smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1-n1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c(-c2ccccc2)n1 ZINC000105328989 852699137 /nfs/dbraw/zinc/69/91/37/852699137.db2.gz CXWYBTCPRCXKBD-FRHQNKJESA-N -1 0 412.445 4.076 50 30 HIEARM CCN1C(=O)/C(=C/c2ccc(OC)cc2OC)S/C1=N/c1cccc(C(=O)[O-])c1 ZINC000100311450 521512002 /nfs/dbraw/zinc/51/20/02/521512002.db2.gz CAOFPIKQUGNCKX-CXSMVCKMSA-N -1 0 412.467 4.026 50 30 HIEARM O=C([O-])CCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000018038122 527578742 /nfs/dbraw/zinc/57/87/42/527578742.db2.gz PVLLDEDDKKSLRF-TVXVBNPNSA-N -1 0 419.477 4.310 50 30 HIEARM CN(C)c1ccc(/C=N/[N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000001041745 557153757 /nfs/dbraw/zinc/15/37/57/557153757.db2.gz UCCQBANUNRSJGL-DJKKODMXSA-N -1 0 406.722 4.025 50 30 HIEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3cc4ccccc4o3)[C@@H]2c2cccs2)s1 ZINC000006460045 557703562 /nfs/dbraw/zinc/70/35/62/557703562.db2.gz DLBXTRPLFPABMA-INIZCTEOSA-N -1 0 423.475 4.437 50 30 HIEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2ccccc2F)s1 ZINC000005800694 557796435 /nfs/dbraw/zinc/79/64/35/557796435.db2.gz JEQUSEKGDKYUOT-QGZVFWFLSA-N -1 0 409.442 4.077 50 30 HIEARM COc1cccc(-c2n[n-]c(=S)n2N=Cc2ccc(OC)c(Br)c2)c1 ZINC000009013639 557819492 /nfs/dbraw/zinc/81/94/92/557819492.db2.gz NJGNGDZHGBOPLI-VXLYETTFSA-N -1 0 419.304 4.270 50 30 HIEARM CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(O)c(C(=O)[O-])c3)c2C)cc1 ZINC000013616241 558549408 /nfs/dbraw/zinc/54/94/08/558549408.db2.gz HHQZGBUYMQHQTH-ZMOGYAJESA-N -1 0 406.438 4.425 50 30 HIEARM O=C([O-])c1ccc(-n2cccc2/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)cc1 ZINC000004711862 558917615 /nfs/dbraw/zinc/91/76/15/558917615.db2.gz POHCTFNDQGSEMM-PDGQHHTCSA-N -1 0 407.426 4.206 50 30 HIEARM C=CCN1C(=O)[C@H](Cc2ccccc2Cl)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000061963749 558947514 /nfs/dbraw/zinc/94/75/14/558947514.db2.gz JAMBIMPRQMBAGU-XGIGFIBQSA-N -1 0 400.887 4.398 50 30 HIEARM CN1C(=O)/C(=C/c2cc3c(cc2Cl)OCO3)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000097464863 559118819 /nfs/dbraw/zinc/11/88/19/559118819.db2.gz ZRSNAOWHWVYHIJ-CYEOZNNUSA-N -1 0 416.842 4.001 50 30 HIEARM O=c1c(N=Nc2ccc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1ccccc1 ZINC000100532588 559136261 /nfs/dbraw/zinc/13/62/61/559136261.db2.gz MEEXSNODCYUPOE-GFMRDNFCSA-N -1 0 419.828 4.467 50 30 HIEARM CC(=NCc1ccco1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000100580166 559236801 /nfs/dbraw/zinc/23/68/01/559236801.db2.gz MVFTWOHRPFEGJS-LSHDLFTRSA-N -1 0 406.389 4.396 50 30 HIEARM CCOC(=O)c1cccc(CSc2nc(-c3ccc(C)cc3)c(C#N)c(=O)[n-]2)c1 ZINC000005238270 560548647 /nfs/dbraw/zinc/54/86/47/560548647.db2.gz MPBOXDWGHYBOFO-UHFFFAOYSA-N -1 0 405.479 4.086 50 30 HIEARM Cc1ccc(-c2nc(S[C@@H](C)C(=O)Nc3cccc(C)c3C)[n-]c(=O)c2C#N)cc1 ZINC000005238321 560548821 /nfs/dbraw/zinc/54/88/21/560548821.db2.gz DZCNYOAPXZNYJN-INIZCTEOSA-N -1 0 418.522 4.353 50 30 HIEARM Cc1ccc(-c2nc(S[C@H](C)C(=O)Nc3ccccc3C)[n-]c(=O)c2C#N)cc1 ZINC000005238316 560548884 /nfs/dbraw/zinc/54/88/84/560548884.db2.gz QTEQYNWTMRFJIP-OAHLLOKOSA-N -1 0 404.495 4.045 50 30 HIEARM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NC1CCCCC1 ZINC000005533967 560606138 /nfs/dbraw/zinc/60/61/38/560606138.db2.gz LTWCNFNFBVZTEM-UHFFFAOYSA-N -1 0 418.475 4.136 50 30 HIEARM O=c1c(N=Nc2cccc(C(F)(F)F)c2)c(C(F)(F)F)[n-]n1-c1ccccc1 ZINC000005603861 560629722 /nfs/dbraw/zinc/62/97/22/560629722.db2.gz ZOCNVIKLRSHGLH-MXAYSNPKSA-N -1 0 400.282 4.438 50 30 HIEARM COc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000102804399 560826931 /nfs/dbraw/zinc/82/69/31/560826931.db2.gz DGCUMNFNVJEZKO-WOOAAIBNSA-N -1 0 424.840 4.271 50 30 HIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3cc4ccccc4o3)[C@H]2c2ccc(F)cc2)no1 ZINC000102804810 560826959 /nfs/dbraw/zinc/82/69/59/560826959.db2.gz OBZCHXSCNGSONE-YDJIHCHBSA-N -1 0 418.380 4.495 50 30 HIEARM O=C1C(=O)N(c2ccccn2)[C@@H](c2ccccc2F)C1=C(O)C=Cc1ccccc1 ZINC000102882367 560833924 /nfs/dbraw/zinc/83/39/24/560833924.db2.gz HJQRLHHMJKWNHD-UWFSCAJVSA-N -1 0 400.409 4.403 50 30 HIEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nncs3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000104196561 560849629 /nfs/dbraw/zinc/84/96/29/560849629.db2.gz XRFSUHSKVOYZOG-UYTDBDHRSA-N -1 0 411.870 4.126 50 30 HIEARM Cc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)[N-]c1cccc(C#N)c1 ZINC000046141273 568429681 /nfs/dbraw/zinc/42/96/81/568429681.db2.gz SVWMTQYCSLZTPW-UHFFFAOYSA-N -1 0 422.491 4.446 50 30 HIEARM COc1ccc(-c2nc(SCCCOc3ccc(C)c(C)c3)[n-]c(=O)c2C#N)cc1 ZINC000025593301 568823081 /nfs/dbraw/zinc/82/30/81/568823081.db2.gz AWQYXQCPPXAQCV-UHFFFAOYSA-N -1 0 421.522 4.495 50 30 HIEARM COc1ccccc1[C@@H]1C(=C([O-])c2ccc(Cl)cc2)C(=O)C(=O)N1c1cc(C)on1 ZINC000009462429 569039118 /nfs/dbraw/zinc/03/91/18/569039118.db2.gz XCJDRUCUKNLLSV-LJQANCHMSA-N -1 0 424.840 4.428 50 30 HIEARM O=[N+]([O-])c1ccc(NN=Cc2cc(Br)cc(Br)c2[O-])cc1 ZINC000016427889 569050386 /nfs/dbraw/zinc/05/03/86/569050386.db2.gz QMXBGGXVGBNEPK-FRKPEAEDSA-N -1 0 415.041 4.271 50 30 HIEARM COc1ccc(-c2cnc(-n3[n-]c(C)c(N=Nc4ccc(C)cc4)c3=O)s2)cc1 ZINC000006501834 569061619 /nfs/dbraw/zinc/06/16/19/569061619.db2.gz SMLVXNAAPBBZJW-CLCOLTQESA-N -1 0 405.483 4.318 50 30 HIEARM CCOC(=O)c1c2c(sc1NC(C)=O)C(=NO)[C@@H](Sc1ccccc1)CC2 ZINC000252611902 569300417 /nfs/dbraw/zinc/30/04/17/569300417.db2.gz IOEXOESFPUIGLA-AWEZNQCLSA-N -1 0 404.513 4.169 50 30 HIEARM C=CCOc1cccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000008895210 571143365 /nfs/dbraw/zinc/14/33/65/571143365.db2.gz XILJYHKRFZNECB-IBGZPJMESA-N -1 0 422.462 4.392 50 30 HIEARM C=CCN1c2ccc([N-]S(=O)(=O)c3ccc(CC)s3)cc2OCC(C)(C)C1=O ZINC000009167002 571232981 /nfs/dbraw/zinc/23/29/81/571232981.db2.gz ZOAJHXUQLPEKIY-UHFFFAOYSA-N -1 0 420.556 4.049 50 30 HIEARM C=CCN1c2cc([N-]S(=O)(=O)c3ccc(CC)s3)ccc2OCC(C)(C)C1=O ZINC000009171268 571233866 /nfs/dbraw/zinc/23/38/66/571233866.db2.gz MTGGYFQMRLFISF-UHFFFAOYSA-N -1 0 420.556 4.049 50 30 HIEARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1 ZINC000010514766 571304134 /nfs/dbraw/zinc/30/41/34/571304134.db2.gz CIHDYPWFNZPUIP-UHFFFAOYSA-N -1 0 415.696 4.174 50 30 HIEARM COc1cc(C=Cc2n[n-]c(=O)c(C#N)c2C)ccc1OCc1ccc(Cl)cc1 ZINC000007123666 845258918 /nfs/dbraw/zinc/25/89/18/845258918.db2.gz VKXPRPCECQXAAB-WEVVVXLNSA-N -1 0 407.857 4.361 50 30 HIEARM COc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)cc1CSc1ncccn1 ZINC000096792516 852555089 /nfs/dbraw/zinc/55/50/89/852555089.db2.gz WYRARKGPXJUABK-UITAMQMPSA-N -1 0 406.463 4.372 50 30 HIEARM COc1cc(OC)c(OC)cc1C=Nn1c(=S)[n-]nc1-c1cccc(Cl)c1 ZINC000254496230 854211722 /nfs/dbraw/zinc/21/17/22/854211722.db2.gz VNJHBBCEBYGTPJ-UHFFFAOYSA-N -1 0 404.879 4.169 50 30 HIEARM CCOc1cc(/C=C(/C(=O)C(=O)[O-])c2ccc3ccccc3n2)cc(Cl)c1OC ZINC000033466926 520615394 /nfs/dbraw/zinc/61/53/94/520615394.db2.gz GXADMWUXKJARDH-XNTDXEJSSA-N -1 0 411.841 4.490 50 30 HIEARM Cc1cccc(N=Nc2c(CSc3ccccn3)[n-]n(-c3ccccc3)c2=O)c1 ZINC000026966919 524530429 /nfs/dbraw/zinc/53/04/29/524530429.db2.gz PXBPSKWHHISLQB-DAFNUICNSA-N -1 0 401.495 4.353 50 30 HIEARM O=C1Nc2ccccc2C1=N[N-]c1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 ZINC000018123267 527090488 /nfs/dbraw/zinc/09/04/88/527090488.db2.gz BIDQZRRUVVDBEZ-UHFFFAOYSA-N -1 0 422.452 4.127 50 30 HIEARM O=C1C(=O)N(c2ncccn2)[C@@H](c2ccc(Cl)c(Cl)c2)C1=C([O-])c1ccco1 ZINC000001155464 557213722 /nfs/dbraw/zinc/21/37/22/557213722.db2.gz NKGGHGSTFRZLCN-HNNXBMFYSA-N -1 0 416.220 4.159 50 30 HIEARM O=C([O-])c1ccc(/C=C2\S/C(=N\c3ccc(Br)cc3)NC2=O)cc1 ZINC000005127558 557637624 /nfs/dbraw/zinc/63/76/24/557637624.db2.gz AIHWLYQVMPLATD-ZROIWOOFSA-N -1 0 403.257 4.039 50 30 HIEARM CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)[O-])ccc1N[C@H]2c1ccc2c(c1)OCO2 ZINC000005190692 557639349 /nfs/dbraw/zinc/63/93/49/557639349.db2.gz NCXQUDXFPZQCHH-NRFANRHFSA-N -1 0 406.438 4.335 50 30 HIEARM O=C1C(=O)N(c2nncs2)[C@H](c2ccc(Cl)cc2)C1=C([O-])c1ccc(F)cc1 ZINC000008899633 557813454 /nfs/dbraw/zinc/81/34/54/557813454.db2.gz CAMYRXMRKQMFAE-OAHLLOKOSA-N -1 0 415.833 4.114 50 30 HIEARM O=C1C(=O)N(c2nncs2)[C@@H](c2ccc(Cl)cc2)C1=C([O-])c1cccs1 ZINC000009244100 557832324 /nfs/dbraw/zinc/83/23/24/557832324.db2.gz MDZBVUODBPQUFT-ZDUSSCGKSA-N -1 0 403.872 4.036 50 30 HIEARM Cc1[n-]n(-c2nc(C(C)(C)C)cs2)c(=O)c1N=Nc1ccc(Br)cc1 ZINC000012403910 558397812 /nfs/dbraw/zinc/39/78/12/558397812.db2.gz XFKRWIDRDUKSRE-STZFKDTASA-N -1 0 420.336 4.394 50 30 HIEARM O=c1c(N=Nc2cccc(Cl)c2)c(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1ccccc1 ZINC000013897249 558600584 /nfs/dbraw/zinc/60/05/84/558600584.db2.gz LAEWYEJKAHDNBQ-HIXSDJFHSA-N -1 0 419.828 4.467 50 30 HIEARM Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C/c2ccccc2OCC(=O)[O-])S1 ZINC000015016574 558702255 /nfs/dbraw/zinc/70/22/55/558702255.db2.gz QQQNZEOMGZWOPL-SXGWCWSVSA-N -1 0 402.859 4.003 50 30 HIEARM C=CCN1C(=O)[C@H](Cc2cccc(Cl)c2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000018036821 558829917 /nfs/dbraw/zinc/82/99/17/558829917.db2.gz WQKKDQLLTSYNSQ-WXVFVKJXSA-N -1 0 400.887 4.398 50 30 HIEARM O=C([N-]CCc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000097944574 558951197 /nfs/dbraw/zinc/95/11/97/558951197.db2.gz RYQZIXCMWPWVAD-UHFFFAOYSA-N -1 0 417.218 4.449 50 30 HIEARM Cc1ccccc1NN=Cc1sc(=O)n(Cc2cccc(C(=O)[O-])c2)c1Cl ZINC000005024736 559229993 /nfs/dbraw/zinc/22/99/93/559229993.db2.gz ACWIYMILUIVTKE-UFFVCSGVSA-N -1 0 401.875 4.064 50 30 HIEARM C=CCN1C(=O)C(=O)C(=C([O-])c2ccc(Br)cc2)[C@H]1c1ccc(C)cc1 ZINC000101231601 560789392 /nfs/dbraw/zinc/78/93/92/560789392.db2.gz GFXMVGNQRTUJCK-SELCWUDQSA-N -1 0 412.283 4.365 50 30 HIEARM C=CCOc1cccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000101314073 560791541 /nfs/dbraw/zinc/79/15/41/560791541.db2.gz QSGJJKRQODVVRY-WOOAAIBNSA-N -1 0 422.462 4.236 50 30 HIEARM COc1ccccc1[C@@H]1C(=C([O-])c2ccc(Cl)cc2)C(=O)C(=O)N1c1cc(C)on1 ZINC000102702228 560820331 /nfs/dbraw/zinc/82/03/31/560820331.db2.gz MURBHCDFLGBRKF-LFVOPCPISA-N -1 0 424.840 4.271 50 30 HIEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(OCC(C)C)cc2C)[C@H]1c1ccccc1 ZINC000102711889 560822900 /nfs/dbraw/zinc/82/29/00/560822900.db2.gz QVHJJJYLZBMAEF-HOGKFDNTSA-N -1 0 423.509 4.098 50 30 HIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3cc4ccccc4o3)[C@@H]2c2cccs2)no1 ZINC000102803613 560826634 /nfs/dbraw/zinc/82/66/34/560826634.db2.gz QRUYNOVNMZSYRZ-GHNGSUTGSA-N -1 0 406.419 4.417 50 30 HIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3cc4ccccc4o3)[C@H]2c2ccccc2F)no1 ZINC000102799323 560828164 /nfs/dbraw/zinc/82/81/64/560828164.db2.gz OTXVYHTVVXLLTK-YDJIHCHBSA-N -1 0 418.380 4.495 50 30 HIEARM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1ccc(OCC(F)(F)F)nc1 ZINC000103483190 560842306 /nfs/dbraw/zinc/84/23/06/560842306.db2.gz CZQDLSJXNHIPSS-CQSZACIVSA-N -1 0 401.344 4.018 50 30 HIEARM C=CCOc1ccccc1/C=C1\SC(=S)N([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000002700598 568454441 /nfs/dbraw/zinc/45/44/41/568454441.db2.gz XFSANHVXIRLBRL-MTMYEVCSSA-N -1 0 411.504 4.279 50 30 HIEARM C=CCOc1ccccc1/C=C1\SC(=S)N([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000002700596 568801796 /nfs/dbraw/zinc/80/17/96/568801796.db2.gz XFSANHVXIRLBRL-FDWYHIAWSA-N -1 0 411.504 4.279 50 30 HIEARM CN(C(=O)C(F)(F)F)c1ccccc1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000003192115 568860755 /nfs/dbraw/zinc/86/07/55/568860755.db2.gz XWTLDYJOXOKVAQ-GFCCVEGCSA-N -1 0 403.385 4.311 50 30 HIEARM C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CNCC(=O)[O-] ZINC000004028941 568934257 /nfs/dbraw/zinc/93/42/57/568934257.db2.gz HDVCFXRYOTXWAY-LTLLVOOCSA-N -1 0 417.546 4.338 50 30 biogenic HIEARM N#Cc1cc2c(cc1[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl)OCO2 ZINC000001421128 568937947 /nfs/dbraw/zinc/93/79/47/568937947.db2.gz PKXQHESXTSJIAN-UHFFFAOYSA-N -1 0 405.646 4.048 50 30 HIEARM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)c1 ZINC000089292165 569058167 /nfs/dbraw/zinc/05/81/67/569058167.db2.gz OVNFLRNMCHIYGD-GXTWGEPZSA-N -1 0 413.829 4.270 50 30 HIEARM O=c1c(N=Nc2ccc(Cl)cc2)c(-c2ccccc2)[n-]n1-c1ccc([N+](=O)[O-])cc1 ZINC000252460696 569286682 /nfs/dbraw/zinc/28/66/82/569286682.db2.gz HMOVOCXFZZOEAN-UHFFFAOYSA-N -1 0 419.828 4.467 50 30 HIEARM COc1cccc(C=Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c1O ZINC000252462532 569286998 /nfs/dbraw/zinc/28/69/98/569286998.db2.gz TYDJMJUODVUUFZ-UHFFFAOYSA-N -1 0 400.431 4.091 50 30 HIEARM Cc1ccc(N=C2S/C(=C\c3cn(CC(=O)[O-])c4ccccc34)C(=O)N2C)cc1 ZINC000252601400 569297007 /nfs/dbraw/zinc/29/70/07/569297007.db2.gz DZTHQZYGVNIXNP-KHUUNVOJSA-N -1 0 405.479 4.268 50 30 HIEARM CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000252609341 569298149 /nfs/dbraw/zinc/29/81/49/569298149.db2.gz HRYKYPIAHNZLFJ-VNOLOYJFSA-N -1 0 416.842 4.001 50 30 HIEARM C=CCN1C(=O)[C@H](Cc2ccccc2Cl)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000012343836 569400425 /nfs/dbraw/zinc/40/04/25/569400425.db2.gz JAMBIMPRQMBAGU-WXVFVKJXSA-N -1 0 400.887 4.398 50 30 HIEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000008895208 571143453 /nfs/dbraw/zinc/14/34/53/571143453.db2.gz XILJYHKRFZNECB-LJQANCHMSA-N -1 0 422.462 4.392 50 30 HIEARM O=C(C=Cc1cc(Cl)c2c(c1)OCCO2)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000095350661 852545936 /nfs/dbraw/zinc/54/59/36/852545936.db2.gz MYDSDDLJPCESHA-HNQUOIGGSA-N -1 0 420.295 4.185 50 30 HIEARM CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@H]2c1cc([N+](=O)[O-])ccc1[O-] ZINC000032523693 520257831 /nfs/dbraw/zinc/25/78/31/520257831.db2.gz JTUUCCVYIDSCRW-PZJWPPBQSA-N -1 0 416.433 4.343 50 30 HIEARM O=C1C(=O)N(C[C@H]2CCCO2)[C@H](c2ccc(F)cc2)C1=C([O-])c1ccc(Cl)cc1 ZINC000102648709 526953899 /nfs/dbraw/zinc/95/38/99/526953899.db2.gz DBXWDZBVCBCMOW-DPGTYXLWSA-N -1 0 415.848 4.080 50 30 HIEARM O=C(C=Cc1cc(Cl)c2c(c1)OCCO2)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000040129896 527156701 /nfs/dbraw/zinc/15/67/01/527156701.db2.gz CPDUQLYZCYUVDF-HRCSPUOPSA-N -1 0 405.859 4.082 50 30 HIEARM O=[N+]([O-])c1ccc(N=NCc2cc(Br)cc(Cl)c2[O-])c([N+](=O)[O-])c1 ZINC000023411608 527359434 /nfs/dbraw/zinc/35/94/34/527359434.db2.gz RYMRQIIINFSERL-SOFYXZRVSA-N -1 0 415.587 4.071 50 30 HIEARM Cc1cccc2c1nc1[n-]c(NN=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)nnc2-1 ZINC000004578244 557569623 /nfs/dbraw/zinc/56/96/23/557569623.db2.gz HOHJYGFVYDQCDQ-JJFYIABZSA-N -1 0 413.397 4.429 50 30 HIEARM CCN1C(=O)/C(=C\c2ccc(C)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000004682166 557580751 /nfs/dbraw/zinc/58/07/51/557580751.db2.gz COSKUQRGWDRVCD-OUYOUGTCSA-N -1 0 411.439 4.225 50 30 HIEARM Cc1ccc2nc3[n-]c(NN=Cc4ccc(-c5cccc([N+](=O)[O-])c5)o4)nnc-3c2c1 ZINC000005008871 557625179 /nfs/dbraw/zinc/62/51/79/557625179.db2.gz SMWRZZCKCGVHCW-SSDVNMTOSA-N -1 0 413.397 4.429 50 30 HIEARM O=C([O-])c1ccc(/N=C2\NC(=O)/C(=C\c3cccc(Br)c3)S2)cc1 ZINC000005593525 557663816 /nfs/dbraw/zinc/66/38/16/557663816.db2.gz ZQRKOCQTTMGRMC-NTEUORMPSA-N -1 0 403.257 4.039 50 30 HIEARM O=[N+]([O-])c1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2Br)cc1 ZINC000006059920 557685625 /nfs/dbraw/zinc/68/56/25/557685625.db2.gz TUCCQGDWQFOSKR-RQZCQDPDSA-N -1 0 404.249 4.161 50 30 HIEARM C=CCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000002695083 557741311 /nfs/dbraw/zinc/74/13/11/557741311.db2.gz JBYWIBYIOLGIPV-WIQPNEMMSA-N -1 0 409.423 4.083 50 30 HIEARM COCc1cc(C)nc(N=NCc2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)c1C#N ZINC000008437678 557789204 /nfs/dbraw/zinc/78/92/04/557789204.db2.gz VAENRGVUISGSIU-YSURURNPSA-N -1 0 424.844 4.466 50 30 HIEARM CC/N=C1\S/C(=C\c2ccc(OCc3cccc(C(=O)[O-])c3)cc2)C(=O)N1CC ZINC000017166994 558824505 /nfs/dbraw/zinc/82/45/05/558824505.db2.gz CSDYONZGDMCBNW-CUNLUVCHSA-N -1 0 410.495 4.276 50 30 HIEARM Cc1ccc(N=Nc2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c2=O)c(C)c1 ZINC000004679196 558890191 /nfs/dbraw/zinc/89/01/91/558890191.db2.gz DELPAEGPHPTYTD-YYDJUVGSSA-N -1 0 413.437 4.431 50 30 HIEARM O=C([O-])c1cccc(NC(=NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)c1 ZINC000004734088 559033810 /nfs/dbraw/zinc/03/38/10/559033810.db2.gz XBAYQHXCYUUGBR-UHFFFAOYSA-N -1 0 414.870 4.286 50 30 HIEARM C[C@@H]([N-]C(=O)[C@@](F)(N(C(F)(F)F)C(F)(F)F)C(F)(F)F)c1ccccc1 ZINC000100556841 559136502 /nfs/dbraw/zinc/13/65/02/559136502.db2.gz NZDSYEQKTLSCHK-GMSGAONNSA-N -1 0 400.216 4.434 50 30 HIEARM Cc1cc(N(C)/N=C/c2cc(Br)ccc2O)nc(-c2ccccc2[O-])n1 ZINC000004697418 560610877 /nfs/dbraw/zinc/61/08/77/560610877.db2.gz GGFMMMJNYNLSFB-SRZZPIQSSA-N -1 0 413.275 4.096 50 30 HIEARM C=CCn1c2ccccc2c([O-])c(-c2nc(-c3ccc(OC(C)C)cc3)no2)c1=O ZINC000101725248 560799842 /nfs/dbraw/zinc/79/98/42/560799842.db2.gz WJYFWLPMKACYIA-UHFFFAOYSA-N -1 0 403.438 4.397 50 30 HIEARM O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccccc2)C1=C([O-])c1ccc(Cl)cc1 ZINC000102642757 560819673 /nfs/dbraw/zinc/81/96/73/560819673.db2.gz QAEASNNQHJXWCO-NHFXJNLRSA-N -1 0 404.853 4.357 50 30 HIEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccccc1 ZINC000102802992 560826474 /nfs/dbraw/zinc/82/64/74/560826474.db2.gz MQQDJCAHHZTWOH-HOGKFDNTSA-N -1 0 423.509 4.098 50 30 HIEARM CCCCOc1ccc([C@@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000102886050 560834108 /nfs/dbraw/zinc/83/41/08/560834108.db2.gz CTLBMGMBDRSSHV-YDJIHCHBSA-N -1 0 422.437 4.381 50 30 HIEARM C[C@@H](Sc1nc(-c2ccccc2)c(C#N)c(=O)[n-]1)C(=O)Nc1ccc(Cl)cc1 ZINC000002751023 568806528 /nfs/dbraw/zinc/80/65/28/568806528.db2.gz DGNRVGPZXZKQQS-GFCCVEGCSA-N -1 0 410.886 4.494 50 30 HIEARM N#Cc1cc(C(=O)c2cc(Cl)ccc2[O-])cn(-c2ccc(F)c(Cl)c2)c1=O ZINC000005861894 568826514 /nfs/dbraw/zinc/82/65/14/568826514.db2.gz DUHIBDKXYCSPNB-UHFFFAOYSA-N -1 0 403.196 4.092 50 30 HIEARM CCc1cccc(CC)c1-n1cc(C(=O)c2cc(Cl)ccc2[O-])cc(C#N)c1=O ZINC000005863884 568826630 /nfs/dbraw/zinc/82/66/30/568826630.db2.gz BEALPOMCGWFHTR-UHFFFAOYSA-N -1 0 406.869 4.424 50 30 HIEARM Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=NCc1cccc(C(F)(F)F)c1 ZINC000003833270 568868761 /nfs/dbraw/zinc/86/87/61/568868761.db2.gz GBVUHUFJZWEFST-FOKLQQMPSA-N -1 0 404.348 4.020 50 30 HIEARM C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(OC(F)F)cc3)cc2[n-]c1=S ZINC000012607244 568871346 /nfs/dbraw/zinc/87/13/46/568871346.db2.gz OWIPGXLSRHKCAQ-UHFFFAOYSA-N -1 0 403.410 4.099 50 30 HIEARM C=CCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(C)cc2Br)c1=O ZINC000001253816 568908773 /nfs/dbraw/zinc/90/87/73/568908773.db2.gz ZHKIYKNKZQRYSJ-UHFFFAOYSA-N -1 0 413.271 4.216 50 30 HIEARM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cccc(C#N)c2)c1 ZINC000006146697 569014542 /nfs/dbraw/zinc/01/45/42/569014542.db2.gz ITAQDHLFDLECPT-UHFFFAOYSA-N -1 0 405.479 4.228 50 30 HIEARM CC(C)c1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nncs2)cc1 ZINC000104189196 569050394 /nfs/dbraw/zinc/05/03/94/569050394.db2.gz LXUQGBJYDBENDX-SELCWUDQSA-N -1 0 423.469 4.427 50 30 HIEARM O=[N+]([O-])c1ccc(C=N[N-]c2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)o1 ZINC000006473820 569058183 /nfs/dbraw/zinc/05/81/83/569058183.db2.gz IZQJOMLNSLCKJZ-FYJGNVAPSA-N -1 0 416.401 4.306 50 30 HIEARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2ccc(C#N)cc2)CC(=O)N3)cc1 ZINC000064797231 569096453 /nfs/dbraw/zinc/09/64/53/569096453.db2.gz SXTNHBYKTJZOGJ-INIZCTEOSA-N -1 0 404.447 4.468 50 30 HIEARM COCc1cc(C)nc(N=NCc2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)c1C#N ZINC000252426657 569285195 /nfs/dbraw/zinc/28/51/95/569285195.db2.gz IUEPTURERJZYEF-UHFFFAOYSA-N -1 0 424.844 4.466 50 30 HIEARM [O-]c1c(I)cc(Cl)cc1C=Nc1ccc2c(c1)OCCO2 ZINC000252598746 569296627 /nfs/dbraw/zinc/29/66/27/569296627.db2.gz DDBUDMKFGZEGBA-UHFFFAOYSA-N -1 0 415.614 4.172 50 30 HIEARM CCCCCCCCCCNC(=O)c1c([O-])c2cc(OC)c(OC)cc2[nH]c1=O ZINC000070673499 569413208 /nfs/dbraw/zinc/41/32/08/569413208.db2.gz MJTCFFWUUDQIEH-UHFFFAOYSA-N -1 0 404.507 4.121 50 30 HIEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000008827568 571122550 /nfs/dbraw/zinc/12/25/50/571122550.db2.gz UDCQHKSPVXWESK-HXUWFJFHSA-N -1 0 422.437 4.456 50 30 HIEARM COc1ccc(-c2nc(N(C)Cc3ccc(C(F)(F)F)cc3)[n-]c(=O)c2C#N)cc1 ZINC000040122664 571178428 /nfs/dbraw/zinc/17/84/28/571178428.db2.gz IPWUMZPUEGIBSL-UHFFFAOYSA-N -1 0 414.387 4.385 50 30 HIEARM C[C@@H](c1ccccc1)n1cc(C(=O)c2cc(Br)ccc2[O-])cc(C#N)c1=O ZINC000009440195 571259017 /nfs/dbraw/zinc/25/90/17/571259017.db2.gz QZOHBUVSKNETHK-ZDUSSCGKSA-N -1 0 423.266 4.028 50 30 HIEARM COc1ccc(Br)cc1/C=C/C(=O)c1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000013361777 845915065 /nfs/dbraw/zinc/91/50/65/845915065.db2.gz YJKNVGADFDILFT-BIPYJSMBSA-N -1 0 405.244 4.206 50 30 HIEARM COc1cc(/C=C2\CCc3cc(OC(C)(C)C(=O)[O-])ccc3C2=O)ccc1OCC#N ZINC000098055727 852651019 /nfs/dbraw/zinc/65/10/19/852651019.db2.gz TXGDRDCUMMBUGY-SFQUDFHCSA-N -1 0 421.449 4.052 50 30 HIEARM C=CCc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(OC)c1O ZINC000038160129 519126930 /nfs/dbraw/zinc/12/69/30/519126930.db2.gz NBDOVDDOBRILLE-SXGWCWSVSA-N -1 0 412.829 4.289 50 30 HIEARM CCOC(=O)c1ccc(N=Nc2c(=O)n(-c3ccccc3)[n-]c2-c2ccccc2)cc1 ZINC000095215274 521481515 /nfs/dbraw/zinc/48/15/15/521481515.db2.gz LCUJZMQRZJYNML-XTCLZLMSSA-N -1 0 412.449 4.082 50 30 HIEARM COc1cc(/C=C2\COc3c(Cl)cc(Cl)cc3C2=O)ccc1OCC(=O)[O-] ZINC000040059722 521966721 /nfs/dbraw/zinc/96/67/21/521966721.db2.gz QHARDZNISQGXTR-NYYWCZLTSA-N -1 0 409.221 4.124 50 30 HIEARM COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccc(F)cc4)c3=O)n2)cc1 ZINC000012412998 523163746 /nfs/dbraw/zinc/16/37/46/523163746.db2.gz RFCZADKGBFWRRQ-MOHJPFBDSA-N -1 0 409.446 4.148 50 30 HIEARM Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCC(=O)[O-])[C@@H]2c2ccccc2Cl)cc1 ZINC000019898763 526021293 /nfs/dbraw/zinc/02/12/93/526021293.db2.gz RUZQLMJSOMZAKI-LJQANCHMSA-N -1 0 413.857 4.092 50 30 HIEARM CC(C)NC(=O)N=S(=O)([O-])c1cnccc1Sc1cc(Cl)cc(Cl)c1 ZINC000000987796 557133085 /nfs/dbraw/zinc/13/30/85/557133085.db2.gz KCFWEGFICYIDCE-UHFFFAOYSA-N -1 0 420.343 4.140 50 30 HIEARM Cc1ccc(N=Nc2c(-c3ccccc3)[n-]n(-c3ccc([N+](=O)[O-])cc3)c2=O)c(C)c1 ZINC000004603938 557571561 /nfs/dbraw/zinc/57/15/61/557571561.db2.gz LTXPGCSTSMOQFU-LVWGJNHUSA-N -1 0 413.437 4.431 50 30 HIEARM CN(C)c1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2Br)cc1 ZINC000005695385 557669079 /nfs/dbraw/zinc/66/90/79/557669079.db2.gz UIRMRDGKBAXRJG-YBFXNURJSA-N -1 0 402.321 4.318 50 30 HIEARM CCOC(=O)c1ccc(-c2ccc(C=Nc3cc(=O)n(-c4ccccc4)[n-]3)o2)cc1 ZINC000005871422 557678364 /nfs/dbraw/zinc/67/83/64/557678364.db2.gz UNGWFQANGJKQSS-BUVRLJJBSA-N -1 0 401.422 4.293 50 30 HIEARM O=C1C(=O)N(c2nncs2)[C@H](c2ccc(Cl)cc2)C1=C([O-])c1cccs1 ZINC000009244101 557832396 /nfs/dbraw/zinc/83/23/96/557832396.db2.gz MDZBVUODBPQUFT-CYBMUJFWSA-N -1 0 403.872 4.036 50 30 HIEARM C=CCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(C(=O)OCCCC)cc2)c1=O ZINC000100551187 558482777 /nfs/dbraw/zinc/48/27/77/558482777.db2.gz MYLYGUHQHVWJTI-UHFFFAOYSA-N -1 0 420.465 4.102 50 30 HIEARM CCCCOc1ccc(S(=O)([O-])=NC(=O)NCc2ccc(OCCC)cc2)cc1 ZINC000004587286 558785303 /nfs/dbraw/zinc/78/53/03/558785303.db2.gz OVSKWLGCGUYUDZ-UHFFFAOYSA-N -1 0 420.531 4.047 50 30 HIEARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000016310789 558785318 /nfs/dbraw/zinc/78/53/18/558785318.db2.gz ORCUAQQCJFNNGJ-NKFKGCMQSA-N -1 0 420.454 4.217 50 30 HIEARM CCCCCCn1c(=O)c(C(=O)Nc2ncc([N+](=O)[O-])s2)c([O-])c2ccccc21 ZINC000004588962 558788849 /nfs/dbraw/zinc/78/88/49/558788849.db2.gz OZKNQDRYQPXJCZ-UHFFFAOYSA-N -1 0 416.459 4.288 50 30 HIEARM CCOC(=O)c1c(/N=C/c2cc(OC)cc([N+](=O)[O-])c2[O-])sc2c1CCCC2 ZINC000004807568 559068405 /nfs/dbraw/zinc/06/84/05/559068405.db2.gz QSCYFLHXSRLBNC-KEBDBYFISA-N -1 0 404.444 4.177 50 30 HIEARM Cc1ccc(N=Nc2c(CSc3ccccn3)[n-]n(-c3ccccc3)c2=O)cc1 ZINC000018154258 560780159 /nfs/dbraw/zinc/78/01/59/560780159.db2.gz DCHNOVSKIOGLNB-DAFNUICNSA-N -1 0 401.495 4.353 50 30 HIEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000102804308 560826766 /nfs/dbraw/zinc/82/67/66/560826766.db2.gz MUEWLLNJFMJXRO-YDJIHCHBSA-N -1 0 422.412 4.147 50 30 HIEARM O=C1C(=O)N(c2ccccn2)[C@H](c2ccccc2F)C1=C(O)C=Cc1ccccc1 ZINC000102882369 560833945 /nfs/dbraw/zinc/83/39/45/560833945.db2.gz HJQRLHHMJKWNHD-GUIXXIHBSA-N -1 0 400.409 4.403 50 30 HIEARM CCCCOc1ccc([C@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000102886054 560834032 /nfs/dbraw/zinc/83/40/32/560834032.db2.gz CTLBMGMBDRSSHV-NHFXJNLRSA-N -1 0 422.437 4.381 50 30 HIEARM COc1ccc(NC(=NC2CCCC2)SCc2nc(=O)c3sccc3[n-]2)cc1 ZINC000006621636 568456697 /nfs/dbraw/zinc/45/66/97/568456697.db2.gz CIVDGJIBJPJRRL-UHFFFAOYSA-N -1 0 414.556 4.446 50 30 HIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc(O)cc2)no1 ZINC000005800482 568735269 /nfs/dbraw/zinc/73/52/69/568735269.db2.gz OPCCBMYTGITFOG-GOSISDBHSA-N -1 0 410.813 4.125 50 30 HIEARM N#CC(=C([O-])c1ccc(=O)oc1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000003334966 568882525 /nfs/dbraw/zinc/88/25/25/568882525.db2.gz ZXOWUNFZWAYKRA-ZDUSSCGKSA-N -1 0 401.241 4.016 50 30 HIEARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)cc1 ZINC000003425812 568900297 /nfs/dbraw/zinc/90/02/97/568900297.db2.gz JDDJYHUOVHLSJG-UHFFFAOYSA-N -1 0 422.462 4.432 50 30 HIEARM C=CCc1cc(/C=C2/NC(=O)[N-]C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000001144291 569006443 /nfs/dbraw/zinc/00/64/43/569006443.db2.gz DQZDYRJIJVFJEB-WOJGMQOQSA-N -1 0 412.873 4.227 50 30 HIEARM N#Cc1c(=O)[n-]c(SCC(=O)OCc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000015859830 569015398 /nfs/dbraw/zinc/01/53/98/569015398.db2.gz ZYWGGFWWKKBDJY-UHFFFAOYSA-N -1 0 411.870 4.210 50 30 HIEARM Cc1csc(C(C#N)=C([O-])COC(=O)Cc2coc3ccc4ccccc4c23)n1 ZINC000006648678 569081260 /nfs/dbraw/zinc/08/12/60/569081260.db2.gz OYIJEKIIOTUTIG-QGZVFWFLSA-N -1 0 404.447 4.313 50 30 HIEARM COc1ccc(OC)c(N=Nc2c(C)[n-]n(-c3nc(-c4ccccc4)cs3)c2=O)c1 ZINC000252462840 569287004 /nfs/dbraw/zinc/28/70/04/569287004.db2.gz WRSIILFFHXFDDA-UHFFFAOYSA-N -1 0 421.482 4.018 50 30 HIEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2sc3cc(F)ccc3c2Cl)n1 ZINC000007653455 569299051 /nfs/dbraw/zinc/29/90/51/569299051.db2.gz UFWJXKRQQRFELL-NSHDSACASA-N -1 0 408.863 4.492 50 30 HIEARM COc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000008743606 571110904 /nfs/dbraw/zinc/11/09/04/571110904.db2.gz NWTIDBJLCIGLBN-LJQANCHMSA-N -1 0 424.840 4.428 50 30 HIEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000008827560 571122487 /nfs/dbraw/zinc/12/24/87/571122487.db2.gz YOIUGFHYRTXMDK-HXUWFJFHSA-N -1 0 420.421 4.232 50 30 HIEARM Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)sc1C ZINC000008922549 571158878 /nfs/dbraw/zinc/15/88/78/571158878.db2.gz ZRULOLVUMIRUAB-SFHVURJKSA-N -1 0 424.453 4.388 50 30 HIEARM CSc1nc(-c2ccc(C(C)(C)C)cc2)c(C#N)c(N2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000012016257 132353011 /nfs/dbraw/zinc/35/30/11/132353011.db2.gz AIZDSTOIEKNCAK-OAHLLOKOSA-N -1 0 410.543 4.336 50 30 HIEARM C=CCSc1nnc([N-]C(=O)c2cc(-c3ccc4c(c3)C[C@@H](C)O4)on2)s1 ZINC000028286897 519088320 /nfs/dbraw/zinc/08/83/20/519088320.db2.gz ZFSSMYXBDJULIA-SNVBAGLBSA-N -1 0 400.485 4.047 50 30 HIEARM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3cccnc3)sc2c1 ZINC000027987621 526251741 /nfs/dbraw/zinc/25/17/41/526251741.db2.gz PVUPTRRRALAORK-SFHVURJKSA-N -1 0 417.446 4.376 50 30 HIEARM Fc1ccc(OCc2ccc(C=Nn3c(=S)[n-]nc3C(F)(F)F)o2)cc1Cl ZINC000020617920 526357402 /nfs/dbraw/zinc/35/74/02/526357402.db2.gz BRJUDVIHCYFRLX-AERZKKPOSA-N -1 0 420.775 4.432 50 30 HIEARM O=C([O-])c1ccc(-c2ccc(/C=C3/S/C(=N/N=C/c4ccccc4)NC3=O)o2)cc1 ZINC000008826576 526357881 /nfs/dbraw/zinc/35/78/81/526357881.db2.gz QKDLDXCVFZGPJM-CGQBXHPFSA-N -1 0 417.446 4.239 50 30 HIEARM O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CC[C@@H](C(F)(F)F)[N-]C1=O ZINC000103167374 527103040 /nfs/dbraw/zinc/10/30/40/527103040.db2.gz AYXHHTXSFZZGFF-ZJUUUORDSA-N -1 0 422.247 4.120 50 30 HIEARM Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCC(=O)[O-])[C@@H]2c2ccccc2)cc1 ZINC000004310787 557538990 /nfs/dbraw/zinc/53/89/90/557538990.db2.gz CPQGOYQMEKACEG-OAQYLSRUSA-N -1 0 407.466 4.218 50 30 HIEARM Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCC(=O)[O-])[C@H]2c2ccccc2)cc1 ZINC000004310786 557539055 /nfs/dbraw/zinc/53/90/55/557539055.db2.gz CPQGOYQMEKACEG-NRFANRHFSA-N -1 0 407.466 4.218 50 30 HIEARM COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccccc4C)c3=O)n2)cc1 ZINC000004322230 557540900 /nfs/dbraw/zinc/54/09/00/557540900.db2.gz MJOADSUOSVMQMK-CLCOLTQESA-N -1 0 405.483 4.318 50 30 HIEARM CCc1ccc(/N=C2/NC(=O)/C(=C\c3cn(CC(=O)[O-])c4ccccc34)S2)cc1 ZINC000004516835 557562353 /nfs/dbraw/zinc/56/23/53/557562353.db2.gz IFRJTLKJMLMLCQ-YBFXNURJSA-N -1 0 405.479 4.180 50 30 HIEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2cccc(Cl)c2)s1 ZINC000005818714 557676236 /nfs/dbraw/zinc/67/62/36/557676236.db2.gz AXCZJODIMQGIOX-MRXNPFEDSA-N -1 0 411.870 4.283 50 30 HIEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2cccc(Cl)c2)s1 ZINC000005818720 557676311 /nfs/dbraw/zinc/67/63/11/557676311.db2.gz AXCZJODIMQGIOX-INIZCTEOSA-N -1 0 411.870 4.283 50 30 HIEARM Cc1cccc(/N=C2/NC(=O)/C(=C\c3cccn3-c3cccc(C(=O)[O-])c3)S2)c1 ZINC000006276204 557697667 /nfs/dbraw/zinc/69/76/67/557697667.db2.gz WDSVCCCOMZYELL-CPNJWEJPSA-N -1 0 403.463 4.376 50 30 HIEARM CC/N=C1\S/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)cc2)C(=O)N1CC ZINC000097426972 557798208 /nfs/dbraw/zinc/79/82/08/557798208.db2.gz CSDYONZGDMCBNW-NMSSZPRHSA-N -1 0 410.495 4.276 50 30 HIEARM C=CCN1C(=O)[C@@H](Cc2ccc(OCC)cc2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000013154510 558524309 /nfs/dbraw/zinc/52/43/09/558524309.db2.gz PALDENOMWCZACN-VCGVYRDQSA-N -1 0 410.495 4.144 50 30 HIEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(F)cc2)cc1C ZINC000013569446 558844452 /nfs/dbraw/zinc/84/44/52/558844452.db2.gz FBFOQXFDHJGAOE-FQEVSTJZSA-N -1 0 422.412 4.222 50 30 HIEARM CCOc1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc(Br)c1O ZINC000004690368 558899720 /nfs/dbraw/zinc/89/97/20/558899720.db2.gz CSUPLSJRVOZMDP-UFWORHAWSA-N -1 0 413.655 4.351 50 30 HIEARM CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1cc([N+](=O)[O-])ccc1[O-] ZINC000096006238 559089701 /nfs/dbraw/zinc/08/97/01/559089701.db2.gz BPIWXOGOOOPINH-IBGZPJMESA-N -1 0 416.433 4.238 50 30 HIEARM O=c1c(N=Nc2cccc(Cl)c2)c(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1ccccc1 ZINC000100005748 559128528 /nfs/dbraw/zinc/12/85/28/559128528.db2.gz LAEWYEJKAHDNBQ-GFMRDNFCSA-N -1 0 419.828 4.467 50 30 HIEARM Cc1ccc(N=Nc2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c2=O)c(C)c1 ZINC000100512648 559136134 /nfs/dbraw/zinc/13/61/34/559136134.db2.gz DELPAEGPHPTYTD-LVWGJNHUSA-N -1 0 413.437 4.431 50 30 HIEARM Cc1ccc(-c2nc(S[C@H](C)C(=O)Nc3cc(C)ccc3C)[n-]c(=O)c2C#N)cc1 ZINC000005238326 560548778 /nfs/dbraw/zinc/54/87/78/560548778.db2.gz GIZQQLYKEVERBU-MRXNPFEDSA-N -1 0 418.522 4.353 50 30 HIEARM C=CCC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3cc(OC)ccc3OC)cc21 ZINC000005516119 560604128 /nfs/dbraw/zinc/60/41/28/560604128.db2.gz MINTWDRBLXPRRM-UHFFFAOYSA-N -1 0 415.467 4.318 50 30 HIEARM O=C([O-])/C=C1/S/C(=N/C2CCCCC2)N(CCc2c[nH]c3cc(F)ccc23)C1=O ZINC000101379715 560793744 /nfs/dbraw/zinc/79/37/44/560793744.db2.gz FYWJPFIOKCVGRJ-JTNUTMTLSA-N -1 0 415.490 4.082 50 30 HIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)no1 ZINC000102698592 560820125 /nfs/dbraw/zinc/82/01/25/560820125.db2.gz SURBEXHTPUBRBY-SELCWUDQSA-N -1 0 412.804 4.402 50 30 HIEARM CCCOc1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000102701551 560820305 /nfs/dbraw/zinc/82/03/05/560820305.db2.gz ZEFRKOZJBSGZTJ-WOOAAIBNSA-N -1 0 424.478 4.460 50 30 HIEARM CC(C)c1nnc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@@H]2c2cccs2)s1 ZINC000102740465 560824929 /nfs/dbraw/zinc/82/49/29/560824929.db2.gz AXTPTFBQJLNBII-REQDGWNSSA-N -1 0 417.537 4.411 50 30 HIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3cc4ccccc4o3)[C@@H]2c2ccccc2F)no1 ZINC000102799327 560828167 /nfs/dbraw/zinc/82/81/67/560828167.db2.gz OTXVYHTVVXLLTK-NHFXJNLRSA-N -1 0 418.380 4.495 50 30 HIEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000102874135 560830438 /nfs/dbraw/zinc/83/04/38/560830438.db2.gz SIOVVQCRQGUEPH-GROYHEBESA-N -1 0 406.265 4.062 50 30 HIEARM CN1CCc2c(C#N)c(/N=C/c3cc(Cl)cc(Br)c3[O-])sc2C1 ZINC000000830478 568504382 /nfs/dbraw/zinc/50/43/82/568504382.db2.gz YYNLEIVSPBFVCA-IFRROFPPSA-N -1 0 410.724 4.480 50 30 HIEARM C=C(Br)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002243683 569007096 /nfs/dbraw/zinc/00/70/96/569007096.db2.gz BYQROHMHEGJMPD-SFHVURJKSA-N -1 0 416.271 4.277 50 30 HIEARM O=C1Nc2cc(Br)ccc2/C1=C1/[N-]c2cc(Br)ccc2C1=O ZINC000100352537 569052084 /nfs/dbraw/zinc/05/20/84/569052084.db2.gz JCKVHZFGTVQBJM-YPKPFQOOSA-N -1 0 420.060 4.183 50 30 HIEARM CCOc1cccc(-c2n[n-]c(=S)n2N=Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000005408628 569071949 /nfs/dbraw/zinc/07/19/49/569071949.db2.gz IOVCJYKSGLHSAX-VXLYETTFSA-N -1 0 403.851 4.450 50 30 HIEARM Cc1cc(=O)oc2c(C=Nc3ccc(I)cc3)c([O-])ccc12 ZINC000252593887 569296183 /nfs/dbraw/zinc/29/61/83/569296183.db2.gz BOABQVLYEXFVRT-UHFFFAOYSA-N -1 0 405.191 4.162 50 30 HIEARM CN1C(=O)/C(=C\c2ccc(OCC(=O)[O-])cc2)SC1=Nc1ccc(Cl)cc1 ZINC000252603449 569297228 /nfs/dbraw/zinc/29/72/28/569297228.db2.gz FRIVFWHKQVVIPD-NIHZCWFLSA-N -1 0 402.859 4.037 50 30 HIEARM O=c1c(N=Nc2ccc(Cl)c([N+](=O)[O-])c2)c(-c2ccccc2)[n-]n1-c1ccccc1 ZINC000252629060 569311430 /nfs/dbraw/zinc/31/14/30/569311430.db2.gz TXSKKJJVRHDIQA-UHFFFAOYSA-N -1 0 419.828 4.467 50 30 HIEARM CN1C(=O)/C(=C\c2cccc(Br)c2)SC1=Nc1ccc(C(=O)[O-])cc1 ZINC000252642075 569318804 /nfs/dbraw/zinc/31/88/04/569318804.db2.gz ZJQNYLWRUNRCGB-ADRPSFFTSA-N -1 0 417.284 4.381 50 30 HIEARM COc1cccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000008740977 571110601 /nfs/dbraw/zinc/11/06/01/571110601.db2.gz WLGNFZJXEKDATL-LJQANCHMSA-N -1 0 424.840 4.428 50 30 HIEARM COc1cc(/C=C2/COc3c(Cl)cc(Cl)cc3C2=O)ccc1OCC(=O)[O-] ZINC000096998053 852572267 /nfs/dbraw/zinc/57/22/67/852572267.db2.gz QHARDZNISQGXTR-WCIBSUBMSA-N -1 0 409.221 4.124 50 30 HIEARM O=C([O-])c1ccc([N-][NH+]=CC2=C(N3CCOCC3)C(=Cc3ccccc3)CC2)cc1 ZINC000254016437 854209553 /nfs/dbraw/zinc/20/95/53/854209553.db2.gz JKGHEBZJPBMGTF-NWAXCDTKSA-N -1 0 403.482 4.246 50 30 HIEARM C=CCCOc1ccc(-c2nnc(CCC(=O)N[C@@H](C)c3ccccc3)c(=O)[n-]2)cc1 ZINC000034764213 518711449 /nfs/dbraw/zinc/71/14/49/518711449.db2.gz PGVUQYFIKOTRKF-KRWDZBQOSA-N -1 0 418.497 4.009 50 30 HIEARM C=CCc1cc(/C=C2/NC(=O)[N-]C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000033153864 519124763 /nfs/dbraw/zinc/12/47/63/519124763.db2.gz NSQLFLQRBLPAOY-WOJGMQOQSA-N -1 0 412.873 4.227 50 30 HIEARM Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(=O)[O-])c3)[C@H]2c2ccccc2)cc1 ZINC000013004947 526026594 /nfs/dbraw/zinc/02/65/94/526026594.db2.gz SHLJJBWZICOCBX-NRFANRHFSA-N -1 0 413.429 4.476 50 30 HIEARM [O-]c1c(I)cc(Cl)cc1/C=N/c1ccc2c(c1)OCCO2 ZINC000000704798 526331717 /nfs/dbraw/zinc/33/17/17/526331717.db2.gz DDBUDMKFGZEGBA-QGMBQPNBSA-N -1 0 415.614 4.172 50 30 HIEARM O=C([O-])CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1Cl ZINC000027551515 527590490 /nfs/dbraw/zinc/59/04/90/527590490.db2.gz QOXMFLOFWUAFRX-QGZVFWFLSA-N -1 0 420.248 4.046 50 30 HIEARM CC(=O)Nc1ccc(/N=C/c2cc(Cl)cc(I)c2[O-])cc1 ZINC000001029954 557146557 /nfs/dbraw/zinc/14/65/57/557146557.db2.gz OOPGCINBTUTVLL-QGMBQPNBSA-N -1 0 414.630 4.359 50 30 HIEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@@H]2c2ccc(C(C)C)cc2)s1 ZINC000001166002 557220851 /nfs/dbraw/zinc/22/08/51/557220851.db2.gz YEPCABPOALORCV-KRWDZBQOSA-N -1 0 409.467 4.346 50 30 HIEARM O=[N+]([O-])c1cc(Cc2ccccc2)cc(/C=N/c2ccc(N3CCOCC3)cc2)c1[O-] ZINC000002062633 557304616 /nfs/dbraw/zinc/30/46/16/557304616.db2.gz ZZLAGWORHMFDPQ-KOEQRZSOSA-N -1 0 417.465 4.478 50 30 HIEARM Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OCC(=O)[O-])c(Cl)c3)S2)cc1 ZINC000003769804 557498219 /nfs/dbraw/zinc/49/82/19/557498219.db2.gz NJFKXMLSRGNAMO-SXGWCWSVSA-N -1 0 402.859 4.003 50 30 HIEARM COc1ccc(/C=C/C(=O)c2ccccc2[O-])cc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000004652046 557575910 /nfs/dbraw/zinc/57/59/10/557575910.db2.gz OSOYNAJDOICEPU-CSKARUKUSA-N -1 0 407.426 4.067 50 30 HIEARM CN(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2ccccc2Br)cc1 ZINC000005795427 557674903 /nfs/dbraw/zinc/67/49/03/557674903.db2.gz VNLPQVPTLITAJC-YBFXNURJSA-N -1 0 402.321 4.318 50 30 HIEARM COc1cc(-c2n[n-]c(=S)n2N=Cc2cccc(Cl)c2)cc(OC)c1OC ZINC000006004619 557683898 /nfs/dbraw/zinc/68/38/98/557683898.db2.gz ZRJWEFUVYFPVEP-KEBDBYFISA-N -1 0 404.879 4.169 50 30 HIEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nncs3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000008915048 557813872 /nfs/dbraw/zinc/81/38/72/557813872.db2.gz ICZSWLAYMTUNRM-INIZCTEOSA-N -1 0 411.870 4.283 50 30 HIEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nccs3)[C@H]2c2ccc(F)cc2)cc1 ZINC000009333872 557837612 /nfs/dbraw/zinc/83/76/12/557837612.db2.gz LGMFGWATOFZWSB-SFHVURJKSA-N -1 0 424.453 4.464 50 30 HIEARM COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(OC)c(Br)c2)cc1 ZINC000009359459 557839501 /nfs/dbraw/zinc/83/95/01/557839501.db2.gz BDAWAHDKHISJDY-VXLYETTFSA-N -1 0 419.304 4.270 50 30 HIEARM CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCC(=O)[O-])cc1 ZINC000019788950 558282023 /nfs/dbraw/zinc/28/20/23/558282023.db2.gz NWNVATKGRBJVCN-OAQYLSRUSA-N -1 0 407.466 4.253 50 30 HIEARM O=C([O-])[C@@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccc(OC(F)(F)F)cc2)S1 ZINC000012376496 558392062 /nfs/dbraw/zinc/39/20/62/558392062.db2.gz WNDPOWHXYVZJNT-ACNSNUFOSA-N -1 0 424.400 4.192 50 30 HIEARM O=c1c(N=Nc2ccc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1ccccc1 ZINC000013895810 558600380 /nfs/dbraw/zinc/60/03/80/558600380.db2.gz MEEXSNODCYUPOE-HIXSDJFHSA-N -1 0 419.828 4.467 50 30 HIEARM Cc1cccc2c1nc1[n-]c(NN=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)nnc2-1 ZINC000015015570 558701564 /nfs/dbraw/zinc/70/15/64/558701564.db2.gz HOHJYGFVYDQCDQ-SSDVNMTOSA-N -1 0 413.397 4.429 50 30 HIEARM Cc1cccc2c1nc1[n-]c(NN=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)nnc2-1 ZINC000015016511 558702270 /nfs/dbraw/zinc/70/22/70/558702270.db2.gz DCSUBWOMRNKPCO-SSDVNMTOSA-N -1 0 413.397 4.429 50 30 HIEARM CCN1C(=O)/C(=C\c2ccc(OC)cc2OC)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000004682163 558894945 /nfs/dbraw/zinc/89/49/45/558894945.db2.gz HOYGWQXRQNZULT-ZIKOHYJISA-N -1 0 412.467 4.026 50 30 HIEARM Cc1ccc(-c2noc(-c3ccccc3S(=O)(=O)[N-]c3ccc(C#N)cc3)n2)cc1 ZINC000033175623 558904996 /nfs/dbraw/zinc/90/49/96/558904996.db2.gz OSTDOGPLYSZFKY-UHFFFAOYSA-N -1 0 416.462 4.385 50 30 HIEARM C=CCN1C(=O)[C@@H](Cc2ccccc2Cl)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000061963750 558947493 /nfs/dbraw/zinc/94/74/93/558947493.db2.gz JAMBIMPRQMBAGU-MBOBHEEDSA-N -1 0 400.887 4.398 50 30 HIEARM CC(C)C[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000097990131 559010986 /nfs/dbraw/zinc/01/09/86/559010986.db2.gz ABAJBXMVPKATGV-UHFFFAOYSA-N -1 0 419.181 4.497 50 30 HIEARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1cccc([N+](=O)[O-])c1F ZINC000100006039 559128505 /nfs/dbraw/zinc/12/85/05/559128505.db2.gz IMYWBAXJZQCLBV-HAVVHWLPSA-N -1 0 424.417 4.048 50 30 HIEARM CCOc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)[n-]c(=O)c2C#N)cc1 ZINC000012411963 560211877 /nfs/dbraw/zinc/21/18/77/560211877.db2.gz QZLLHUFXFQXWMJ-UHFFFAOYSA-N -1 0 406.438 4.005 50 30 biogenic,in-vitro HIEARM Cc1ccc(-c2nc(SCC(=O)Nc3cccc(Cl)c3)[n-]c(=O)c2C#N)cc1 ZINC000005238307 560548845 /nfs/dbraw/zinc/54/88/45/560548845.db2.gz LAAKSIXOBSBQNL-UHFFFAOYSA-N -1 0 410.886 4.001 50 30 HIEARM COc1ccccc1/C=C1\S/C(=N/c2ccc(Cl)c(C(=O)[O-])c2)N(C)C1=O ZINC000005558021 560614301 /nfs/dbraw/zinc/61/43/01/560614301.db2.gz DMTUOWPOVFZCMG-VIYXUHAESA-N -1 0 402.859 4.281 50 30 HIEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000101294122 560790999 /nfs/dbraw/zinc/79/09/99/560790999.db2.gz YSVDKBMSNIWAGB-NHFXJNLRSA-N -1 0 420.421 4.076 50 30 HIEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000101294499 560791063 /nfs/dbraw/zinc/79/10/63/560791063.db2.gz CSHIGTSVHBUETE-LFVOPCPISA-N -1 0 422.462 4.236 50 30 HIEARM CCCOc1cccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000102727014 560821952 /nfs/dbraw/zinc/82/19/52/560821952.db2.gz MCOJDESBGMRDBM-WOOAAIBNSA-N -1 0 424.478 4.460 50 30 HIEARM COc1cccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000102804127 560826749 /nfs/dbraw/zinc/82/67/49/560826749.db2.gz YMNYVQGHIWAMPM-LFVOPCPISA-N -1 0 424.840 4.271 50 30 HIEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(F)cc2)cc1 ZINC000102804305 560826777 /nfs/dbraw/zinc/82/67/77/560826777.db2.gz MUEWLLNJFMJXRO-NHFXJNLRSA-N -1 0 422.412 4.147 50 30 HIEARM COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(OC)c2)cc1 ZINC000102801401 560828596 /nfs/dbraw/zinc/82/85/96/560828596.db2.gz GVADVLMCLVJTDA-HOGKFDNTSA-N -1 0 415.445 4.330 50 30 HIEARM Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(=O)[O-])c3)[C@H]2c2ccccc2)cc1 ZINC000102857610 560831010 /nfs/dbraw/zinc/83/10/10/560831010.db2.gz RMXMBBMZVGGVEK-MRJHHRETSA-N -1 0 413.429 4.320 50 30 HIEARM O=C1c2ccccc2C(=O)C1=Cc1cc(Br)c([O-])c(Br)c1 ZINC000003370948 568857625 /nfs/dbraw/zinc/85/76/25/568857625.db2.gz HOWWKPJJVJIFPB-UHFFFAOYSA-N -1 0 408.045 4.380 50 30 HIEARM Cc1c(C#N)c([N-]C(=O)c2ccc([N+](=O)[O-])o2)sc1Cc1ccc2c(c1)OCO2 ZINC000004087328 568940882 /nfs/dbraw/zinc/94/08/82/568940882.db2.gz LIHAJQJIJREJNB-UHFFFAOYSA-N -1 0 411.395 4.001 50 30 HIEARM N#Cc1ccccc1C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000004218143 568951904 /nfs/dbraw/zinc/95/19/04/568951904.db2.gz ACFGBBASKOIPEW-HSZRJFAPSA-N -1 0 412.445 4.093 50 30 HIEARM N#Cc1cccc([N-]S(=O)(=O)c2cc(-c3noc(C4CCCC4)n3)cs2)c1 ZINC000065009808 569153427 /nfs/dbraw/zinc/15/34/27/569153427.db2.gz OULGSLGGCGHTPK-UHFFFAOYSA-N -1 0 400.485 4.128 50 30 HIEARM CC(C)(C)[C@H]1CCc2c(C#N)c(N3C(=O)c4ccc(C(=O)[O-])cc4C3=O)sc2C1 ZINC000013580075 569256485 /nfs/dbraw/zinc/25/64/85/569256485.db2.gz QXMHGAKDNUYASZ-LBPRGKRZSA-N -1 0 408.479 4.270 50 30 HIEARM COc1ccc(N=Cc2cc(Cl)cc(I)c2[O-])cc1OC ZINC000252625218 569310100 /nfs/dbraw/zinc/31/01/00/569310100.db2.gz QFKYBINTCNYOGL-UHFFFAOYSA-N -1 0 417.630 4.418 50 30 HIEARM C=CCn1cc(-c2ccccc2)nc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000016711752 571304427 /nfs/dbraw/zinc/30/44/27/571304427.db2.gz OCGYQLNXUVYRFP-UHFFFAOYSA-N -1 0 418.316 4.299 50 30 HIEARM O=C([O-])C(=O)/C(=C/c1cnn(Cc2ccccc2Cl)c1)c1ccc2ccccc2n1 ZINC000012521637 845876573 /nfs/dbraw/zinc/87/65/73/845876573.db2.gz QYZSLBJOLYHOIK-WOJGMQOQSA-N -1 0 417.852 4.327 50 30 HIEARM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)c1 ZINC000089292163 518340210 /nfs/dbraw/zinc/34/02/10/518340210.db2.gz OVNFLRNMCHIYGD-OCCSQVGLSA-N -1 0 413.829 4.270 50 30 HIEARM C=CCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000054073575 518825786 /nfs/dbraw/zinc/82/57/86/518825786.db2.gz BRKDHPFOXCWTGT-ZQRXGZGKSA-N -1 0 424.478 4.192 50 30 HIEARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1 ZINC000027497366 520896759 /nfs/dbraw/zinc/89/67/59/520896759.db2.gz HYMGSGDVEPTAQT-PTGBLXJZSA-N -1 0 420.454 4.217 50 30 HIEARM COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2CC(=O)[O-])cc1 ZINC000004702276 557584002 /nfs/dbraw/zinc/58/40/02/557584002.db2.gz VUWOEYCBCLCOAK-QHCPKHFHSA-N -1 0 406.482 4.396 50 30 HIEARM COc1cc(-c2n[n-]c(=S)n2N=CC(C)=Cc2ccco2)cc(OC)c1OC ZINC000005665501 557667385 /nfs/dbraw/zinc/66/73/85/557667385.db2.gz NSKOQDGZUQPONN-RKHLGMAXSA-N -1 0 400.460 4.164 50 30 HIEARM O=C([O-])[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)CC1CCOCC1 ZINC000328598363 558430706 /nfs/dbraw/zinc/43/07/06/558430706.db2.gz LUHIUFUMIGTUMO-KRWDZBQOSA-N -1 0 409.482 4.247 50 30 HIEARM COc1cc(/C=C2\S/C(=N/c3ccc(C)c(Cl)c3)NC2=O)cc([N+](=O)[O-])c1[O-] ZINC000016267603 558782472 /nfs/dbraw/zinc/78/24/72/558782472.db2.gz YACIAZJKZUZVJP-CHHVJCJISA-N -1 0 419.846 4.162 50 30 HIEARM CC(C)c1nnc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@H]2c2ccco2)s1 ZINC000013692226 558855968 /nfs/dbraw/zinc/85/59/68/558855968.db2.gz WRTQIDNBTWSNDQ-CYBMUJFWSA-N -1 0 401.469 4.099 50 30 HIEARM Cc1ccc(/N=C2/S/C(=C\c3ccc(OCC(=O)[O-])c(Cl)c3)C(=O)N2C)cc1 ZINC000004678871 558890061 /nfs/dbraw/zinc/89/00/61/558890061.db2.gz XUTIZOBKQKCHQG-LVVZJAEZSA-N -1 0 416.886 4.346 50 30 HIEARM COc1ccc(Cl)cc1/C=C1\S/C(=N/c2ccc(C(=O)[O-])cc2)N(C)C1=O ZINC000097406801 559118552 /nfs/dbraw/zinc/11/85/52/559118552.db2.gz NSPPTAWOGWRBCU-PMDYYOJLSA-N -1 0 402.859 4.281 50 30 HIEARM CCc1cccc(C)c1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(C#N)c(=O)[n-]1 ZINC000005238251 560548633 /nfs/dbraw/zinc/54/86/33/560548633.db2.gz HGYLHPJDYGXVGS-HNNXBMFYSA-N -1 0 418.522 4.299 50 30 HIEARM C[C@H](Sc1nc(-c2ccccc2)c(C#N)c(=O)[n-]1)C(=O)Nc1ccccc1Cl ZINC000005238246 560548671 /nfs/dbraw/zinc/54/86/71/560548671.db2.gz HWSJIYPTZJPCTF-LBPRGKRZSA-N -1 0 410.886 4.081 50 30 HIEARM Cc1ccc(-c2nc(SCC(=O)Nc3ccc(C(C)C)cc3)[n-]c(=O)c2C#N)cc1 ZINC000005238308 560548764 /nfs/dbraw/zinc/54/87/64/560548764.db2.gz RTSYYNOLUJNDCN-UHFFFAOYSA-N -1 0 418.522 4.471 50 30 HIEARM O=c1c(N=Nc2ccc(F)cc2)c(CSc2ccccn2)[n-]n1-c1ccccc1 ZINC000017784094 560728208 /nfs/dbraw/zinc/72/82/08/560728208.db2.gz JSUUMCHBUIMXKU-QQTULTPQSA-N -1 0 405.458 4.184 50 30 HIEARM C=CCN1C(=O)C(=O)C(=C([O-])c2ccc(Br)cc2)[C@H]1c1cccc(F)c1 ZINC000101247306 560789581 /nfs/dbraw/zinc/78/95/81/560789581.db2.gz DWISLYNNRPDGGK-GROYHEBESA-N -1 0 416.246 4.196 50 30 HIEARM O=c1c(N=Nc2ccc(Cl)c([N+](=O)[O-])c2)c(-c2ccccc2)[n-]n1-c1ccccc1 ZINC000101436537 560794972 /nfs/dbraw/zinc/79/49/72/560794972.db2.gz TXSKKJJVRHDIQA-HIXSDJFHSA-N -1 0 419.828 4.467 50 30 HIEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccco2)cc1 ZINC000102495222 560812302 /nfs/dbraw/zinc/81/23/02/560812302.db2.gz BVDMCHIWPPTVAG-SELCWUDQSA-N -1 0 424.478 4.378 50 30 HIEARM O=C1C(=O)N(Cc2ccco2)[C@@H](c2ccc(O)cc2)C1=C([O-])c1ccc(Cl)cc1 ZINC000102601448 560817773 /nfs/dbraw/zinc/81/77/73/560817773.db2.gz IZFSJLXTEVOPPY-WOOAAIBNSA-N -1 0 409.825 4.261 50 30 HIEARM COc1cccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Cl)c2)c1 ZINC000102723197 560821591 /nfs/dbraw/zinc/82/15/91/560821591.db2.gz NZBALOZENFAYOM-WOOAAIBNSA-N -1 0 424.840 4.271 50 30 HIEARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@H](c1ccc(Br)cc1)C(C#N)C#N ZINC000000837277 568514808 /nfs/dbraw/zinc/51/48/08/568514808.db2.gz XREZHCRBWZQGBU-RBUKOAKNSA-N -1 0 407.271 4.235 50 30 HIEARM CCOc1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000001451104 568692341 /nfs/dbraw/zinc/69/23/41/568692341.db2.gz JXJBWCVCIFYUKS-GOSISDBHSA-N -1 0 410.451 4.226 50 30 HIEARM COc1cccc(C([O-])=CC(=O)C(=O)Nc2cc(C)c(C)cc2Br)c1 ZINC000334163156 568763855 /nfs/dbraw/zinc/76/38/55/568763855.db2.gz MTQRGALVCGKJDG-ZDLGFXPLSA-N -1 0 404.260 4.338 50 30 HIEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(Cl)cc2)s1 ZINC000002501855 568777155 /nfs/dbraw/zinc/77/71/55/568777155.db2.gz ZCGXZYCPFPUJEQ-MRXNPFEDSA-N -1 0 411.870 4.283 50 30 HIEARM CN(C(=O)C(F)(F)F)c1ccccc1C([O-])=C(C#N)c1nc2ccccc2s1 ZINC000003192116 568860772 /nfs/dbraw/zinc/86/07/72/568860772.db2.gz XWTLDYJOXOKVAQ-LBPRGKRZSA-N -1 0 403.385 4.311 50 30 HIEARM Cc1ccc([O-])c(C(=O)c2cc(C#N)c(=O)n(-c3ccc(SC(F)F)cc3)c2)c1 ZINC000003344457 568884355 /nfs/dbraw/zinc/88/43/55/568884355.db2.gz GHVHWGZMZNNYCX-UHFFFAOYSA-N -1 0 412.417 4.269 50 30 HIEARM C=C(C)COc1ccc([C@H](CC(=O)OC)C2=C([O-])c3ccccc3C(=O)C2=O)cc1 ZINC000217933174 568920266 /nfs/dbraw/zinc/92/02/66/568920266.db2.gz HEFSHJXTMXQXQF-IBGZPJMESA-N -1 0 406.434 4.180 50 30 HIEARM CC(C)(C)[C@@H]1CCc2c(C#N)c(N3C(=O)c4ccc(C(=O)[O-])cc4C3=O)sc2C1 ZINC000013580073 569256486 /nfs/dbraw/zinc/25/64/86/569256486.db2.gz QXMHGAKDNUYASZ-GFCCVEGCSA-N -1 0 408.479 4.270 50 30 HIEARM COc1cccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000008739599 571110275 /nfs/dbraw/zinc/11/02/75/571110275.db2.gz QGXJUSWVFBGRSX-LJQANCHMSA-N -1 0 424.840 4.428 50 30 HIEARM COc1ccc(-c2nc(N3CCC[C@H]3c3ccc(OC)cc3)[n-]c(=O)c2C#N)cc1 ZINC000040122667 571178479 /nfs/dbraw/zinc/17/84/79/571178479.db2.gz YHKUAMUBGLZWOR-FQEVSTJZSA-N -1 0 402.454 4.080 50 30 HIEARM COc1ccc(-c2nc(N3CCC(Cc4ccccc4)CC3)[n-]c(=O)c2C#N)cc1 ZINC000040122657 571178519 /nfs/dbraw/zinc/17/85/19/571178519.db2.gz FKMRDXSNMUGILF-UHFFFAOYSA-N -1 0 400.482 4.189 50 30 HIEARM C[C@H](c1ccccc1)n1cc(C(=O)c2cc(Br)ccc2[O-])cc(C#N)c1=O ZINC000009440198 571258957 /nfs/dbraw/zinc/25/89/57/571258957.db2.gz QZOHBUVSKNETHK-CYBMUJFWSA-N -1 0 423.266 4.028 50 30 HIEARM CC1=NOC(=O)/C1=C\c1ccc(OCc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000009805649 520900971 /nfs/dbraw/zinc/90/09/71/520900971.db2.gz TWAYSZFEKLLVOI-NVNXTCNLSA-N -1 0 416.227 4.042 50 30 HIEARM O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccc(Cl)cc2)C1=C([O-])c1ccccc1 ZINC000102929733 526955222 /nfs/dbraw/zinc/95/52/22/526955222.db2.gz LRDWYQHWUFTIDC-NHFXJNLRSA-N -1 0 404.853 4.357 50 30 HIEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@H]2c2ccc(C(C)C)cc2)s1 ZINC000001166003 557220805 /nfs/dbraw/zinc/22/08/05/557220805.db2.gz YEPCABPOALORCV-QGZVFWFLSA-N -1 0 409.467 4.346 50 30 HIEARM COc1cc(C=Nn2c(=S)[n-]nc2-c2ccc(C)cc2)cc(Br)c1O ZINC000001248858 557251493 /nfs/dbraw/zinc/25/14/93/557251493.db2.gz NSRVLRWXKLCRSB-DJKKODMXSA-N -1 0 419.304 4.275 50 30 HIEARM CCCCCCCOC(=O)c1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1 ZINC000002923787 557427401 /nfs/dbraw/zinc/42/74/01/557427401.db2.gz RKMXASNHKVVNJB-UHFFFAOYSA-N -1 0 409.438 4.313 50 30 HIEARM Cc1ccc(C)c(S(=O)(=O)[N-]C(=O)c2cc(Cl)ccc2Br)c1 ZINC000097465368 557808354 /nfs/dbraw/zinc/80/83/54/557808354.db2.gz WDLLYBKWVUGPEU-UHFFFAOYSA-N -1 0 402.697 4.413 50 30 HIEARM CCN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000097466986 557809168 /nfs/dbraw/zinc/80/91/68/557809168.db2.gz DSJKTEPZUHUYKQ-PMDYYOJLSA-N -1 0 402.859 4.368 50 30 HIEARM O=C([O-])c1cc(/C=N/c2ccccc2I)nc2ccccc21 ZINC000102457871 559150458 /nfs/dbraw/zinc/15/04/58/559150458.db2.gz NXOYDOBCEYPNJO-VXLYETTFSA-N -1 0 402.191 4.288 50 30 HIEARM CCCOC(=O)c1ccc(CSc2nc(-c3ccccc3)c(C#N)c(=O)[n-]2)cc1 ZINC000005238202 560548640 /nfs/dbraw/zinc/54/86/40/560548640.db2.gz IEHWBWREHAFJQI-UHFFFAOYSA-N -1 0 405.479 4.168 50 30 HIEARM C[C@@H](Oc1cccc(C#N)c1)C(=O)[N-]S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000062581619 560632069 /nfs/dbraw/zinc/63/20/69/560632069.db2.gz VESNAUBNXXQRDN-MRXNPFEDSA-N -1 0 406.463 4.338 50 30 HIEARM COc1cccc(OCc2cc(C=NNc3ccccc3C(=O)[O-])ccc2OC)c1 ZINC000005721050 560853839 /nfs/dbraw/zinc/85/38/39/560853839.db2.gz LLIABAHSTMFPLH-ZVHZXABRSA-N -1 0 406.438 4.427 50 30 HIEARM CCc1c(C)sc([N-]C(NC(=O)C(C)C)(C(F)(F)F)C(F)(F)F)c1C#N ZINC000000721284 568466270 /nfs/dbraw/zinc/46/62/70/568466270.db2.gz VLMZZMKUXJYHPF-UHFFFAOYSA-N -1 0 401.376 4.496 50 30 HIEARM Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCC(=O)[O-])cc1 ZINC000020081132 568587744 /nfs/dbraw/zinc/58/77/44/568587744.db2.gz HFGPCUCMZRNFHX-LJQANCHMSA-N -1 0 413.857 4.092 50 30 HIEARM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)OCc2ccc(C#N)cc2)c1 ZINC000003278329 568871233 /nfs/dbraw/zinc/87/12/33/568871233.db2.gz JDKZLVCZNNPNIN-UHFFFAOYSA-N -1 0 420.490 4.333 50 30 HIEARM C=CCOc1ccccc1/C=C1/SC(=S)N([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000002381894 569007179 /nfs/dbraw/zinc/00/71/79/569007179.db2.gz XFSANHVXIRLBRL-VJSYINPZSA-N -1 0 411.504 4.279 50 30 HIEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2cccnc2Sc2ccccc2)n1 ZINC000006606117 569071215 /nfs/dbraw/zinc/07/12/15/569071215.db2.gz YLDKKNFSWIOLFC-MRXNPFEDSA-N -1 0 409.492 4.031 50 30 HIEARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000252623431 569308346 /nfs/dbraw/zinc/30/83/46/569308346.db2.gz ORCUAQQCJFNNGJ-UHFFFAOYSA-N -1 0 420.454 4.217 50 30 HIEARM N#Cc1c(=O)[n-]c(SCC(=O)Nc2ccc(F)c(Cl)c2)nc1-c1ccccc1 ZINC000009042020 569391293 /nfs/dbraw/zinc/39/12/93/569391293.db2.gz GFMOATJWUGHPDN-UHFFFAOYSA-N -1 0 414.849 4.244 50 30 HIEARM N#Cc1ccccc1Sc1ccccc1C(=O)OCc1nc(=O)c2sccc2[n-]1 ZINC000013112670 569409296 /nfs/dbraw/zinc/40/92/96/569409296.db2.gz IKGHFMFYESGXTA-UHFFFAOYSA-N -1 0 419.487 4.364 50 30 HIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2cccc(O)c2)no1 ZINC000008996652 571208819 /nfs/dbraw/zinc/20/88/19/571208819.db2.gz ZKNXEMNJMYWAMQ-SFHVURJKSA-N -1 0 410.813 4.125 50 30 HIEARM Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c(C#N)c(=O)[n-]1 ZINC000009042054 571214986 /nfs/dbraw/zinc/21/49/86/571214986.db2.gz KZJJUWDADXRTKZ-CYBMUJFWSA-N -1 0 424.913 4.390 50 30 HIEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2F)cc1C ZINC000009313110 571247091 /nfs/dbraw/zinc/24/70/91/571247091.db2.gz WJDCDIDPCJWNCC-FQEVSTJZSA-N -1 0 422.412 4.222 50 30 HIEARM COC(=O)c1ccc(/N=C/c2cc(Cl)cc(I)c2[O-])cc1 ZINC000000711808 557066409 /nfs/dbraw/zinc/06/64/09/557066409.db2.gz BWQYQAHKUILPDE-QGMBQPNBSA-N -1 0 415.614 4.187 50 30 HIEARM C[C@@H](Oc1ccc(/C=C2/S/C(=N\c3cccc(Cl)c3)NC2=O)cc1)C(=O)[O-] ZINC000004695963 557582396 /nfs/dbraw/zinc/58/23/96/557582396.db2.gz XPXQYTMSYFEEPC-LKBVRNOZSA-N -1 0 402.859 4.084 50 30 HIEARM O=C([O-])CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1F ZINC000006813763 557724533 /nfs/dbraw/zinc/72/45/33/557724533.db2.gz SUGZYQCNKLXHLV-HXUWFJFHSA-N -1 0 411.429 4.049 50 30 HIEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(CCc3c[nH]cn3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000008715657 557801332 /nfs/dbraw/zinc/80/13/32/557801332.db2.gz MXMYZLUFUVDVGX-HXUWFJFHSA-N -1 0 421.884 4.193 50 30 HIEARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccccc1[N+](=O)[O-] ZINC000012275674 558363884 /nfs/dbraw/zinc/36/38/84/558363884.db2.gz BOXVVCMLUWZEPU-NKFKGCMQSA-N -1 0 420.454 4.217 50 30 HIEARM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1N=Nc1nccs1 ZINC000100538410 558782264 /nfs/dbraw/zinc/78/22/64/558782264.db2.gz HVVPWSDOQIRWTH-DEDYPNTBSA-N -1 0 402.892 4.111 50 30 HIEARM CC(=NNc1ccc(S(=O)(=O)[O-])cc1)c1ccc(NC(=O)c2ccc(C)cc2)cc1 ZINC000016513472 558795043 /nfs/dbraw/zinc/79/50/43/558795043.db2.gz MYRVFKDGCCQMJY-LFVJCYFKSA-N -1 0 423.494 4.330 50 30 HIEARM COc1cccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Cl)c2)c1 ZINC000013570461 558844356 /nfs/dbraw/zinc/84/43/56/558844356.db2.gz HSNGYUXQCGISBC-IBGZPJMESA-N -1 0 424.840 4.428 50 30 HIEARM O=c1c(N=Nc2cccc(Cl)c2)c(-c2ccccc2)[n-]n1-c1ccc([N+](=O)[O-])cc1 ZINC000100005994 559128533 /nfs/dbraw/zinc/12/85/33/559128533.db2.gz LBJWXPKAHPPWJP-HIXSDJFHSA-N -1 0 419.828 4.467 50 30 HIEARM Cc1[n-]n(-c2nc(C(C)(C)C)cs2)c(=O)c1N=Nc1ccc(Br)cc1 ZINC000100006102 559128546 /nfs/dbraw/zinc/12/85/46/559128546.db2.gz XFKRWIDRDUKSRE-KGENOOAVSA-N -1 0 420.336 4.394 50 30 HIEARM C[C@@H](Sc1nc(-c2ccccc2)c(C#N)c(=O)[n-]1)C(=O)Nc1ccccc1Cl ZINC000005238247 560548675 /nfs/dbraw/zinc/54/86/75/560548675.db2.gz HWSJIYPTZJPCTF-GFCCVEGCSA-N -1 0 410.886 4.081 50 30 HIEARM Cc1ccc(-c2nc(S[C@H](C)C(=O)Nc3cccc(C)c3C)[n-]c(=O)c2C#N)cc1 ZINC000005238322 560548863 /nfs/dbraw/zinc/54/88/63/560548863.db2.gz DZCNYOAPXZNYJN-MRXNPFEDSA-N -1 0 418.522 4.353 50 30 HIEARM C=CCN1C(=O)C(=O)C(=C([O-])c2ccc(Br)cc2)[C@@H]1c1cccc(F)c1 ZINC000101247309 560789585 /nfs/dbraw/zinc/78/95/85/560789585.db2.gz DWISLYNNRPDGGK-HVESIFNPSA-N -1 0 416.246 4.196 50 30 HIEARM O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccc(Cl)cc2)C1=C([O-])c1ccc(F)cc1 ZINC000102649393 560818967 /nfs/dbraw/zinc/81/89/67/560818967.db2.gz SIPMKSJJVYXRTR-NHFXJNLRSA-N -1 0 422.843 4.496 50 30 HIEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccccc1 ZINC000102802989 560826416 /nfs/dbraw/zinc/82/64/16/560826416.db2.gz MQQDJCAHHZTWOH-MOBKVPTQSA-N -1 0 423.509 4.098 50 30 HIEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2F)cc1 ZINC000102886181 560834188 /nfs/dbraw/zinc/83/41/88/560834188.db2.gz PORKRXRUIDERGA-YDJIHCHBSA-N -1 0 422.412 4.147 50 30 HIEARM Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@H]2c2ccc(O)cc2)sc1C ZINC000102933193 560835563 /nfs/dbraw/zinc/83/55/63/560835563.db2.gz BWNPUCOGIDHOLI-SELCWUDQSA-N -1 0 424.453 4.231 50 30 HIEARM COC(=O)c1ccccc1N=C(C)c1c(C)[n-]n(-c2nc3ccccc3s2)c1=O ZINC000005721394 560853846 /nfs/dbraw/zinc/85/38/46/560853846.db2.gz AZEBMMZXNYMZTC-WSDLNYQXSA-N -1 0 406.467 4.423 50 30 HIEARM O=C1C(=O)N(c2nncs2)[C@H](c2ccccc2Cl)C1=C([O-])c1ccc(F)cc1 ZINC000000934466 568751648 /nfs/dbraw/zinc/75/16/48/568751648.db2.gz JHLICAGJXXRYAK-OAHLLOKOSA-N -1 0 415.833 4.114 50 30 HIEARM COC(=O)C[C@@H](c1ccc(OC(C)C)c(OC)c1)C1=C([O-])c2ccccc2C(=O)C1=O ZINC000217595414 568896628 /nfs/dbraw/zinc/89/66/28/568896628.db2.gz IPOUIVBUPOOQBE-KRWDZBQOSA-N -1 0 424.449 4.020 50 30 HIEARM C[C@H](NC(=O)CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[n-]1)c1ccccc1 ZINC000015859832 569015410 /nfs/dbraw/zinc/01/54/10/569015410.db2.gz YUTBSNGEKLSJCZ-ZDUSSCGKSA-N -1 0 424.913 4.344 50 30 HIEARM CCOc1cccc(-c2n[n-]c(=S)n2N=Cc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000005408632 569071939 /nfs/dbraw/zinc/07/19/39/569071939.db2.gz ZGKFLDFPFLUDLU-VXLYETTFSA-N -1 0 403.851 4.450 50 30 HIEARM CC(=O)Nc1ccc(N=Cc2cc(Cl)cc(I)c2[O-])cc1 ZINC000252623332 569308331 /nfs/dbraw/zinc/30/83/31/569308331.db2.gz OOPGCINBTUTVLL-UHFFFAOYSA-N -1 0 414.630 4.359 50 30 HIEARM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1N=Nc1ccc(O)cc1 ZINC000252630046 569311520 /nfs/dbraw/zinc/31/15/20/569311520.db2.gz UTHLDCICZMTIBC-UHFFFAOYSA-N -1 0 411.874 4.360 50 30 HIEARM CCOc1ccc(N=Nc2c(C)[n-]n(-c3nc(-c4ccccc4)cs3)c2=O)cc1 ZINC000252633151 569314078 /nfs/dbraw/zinc/31/40/78/569314078.db2.gz WALDGNUIZRWTJV-UHFFFAOYSA-N -1 0 405.483 4.399 50 30 HIEARM C=CCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000009009290 571210098 /nfs/dbraw/zinc/21/00/98/571210098.db2.gz VHLUYLQYNICPJF-UHFFFAOYSA-N -1 0 409.298 4.335 50 30 HIEARM C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3ccc(OCC(=O)[O-])cc3)c12 ZINC000098001135 852649142 /nfs/dbraw/zinc/64/91/42/852649142.db2.gz VRRCWKZWOMIZRA-RAXLEYEMSA-N -1 0 415.449 4.143 50 30 HIEARM C=CCOc1c(Br)c(Br)c(/C=C/C(=O)[O-])cc1OCC ZINC000022077369 518999221 /nfs/dbraw/zinc/99/92/21/518999221.db2.gz WLVQCCRSJYXCHC-AATRIKPKSA-N -1 0 406.070 4.273 50 30 HIEARM C=CCOc1ccc(C=C2SC(Nc3cccc(C(=O)[O-])c3)=NC2=O)cc1OC ZINC000027571852 519014564 /nfs/dbraw/zinc/01/45/64/519014564.db2.gz XABHIPQHJLMKNT-WOJGMQOQSA-N -1 0 410.451 4.041 50 30 HIEARM CCOC(=O)c1ccc(N2CCOCC2)c(/N=C/c2cc(Cl)cc(Cl)c2[O-])c1 ZINC000001037223 521487729 /nfs/dbraw/zinc/48/77/29/521487729.db2.gz CXYTYYHWHCIQQB-FSJBWODESA-N -1 0 423.296 4.463 50 30 HIEARM COc1cccc(-c2n[n-]c(=S)n2N=Cc2cc(Br)ccc2OC)c1 ZINC000009332434 559073749 /nfs/dbraw/zinc/07/37/49/559073749.db2.gz ZWYKLWVVDJFMTM-VXLYETTFSA-N -1 0 419.304 4.270 50 30 HIEARM Cc1ccc(N=Nc2c(-c3ccccc3)[n-]n(-c3ccc([N+](=O)[O-])cc3)c2=O)c(C)c1 ZINC000095215281 559079426 /nfs/dbraw/zinc/07/94/26/559079426.db2.gz LTXPGCSTSMOQFU-YYDJUVGSSA-N -1 0 413.437 4.431 50 30 HIEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000101294123 560791097 /nfs/dbraw/zinc/79/10/97/560791097.db2.gz YSVDKBMSNIWAGB-YDJIHCHBSA-N -1 0 420.421 4.076 50 30 HIEARM CC(C)c1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nncs2)cc1 ZINC000102401960 560810691 /nfs/dbraw/zinc/81/06/91/560810691.db2.gz YTDSKJXBGPEFGA-IBOXJLQUSA-N -1 0 411.508 4.349 50 30 HIEARM COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccccc2)cc1Cl ZINC000102501125 560812541 /nfs/dbraw/zinc/81/25/41/560812541.db2.gz OYTYVXKMVZWOHR-NHFXJNLRSA-N -1 0 420.852 4.370 50 30 HIEARM CCCOc1cccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000102727011 560821990 /nfs/dbraw/zinc/82/19/90/560821990.db2.gz MCOJDESBGMRDBM-LFVOPCPISA-N -1 0 424.478 4.460 50 30 HIEARM COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(OC)c2)cc1 ZINC000102801404 560828605 /nfs/dbraw/zinc/82/86/05/560828605.db2.gz GVADVLMCLVJTDA-MOBKVPTQSA-N -1 0 415.445 4.330 50 30 HIEARM C=C(C)COc1cc([C@@H](CC(=O)OC)c2c([O-])c3ccccc3oc2=O)ccc1OC ZINC000217988066 568922094 /nfs/dbraw/zinc/92/20/94/568922094.db2.gz PNFQCQGPCIQHPH-QGZVFWFLSA-N -1 0 424.449 4.157 50 30 HIEARM Cc1ccc(C(=O)C=CNc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)cc1 ZINC000006072837 568992858 /nfs/dbraw/zinc/99/28/58/568992858.db2.gz FLBUPYPYIZOAKU-OUKQBFOZSA-N -1 0 422.510 4.011 50 30 HIEARM C[C@@H](NC(=O)CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[n-]1)c1ccccc1 ZINC000015859831 569015426 /nfs/dbraw/zinc/01/54/26/569015426.db2.gz YUTBSNGEKLSJCZ-CYBMUJFWSA-N -1 0 424.913 4.344 50 30 HIEARM O=C1C(=O)N(c2nccs2)[C@@H](c2cccs2)C1=C([O-])c1ccc(Cl)cc1 ZINC000104190786 569050376 /nfs/dbraw/zinc/05/03/76/569050376.db2.gz INEAPZUXKHWWCX-MRPLLJTBSA-N -1 0 402.884 4.484 50 30 HIEARM Cc1cccc2c1nc1[n-]c(NN=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)nnc2-1 ZINC000252608858 569297926 /nfs/dbraw/zinc/29/79/26/569297926.db2.gz HOHJYGFVYDQCDQ-UHFFFAOYSA-N -1 0 413.397 4.429 50 30 HIEARM COCc1cc(C)nc(N=NCc2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)c1C#N ZINC000252625727 569310281 /nfs/dbraw/zinc/31/02/81/569310281.db2.gz QQCAVQJSVOHHOY-UHFFFAOYSA-N -1 0 424.844 4.466 50 30 HIEARM Cc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(C#N)c(=O)[n-]1 ZINC000009042056 571214935 /nfs/dbraw/zinc/21/49/35/571214935.db2.gz KZJJUWDADXRTKZ-ZDUSSCGKSA-N -1 0 424.913 4.390 50 30 HIEARM Cc1c(Cl)cccc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)c(C#N)c(=O)[n-]1 ZINC000009042052 571214982 /nfs/dbraw/zinc/21/49/82/571214982.db2.gz GHAQMWDXMMDIPG-ZDUSSCGKSA-N -1 0 424.913 4.390 50 30 HIEARM COC(=O)c1ccc(COc2ccccc2C=NNc2ccc(C(=O)[O-])cc2)cc1 ZINC000254301409 854210225 /nfs/dbraw/zinc/21/02/25/854210225.db2.gz KFSCCIUNOGAANS-UHFFFAOYSA-N -1 0 404.422 4.196 50 30 HIEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000102698588 520430572 /nfs/dbraw/zinc/43/05/72/520430572.db2.gz AORZISBGWMBMDH-NHFXJNLRSA-N -1 0 422.437 4.300 50 30 HIEARM Cc1csc(C(C#N)=C([O-])COC(=O)C=Cc2ccc(-c3ccccc3F)o2)n1 ZINC000007780411 526401031 /nfs/dbraw/zinc/40/10/31/526401031.db2.gz UKQIYSXJINQZDP-DYLHUKMJSA-N -1 0 410.426 4.284 50 30 HIEARM CCOc1cc(Br)cc(C=Nn2c(=S)[n-]nc2-c2ccccc2)c1O ZINC000000805799 557086511 /nfs/dbraw/zinc/08/65/11/557086511.db2.gz ZOLKKVSJCDVDFH-VXLYETTFSA-N -1 0 419.304 4.357 50 30 HIEARM O=[N+]([O-])c1cccc(C=Nn2c(=S)[n-]nc2-c2ccccc2Br)c1 ZINC000006059940 557685619 /nfs/dbraw/zinc/68/56/19/557685619.db2.gz QRXNJFPODHRXHP-RQZCQDPDSA-N -1 0 404.249 4.161 50 30 HIEARM COc1cc(-c2n[n-]c(=S)n2N=Cc2c(F)cccc2Cl)cc(OC)c1OC ZINC000009109265 557823914 /nfs/dbraw/zinc/82/39/14/557823914.db2.gz RSIGBEFKPVEGFR-ZVBGSRNCSA-N -1 0 422.869 4.308 50 30 HIEARM COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2[O-])cc1CN1CCOCC1 ZINC000019948468 558314725 /nfs/dbraw/zinc/31/47/25/558314725.db2.gz KKISZWGPVDCBRF-UXBLZVDNSA-N -1 0 403.478 4.282 50 30 HIEARM O=C1c2ccccc2C(=O)C1=C([O-])C=Cc1ccc(I)cc1 ZINC000013304703 558529654 /nfs/dbraw/zinc/52/96/54/558529654.db2.gz XBSKSNSLHMLAJW-JXMROGBWSA-N -1 0 402.187 4.039 50 30 HIEARM COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccc(C)cc4)c3=O)n2)cc1 ZINC000013942553 558604983 /nfs/dbraw/zinc/60/49/83/558604983.db2.gz CMLIKBYTNLVJKO-CLCOLTQESA-N -1 0 405.483 4.318 50 30 HIEARM COc1ccc(-c2nc(SCC#Cc3ccc(Cl)cc3)[n-]c(=O)c2C#N)cc1 ZINC000072314409 558845782 /nfs/dbraw/zinc/84/57/82/558845782.db2.gz GBYGRCZQTBGGPW-UHFFFAOYSA-N -1 0 407.882 4.114 50 30 HIEARM O=C(Nc1ccc(/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])cc1)c1ccccc1 ZINC000004603557 558847187 /nfs/dbraw/zinc/84/71/87/558847187.db2.gz OSNPMXKBJUXWHT-CIAFOILYSA-N -1 0 406.354 4.212 50 30 HIEARM CCOc1c(Cl)cc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1OC ZINC000058394099 558923872 /nfs/dbraw/zinc/92/38/72/558923872.db2.gz UMCYWIHOLSQUDZ-UHFFFAOYSA-N -1 0 404.271 4.094 50 30 HIEARM O=C(C=CNc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(Cl)cc1 ZINC000104203326 559159021 /nfs/dbraw/zinc/15/90/21/559159021.db2.gz YFJVWMHUPRGIQU-KTKRTIGZSA-N -1 0 419.915 4.406 50 30 HIEARM CC(C)c1ccccc1NC(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[n-]1 ZINC000005238227 560548599 /nfs/dbraw/zinc/54/85/99/560548599.db2.gz ZIUZRRYCOMBTNQ-UHFFFAOYSA-N -1 0 404.495 4.163 50 30 HIEARM CCCCc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[n-]2)cc1 ZINC000005238232 560548692 /nfs/dbraw/zinc/54/86/92/560548692.db2.gz OLGQBISDNYUTME-UHFFFAOYSA-N -1 0 418.522 4.382 50 30 HIEARM CO/N=C1\C[C@@H](C)Cc2c1cc(-c1ccc(Br)cc1)n2CCC(=O)[O-] ZINC000005358952 560571399 /nfs/dbraw/zinc/57/13/99/560571399.db2.gz NQZDPOXJFOWULA-HFPIQRBFSA-N -1 0 405.292 4.325 50 30 HIEARM C=CCn1c(=O)c2ccc(C(=O)N[C@H](C)c3ccc(F)c(F)c3)cc2[n-]c1=S ZINC000018016464 560766681 /nfs/dbraw/zinc/76/66/81/560766681.db2.gz IBJKNDDKTCFNGK-LLVKDONJSA-N -1 0 401.438 4.014 50 30 HIEARM CC(C)c1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nncs2)cc1 ZINC000102401962 560810642 /nfs/dbraw/zinc/81/06/42/560810642.db2.gz YTDSKJXBGPEFGA-UYTDBDHRSA-N -1 0 411.508 4.349 50 30 HIEARM O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccc(F)cc2)C1=C([O-])c1ccc(Cl)cc1 ZINC000102646789 560818823 /nfs/dbraw/zinc/81/88/23/560818823.db2.gz WDALIJQOXKFOQV-NHFXJNLRSA-N -1 0 422.843 4.496 50 30 HIEARM Cc1noc([N-]S(=O)(=O)c2ccc(NC=CC(=O)c3ccc(C)cc3)cc2)c1C ZINC000102784444 560827462 /nfs/dbraw/zinc/82/74/62/560827462.db2.gz KLGTXKRPWFMKHB-OUKQBFOZSA-N -1 0 411.483 4.209 50 30 HIEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3ccco3)sc2c1 ZINC000000796045 568481305 /nfs/dbraw/zinc/48/13/05/568481305.db2.gz MRSKVEACKBYWBY-QGZVFWFLSA-N -1 0 422.418 4.274 50 30 HIEARM C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000003411083 568898051 /nfs/dbraw/zinc/89/80/51/568898051.db2.gz QKYPTAVXSDYBID-UHFFFAOYSA-N -1 0 418.824 4.075 50 30 HIEARM C=CCc1cc(/C=C2\NC(=O)[N-]C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000004600238 568963805 /nfs/dbraw/zinc/96/38/05/568963805.db2.gz NSQLFLQRBLPAOY-WQRHYEAKSA-N -1 0 412.873 4.227 50 30 HIEARM C#CCn1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c2ccccc21 ZINC000008744408 568983517 /nfs/dbraw/zinc/98/35/17/568983517.db2.gz ZFRLCWAMCAKZLP-VBKFSLOCSA-N -1 0 403.438 4.085 50 30 HIEARM C=CCn1c(Cc2csc(NC(=O)C34CC5CC(CC(C5)C3)C4)n2)n[nH]c1=S ZINC000012948131 569029228 /nfs/dbraw/zinc/02/92/28/569029228.db2.gz NICYPFICOYWUQV-UHFFFAOYSA-N -1 0 415.588 4.329 50 30 HIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2cccs2)no1 ZINC000006565265 569066215 /nfs/dbraw/zinc/06/62/15/569066215.db2.gz QZUOEUALSYUYLW-INIZCTEOSA-N -1 0 400.843 4.481 50 30 HIEARM O=C([O-])CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000006813762 569137280 /nfs/dbraw/zinc/13/72/80/569137280.db2.gz VWRLAAZJVZLCPW-HXUWFJFHSA-N -1 0 411.429 4.049 50 30 HIEARM Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])cc2)cc1 ZINC000006858594 569156503 /nfs/dbraw/zinc/15/65/03/569156503.db2.gz DRYNNGBUJCIXDG-OALUTQOASA-N -1 0 416.499 4.275 50 30 HIEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccco2)cc1 ZINC000017161516 569275972 /nfs/dbraw/zinc/27/59/72/569275972.db2.gz UBJLSMBQHXGAQQ-QGZVFWFLSA-N -1 0 410.451 4.144 50 30 HIEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccco2)cc1 ZINC000017161520 569275988 /nfs/dbraw/zinc/27/59/88/569275988.db2.gz UBJLSMBQHXGAQQ-KRWDZBQOSA-N -1 0 410.451 4.144 50 30 HIEARM CCN(CC)S(=O)(=O)c1ccc(N=Cc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000252462104 569286844 /nfs/dbraw/zinc/28/68/44/569286844.db2.gz PSQYBQAQFDGIAG-UHFFFAOYSA-N -1 0 401.315 4.480 50 30 HIEARM CCOC(=O)c1sc([N-]N=C2Sc3ccccc3C2=O)c(C(=O)OCC)c1C ZINC000252597203 569296562 /nfs/dbraw/zinc/29/65/62/569296562.db2.gz CPMUKVNZRFMQIX-UHFFFAOYSA-N -1 0 418.496 4.124 50 30 HIEARM CCOc1ccc(N=C2S/C(=C\c3ccc([O-])c([N+](=O)[O-])c3)C(=O)N2CC)cc1 ZINC000252621222 569307681 /nfs/dbraw/zinc/30/76/81/569307681.db2.gz MVMKYQJCWHMCJW-MORMLQEESA-N -1 0 413.455 4.323 50 30 HIEARM COc1ccc(/N=C/c2cc(Cl)cc(I)c2[O-])cc1OC ZINC000003153405 569322974 /nfs/dbraw/zinc/32/29/74/569322974.db2.gz QFKYBINTCNYOGL-QGMBQPNBSA-N -1 0 417.630 4.418 50 30 HIEARM C#CCOc1ccc(/C=C2\S/C(=N/c3cccc(C(=O)[O-])c3)N(CC)C2=O)cc1 ZINC000008654233 571098460 /nfs/dbraw/zinc/09/84/60/571098460.db2.gz BXJJMSWHVLIVPY-ZQRXGZGKSA-N -1 0 406.463 4.021 50 30 HIEARM COc1ccc(-c2nc(N3CCC[C@@H]3c3ccc(OC)cc3)[n-]c(=O)c2C#N)cc1 ZINC000040122666 571178438 /nfs/dbraw/zinc/17/84/38/571178438.db2.gz YHKUAMUBGLZWOR-HXUWFJFHSA-N -1 0 402.454 4.080 50 30 HIEARM C=CCN1c2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2OCC(C)(C)C1=O ZINC000009166794 571232921 /nfs/dbraw/zinc/23/29/21/571232921.db2.gz XTSQADWTXIXSHH-UHFFFAOYSA-N -1 0 420.918 4.078 50 30 HIEARM CSc1nnc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@@H]2c2ccccc2)s1 ZINC000009187341 571235132 /nfs/dbraw/zinc/23/51/32/571235132.db2.gz WHPLRZOLEVFCFE-ZDUSSCGKSA-N -1 0 415.521 4.104 50 30 HIEARM COc1cc(/C=C(\C(=O)C(=O)[O-])c2ccc3ccccc3n2)ccc1OCC(C)C ZINC000005560603 845124581 /nfs/dbraw/zinc/12/45/81/845124581.db2.gz ZKJOKMRLTRFVBL-PDGQHHTCSA-N -1 0 405.450 4.473 50 30 HIEARM COc1ccc(Br)cc1/C=C/C(=O)c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000013361775 845915049 /nfs/dbraw/zinc/91/50/49/845915049.db2.gz YJKNVGADFDILFT-LHXVZLOVSA-N -1 0 405.244 4.206 50 30 HIEARM COc1cc(-c2nc3ccccn3c2/N=C/c2cccc([N+](=O)[O-])c2[O-])ccc1O ZINC000038175512 521907439 /nfs/dbraw/zinc/90/74/39/521907439.db2.gz RDNIMCRFFFXAKI-WSDLNYQXSA-N -1 0 404.382 4.080 50 30 HIEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccccc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102798419 523791534 /nfs/dbraw/zinc/79/15/34/523791534.db2.gz FCEVACAWYJIEGD-GROYHEBESA-N -1 0 406.265 4.062 50 30 HIEARM O=C([O-])C(=O)/C(=C\c1ccc(Br)cc1F)c1ccc2ccccc2n1 ZINC000012608925 527549610 /nfs/dbraw/zinc/54/96/10/527549610.db2.gz VQRKNCQCIZECFP-ZROIWOOFSA-N -1 0 400.203 4.331 50 30 HIEARM COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(Br)cc2)cc1OC ZINC000001300271 557254357 /nfs/dbraw/zinc/25/43/57/557254357.db2.gz BWIWENKRFKSNQW-VXLYETTFSA-N -1 0 419.304 4.270 50 30 HIEARM O=C([O-])CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1F ZINC000013000421 558500233 /nfs/dbraw/zinc/50/02/33/558500233.db2.gz SUGZYQCNKLXHLV-FQEVSTJZSA-N -1 0 411.429 4.049 50 30 HIEARM CC(C)(C)OC(=O)/C(=N\[N-]c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1F ZINC000096511623 559111120 /nfs/dbraw/zinc/11/11/20/559111120.db2.gz JVMRQBMSCQGNET-CJLVFECKSA-N -1 0 412.870 4.020 50 30 HIEARM Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[n-]2)cc1Cl ZINC000005238235 560548664 /nfs/dbraw/zinc/54/86/64/560548664.db2.gz KUJIAHBSSHFOMP-UHFFFAOYSA-N -1 0 410.886 4.001 50 30 HIEARM C=CCOc1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000101294503 560791092 /nfs/dbraw/zinc/79/10/92/560791092.db2.gz CSHIGTSVHBUETE-WOOAAIBNSA-N -1 0 422.462 4.236 50 30 HIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccccc2F)no1 ZINC000102530122 560813194 /nfs/dbraw/zinc/81/31/94/560813194.db2.gz CYPXKHXWWYJNDO-SELCWUDQSA-N -1 0 412.804 4.402 50 30 HIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@H]2c2cccc(Cl)c2)no1 ZINC000102702355 560820345 /nfs/dbraw/zinc/82/03/45/560820345.db2.gz ZJLBPLBXQIQIKF-SELCWUDQSA-N -1 0 412.804 4.402 50 30 HIEARM O=C1C(=O)N(c2ncccn2)[C@@H](c2ccc(Cl)c(Cl)c2)C1=C([O-])c1ccco1 ZINC000102732792 560822627 /nfs/dbraw/zinc/82/26/27/560822627.db2.gz PQUDGBSFMNKUHN-IDTYTIONSA-N -1 0 416.220 4.003 50 30 HIEARM COc1cccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000102804081 560826792 /nfs/dbraw/zinc/82/67/92/560826792.db2.gz SVUHAWIMHZKKPA-LFVOPCPISA-N -1 0 424.840 4.271 50 30 HIEARM O=C([O-])c1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2F)c1 ZINC000102878026 560833324 /nfs/dbraw/zinc/83/33/24/560833324.db2.gz UBTNXCWBQRHOMO-NHFXJNLRSA-N -1 0 417.392 4.150 50 30 HIEARM C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(OCC(=O)[O-])cc3)c12 ZINC000008231544 568495114 /nfs/dbraw/zinc/49/51/14/568495114.db2.gz VRRCWKZWOMIZRA-JLHYYAGUSA-N -1 0 415.449 4.143 50 30 HIEARM O=C1C(=O)N(c2nncs2)[C@@H](c2ccccc2Cl)C1=C([O-])c1ccc(F)cc1 ZINC000000934465 568751630 /nfs/dbraw/zinc/75/16/30/568751630.db2.gz JHLICAGJXXRYAK-HNNXBMFYSA-N -1 0 415.833 4.114 50 30 HIEARM CCCCCCCCNC(=O)c1cc(C(=O)c2cc(Cl)ccc2[O-])coc1=N ZINC000003286036 568872454 /nfs/dbraw/zinc/87/24/54/568872454.db2.gz DZZMNFPSWSSIJP-UHFFFAOYSA-N -1 0 404.894 4.439 50 30 HIEARM C=C(C)COc1ccc([C@H](CC(=O)OC)c2c([O-])c3ccccc3oc2=O)cc1OC ZINC000218082183 568925440 /nfs/dbraw/zinc/92/54/40/568925440.db2.gz VDAPFKKGJHQCGA-KRWDZBQOSA-N -1 0 424.449 4.157 50 30 HIEARM N#Cc1c(=O)[n-]c(SCCC(=O)Nc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000031773902 568930975 /nfs/dbraw/zinc/93/09/75/568930975.db2.gz MIUSIAPXGFWVDB-UHFFFAOYSA-N -1 0 410.886 4.083 50 30 HIEARM C=CCn1c(C)c(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c2ccccc21 ZINC000012363843 568994734 /nfs/dbraw/zinc/99/47/34/568994734.db2.gz HDVNVOOZSGEFON-LGMDPLHJSA-N -1 0 419.481 4.106 50 30 HIEARM C=CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000006412900 569046827 /nfs/dbraw/zinc/04/68/27/569046827.db2.gz BAYWHAMXOQLZIJ-OAQYLSRUSA-N -1 0 416.433 4.331 50 30 HIEARM C[C@@H](C(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)N(C)Cc1ccccc1 ZINC000089518724 569062650 /nfs/dbraw/zinc/06/26/50/569062650.db2.gz LAQHTQDSSLYXKO-LBPRGKRZSA-N -1 0 401.315 4.159 50 30 HIEARM CCn1c(C)csc1=NN=Cc1cc(Br)c([O-])c(Br)c1 ZINC000252515960 569292156 /nfs/dbraw/zinc/29/21/56/569292156.db2.gz OXXWZMCCOROWRU-UHFFFAOYSA-N -1 0 419.142 4.043 50 30 HIEARM COc1ccc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1Cl ZINC000002238849 569322509 /nfs/dbraw/zinc/32/25/09/569322509.db2.gz BSIHSTWCDVUSGZ-PMDYYOJLSA-N -1 0 402.859 4.281 50 30 HIEARM CCCCCn1c([N-]S(=O)(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc21 ZINC000002284854 569364459 /nfs/dbraw/zinc/36/44/59/569364459.db2.gz MHOGNJFBVHNEBB-UHFFFAOYSA-N -1 0 419.510 4.447 50 30 HIEARM C/C(=N\OCC(=O)N(Cc1ccccc1)c1ccccc1C(=O)[O-])c1cccs1 ZINC000013306813 518471045 /nfs/dbraw/zinc/47/10/45/518471045.db2.gz OWCXDWJGPLJSSE-XQNSMLJCSA-N -1 0 408.479 4.420 50 30 HIEARM COc1ccc(-n2cc(C(=O)[O-])c3c2[C@@H](c2ccc(C#N)cc2)CC(=O)N3)c(OC)c1 ZINC000044922180 523327494 /nfs/dbraw/zinc/32/74/94/523327494.db2.gz QOECWULOVNCQGL-MRXNPFEDSA-N -1 0 417.421 4.188 50 30 HIEARM Cc1cc(/C=N/CCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)c([O-])c([N+](=O)[O-])c1 ZINC000019849882 526093153 /nfs/dbraw/zinc/09/31/53/526093153.db2.gz HCTGFCRRKPUYBR-ZVBGSRNCSA-N -1 0 412.324 4.067 50 30 HIEARM O=C(C=CNc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000006166253 557692485 /nfs/dbraw/zinc/69/24/85/557692485.db2.gz OWCIUBINRAVWJC-CCEZHUSRSA-N -1 0 423.450 4.204 50 30 HIEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nccs3)[C@@H]2c2cccc(F)c2)cc1C ZINC000008837785 557811775 /nfs/dbraw/zinc/81/17/75/557811775.db2.gz ZDBBAUJZNAPKQG-GOSISDBHSA-N -1 0 424.453 4.382 50 30 HIEARM CN(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2cccc(Br)c2)cc1 ZINC000009015856 557819712 /nfs/dbraw/zinc/81/97/12/557819712.db2.gz WUOUCMDJONDUSX-YBFXNURJSA-N -1 0 402.321 4.318 50 30 HIEARM O=C([O-])COc1ccccc1/C=C1/S/C(=N\c2cc(Cl)ccc2Cl)NC1=O ZINC000009323836 557837030 /nfs/dbraw/zinc/83/70/30/557837030.db2.gz ONFUZDNUTGFHON-VIZOYTHASA-N -1 0 423.277 4.348 50 30 HIEARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1c(C)cccc1[N+](=O)[O-] ZINC000013896609 558600605 /nfs/dbraw/zinc/60/06/05/558600605.db2.gz HTGSGOKMFAJWMG-NKFKGCMQSA-N -1 0 420.454 4.217 50 30 HIEARM O=C(/C(=C/c1cc([N+](=O)[O-])ccc1[O-])n1cncn1)c1ccc(Cl)cc1Cl ZINC000004524216 558652583 /nfs/dbraw/zinc/65/25/83/558652583.db2.gz DSEDOQXBZSDRSJ-UUASQNMZSA-N -1 0 405.197 4.080 50 30 HIEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nncs3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000017058648 558813487 /nfs/dbraw/zinc/81/34/87/558813487.db2.gz ICZSWLAYMTUNRM-MRXNPFEDSA-N -1 0 411.870 4.283 50 30 HIEARM O=C(C=CNc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(Cl)cc1 ZINC000017729226 558827782 /nfs/dbraw/zinc/82/77/82/558827782.db2.gz YFJVWMHUPRGIQU-MDZDMXLPSA-N -1 0 419.915 4.406 50 30 HIEARM COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccccc4OC)c3=O)n2)cc1 ZINC000100005463 559128428 /nfs/dbraw/zinc/12/84/28/559128428.db2.gz CABYKCDZLOYSLE-CLCOLTQESA-N -1 0 421.482 4.018 50 30 HIEARM Cc1ccc(C(=O)C=CNc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)cc1 ZINC000100769173 559265140 /nfs/dbraw/zinc/26/51/40/559265140.db2.gz CPCOKAFJUKNION-OUKQBFOZSA-N -1 0 422.510 4.011 50 30 HIEARM COc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000005445716 560588238 /nfs/dbraw/zinc/58/82/38/560588238.db2.gz DYCJAJLLXVAAST-KRWDZBQOSA-N -1 0 410.426 4.074 50 30 HIEARM CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1ccccc1OCC(=O)[O-])OCO3 ZINC000018197591 560782551 /nfs/dbraw/zinc/78/25/51/560782551.db2.gz LXLZQLHXXMXNAB-JOCHJYFZSA-N -1 0 421.449 4.079 50 30 HIEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000102698583 560820179 /nfs/dbraw/zinc/82/01/79/560820179.db2.gz AORZISBGWMBMDH-YDJIHCHBSA-N -1 0 422.437 4.300 50 30 HIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@H]2c2cccc(Cl)c2)no1 ZINC000102806122 560827285 /nfs/dbraw/zinc/82/72/85/560827285.db2.gz MVINXHQASGCIEC-IBOXJLQUSA-N -1 0 400.843 4.324 50 30 HIEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nccs3)[C@H]2c2ccc(F)cc2)cc1 ZINC000102798988 560828182 /nfs/dbraw/zinc/82/81/82/560828182.db2.gz VJQWJYGJIVJGNI-GHNGSUTGSA-N -1 0 424.453 4.307 50 30 HIEARM O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CC[C@H](C(F)(F)F)[N-]C1=O ZINC000103167366 560839740 /nfs/dbraw/zinc/83/97/40/560839740.db2.gz AYXHHTXSFZZGFF-NXEZZACHSA-N -1 0 422.247 4.120 50 30 HIEARM O=C([O-])CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1Cl ZINC000020130042 568589674 /nfs/dbraw/zinc/58/96/74/568589674.db2.gz MMECPSKSAARMQF-QGZVFWFLSA-N -1 0 420.248 4.046 50 30 HIEARM N#Cc1cc(C(=O)c2cc(Cl)ccc2[O-])cn(-c2cccc(C(F)(F)F)c2)c1=O ZINC000003251976 568867879 /nfs/dbraw/zinc/86/78/79/568867879.db2.gz YBQSKSGINFPGMO-UHFFFAOYSA-N -1 0 418.758 4.318 50 30 HIEARM C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2[n-]c1=S ZINC000012607400 568871351 /nfs/dbraw/zinc/87/13/51/568871351.db2.gz FMVJIZYQVRAAJL-UHFFFAOYSA-N -1 0 421.400 4.396 50 30 HIEARM C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(N(CC)CC)cc3)cc2[n-]c1=S ZINC000012607392 568871376 /nfs/dbraw/zinc/87/13/76/568871376.db2.gz GHTYHKSBORMBII-UHFFFAOYSA-N -1 0 408.527 4.344 50 30 HIEARM N#Cc1c(CSc2nc([O-])cc(=O)n2-c2ccc(Cl)cc2)cn2ccccc12 ZINC000058245605 568905134 /nfs/dbraw/zinc/90/51/34/568905134.db2.gz ARVUUUQWTLULHW-UHFFFAOYSA-N -1 0 408.870 4.008 50 30 HIEARM N#Cc1ccc([C@H]2[C@@H](C(=O)[O-])c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000006779230 569119340 /nfs/dbraw/zinc/11/93/40/569119340.db2.gz DZSOFHXYLXCSGX-VXKWHMMOSA-N -1 0 400.409 4.263 50 30 HIEARM Cc1c(N=Cc2cc(Cl)cc(Br)c2[O-])c(=O)n(-c2ccccc2)n1C ZINC000252427033 569285185 /nfs/dbraw/zinc/28/51/85/569285185.db2.gz SGZIANIYEXUZCX-UHFFFAOYSA-N -1 0 420.694 4.357 50 30 HIEARM N#Cc1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000000622065 569383858 /nfs/dbraw/zinc/38/38/58/569383858.db2.gz JOPKKUTWCGYCDA-HSZRJFAPSA-N -1 0 412.445 4.093 50 30 HIEARM COc1cccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Cl)cc2)c1 ZINC000008740978 571110637 /nfs/dbraw/zinc/11/06/37/571110637.db2.gz WLGNFZJXEKDATL-IBGZPJMESA-N -1 0 424.840 4.428 50 30 HIEARM O=C(C=Cc1cc(Cl)c2c(c1)OCCO2)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000097127686 852584667 /nfs/dbraw/zinc/58/46/67/852584667.db2.gz CPDUQLYZCYUVDF-VEQVDCDKSA-N -1 0 405.859 4.082 50 30 HIEARM COc1ccc(Cn2nc(C)c(/C=C3/C[C@@H](C(=O)[O-])c4ccccc4C3=O)c2C)cc1 ZINC000328593144 855422905 /nfs/dbraw/zinc/42/29/05/855422905.db2.gz ISEKNJGFXRDUCB-KELOHDTKSA-N -1 0 416.477 4.395 50 30 HIEARM COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2[O-])c(CN2CCOCC2)c1 ZINC000020602034 523403478 /nfs/dbraw/zinc/40/34/78/523403478.db2.gz BZSCSENQSAIHQF-DHZHZOJOSA-N -1 0 403.478 4.282 50 30 HIEARM O=c1c(N=Nc2cccc(Cl)c2)c(-c2ccccc2)[n-]n1-c1ccc([N+](=O)[O-])cc1 ZINC000008398132 526949181 /nfs/dbraw/zinc/94/91/81/526949181.db2.gz LBJWXPKAHPPWJP-GFMRDNFCSA-N -1 0 419.828 4.467 50 30 HIEARM O=C1C(=O)N(C[C@H]2CCCO2)[C@@H](c2ccc(F)cc2)C1=C([O-])c1ccc(Cl)cc1 ZINC000102648712 526954182 /nfs/dbraw/zinc/95/41/82/526954182.db2.gz DBXWDZBVCBCMOW-BCTIHFFESA-N -1 0 415.848 4.080 50 30 HIEARM CN(C)c1ccc(-c2n[n-]c(=S)n2N=Cc2cc(Br)ccc2O)cc1 ZINC000001479076 557270064 /nfs/dbraw/zinc/27/00/64/557270064.db2.gz RZTMCUZEFDYVQG-VXLYETTFSA-N -1 0 418.320 4.024 50 30 HIEARM CCOc1ccc(N=Nc2c(C)[n-]n(-c3nc(-c4ccccc4)cs3)c2=O)cc1 ZINC000004610965 557571901 /nfs/dbraw/zinc/57/19/01/557571901.db2.gz WALDGNUIZRWTJV-CLCOLTQESA-N -1 0 405.483 4.399 50 30 HIEARM Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OCC(=O)[O-])c(Cl)c3)S2)cc1C ZINC000004704680 557584764 /nfs/dbraw/zinc/58/47/64/557584764.db2.gz DAZDDTYBSUWSBA-RQZCQDPDSA-N -1 0 416.886 4.312 50 30 HIEARM CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)[O-])ccc1N[C@@H]2c1ccc2c(c1)OCO2 ZINC000005190820 557639406 /nfs/dbraw/zinc/63/94/06/557639406.db2.gz NCXQUDXFPZQCHH-OAQYLSRUSA-N -1 0 406.438 4.335 50 30 HIEARM COc1cc(-c2n[n-]c(=S)n2N=Cc2ccc(Cl)cc2)cc(OC)c1OC ZINC000006004590 557683923 /nfs/dbraw/zinc/68/39/23/557683923.db2.gz KGSHZKQPXPJRJY-KEBDBYFISA-N -1 0 404.879 4.169 50 30 HIEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@@H]2c2ccccc2F)s1 ZINC000005800647 557796630 /nfs/dbraw/zinc/79/66/30/557796630.db2.gz JEQUSEKGDKYUOT-KRWDZBQOSA-N -1 0 409.442 4.077 50 30 HIEARM O=C([O-])c1cccc(-c2ccc(/C=N/n3cnc4sc5c(c4c3=O)CCCC5)o2)c1 ZINC000009357668 557839082 /nfs/dbraw/zinc/83/90/82/557839082.db2.gz GSXZUOGRZUOTKB-BHGWPJFGSA-N -1 0 419.462 4.177 50 30 HIEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2F)cc1 ZINC000009358271 557839379 /nfs/dbraw/zinc/83/93/79/557839379.db2.gz XHMNTGHSVPMOLT-FQEVSTJZSA-N -1 0 422.412 4.304 50 30 HIEARM Cc1ccc(/N=C2\S/C(=C\c3cn(CC(=O)[O-])c4ccccc34)C(=O)N2C)cc1 ZINC000013555386 558540178 /nfs/dbraw/zinc/54/01/78/558540178.db2.gz DZTHQZYGVNIXNP-ALUZUPNRSA-N -1 0 405.479 4.268 50 30 HIEARM Cc1noc([N-]S(=O)(=O)c2ccc(NC=CC(=O)c3ccc(C)cc3)cc2)c1C ZINC000013800829 558594558 /nfs/dbraw/zinc/59/45/58/558594558.db2.gz KLGTXKRPWFMKHB-SEYXRHQNSA-N -1 0 411.483 4.209 50 30 HIEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000013552800 558843407 /nfs/dbraw/zinc/84/34/07/558843407.db2.gz AWNYTZUTPAMTBC-FQEVSTJZSA-N -1 0 422.412 4.304 50 30 HIEARM CCc1nnc([N-]S(=O)(=O)c2ccc(/N=C/c3ccc(Cl)cc3)cc2)s1 ZINC000100004992 559128399 /nfs/dbraw/zinc/12/83/99/559128399.db2.gz GVKDFJGAANLQET-YBFXNURJSA-N -1 0 406.920 4.305 50 30 HIEARM COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccc(C)cc4O)c3=O)n2)cc1 ZINC000100544034 559136317 /nfs/dbraw/zinc/13/63/17/559136317.db2.gz LFIQHHLLKLZGJA-LYBHJNIJSA-N -1 0 421.482 4.023 50 30 HIEARM C=CCn1c(=O)c(C(=O)Nc2nc3ccc(Cl)cc3s2)c([O-])c2ccccc21 ZINC000100658502 559193978 /nfs/dbraw/zinc/19/39/78/559193978.db2.gz DIRNXDUZTVKWEI-UHFFFAOYSA-N -1 0 411.870 4.409 50 30 HIEARM CC(C)c1ccc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[n-]2)cc1 ZINC000005238238 560548689 /nfs/dbraw/zinc/54/86/89/560548689.db2.gz BMINSDULQHCERL-UHFFFAOYSA-N -1 0 404.495 4.163 50 30 HIEARM Cc1ccc(-c2nc(S[C@@H](C)C(=O)Nc3cc(C)ccc3C)[n-]c(=O)c2C#N)cc1 ZINC000005238325 560548787 /nfs/dbraw/zinc/54/87/87/560548787.db2.gz GIZQQLYKEVERBU-INIZCTEOSA-N -1 0 418.522 4.353 50 30 HIEARM Cc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccc(C)cc3)c(C#N)c(=O)[n-]2)cc1 ZINC000005238313 560548872 /nfs/dbraw/zinc/54/88/72/560548872.db2.gz PMNXMTHOHGARME-HNNXBMFYSA-N -1 0 404.495 4.045 50 30 HIEARM O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccccc2)C1=C([O-])c1ccc(Cl)cc1 ZINC000102642755 560819680 /nfs/dbraw/zinc/81/96/80/560819680.db2.gz QAEASNNQHJXWCO-YDJIHCHBSA-N -1 0 404.853 4.357 50 30 HIEARM CCCOc1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000102701548 560820299 /nfs/dbraw/zinc/82/02/99/560820299.db2.gz ZEFRKOZJBSGZTJ-LFVOPCPISA-N -1 0 424.478 4.460 50 30 HIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3cc4ccccc4o3)[C@H]2c2cccs2)no1 ZINC000102803612 560826671 /nfs/dbraw/zinc/82/66/71/560826671.db2.gz QRUYNOVNMZSYRZ-SELCWUDQSA-N -1 0 406.419 4.417 50 30 HIEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nccs3)[C@@H]2c2cccc(F)c2)cc1C ZINC000102875775 560830643 /nfs/dbraw/zinc/83/06/43/560830643.db2.gz HNUXTQFQOQRQLY-SELCWUDQSA-N -1 0 424.453 4.226 50 30 HIEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2F)cc1C ZINC000102862926 560832305 /nfs/dbraw/zinc/83/23/05/560832305.db2.gz FBAVNIMYEHAUCI-NHFXJNLRSA-N -1 0 422.412 4.065 50 30 HIEARM CC(C)c1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nncs2)cc1 ZINC000104189200 560849362 /nfs/dbraw/zinc/84/93/62/560849362.db2.gz LXUQGBJYDBENDX-GHNGSUTGSA-N -1 0 423.469 4.427 50 30 HIEARM C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000003257495 568458144 /nfs/dbraw/zinc/45/81/44/568458144.db2.gz COOBROPSWFWZKI-UHFFFAOYSA-N -1 0 419.808 4.438 50 30 HIEARM C=CCOc1ccccc1[C@@H]1CC(=O)Nc2nc(SCc3ccccc3)[nH]c(=O)c21 ZINC000086056907 568753858 /nfs/dbraw/zinc/75/38/58/568753858.db2.gz NKCNSIUYHDOVCW-KRWDZBQOSA-N -1 0 419.506 4.101 50 30 HIEARM C[C@H](Sc1nc(-c2ccccc2)c(C#N)c(=O)[n-]1)C(=O)Nc1cccc(Cl)c1 ZINC000002746344 568806018 /nfs/dbraw/zinc/80/60/18/568806018.db2.gz LYTDHDMJHPOFBS-LBPRGKRZSA-N -1 0 410.886 4.081 50 30 HIEARM N#CC(=C([O-])c1ccc(=O)oc1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000003334969 568882620 /nfs/dbraw/zinc/88/26/20/568882620.db2.gz ZXOWUNFZWAYKRA-CYBMUJFWSA-N -1 0 401.241 4.016 50 30 HIEARM COc1ccc(Br)cc1C=Nn1c(=S)[n-]nc1-c1ccccc1OC ZINC000016971839 569005084 /nfs/dbraw/zinc/00/50/84/569005084.db2.gz UPUYRIIGRQKTGC-VXLYETTFSA-N -1 0 419.304 4.270 50 30 HIEARM Cc1[n-]n(-c2ncc(-c3ccccc3O)s2)c(=O)c1N=Nc1cc(C)ccc1C ZINC000004550807 569255363 /nfs/dbraw/zinc/25/53/63/569255363.db2.gz YMNAJCNGMXBZED-CLCOLTQESA-N -1 0 405.483 4.323 50 30 HIEARM O=C([O-])c1ccc(/C=C2/S/C(=N\c3ccc(Br)cc3)NC2=O)cc1 ZINC000016906116 569267028 /nfs/dbraw/zinc/26/70/28/569267028.db2.gz AIHWLYQVMPLATD-NTEUORMPSA-N -1 0 403.257 4.039 50 30 HIEARM COC(=O)c1ccc(N=Cc2cc(Cl)cc(I)c2[O-])cc1 ZINC000252594879 569296278 /nfs/dbraw/zinc/29/62/78/569296278.db2.gz BWQYQAHKUILPDE-UHFFFAOYSA-N -1 0 415.614 4.187 50 30 HIEARM C=CCOc1ccc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1OC ZINC000002236591 569321935 /nfs/dbraw/zinc/32/19/35/569321935.db2.gz JYEKZAHDGZALEZ-ZQRXGZGKSA-N -1 0 424.478 4.192 50 30 HIEARM COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000002438624 569400044 /nfs/dbraw/zinc/40/00/44/569400044.db2.gz KEYHDCISXSVHEP-UHFFFAOYSA-N -1 0 414.413 4.435 50 30 HIEARM CCCOc1ccc(-c2nc(SCc3ccccc3)[n-]c(=O)c2C#N)cc1OC ZINC000013111429 569409173 /nfs/dbraw/zinc/40/91/73/569409173.db2.gz UYDFQOGOFNVYDE-UHFFFAOYSA-N -1 0 407.495 4.398 50 30 HIEARM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1ccc(C)c(OC)c1 ZINC000328594468 569415750 /nfs/dbraw/zinc/41/57/50/569415750.db2.gz MIIPKIVYHJNKIC-HXUWFJFHSA-N -1 0 407.514 4.431 50 30 HIEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000008827569 571122522 /nfs/dbraw/zinc/12/25/22/571122522.db2.gz UDCQHKSPVXWESK-FQEVSTJZSA-N -1 0 422.437 4.456 50 30 HIEARM COc1ccc(/N=C2\NC(=O)/C(=C/c3cccn3-c3cccc(C(=O)[O-])c3)S2)cc1 ZINC000008916881 571152308 /nfs/dbraw/zinc/15/23/08/571152308.db2.gz FQAIEDXSEVPUTC-UYRXBGFRSA-N -1 0 419.462 4.076 50 30 HIEARM Cc1csc(C(C#N)=C([O-])COC(=O)C=Cc2ccc(-c3ccccc3F)o2)n1 ZINC000096876639 852557231 /nfs/dbraw/zinc/55/72/31/852557231.db2.gz UKQIYSXJINQZDP-GQSKFBFOSA-N -1 0 410.426 4.284 50 30 HIEARM Cc1csc(C(C#N)=C([O-])COC(=O)C=Cc2ccc(-c3ccccc3F)o2)n1 ZINC000096876640 852557342 /nfs/dbraw/zinc/55/73/42/852557342.db2.gz UKQIYSXJINQZDP-DZFYGRHCSA-N -1 0 410.426 4.284 50 30 HIEARM CCOC(=O)c1ccc(-c2ccc(/C=C\C(=O)c3ccc(OCC(=O)[O-])cc3)o2)cc1 ZINC000097993464 852648096 /nfs/dbraw/zinc/64/80/96/852648096.db2.gz PRTZUMRLYDQPEQ-QBFSEMIESA-N -1 0 420.417 4.483 50 30 HIEARM Cc1ccccc1-n1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c(-c2ccccc2)n1 ZINC000102500549 852664866 /nfs/dbraw/zinc/66/48/66/852664866.db2.gz CXWYBTCPRCXKBD-OTOIZHKDSA-N -1 0 412.445 4.076 50 30 HIEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc(-c3cccc(Br)c3)s2)C(=O)O1 ZINC000104468020 852669934 /nfs/dbraw/zinc/66/99/34/852669934.db2.gz DIVNLISLGNQJOO-YEODSOHDSA-N -1 0 417.280 4.406 50 30 HIEARM CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@H]2c1cc([N+](=O)[O-])ccc1[O-] ZINC000032523694 520257935 /nfs/dbraw/zinc/25/79/35/520257935.db2.gz JTUUCCVYIDSCRW-FPOVZHCZSA-N -1 0 416.433 4.343 50 30 HIEARM CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(O)c(C(=O)[O-])c3)c2C)c1 ZINC000012363881 521535794 /nfs/dbraw/zinc/53/57/94/521535794.db2.gz MXKWONYLUDTNRL-ZMOGYAJESA-N -1 0 406.438 4.425 50 30 HIEARM COc1ccc(/N=C2/N=C([O-])S/C2=C\c2cc3ccc(OC)cc3n(C)c2=O)cc1 ZINC000072401486 523466628 /nfs/dbraw/zinc/46/66/28/523466628.db2.gz MVURYBRCOIBWBP-ODLFYWEKSA-N -1 0 421.478 4.288 50 30 HIEARM COc1ccc(N=Nc2c(CSc3ccccn3)[n-]n(-c3ccccc3)c2=O)cc1 ZINC000026966909 524380386 /nfs/dbraw/zinc/38/03/86/524380386.db2.gz RLRSATSTFYDDRT-DAFNUICNSA-N -1 0 417.494 4.053 50 30 HIEARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cccc(C#N)c2)cc1C ZINC000032929425 525614550 /nfs/dbraw/zinc/61/45/50/525614550.db2.gz KCECLLVIZZSABT-UHFFFAOYSA-N -1 0 405.479 4.228 50 30 HIEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2F)cc1 ZINC000009358274 557839256 /nfs/dbraw/zinc/83/92/56/557839256.db2.gz XHMNTGHSVPMOLT-HXUWFJFHSA-N -1 0 422.412 4.304 50 30 HIEARM CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCC(=O)[O-])cc1 ZINC000019788948 558282007 /nfs/dbraw/zinc/28/20/07/558282007.db2.gz NWNVATKGRBJVCN-NRFANRHFSA-N -1 0 407.466 4.253 50 30 HIEARM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1N=Nc1nccs1 ZINC000013576816 558543576 /nfs/dbraw/zinc/54/35/76/558543576.db2.gz HVVPWSDOQIRWTH-MOSHPQCFSA-N -1 0 402.892 4.111 50 30 HIEARM CCCCCCCCOC(=O)C[C@H](C(=O)OCCCCCCCC)S(=O)(=O)[O-] ZINC000059237144 558932493 /nfs/dbraw/zinc/93/24/93/558932493.db2.gz OXLXSOPFNVKUMU-GOSISDBHSA-N -1 0 422.584 4.440 50 30 HIEARM O=c1c(N=Nc2cccc(C(F)(F)F)c2)c(C(F)(F)F)[n-]n1-c1ccccc1 ZINC000100355111 559134354 /nfs/dbraw/zinc/13/43/54/559134354.db2.gz ZOCNVIKLRSHGLH-DHRITJCHSA-N -1 0 400.282 4.438 50 30 HIEARM COc1ccc(/C=C2\S/C(=N/c3cccc(C(=O)[O-])c3)N(C)C2=O)cc1Cl ZINC000100318601 559194178 /nfs/dbraw/zinc/19/41/78/559194178.db2.gz RTVUDSGDJDROQO-VIYXUHAESA-N -1 0 402.859 4.281 50 30 HIEARM Cc1cccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)c(C#N)c(=O)[n-]2)c1C ZINC000005238241 560548367 /nfs/dbraw/zinc/54/83/67/560548367.db2.gz JXAKWVJAIKVLEF-HNNXBMFYSA-N -1 0 404.495 4.045 50 30 HIEARM CCc1cccc(CC)c1NC(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[n-]1 ZINC000005238225 560548686 /nfs/dbraw/zinc/54/86/86/560548686.db2.gz MRFRIGFVLBZRCS-UHFFFAOYSA-N -1 0 418.522 4.164 50 30 HIEARM Cc1ccc(-c2nc(S[C@H](C)C(=O)Nc3ccc(C)cc3C)[n-]c(=O)c2C#N)cc1 ZINC000005238324 560548774 /nfs/dbraw/zinc/54/87/74/560548774.db2.gz XXUSBFSNIUNWRF-MRXNPFEDSA-N -1 0 418.522 4.353 50 30 HIEARM Cc1ccc(/N=C2/S/C(=C/C(=O)[O-])C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000101379783 560793788 /nfs/dbraw/zinc/79/37/88/560793788.db2.gz WZGRUQNDQDZEMY-DBPHPPTCSA-N -1 0 405.479 4.250 50 30 HIEARM Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(O)cc2)sc1C ZINC000102882641 560833972 /nfs/dbraw/zinc/83/39/72/560833972.db2.gz JKLBLRYMZKAIPK-UYTDBDHRSA-N -1 0 412.492 4.153 50 30 HIEARM COc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1C(=O)[O-] ZINC000000816959 568495539 /nfs/dbraw/zinc/49/55/39/568495539.db2.gz FNNYBYQFSFXPLD-UHFFFAOYSA-N -1 0 423.509 4.367 50 30 HIEARM CC1(C)Cc2ccccc2C(C(=N[O-])C(=O)Nc2ccc(Br)cc2)=N1 ZINC000252624125 569051359 /nfs/dbraw/zinc/05/13/59/569051359.db2.gz PGWBFYOEFXENIZ-UHFFFAOYSA-N -1 0 400.276 4.042 50 30 HIEARM Cc1csc(C(C#N)=C([O-])COC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1 ZINC000006605991 569071172 /nfs/dbraw/zinc/07/11/72/569071172.db2.gz KLOJDLOOWVEBPK-MRXNPFEDSA-N -1 0 402.903 4.336 50 30 HIEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc3c(s2)-c2ccccc2OC3)n1 ZINC000006606107 569071249 /nfs/dbraw/zinc/07/12/49/569071249.db2.gz MMPBPQAQRLFWFE-AWEZNQCLSA-N -1 0 410.476 4.106 50 30 HIEARM O=c1c(N=Nc2cccc(Cl)c2)c(-c2ccccc2)[n-]n1-c1ccc([N+](=O)[O-])cc1 ZINC000252461164 569286673 /nfs/dbraw/zinc/28/66/73/569286673.db2.gz LBJWXPKAHPPWJP-UHFFFAOYSA-N -1 0 419.828 4.467 50 30 HIEARM N#Cc1cccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])c1 ZINC000000622058 569383845 /nfs/dbraw/zinc/38/38/45/569383845.db2.gz CVLOUTPKZUJTGV-QHCPKHFHSA-N -1 0 412.445 4.093 50 30 HIEARM [O-]c1c(Br)cc(Br)cc1/C=N/c1ccc2c(c1)OCCO2 ZINC000013120603 569409577 /nfs/dbraw/zinc/40/95/77/569409577.db2.gz FDHJGVYETSGIRG-QGMBQPNBSA-N -1 0 413.065 4.439 50 30 HIEARM Cc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)c(C#N)c(=O)[n-]2)cc1Cl ZINC000009042057 571214960 /nfs/dbraw/zinc/21/49/60/571214960.db2.gz POGGKCNJQGHJHG-CYBMUJFWSA-N -1 0 424.913 4.390 50 30 HIEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc(-c3ccco3)nc3ccccc32)n1 ZINC000009244725 571241221 /nfs/dbraw/zinc/24/12/21/571241221.db2.gz HAXBZYPDPNNMMR-MRXNPFEDSA-N -1 0 417.446 4.293 50 30 HIEARM C[C@H](Oc1ccc(C(=O)/C=C/c2cc(Cl)c3c(c2)OCCCO3)cc1)C(=O)[O-] ZINC000012852407 845895458 /nfs/dbraw/zinc/89/54/58/845895458.db2.gz YOKJHMVEKRWYGV-UTPRNQHHSA-N -1 0 402.830 4.249 50 30 HIEARM O=C([O-])C(=O)/C(=C\c1cnn(Cc2ccccc2Cl)c1)c1ccc2ccccc2n1 ZINC000096930278 852558914 /nfs/dbraw/zinc/55/89/14/852558914.db2.gz QYZSLBJOLYHOIK-WQRHYEAKSA-N -1 0 417.852 4.327 50 30 HIEARM CCc1ccc(CN=Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000254878107 854215955 /nfs/dbraw/zinc/21/59/55/854215955.db2.gz XGTCPAWZNQFTQX-UHFFFAOYSA-N -1 0 424.482 4.404 50 30 HIEARM C=CCCOc1cccc(-c2nnc(CCC(=O)N[C@H](C)c3ccccc3)c(=O)[n-]2)c1 ZINC000034765852 518710379 /nfs/dbraw/zinc/71/03/79/518710379.db2.gz HAISBZXFILKZDF-QGZVFWFLSA-N -1 0 418.497 4.009 50 30 HIEARM CCCCCCCCOC(=O)C[C@@H](C(=O)OCCCCCCCC)S(=O)(=O)[O-] ZINC000059237143 520039284 /nfs/dbraw/zinc/03/92/84/520039284.db2.gz OXLXSOPFNVKUMU-SFHVURJKSA-N -1 0 422.584 4.440 50 30 HIEARM CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)CCC(=O)[O-])[C@@H]2c1ccco1 ZINC000021722502 520260865 /nfs/dbraw/zinc/26/08/65/520260865.db2.gz JLKDQPCQSLSDJE-JOCHJYFZSA-N -1 0 408.454 4.287 50 30 HIEARM COc1cc(-c2n[n-]c(=S)n2N=Cc2ccccc2Cl)cc(OC)c1OC ZINC000006004638 557683895 /nfs/dbraw/zinc/68/38/95/557683895.db2.gz FQZMDTNKFNUQPY-KEBDBYFISA-N -1 0 404.879 4.169 50 30 HIEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@@H]2c2cccc3ccccc32)s1 ZINC000009085998 557821871 /nfs/dbraw/zinc/82/18/71/557821871.db2.gz HZVHCVRUAVFONP-SFHVURJKSA-N -1 0 417.446 4.376 50 30 HIEARM Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCC(=O)[O-])[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000019923068 558307382 /nfs/dbraw/zinc/30/73/82/558307382.db2.gz FWCDBZHIJXTCSQ-LJQANCHMSA-N -1 0 413.857 4.092 50 30 HIEARM COc1ccc(OC)c(N=Nc2c(C)[n-]n(-c3nc(-c4ccccc4)cs3)c2=O)c1 ZINC000012412917 558401423 /nfs/dbraw/zinc/40/14/23/558401423.db2.gz WRSIILFFHXFDDA-CLCOLTQESA-N -1 0 421.482 4.018 50 30 HIEARM Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1ccc(C)cc1 ZINC000013897959 558600705 /nfs/dbraw/zinc/60/07/05/558600705.db2.gz DRFMQIKIVKXKDK-PTGBLXJZSA-N -1 0 420.454 4.217 50 30 HIEARM C[C@H]([N-]C(=O)[C@@](F)(N(C(F)(F)F)C(F)(F)F)C(F)(F)F)c1ccccc1 ZINC000100556840 559136498 /nfs/dbraw/zinc/13/64/98/559136498.db2.gz NZDSYEQKTLSCHK-OIBJUYFYSA-N -1 0 400.216 4.434 50 30 HIEARM Cc1ccc(-c2nc(SCC(=O)Nc3ccc(Cl)cc3)[n-]c(=O)c2C#N)cc1 ZINC000005238299 560548804 /nfs/dbraw/zinc/54/88/04/560548804.db2.gz LAQFQJVEHIAWDM-UHFFFAOYSA-N -1 0 410.886 4.001 50 30 HIEARM COCCCN1C(=O)C(=O)C(=C([O-])c2ccccc2)[C@H]1c1cccc2ccccc21 ZINC000102531642 560813410 /nfs/dbraw/zinc/81/34/10/560813410.db2.gz YMMNIHIMBNQSDA-HOGKFDNTSA-N -1 0 401.462 4.298 50 30 HIEARM Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000102696989 560820031 /nfs/dbraw/zinc/82/00/31/560820031.db2.gz XIWVEGHMHWMQCH-GHNGSUTGSA-N -1 0 405.841 4.065 50 30 HIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)no1 ZINC000102698599 560820135 /nfs/dbraw/zinc/82/01/35/560820135.db2.gz SURBEXHTPUBRBY-GHNGSUTGSA-N -1 0 412.804 4.402 50 30 HIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)no1 ZINC000102805549 560827093 /nfs/dbraw/zinc/82/70/93/560827093.db2.gz XJVTXRHRGVHJEU-SELCWUDQSA-N -1 0 412.804 4.402 50 30 HIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)no1 ZINC000102805553 560827106 /nfs/dbraw/zinc/82/71/06/560827106.db2.gz XJVTXRHRGVHJEU-GHNGSUTGSA-N -1 0 412.804 4.402 50 30 HIEARM Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(O)cc2)sc1C ZINC000102882257 560833991 /nfs/dbraw/zinc/83/39/91/560833991.db2.gz OBXQCCZEOBFNBV-SELCWUDQSA-N -1 0 406.463 4.092 50 30 HIEARM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1ccc(OCC(F)(F)F)nc1 ZINC000103483187 560842358 /nfs/dbraw/zinc/84/23/58/560842358.db2.gz CZQDLSJXNHIPSS-AWEZNQCLSA-N -1 0 401.344 4.018 50 30 HIEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000002501854 568777094 /nfs/dbraw/zinc/77/70/94/568777094.db2.gz ZCGXZYCPFPUJEQ-INIZCTEOSA-N -1 0 411.870 4.283 50 30 HIEARM COC(=O)C[C@H](c1ccc(OC)c2ccccc21)C1=C([O-])c2ccccc2C(=O)C1=O ZINC000217824406 568914758 /nfs/dbraw/zinc/91/47/58/568914758.db2.gz MKFJLSFYQMWIOZ-LJQANCHMSA-N -1 0 416.429 4.386 50 30 HIEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccccc2OCc2ccccc2)n1 ZINC000006606038 569071234 /nfs/dbraw/zinc/07/12/34/569071234.db2.gz DSPNVHRSLNEFRZ-GOSISDBHSA-N -1 0 406.463 4.064 50 30 HIEARM Cc1nc(=O)[n-]c(S[C@@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)c1C#N ZINC000008704041 571102955 /nfs/dbraw/zinc/10/29/55/571102955.db2.gz CICBWBWERZMDIB-HXUWFJFHSA-N -1 0 400.463 4.148 50 30 HIEARM C=CCN1c2cc([N-]S(=O)(=O)c3ccccc3Cl)ccc2OCC(C)(C)C1=O ZINC000009171077 571233863 /nfs/dbraw/zinc/23/38/63/571233863.db2.gz YPCUKQCUHVYMPA-UHFFFAOYSA-N -1 0 420.918 4.078 50 30 HIEARM COc1ccccc1[C@H]1C(=C([O-])c2ccc(Cl)cc2)C(=O)C(=O)N1c1cc(C)on1 ZINC000009462431 571260704 /nfs/dbraw/zinc/26/07/04/571260704.db2.gz XCJDRUCUKNLLSV-IBGZPJMESA-N -1 0 424.840 4.428 50 30 HIEARM O=C(C=Cc1cc(Cl)c2c(c1)OCCO2)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000097127680 852585025 /nfs/dbraw/zinc/58/50/25/852585025.db2.gz CPDUQLYZCYUVDF-NJMVCRMVSA-N -1 0 405.859 4.082 50 30 HIEARM CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)CCC(=O)[O-])[C@H]2c1ccco1 ZINC000021722504 520260634 /nfs/dbraw/zinc/26/06/34/520260634.db2.gz JLKDQPCQSLSDJE-QFIPXVFZSA-N -1 0 408.454 4.287 50 30 HIEARM COc1cc(/C=C/C(=O)c2ccc(SCC(=O)[O-])c(OC)c2)ccc1OC(F)F ZINC000058184484 521941573 /nfs/dbraw/zinc/94/15/73/521941573.db2.gz NXPKTYUTWRZJQI-ZZXKWVIFSA-N -1 0 424.421 4.378 50 30 HIEARM CCc1c(C)c(C#N)c2nc3ccccc3n2c1NN=Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000036300177 523707164 /nfs/dbraw/zinc/70/71/64/523707164.db2.gz VKMYAOUPHOIFSA-WYMPLXKRSA-N -1 0 414.425 4.290 50 30 HIEARM Cc1ccc(-c2cnc(CCC(=O)[N-]S(=O)(=O)c3ccc(F)cc3)o2)cc1C ZINC000040129694 525768363 /nfs/dbraw/zinc/76/83/63/525768363.db2.gz ISYAPANWCSBUQE-UHFFFAOYSA-N -1 0 402.447 4.376 50 30 HIEARM O=[N+]([O-])c1ccc([O-])c(CN=Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c1 ZINC000033837428 527370008 /nfs/dbraw/zinc/37/00/08/527370008.db2.gz RDAYFEKNRSFKBL-OEAKJJBVSA-N -1 0 412.409 4.265 50 30 HIEARM CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OCC(=O)[O-])c(Cl)c3)S2)cc1 ZINC000000979055 557129802 /nfs/dbraw/zinc/12/98/02/557129802.db2.gz ABNIYDTWWMFBAN-YVLHZVERSA-N -1 0 416.886 4.257 50 30 HIEARM O=C([O-])c1ccc(-c2ccc(/C=N/n3cnc4sc5c(c4c3=O)CCCC5)o2)cc1 ZINC000001197436 557238293 /nfs/dbraw/zinc/23/82/93/557238293.db2.gz XDVBQFQMUZASQM-BHGWPJFGSA-N -1 0 419.462 4.177 50 30 HIEARM O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000006844606 557726676 /nfs/dbraw/zinc/72/66/76/557726676.db2.gz SNGREZUHAYWORS-UHFFFAOYSA-N -1 0 414.064 4.445 50 30 in-man HIEARM COc1ccc(C=Nn2c(=S)[n-]nc2C(F)F)cc1COc1ccc(C)cc1 ZINC000002792371 557764601 /nfs/dbraw/zinc/76/46/01/557764601.db2.gz XKUOZIFRPILWJL-LSHDLFTRSA-N -1 0 404.442 4.283 50 30 HIEARM O=c1c(N=Nc2ccc(Cl)c([N+](=O)[O-])c2)c(-c2ccccc2)[n-]n1-c1ccccc1 