smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102598937 130220348 /nfs/dbraw/zinc/22/03/48/130220348.db2.gz ORBUDIHMCPJUIQ-MOBKVPTQSA-N -1 1 472.453 4.398 50 30 JIEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102598937 130220353 /nfs/dbraw/zinc/22/03/53/130220353.db2.gz ORBUDIHMCPJUIQ-MOBKVPTQSA-N -1 1 472.453 4.398 50 30 JIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000102691872 130239111 /nfs/dbraw/zinc/23/91/11/130239111.db2.gz NZBFDXPCMKSFIZ-WOOAAIBNSA-N -1 1 469.837 4.180 50 30 JIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Br)c2)cc1 ZINC000102710079 130256288 /nfs/dbraw/zinc/25/62/88/130256288.db2.gz SYMPKMXNVKNAPM-WOOAAIBNSA-N -1 1 469.291 4.380 50 30 JIEAMM CCCOc1cccc([C@@H]2C(=C([O-])c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000102715079 130261270 /nfs/dbraw/zinc/26/12/70/130261270.db2.gz NKVWPJQIXXWKHP-ZHHPLPSFSA-N -1 1 478.501 4.415 50 30 JIEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000102715079 130261275 /nfs/dbraw/zinc/26/12/75/130261275.db2.gz NKVWPJQIXXWKHP-ZHHPLPSFSA-N -1 1 478.501 4.415 50 30 JIEAMM COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccc([N+](=O)[O-])c2)cc1OC ZINC000102800807 130310066 /nfs/dbraw/zinc/31/00/66/130310066.db2.gz JQDZDUMKGIAKNK-HOGKFDNTSA-N -1 1 460.442 4.238 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000102803682 130311472 /nfs/dbraw/zinc/31/14/72/130311472.db2.gz FLZRUKMCGRNMMQ-HVESIFNPSA-N -1 1 470.478 4.295 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@@H]2c2cccs2)nc1C ZINC000102805229 130313010 /nfs/dbraw/zinc/31/30/10/130313010.db2.gz NNCBEVZEOAFYPO-UYTDBDHRSA-N -1 1 454.529 4.234 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccs2)nc1C ZINC000102805229 130313014 /nfs/dbraw/zinc/31/30/14/130313014.db2.gz NNCBEVZEOAFYPO-UYTDBDHRSA-N -1 1 454.529 4.234 50 30 JIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000102857961 130327625 /nfs/dbraw/zinc/32/76/25/130327625.db2.gz XMUAUSSBINBPLD-NXLSWJSLSA-N -1 1 475.497 4.434 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000102858526 130328763 /nfs/dbraw/zinc/32/87/63/130328763.db2.gz YKJANQMZLXTUPF-IBOXJLQUSA-N -1 1 499.526 4.224 50 30 JIEAMM COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C([O-])C(=O)N2c2ccccc2)cc1OC ZINC000102867543 130340782 /nfs/dbraw/zinc/34/07/82/130340782.db2.gz WWZRIMOGBSFPBN-MOBKVPTQSA-N -1 1 460.442 4.238 50 30 JIEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2nccs2)c(OC)c1 ZINC000102872583 130344210 /nfs/dbraw/zinc/34/42/10/130344210.db2.gz DODJTIXRLBJZAC-SELCWUDQSA-N -1 1 456.907 4.440 50 30 JIEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)sc1C ZINC000102879494 130354240 /nfs/dbraw/zinc/35/42/40/130354240.db2.gz FTNNVKZJSHIYEN-GHNGSUTGSA-N -1 1 453.451 4.434 50 30 JIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(Br)cc2)s1 ZINC000102882685 130361553 /nfs/dbraw/zinc/36/15/53/130361553.db2.gz MTFWQOLVDXOMGG-UYTDBDHRSA-N -1 1 474.311 4.374 50 30 JIEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000102883065 130362733 /nfs/dbraw/zinc/36/27/33/130362733.db2.gz NWUIZKGVGKHPTA-HOGKFDNTSA-N -1 1 464.474 4.025 50 30 JIEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000102883065 130362738 /nfs/dbraw/zinc/36/27/38/130362738.db2.gz NWUIZKGVGKHPTA-HOGKFDNTSA-N -1 1 464.474 4.025 50 30 JIEAMM C=CCN1c2ccc([N-]S(=O)(=O)c3ccc(NC(=O)CCC)cc3)cc2OCC(C)(C)C1=O ZINC000009167149 518875596 /nfs/dbraw/zinc/87/55/96/518875596.db2.gz IRVNHUFTZWVBNU-UHFFFAOYSA-N -1 1 471.579 4.164 50 30 JIEAMM CC(=O)Nc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009272845 519720610 /nfs/dbraw/zinc/72/06/10/519720610.db2.gz FSHWRBNFJFQGQZ-QFIPXVFZSA-N -1 1 457.442 4.336 50 30 JIEAMM CC(=O)Nc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009272825 519721316 /nfs/dbraw/zinc/72/13/16/519721316.db2.gz FSEYWSSIBVQTFD-JOCHJYFZSA-N -1 1 457.442 4.336 50 30 JIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009236797 520884437 /nfs/dbraw/zinc/88/44/37/520884437.db2.gz VZVXWPVKRFMIJU-HXUWFJFHSA-N -1 1 466.515 4.342 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000009334410 521611517 /nfs/dbraw/zinc/61/15/17/521611517.db2.gz GEJTVGQARXMZBZ-GOSISDBHSA-N -1 1 498.513 4.021 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(O)c(OC)c2)nc1C ZINC000009043354 521611892 /nfs/dbraw/zinc/61/18/92/521611892.db2.gz PFOIKSZMTQXCAP-IBGZPJMESA-N -1 1 494.525 4.125 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccc(F)cc2)nc1C ZINC000009008691 522422848 /nfs/dbraw/zinc/42/28/48/522422848.db2.gz KCWXBKFOUHNSKY-LJQANCHMSA-N -1 1 496.516 4.477 50 30 JIEAMM COc1cc([C@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2cc(C)on2)cc(OC)c1OC ZINC000009243962 522953629 /nfs/dbraw/zinc/95/36/29/522953629.db2.gz DCYQNAAINFPDFO-NRFANRHFSA-N -1 1 464.474 4.100 50 30 JIEAMM COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc(OC)c1OC