPATHFRTGW-KRWDZBQOSA-N -1 3 342.420 3.728 20 30 EHEDHM Cc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2F)c2ccccc12 ZINC001193857896 1135196595 /nfs/dbraw/zinc/19/65/95/1135196595.db2.gz PSSKUQBSVPQWHD-UHFFFAOYSA-N -1 3 340.379 3.960 20 30 EHEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c2ccccc12 ZINC001193858349 1135196614 /nfs/dbraw/zinc/19/66/14/1135196614.db2.gz YBZXHERUHZSPOD-UHFFFAOYSA-N -1 3 340.379 3.960 20 30 EHEDHM Cc1ncc(CO)c(C=Nc2ccc(-c3ccco3)cc2F)c1[O-] ZINC000775742826 1135612710 /nfs/dbraw/zinc/61/27/10/1135612710.db2.gz YPMNUFSOPKLPFY-UHFFFAOYSA-N -1 3 326.327 3.738 20 30 EHEDHM Cc1nc(C#N)c([N-]C(=O)c2cc(F)cc(C(F)(F)F)c2Cl)o1 ZINC001198147921 1135779287 /nfs/dbraw/zinc/77/92/87/1135779287.db2.gz GPBDPTWRXYRFRB-UHFFFAOYSA-N -1 3 347.655 3.918 20 30 EHEDHM COc1cc(C(=O)/C=C\c2nc3c(s2)CCCC3)c(OC)cc1[O-] ZINC000776266701 1136120928 /nfs/dbraw/zinc/12/09/28/1136120928.db2.gz SPGVDZJVAMYWTJ-FPLPWBNLSA-N -1 3 345.420 3.641 20 30 EHEDHM C=CC[C@H]1CCCC[C@H]1OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000851142765 1136341792 /nfs/dbraw/zinc/34/17/92/1136341792.db2.gz XUNAFGNDRRITEG-MAUKXSAKSA-N -1 3 342.439 3.886 20 30 EHEDHM CO[C@@H](C/N=C/c1cc(Br)ccc1[O-])C1CCCC1 ZINC000852998185 1136496443 /nfs/dbraw/zinc/49/64/43/1136496443.db2.gz IDHWSXDFFRFUQO-ZUZCKIMGSA-N -1 3 326.234 3.779 20 30 EHEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C ZINC000816223450 1136690190 /nfs/dbraw/zinc/69/01/90/1136690190.db2.gz SOOLMEWWEQXGPK-XWCIJXRUSA-N -1 3 330.428 3.576 20 30 EHEDHM N#Cc1c2ccccc2sc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001144622762 1137319513 /nfs/dbraw/zinc/31/95/13/1137319513.db2.gz CTTPTURYUJUUNK-UHFFFAOYSA-N -1 3 326.352 3.799 20 30 EHEDHM N#Cc1ccc(F)c(F)c1[N-]C(=O)c1cnccc1C(F)(F)F ZINC001147273949 1137403825 /nfs/dbraw/zinc/40/38/25/1137403825.db2.gz RWGCVWNSZSFHPO-UHFFFAOYSA-N -1 3 327.212 3.503 20 30 EHEDHM CC(C)c1nccnc1N=NC(C)c1ccc(Br)cc1[O-] ZINC000773077639 1137463485 /nfs/dbraw/zinc/46/34/85/1137463485.db2.gz HUBFKCTULOFCGM-UHFFFAOYSA-N -1 3 349.232 3.904 20 30 EHEDHM CCC(F)(F)c1ccccc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000872410948 1137579611 /nfs/dbraw/zinc/57/96/11/1137579611.db2.gz UTLFUPDDIZFWCR-UHFFFAOYSA-N -1 3 330.400 3.870 20 30 EHEDHM N#CCCC[C@@H](NCc1nnc(-c2ccccc2[O-])o1)c1ccccc1 ZINC000878648439 1137723646 /nfs/dbraw/zinc/72/36/46/1137723646.db2.gz OBSPIDDCLABJFG-QGZVFWFLSA-N -1 3 348.406 3.967 20 30 EHEDHM N#Cc1ccc(F)c(C(=O)[N-]c2nnc(CC3CCCCC3)s2)c1 ZINC000826122137 1137758210 /nfs/dbraw/zinc/75/82/10/1137758210.db2.gz