ZINC000008440084 557789344 /nfs/dbraw/zinc/78/93/44/557789344.db2.gz TXSKKJJVRHDIQA-GFMRDNFCSA-N -1 0 419.828 4.467 50 30 HIEARM O=C1c2ccc(O)cc2O/C1=C\c1cc(Br)c([O-])c(Br)c1 ZINC000299738136 558259141 /nfs/dbraw/zinc/25/91/41/558259141.db2.gz AYCGANSSFCXUQN-ACAGNQJTSA-N -1 0 412.033 4.239 50 30 HIEARM Cc1cc(/C=N/CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c([O-])c([N+](=O)[O-])c1 ZINC000019849879 558295373 /nfs/dbraw/zinc/29/53/73/558295373.db2.gz RULGETARXQWKMJ-ZVBGSRNCSA-N -1 0 412.324 4.067 50 30 HIEARM COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4cccc(C)c4)c3=O)n2)cc1 ZINC000012462775 558419274 /nfs/dbraw/zinc/41/92/74/558419274.db2.gz IECANIMFFCVXAC-CLCOLTQESA-N -1 0 405.483 4.318 50 30 HIEARM O=C([O-])COc1ccc(/C=C2\S/C(=N\c3cccc(C(F)(F)F)c3)NC2=O)cc1 ZINC000015016283 558702006 /nfs/dbraw/zinc/70/20/06/558702006.db2.gz HLBCVSSEWAHZCI-NVNXTCNLSA-N -1 0 422.384 4.060 50 30 HIEARM CCCOc1cccc([C@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000016741459 558803611 /nfs/dbraw/zinc/80/36/11/558803611.db2.gz WHUIRCFYBODYAC-IBGZPJMESA-N -1 0 408.410 4.148 50 30 HIEARM O=C(CCC(=O)c1ccc(F)cc1F)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000058042152 558896461 /nfs/dbraw/zinc/89/64/61/558896461.db2.gz KTPLNAZANANUKN-UHFFFAOYSA-N -1 0 405.422 4.201 50 30 HIEARM CN1CCc2c(C#N)c(/N=C/c3cc(Br)cc(Cl)c3[O-])sc2C1 ZINC000004739508 559043199 /nfs/dbraw/zinc/04/31/99/559043199.db2.gz PMSAQXOWNGJUNL-IFRROFPPSA-N -1 0 410.724 4.480 50 30 HIEARM COc1ccccc1N=Nc1c(C)[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c1=O ZINC000100296374 559133821 /nfs/dbraw/zinc/13/38/21/559133821.db2.gz GYEBWIHWFGIGJC-LYBHJNIJSA-N -1 0 405.483 4.318 50 30 HIEARM C[C@@H]([N-]C(=O)[C@](F)(N(C(F)(F)F)C(F)(F)F)C(F)(F)F)c1ccccc1 ZINC000100556836 559136500 /nfs/dbraw/zinc/13/65/00/559136500.db2.gz NZDSYEQKTLSCHK-XCBNKYQSSA-N -1 0 400.216 4.434 50 30 HIEARM C=CCn1c(=O)c(C(=O)Nc2nc(-c3ccccc3)cs2)c([O-])c2ccccc21 ZINC000100537050 559276378 /nfs/dbraw/zinc/27/63/78/559276378.db2.gz SHOKPZVFYSNXOG-UHFFFAOYSA-N -1 0 403.463 4.269 50 30 in-vitro HIEARM CCc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccc(C)cc3)c(C#N)c(=O)[n-]2)cc1 ZINC000005238320 560548817 /nfs/dbraw/zinc/54/88/17/560548817.db2.gz FUDRUXZGRQCMQT-HNNXBMFYSA-N -1 0 418.522 4.299 50 30 HIEARM COc1cccc(OCc2cc(C=NNc3ccc(C(=O)[O-])cc3)ccc2OC)c1 ZINC000005577035 560624736 /nfs/dbraw/zinc/62/47/36/560624736.db2.gz XAVIKIBYDAOWPO-ZVHZXABRSA-N -1 0 406.438 4.427 50 30 HIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC(C)C)cc3)[C@H]2c2cccs2)no1 ZINC000102369263 560809844 /nfs/dbraw/zinc/80/98/44/560809844.db2.gz DUAJJHYMHKXONE-LFVOPCPISA-N -1 0 424.478 4.458 50 30 HIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC(C)C)cc3)[C@@H]2c2cccs2)no1 ZINC000102369266 560809848 /nfs/dbraw/zinc/80/98/48/560809848.db2.gz DUAJJHYMHKXONE-WOOAAIBNSA-N -1 0 424.478 4.458 50 30 HIEARM O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccc(F)cc2)C1=C([O-])c1ccc(Cl)cc1 ZINC000102646787 560818817 /nfs/dbraw/zinc/81/88/17/560818817.db2.gz WDALIJQOXKFOQV-YDJIHCHBSA-N -1 0 422.843 4.496 50 30 HIEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccccc1 ZINC000102711885 560822995 /nfs/dbraw/zinc/82/29/95/560822995.db2.gz QVHJJJYLZBMAEF-MOBKVPTQSA-N -1 0 423.509 4.098 50 30 HIEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000102895536 560833235 /nfs/dbraw/zinc/83/32/35/560833235.db2.gz GFGUYFJNQANISH-WOOAAIBNSA-N -1 0 424.840 4.271 50 30 HIEARM COc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@@H]3c3ccco3)sc2c1 ZINC000000796044 568481195 /nfs/dbraw/zinc/48/11/95/568481195.db2.gz MRSKVEACKBYWBY-KRWDZBQOSA-N -1 0 422.418 4.274 50 30 HIEARM CN1CCN(Cc2c3c(ccc2[O-])C(=O)/C(=C/c2c(Cl)cccc2Cl)O3)CC1 ZINC000020533217 568629511 /nfs/dbraw/zinc/62/95/11/568629511.db2.gz UJWITPJOUFRJML-ODLFYWEKSA-N -1 0 419.308 4.063 50 30 HIEARM Cc1cc(C=Nn2c(SCC(=O)[O-])nnc2C2CCCCC2)c(C)n1CC(C)C ZINC000254818166 568863418 /nfs/dbraw/zinc/86/34/18/568863418.db2.gz FLGMJAANQVKUHJ-UHFFFAOYSA-N -1 0 417.579 4.459 50 30 HIEARM C=C(C)COc1ccc([C@@H](CC(=O)OC)c2c([O-])c3ccccc3oc2=O)cc1OC ZINC000218082095 568925319 /nfs/dbraw/zinc/92/53/19/568925319.db2.gz VDAPFKKGJHQCGA-QGZVFWFLSA-N -1 0 424.449 4.157 50 30 HIEARM C[C@H](Oc1cccc(C#N)c1)C(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000084001608 568932778 /nfs/dbraw/zinc/93/27/78/568932778.db2.gz NLPHKDKBNVYGKI-QMMMGPOBSA-N -1 0 405.284 4.039 50 30 HIEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@H]2c2ccc(Cl)cc2)s1 ZINC000001464674 568990100 /nfs/dbraw/zinc/99/01/00/568990100.db2.gz RGSQAEJUZDMOSN-CQSZACIVSA-N -1 0 417.899 4.344 50 30 HIEARM CCOc1cc(/C=C/C(=O)c2ccc(OCC(=O)[O-])c(OC)c2)cc(Cl)c1OC ZINC000013357491 569255225 /nfs/dbraw/zinc/25/52/25/569255225.db2.gz RSJCALPASZZYFA-FNORWQNLSA-N -1 0 420.845 4.115 50 30 HIEARM O=c1c(N=Nc2ccccc2Cl)c(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1ccccc1 ZINC000008958845 569275615 /nfs/dbraw/zinc/27/56/15/569275615.db2.gz VIRHHTWWYXAHHA-HIXSDJFHSA-N -1 0 419.828 4.467 50 30 HIEARM CN1C(=O)/C(=C/c2cc3c(cc2Cl)OCO3)SC1=Nc1ccc(C(=O)[O-])cc1 ZINC000252642949 569318785 /nfs/dbraw/zinc/31/87/85/569318785.db2.gz ZRSNAOWHWVYHIJ-VNOLOYJFSA-N -1 0 416.842 4.001 50 30 HIEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(F)cc2)cc1 ZINC000008740653 571110262 /nfs/dbraw/zinc/11/02/62/571110262.db2.gz UBSLGCYYWIJPDI-FQEVSTJZSA-N -1 0 422.412 4.304 50 30 HIEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000008740654 571110297 /nfs/dbraw/zinc/11/02/97/571110297.db2.gz UBSLGCYYWIJPDI-HXUWFJFHSA-N -1 0 422.412 4.304 50 30 HIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2cccc(O)c2)no1 ZINC000008996651 571208834 /nfs/dbraw/zinc/20/88/34/571208834.db2.gz ZKNXEMNJMYWAMQ-GOSISDBHSA-N -1 0 410.813 4.125 50 30 HIEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000009244177 571241245 /nfs/dbraw/zinc/24/12/45/571241245.db2.gz ICZQKROEEXZBFI-LJQANCHMSA-N -1 0 424.840 4.428 50 30 HIEARM C=CCc1cc(-c2c3cc(O)c([O-])cc3oc3cc(=O)c(O)cc2-3)cc(OC)c1O ZINC000004894034 845072004 /nfs/dbraw/zinc/07/20/04/845072004.db2.gz UAWKMTJIAIDPSI-UHFFFAOYSA-N -1 0 406.390 4.124 50 30 HIEARM Fc1ccc(OCc2ccc(C=Nn3c(=S)[n-]nc3C(F)F)o2)cc1Cl ZINC000036611360 526360001 /nfs/dbraw/zinc/36/00/01/526360001.db2.gz QIIMDKUEHRBXKN-CGOBSMCZSA-N -1 0 402.785 4.351 50 30 HIEARM COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccccc2Br)cc1OC ZINC000001243022 557250682 /nfs/dbraw/zinc/25/06/82/557250682.db2.gz VFEKKOBTKZJXHG-VXLYETTFSA-N -1 0 419.304 4.270 50 30 HIEARM CCOC(=O)c1ccc(N=NC(C(=O)c2ccccc2)=C([O-])c2ccccc2)cc1 ZINC000002135007 557317351 /nfs/dbraw/zinc/31/73/51/557317351.db2.gz YUEIHZAGMDJMPC-UHFFFAOYSA-N -1 0 400.434 4.397 50 30 HIEARM Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OCC(=O)[O-])c(Cl)c3)S2)cc1 ZINC000004694930 557582176 /nfs/dbraw/zinc/58/21/76/557582176.db2.gz NJFKXMLSRGNAMO-CXUHLZMHSA-N -1 0 402.859 4.003 50 30 HIEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)s1 ZINC000005800643 557675325 /nfs/dbraw/zinc/67/53/25/557675325.db2.gz IRQZJCJPOAOEHK-KRWDZBQOSA-N -1 0 409.442 4.077 50 30 HIEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2ccc(F)cc2)s1 ZINC000005800691 557675350 /nfs/dbraw/zinc/67/53/50/557675350.db2.gz IRQZJCJPOAOEHK-QGZVFWFLSA-N -1 0 409.442 4.077 50 30 HIEARM O=C([N-]c1c(F)c(F)c(F)c(F)c1F)c1cnn2c1nc(C1CC1)cc2C(F)F ZINC000002776709 557760788 /nfs/dbraw/zinc/76/07/88/557760788.db2.gz IQVRVYHLKYNKFH-UHFFFAOYSA-N -1 0 418.272 4.492 50 30 HIEARM O=c1c(N=Nc2ccccc2Cl)c(-c2ccccc2)[n-]n1-c1ccc([N+](=O)[O-])cc1 ZINC000008398127 557786330 /nfs/dbraw/zinc/78/63/30/557786330.db2.gz ZSOTXDDLBFIYGW-GFMRDNFCSA-N -1 0 419.828 4.467 50 30 HIEARM COc1ccc(/N=C2/NC(=O)/C(=C\c3cccn3-c3cccc(C(=O)[O-])c3)S2)cc1 ZINC000009262897 557833693 /nfs/dbraw/zinc/83/36/93/557833693.db2.gz FQAIEDXSEVPUTC-CPNJWEJPSA-N -1 0 419.462 4.076 50 30 HIEARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1cc([N+](=O)[O-])ccc1C ZINC000012285034 558365304 /nfs/dbraw/zinc/36/53/04/558365304.db2.gz HFWQPOIVAGDDOD-PTGBLXJZSA-N -1 0 420.454 4.217 50 30 HIEARM C=CCOc1ccc(/C=C2\C(=O)[N-]N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000016248010 559078621 /nfs/dbraw/zinc/07/86/21/559078621.db2.gz MYTATTBVWSCSHU-NTEUORMPSA-N -1 0 419.264 4.028 50 30 HIEARM Cc1c(Cl)cccc1NC(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[n-]1 ZINC000005238226 560548668 /nfs/dbraw/zinc/54/86/68/560548668.db2.gz BCJWRGZXFBQEQK-UHFFFAOYSA-N -1 0 410.886 4.001 50 30 HIEARM COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccccc2)cc1Cl ZINC000102501133 560812509 /nfs/dbraw/zinc/81/25/09/560812509.db2.gz OYTYVXKMVZWOHR-YDJIHCHBSA-N -1 0 420.852 4.370 50 30 HIEARM O=C1C(=O)N(C[C@@H]2CCCO2)[C@@H](c2ccc(F)cc2)C1=C([O-])c1ccc(Cl)cc1 ZINC000102531243 560813418 /nfs/dbraw/zinc/81/34/18/560813418.db2.gz DBXWDZBVCBCMOW-ISYIFQNYSA-N -1 0 415.848 4.080 50 30 HIEARM COc1cccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Cl)cc2)c1 ZINC000102804130 560826782 /nfs/dbraw/zinc/82/67/82/560826782.db2.gz YMNYVQGHIWAMPM-WOOAAIBNSA-N -1 0 424.840 4.271 50 30 HIEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nccs3)[C@H]2c2cccc(F)c2)cc1C ZINC000102875773 560830691 /nfs/dbraw/zinc/83/06/91/560830691.db2.gz HNUXTQFQOQRQLY-GHNGSUTGSA-N -1 0 424.453 4.226 50 30 HIEARM Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCC(=O)[O-])[C@@H]2c2ccccc2)cc1 ZINC000102881226 560833777 /nfs/dbraw/zinc/83/37/77/560833777.db2.gz GQZJVBZOZHFKDA-JBCNATCCSA-N -1 0 407.466 4.062 50 30 HIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc(O)cc2)no1 ZINC000005800512 568735377 /nfs/dbraw/zinc/73/53/77/568735377.db2.gz OPCCBMYTGITFOG-SFHVURJKSA-N -1 0 410.813 4.125 50 30 HIEARM O=C([N-]S(=O)(=O)c1cnccc1Nc1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000096581432 568762436 /nfs/dbraw/zinc/76/24/36/568762436.db2.gz FHJYVNFXRCQXPJ-UHFFFAOYSA-N -1 0 413.299 4.052 50 30 HIEARM C[C@H](Sc1nc(-c2ccccc2)c(C#N)c(=O)[n-]1)C(=O)Nc1ccc(Cl)cc1 ZINC000002751022 568806448 /nfs/dbraw/zinc/80/64/48/568806448.db2.gz DGNRVGPZXZKQQS-LBPRGKRZSA-N -1 0 410.886 4.494 50 30 HIEARM C=C1CC[C@H]2[C@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1CNCC(=O)[O-] ZINC000004028942 568934219 /nfs/dbraw/zinc/93/42/19/568934219.db2.gz HDVCFXRYOTXWAY-RYSNXRDVSA-N -1 0 417.546 4.338 50 30 biogenic HIEARM Cc1cccc(O)c1/N=C/c1cc(Br)c([O-])c(Br)c1O ZINC000001445066 568982190 /nfs/dbraw/zinc/98/21/90/568982190.db2.gz LGVRDQQMUNBVPH-UBKPWBPPSA-N -1 0 401.054 4.387 50 30 HIEARM CCOc1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000001451103 568986456 /nfs/dbraw/zinc/98/64/56/568986456.db2.gz JXJBWCVCIFYUKS-SFHVURJKSA-N -1 0 410.451 4.226 50 30 HIEARM COc1cccc(C(=O)Oc2ccc(C=NNc3ccc(C(=O)[O-])cc3)cc2OC)c1 ZINC000008952502 569275593 /nfs/dbraw/zinc/27/55/93/569275593.db2.gz DHVQIHOMKVDYMY-ZVHZXABRSA-N -1 0 420.421 4.067 50 30 HIEARM COc1ccccc1-c1n[n-]c(=S)n1N=Cc1cc(Br)ccc1F ZINC000006166199 569279682 /nfs/dbraw/zinc/27/96/82/569279682.db2.gz PBGNYMALTVTOHS-DJKKODMXSA-N -1 0 407.268 4.400 50 30 HIEARM O=c1c(N=Nc2cccc(Cl)c2)c(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1ccccc1 ZINC000252461158 569286704 /nfs/dbraw/zinc/28/67/04/569286704.db2.gz LAEWYEJKAHDNBQ-UHFFFAOYSA-N -1 0 419.828 4.467 50 30 HIEARM COc1ccc(Cl)cc1/C=C1\SC(=Nc2ccc(C(=O)[O-])cc2)N(C)C1=O ZINC000252622324 569307952 /nfs/dbraw/zinc/30/79/52/569307952.db2.gz NSPPTAWOGWRBCU-NOPVENIWSA-N -1 0 402.859 4.281 50 30 HIEARM CCOc1ccc(-c2n[n-]c(=S)n2N=Cc2cc(Br)ccc2O)cc1 ZINC000002223210 569313260 /nfs/dbraw/zinc/31/32/60/569313260.db2.gz KFLKTVNJBFCCJQ-VXLYETTFSA-N -1 0 419.304 4.357 50 30 HIEARM CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)C(=N[O-])Sc1ccccc1 ZINC000252634270 569315539 /nfs/dbraw/zinc/31/55/39/569315539.db2.gz WMEWOLCHDVGRME-UHFFFAOYSA-N -1 0 423.494 4.429 50 30 HIEARM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1ccc(C)c(OC)c1 ZINC000328594467 569415768 /nfs/dbraw/zinc/41/57/68/569415768.db2.gz MIIPKIVYHJNKIC-FQEVSTJZSA-N -1 0 407.514 4.431 50 30 HIEARM CCOC[C@H](C)CS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000328595773 569416038 /nfs/dbraw/zinc/41/60/38/569416038.db2.gz DYWZNTRVIKPWOK-IRXDYDNUSA-N -1 0 404.532 4.167 50 30 HIEARM C=CCSc1nnc([N-]C(=O)c2cc(-c3ccc4c(c3)C[C@H](C)O4)on2)s1 ZINC000028286899 519088825 /nfs/dbraw/zinc/08/88/25/519088825.db2.gz ZFSSMYXBDJULIA-JTQLQIEISA-N -1 0 400.485 4.047 50 30 HIEARM Cc1csc(C(C#N)=C([O-])c2ccccc2OCc2cn3cc(C)ccc3n2)n1 ZINC000048787883 526402771 /nfs/dbraw/zinc/40/27/71/526402771.db2.gz MZJXKADOBASEDK-SFHVURJKSA-N -1 0 402.479 4.477 50 30 HIEARM O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccc(Cl)cc2)C1=C([O-])c1ccccc1 ZINC000102929734 526955573 /nfs/dbraw/zinc/95/55/73/526955573.db2.gz LRDWYQHWUFTIDC-YDJIHCHBSA-N -1 0 404.853 4.357 50 30 HIEARM COc1ccc(-c2n[n-]c(=S)n2N=Cc2cc(Br)ccc2OC)cc1 ZINC000001473638 557269450 /nfs/dbraw/zinc/26/94/50/557269450.db2.gz NXSONVGSGHNKHH-VXLYETTFSA-N -1 0 419.304 4.270 50 30 HIEARM Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCCCC(=O)[O-])cc1 ZINC000004952161 557616615 /nfs/dbraw/zinc/61/66/15/557616615.db2.gz BBJOZIYAWZEPQY-OAQYLSRUSA-N -1 0 407.466 4.218 50 30 HIEARM C#CCOC([O-])=NC(=O)c1ccc(Oc2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])c1 ZINC000003467897 557824546 /nfs/dbraw/zinc/82/45/46/557824546.db2.gz NOGJMSMXUBYDJJ-UHFFFAOYSA-N -1 0 409.181 4.194 50 30 HIEARM COc1ccc(/C=C2/S/C(=N/c3ccc(Cl)c(C(=O)[O-])c3)NC2=O)cc1C ZINC000004565313 558730364 /nfs/dbraw/zinc/73/03/64/558730364.db2.gz YUMLSMDDPYKHFR-LZYBPNLTSA-N -1 0 402.859 4.247 50 30 HIEARM CCOC(=O)c1sc(N=Cc2c(C)[n-]n(-c3ccc(C)cc3)c2=O)c(C#N)c1C ZINC000100026786 559111169 /nfs/dbraw/zinc/11/11/69/559111169.db2.gz KKNYYGUAZDFHGI-GZTJUZNOSA-N -1 0 408.483 4.132 50 30 HIEARM CC(=O)C=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100041687 559129080 /nfs/dbraw/zinc/12/90/80/559129080.db2.gz VMRLNPHYYNLINM-UHFFFAOYSA-N -1 0 404.122 4.273 50 30 HIEARM Cc1ccc(-c2nc(S[C@@H](C)C(=O)Nc3ccccc3C)[n-]c(=O)c2C#N)cc1 ZINC000005238315 560548855 /nfs/dbraw/zinc/54/88/55/560548855.db2.gz QTEQYNWTMRFJIP-HNNXBMFYSA-N -1 0 404.495 4.045 50 30 HIEARM CC(=O)/C(=N\Nc1c(Cl)cccc1Cl)Sc1nnnn1-c1ccccc1 ZINC000018067896 560774566 /nfs/dbraw/zinc/77/45/66/560774566.db2.gz ZPUXJOCUYYBESS-HMMYKYKNSA-N -1 0 407.286 4.076 50 30 HIEARM CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1ccccc1OCC(=O)[O-])OCO3 ZINC000018197589 560782470 /nfs/dbraw/zinc/78/24/70/560782470.db2.gz LXLZQLHXXMXNAB-QFIPXVFZSA-N -1 0 421.449 4.079 50 30 HIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@H]2c2ccc(Cl)cc2)no1 ZINC000102804048 560826755 /nfs/dbraw/zinc/82/67/55/560826755.db2.gz GYPKJIZLCZEMQS-IBOXJLQUSA-N -1 0 400.843 4.324 50 30 HIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@@H]2c2cccc(Cl)c2)no1 ZINC000102806125 560827308 /nfs/dbraw/zinc/82/73/08/560827308.db2.gz MVINXHQASGCIEC-UYTDBDHRSA-N -1 0 400.843 4.324 50 30 HIEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(C)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102924896 560834244 /nfs/dbraw/zinc/83/42/44/560834244.db2.gz ZAUPXYBSYZHWNQ-SELCWUDQSA-N -1 0 420.292 4.370 50 30 HIEARM Cc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000046141270 568429727 /nfs/dbraw/zinc/42/97/27/568429727.db2.gz BUSKESGJMFNATH-UHFFFAOYSA-N -1 0 422.491 4.446 50 30 HIEARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@H](c1ccc(Br)cc1)C(C#N)C#N ZINC000000837273 568514848 /nfs/dbraw/zinc/51/48/48/568514848.db2.gz XREZHCRBWZQGBU-OALUTQOASA-N -1 0 407.271 4.235 50 30 HIEARM N#Cc1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])sc2c1CC[C@@H](c1ccccc1)C2 ZINC000225773357 568781543 /nfs/dbraw/zinc/78/15/43/568781543.db2.gz JWNVSQZZZYZRNF-KBAYOESNSA-N -1 0 406.507 4.498 50 30 HIEARM COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000001170273 568821182 /nfs/dbraw/zinc/82/11/82/568821182.db2.gz MPPKJCKSDWDURH-UHFFFAOYSA-N -1 0 414.413 4.435 50 30 HIEARM N#CC(c1nc(C23CC4CC(CC(C4)C2)C3)cs1)=C1[N-]S(=O)(=O)c2ccccc21 ZINC000012558788 568856639 /nfs/dbraw/zinc/85/66/39/568856639.db2.gz OCGQGKBECZHGQJ-DCJJRUGTSA-N -1 0 423.563 4.410 50 30 HIEARM Cc1ccccc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[n-]1 ZINC000015859810 569015400 /nfs/dbraw/zinc/01/54/00/569015400.db2.gz IEURTHXLPXPDEG-UHFFFAOYSA-N -1 0 410.886 4.414 50 30 HIEARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC2=CC(=O)CC(C)(C)C2)ccc1C ZINC000006550624 569064808 /nfs/dbraw/zinc/06/48/08/569064808.db2.gz YSKWHZICTYTUID-UHFFFAOYSA-N -1 0 414.527 4.489 50 30 HIEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2cccnc2Sc2ccccc2)n1 ZINC000006606114 569071254 /nfs/dbraw/zinc/07/12/54/569071254.db2.gz YLDKKNFSWIOLFC-INIZCTEOSA-N -1 0 409.492 4.031 50 30 HIEARM Cc1csc(C(C#N)=C([O-])COC(=O)Cc2coc3ccc4ccccc4c23)n1 ZINC000006648675 569081322 /nfs/dbraw/zinc/08/13/22/569081322.db2.gz OYIJEKIIOTUTIG-KRWDZBQOSA-N -1 0 404.447 4.313 50 30 HIEARM N#Cc1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])sc2c1CC[C@H](c1ccccc1)C2 ZINC000017087396 569273015 /nfs/dbraw/zinc/27/30/15/569273015.db2.gz JWNVSQZZZYZRNF-CGTJXYLNSA-N -1 0 406.507 4.498 50 30 HIEARM Cc1ccc(N=Nc2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c2=O)c(C)c1 ZINC000252598910 569296696 /nfs/dbraw/zinc/29/66/96/569296696.db2.gz DELPAEGPHPTYTD-UHFFFAOYSA-N -1 0 413.437 4.431 50 30 HIEARM O=C1c2ccc([O-])c(CN3CCOCC3)c2O/C1=C\c1c(Cl)cccc1Cl ZINC000002430491 569399156 /nfs/dbraw/zinc/39/91/56/569399156.db2.gz HVEZRMVCCJPGTN-ZDLGFXPLSA-N -1 0 406.265 4.147 50 30 HIEARM Nc1ccc2[nH]c(-c3ccc(N=Cc4cc([N+](=O)[O-])cc([N+](=O)[O-])c4[O-])cc3)nc2c1 ZINC000008857453 571128259 /nfs/dbraw/zinc/12/82/59/571128259.db2.gz NSLQOQMSEMKKBE-LSHDLFTRSA-N -1 0 418.369 4.085 50 30 HIEARM COc1ccc(-c2nc(NCc3cccc(C(F)(F)F)c3)[n-]c(=O)c2C#N)cc1 ZINC000040129989 571182174 /nfs/dbraw/zinc/18/21/74/571182174.db2.gz BKOFBYCBGVBSHK-UHFFFAOYSA-N -1 0 400.360 4.360 50 30 HIEARM O=C([O-])CCCCC(=NNc1ccc(I)cc1)c1ccccn1 ZINC000008994389 571208311 /nfs/dbraw/zinc/20/83/11/571208311.db2.gz LGQROMBFUFPFPF-LTGZKZEYSA-N -1 0 423.254 4.147 50 30 HIEARM CCCOc1ccc([C@@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000008996434 571208914 /nfs/dbraw/zinc/20/89/14/571208914.db2.gz PLNKQLTVXBUFIA-LJQANCHMSA-N -1 0 408.410 4.148 50 30 HIEARM CCCCCOc1ccc(/C=N/n2c([O-])nc3c4cc(C)ccc4[nH]c3c2=O)cc1 ZINC000009013121 571210998 /nfs/dbraw/zinc/21/09/98/571210998.db2.gz KBCWUIHMSFPJLJ-ZVHZXABRSA-N -1 0 404.470 4.343 50 30 HIEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000009244178 571241203 /nfs/dbraw/zinc/24/12/03/571241203.db2.gz ICZQKROEEXZBFI-IBGZPJMESA-N -1 0 424.840 4.428 50 30 HIEARM C=CCOc1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000009462505 571260664 /nfs/dbraw/zinc/26/06/64/571260664.db2.gz SRBIBBFVBRILDK-IBGZPJMESA-N -1 0 422.462 4.392 50 30 HIEARM O=C([O-])[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)CC1CCOCC1 ZINC000328598364 571317320 /nfs/dbraw/zinc/31/73/20/571317320.db2.gz LUHIUFUMIGTUMO-QGZVFWFLSA-N -1 0 409.482 4.247 50 30 HIEARM C[C@@H](Oc1ccc(C(=O)/C=C\c2cc(Cl)c3c(c2)OCCCO3)cc1)C(=O)[O-] ZINC000096891413 852556869 /nfs/dbraw/zinc/55/68/69/852556869.db2.gz YOKJHMVEKRWYGV-UJYKQDJBSA-N -1 0 402.830 4.249 50 30 HIEARM O=C(C=Cc1cc(Cl)c2c(c1)OCCO2)[N-]S(=O)(=O)C=Cc1ccccc1 ZINC000097127683 852584904 /nfs/dbraw/zinc/58/49/04/852584904.db2.gz CPDUQLYZCYUVDF-BQGCWICQSA-N -1 0 405.859 4.082 50 30 HIEARM O=C([O-])[C@H]1C/C(=C/c2cn(-c3ccc(Cl)cc3Cl)nn2)C(=O)c2ccccc21 ZINC000328593137 855422602 /nfs/dbraw/zinc/42/26/02/855422602.db2.gz GSPOSTBXLZEHKH-UBAGTECSSA-N -1 0 414.248 4.412 50 30 HIEARM C=CCCOc1ccc(-c2nnc(CCC(=O)N[C@H](C)c3ccccc3)c(=O)[n-]2)cc1 ZINC000034764217 518709710 /nfs/dbraw/zinc/70/97/10/518709710.db2.gz PGVUQYFIKOTRKF-QGZVFWFLSA-N -1 0 418.497 4.009 50 30 HIEARM Cc1[n-]n(-c2nc(-c3ccccc3O)cs2)c(=O)c1N=Nc1cccc(C)c1C ZINC000100149412 520899170 /nfs/dbraw/zinc/89/91/70/520899170.db2.gz PAUPBTAOCBBAFQ-CLCOLTQESA-N -1 0 405.483 4.323 50 30 HIEARM COc1ccc(-n2cc(C(=O)[O-])c3c2[C@H](c2ccc(C#N)cc2)CC(=O)N3)c(OC)c1 ZINC000044922177 523326767 /nfs/dbraw/zinc/32/67/67/523326767.db2.gz QOECWULOVNCQGL-INIZCTEOSA-N -1 0 417.421 4.188 50 30 HIEARM O=[N+]([O-])c1ccc(C=N[N-]c2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)o1 ZINC000033154787 527345348 /nfs/dbraw/zinc/34/53/48/527345348.db2.gz IZQJOMLNSLCKJZ-BKUYFWCQSA-N -1 0 416.401 4.306 50 30 HIEARM O=C([O-])CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000027551511 527590432 /nfs/dbraw/zinc/59/04/32/527590432.db2.gz QOXMFLOFWUAFRX-KRWDZBQOSA-N -1 0 420.248 4.046 50 30 HIEARM COC(=O)c1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2Br)cc1 ZINC000001478457 557269790 /nfs/dbraw/zinc/26/97/90/557269790.db2.gz NLONDBKUMPRGEZ-VXLYETTFSA-N -1 0 417.288 4.039 50 30 HIEARM [O-]c1c(Br)cc(Cl)cc1CN=Nc1nncc(-c2ccccc2)n1 ZINC000004476788 557557591 /nfs/dbraw/zinc/55/75/91/557557591.db2.gz SLSPEQOXHGNEME-UFWORHAWSA-N -1 0 404.655 4.106 50 30 HIEARM Cc1cccc(/N=C2/NC(=O)/C(=C\c3ccc(OCC(=O)[O-])c(Cl)c3)S2)c1C ZINC000004704685 557584670 /nfs/dbraw/zinc/58/46/70/557584670.db2.gz UZUUKXYXAHOIPC-RQZCQDPDSA-N -1 0 416.886 4.312 50 30 HIEARM O=[N+]([O-])c1ccccc1C=Nn1c(=S)[n-]nc1-c1ccccc1Br ZINC000005649742 557666605 /nfs/dbraw/zinc/66/66/05/557666605.db2.gz UIQIJZYBXGPBHU-RQZCQDPDSA-N -1 0 404.249 4.161 50 30 HIEARM CCCOc1cccc([C@@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000016741460 558803584 /nfs/dbraw/zinc/80/35/84/558803584.db2.gz WHUIRCFYBODYAC-LJQANCHMSA-N -1 0 408.410 4.148 50 30 HIEARM O=C([O-])CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc(F)c1 ZINC000017731656 558827789 /nfs/dbraw/zinc/82/77/89/558827789.db2.gz PLRVRWMCIGVFSG-FQEVSTJZSA-N -1 0 411.429 4.049 50 30 HIEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000013570325 558844394 /nfs/dbraw/zinc/84/43/94/558844394.db2.gz IAWKDSTXODOGQX-IBGZPJMESA-N -1 0 408.410 4.066 50 30 HIEARM CC(C)c1nnc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@@H]2c2ccco2)s1 ZINC000013692225 558855906 /nfs/dbraw/zinc/85/59/06/558855906.db2.gz WRTQIDNBTWSNDQ-ZDUSSCGKSA-N -1 0 401.469 4.099 50 30 HIEARM [O-]C(c1cccc(C(O)(C(F)(F)F)C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F ZINC000068591179 558863612 /nfs/dbraw/zinc/86/36/12/558863612.db2.gz PGUIOHNOYADLMU-UHFFFAOYSA-N -1 0 410.154 4.311 50 30 HIEARM O=C1Nc2ccc(F)cc2/C1=N/c1cc(Br)c([O-])c(Br)c1 ZINC000077024160 558999129 /nfs/dbraw/zinc/99/91/29/558999129.db2.gz NIJPFEQQEYJKQL-UHFFFAOYSA-N -1 0 414.028 4.129 50 30 HIEARM O=C(C=C([O-])C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100034196 559129014 /nfs/dbraw/zinc/12/90/14/559129014.db2.gz NICYPDXBQUERJQ-UHFFFAOYSA-N -1 0 408.085 4.181 50 30 HIEARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@H](c1ccc(Br)cc1)C(C#N)C#N ZINC000100557895 559226225 /nfs/dbraw/zinc/22/62/25/559226225.db2.gz XREZHCRBWZQGBU-MOPGFXCFSA-N -1 0 407.271 4.235 50 30 HIEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@@H]2c2cccc3ccccc32)s1 ZINC000102437957 560811274 /nfs/dbraw/zinc/81/12/74/560811274.db2.gz CDTKGGWEIDKPCL-GHNGSUTGSA-N -1 0 417.446 4.219 50 30 HIEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1 ZINC000102492991 560812272 /nfs/dbraw/zinc/81/22/72/560812272.db2.gz HMPAXDPLTSFSIX-GROYHEBESA-N -1 0 406.265 4.062 50 30 HIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@@H]2c2ccc(Cl)cc2)no1 ZINC000102804051 560826845 /nfs/dbraw/zinc/82/68/45/560826845.db2.gz GYPKJIZLCZEMQS-UYTDBDHRSA-N -1 0 400.843 4.324 50 30 HIEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nccs3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000102798992 560828201 /nfs/dbraw/zinc/82/82/01/560828201.db2.gz VJQWJYGJIVJGNI-SELCWUDQSA-N -1 0 424.453 4.307 50 30 HIEARM O=[N+]([O-])c1cc(OC(F)(F)C(F)(F)F)c([O-])c(OC(F)(F)C(F)(F)F)c1 ZINC000095676297 568643460 /nfs/dbraw/zinc/64/34/60/568643460.db2.gz DEOKUSPOZQDNNK-UHFFFAOYSA-N -1 0 407.116 4.368 50 30 HIEARM O=C([O-])CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000006813697 569137255 /nfs/dbraw/zinc/13/72/55/569137255.db2.gz VWRLAAZJVZLCPW-FQEVSTJZSA-N -1 0 411.429 4.049 50 30 HIEARM O=C([O-])c1ccc([C@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccco2)C4=O)cc1 ZINC000253413521 569366874 /nfs/dbraw/zinc/36/68/74/569366874.db2.gz UZRXDTHQMOVQJP-LTKMBJGESA-N -1 0 402.358 4.035 50 30 HIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@H]2c2cccc(Cl)c2)no1 ZINC000008556476 571080452 /nfs/dbraw/zinc/08/04/52/571080452.db2.gz ZZCRSWXTUFEWER-MRXNPFEDSA-N -1 0 400.843 4.481 50 30 HIEARM COc1ccc(-c2nc(NCc3ccc(OC(F)(F)F)cc3)[n-]c(=O)c2C#N)cc1 ZINC000040130037 571182134 /nfs/dbraw/zinc/18/21/34/571182134.db2.gz JXMOFHYPJJJSEU-UHFFFAOYSA-N -1 0 416.359 4.240 50 30 HIEARM Cc1csc(C(C#N)=C([O-])COC(=O)C=Cc2ccc(-c3ccccc3F)o2)n1 ZINC000007780412 845411426 /nfs/dbraw/zinc/41/14/26/845411426.db2.gz UKQIYSXJINQZDP-MNDMWVCDSA-N -1 0 410.426 4.284 50 30 HIEARM O=C(C=Cc1ccc2c(c1)OCCO2)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000084451623 852545168 /nfs/dbraw/zinc/54/51/68/852545168.db2.gz DHIPPOTWXZJGGC-DUXPYHPUSA-N -1 0 420.295 4.185 50 30 HIEARM Cc1ccccc1-n1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c(-c2ccccc2)n1 ZINC000105328983 852699108 /nfs/dbraw/zinc/69/91/08/852699108.db2.gz CXWYBTCPRCXKBD-WHIOSMTNSA-N -1 0 412.445 4.076 50 30 HIEARM CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1ccc(OCC(=O)[O-])cc1)OCO3 ZINC000018197508 520260873 /nfs/dbraw/zinc/26/08/73/520260873.db2.gz RRRGSXXYNZRUTE-JOCHJYFZSA-N -1 0 421.449 4.079 50 30 HIEARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccccc1[N+](=O)[O-] ZINC000100149508 520898705 /nfs/dbraw/zinc/89/87/05/520898705.db2.gz BOXVVCMLUWZEPU-PTGBLXJZSA-N -1 0 420.454 4.217 50 30 HIEARM COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccc(F)cc4)c3=O)n2)cc1 ZINC000100341560 523164024 /nfs/dbraw/zinc/16/40/24/523164024.db2.gz RFCZADKGBFWRRQ-HKOYGPOVSA-N -1 0 409.446 4.148 50 30 HIEARM CN1C(=O)/C(=C/c2ccc(OCC(=O)[O-])cc2)S/C1=N/c1ccc(Cl)cc1 ZINC000103710483 523675608 /nfs/dbraw/zinc/67/56/08/523675608.db2.gz FRIVFWHKQVVIPD-PMDYYOJLSA-N -1 0 402.859 4.037 50 30 HIEARM COc1ccc(Cn2nc(C)c(/C=C3/C[C@H](C(=O)[O-])c4ccccc4C3=O)c2C)cc1 ZINC000328593145 524265063 /nfs/dbraw/zinc/26/50/63/524265063.db2.gz ISEKNJGFXRDUCB-QRKROWPFSA-N -1 0 416.477 4.395 50 30 HIEARM O=C(Nc1cccc(C(F)(F)F)c1)C(=N[O-])C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001410201 527329875 /nfs/dbraw/zinc/32/98/75/527329875.db2.gz OMANVIOVQZLJSL-UHFFFAOYSA-N -1 0 419.281 4.132 50 30 HIEARM Cc1cccc(/N=C2\NC(=O)/C(=C/c3cccn3-c3cccc(C(=O)[O-])c3)S2)c1 ZINC000004687973 557581445 /nfs/dbraw/zinc/58/14/45/557581445.db2.gz WDSVCCCOMZYELL-UYRXBGFRSA-N -1 0 403.463 4.376 50 30 HIEARM Cc1cccc2c1nc1[n-]c(NN=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)nnc2-1 ZINC000004750829 557592908 /nfs/dbraw/zinc/59/29/08/557592908.db2.gz DCSUBWOMRNKPCO-JJFYIABZSA-N -1 0 413.397 4.429 50 30 HIEARM COc1ccccc1N=Nc1c(C)[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c1=O ZINC000005942530 557681877 /nfs/dbraw/zinc/68/18/77/557681877.db2.gz GYEBWIHWFGIGJC-CLCOLTQESA-N -1 0 405.483 4.318 50 30 HIEARM Cn1nc(C(=O)[N-]c2c(F)c(F)c(Br)c(F)c2F)cc1C(F)(F)F ZINC000002779115 557761541 /nfs/dbraw/zinc/76/15/41/557761541.db2.gz VPBKAFATIQSHIE-UHFFFAOYSA-N -1 0 420.082 4.010 50 30 HIEARM COc1ccc(C=Nn2c(=S)[n-]nc2C(F)F)cc1COc1ccccc1C ZINC000002792597 557764607 /nfs/dbraw/zinc/76/46/07/557764607.db2.gz UOZLMMRECPUCJF-LSHDLFTRSA-N -1 0 404.442 4.283 50 30 HIEARM CN1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000009305571 557835950 /nfs/dbraw/zinc/83/59/50/557835950.db2.gz SIUIENXHQWSOPH-JUDSMDKYSA-N -1 0 417.830 4.180 50 30 HIEARM O=C1C(=O)N(c2nncs2)[C@@H](c2ccccc2Cl)C1=C([O-])c1cccs1 ZINC000009763858 557849646 /nfs/dbraw/zinc/84/96/46/557849646.db2.gz NSVIYOLSCQEYNS-ZDUSSCGKSA-N -1 0 403.872 4.036 50 30 HIEARM O=C1C(=O)N(c2nncs2)[C@H](c2ccccc2Cl)C1=C([O-])c1cccs1 ZINC000009763857 557849653 /nfs/dbraw/zinc/84/96/53/557849653.db2.gz NSVIYOLSCQEYNS-CYBMUJFWSA-N -1 0 403.872 4.036 50 30 HIEARM CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@@H]2c1cc([N+](=O)[O-])ccc1[O-] ZINC000019461091 558893555 /nfs/dbraw/zinc/89/35/55/558893555.db2.gz JTUUCCVYIDSCRW-TZIWHRDSSA-N -1 0 416.433 4.343 50 30 HIEARM COc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(SCC(=O)[O-])n2)cc1 ZINC000004645078 558984287 /nfs/dbraw/zinc/98/42/87/558984287.db2.gz LFDKCBKXTWMOPN-UHFFFAOYSA-N -1 0 406.463 4.481 50 30 HIEARM Cc1noc([N-]S(=O)(=O)c2ccc(NC=CC(=O)c3ccc(F)cc3)cc2)c1C ZINC000100802756 559140992 /nfs/dbraw/zinc/14/09/92/559140992.db2.gz YVTROUKQHMBWRO-QXMHVHEDSA-N -1 0 415.446 4.040 50 30 HIEARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@H](c1ccc(Br)cc1)C(C#N)C#N ZINC000100557898 559226258 /nfs/dbraw/zinc/22/62/58/559226258.db2.gz XREZHCRBWZQGBU-RTBURBONSA-N -1 0 407.271 4.235 50 30 HIEARM Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OCC(=O)[O-])c(Cl)c3)S2)cc1C ZINC000005532350 560606073 /nfs/dbraw/zinc/60/60/73/560606073.db2.gz DAZDDTYBSUWSBA-MFOYZWKCSA-N -1 0 416.886 4.312 50 30 HIEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@H]2c2cccc3ccccc32)s1 ZINC000102437950 560811226 /nfs/dbraw/zinc/81/12/26/560811226.db2.gz CDTKGGWEIDKPCL-SELCWUDQSA-N -1 0 417.446 4.219 50 30 HIEARM COc1cccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Cl)c2)c1 ZINC000102723194 560821544 /nfs/dbraw/zinc/82/15/44/560821544.db2.gz NZBALOZENFAYOM-LFVOPCPISA-N -1 0 424.840 4.271 50 30 HIEARM CCOc1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000102725856 560821661 /nfs/dbraw/zinc/82/16/61/560821661.db2.gz VOCWVNDDXDGXRT-SELCWUDQSA-N -1 0 410.451 4.070 50 30 HIEARM CC(C)c1nnc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@H]2c2cccs2)s1 ZINC000102740463 560824965 /nfs/dbraw/zinc/82/49/65/560824965.db2.gz AXTPTFBQJLNBII-MNWMYKRDSA-N -1 0 417.537 4.411 50 30 HIEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102804711 560826941 /nfs/dbraw/zinc/82/69/41/560826941.db2.gz AELFMOCXHTXKSY-LFVOPCPISA-N -1 0 424.840 4.271 50 30 HIEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(F)cc2)cc1C ZINC000102805400 560827177 /nfs/dbraw/zinc/82/71/77/560827177.db2.gz VTTJVFBBZNGIMP-YDJIHCHBSA-N -1 0 422.412 4.065 50 30 HIEARM C=CCOc1ccccc1/C=C1/SC(=S)N([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000002700594 568454613 /nfs/dbraw/zinc/45/46/13/568454613.db2.gz XFSANHVXIRLBRL-KJCUYJGMSA-N -1 0 411.504 4.279 50 30 HIEARM C#C[C@@]1(OC(=O)CCC(=O)[O-])CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004083831 568939497 /nfs/dbraw/zinc/93/94/97/568939497.db2.gz WVQWHYYYWVTTAS-KTEOLQIHSA-N -1 0 412.526 4.298 50 30 biogenic HIEARM COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1ccc(NC(C)=O)cc1 ZINC000015936503 569023538 /nfs/dbraw/zinc/02/35/38/569023538.db2.gz SOBSDLKEBPZSSJ-UHFFFAOYSA-N -1 0 401.444 4.067 50 30 HIEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccccc2OCc2ccccc2)n1 ZINC000006606036 569071247 /nfs/dbraw/zinc/07/12/47/569071247.db2.gz DSPNVHRSLNEFRZ-SFHVURJKSA-N -1 0 406.463 4.064 50 30 HIEARM Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])cc2)cc1 ZINC000006858593 569156481 /nfs/dbraw/zinc/15/64/81/569156481.db2.gz DRYNNGBUJCIXDG-MOPGFXCFSA-N -1 0 416.499 4.275 50 30 HIEARM CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc([O-])c([N+](=O)[O-])c1 ZINC000001140086 569277322 /nfs/dbraw/zinc/27/73/22/569277322.db2.gz JCTYOPFWILPMFS-UHFFFAOYSA-N -1 0 410.470 4.274 50 30 HIEARM Cc1ccc(S(=O)(=O)Nc2ccccc2C=NNc2nc3ccccc3n2C)cc1 ZINC000252640232 569317754 /nfs/dbraw/zinc/31/77/54/569317754.db2.gz YRTASHNVVQDUTR-UHFFFAOYSA-N -1 0 419.510 4.129 50 30 HIEARM CCCCn1c([N-]S(=O)(=O)c2ccc(C)cc2)c(C#N)c2nc3ccccc3nc21 ZINC000002302657 569372232 /nfs/dbraw/zinc/37/22/32/569372232.db2.gz OYIYQKZDDUCNOB-UHFFFAOYSA-N -1 0 419.510 4.366 50 30 HIEARM Cc1ccc(-c2noc(-c3cccc(S(=O)(=O)Nc4cccc(C#N)c4)c3)n2)cc1 ZINC000064747796 571046927 /nfs/dbraw/zinc/04/69/27/571046927.db2.gz YRACDPKJLSPUAY-UHFFFAOYSA-N -1 0 416.462 4.385 50 30 HIEARM Cn1c2ccccc2nc1C(C#N)=C(NS(=O)(=O)c1cccs1)c1ccccc1 ZINC000058161753 850775963 /nfs/dbraw/zinc/77/59/63/850775963.db2.gz ALZRXBMWITZQOA-GFDWPABASA-N -1 0 420.519 4.120 50 30 HIEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccccc2)s1 ZINC000005491020 557657356 /nfs/dbraw/zinc/65/73/56/557657356.db2.gz IWNHQAOAVRCENC-INIZCTEOSA-N -1 0 411.870 4.283 50 30 HIEARM CCOC(=O)c1ccc(N=Nc2c(=O)n(-c3ccccc3)[n-]c2-c2ccccc2)cc1 ZINC000006599823 557709704 /nfs/dbraw/zinc/70/97/04/557709704.db2.gz LCUJZMQRZJYNML-ROMGYVFFSA-N -1 0 412.449 4.082 50 30 HIEARM Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCC(=O)[O-])[C@H]2c2ccc(Cl)cc2)cc1 ZINC000019923071 558307323 /nfs/dbraw/zinc/30/73/23/558307323.db2.gz FWCDBZHIJXTCSQ-IBGZPJMESA-N -1 0 413.857 4.092 50 30 HIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@@H]2c2ccc(Cl)cc2)no1 ZINC000008996503 558457530 /nfs/dbraw/zinc/45/75/30/558457530.db2.gz CGWURMMFSNXJPY-INIZCTEOSA-N -1 0 400.843 4.481 50 30 HIEARM O=C([O-])CCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc(F)c1 ZINC000013081133 558512452 /nfs/dbraw/zinc/51/24/52/558512452.db2.gz PLRVRWMCIGVFSG-HXUWFJFHSA-N -1 0 411.429 4.049 50 30 HIEARM CC1(C)CC(=O)C(C(c2ccc(C(=O)[O-])cc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000018028798 558829791 /nfs/dbraw/zinc/82/97/91/558829791.db2.gz SYSSPANGDJLVAN-LJQANCHMSA-N -1 0 412.482 4.244 50 30 HIEARM C[C@H]([N-]C(=O)[C@](F)(N(C(F)(F)F)C(F)(F)F)C(F)(F)F)c1ccccc1 ZINC000100556835 559136505 /nfs/dbraw/zinc/13/65/05/559136505.db2.gz NZDSYEQKTLSCHK-XVKPBYJWSA-N -1 0 400.216 4.434 50 30 HIEARM CCOC(=O)c1csc(N=Cc2c(C)[n-]n(-c3ccc(C)c(C)c3)c2=O)c1C#N ZINC000101141491 560788394 /nfs/dbraw/zinc/78/83/94/560788394.db2.gz XMMSYZDCFRQHMN-LICLKQGHSA-N -1 0 408.483 4.132 50 30 HIEARM C=CCn1c(=O)c(-c2nc(-c3ccccc3Br)no2)c([O-])c2ccccc21 ZINC000101231581 560789389 /nfs/dbraw/zinc/78/93/89/560789389.db2.gz HDOCAQMUISNRFH-UHFFFAOYSA-N -1 0 424.254 4.373 50 30 HIEARM C=CCN1C(=O)C(=O)C(=C([O-])c2ccc(C)cc2)[C@H]1c1ccc(Br)cc1 ZINC000101231668 560789396 /nfs/dbraw/zinc/78/93/96/560789396.db2.gz YKXXRLDJDNAROH-SELCWUDQSA-N -1 0 412.283 4.365 50 30 HIEARM O=C1C(=O)N(Cc2cccnc2)[C@H](c2cccc(F)c2)C1=C([O-])c1ccc(Cl)cc1 ZINC000102649872 560818972 /nfs/dbraw/zinc/81/89/72/560818972.db2.gz CQIAXOFIJQJBDT-YDJIHCHBSA-N -1 0 422.843 4.496 50 30 HIEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000102804921 560827009 /nfs/dbraw/zinc/82/70/09/560827009.db2.gz LNZSTZFHEXYMOV-YDJIHCHBSA-N -1 0 422.412 4.147 50 30 HIEARM O=C([O-])c1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2F)c1 ZINC000102878027 560833342 /nfs/dbraw/zinc/83/33/42/560833342.db2.gz UBTNXCWBQRHOMO-YDJIHCHBSA-N -1 0 417.392 4.150 50 30 HIEARM Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(O)cc2)sc1C ZINC000102882258 560833969 /nfs/dbraw/zinc/83/39/69/560833969.db2.gz OBXQCCZEOBFNBV-GHNGSUTGSA-N -1 0 406.463 4.092 50 30 HIEARM C=CCn1c(COc2ccc3c(c2)c(C(=O)[O-])c(C)n3Cc2ccco2)n[nH]c1=S ZINC000253599063 568922550 /nfs/dbraw/zinc/92/25/50/568922550.db2.gz KLFWZRWENQICTO-UHFFFAOYSA-N -1 0 424.482 4.308 50 30 HIEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc3c(s2)-c2ccccc2OC3)n1 ZINC000006606110 569071268 /nfs/dbraw/zinc/07/12/68/569071268.db2.gz MMPBPQAQRLFWFE-CQSZACIVSA-N -1 0 410.476 4.106 50 30 HIEARM CCOC(=O)c1c2c(sc1NC(C)=O)C(=NO)[C@H](Sc1ccccc1)CC2 ZINC000252611903 569300435 /nfs/dbraw/zinc/30/04/35/569300435.db2.gz IOEXOESFPUIGLA-CQSZACIVSA-N -1 0 404.513 4.169 50 30 HIEARM O=c1c(N=Nc2ccc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)[n-]n1-c1ccccc1 ZINC000252620434 569304333 /nfs/dbraw/zinc/30/43/33/569304333.db2.gz MEEXSNODCYUPOE-UHFFFAOYSA-N -1 0 419.828 4.467 50 30 HIEARM CC(=O)Nc1ccc(-c2oc(/C=N/[O-])c([N+](=O)[O-])c2-c2ccc(NC(C)=O)cc2)cc1 ZINC000048547712 569363486 /nfs/dbraw/zinc/36/34/86/569363486.db2.gz GYVWNGCVWCJVFG-SSDVNMTOSA-N -1 0 422.397 4.247 50 30 HIEARM N#Cc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000000622062 569383837 /nfs/dbraw/zinc/38/38/37/569383837.db2.gz JOPKKUTWCGYCDA-QHCPKHFHSA-N -1 0 412.445 4.093 50 30 HIEARM CCOC(=O)NC([N-]c1sc(C)c(CC)c1C#N)(C(F)(F)F)C(F)(F)F ZINC000002355838 569385318 /nfs/dbraw/zinc/38/53/18/569385318.db2.gz BJXZUFUSQZBOQK-UHFFFAOYSA-N -1 0 403.348 4.470 50 30 HIEARM Cc1c(Cl)cccc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c(C#N)c(=O)[n-]1 ZINC000009042051 571214974 /nfs/dbraw/zinc/21/49/74/571214974.db2.gz GHAQMWDXMMDIPG-CYBMUJFWSA-N -1 0 424.913 4.390 50 30 HIEARM CSc1nnc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@H]2c2ccccc2)s1 ZINC000009187339 571235203 /nfs/dbraw/zinc/23/52/03/571235203.db2.gz WHPLRZOLEVFCFE-CYBMUJFWSA-N -1 0 415.521 4.104 50 30 HIEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc(-c3cccc(Br)c3)s2)C(=O)O1 ZINC000102500422 852664947 /nfs/dbraw/zinc/66/49/47/852664947.db2.gz DIVNLISLGNQJOO-FZMUQLTDSA-N -1 0 417.280 4.406 50 30 HIEARM O=S(=O)(Nc1ccc(N=Cc2ccccc2O)cc1)c1ccc2c(c1)OCCCO2 ZINC000254874607 854216010 /nfs/dbraw/zinc/21/60/10/854216010.db2.gz NJHUHPUGKOWQPD-UHFFFAOYSA-N -1 0 424.478 4.105 50 30 HIEARM C=CCc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)cc(OC)c1O ZINC000034221892 519126899 /nfs/dbraw/zinc/12/68/99/519126899.db2.gz FAZKXSNLENPQGK-BOPFTXTBSA-N -1 0 422.506 4.418 50 30 HIEARM CCOC(=O)c1ccc(-c2ccc(/C=C/C(=O)c3ccc(OCC(=O)[O-])cc3)o2)cc1 ZINC000012689182 521459036 /nfs/dbraw/zinc/45/90/36/521459036.db2.gz PRTZUMRLYDQPEQ-ACCUITESSA-N -1 0 420.417 4.483 50 30 HIEARM COc1cc(C=Nn2c(=S)[n-]nc2C2CCCCC2)cc(Br)c1O ZINC000001282666 522009395 /nfs/dbraw/zinc/00/93/95/522009395.db2.gz UTOLQRVJNWFUSN-NVMNQCDNSA-N -1 0 411.325 4.347 50 30 HIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2cccs2)no1 ZINC000102804276 525045654 /nfs/dbraw/zinc/04/56/54/525045654.db2.gz WXIQSQGZKMOHDF-IBOXJLQUSA-N -1 0 400.843 4.324 50 30 HIEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2sc3cc(F)ccc3c2Cl)n1 ZINC000007653458 526427053 /nfs/dbraw/zinc/42/70/53/526427053.db2.gz UFWJXKRQQRFELL-LLVKDONJSA-N -1 0 408.863 4.492 50 30 HIEARM COc1cc(C=Nn2c(=S)[n-]nc2C(F)(F)F)ccc1OCc1ccccc1 ZINC000001137834 557202064 /nfs/dbraw/zinc/20/20/64/557202064.db2.gz GISAVJITTVUZRV-LSHDLFTRSA-N -1 0 408.405 4.055 50 30 HIEARM O=C1C(=O)N(c2ncccn2)[C@H](c2ccc(Cl)c(Cl)c2)C1=C([O-])c1ccco1 ZINC000001155465 557213741 /nfs/dbraw/zinc/21/37/41/557213741.db2.gz NKGGHGSTFRZLCN-OAHLLOKOSA-N -1 0 416.220 4.159 50 30 HIEARM O=C([O-])CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000004952183 557616566 /nfs/dbraw/zinc/61/65/66/557616566.db2.gz DJZQVGGBQWXXSS-FQEVSTJZSA-N -1 0 411.429 4.049 50 30 HIEARM O=C([O-])[C@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccc(OC(F)(F)F)cc2)S1 ZINC000012376495 558392084 /nfs/dbraw/zinc/39/20/84/558392084.db2.gz WNDPOWHXYVZJNT-VKWHMPGMSA-N -1 0 424.400 4.192 50 30 HIEARM C=CCN1C(=O)[N-]C(=O)/C(=C/c2ccc(OCc3cccc4ccccc43)cc2)C1=O ZINC000004512554 558627637 /nfs/dbraw/zinc/62/76/37/558627637.db2.gz VFBOSKAMQYEQDM-JCMHNJIXSA-N -1 0 412.445 4.067 50 30 HIEARM O=C([O-])CCCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccccc1F ZINC000004576430 558753487 /nfs/dbraw/zinc/75/34/87/558753487.db2.gz VFKAPXIWWUWBPC-SFHVURJKSA-N -1 0 417.458 4.111 50 30 HIEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(F)cc2)cc1C ZINC000013569444 558844333 /nfs/dbraw/zinc/84/43/33/558844333.db2.gz FBFOQXFDHJGAOE-HXUWFJFHSA-N -1 0 422.412 4.222 50 30 HIEARM C=CCn1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000004703298 558912943 /nfs/dbraw/zinc/91/29/43/558912943.db2.gz JKKCKDBGPCYAOJ-LDADJPATSA-N -1 0 405.841 4.147 50 30 HIEARM C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(NC(=O)C(C)C)cc3)cc2[n-]c1=S ZINC000011716394 559254836 /nfs/dbraw/zinc/25/48/36/559254836.db2.gz MZAUSOSNVZFAGW-UHFFFAOYSA-N -1 0 422.510 4.092 50 30 HIEARM C=CCn1c(CN2c3ccccc3Sc3ccccc32)nnc1SCC(=O)[O-] ZINC000002578054 559276797 /nfs/dbraw/zinc/27/67/97/559276797.db2.gz YBMFSLVLUCWNSP-UHFFFAOYSA-N -1 0 410.524 4.444 50 30 HIEARM CCc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c(C#N)c(=O)[n-]1 ZINC000005238250 560548607 /nfs/dbraw/zinc/54/86/07/560548607.db2.gz HGYLHPJDYGXVGS-OAHLLOKOSA-N -1 0 418.522 4.299 50 30 HIEARM COc1cc(-n2[n-]c(C)c(C=Nc3sc4c(c3C#N)CCC4)c2=O)ccc1Cl ZINC000101128472 560788306 /nfs/dbraw/zinc/78/83/06/560788306.db2.gz IZDHMYUAUXKRLF-XNTDXEJSSA-N -1 0 412.902 4.489 50 30 HIEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000102874138 560830443 /nfs/dbraw/zinc/83/04/43/560830443.db2.gz SIOVVQCRQGUEPH-HVESIFNPSA-N -1 0 406.265 4.062 50 30 HIEARM Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(O)cc2)sc1C ZINC000102882640 560833984 /nfs/dbraw/zinc/83/39/84/560833984.db2.gz JKLBLRYMZKAIPK-IBOXJLQUSA-N -1 0 412.492 4.153 50 30 HIEARM COC(=O)C1=C(Nc2ccc(Cl)cc2)SC(=Cc2ccc(OC)cc2O)C1=O ZINC000103311318 560840784 /nfs/dbraw/zinc/84/07/84/560840784.db2.gz CVUAXHMJYULWFL-CXUHLZMHSA-N -1 0 417.870 4.208 50 30 HIEARM Fc1ccc(OCc2ccc(C=Nn3c(=S)[n-]nc3C(F)F)o2)c(Cl)c1 ZINC000002790301 568809556 /nfs/dbraw/zinc/80/95/56/568809556.db2.gz VOGYUGFNXMOPAQ-CGOBSMCZSA-N -1 0 402.785 4.351 50 30 HIEARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2oc3c(cccc3Cl)c2C)cc1 ZINC000003356552 568886933 /nfs/dbraw/zinc/88/69/33/568886933.db2.gz OEPSVPAUSWCLQX-UHFFFAOYSA-N -1 0 406.847 4.312 50 30 HIEARM C=C(C)CN(C)C(=O)c1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[n-]c1=O ZINC000215589378 568916605 /nfs/dbraw/zinc/91/66/05/568916605.db2.gz IVWDGFBNXWLRGK-UHFFFAOYSA-N -1 0 419.325 4.123 50 30 HIEARM C=CCOc1ccc(/C=C2\SC(=S)N([C@@H](C(=O)[O-])c3ccccc3)C2=O)cc1 ZINC000001815656 569056103 /nfs/dbraw/zinc/05/61/03/569056103.db2.gz MAXDARDKZCEYFF-MTMYEVCSSA-N -1 0 411.504 4.279 50 30 HIEARM N#Cc1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CC[C@H](c1ccccc1)C2 ZINC000017087397 569272931 /nfs/dbraw/zinc/27/29/31/569272931.db2.gz JWNVSQZZZYZRNF-JQHSSLGASA-N -1 0 406.507 4.498 50 30 HIEARM CCOc1cccc(-c2n[n-]c(=S)n2N=Cc2cc(Br)ccc2O)c1 ZINC000001246122 569282373 /nfs/dbraw/zinc/28/23/73/569282373.db2.gz ABSGYRXSWQWTDZ-VXLYETTFSA-N -1 0 419.304 4.357 50 30 HIEARM COc1ccc(Cl)cc1/C=C1/SC(=Nc2ccc(C(=O)[O-])cc2)N(C)C1=O ZINC000252622323 569307978 /nfs/dbraw/zinc/30/79/78/569307978.db2.gz NSPPTAWOGWRBCU-NIHZCWFLSA-N -1 0 402.859 4.281 50 30 HIEARM O=C([O-])c1ccc([C@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccccc2)C4=O)cc1 ZINC000253402304 569365755 /nfs/dbraw/zinc/36/57/55/569365755.db2.gz GGAJEMHHNRPRLX-BDBXIWDTSA-N -1 0 412.397 4.442 50 30 HIEARM O=C([O-])c1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccco2)C4=O)cc1 ZINC000253413522 569366875 /nfs/dbraw/zinc/36/68/75/569366875.db2.gz UZRXDTHQMOVQJP-PMFHANACSA-N -1 0 402.358 4.035 50 30 HIEARM N#Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccccc1C(F)(F)F ZINC000328594598 569415927 /nfs/dbraw/zinc/41/59/27/569415927.db2.gz XMAUMEMWMJYGGY-UHFFFAOYSA-N -1 0 405.195 4.140 50 30 HIEARM O=C([O-])C(=O)/C(=C/c1ccc(Br)cc1F)c1ccc2ccccc2n1 ZINC000057826138 850725867 /nfs/dbraw/zinc/72/58/67/850725867.db2.gz VQRKNCQCIZECFP-NTEUORMPSA-N -1 0 400.203 4.331 50 30 HIEARM O=C([N-]C1CCCCC1)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000068576221 852366500 /nfs/dbraw/zinc/36/65/00/852366500.db2.gz JSBOYUSPHDWSMS-MRVPVSSYSA-N -1 0 411.211 4.470 50 30 HIEARM CCOC[C@H](C)CS(=O)(=O)[N-]c1ccccc1C(=O)N[C@H](C)c1ccccc1 ZINC000328595772 520135249 /nfs/dbraw/zinc/13/52/49/520135249.db2.gz DYWZNTRVIKPWOK-DLBZAZTESA-N -1 0 404.532 4.167 50 30 HIEARM COc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)cc1CSc1ncccn1 ZINC000007006953 523538771 /nfs/dbraw/zinc/53/87/71/523538771.db2.gz WYRARKGPXJUABK-WEVVVXLNSA-N -1 0 406.463 4.372 50 30 HIEARM CN1C(=O)/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000101026644 523674277 /nfs/dbraw/zinc/67/42/77/523674277.db2.gz SIUIENXHQWSOPH-HNDCDSQRSA-N -1 0 417.830 4.180 50 30 HIEARM COc1ccc(OC)c(N=Nc2c(C)[n-]n(-c3nc(-c4ccccc4)cs3)c2=O)c1 ZINC000100006044 524842846 /nfs/dbraw/zinc/84/28/46/524842846.db2.gz WRSIILFFHXFDDA-LYBHJNIJSA-N -1 0 421.482 4.018 50 30 HIEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc(-c3ccco3)nc3ccccc32)n1 ZINC000009244724 526400351 /nfs/dbraw/zinc/40/03/51/526400351.db2.gz HAXBZYPDPNNMMR-INIZCTEOSA-N -1 0 417.446 4.293 50 30 HIEARM O=C([O-])CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000009379640 527590330 /nfs/dbraw/zinc/59/03/30/527590330.db2.gz UPOPKYRPTKBCSX-QGZVFWFLSA-N -1 0 420.248 4.046 50 30 HIEARM [O-]c1c(Br)cc(Br)cc1C=NN=c1[nH]c2ccccc2[nH]1 ZINC000004531855 557564195 /nfs/dbraw/zinc/56/41/95/557564195.db2.gz GZJNJERKZOBKPS-REZTVBANSA-N -1 0 410.069 4.240 50 30 HIEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccccc2)s1 ZINC000005491017 557657274 /nfs/dbraw/zinc/65/72/74/557657274.db2.gz IWNHQAOAVRCENC-MRXNPFEDSA-N -1 0 411.870 4.283 50 30 HIEARM COc1cccc(-c2n[n-]c(=S)n2N=Cc2cc(Br)ccc2F)c1 ZINC000006007341 557684105 /nfs/dbraw/zinc/68/41/05/557684105.db2.gz DKKYBPWEHUUUPA-DJKKODMXSA-N -1 0 407.268 4.400 50 30 HIEARM Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCC(=O)[O-])[C@H]2c2ccccc2Cl)cc1 ZINC000019898764 558304652 /nfs/dbraw/zinc/30/46/52/558304652.db2.gz RUZQLMJSOMZAKI-IBGZPJMESA-N -1 0 413.857 4.092 50 30 HIEARM O=C([O-])c1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2F)c1 ZINC000008922946 558363216 /nfs/dbraw/zinc/36/32/16/558363216.db2.gz WSAXDFDXEWEERN-HXUWFJFHSA-N -1 0 417.392 4.307 50 30 HIEARM O=C([O-])c1cccc(N2C(=O)C(=O)C(=C(O)C3CC3)[C@@H]2c2ccc3ccccc3c2)c1 ZINC000013275986 558528385 /nfs/dbraw/zinc/52/83/85/558528385.db2.gz VRVCILYMDDKZBE-NRFANRHFSA-N -1 0 413.429 4.417 50 30 HIEARM N#Cc1ccc(-c2nc(-c3ccc([N-]S(=O)(=O)c4cccs4)cc3)no2)cc1 ZINC000033122883 558879686 /nfs/dbraw/zinc/87/96/86/558879686.db2.gz IWYUEEITEOXNAO-UHFFFAOYSA-N -1 0 408.464 4.138 50 30 HIEARM N#Cc1c(=O)[n-]c(SCC(=O)Nc2cccc3ccccc32)nc1-c1ccccc1 ZINC000005095379 559244971 /nfs/dbraw/zinc/24/49/71/559244971.db2.gz FLJPLYHXEYXFTH-UHFFFAOYSA-N -1 0 412.474 4.193 50 30 HIEARM Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)c(C#N)c(=O)[n-]2)c(C)c1 ZINC000005238248 560548611 /nfs/dbraw/zinc/54/86/11/560548611.db2.gz CTLZVHMWXYZHMT-MRXNPFEDSA-N -1 0 418.522 4.353 50 30 HIEARM CO/N=C1\C[C@H](C)Cc2c1cc(-c1ccc(Br)cc1)n2CCC(=O)[O-] ZINC000005355995 560569412 /nfs/dbraw/zinc/56/94/12/560569412.db2.gz NQZDPOXJFOWULA-UGVXJAHZSA-N -1 0 405.292 4.325 50 30 HIEARM CC(O)=C1C(=O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000101152671 560787011 /nfs/dbraw/zinc/78/70/11/560787011.db2.gz NAABOMQSKBTHPE-DDITZMBXSA-N -1 0 406.316 4.103 50 30 HIEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000102895533 560833267 /nfs/dbraw/zinc/83/32/67/560833267.db2.gz GFGUYFJNQANISH-LFVOPCPISA-N -1 0 424.840 4.271 50 30 HIEARM Cc1nc(-c2ccc(Cl)cc2)sc1/C(CS(=O)(=O)c1ccccc1)=N\[O-] ZINC000005749366 560869579 /nfs/dbraw/zinc/86/95/79/560869579.db2.gz AZKXJPNLKNCEJE-PGMHBOJBSA-N -1 0 406.916 4.424 50 30 HIEARM Cc1c(C#N)c2nc3ccccc3n2c(=O)c1=CNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000003026251 568841448 /nfs/dbraw/zinc/84/14/48/568841448.db2.gz QJKONVOHNUZQJS-YSURURNPSA-N -1 0 404.813 4.475 50 30 HIEARM COC(=O)C[C@@H](c1ccc(OC)c2ccccc21)C1=C([O-])c2ccccc2C(=O)C1=O ZINC000217824317 568914763 /nfs/dbraw/zinc/91/47/63/568914763.db2.gz MKFJLSFYQMWIOZ-IBGZPJMESA-N -1 0 416.429 4.386 50 30 HIEARM C=C(C)COc1ccc([C@@H](CC(=O)OC)C2=C([O-])c3ccccc3C(=O)C2=O)cc1 ZINC000217933085 568920314 /nfs/dbraw/zinc/92/03/14/568920314.db2.gz HEFSHJXTMXQXQF-LJQANCHMSA-N -1 0 406.434 4.180 50 30 HIEARM N#Cc1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CC[C@@H](c1ccccc1)C2 ZINC000035897874 569065111 /nfs/dbraw/zinc/06/51/11/569065111.db2.gz JWNVSQZZZYZRNF-NXHRZFHOSA-N -1 0 406.507 4.498 50 30 HIEARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2ccc(C#N)cc2)CC(=O)N3)cc1 ZINC000064797234 569096460 /nfs/dbraw/zinc/09/64/60/569096460.db2.gz SXTNHBYKTJZOGJ-MRXNPFEDSA-N -1 0 404.447 4.468 50 30 HIEARM CCOc1cc(C(=O)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1OC ZINC000089990984 569271133 /nfs/dbraw/zinc/27/11/33/569271133.db2.gz PLJZEKOWORSYGA-UHFFFAOYSA-N -1 0 404.271 4.094 50 30 HIEARM N#CCCn1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)c(-c2cc3ccccc3o2)n1 ZINC000003415880 569278521 /nfs/dbraw/zinc/27/85/21/569278521.db2.gz QGDOFSVCQZHVGT-UHFFFAOYSA-N -1 0 400.394 4.160 50 30 HIEARM O=c1c(N=Nc2ccccc2Cl)c(-c2ccccc2)[n-]n1-c1ccc([N+](=O)[O-])cc1 ZINC000252463218 569287003 /nfs/dbraw/zinc/28/70/03/569287003.db2.gz ZSOTXDDLBFIYGW-UHFFFAOYSA-N -1 0 419.828 4.467 50 30 HIEARM CN1C(=O)/C(=C/c2ccc(OCC(=O)[O-])cc2)SC1=Nc1ccc(Cl)cc1 ZINC000252603450 569297237 /nfs/dbraw/zinc/29/72/37/569297237.db2.gz FRIVFWHKQVVIPD-NOPVENIWSA-N -1 0 402.859 4.037 50 30 HIEARM CCCCOc1ccc(/C=N/n2c([O-])nc3c4cc(Cl)ccc4[nH]c3c2=O)cc1 ZINC000008768959 571116351 /nfs/dbraw/zinc/11/63/51/571116351.db2.gz YHZMWWYWCAHIPT-FSJBWODESA-N -1 0 410.861 4.298 50 30 HIEARM C=CCOc1ccc([C@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000008827561 571122416 /nfs/dbraw/zinc/12/24/16/571122416.db2.gz YOIUGFHYRTXMDK-FQEVSTJZSA-N -1 0 420.421 4.232 50 30 HIEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2F)cc1C ZINC000009312377 571247203 /nfs/dbraw/zinc/24/72/03/571247203.db2.gz WJDCDIDPCJWNCC-HXUWFJFHSA-N -1 0 422.412 4.222 50 30 HIEARM CCOc1cc(/C=C(\C(=O)C(=O)[O-])c2ccc3ccccc3n2)cc(Cl)c1OC ZINC000006623577 845215861 /nfs/dbraw/zinc/21/58/61/845215861.db2.gz GXADMWUXKJARDH-GDNBJRDFSA-N -1 0 411.841 4.490 50 30 HIEARM C[C@@H](Oc1ccc(C(=O)/C=C/c2cc(Cl)c3c(c2)OCCCO3)cc1)C(=O)[O-] ZINC000012852398 845895569 /nfs/dbraw/zinc/89/55/69/845895569.db2.gz YOKJHMVEKRWYGV-ZHAHRWAOSA-N -1 0 402.830 4.249 50 30 HIEARM CNc1ccc(/C=C2\CCc3cc(OC(C)(C)C(=O)[O-])ccc3C2=O)cc1[N+](=O)[O-] ZINC000098055726 852651216 /nfs/dbraw/zinc/65/12/16/852651216.db2.gz LWRYNMRTTVAHJW-XNTDXEJSSA-N -1 0 410.426 4.091 50 30 HIEARM N#Cc1ccc(-c2ccc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)o2)cc1 ZINC000008875113 132333893 /nfs/dbraw/zinc/33/38/93/132333893.db2.gz SWTCDASRLVAPNZ-WQRHYEAKSA-N -1 0 417.808 4.138 50 30 HIEARM Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCC(=O)[O-])[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102501620 525941672 /nfs/dbraw/zinc/94/16/72/525941672.db2.gz IOBIYPPHRAXIKM-HOGKFDNTSA-N -1 0 421.493 4.405 50 30 HIEARM N#Cc1ccc(S(=O)(=O)[N-]C(=O)C2(c3ccccc3)CCC2)cc1C(F)(F)F ZINC000048514112 526678870 /nfs/dbraw/zinc/67/88/70/526678870.db2.gz WGCCYQRSFOOEPW-UHFFFAOYSA-N -1 