ZINC000009243962 522953640 /nfs/dbraw/zinc/95/36/40/522953640.db2.gz DCYQNAAINFPDFO-NRFANRHFSA-N -1 1 464.474 4.100 50 30 JIEAMM COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C([O-])C(=O)N2c2ccccc2)cc1OC ZINC000009460789 525389789 /nfs/dbraw/zinc/38/97/89/525389789.db2.gz UDCVESBTAJMXND-QFIPXVFZSA-N -1 1 460.442 4.395 50 30 JIEAMM COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C([O-])C(=O)N2c2ccccc2)c(OC)c1 ZINC000009379674 525390927 /nfs/dbraw/zinc/39/09/27/525390927.db2.gz NQTDKFIQHSRMTK-QFIPXVFZSA-N -1 1 460.442 4.395 50 30 JIEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000009124269 526271253 /nfs/dbraw/zinc/27/12/53/526271253.db2.gz WYXBXKJVLINGDA-SFHVURJKSA-N -1 1 454.891 4.351 50 30 JIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000009459188 526353705 /nfs/dbraw/zinc/35/37/05/526353705.db2.gz RSHYBJPLHZCPNP-SFHVURJKSA-N -1 1 469.906 4.054 50 30 JIEAMM O=S(=O)(/N=C(/[N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000012523902 527157180 /nfs/dbraw/zinc/15/71/80/527157180.db2.gz OPNBJMOXWIYXCE-UHFFFAOYSA-N -1 1 469.371 4.107 50 30 JIEAMM O=c1[n-]c(=O)n(-c2ccc(F)cc2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(C1CCCCC1)N2 ZINC000012374780 527434725 /nfs/dbraw/zinc/43/47/25/527434725.db2.gz KCJADTSJUPEXPF-UHFFFAOYSA-N -1 1 478.368 4.389 50 30 JIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000008741044 554643238 /nfs/dbraw/zinc/64/32/38/554643238.db2.gz WBBLAVGCIDQJQI-FQEVSTJZSA-N -1 1 454.866 4.437 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@H]2c2cccs2)nc1C ZINC000008779355 554676564 /nfs/dbraw/zinc/67/65/64/554676564.db2.gz WKVZVRYBMHMPMS-OAHLLOKOSA-N -1 1 458.517 4.374 50 30 JIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(Br)cc2)s1 ZINC000008903357 554797460 /nfs/dbraw/zinc/79/74/60/554797460.db2.gz VFGAEPMCASXWED-AWEZNQCLSA-N -1 1 462.350 4.453 50 30 JIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000008915032 554808053 /nfs/dbraw/zinc/80/80/53/554808053.db2.gz HLQSONQCXUCGCL-IBGZPJMESA-N -1 1 469.837 4.336 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(F)cc2)nc1C ZINC000008996208 554856544 /nfs/dbraw/zinc/85/65/44/554856544.db2.gz CJWDFMWZBDEHDY-QGZVFWFLSA-N -1 1 452.463 4.160 50 30 JIEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccccc3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000008996927 554858405 /nfs/dbraw/zinc/85/84/05/554858405.db2.gz YYIJAHFZHCILEK-IBGZPJMESA-N -1 1 478.526 4.420 50 30 JIEAMM CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000008996927 554858407 /nfs/dbraw/zinc/85/84/07/554858407.db2.gz YYIJAHFZHCILEK-IBGZPJMESA-N -1 1 478.526 4.420 50 30 JIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccccc2F)s1 ZINC000009541727 555334281 /nfs/dbraw/zinc/33/42/81/555334281.db2.gz BUYBRCKGSKNPEL-WYRIXSBYSA-N -1 1 451.479 4.092 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccco2)nc1C ZINC000013552911 555492928 /nfs/dbraw/zinc/49/29/28/555492928.db2.gz NYPLXJXTRHACQP-QGZVFWFLSA-N -1 1 452.488 4.313 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccs2)nc1C ZINC000013569396 555507985 /nfs/dbraw/zinc/50/79/85/555507985.db2.gz NRPRQZZTGNJXHF-OAHLLOKOSA-N -1 1 458.492 4.222 50 30 JIEAMM N#Cc1ccccc1CSCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000032736781 556478214 /nfs/dbraw/zinc/47/82/14/556478214.db2.gz YJYUHYUFVACKAD-UHFFFAOYSA-N -1 1 451.573 4.022 50 30 JIEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(OC)c2OC)cc1C ZINC000006499152 562937361 /nfs/dbraw/zinc/93/73/61/562937361.db2.gz BMWYNCOHPXWDCL-OAQYLSRUSA-N -1 1 464.474 4.100 50 30 JIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(OC)c2OC)cc1C ZINC000006499152 562937363 /nfs/dbraw/zinc/93/73/63/562937363.db2.gz BMWYNCOHPXWDCL-OAQYLSRUSA-N -1 1 464.474 4.100 50 30 JIEAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCN(Cc4ccccc4C#N)C3=O)c2)cc1 ZINC000034737664 569654540 /nfs/dbraw/zinc/65/45/40/569654540.db2.gz HNAPUCUZCUAVAJ-UHFFFAOYSA-N -1 1 460.559 4.500 50 30 JIEAMM C=CCNC(=O)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000065063595 569657035 /nfs/dbraw/zinc/65/70/35/569657035.db2.gz ZIZYEVLUNUUPQN-UHFFFAOYSA-N -1 1 488.363 4.353 50 30 JIEAMM C[C@@H]1CN(c2ccc(C(F)(F)F)cc2NC(=O)[N-]S(=O)(=O)c2ccccc2F)C[C@H](C)O1 ZINC000036489947 569776392 /nfs/dbraw/zinc/77/63/92/569776392.db2.gz JQCIBECHAXDELD-BETUJISGSA-N -1 1 475.464 4.173 50 30 JIEAMM C[C@@H]1CN(c2ccc(C(F)(F)F)cc2NC([O-])=NS(=O)(=O)c2ccccc2F)C[C@H](C)O1 ZINC000036489947 569776393 /nfs/dbraw/zinc/77/63/93/569776393.db2.gz JQCIBECHAXDELD-BETUJISGSA-N -1 1 475.464 4.173 50 30 JIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000101287515 569789560 /nfs/dbraw/zinc/78/95/60/569789560.db2.gz SDISBFOHOCFJDL-MRJHHRETSA-N -1 1 461.430 4.082 50 30 JIEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000101313259 569792075 /nfs/dbraw/zinc/79/20/75/569792075.db2.gz