XZNJSTGDKWDODL-UHFFFAOYSA-N -1 3 344.415 3.924 20 30 EHEDHM [O-]c1ccc(Br)cc1/C=N/[C@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000124134053 1138280138 /nfs/dbraw/zinc/28/01/38/1138280138.db2.gz DORLZKJPXRLRNN-SJYVARLWSA-N -1 3 336.229 3.531 20 30 EHEDHM N#C[C@H]([N-]C(=O)CC(F)(F)C(F)F)c1ccc(Cl)c(Cl)c1 ZINC000889813960 1139270853 /nfs/dbraw/zinc/27/08/53/1139270853.db2.gz DGVNTMGULDOWAP-VIFPVBQESA-N -1 3 343.107 3.965 20 30 EHEDHM Cc1cc2c(cc1C)C(=O)C(=Cc1cccc(-c3nnn[n-]3)c1)CCO2 ZINC000737283799 598861941 /nfs/dbraw/zinc/86/19/41/598861941.db2.gz HEJBIQUWRHNFMY-XNTDXEJSSA-N -1 3 346.390 3.532 20 30 EHEDHM Cc1cc2c(cc1C)C(=O)C(=Cc1cccc(-c3nn[n-]n3)c1)CCO2 ZINC000737283799 598861943 /nfs/dbraw/zinc/86/19/43/598861943.db2.gz HEJBIQUWRHNFMY-XNTDXEJSSA-N -1 3 346.390 3.532 20 30 EHEDHM CCCCCCCCCC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000736449625 598301650 /nfs/dbraw/zinc/30/16/50/598301650.db2.gz ZTMJOTBODSPDKN-UHFFFAOYSA-N -1 3 347.438 3.763 20 30 EHEDHM CCCCCCCCCC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000736449625 598301651 /nfs/dbraw/zinc/30/16/51/598301651.db2.gz ZTMJOTBODSPDKN-UHFFFAOYSA-N -1 3 347.438 3.763 20 30 EHEDHM C=CCCC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000735408808 598326797 /nfs/dbraw/zinc/32/67/97/598326797.db2.gz ROVJFXKCGUWRGE-UHFFFAOYSA-N -1 3 349.394 3.872 20 30 EHEDHM C=CCCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000735408808 598326798 /nfs/dbraw/zinc/32/67/98/598326798.db2.gz ROVJFXKCGUWRGE-UHFFFAOYSA-N -1 3 349.394 3.872 20 30 EHEDHM C[C@@H](SCc1cc(-c2nnn[n-]2)ccc1F)c1ccc(C#N)cc1 ZINC000736190984 599332732 /nfs/dbraw/zinc/33/27/32/599332732.db2.gz URHQAZFIRJOZQH-LLVKDONJSA-N -1 3 339.399 3.872 20 30 EHEDHM C[C@@H](SCc1cc(-c2nn[n-]n2)ccc1F)c1ccc(C#N)cc1 ZINC000736190984 599332735 /nfs/dbraw/zinc/33/27/35/599332735.db2.gz URHQAZFIRJOZQH-LLVKDONJSA-N -1 3 339.399 3.872 20 30 EHEDHM C[C@@H](N=Cc1c(O)ccc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000820306767 599398352 /nfs/dbraw/zinc/39/83/52/599398352.db2.gz FEPABODWIKCCSH-LNOXHEFASA-N -1 3 343.390 3.906 20 30 EHEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1cccc(Cl)c1 ZINC000822924102 607457010 /nfs/dbraw/zinc/45/70/10/607457010.db2.gz XIFTUURELZTYNT-VOTSOKGWSA-N -1 3 328.734 3.555 20 30 EHEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1cccc(Cl)c1 ZINC000822924102 607457012 /nfs/dbraw/zinc/45/70/12/607457012.db2.gz XIFTUURELZTYNT-VOTSOKGWSA-N -1 3 328.734 3.555 20 30 EHEDHM CSc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821979821 606389122 /nfs/dbraw/zinc/38/91/22/606389122.db2.gz YRJMQKJWMAZHTI-VURMDHGXSA-N -1 3 328.422 3.546 20 30 EHEDHM C[C@@H]1Sc2sccc2C(=O)C1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822000722 606392391 /nfs/dbraw/zinc/39/23/91/606392391.db2.gz VEFGTIMOXIVJLL-FSEMZKDTSA-N -1 3 346.462 3.750 20 30 EHEDHM CCCCCCCC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821050751 606412242 /nfs/dbraw/zinc/41/22/42/606412242.db2.gz TZVWICJIVDOKES-UHFFFAOYSA-N -1 3 335.839 3.843 20 30 EHEDHM CCCCCCCC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821050751 606412244 /nfs/dbraw/zinc/41/22/44/606412244.db2.gz TZVWICJIVDOKES-UHFFFAOYSA-N -1 3 335.839 3.843 20 30 EHEDHM N#Cc1ccccc1CSc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000822842428 606630718 /nfs/dbraw/zinc/63/07/18/606630718.db2.gz HXBRSNKNHYVLGF-UHFFFAOYSA-N -1 3 327.800 3.684 20 30 EHEDHM N#Cc1ccccc1CSc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000822842428 606630719 /nfs/dbraw/zinc/63/07/19/606630719.db2.gz HXBRSNKNHYVLGF-UHFFFAOYSA-N -1 3 327.800 3.684 20 30 EHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(Cl)c(F)c1 ZINC000826399820 608229694 /nfs/dbraw/zinc/22/96/94/608229694.db2.gz HADRCYFFCPNEHL-RQOWECAXSA-N -1 3 334.763 3.617 20 30 EHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(Cl)c(F)c1 ZINC000826399820 608229696 /nfs/dbraw/zinc/22/96/96/608229696.db2.gz HADRCYFFCPNEHL-RQOWECAXSA-N -1 3 334.763 3.617 20 30 EHEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(Cl)c(F)c1 ZINC000826399819 608229824 /nfs/dbraw/zinc/22/98/24/608229824.db2.gz HADRCYFFCPNEHL-DUXPYHPUSA-N -1 3 334.763 3.617 20 30 EHEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(Cl)c(F)c1 ZINC000826399819 608229825 /nfs/dbraw/zinc/22/98/25/608229825.db2.gz HADRCYFFCPNEHL-DUXPYHPUSA-N -1 3 334.763 3.617 20 30 EHEDHM CC(C)[C@H]1CCCCC1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824215028 608535308 /nfs/dbraw/zinc/53/53/08/608535308.db2.gz JOAWSJXHOLAUOE-LLVKDONJSA-N -1 3 333.827 3.529 20 30 EHEDHM CC(C)[C@H]1CCCCC1N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824215028 608535310 /nfs/dbraw/zinc/53/53/10/608535310.db2.gz JOAWSJXHOLAUOE-LLVKDONJSA-N -1 3 333.827 3.529 20 30 EHEDHM Cc1ccc(F)cc1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC000826289612 609309380 /nfs/dbraw/zinc/30/93/80/609309380.db2.gz GWCFDKVMWNMYKP-UKTHLTGXSA-N -1 3 334.354 3.527 20 30 EHEDHM Cc1ccc(F)cc1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC000826289612 609309383 /nfs/dbraw/zinc/30/93/83/609309383.db2.gz GWCFDKVMWNMYKP-UKTHLTGXSA-N -1 3 334.354 3.527 20 30 EHEDHM