0 408.401 4.344 50 30 HIEARM O=c1c(N=Nc2ccccc2Cl)c(-c2ccccc2)[n-]n1-c1ccc([N+](=O)[O-])cc1 ZINC000100006193 526947496 /nfs/dbraw/zinc/94/74/96/526947496.db2.gz ZSOTXDDLBFIYGW-HIXSDJFHSA-N -1 0 419.828 4.467 50 30 HIEARM O=C([O-])[C@@H]1C/C(=C/c2cn(-c3ccc(Cl)cc3Cl)nn2)C(=O)c2ccccc21 ZINC000328593136 527658198 /nfs/dbraw/zinc/65/81/98/527658198.db2.gz GSPOSTBXLZEHKH-MRDWYFFCSA-N -1 0 414.248 4.412 50 30 HIEARM CCc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OCC(=O)[O-])c(Cl)c3)S2)cc1 ZINC000004696386 557582438 /nfs/dbraw/zinc/58/24/38/557582438.db2.gz ABNIYDTWWMFBAN-LICLKQGHSA-N -1 0 416.886 4.257 50 30 HIEARM CCOc1ccccc1N=Nc1c(C)[n-]n(-c2nc(-c3ccccc3)cs2)c1=O ZINC000006631357 557711218 /nfs/dbraw/zinc/71/12/18/557711218.db2.gz KOCVKGYKBLJEPK-LYBHJNIJSA-N -1 0 405.483 4.399 50 30 in-vitro HIEARM O=C1C(=O)N(c2nncs2)[C@@H](c2ccc(Cl)cc2)C1=C([O-])c1ccc(F)cc1 ZINC000008899639 557813389 /nfs/dbraw/zinc/81/33/89/557813389.db2.gz CAMYRXMRKQMFAE-HNNXBMFYSA-N -1 0 415.833 4.114 50 30 HIEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@H]2c2cccc3ccccc32)s1 ZINC000009085997 557821878 /nfs/dbraw/zinc/82/18/78/557821878.db2.gz HZVHCVRUAVFONP-GOSISDBHSA-N -1 0 417.446 4.376 50 30 HIEARM CCCOc1cccc(C([O-])=C2C(=O)C(=O)N(c3nccs3)[C@H]2c2cccnc2)c1 ZINC000013470814 558533703 /nfs/dbraw/zinc/53/37/03/558533703.db2.gz GVERFIGASQKERG-SFHVURJKSA-N -1 0 421.478 4.110 50 30 HIEARM C=CCN1C(=O)[C@@H](Cc2cccc(Cl)c2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000018042173 558829872 /nfs/dbraw/zinc/82/98/72/558829872.db2.gz WQKKDQLLTSYNSQ-SLNYWTKHSA-N -1 0 400.887 4.398 50 30 HIEARM Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)[N-]c1cccc(C#N)c1 ZINC000033173751 558901812 /nfs/dbraw/zinc/90/18/12/558901812.db2.gz LEUDHPGSALTCOF-UHFFFAOYSA-N -1 0 413.402 4.403 50 30 HIEARM O=c1c(N=Nc2ccc(Cl)cc2)c(-c2ccccc2)[n-]n1-c1ccc([N+](=O)[O-])cc1 ZINC000101386658 559146759 /nfs/dbraw/zinc/14/67/59/559146759.db2.gz HMOVOCXFZZOEAN-HIXSDJFHSA-N -1 0 419.828 4.467 50 30 HIEARM O=C1C(=O)N(c2ncccn2)[C@H](c2cccc(Cl)c2)C1=C([O-])c1ccc(F)cc1 ZINC000005446476 560588288 /nfs/dbraw/zinc/58/82/88/560588288.db2.gz MNAOKFJCJKUHED-QGZVFWFLSA-N -1 0 409.804 4.052 50 30 HIEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102804713 560826962 /nfs/dbraw/zinc/82/69/62/560826962.db2.gz AELFMOCXHTXKSY-WOOAAIBNSA-N -1 0 424.840 4.271 50 30 HIEARM O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccc(O)cc2)C1=C([O-])c1ccc(Cl)cc1 ZINC000102875036 560830424 /nfs/dbraw/zinc/83/04/24/560830424.db2.gz HBQPFNLKRDMCGG-YDJIHCHBSA-N -1 0 420.852 4.063 50 30 HIEARM N#Cc1cc(C(F)(F)F)ccc1[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000095944085 568662813 /nfs/dbraw/zinc/66/28/13/568662813.db2.gz QZWRVLKKQWIBQL-UHFFFAOYSA-N -1 0 419.306 4.268 50 30 HIEARM N#Cc1c(=O)[n-]c(SCC(=O)c2ccc(Br)cc2)nc1-c1ccco1 ZINC000002502232 568777346 /nfs/dbraw/zinc/77/73/46/568777346.db2.gz DFWGRJJJAJQSBH-UHFFFAOYSA-N -1 0 416.256 4.051 50 30 HIEARM C=CCn1c(C)c(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c2ccccc21 ZINC000004047879 568880361 /nfs/dbraw/zinc/88/03/61/568880361.db2.gz DTQYLPCUVAOISE-KGENOOAVSA-N -1 0 413.477 4.419 50 30 HIEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nncs3)[C@@H]2c2ccccc2Cl)cc1 ZINC000005446252 568907022 /nfs/dbraw/zinc/90/70/22/568907022.db2.gz FAIXUOMSOCHBKZ-MRXNPFEDSA-N -1 0 411.870 4.283 50 30 HIEARM C=CCOc1cccc([C@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nccs2)c1 ZINC000004102876 568942972 /nfs/dbraw/zinc/94/29/72/568942972.db2.gz PYQWDQPEVCAOFG-SFHVURJKSA-N -1 0 422.462 4.392 50 30 HIEARM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)c1 ZINC000089292168 569058135 /nfs/dbraw/zinc/05/81/35/569058135.db2.gz OVNFLRNMCHIYGD-JSGCOSHPSA-N -1 0 413.829 4.270 50 30 HIEARM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)c1 ZINC000089292161 569058163 /nfs/dbraw/zinc/05/81/63/569058163.db2.gz OVNFLRNMCHIYGD-TZMCWYRMSA-N -1 0 413.829 4.270 50 30 HIEARM CCC(=NNS(=O)(=O)Cc1ccc(F)cc1)c1cc(Cl)cc(Cl)c1[O-] ZINC000252474752 569287996 /nfs/dbraw/zinc/28/79/96/569287996.db2.gz LNNTZJWJSQBIGU-UHFFFAOYSA-N -1 0 405.278 4.072 50 30 HIEARM Cc1c(N=Cc2cc([N+](=O)[O-])c3ccccc3c2[O-])c(=O)n(-c2ccccc2)n1C ZINC000252621535 569307644 /nfs/dbraw/zinc/30/76/44/569307644.db2.gz NARAHZCKNREVIY-UHFFFAOYSA-N -1 0 402.410 4.002 50 30 HIEARM COc1cccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000008739600 571110426 /nfs/dbraw/zinc/11/04/26/571110426.db2.gz QGXJUSWVFBGRSX-IBGZPJMESA-N -1 0 424.840 4.428 50 30 HIEARM COc1cccc(C=CC(=O)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1OC ZINC000095350660 852546533 /nfs/dbraw/zinc/54/65/33/852546533.db2.gz JMCHQBGWIITGRE-RMKNXTFCSA-N -1 0 416.282 4.369 50 30 HIEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc(-c3cccc(Br)c3)s2)C(=O)O1 ZINC000104468024 852670041 /nfs/dbraw/zinc/67/00/41/852670041.db2.gz DIVNLISLGNQJOO-LZCIBIBXSA-N -1 0 417.280 4.406 50 30 HIEARM N#Cc1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)o2)cc1 ZINC000009892603 132343929 /nfs/dbraw/zinc/34/39/29/132343929.db2.gz SWTCDASRLVAPNZ-WOJGMQOQSA-N -1 0 417.808 4.138 50 30 HIEARM O=[N+]([O-])c1ccc(NN=Cc2cc(Br)c([O-])c(Br)c2)cc1 ZINC000016310741 527358621 /nfs/dbraw/zinc/35/86/21/527358621.db2.gz HOVQHKCNHLQHOD-FRKPEAEDSA-N -1 0 415.041 4.271 50 30 HIEARM O=C([O-])c1ccc(NC(=NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000004734390 557588801 /nfs/dbraw/zinc/58/88/01/557588801.db2.gz IOUOGVAXDBFUIR-UHFFFAOYSA-N -1 0 414.870 4.286 50 30 HIEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)s1 ZINC000005818322 557676144 /nfs/dbraw/zinc/67/61/44/557676144.db2.gz GNCDVUBONBOQJP-KRWDZBQOSA-N -1 0 409.442 4.077 50 30 HIEARM COc1cc(-c2n[n-]c(=S)n2N=Cc2ccc(SC)cc2)cc(OC)c1OC ZINC000006004612 557683928 /nfs/dbraw/zinc/68/39/28/557683928.db2.gz CAWSFELCBNYGKJ-RGVLZGJSSA-N -1 0 416.528 4.238 50 30 HIEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3cc4ccccc4o3)[C@H]2c2cccs2)s1 ZINC000006460032 557703488 /nfs/dbraw/zinc/70/34/88/557703488.db2.gz DLBXTRPLFPABMA-MRXNPFEDSA-N -1 0 423.475 4.437 50 30 HIEARM COCc1cc(C)nc(N=NCc2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)c1C#N ZINC000008437674 557789154 /nfs/dbraw/zinc/78/91/54/557789154.db2.gz QQCAVQJSVOHHOY-YSURURNPSA-N -1 0 424.844 4.466 50 30 HIEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nccs3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000009333874 557837599 /nfs/dbraw/zinc/83/75/99/557837599.db2.gz LGMFGWATOFZWSB-GOSISDBHSA-N -1 0 424.453 4.464 50 30 HIEARM CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1cc([N+](=O)[O-])ccc1[O-] ZINC000096006239 559089716 /nfs/dbraw/zinc/08/97/16/559089716.db2.gz BPIWXOGOOOPINH-LJQANCHMSA-N -1 0 416.433 4.238 50 30 HIEARM C[C@H](Oc1cccc(C#N)c1)C(=O)[N-]S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000062581617 560632104 /nfs/dbraw/zinc/63/21/04/560632104.db2.gz VESNAUBNXXQRDN-INIZCTEOSA-N -1 0 406.463 4.338 50 30 HIEARM CCOc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000005671645 560773207 /nfs/dbraw/zinc/77/32/07/560773207.db2.gz ROZJSFYIZTWXDD-VXLYETTFSA-N -1 0 403.851 4.450 50 30 HIEARM CCOC(=O)c1sc(N=Cc2c(C)[n-]n(-c3ccccc3C)c2=O)c(C#N)c1C ZINC000101141847 560788504 /nfs/dbraw/zinc/78/85/04/560788504.db2.gz IUZIEBBKZJYJOJ-LFIBNONCSA-N -1 0 408.483 4.132 50 30 HIEARM C=CCN1C(=O)C(=O)C(=C([O-])c2ccc(C)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000101231665 560789370 /nfs/dbraw/zinc/78/93/70/560789370.db2.gz YKXXRLDJDNAROH-GHNGSUTGSA-N -1 0 412.283 4.365 50 30 HIEARM C=CCN1C(=O)C(=O)C(=C([O-])c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000101231621 560789390 /nfs/dbraw/zinc/78/93/90/560789390.db2.gz BJTMYFLDVGOGDS-HVESIFNPSA-N -1 0 416.246 4.196 50 30 HIEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccccc2F)cc1C ZINC000102862929 560832296 /nfs/dbraw/zinc/83/22/96/560832296.db2.gz FBAVNIMYEHAUCI-YDJIHCHBSA-N -1 0 422.412 4.065 50 30 HIEARM CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102885917 560834055 /nfs/dbraw/zinc/83/40/55/560834055.db2.gz BAXJKAFIVDVBIH-JBCNATCCSA-N -1 0 418.449 4.316 50 30 HIEARM COc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2OC)cc1Br ZINC000009011949 568417856 /nfs/dbraw/zinc/41/78/56/568417856.db2.gz ZOJMWGPHBXBDOH-VXLYETTFSA-N -1 0 419.304 4.270 50 30 HIEARM Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCC(=O)[O-])cc1 ZINC000020081129 568587592 /nfs/dbraw/zinc/58/75/92/568587592.db2.gz HFGPCUCMZRNFHX-IBGZPJMESA-N -1 0 413.857 4.092 50 30 HIEARM N#Cc1c(=O)[n-]c(SCC(=O)Nc2ccc3ccccc3c2)nc1-c1ccco1 ZINC000000891037 568740734 /nfs/dbraw/zinc/74/07/34/568740734.db2.gz WQLCEZRXLFTEJY-UHFFFAOYSA-N -1 0 402.435 4.198 50 30 HIEARM C=C(C)COc1cc([C@H](CC(=O)OC)c2c([O-])c3ccccc3oc2=O)ccc1OC ZINC000217988139 568922072 /nfs/dbraw/zinc/92/20/72/568922072.db2.gz PNFQCQGPCIQHPH-KRWDZBQOSA-N -1 0 424.449 4.157 50 30 HIEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nccs2)c1 ZINC000004102875 568942854 /nfs/dbraw/zinc/94/28/54/568942854.db2.gz PYQWDQPEVCAOFG-GOSISDBHSA-N -1 0 422.462 4.392 50 30 HIEARM C=C(Br)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002243706 569007072 /nfs/dbraw/zinc/00/70/72/569007072.db2.gz BYQROHMHEGJMPD-GOSISDBHSA-N -1 0 416.271 4.277 50 30 HIEARM Cc1ccc(N=Nc2c(-c3ccccc3)[n-]n(-c3ccc([N+](=O)[O-])cc3)c2=O)c(C)c1 ZINC000252461280 569286699 /nfs/dbraw/zinc/28/66/99/569286699.db2.gz LTXPGCSTSMOQFU-UHFFFAOYSA-N -1 0 413.437 4.431 50 30 HIEARM CC/N=C1/S/C(=C\c2ccc(OCc3cccc(C(=O)[O-])c3)cc2)C(=O)N1CC ZINC000002155616 569290214 /nfs/dbraw/zinc/29/02/14/569290214.db2.gz CSDYONZGDMCBNW-ZQRXGZGKSA-N -1 0 410.495 4.276 50 30 HIEARM N#Cc1cccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])c1 ZINC000000622059 569383787 /nfs/dbraw/zinc/38/37/87/569383787.db2.gz CVLOUTPKZUJTGV-HSZRJFAPSA-N -1 0 412.445 4.093 50 30 HIEARM Cc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)c(C#N)c(=O)[n-]2)c(C)c1 ZINC000008654658 571098813 /nfs/dbraw/zinc/09/88/13/571098813.db2.gz OMZNYQYYUHKPGL-OAHLLOKOSA-N -1 0 404.495 4.045 50 30 HIEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000008739719 571110214 /nfs/dbraw/zinc/11/02/14/571110214.db2.gz MEBWJBZRJYEVPS-LJQANCHMSA-N -1 0 424.840 4.428 50 30 HIEARM C=CCn1cc(-c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000016512487 571304395 /nfs/dbraw/zinc/30/43/95/571304395.db2.gz DLVFUCCZTCNSOT-UHFFFAOYSA-N -1 0 418.316 4.299 50 30 HIEARM O=C(C=Cc1ccc2c(c1)OCO2)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000084451625 852544874 /nfs/dbraw/zinc/54/48/74/852544874.db2.gz DFFAZQGMYLPAHE-DUXPYHPUSA-N -1 0 406.268 4.142 50 30 HIEARM C=CCCOc1cccc(-c2nnc(CCC(=O)N[C@@H](C)c3ccccc3)c(=O)[n-]2)c1 ZINC000034765848 518710294 /nfs/dbraw/zinc/71/02/94/518710294.db2.gz HAISBZXFILKZDF-KRWDZBQOSA-N -1 0 418.497 4.009 50 30 HIEARM CCN1CCN(Cc2c3c(c(C)cc2[O-])C(=O)/C(=C/c2cc4ccccc4o2)O3)CC1 ZINC000022935554 521686409 /nfs/dbraw/zinc/68/64/09/521686409.db2.gz LSHDJKHEUZKSOI-HMAPJEAMSA-N -1 0 418.493 4.201 50 30 HIEARM CCN1CCN(Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccc(C(C)C)cc2)O3)CC1 ZINC000022575557 521687269 /nfs/dbraw/zinc/68/72/69/521687269.db2.gz FAMGBHBYCZSLIS-HAHDFKILSA-N -1 0 406.526 4.269 50 30 HIEARM COc1c(F)c(F)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c(F)c1F ZINC000032717108 521850707 /nfs/dbraw/zinc/85/07/07/521850707.db2.gz HFDPISCZIRYQKY-UHFFFAOYSA-N -1 0 403.275 4.071 50 30 HIEARM COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000009324158 522311375 /nfs/dbraw/zinc/31/13/75/522311375.db2.gz ZKHSJKXUMLFZGW-UHFFFAOYSA-N -1 0 404.374 4.028 50 30 HIEARM COc1ccc(OC)c(C=Nn2c(=S)[n-]nc2-c2ccccc2Br)c1 ZINC000001478451 524802008 /nfs/dbraw/zinc/80/20/08/524802008.db2.gz MXTCIMWGNBEIDJ-VXLYETTFSA-N -1 0 419.304 4.270 50 30 HIEARM COc1cccc(C=Nn2c(=S)[n-]nc2-c2ccccc2Br)c1OC ZINC000001115692 557186932 /nfs/dbraw/zinc/18/69/32/557186932.db2.gz LRRKSNCSIUTZDG-VXLYETTFSA-N -1 0 419.304 4.270 50 30 HIEARM COc1cc(C=Nn2c(=S)[n-]nc2-c2ccccc2C)cc(Br)c1O ZINC000001240654 557250663 /nfs/dbraw/zinc/25/06/63/557250663.db2.gz SZATXNSPDNFDEZ-DJKKODMXSA-N -1 0 419.304 4.275 50 30 HIEARM CCn1c(C)cs/c1=N/N=C/c1cc(Br)c([O-])c(Br)c1 ZINC000002887843 557422881 /nfs/dbraw/zinc/42/28/81/557422881.db2.gz OXXWZMCCOROWRU-DLQNABGMSA-N -1 0 419.142 4.043 50 30 HIEARM COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2CC(=O)[O-])cc1 ZINC000004702277 557584055 /nfs/dbraw/zinc/58/40/55/557584055.db2.gz VUWOEYCBCLCOAK-HSZRJFAPSA-N -1 0 406.482 4.396 50 30 HIEARM Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCCCC(=O)[O-])cc1 ZINC000004952163 557616564 /nfs/dbraw/zinc/61/65/64/557616564.db2.gz BBJOZIYAWZEPQY-NRFANRHFSA-N -1 0 407.466 4.218 50 30 HIEARM CCOc1cc(C=Nn2c(=S)[n-]nc2-c2ccccc2Br)ccc1O ZINC000009356673 557839074 /nfs/dbraw/zinc/83/90/74/557839074.db2.gz ZZTGJMZWHZGFEL-VXLYETTFSA-N -1 0 419.304 4.357 50 30 HIEARM O=C([O-])c1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2F)c1 ZINC000008922941 558363105 /nfs/dbraw/zinc/36/31/05/558363105.db2.gz WSAXDFDXEWEERN-FQEVSTJZSA-N -1 0 417.392 4.307 50 30 HIEARM O=C([O-])c1cccc(N2C(=O)C(=O)C(=C(O)C3CC3)[C@H]2c2ccc3ccccc3c2)c1 ZINC000013275987 558528643 /nfs/dbraw/zinc/52/86/43/558528643.db2.gz VRVCILYMDDKZBE-OAQYLSRUSA-N -1 0 413.429 4.417 50 30 HIEARM COc1ccc(-c2cnc(-n3[n-]c(C)c(N=Nc4ccccc4OC)c3=O)s2)cc1 ZINC000013942233 558604906 /nfs/dbraw/zinc/60/49/06/558604906.db2.gz GZHPYKMIAKFVPO-CLCOLTQESA-N -1 0 421.482 4.018 50 30 HIEARM Cc1[n-]n(-c2nc(-c3ccccc3O)cs2)c(=O)c1N=Nc1cc(C)ccc1C ZINC000004505747 558616649 /nfs/dbraw/zinc/61/66/49/558616649.db2.gz GEGSMCFNIPNTTI-CLCOLTQESA-N -1 0 405.483 4.323 50 30 HIEARM O=C([O-])CCCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccccc1F ZINC000004576429 558753571 /nfs/dbraw/zinc/75/35/71/558753571.db2.gz VFKAPXIWWUWBPC-GOSISDBHSA-N -1 0 417.458 4.111 50 30 HIEARM COc1cc(C)ccc1OCC(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000097857687 558809225 /nfs/dbraw/zinc/80/92/25/558809225.db2.gz KBRSQJHKNYXRQN-UHFFFAOYSA-N -1 0 410.300 4.096 50 30 HIEARM COc1cccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Cl)c2)c1 ZINC000013570460 558844471 /nfs/dbraw/zinc/84/44/71/558844471.db2.gz HSNGYUXQCGISBC-LJQANCHMSA-N -1 0 424.840 4.428 50 30 HIEARM COC(=O)c1cc(/N=C/c2cc(Cl)cc(Cl)c2[O-])ccc1N1CCOCC1 ZINC000098086854 559065060 /nfs/dbraw/zinc/06/50/60/559065060.db2.gz HGZLJENKRYQNDD-SSDVNMTOSA-N -1 0 409.269 4.073 50 30 HIEARM COc1cc(C=Nn2c(-c3ccccc3F)n[n-]c2=S)cc(Br)c1O ZINC000009463449 559075771 /nfs/dbraw/zinc/07/57/71/559075771.db2.gz DDHSMYXINOFXSY-UFWORHAWSA-N -1 0 423.267 4.106 50 30 HIEARM Cc1cc(Cl)ccc1NC(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[n-]1 ZINC000005238230 560548596 /nfs/dbraw/zinc/54/85/96/560548596.db2.gz VTMLPAZFABBFGX-UHFFFAOYSA-N -1 0 410.886 4.001 50 30 HIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)no1 ZINC000102530126 560813176 /nfs/dbraw/zinc/81/31/76/560813176.db2.gz CYPXKHXWWYJNDO-GHNGSUTGSA-N -1 0 412.804 4.402 50 30 HIEARM COc1ccccc1[C@H]1C(=C([O-])c2ccc(Cl)cc2)C(=O)C(=O)N1c1cc(C)on1 ZINC000102702233 560820322 /nfs/dbraw/zinc/82/03/22/560820322.db2.gz MURBHCDFLGBRKF-WOOAAIBNSA-N -1 0 424.840 4.271 50 30 HIEARM CCOc1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000102725858 560821745 /nfs/dbraw/zinc/82/17/45/560821745.db2.gz VOCWVNDDXDGXRT-GHNGSUTGSA-N -1 0 410.451 4.070 50 30 HIEARM CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102885919 560834144 /nfs/dbraw/zinc/83/41/44/560834144.db2.gz BAXJKAFIVDVBIH-MRJHHRETSA-N -1 0 418.449 4.316 50 30 HIEARM COc1cc(C=Nn2c(=S)[n-]nc2C(F)(F)F)ccc1OCCc1ccccc1 ZINC000000948192 568754841 /nfs/dbraw/zinc/75/48/41/568754841.db2.gz XONTVRPZLIDDJQ-FSJBWODESA-N -1 0 422.432 4.098 50 30 HIEARM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000003165554 568858956 /nfs/dbraw/zinc/85/89/56/568858956.db2.gz ZZHCSJGYHLEYRM-UHFFFAOYSA-N -1 0 411.527 4.162 50 30 HIEARM O=[N+]([O-])c1cc(/C=N/c2ccc(-c3nc4ncccc4o3)cc2)c([O-])c([N+](=O)[O-])c1 ZINC000003206639 568861838 /nfs/dbraw/zinc/86/18/38/568861838.db2.gz CBJHFGNCJQVGPT-UFFVCSGVSA-N -1 0 405.326 4.162 50 30 HIEARM O=C([O-])c1cccc2c1C(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1-2 ZINC000004194827 568934794 /nfs/dbraw/zinc/93/47/94/568934794.db2.gz MMYAUGMNUBQGBT-ZBJSNUHESA-N -1 0 404.338 4.046 50 30 HIEARM C=CCc1cc(/C=C2\NC(=O)[N-]C2=O)cc(OCC)c1OCc1ccccc1Cl ZINC000013897948 569001106 /nfs/dbraw/zinc/00/11/06/569001106.db2.gz DQZDYRJIJVFJEB-WQRHYEAKSA-N -1 0 412.873 4.227 50 30 HIEARM COc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2F)cc1Br ZINC000005433007 569071984 /nfs/dbraw/zinc/07/19/84/569071984.db2.gz JOKXIXMCXSLECA-DJKKODMXSA-N -1 0 407.268 4.400 50 30 HIEARM N#Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CCCC4)o3)s2)c1 ZINC000064920724 569121318 /nfs/dbraw/zinc/12/13/18/569121318.db2.gz YEDSPCRPQBIOKR-UHFFFAOYSA-N -1 0 400.485 4.128 50 30 HIEARM N#Cc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CCCC4)n3)cs2)cc1 ZINC000065009806 569153409 /nfs/dbraw/zinc/15/34/09/569153409.db2.gz HNMKIFLOYFSDCD-UHFFFAOYSA-N -1 0 400.485 4.128 50 30 HIEARM COc1cc(C=Nn2c(=S)[n-]nc2-c2cccc(C)c2)cc(Br)c1O ZINC000001478880 569282357 /nfs/dbraw/zinc/28/23/57/569282357.db2.gz DYERTNZATLEXPF-DJKKODMXSA-N -1 0 419.304 4.275 50 30 HIEARM Cc1ccc(N=C2S/C(=C/c3cn(CC(=O)[O-])c4ccccc34)C(=O)N2C)cc1 ZINC000252601401 569296999 /nfs/dbraw/zinc/29/69/99/569296999.db2.gz DZTHQZYGVNIXNP-VQIHMLRWSA-N -1 0 405.479 4.268 50 30 HIEARM CN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000252609340 569298245 /nfs/dbraw/zinc/29/82/45/569298245.db2.gz HRYKYPIAHNZLFJ-DOHYHVCRSA-N -1 0 416.842 4.001 50 30 HIEARM COCc1cc(C)nc(N=NCc2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)c1C#N ZINC000252630465 569311620 /nfs/dbraw/zinc/31/16/20/569311620.db2.gz VAENRGVUISGSIU-UHFFFAOYSA-N -1 0 424.844 4.466 50 30 HIEARM COc1ccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000008743607 571110951 /nfs/dbraw/zinc/11/09/51/571110951.db2.gz NWTIDBJLCIGLBN-IBGZPJMESA-N -1 0 424.840 4.428 50 30 HIEARM Cc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)c(C#N)c(=O)[n-]2)cc1Cl ZINC000009042058 571214950 /nfs/dbraw/zinc/21/49/50/571214950.db2.gz POGGKCNJQGHJHG-ZDUSSCGKSA-N -1 0 424.913 4.390 50 30 HIEARM CC/N=C1/S/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)cc2)C(=O)N1CC ZINC000005823488 845144700 /nfs/dbraw/zinc/14/47/00/845144700.db2.gz CSDYONZGDMCBNW-PIJRJAKLSA-N -1 0 410.495 4.276 50 30 HIEARM O=C([N-]C1CCCCC1)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000068576219 852366562 /nfs/dbraw/zinc/36/65/62/852366562.db2.gz JSBOYUSPHDWSMS-QMMMGPOBSA-N -1 0 411.211 4.470 50 30 HIEARM Cc1ccccc1-n1cc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c(-c2ccccc2)n1 ZINC000102500545 852664907 /nfs/dbraw/zinc/66/49/07/852664907.db2.gz CXWYBTCPRCXKBD-MDRMPYQZSA-N -1 0 412.445 4.076 50 30 HIEARM CSc1nc(-c2ccc(C(C)(C)C)cc2)c(C#N)c(N2CCC[C@H](C(=O)[O-])C2)n1 ZINC000012016259 132353025 /nfs/dbraw/zinc/35/30/25/132353025.db2.gz AIZDSTOIEKNCAK-HNNXBMFYSA-N -1 0 410.543 4.336 50 30 HIEARM C#CCOc1ccc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(CC)C2=O)cc1 ZINC000033793315 518319072 /nfs/dbraw/zinc/31/90/72/518319072.db2.gz BXJJMSWHVLIVPY-NMSSZPRHSA-N -1 0 406.463 4.021 50 30 HIEARM CCOC(=O)c1ccc(N=Nc2c(C)[n-]n(-c3cccc(C(F)(F)F)c3)c2=O)cc1 ZINC000028294285 521482249 /nfs/dbraw/zinc/48/22/49/521482249.db2.gz JLZSNAMCRSVAAF-UQQQWYQISA-N -1 0 418.375 4.073 50 30 HIEARM CC1(C)Cc2ccccc2C(/C(=N/[O-])C(=O)Nc2ccc(Br)cc2)=N1 ZINC000013777768 558592676 /nfs/dbraw/zinc/59/26/76/558592676.db2.gz PGWBFYOEFXENIZ-QJOMJCCJSA-N -1 0 400.276 4.042 50 30 HIEARM [O-]c1c(Br)cc(Cl)cc1C=NNc1nnc2c3ccccc3[nH]c2n1 ZINC000015015469 558701585 /nfs/dbraw/zinc/70/15/85/558701585.db2.gz ZPUJUGMUEPLVRW-FBCYGCLPSA-N -1 0 417.654 4.074 50 30 HIEARM O=C([O-])CCCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccccc1 ZINC000017919996 558828786 /nfs/dbraw/zinc/82/87/86/558828786.db2.gz PVLLDEDDKKSLRF-POICXBNUSA-N -1 0 419.477 4.310 50 30 HIEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000013570326 558844438 /nfs/dbraw/zinc/84/44/38/558844438.db2.gz IAWKDSTXODOGQX-LJQANCHMSA-N -1 0 408.410 4.066 50 30 HIEARM O=C([N-]S(=O)(=O)c1ccc(F)cc1F)c1cc(Cl)ccc1Br ZINC000097465363 559052328 /nfs/dbraw/zinc/05/23/28/559052328.db2.gz SANHLRGKJBKQJC-UHFFFAOYSA-N -1 0 410.623 4.074 50 30 HIEARM CCOc1ccc(/N=C2/S/C(=C\c3ccc([O-])c([N+](=O)[O-])c3)C(=O)N2CC)cc1 ZINC000100253459 559133404 /nfs/dbraw/zinc/13/34/04/559133404.db2.gz MVMKYQJCWHMCJW-UMWYYCSLSA-N -1 0 413.455 4.323 50 30 HIEARM C=CCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(C)cc2Br)c1=O ZINC000100658289 559193524 /nfs/dbraw/zinc/19/35/24/559193524.db2.gz BVJSJTONWKUSBE-UHFFFAOYSA-N -1 0 413.271 4.216 50 30 HIEARM Cc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[n-]1 ZINC000005238234 560548682 /nfs/dbraw/zinc/54/86/82/560548682.db2.gz GHFGBDGZZWRQCY-UHFFFAOYSA-N -1 0 410.886 4.001 50 30 HIEARM CCc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccc(C)cc3)c(C#N)c(=O)[n-]2)cc1 ZINC000005238319 560548859 /nfs/dbraw/zinc/54/88/59/560548859.db2.gz FUDRUXZGRQCMQT-OAHLLOKOSA-N -1 0 418.522 4.299 50 30 HIEARM Cc1ccc2[nH]cc(CCN3C(=O)/C(=C\C(=O)[O-])S/C3=N/C3CCCCC3)c2c1 ZINC000005274649 560561529 /nfs/dbraw/zinc/56/15/29/560561529.db2.gz ZIHOZTAYEPPKQB-DBPHPPTCSA-N -1 0 411.527 4.251 50 30 HIEARM Cc1noc([N-]S(=O)(=O)c2ccc(NC=CC(=O)c3ccc(F)cc3)cc2)c1C ZINC000005583334 560625635 /nfs/dbraw/zinc/62/56/35/560625635.db2.gz YVTROUKQHMBWRO-VAWYXSNFSA-N -1 0 415.446 4.040 50 30 HIEARM COc1ccccc1[N-]S(=O)(=O)c1ccc(N=NC2CCCCC2)c([N+](=O)[O-])c1 ZINC000005652341 560636620 /nfs/dbraw/zinc/63/66/20/560636620.db2.gz JAHJAOWYZVTTLZ-UHFFFAOYSA-N -1 0 418.475 4.136 50 30 aggregator HIEARM COCCCN1C(=O)C(=O)C(=C([O-])c2ccccc2)[C@@H]1c1cccc2ccccc21 ZINC000102531650 560813419 /nfs/dbraw/zinc/81/34/19/560813419.db2.gz YMMNIHIMBNQSDA-MOBKVPTQSA-N -1 0 401.462 4.298 50 30 HIEARM O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccc(Cl)cc2)C1=C([O-])c1ccc(F)cc1 ZINC000102649391 560818992 /nfs/dbraw/zinc/81/89/92/560818992.db2.gz SIPMKSJJVYXRTR-YDJIHCHBSA-N -1 0 422.843 4.496 50 30 HIEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(F)cc2)cc1C ZINC000102805397 560827123 /nfs/dbraw/zinc/82/71/23/560827123.db2.gz VTTJVFBBZNGIMP-NHFXJNLRSA-N -1 0 422.412 4.065 50 30 HIEARM C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000003259288 568454766 /nfs/dbraw/zinc/45/47/66/568454766.db2.gz WNMRCEACBMGXLR-UHFFFAOYSA-N -1 0 419.808 4.438 50 30 HIEARM C[C@@H](Oc1cccc(C#N)c1)C(=O)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000063235088 568828266 /nfs/dbraw/zinc/82/82/66/568828266.db2.gz NLPHKDKBNVYGKI-MRVPVSSYSA-N -1 0 405.284 4.039 50 30 HIEARM CCOc1cccc([C@@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nccs2)c1 ZINC000004103407 568942987 /nfs/dbraw/zinc/94/29/87/568942987.db2.gz KGISDRAVHYRWIC-QGZVFWFLSA-N -1 0 410.451 4.226 50 30 HIEARM N#Cc1ccccc1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000004218142 568951933 /nfs/dbraw/zinc/95/19/33/568951933.db2.gz ACFGBBASKOIPEW-QHCPKHFHSA-N -1 0 412.445 4.093 50 30 HIEARM CCOc1ccc(-c2n[n-]c(=S)n2N=Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000001885078 569056934 /nfs/dbraw/zinc/05/69/34/569056934.db2.gz UBHWIWDCUFELJM-VXLYETTFSA-N -1 0 403.851 4.450 50 30 HIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2cccs2)no1 ZINC000006565261 569066240 /nfs/dbraw/zinc/06/62/40/569066240.db2.gz QZUOEUALSYUYLW-MRXNPFEDSA-N -1 0 400.843 4.481 50 30 HIEARM CCc1ccc(Nc2nnc(SCc3c(C#N)c(N)sc3C(=O)[O-])s2)cc1 ZINC000008721229 571107030 /nfs/dbraw/zinc/10/70/30/571107030.db2.gz NZIQEOXITBHLTL-UHFFFAOYSA-N -1 0 417.541 4.350 50 30 HIEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000008739720 571110289 /nfs/dbraw/zinc/11/02/89/571110289.db2.gz MEBWJBZRJYEVPS-IBGZPJMESA-N -1 0 424.840 4.428 50 30 HIEARM COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1N=Nc1c(C)[n-][nH]c1=O ZINC000008872866 571130427 /nfs/dbraw/zinc/13/04/27/571130427.db2.gz FOBJRWOHUMBYHN-UHFFFAOYSA-N -1 0 420.256 4.368 50 30 HIEARM Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1N=Nc1ccc(F)cc1 ZINC000100149788 520898471 /nfs/dbraw/zinc/89/84/71/520898471.db2.gz BVWWMGZXXNOPMW-HAVVHWLPSA-N -1 0 424.417 4.048 50 30 HIEARM COCc1cc(C)nc(N=NCc2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)c1C#N ZINC000016267799 522916846 /nfs/dbraw/zinc/91/68/46/522916846.db2.gz IUEPTURERJZYEF-YSURURNPSA-N -1 0 424.844 4.466 50 30 HIEARM COc1ccc(/C=C\C(=O)c2ccccc2[O-])cc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000035656991 523434957 /nfs/dbraw/zinc/43/49/57/523434957.db2.gz OSOYNAJDOICEPU-NTMALXAHSA-N -1 0 407.426 4.067 50 30 HIEARM CN1c2cc(-c3ccccc3)ccc2S/C1=C1/C(=O)SC(=S)N1CC(=O)[O-] ZINC000036035071 524031775 /nfs/dbraw/zinc/03/17/75/524031775.db2.gz WXSRUUGUXISUPB-MSUUIHNZSA-N -1 0 414.533 4.010 50 30 HIEARM Cc1nn(Cc2ccc(F)cc2)c2sc(/C([O-])=N/c3nnc4ccccn43)cc12 ZINC000031739899 526290514 /nfs/dbraw/zinc/29/05/14/526290514.db2.gz ZINOERGNFACNDO-UHFFFAOYSA-N -1 0 406.446 4.273 50 30 HIEARM C[C@H](Oc1ccc(/C=C2/S/C(=N\c3cccc(Cl)c3)NC2=O)cc1)C(=O)[O-] ZINC000004695962 557582402 /nfs/dbraw/zinc/58/24/02/557582402.db2.gz XPXQYTMSYFEEPC-UJFYRASASA-N -1 0 402.859 4.084 50 30 HIEARM COc1ccc(-c2n[n-]c(=S)n2N=Cc2cc(Br)ccc2F)cc1 ZINC000005578658 557663011 /nfs/dbraw/zinc/66/30/11/557663011.db2.gz NOOZGIZPGADGKB-DJKKODMXSA-N -1 0 407.268 4.400 50 30 HIEARM COc1ccc(C=Nn2c(=S)[n-]nc2C(F)F)cc1CSc1ccccn1 ZINC000002790305 557759767 /nfs/dbraw/zinc/75/97/67/557759767.db2.gz HGXNPWLQFOGARX-ZVBGSRNCSA-N -1 0 407.471 4.083 50 30 HIEARM O=C([O-])CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000013584688 558545741 /nfs/dbraw/zinc/54/57/41/558545741.db2.gz UPOPKYRPTKBCSX-KRWDZBQOSA-N -1 0 420.248 4.046 50 30 HIEARM COc1cc(/C=C2/S/C(=N\c3cccc4ccccc43)NC2=O)cc([N+](=O)[O-])c1[O-] ZINC000013915184 558602122 /nfs/dbraw/zinc/60/21/22/558602122.db2.gz AFJZUPAFOYKAOI-WOJGMQOQSA-N -1 0 421.434 4.354 50 30 HIEARM Cc1ccc(C(=O)C=CNc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)cc1 ZINC000015856635 558757206 /nfs/dbraw/zinc/75/72/06/558757206.db2.gz CPCOKAFJUKNION-SEYXRHQNSA-N -1 0 422.510 4.011 50 30 HIEARM COc1ccc(F)cc1C([O-])=C1C(=O)C(=O)N(c2ccccn2)[C@@H]1c1ccc(F)cc1 ZINC000013735098 558861352 /nfs/dbraw/zinc/86/13/52/558861352.db2.gz HMBHUKPONGEMAM-HXUWFJFHSA-N -1 0 422.387 4.151 50 30 HIEARM CN1C(=O)/C(=C/c2cccc(Br)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000097464865 559118790 /nfs/dbraw/zinc/11/87/90/559118790.db2.gz ZJQNYLWRUNRCGB-DOOOOMTHSA-N -1 0 417.284 4.381 50 30 HIEARM COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccccc4OC)c3=O)n2)cc1 ZINC000100341508 559134236 /nfs/dbraw/zinc/13/42/36/559134236.db2.gz CABYKCDZLOYSLE-LYBHJNIJSA-N -1 0 421.482 4.018 50 30 HIEARM CC1(C)Cc2ccccc2C(/C(=N\[O-])C(=O)Nc2ccc(Br)cc2)=N1 ZINC000100098749 559147323 /nfs/dbraw/zinc/14/73/23/559147323.db2.gz PGWBFYOEFXENIZ-HAVVHWLPSA-N -1 0 400.276 4.042 50 30 HIEARM CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)S/C1=N/c1ccc(Cl)c(C(=O)[O-])c1 ZINC000100260992 559190829 /nfs/dbraw/zinc/19/08/29/559190829.db2.gz HRYKYPIAHNZLFJ-CYEOZNNUSA-N -1 0 416.842 4.001 50 30 HIEARM Cc1ccc(C)c(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)c(C#N)c(=O)[n-]2)c1 ZINC000005238243 560548659 /nfs/dbraw/zinc/54/86/59/560548659.db2.gz QCGIUQMCDRVHGP-HNNXBMFYSA-N -1 0 404.495 4.045 50 30 HIEARM CCCOC(=O)c1ccc(CSc2nc(-c3ccc(C)cc3)c(C#N)c(=O)[n-]2)cc1 ZINC000005238271 560548696 /nfs/dbraw/zinc/54/86/96/560548696.db2.gz YZSIEQGLBUSNAJ-UHFFFAOYSA-N -1 0 419.506 4.476 50 30 HIEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nncs3)[C@H]2c2ccccc2Cl)cc1 ZINC000005446134 560588190 /nfs/dbraw/zinc/58/81/90/560588190.db2.gz FAIXUOMSOCHBKZ-INIZCTEOSA-N -1 0 411.870 4.283 50 30 HIEARM O=C1C(=O)N(c2ncccn2)[C@@H](c2cccc(Cl)c2)C1=C([O-])c1ccc(F)cc1 ZINC000005446477 560588275 /nfs/dbraw/zinc/58/82/75/560588275.db2.gz MNAOKFJCJKUHED-KRWDZBQOSA-N -1 0 409.804 4.052 50 30 HIEARM O=C([O-])c1ccc(NN=Cc2cn(CC(=O)Nc3ccccc3)c3ccccc23)cc1 ZINC000005485984 560595908 /nfs/dbraw/zinc/59/59/08/560595908.db2.gz PCOZHAMHEJBLNJ-AFUMVMLFSA-N -1 0 412.449 4.424 50 30 HIEARM CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1ccc(OCC(=O)[O-])cc1)OCO3 ZINC000018197506 560782038 /nfs/dbraw/zinc/78/20/38/560782038.db2.gz RRRGSXXYNZRUTE-QFIPXVFZSA-N -1 0 421.449 4.079 50 30 HIEARM C=CCN1C(=O)C(=O)C(=C([O-])c2ccc(Br)cc2)[C@@H]1c1ccc(C)cc1 ZINC000101231604 560789379 /nfs/dbraw/zinc/78/93/79/560789379.db2.gz GFXMVGNQRTUJCK-GHNGSUTGSA-N -1 0 412.283 4.365 50 30 HIEARM C=CCn1c(=O)c(-c2nc(-c3cccc(Br)c3)no2)c([O-])c2ccccc21 ZINC000101231570 560789381 /nfs/dbraw/zinc/78/93/81/560789381.db2.gz DHJSDFUMKOPLOR-UHFFFAOYSA-N -1 0 424.254 4.373 50 30 HIEARM C=CCN1C(=O)C(=O)C(=C([O-])c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000101231617 560789398 /nfs/dbraw/zinc/78/93/98/560789398.db2.gz BJTMYFLDVGOGDS-GROYHEBESA-N -1 0 416.246 4.196 50 30 HIEARM C=CCOc1cccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000101314070 560791511 /nfs/dbraw/zinc/79/15/11/560791511.db2.gz QSGJJKRQODVVRY-LFVOPCPISA-N -1 0 422.462 4.236 50 30 HIEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(Cl)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000102493002 560812278 /nfs/dbraw/zinc/81/22/78/560812278.db2.gz HMPAXDPLTSFSIX-HVESIFNPSA-N -1 0 406.265 4.062 50 30 HIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3cc4ccccc4o3)[C@@H]2c2ccc(F)cc2)no1 ZINC000102804812 560826924 /nfs/dbraw/zinc/82/69/24/560826924.db2.gz OBZCHXSCNGSONE-NHFXJNLRSA-N -1 0 418.380 4.495 50 30 HIEARM O=C1C(=O)N(Cc2ccco2)[C@H](c2cccc(O)c2)C1=C([O-])c1ccc(Cl)cc1 ZINC000102895227 560833184 /nfs/dbraw/zinc/83/31/84/560833184.db2.gz RJJYYDACPDXHLY-LFVOPCPISA-N -1 0 409.825 4.261 50 30 HIEARM Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCCCC(=O)[O-])[C@H]2c2ccccc2)cc1 ZINC000102881224 560833775 /nfs/dbraw/zinc/83/37/75/560833775.db2.gz GQZJVBZOZHFKDA-MRJHHRETSA-N -1 0 407.466 4.062 50 30 HIEARM O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CC[C@H](C(F)(F)F)[N-]C1=O ZINC000103167364 560839749 /nfs/dbraw/zinc/83/97/49/560839749.db2.gz AYXHHTXSFZZGFF-VHSXEESVSA-N -1 0 422.247 4.120 50 30 HIEARM N#Cc1cc(C(=O)c2cc(F)ccc2[O-])cn(-c2ccc(SC(F)F)cc2)c1=O ZINC000003252004 568867941 /nfs/dbraw/zinc/86/79/41/568867941.db2.gz VQHIDMMGUIWEOM-UHFFFAOYSA-N -1 0 416.380 4.100 50 30 HIEARM CCOc1cccc([C@H]2C(=C([O-])c3ccc(C)o3)C(=O)C(=O)N2c2nccs2)c1 ZINC000004103408 568942940 /nfs/dbraw/zinc/94/29/40/568942940.db2.gz KGISDRAVHYRWIC-KRWDZBQOSA-N -1 0 410.451 4.226 50 30 HIEARM COc1ccc(Br)cc1C=Nn1c(=S)[n-]nc1-c1ccccc1F ZINC000005893739 569072062 /nfs/dbraw/zinc/07/20/62/569072062.db2.gz MGELXZLYUXXNPN-DJKKODMXSA-N -1 0 407.268 4.400 50 30 HIEARM COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccccc4C)c3=O)n2)cc1 ZINC000252620676 569304465 /nfs/dbraw/zinc/30/44/65/569304465.db2.gz MJOADSUOSVMQMK-UHFFFAOYSA-N -1 0 405.483 4.318 50 30 HIEARM CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=Nc1ccc(C(=O)[O-])cc1 ZINC000252642076 569318810 /nfs/dbraw/zinc/31/88/10/569318810.db2.gz ZJQNYLWRUNRCGB-RBVMOECKSA-N -1 0 417.284 4.381 50 30 HIEARM O=[N+]([O-])c1cc(Cc2ccccc2)cc(C=Nc2ccc(N3CCOCC3)cc2)c1[O-] ZINC000252644115 569318897 /nfs/dbraw/zinc/31/88/97/569318897.db2.gz ZZLAGWORHMFDPQ-UHFFFAOYSA-N -1 0 417.465 4.478 50 30 HIEARM O=C([O-])c1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccccc2)C4=O)cc1 ZINC000253402309 569365753 /nfs/dbraw/zinc/36/57/53/569365753.db2.gz GGAJEMHHNRPRLX-HRVJUDJTSA-N -1 0 412.397 4.442 50 30 HIEARM C[C@H](Oc1ccc(C(=O)/C=C\c2cc(Cl)c3c(c2)OCCCO3)cc1)C(=O)[O-] ZINC000096891412 852557240 /nfs/dbraw/zinc/55/72/40/852557240.db2.gz YOKJHMVEKRWYGV-SYAFZNNESA-N -1 0 402.830 4.249 50 30 HIEARM Cc1ccc(NS(=O)(=O)c2ccc(N=NCc3ccccc3)c([N+](=O)[O-])c2)c(C)c1 ZINC000254383518 854210519 /nfs/dbraw/zinc/21/05/19/854210519.db2.gz JTEFADOWNVULET-UHFFFAOYSA-N -1 0 424.482 4.458 50 30 HIEARM COc1cc(/C=C(/C(=O)C(=O)[O-])c2ccc3ccccc3n2)ccc1OCC(C)C ZINC000034914518 521922333 /nfs/dbraw/zinc/92/23/33/521922333.db2.gz ZKJOKMRLTRFVBL-LDADJPATSA-N -1 0 405.450 4.473 50 30 HIEARM O=C([O-])CCCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000004952181 557616596 /nfs/dbraw/zinc/61/65/96/557616596.db2.gz DJZQVGGBQWXXSS-HXUWFJFHSA-N -1 0 411.429 4.049 50 30 HIEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@H]2c2ccc(C)cc2)s1 ZINC000005818304 557676257 /nfs/dbraw/zinc/67/62/57/557676257.db2.gz GNCDVUBONBOQJP-QGZVFWFLSA-N -1 0 409.442 4.077 50 30 HIEARM COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC000009007711 557818875 /nfs/dbraw/zinc/81/88/75/557818875.db2.gz TUHUEVPKXLFYCH-DJKKODMXSA-N -1 0 419.850 4.069 50 30 HIEARM COc1cc(/C=C2\N=C(SCc3ccccc3)SC2=O)cc([N+](=O)[O-])c1[O-] ZINC000015016584 558702247 /nfs/dbraw/zinc/70/22/47/558702247.db2.gz KEMGJJKGZAIJPM-QPEQYQDCSA-N -1 0 402.453 4.213 50 30 HIEARM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000013552801 558843445 /nfs/dbraw/zinc/84/34/45/558843445.db2.gz AWNYTZUTPAMTBC-HXUWFJFHSA-N -1 0 422.412 4.304 50 30 HIEARM CC1(C)CC(=O)C(C(c2ccc(C(=O)[O-])cc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000105072637 559162146 /nfs/dbraw/zinc/16/21/46/559162146.db2.gz SYSSPANGDJLVAN-IBGZPJMESA-N -1 0 412.482 4.244 50 30 HIEARM Cc1cccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)c(C#N)c(=O)[n-]2)c1C ZINC000005238240 560548335 /nfs/dbraw/zinc/54/83/35/560548335.db2.gz JXAKWVJAIKVLEF-OAHLLOKOSA-N -1 0 404.495 4.045 50 30 HIEARM Cc1ccc(C)c(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)c(C#N)c(=O)[n-]2)c1 ZINC000005238242 560548622 /nfs/dbraw/zinc/54/86/22/560548622.db2.gz QCGIUQMCDRVHGP-OAHLLOKOSA-N -1 0 404.495 4.045 50 30 HIEARM Cc1ccc(-c2nc(S[C@@H](C)C(=O)Nc3ccc(C)cc3C)[n-]c(=O)c2C#N)cc1 ZINC000005238323 560548783 /nfs/dbraw/zinc/54/87/83/560548783.db2.gz XXUSBFSNIUNWRF-INIZCTEOSA-N -1 0 418.522 4.353 50 30 HIEARM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccco2)cc1 ZINC000102495215 560812279 /nfs/dbraw/zinc/81/22/79/560812279.db2.gz BVDMCHIWPPTVAG-GHNGSUTGSA-N -1 0 424.478 4.378 50 30 HIEARM Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000102696994 560820071 /nfs/dbraw/zinc/82/00/71/560820071.db2.gz XIWVEGHMHWMQCH-SELCWUDQSA-N -1 0 405.841 4.065 50 30 HIEARM COc1ccc([C@@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000102804396 560826752 /nfs/dbraw/zinc/82/67/52/560826752.db2.gz DGCUMNFNVJEZKO-LFVOPCPISA-N -1 0 424.840 4.271 50 30 HIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2cccs2)no1 ZINC000102804278 560826837 /nfs/dbraw/zinc/82/68/37/560826837.db2.gz WXIQSQGZKMOHDF-UYTDBDHRSA-N -1 0 400.843 4.324 50 30 HIEARM CCOc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000102804926 560826983 /nfs/dbraw/zinc/82/69/83/560826983.db2.gz LNZSTZFHEXYMOV-NHFXJNLRSA-N -1 0 422.412 4.147 50 30 HIEARM CN(C)c1ccc(-c2nc3ccccn3c2/N=C/c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000000805810 568487234 /nfs/dbraw/zinc/48/72/34/568487234.db2.gz INTPDHWXOMFHRY-OEAKJJBVSA-N -1 0 401.426 4.432 50 30 HIEARM C[C@@H](Sc1nc(-c2ccccc2)c(C#N)c(=O)[n-]1)C(=O)Nc1cccc(Cl)c1 ZINC000002746345 568805981 /nfs/dbraw/zinc/80/59/81/568805981.db2.gz LYTDHDMJHPOFBS-GFCCVEGCSA-N -1 0 410.886 4.081 50 30 HIEARM CCOc1ccc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1OC ZINC000005953717 568832226 /nfs/dbraw/zinc/83/22/26/568832226.db2.gz IOHAVGZIQGCPSA-NOQVSKCTSA-N -1 0 412.467 4.026 50 30 HIEARM CCOC(=O)c1sc(N=Cc2c(C)[n-]n(-c3ccc(C)cc3C)c2=O)c(C#N)c1C ZINC000101350291 568940892 /nfs/dbraw/zinc/94/08/92/568940892.db2.gz IGOTXEVYQJHYML-BOPFTXTBSA-N -1 0 422.510 4.440 50 30 HIEARM Cc1nnc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000001464673 568990069 /nfs/dbraw/zinc/99/00/69/568990069.db2.gz RGSQAEJUZDMOSN-AWEZNQCLSA-N -1 0 417.899 4.344 50 30 HIEARM C[C@H](C(=O)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)N(C)Cc1ccccc1 ZINC000089518726 569062641 /nfs/dbraw/zinc/06/26/41/569062641.db2.gz LAQHTQDSSLYXKO-GFCCVEGCSA-N -1 0 401.315 4.159 50 30 HIEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc3c(s2)-c2ccccc2CC3)n1 ZINC000006607526 569071692 /nfs/dbraw/zinc/07/16/92/569071692.db2.gz NINYIYYGMKCESO-INIZCTEOSA-N -1 0 408.504 4.312 50 30 HIEARM CCCOc1ccc([C@H]2C(=C([O-])c3ccco3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000008996435 571208707 /nfs/dbraw/zinc/20/87/07/571208707.db2.gz PLNKQLTVXBUFIA-IBGZPJMESA-N -1 0 408.410 4.148 50 30 HIEARM N#Cc1ccsc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000009714714 571281454 /nfs/dbraw/zinc/28/14/54/571281454.db2.gz FCWLGRCOVLCXOZ-UHFFFAOYSA-N -1 0 417.899 4.326 50 30 HIEARM CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@@H]2c1cc([N+](=O)[O-])ccc1[O-] ZINC000032523692 520257959 /nfs/dbraw/zinc/25/79/59/520257959.db2.gz JTUUCCVYIDSCRW-CTNGQTDRSA-N -1 0 416.433 4.343 50 30 HIEARM Cc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccco4)[C@H]3c3cccnc3)sc2c1 ZINC000027987626 526252054 /nfs/dbraw/zinc/25/20/54/526252054.db2.gz PVUPTRRRALAORK-GOSISDBHSA-N -1 0 417.446 4.376 50 30 HIEARM O=c1c(N=Nc2ccc(Cl)cc2)c(-c2ccccc2)[n-]n1-c1ccc([N+](=O)[O-])cc1 ZINC000008398130 526949666 /nfs/dbraw/zinc/94/96/66/526949666.db2.gz HMOVOCXFZZOEAN-GFMRDNFCSA-N -1 0 419.828 4.467 50 30 HIEARM Cc1ccc(S(=O)([O-])=NC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1 ZINC000001030440 557146894 /nfs/dbraw/zinc/14/68/94/557146894.db2.gz XNPPKVAMTZMTQX-UHFFFAOYSA-N -1 0 409.439 4.112 50 30 HIEARM COc1cc(C=Nn2c(=S)[n-]nc2C2CCCCC2)cc(Br)c1O ZINC000001282667 557253549 /nfs/dbraw/zinc/25/35/49/557253549.db2.gz UTOLQRVJNWFUSN-GIJQJNRQSA-N -1 0 411.325 4.347 50 30 HIEARM CCOC(=O)/C(=N/[N-]c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002905270 557425390 /nfs/dbraw/zinc/42/53/90/557425390.db2.gz OGKUXVLTZAEYFA-PGMHBOJBSA-N -1 0 415.298 4.064 50 30 HIEARM COc1ccc(C=Nn2c(=S)[n-]nc2C(F)(F)Cl)cc1COc1ccccc1 ZINC000002791634 557764303 /nfs/dbraw/zinc/76/43/03/557764303.db2.gz MSWVGCMODUPWQO-LSHDLFTRSA-N -1 0 424.860 4.325 50 30 HIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@@H]2c2cccc(Cl)c2)no1 ZINC000008738595 557803276 /nfs/dbraw/zinc/80/32/76/557803276.db2.gz ZZCRSWXTUFEWER-INIZCTEOSA-N -1 0 400.843 4.481 50 30 HIEARM C=CCN1C(=O)[C@H](Cc2ccc(OCC)cc2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000013154509 558524268 /nfs/dbraw/zinc/52/42/68/558524268.db2.gz PALDENOMWCZACN-CWJYSFMFSA-N -1 0 410.495 4.144 50 30 HIEARM COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccc(C)cc4O)c3=O)n2)cc1 ZINC000013895386 558600240 /nfs/dbraw/zinc/60/02/40/558600240.db2.gz LFIQHHLLKLZGJA-CLCOLTQESA-N -1 0 421.482 4.023 50 30 HIEARM Cc1[n-]n(-c2ncc(-c3ccccc3O)s2)c(=O)c1N=Nc1cccc(C)c1C ZINC000013943645 558605389 /nfs/dbraw/zinc/60/53/89/558605389.db2.gz GZGKLGZNXMLCLM-CLCOLTQESA-N -1 0 405.483 4.323 50 30 HIEARM COc1ccc(F)cc1C([O-])=C1C(=O)C(=O)N(c2ccccn2)[C@H]1c1ccc(F)cc1 ZINC000013735101 558861295 /nfs/dbraw/zinc/86/12/95/558861295.db2.gz HMBHUKPONGEMAM-FQEVSTJZSA-N -1 0 422.387 4.151 50 30 HIEARM CCN(CC)S(=O)(=O)c1ccc(/N=C/c2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000096316623 559109622 /nfs/dbraw/zinc/10/96/22/559109622.db2.gz PSQYBQAQFDGIAG-RGVLZGJSSA-N -1 0 401.315 4.480 50 30 HIEARM Cc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccc(C)cc3)c(C#N)c(=O)[n-]2)cc1 ZINC000005238314 560548876 /nfs/dbraw/zinc/54/88/76/560548876.db2.gz PMNXMTHOHGARME-OAHLLOKOSA-N -1 0 404.495 4.045 50 30 HIEARM Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCC(=O)[O-])[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102501608 560812668 /nfs/dbraw/zinc/81/26/68/560812668.db2.gz IOBIYPPHRAXIKM-MOBKVPTQSA-N -1 0 421.493 4.405 50 30 HIEARM COc1cccc([C@H]2C(=C([O-])c3ccc(Cl)cc3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000102804083 560826741 /nfs/dbraw/zinc/82/67/41/560826741.db2.gz SVUHAWIMHZKKPA-WOOAAIBNSA-N -1 0 424.840 4.271 50 30 HIEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccccc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102798421 560828041 /nfs/dbraw/zinc/82/80/41/560828041.db2.gz FCEVACAWYJIEGD-HVESIFNPSA-N -1 0 406.265 4.062 50 30 HIEARM Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(=O)[O-])c3)[C@@H]2c2ccccc2)cc1 ZINC000102857613 560831073 /nfs/dbraw/zinc/83/10/73/560831073.db2.gz RMXMBBMZVGGVEK-JBCNATCCSA-N -1 0 413.429 4.320 50 30 HIEARM O=C1C(=O)N(Cc2ccco2)[C@@H](c2cccc(O)c2)C1=C([O-])c1ccc(Cl)cc1 ZINC000102895228 560833161 /nfs/dbraw/zinc/83/31/61/560833161.db2.gz RJJYYDACPDXHLY-WOOAAIBNSA-N -1 0 409.825 4.261 50 30 HIEARM O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CC[C@@H](C(F)(F)F)[N-]C1=O ZINC000103167370 560839789 /nfs/dbraw/zinc/83/97/89/560839789.db2.gz AYXHHTXSFZZGFF-UWVGGRQHSA-N -1 0 422.247 4.120 50 30 HIEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nncs3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000104196565 560849648 /nfs/dbraw/zinc/84/96/48/560849648.db2.gz XRFSUHSKVOYZOG-IBOXJLQUSA-N -1 0 411.870 4.126 50 30 HIEARM COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccc(C)cc4)c3=O)n2)cc1 ZINC000100507574 560850307 /nfs/dbraw/zinc/85/03/07/560850307.db2.gz CMLIKBYTNLVJKO-LYBHJNIJSA-N -1 0 405.483 4.318 50 30 HIEARM O=C([N-]S(=O)(=O)Cc1ccc(Br)cc1)c1cccc(Cl)c1F ZINC000095418620 568606950 /nfs/dbraw/zinc/60/69/50/568606950.db2.gz LQBCCNCDLQDRJA-UHFFFAOYSA-N -1 0 406.660 4.076 50 30 HIEARM C=CCOc1ccccc1[C@H]1CC(=O)Nc2nc(SCc3ccccc3)[nH]c(=O)c21 ZINC000086056910 568753683 /nfs/dbraw/zinc/75/36/83/568753683.db2.gz NKCNSIUYHDOVCW-QGZVFWFLSA-N -1 0 419.506 4.101 50 30 HIEARM O=C([O-])c1ccccc1-c1ccc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)o1 ZINC000001083993 568768027 /nfs/dbraw/zinc/76/80/27/568768027.db2.gz FWAUYOVZGXSWRC-BHGWPJFGSA-N -1 0 419.462 4.177 50 30 HIEARM COC(=O)C[C@H](c1ccc(OC(C)C)c(OC)c1)C1=C([O-])c2ccccc2C(=O)C1=O ZINC000217595326 568896553 /nfs/dbraw/zinc/89/65/53/568896553.db2.gz IPOUIVBUPOOQBE-QGZVFWFLSA-N -1 0 424.449 4.020 50 30 HIEARM C=CCn1c(C)c(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c2ccccc21 ZINC000000631969 569005920 /nfs/dbraw/zinc/00/59/20/569005920.db2.gz HDVNVOOZSGEFON-GHRIWEEISA-N -1 0 419.481 4.106 50 30 HIEARM C=CCOc1ccc(/C=C2\SC(=S)N([C@H](C(=O)[O-])c3ccccc3)C2=O)cc1 ZINC000001815654 569056134 /nfs/dbraw/zinc/05/61/34/569056134.db2.gz MAXDARDKZCEYFF-FDWYHIAWSA-N -1 0 411.504 4.279 50 30 HIEARM Cc1csc(C(C#N)=C([O-])COC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1 ZINC000006605986 569071170 /nfs/dbraw/zinc/07/11/70/569071170.db2.gz KLOJDLOOWVEBPK-INIZCTEOSA-N -1 0 402.903 4.336 50 30 HIEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2cc3c(s2)-c2ccccc2CC3)n1 ZINC000006607528 569071648 /nfs/dbraw/zinc/07/16/48/569071648.db2.gz NINYIYYGMKCESO-MRXNPFEDSA-N -1 0 408.504 4.312 50 30 HIEARM CCOC(=O)c1ccc(N=Nc2c(=O)n(-c3ccccc3)[n-]c2-c2ccccc2)cc1 ZINC000252461179 569286745 /nfs/dbraw/zinc/28/67/45/569286745.db2.gz LCUJZMQRZJYNML-UHFFFAOYSA-N -1 0 412.449 4.082 50 30 HIEARM COc1cc(-c2nc3ccccn3c2N=Cc2cccc([N+](=O)[O-])c2[O-])ccc1O ZINC000252626683 569310599 /nfs/dbraw/zinc/31/05/99/569310599.db2.gz RDNIMCRFFFXAKI-UHFFFAOYSA-N -1 0 404.382 4.080 50 30 HIEARM O=C1c2ccc([O-])c(CN3CCOCC3)c2O/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000002352520 569383098 /nfs/dbraw/zinc/38/30/98/569383098.db2.gz CKNABQJOFVJFPH-ZDLGFXPLSA-N -1 0 406.265 4.147 50 30 HIEARM N#CC(c1nc(C23CC4CC(CC(C4)C2)C3)cs1)=C1[N-]S(=O)(=O)c2ccccc21 ZINC000009090573 571220552 /nfs/dbraw/zinc/22/05/52/571220552.db2.gz OCGQGKBECZHGQJ-LEJIWSMMSA-N -1 0 423.563 4.410 50 30 HIEARM CCOc1cccc(C=Nn2c(=S)[n-]nc2-c2ccccc2Br)c1O ZINC000009320497 571248085 /nfs/dbraw/zinc/24/80/85/571248085.db2.gz YKGPLABMTKQYFJ-VXLYETTFSA-N -1 0 419.304 4.357 50 30 HIEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc(-c3cccc(Br)c3)s2)C(=O)O1 ZINC000102500428 852664921 /nfs/dbraw/zinc/66/49/21/852664921.db2.gz DIVNLISLGNQJOO-SUQGKYDKSA-N -1 0 417.280 4.406 50 30 HIEARM Cc1csc(C(C#N)=C([O-])c2ccccc2OCc2cn3cc(C)ccc3n2)n1 ZINC000048787880 526428250 /nfs/dbraw/zinc/42/82/50/526428250.db2.gz MZJXKADOBASEDK-GOSISDBHSA-N -1 0 402.479 4.477 50 30 HIEARM Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)sc1C ZINC000102933196 526960717 /nfs/dbraw/zinc/96/07/17/526960717.db2.gz BWNPUCOGIDHOLI-GHNGSUTGSA-N -1 0 424.453 4.231 50 30 HIEARM CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccccc1OCC(=O)[O-] ZINC000000999903 557139558 /nfs/dbraw/zinc/13/95/58/557139558.db2.gz DEVJSONDEFEPRW-UHFFFAOYSA-N -1 0 423.509 4.123 50 30 HIEARM CCOc1cc(-c2nc3ccccn3c2/N=C/c2cc([N+](=O)[O-])ccc2[O-])ccc1O ZINC000005801167 557800145 /nfs/dbraw/zinc/80/01/45/557800145.db2.gz NFEVHCPQFZFGEF-YDZHTSKRSA-N -1 0 418.409 4.470 50 30 HIEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(CCc3c[nH]cn3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000008715658 557801234 /nfs/dbraw/zinc/80/12/34/557801234.db2.gz MXMYZLUFUVDVGX-FQEVSTJZSA-N -1 0 421.884 4.193 50 30 HIEARM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nccs3)[C@H]2c2cccc(F)c2)cc1C ZINC000008837784 557811470 /nfs/dbraw/zinc/81/14/70/557811470.db2.gz ZDBBAUJZNAPKQG-SFHVURJKSA-N -1 0 424.453 4.382 50 30 HIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@H]2c2ccc(Cl)cc2)no1 ZINC000008996502 558457630 /nfs/dbraw/zinc/45/76/30/558457630.db2.gz CGWURMMFSNXJPY-MRXNPFEDSA-N -1 0 400.843 4.481 50 30 HIEARM CCCOc1cccc(C([O-])=C2C(=O)C(=O)N(c3nccs3)[C@@H]2c2cccnc2)c1 ZINC000013470812 558533760 /nfs/dbraw/zinc/53/37/60/558533760.db2.gz GVERFIGASQKERG-GOSISDBHSA-N -1 0 421.478 4.110 50 30 HIEARM C=CCn1c(=O)c2ccc(C(=O)N[C@@H](CC)c3ccc(Cl)cc3)cc2[n-]c1=S ZINC000010918970 558562856 /nfs/dbraw/zinc/56/28/56/558562856.db2.gz FDRZWKLRDZYZPZ-KRWDZBQOSA-N -1 0 413.930 4.406 50 30 HIEARM COc1cc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])c(OC)cc1Cl ZINC000101667669 559147699 /nfs/dbraw/zinc/14/76/99/559147699.db2.gz PDXFACFKNXMTLL-CNHKJKLMSA-N -1 0 415.627 4.484 50 30 HIEARM COc1cccc(C(=O)CC(=Nc2cc(C)c(C)cc2Br)C(=O)[O-])c1 ZINC000004822087 559150643 /nfs/dbraw/zinc/15/06/43/559150643.db2.gz MZTPXOXDDUJQQN-YVLHZVERSA-N -1 0 404.260 4.338 50 30 HIEARM COc1ccc(/C=C2\S/C(=N/c3ccc(Cl)c(C(=O)[O-])c3)N(C)C2=O)cc1 ZINC000005558018 560614320 /nfs/dbraw/zinc/61/43/20/560614320.db2.gz JVWVCSPCNSIAMR-VIYXUHAESA-N -1 0 402.859 4.281 50 30 HIEARM COc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000018008347 560743876 /nfs/dbraw/zinc/74/38/76/560743876.db2.gz DYCJAJLLXVAAST-QGZVFWFLSA-N -1 0 410.426 4.074 50 30 HIEARM CC(O)=C1C(=O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000101152669 560786999 /nfs/dbraw/zinc/78/69/99/560786999.db2.gz NAABOMQSKBTHPE-IZNAZMGOSA-N -1 0 406.316 4.103 50 30 HIEARM O=C1C(=O)N(C[C@@H]2CCCO2)[C@H](c2ccc(F)cc2)C1=C([O-])c1ccc(Cl)cc1 ZINC000102531235 560813414 /nfs/dbraw/zinc/81/34/14/560813414.db2.gz DBXWDZBVCBCMOW-FPUHYBSFSA-N -1 0 415.848 4.080 50 30 HIEARM O=C1C(=O)N(Cc2ccco2)[C@H](c2ccc(O)cc2)C1=C([O-])c1ccc(Cl)cc1 ZINC000102601445 560817779 /nfs/dbraw/zinc/81/77/79/560817779.db2.gz IZFSJLXTEVOPPY-LFVOPCPISA-N -1 0 409.825 4.261 50 30 HIEARM O=C1C(=O)N(Cc2cccnc2)[C@@H](c2cccc(F)c2)C1=C([O-])c1ccc(Cl)cc1 ZINC000102649875 560818984 /nfs/dbraw/zinc/81/89/84/560818984.db2.gz CQIAXOFIJQJBDT-NHFXJNLRSA-N -1 0 422.843 4.496 50 30 HIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@@H]2c2cccc(Cl)c2)no1 ZINC000102702360 560820358 /nfs/dbraw/zinc/82/03/58/560820358.db2.gz ZJLBPLBXQIQIKF-GHNGSUTGSA-N -1 0 412.804 4.402 50 30 HIEARM O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccc(O)cc2)C1=C([O-])c1ccc(Cl)cc1 ZINC000102875039 560830547 /nfs/dbraw/zinc/83/05/47/560830547.db2.gz HBQPFNLKRDMCGG-NHFXJNLRSA-N -1 0 420.852 4.063 50 30 HIEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(C)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102924894 560834217 /nfs/dbraw/zinc/83/42/17/560834217.db2.gz ZAUPXYBSYZHWNQ-GHNGSUTGSA-N -1 0 420.292 4.370 50 30 HIEARM N#Cc1c(=O)[n-]c(SCc2cc(Cl)c3c(c2)OCCO3)nc1-c1ccccc1 ZINC000024747159 568460998 /nfs/dbraw/zinc/46/09/98/568460998.db2.gz SEJCVUUBCODACD-UHFFFAOYSA-N -1 0 411.870 4.025 50 30 HIEARM O=C([O-])CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1Cl ZINC000020130040 568589679 /nfs/dbraw/zinc/58/96/79/568589679.db2.gz MMECPSKSAARMQF-KRWDZBQOSA-N -1 0 420.248 4.046 50 30 HIEARM N#Cc1cccc(C#N)c1Oc1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000001024221 568763353 /nfs/dbraw/zinc/76/33/53/568763353.db2.gz JDVIZFVDNMZLBK-UHFFFAOYSA-N -1 0 411.389 4.301 50 30 HIEARM CCOc1ccc(-n2c(C)cc(C(=O)[N-]S(=O)(=O)c3ccc(C)cc3)c2C)cc1 ZINC000003186080 568860476 /nfs/dbraw/zinc/86/04/76/568860476.db2.gz LVBOVNDMEAWMBC-UHFFFAOYSA-N -1 0 412.511 4.495 50 30 HIEARM Cc1sc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)c(C#N)c1C ZINC000004270364 568956562 /nfs/dbraw/zinc/95/65/62/568956562.db2.gz MPMQSDFJDFSQOH-UHFFFAOYSA-N -1 0 411.508 4.290 50 30 HIEARM CCOc1ccc(N=C2S/C(=C/c3ccc([O-])c([N+](=O)[O-])c3)C(=O)N2CC)cc1 ZINC000252621221 569307652 /nfs/dbraw/zinc/30/76/52/569307652.db2.gz MVMKYQJCWHMCJW-JEESXGFFSA-N -1 0 413.455 4.323 50 30 HIEARM CN1C(=O)/C(=C\c2cc3c(cc2Cl)OCO3)SC1=Nc1ccc(C(=O)[O-])cc1 ZINC000252642948 569318773 /nfs/dbraw/zinc/31/87/73/569318773.db2.gz ZRSNAOWHWVYHIJ-DOHYHVCRSA-N -1 0 416.842 4.001 50 30 HIEARM CCCCn1c([N-]S(=O)(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc21 ZINC000002300014 569369017 /nfs/dbraw/zinc/36/90/17/569369017.db2.gz YATKXEZWVFHDRL-UHFFFAOYSA-N -1 0 405.483 4.057 50 30 HIEARM C=CCN1C(=O)[C@@H](Cc2ccccc2Cl)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000012343837 569400423 /nfs/dbraw/zinc/40/04/23/569400423.db2.gz JAMBIMPRQMBAGU-SLNYWTKHSA-N -1 0 400.887 4.398 50 30 HIEARM COc1ccc(-c2nc(NCc3ccccc3OC(F)(F)F)[n-]c(=O)c2C#N)cc1 ZINC000040130027 571182079 /nfs/dbraw/zinc/18/20/79/571182079.db2.gz CWHYAVALQVHTJJ-UHFFFAOYSA-N -1 0 416.359 4.240 50 30 HIEARM Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@H]2c2ccc(O)cc2)sc1C ZINC000008987248 571205836 /nfs/dbraw/zinc/20/58/36/571205836.db2.gz ZRULOLVUMIRUAB-GOSISDBHSA-N -1 0 424.453 4.388 50 30 HIEARM CCCCCOc1ccc(/C=N/n2c([O-])nc3c4ccc(OC)cc4[nH]c3c2=O)cc1 ZINC000009088601 571219921 /nfs/dbraw/zinc/21/99/21/571219921.db2.gz MBJNANXIBQPIEG-ZVHZXABRSA-N -1 0 420.469 4.043 50 30 HIEARM C=CCOc1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000009462504 571260738 /nfs/dbraw/zinc/26/07/38/571260738.db2.gz SRBIBBFVBRILDK-LJQANCHMSA-N -1 0 422.462 4.392 50 30 HIEARM