NDVYKEWDGINUQZ-ZHHPLPSFSA-N -1 1 460.486 4.491 50 30 JIEAMM Cc1cccc(C(=O)N(Cc2ccc(C#N)cc2)c2nn3c([n-]2)nc(C)c(Cc2ccccc2)c3=O)c1 ZINC000101878401 569806652 /nfs/dbraw/zinc/80/66/52/569806652.db2.gz FLLVRCRFNXVQNY-UHFFFAOYSA-N -1 1 488.551 4.344 50 30 JIEAMM CCCCc1c(C)nc2[n-]c(N(Cc3cccc(C#N)c3)C(=O)c3cccc(Cl)c3)nn2c1=O ZINC000101878803 569806937 /nfs/dbraw/zinc/80/69/37/569806937.db2.gz XYBUQMLSRYZFRJ-UHFFFAOYSA-N -1 1 474.952 4.441 50 30 JIEAMM 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RVMDIRDQOFUZLX-QFIPXVFZSA-N -1 1 464.474 4.269 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccc(OC)cc2)nc1C ZINC000009360927 522423607 /nfs/dbraw/zinc/42/36/07/522423607.db2.gz CWYWDZRJOXNYDU-LJQANCHMSA-N -1 1 494.525 4.038 50 30 JIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(OC)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009379774 523566826 /nfs/dbraw/zinc/56/68/26/523566826.db2.gz ADSYONFDAPWKNG-JOCHJYFZSA-N -1 1 460.442 4.395 50 30 JIEAMM CCc1ccc(NC(=NC(=O)c2ccccc2)Nc2nc(CSc3ncccn3)cc(=O)[n-]2)cc1 ZINC000009191972 523962153 /nfs/dbraw/zinc/96/21/53/523962153.db2.gz AQGUXOAYRLBXIO-UHFFFAOYSA-N -1 1 485.573 4.135 50 30 JIEAMM COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C([O-])C(=O)N2c2ccccc2)c(OC)c1 ZINC000009379673 525222676 /nfs/dbraw/zinc/22/26/76/525222676.db2.gz NQTDKFIQHSRMTK-JOCHJYFZSA-N -1 1 460.442 4.395 50 30 JIEAMM CCCCOc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000102896299 535327403 /nfs/dbraw/zinc/32/74/03/535327403.db2.gz 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COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(F)c2)nc1C ZINC000102503196 130157211 /nfs/dbraw/zinc/15/72/11/130157211.db2.gz JADJCQMIJZAJRS-WOOAAIBNSA-N -1 1 496.516 4.321 50 30 JIEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCCCC(=O)[O-])cc1 ZINC000102536400 130191472 /nfs/dbraw/zinc/19/14/72/130191472.db2.gz JVPOUZJSWWDSHZ-MRJHHRETSA-N -1 1 457.910 4.415 50 30 JIEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000102604457 130221674 /nfs/dbraw/zinc/22/16/74/130221674.db2.gz LMUUSAYYUAWVSM-QJGVGSKSSA-N -1 1 463.471 4.001 50 30 JIEAMM COc1ccccc1[C@@H]1C(C(=O)c2ccc(Br)cc2)=C([O-])C(=O)N1c1cc(C)on1 ZINC000102695092 130241728 /nfs/dbraw/zinc/24/17/28/130241728.db2.gz GHTWNFZBGHMPRU-LFVOPCPISA-N -1 1 469.291 4.380 50 30 JIEAMM COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000102734278 130278863 /nfs/dbraw/zinc/27/88/63/130278863.db2.gz VQOOOGQPENMAKJ-ZHHPLPSFSA-N -1 1 478.501 4.414 50 30 JIEAMM 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C=CCN1c2ccc([N-]S(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)cc2OCC(C)(C)C1=O ZINC000009167142 518876045 /nfs/dbraw/zinc/87/60/45/518876045.db2.gz HLHZZSWDMGTHSG-UHFFFAOYSA-N -1 1 471.579 4.020 50 30 JIEAMM CC(=O)Nc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009272826 519720846 /nfs/dbraw/zinc/72/08/46/519720846.db2.gz FSEYWSSIBVQTFD-QFIPXVFZSA-N -1 1 457.442 4.336 50 30 JIEAMM CN(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCCCC(=O)[O-])cc1 ZINC000009993263 522245892 /nfs/dbraw/zinc/24/58/92/522245892.db2.gz SYIGOFAAVZVTNQ-JOCHJYFZSA-N -1 1 454.498 4.115 50 30 JIEAMM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nccs2)cc1OC ZINC000009330057 525389934 /nfs/dbraw/zinc/38/99/34/525389934.db2.gz HUKRACHZKYENJW-ASSNKEHSSA-N -1 1 478.526 4.267 50 30 JIEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nccs2)cc1OC ZINC000009330057 525389942 /nfs/dbraw/zinc/38/99/42/525389942.db2.gz HUKRACHZKYENJW-ASSNKEHSSA-N -1 1 478.526 4.267 50 30 JIEAMM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000009763860 526026429 /nfs/dbraw/zinc/02/64/29/526026429.db2.gz WTPAQNLSFJJYBM-NRFANRHFSA-N -1 1 482.945 4.079 50 30 JIEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000009763860 526026435 /nfs/dbraw/zinc/02/64/35/526026435.db2.gz WTPAQNLSFJJYBM-NRFANRHFSA-N -1 1 482.945 4.079 50 30 JIEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cc(C)on2)ccc1O ZINC000102709123 535688078 /nfs/dbraw/zinc/68/80/78/535688078.db2.gz ABLPNRCFXQYXRB-YDJIHCHBSA-N -1 1 454.866 4.367 50 30 JIEAMM COc1ccc(C=Nn2cc([O-])c(-c3nc(-c4ccccc4)cs3)c2N)c(OC)c1OC ZINC000102724195 536614793 /nfs/dbraw/zinc/61/47/93/536614793.db2.gz NHALBKPDXKEHQH-SBIRALGMSA-N -1 1 450.520 4.432 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2cccnc2)nc1C ZINC000000702673 553761311 /nfs/dbraw/zinc/76/13/11/553761311.db2.gz KKYRIENAFXQNJP-SFHVURJKSA-N -1 1 481.505 4.254 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2F)nc1C ZINC000001481269 553977350 /nfs/dbraw/zinc/97/73/50/553977350.db2.gz HWVKQBHHIVCJPP-QGZVFWFLSA-N -1 1 470.453 4.299 50 30 JIEAMM COc1ccc(C=Nn2cn[n-]c2=S)cc1COc1ccc(I)cc1 ZINC000002788828 554345427 /nfs/dbraw/zinc/34/54/27/554345427.db2.gz NCHDTKVAHZHAGP-AWQFTUOYSA-N -1 1 466.304 4.015 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3)[C@H]2c2ccccc2)nc1C ZINC000008740913 554643250 /nfs/dbraw/zinc/64/32/50/554643250.db2.gz RBLDJIXZBWDMJL-LJQANCHMSA-N -1 1 478.526 4.420 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccccc2)nc1C ZINC000008740913 554643251 /nfs/dbraw/zinc/64/32/51/554643251.db2.gz RBLDJIXZBWDMJL-LJQANCHMSA-N -1 1 478.526 4.420 50 30 JIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000008837282 554737909 /nfs/dbraw/zinc/73/79/09/554737909.db2.gz WRAIIOPQRUOBOV-HXUWFJFHSA-N -1 1 465.849 4.435 50 30 JIEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000008996894 554858313 /nfs/dbraw/zinc/85/83/13/554858313.db2.gz GSUAPQICMOEPKC-LJQANCHMSA-N -1 1 497.301 4.315 50 30 JIEAMM COc1cc(-c2cc3n(c(=O)c2C#N)CCc2cc(OC)c(OC)cc2-3)cc(Br)c1[O-] ZINC000013592104 555526877 /nfs/dbraw/zinc/52/68/77/555526877.db2.gz JKICPIYEUBKFEZ-UHFFFAOYSA-N -1 1 483.318 4.104 50 30 biogenic JIEAMM Cc1cccc(CS(=O)(=O)c2ncc(Cl)c(C(=O)[N-]c3sc4c(c3C#N)CCCC4)n2)c1 ZINC000011915006 555865853 /nfs/dbraw/zinc/86/58/53/555865853.db2.gz ZQMPFNSMBGPLKY-UHFFFAOYSA-N -1 1 487.006 4.477 50 30 JIEAMM C=CCn1c(Cc2csc(NC(=O)c3cnc(SC)n3-c3ccccc3)n2)n[n-]c1=S ZINC000023099694 556008098 /nfs/dbraw/zinc/00/80/98/556008098.db2.gz JNDARTMMFDZSEE-UHFFFAOYSA-N -1 1 469.621 4.334 50 30 JIEAMM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000016975510 556193808 /nfs/dbraw/zinc/19/38/08/556193808.db2.gz SRYXGZZMKOYZON-NRFANRHFSA-N -1 1 482.945 4.079 50 30 JIEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000016975510 556193812 /nfs/dbraw/zinc/19/38/12/556193812.db2.gz SRYXGZZMKOYZON-NRFANRHFSA-N -1 1 482.945 4.079 50 30 JIEAMM COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2[nH]nc(C)c2[C@@H]3c2ccc(C(=O)[O-])cc2)cc1OC ZINC000018199494 556306960 /nfs/dbraw/zinc/30/69/60/556306960.db2.gz MYOFKIVAODJDOG-HXOBKFHXSA-N -1 1 459.502 4.392 50 30 JIEAMM C=CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2nc(SCc3ccccc3C)[n-]c(=O)c21 ZINC000086057047 569717038 /nfs/dbraw/zinc/71/70/38/569717038.db2.gz WCLCHAIRENYQPG-SFHVURJKSA-N -1 1 463.559 4.418 50 30 JIEAMM C=CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2nc(SCc3cccc(C)c3)[n-]c(=O)c21 ZINC000086057161 569717187 /nfs/dbraw/zinc/71/71/87/569717187.db2.gz RYZPJNYLWHHSDB-GOSISDBHSA-N -1 1 463.559 4.418 50 30 JIEAMM C#CCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4Cl)[n-]c(=O)c32)cc1OC ZINC000086057350 569717193 /nfs/dbraw/zinc/71/71/93/569717193.db2.gz NSOBEIKOJISVBC-INIZCTEOSA-N -1 1 481.961 4.210 50 30 JIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccc(Br)cc2)s1 ZINC000101069987 569781039 /nfs/dbraw/zinc/78/10/39/569781039.db2.gz QCFSUDASMXLXEX-SXWSKBOKSA-N -1 1 462.350 4.297 50 30 JIEAMM CC(=O)Nc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2)cc1 ZINC000101502793 569800969 /nfs/dbraw/zinc/80/09/69/569800969.db2.gz BYLWVIPRQFSBEA-HOGKFDNTSA-N -1 1 457.442 4.180 50 30 JIEAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(C#N)cc1 ZINC000136918695 569864735 /nfs/dbraw/zinc/86/47/35/569864735.db2.gz QIAMDMGCPODJSV-UHFFFAOYSA-N -1 1 461.525 4.313 50 30 JIEAMM COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(C)=O)s3)[C@H]2c2cc(O)ccc2OC)cc1 ZINC000230141570 570045737 /nfs/dbraw/zinc/04/57/37/570045737.db2.gz BLVFWQTUMIZZKV-FQEVSTJZSA-N -1 1 494.525 4.160 50 30 JIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(C)=O)s3)[C@H]2c2cc(O)ccc2OC)cc1 ZINC000230141570 570045738 /nfs/dbraw/zinc/04/57/38/570045738.db2.gz BLVFWQTUMIZZKV-FQEVSTJZSA-N -1 1 494.525 4.160 50 30 JIEAMM C=CCN(c1ccccc1)S(=O)(=O)c1ccc2[n-]cc(C(=O)NCc3ccc(C)cc3)c(=O)c2c1 ZINC000004654431 194393409 /nfs/dbraw/zinc/39/34/09/194393409.db2.gz YUTYNXBFUIWOAN-UHFFFAOYSA-N -1 1 487.581 4.148 50 30 JIEAMM COC(=O)c1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(NC(C)=O)cc2)c1 ZINC000057692924 195357659 /nfs/dbraw/zinc/35/76/59/195357659.db2.gz YDVIXOIZUKTIFI-QHCPKHFHSA-N -1 1 470.481 4.215 50 30 JIEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000102487090 130141195 /nfs/dbraw/zinc/14/11/95/130141195.db2.gz WVZZVYNPAMYFTF-LFVOPCPISA-N -1 1 469.291 4.380 50 30 JIEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(C)s2)c1 ZINC000102620005 130225429 /nfs/dbraw/zinc/22/54/29/130225429.db2.gz PFVHXAZFURGMNZ-JBCNATCCSA-N -1 1 493.541 4.033 50 30 JIEAMM COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(NC(C)=O)cc2)c(OC)c1 ZINC000102622676 130226300 /nfs/dbraw/zinc/22/63/00/130226300.db2.gz RJLRAVGFLZZCMV-SBXHHDGASA-N -1 1 472.497 4.289 50 30 JIEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000102692878 130239660 /nfs/dbraw/zinc/23/96/60/130239660.db2.gz MUQNEGYJTLQBIH-NHFXJNLRSA-N -1 1 482.876 4.058 50 30 JIEAMM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000102725643 130270373 /nfs/dbraw/zinc/27/03/73/130270373.db2.gz XFIZMLPBBRYTME-AYWGPLOBSA-N -1 1 478.501 4.415 50 30 JIEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000102725643 130270376 /nfs/dbraw/zinc/27/03/76/130270376.db2.gz XFIZMLPBBRYTME-AYWGPLOBSA-N -1 1 478.501 4.415 50 30 JIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Br)c2)cc1OC ZINC000102732173 130275949 /nfs/dbraw/zinc/27/59/49/130275949.db2.gz POKQTVUFDNCTJE-YDJIHCHBSA-N -1 1 499.317 4.389 50 30 JIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102798379 130306436 /nfs/dbraw/zinc/30/64/36/130306436.db2.gz XQMMFJOYRNIKHI-SELCWUDQSA-N -1 1 451.460 4.076 50 30 JIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009068366 519024465 /nfs/dbraw/zinc/02/44/65/519024465.db2.gz FDJUKFAXEKWNPX-XMMPIXPASA-N -1 1 472.497 4.447 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccccc2)nc1C ZINC000006144026 521611806 /nfs/dbraw/zinc/61/18/06/521611806.db2.gz SYBZSGAPGDFGEY-INIZCTEOSA-N -1 1 454.529 4.473 50 30 JIEAMM CCSc1nc2ccc(NC(=O)CSc3nnc(NN=C(C)c4ccccn4)[n-]3)cc2s1 ZINC000020608385 521785552 /nfs/dbraw/zinc/78/55/52/521785552.db2.gz PBNCSRBRDAJFGD-ROTLSHHCSA-N -1 1 484.636 4.488 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2cccc(OC)c2)nc1C ZINC000016730488 522419764 /nfs/dbraw/zinc/41/97/64/522419764.db2.gz HFYQSVKVIGZFGT-IBGZPJMESA-N -1 1 496.516 4.477 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(OC)c2)nc1C ZINC000008914988 522420582 /nfs/dbraw/zinc/42/05/82/522420582.db2.gz YGFWRBYPCCELTQ-GOSISDBHSA-N -1 1 482.489 4.169 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccccc2F)nc1C ZINC000009373712 522423205 /nfs/dbraw/zinc/42/32/05/522423205.db2.gz RRFXQQCVCJSMTO-SFHVURJKSA-N -1 1 482.489 4.169 50 30 JIEAMM O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000015724106 527579310 /nfs/dbraw/zinc/57/93/10/527579310.db2.gz DVEHJTUPSLZLTP-NRFANRHFSA-N -1 1 471.893 4.292 50 30 JIEAMM O=C([O-])CC1S/C(=N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)NC1=O ZINC000009762832 527632426 /nfs/dbraw/zinc/63/24/26/527632426.db2.gz OHCLOWLZRGLSDE-QPCOYWRUSA-N -1 1 496.770 4.078 50 30 JIEAMM COc1cccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc(Br)cc2)c1 ZINC000102704776 537073747 /nfs/dbraw/zinc/07/37/47/537073747.db2.gz AVYXXPYGKBVHNR-NHFXJNLRSA-N -1 1 465.303 4.479 50 30 JIEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc(Br)cc2)c1 ZINC000102704776 537073750 /nfs/dbraw/zinc/07/37/50/537073750.db2.gz AVYXXPYGKBVHNR-NHFXJNLRSA-N -1 1 465.303 4.479 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(C)cc2)nc1C ZINC000001481163 553977337 /nfs/dbraw/zinc/97/73/37/553977337.db2.gz UGEOEZSEMQCBMG-GOSISDBHSA-N -1 1 466.490 4.469 50 30 JIEAMM C=CCN(c1ccccc1)S(=O)(=O)c1ccc2[n-]cc(C(=O)NCCCCCC)c(=O)c2c1 ZINC000006296446 554527753 /nfs/dbraw/zinc/52/77/53/554527753.db2.gz KGCJZLYCSFYTSG-UHFFFAOYSA-N -1 1 467.591 4.220 50 30 JIEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000008896023 554785432 /nfs/dbraw/zinc/78/54/32/554785432.db2.gz XQKXAFJXIROGAT-OAQYLSRUSA-N -1 1 463.446 4.463 50 30 JIEAMM COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000008914512 554807571 /nfs/dbraw/zinc/80/75/71/554807571.db2.gz WDNSFMRDLRAODK-FQEVSTJZSA-N -1 1 454.866 4.437 50 30 JIEAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1NC(=O)COc1ccc(C#N)cc1 ZINC000009580525 555385946 /nfs/dbraw/zinc/38/59/46/555385946.db2.gz BBTXKPFEFIXXMD-UHFFFAOYSA-N -1 1 455.923 4.338 50 30 JIEAMM 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C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000101287928 569789663 /nfs/dbraw/zinc/78/96/63/569789663.db2.gz UAADSNSSFRTSGD-MOBKVPTQSA-N -1 1 476.485 4.191 50 30 JIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000101287928 569789664 /nfs/dbraw/zinc/78/96/64/569789664.db2.gz UAADSNSSFRTSGD-MOBKVPTQSA-N -1 1 476.485 4.191 50 30 JIEAMM COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2cc(C)on2)cc(OC)c1OC ZINC000102872080 569825921 /nfs/dbraw/zinc/82/59/21/569825921.db2.gz AQWWMWXXXLUFPR-HOGKFDNTSA-N -1 1 490.468 4.381 50 30 JIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(NC(C)=O)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000104124580 569841483 /nfs/dbraw/zinc/84/14/83/569841483.db2.gz PBKJJJPFLZSGSW-AYWGPLOBSA-N -1 1 487.468 4.188 50 30 JIEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000004196838 194383805 /nfs/dbraw/zinc/38/38/05/194383805.db2.gz GIAATGZXLXKWDD-QFIPXVFZSA-N -1 1 476.485 4.340 50 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466.515 4.185 50 30 JIEAMM CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(C)s2)c1 ZINC000009109361 520471310 /nfs/dbraw/zinc/47/13/10/520471310.db2.gz YWBDTIKTJHASFI-NRFANRHFSA-N -1 1 493.541 4.189 50 30 JIEAMM CCOc1cc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000012463334 520640229 /nfs/dbraw/zinc/64/02/29/520640229.db2.gz UUQGONYHIKSITM-KNQBZKNYSA-N -1 1 496.372 4.367 50 30 JIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009135706 520884564 /nfs/dbraw/zinc/88/45/64/520884564.db2.gz BHGVLCAWPCAJHP-SFHVURJKSA-N -1 1 451.460 4.233 50 30 JIEAMM CCOc1ccc([C@H]2C(=C([O-])c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000009427377 521267790 /nfs/dbraw/zinc/26/77/90/521267790.db2.gz RYDWTUQPUGJGRD-QFIPXVFZSA-N -1 1 464.474 4.182 50 30 JIEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000009427377 521267800 /nfs/dbraw/zinc/26/78/00/521267800.db2.gz RYDWTUQPUGJGRD-QFIPXVFZSA-N -1 1 464.474 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CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102716622 535417194 /nfs/dbraw/zinc/41/71/94/535417194.db2.gz LMFFVWJNBYYXMZ-SELCWUDQSA-N -1 1 482.514 4.165 50 30 JIEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Br)c2)c1 ZINC000102717496 537073918 /nfs/dbraw/zinc/07/39/18/537073918.db2.gz WDYVLRILRJRJCW-LFVOPCPISA-N -1 1 469.291 4.380 50 30 JIEAMM CC1(C)SC(=S)N(/N=C/c2cccs2)[C@H]1N([O-])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000008817194 554699869 /nfs/dbraw/zinc/69/98/69/554699869.db2.gz CRJFADGEIIXCTC-XKYMITNMSA-N -1 1 451.555 4.352 50 30 JIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000008859559 554756004 /nfs/dbraw/zinc/75/60/04/554756004.db2.gz SZRFQEOAMRTGGY-SFHVURJKSA-N -1 1 451.460 4.151 50 30 JIEAMM COc1ccc(CN=Nc2ccccc2C(=O)[O-])cc1Cn1nc(C)c(Br)c1C ZINC000013756112 555610569 /nfs/dbraw/zinc/61/05/69/555610569.db2.gz IKVZJWDWAKRKGV-FOKLQQMPSA-N -1 1 457.328 4.464 50 30 JIEAMM CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc3ccccc3c2[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000020309355 555766127 /nfs/dbraw/zinc/76/61/27/555766127.db2.gz BHQRAESXMWOFFM-NRFANRHFSA-N -1 1 450.922 4.339 50 30 JIEAMM CCOC(=O)N1CCC(N=Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2[N+](=O)[O-])CC1 ZINC000012561300 556054450 /nfs/dbraw/zinc/05/44/50/556054450.db2.gz PNFNBQVWXVKWCW-UHFFFAOYSA-N -1 1 495.945 4.069 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2cccs2)nc1C ZINC000017180524 556234606 /nfs/dbraw/zinc/23/46/06/556234606.db2.gz NGKBAGRGSKVRHF-INIZCTEOSA-N -1 1 454.529 4.473 50 30 JIEAMM C=CCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[n-]c(=O)c32)cc1OC ZINC000086057126 569717119 /nfs/dbraw/zinc/71/71/19/569717119.db2.gz BKFCOFJJFUPZLK-SFHVURJKSA-N -1 1 463.559 4.418 50 30 JIEAMM C=CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2nc(SCc3ccc(C)cc3)[n-]c(=O)c21 ZINC000086057283 569717189 /nfs/dbraw/zinc/71/71/89/569717189.db2.gz YHYNYICVKJMDIL-SFHVURJKSA-N -1 1 463.559 4.418 50 30 JIEAMM 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COc1cc(OC)c([C@H]2c3c(=O)[n-]c(SC(C)C)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000000937275 553874218 /nfs/dbraw/zinc/87/42/18/553874218.db2.gz OUOCNBBODZPNMU-LJQANCHMSA-N -1 1 485.606 4.497 50 30 JIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000001462064 553975688 /nfs/dbraw/zinc/97/56/88/553975688.db2.gz SOLZCLZVKZBBPR-HXUWFJFHSA-N -1 1 466.515 4.429 50 30 JIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(Br)cc2)s1 ZINC000002501857 554229400 /nfs/dbraw/zinc/22/94/00/554229400.db2.gz FKCRFWYRYFSEKH-MRXNPFEDSA-N -1 1 456.321 4.392 50 30 JIEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000008738642 554640358 /nfs/dbraw/zinc/64/03/58/554640358.db2.gz GWUYUCHSOYDQJD-JOCHJYFZSA-N -1 1 464.474 4.182 50 30 JIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000008738642 554640360 /nfs/dbraw/zinc/64/03/60/554640360.db2.gz GWUYUCHSOYDQJD-JOCHJYFZSA-N -1 1 464.474 4.182 50 30 JIEAMM COc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C([O-])C(=O)N2c2nnc(C)s2)c1 ZINC000008744245 554647479 /nfs/dbraw/zinc/64/74/79/554647479.db2.gz OSIREIVCPVYAFJ-HXUWFJFHSA-N -1 1 465.531 4.425 50 30 JIEAMM COc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C([O-])C(=O)N2c2nnc(C)s2)c1 ZINC000008744246 554647485 /nfs/dbraw/zinc/64/74/85/554647485.db2.gz OSIREIVCPVYAFJ-FQEVSTJZSA-N -1 1 465.531 4.425 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000008779339 554676589 /nfs/dbraw/zinc/67/65/89/554676589.db2.gz UDVMMVHZKNFSBU-QGZVFWFLSA-N -1 1 497.485 4.221 50 30 JIEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000008845227 554741746 /nfs/dbraw/zinc/74/17/46/554741746.db2.gz VOTMWUKFSRZASU-GOSISDBHSA-N -1 1 454.891 4.351 50 30 JIEAMM O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1cccnc1)c1ccc2c(c1)OCCO2 ZINC000008845151 554741756 /nfs/dbraw/zinc/74/17/56/554741756.db2.gz PPPZJJUCKOVTIA-NRFANRHFSA-N -1 1 489.484 4.385 50 30 JIEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000008896028 554785363 /nfs/dbraw/zinc/78/53/63/554785363.db2.gz XQKXAFJXIROGAT-NRFANRHFSA-N -1 1 463.446 4.463 50 30 JIEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000008964622 554838466 /nfs/dbraw/zinc/83/84/66/554838466.db2.gz CVYCNRBYABODFN-HSZRJFAPSA-N -1 1 473.481 4.360 50 30 biogenic JIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(NC(C)=O)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009380194 555142097 /nfs/dbraw/zinc/14/20/97/555142097.db2.gz PMHCMSLXBBAUNR-QHCPKHFHSA-N -1 1 487.468 4.345 50 30 JIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccccc2F)s1 ZINC000009541724 555334364 /nfs/dbraw/zinc/33/43/64/555334364.db2.gz BUYBRCKGSKNPEL-NSPYISDASA-N -1 1 451.479 4.092 50 30 JIEAMM CN(C)c1ccc(/C=N/N2C(=S)SC(C)(C)[C@H]2N([O-])C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000013140558 555337436 /nfs/dbraw/zinc/33/74/36/555337436.db2.gz VKAJUOOPAOQEJT-MNOULKQQSA-N -1 1 488.595 4.356 50 30 JIEAMM Cc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)c3c(=O)[n-]c(=O)n(-c4ccccc4F)c3N2)cc1 ZINC000013769030 555613658 /nfs/dbraw/zinc/61/36/58/555613658.db2.gz FFLDEOQZINSPCG-UHFFFAOYSA-N -1 1 486.347 4.166 50 30 JIEAMM Cc1ccc([O-])c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 ZINC000020310423 555768880 /nfs/dbraw/zinc/76/88/80/555768880.db2.gz ITNCCGSQGTXEAG-RUZDIDTESA-N -1 1 492.616 4.299 50 30 JIEAMM COc1ccc([C@H]2c3c(=O)[n-]c(SC(C)C)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000017113590 556218633 /nfs/dbraw/zinc/21/86/33/556218633.db2.gz JOSRYUUJXPXCRM-GOSISDBHSA-N -1 1 455.580 4.488 50 30 JIEAMM C=CCNC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000065059850 569655038 /nfs/dbraw/zinc/65/50/38/569655038.db2.gz NHJXUCNJQXFAHQ-UHFFFAOYSA-N -1 1 488.363 4.353 50 30 JIEAMM C#CCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4cccc(Cl)c4)[n-]c(=O)c32)cc1OC ZINC000086057449 569717319 /nfs/dbraw/zinc/71/73/19/569717319.db2.gz AVIPRAOORIHHFK-KRWDZBQOSA-N -1 1 481.961 4.210 50 30 JIEAMM C=CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2nc(SCc3ccccc3F)[n-]c(=O)c21 ZINC000086057687 569717467 /nfs/dbraw/zinc/71/74/67/569717467.db2.gz OPQBHKRVQBGYBO-INIZCTEOSA-N -1 1 467.522 4.249 50 30 JIEAMM Cc1cccc(NC(=O)C([O-])=CC(=O)c2cccc(NC3=CC(=O)C(=O)c4ccccc43)c2)c1C ZINC000100721527 569767663 /nfs/dbraw/zinc/76/76/63/569767663.db2.gz FCEMZOGKJVGDSV-UHFFFAOYSA-N -1 1 466.493 4.302 50 30 JIEAMM CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)[O-])c2c[nH]c3cc(NC(=O)c4ccccc4)ccc32)CC1 ZINC000036357469 569771982 /nfs/dbraw/zinc/77/19/82/569771982.db2.gz OFIZBNOKAGPFHK-JOCHJYFZSA-N -1 1 478.549 4.483 50 30 JIEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000101062644 569780760 /nfs/dbraw/zinc/78/07/60/569780760.db2.gz ZLSYYNNEFYWWKO-IBOXJLQUSA-N -1 1 486.303 4.440 50 30 JIEAMM Cc1nc2[n-]c(N(Cc3ccc(C#N)cc3)C(=O)c3ccccc3F)nn2c(=O)c1Cc1ccccc1 ZINC000101878395 569806712 /nfs/dbraw/zinc/80/67/12/569806712.db2.gz SGXAZTLONAXSNN-UHFFFAOYSA-N -1 1 492.514 4.175 50 30 JIEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000102368866 130122593 /nfs/dbraw/zinc/12/25/93/130122593.db2.gz VMJSQNAKRCOKOW-JBCNATCCSA-N -1 1 463.446 4.305 50 30 JIEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102506391 130160992 /nfs/dbraw/zinc/16/09/92/130160992.db2.gz GGNPKZIYICYITR-LFVOPCPISA-N -1 1 478.457 4.441 50 30 JIEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccc(O)cc2)no1 ZINC000102531875 130185284 /nfs/dbraw/zinc/18/52/84/130185284.db2.gz LUCZEXMRGGIUIV-GHNGSUTGSA-N -1 1 455.264 4.077 50 30 JIEAMM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)c1 ZINC000102679739 130236321 /nfs/dbraw/zinc/23/63/21/130236321.db2.gz FARHLKOMKTXXOU-IWUDECAASA-N -1 1 477.542 4.195 50 30 JIEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)c1 ZINC000102679739 130236326 /nfs/dbraw/zinc/23/63/26/130236326.db2.gz FARHLKOMKTXXOU-IWUDECAASA-N -1 1 477.542 4.195 50 30 JIEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000102704276 130249824 /nfs/dbraw/zinc/24/98/24/130249824.db2.gz QSEFQENQHRDETN-HOGKFDNTSA-N -1 1 476.485 4.185 50 30 JIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000102705468 130251207 /nfs/dbraw/zinc/25/12/07/130251207.db2.gz PGIBIBUMXSXYOE-WOOAAIBNSA-N -1 1 469.837 4.180 50 30 JIEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1 ZINC000102710538 130256790 /nfs/dbraw/zinc/25/67/90/130256790.db2.gz ONUCJLVQRSOLNJ-YDJIHCHBSA-N -1 1 465.531 4.269 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3cccc(OC)c3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000102722173 130267494 /nfs/dbraw/zinc/26/74/94/130267494.db2.gz HDNNQAVUWFHOOB-WOOAAIBNSA-N -1 1 478.526 4.181 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000102722173 130267497 /nfs/dbraw/zinc/26/74/97/130267497.db2.gz HDNNQAVUWFHOOB-WOOAAIBNSA-N -1 1 478.526 4.181 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccco2)nc1C ZINC000102725251 130269812 /nfs/dbraw/zinc/26/98/12/130269812.db2.gz KWMNEXDYEZHBFI-GROYHEBESA-N -1 1 452.488 4.156 50 30 JIEAMM COc1ccc(F)cc1C(=O)C1=C([O-])C(=O)N(c2nnc(C)s2)[C@@H]1c1ccc(Cl)cc1 ZINC000102749523 130289610 /nfs/dbraw/zinc/28/96/10/130289610.db2.gz VBGQWNYTAPQJEH-GROYHEBESA-N -1 1 459.886 4.274 50 30 JIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102798377 130306535 /nfs/dbraw/zinc/30/65/35/130306535.db2.gz XQMMFJOYRNIKHI-GHNGSUTGSA-N -1 1 451.460 4.076 50 30 JIEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000102803635 130311353 /nfs/dbraw/zinc/31/13/53/130311353.db2.gz OXFWPJJPQFIZHZ-HOGKFDNTSA-N -1 1 464.474 4.025 50 30 JIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000102803635 130311355 /nfs/dbraw/zinc/31/13/55/130311355.db2.gz OXFWPJJPQFIZHZ-HOGKFDNTSA-N -1 1 464.474 4.025 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000102804040 130311905 /nfs/dbraw/zinc/31/19/05/130311905.db2.gz LAYWULZCFOBBEF-IBOXJLQUSA-N -1 1 472.906 4.419 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccccc2F)nc1C ZINC000102805604 130312956 /nfs/dbraw/zinc/31/29/56/130312956.db2.gz QHTOVTQBBITGJN-UYTDBDHRSA-N -1 1 472.519 4.455 50 30 JIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102879518 130354707 /nfs/dbraw/zinc/35/47/07/130354707.db2.gz IXSTYQUZLWWDEK-GHNGSUTGSA-N -1 1 451.460 4.076 50 30 JIEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nncs3)[C@H]2c2cccc(Br)c2)cc1 ZINC000102883560 130363742 /nfs/dbraw/zinc/36/37/42/130363742.db2.gz CEQDWPOOPZHUEC-UYTDBDHRSA-N -1 1 456.321 4.235 50 30 JIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000102884297 130365626 /nfs/dbraw/zinc/36/56/26/130365626.db2.gz DGJHWZNPSABGEI-YDJIHCHBSA-N -1 1 450.516 4.403 50 30 JIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cccc(OC)c2)cc1 ZINC000102884298 130365643 /nfs/dbraw/zinc/36/56/43/130365643.db2.gz DGJHWZNPSABGEI-NHFXJNLRSA-N -1 1 450.516 4.403 50 30 JIEAMM C=CCN1c2ccc([N-]S(=O)(=O)c3ccc(OCC(C)C)cc3)cc2OCC(C)(C)C1=O ZINC000009167221 518876057 /nfs/dbraw/zinc/87/60/57/518876057.db2.gz YTTAYYVTWJBEKE-UHFFFAOYSA-N -1 1 458.580 4.460 50 30 JIEAMM COC(=O)COc1cc(-c2ccccc2)nc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc21 ZINC000033292697 523218062 /nfs/dbraw/zinc/21/80/62/523218062.db2.gz CPYBYXGGUGGODZ-UHFFFAOYSA-N -1 1 473.510 4.126 50 30 JIEAMM CC(C)Oc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102368857 534968611 /nfs/dbraw/zinc/96/86/11/534968611.db2.gz FNDNDGNNWIOOQO-HOGKFDNTSA-N -1 1 459.458 4.403 50 30 JIEAMM COc1ccc(Cl)cc1C(=O)C1=C([O-])C(=O)N(c2nnc(C)s2)[C@@H]1c1cccc(F)c1 ZINC000102748370 536545752 /nfs/dbraw/zinc/54/57/52/536545752.db2.gz FDVNYFASVUINII-GROYHEBESA-N -1 1 459.886 4.274 50 30 JIEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Br)c2)c1 ZINC000102717498 537073512 /nfs/dbraw/zinc/07/35/12/537073512.db2.gz WDYVLRILRJRJCW-WOOAAIBNSA-N -1 1 469.291 4.380 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccccc2F)nc1C ZINC000001481268 553977360 /nfs/dbraw/zinc/97/73/60/553977360.db2.gz HWVKQBHHIVCJPP-KRWDZBQOSA-N -1 1 470.453 4.299 50 30 JIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000008737996 554639511 /nfs/dbraw/zinc/63/95/11/554639511.db2.gz HGTNDHLLHMTTOV-JOCHJYFZSA-N -1 1 494.500 4.190 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3cccc(OC)c3)[C@H]2c2ccccc2)nc1C ZINC000008742982 554645631 /nfs/dbraw/zinc/64/56/31/554645631.db2.gz BFNDSSMLUWIPTL-GOSISDBHSA-N -1 1 464.499 4.030 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OC)c3)[C@H]2c2ccccc2)nc1C ZINC000008742982 554645633 /nfs/dbraw/zinc/64/56/33/554645633.db2.gz BFNDSSMLUWIPTL-GOSISDBHSA-N -1 1 464.499 4.030 50 30 JIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008894866 554784482 /nfs/dbraw/zinc/78/44/82/554784482.db2.gz YVDWVUBCFDZVAZ-NRFANRHFSA-N -1 1 461.430 4.239 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc(C)cc2)nc1C ZINC000008996398 554857020 /nfs/dbraw/zinc/85/70/20/554857020.db2.gz INCDUCCQRKXEEX-QGZVFWFLSA-N -1 1 452.488 4.231 50 30 JIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccccc2F)s1 ZINC000009541721 555334372 /nfs/dbraw/zinc/33/43/72/555334372.db2.gz BUYBRCKGSKNPEL-JEOXALJRSA-N -1 1 451.479 4.092 50 30 JIEAMM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000013571225 555509644 /nfs/dbraw/zinc/50/96/44/555509644.db2.gz NOTWNRINUAPJNR-HSZRJFAPSA-N -1 1 476.485 4.348 50 30 JIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000013571225 555509645 /nfs/dbraw/zinc/50/96/45/555509645.db2.gz NOTWNRINUAPJNR-HSZRJFAPSA-N -1 1 476.485 4.348 50 30 JIEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nncs3)[C@H]2c2cccc(Br)c2)cc1 ZINC000017784516 556266562 /nfs/dbraw/zinc/26/65/62/556266562.db2.gz TWQCAOFVLFRDKU-INIZCTEOSA-N -1 1 456.321 4.392 50 30 JIEAMM COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH]nc(C)c2[C@@H]3c2ccc(C(=O)[O-])cc2)cc1OC ZINC000018199492 556306907 /nfs/dbraw/zinc/30/69/07/556306907.db2.gz MYOFKIVAODJDOG-SBUREZEXSA-N -1 1 459.502 4.392 50 30 JIEAMM C=CCOc1cccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)c1 ZINC000096221509 569739144 /nfs/dbraw/zinc/73/91/44/569739144.db2.gz CAGGLHMOTXLLIA-MRXNPFEDSA-N -1 1 488.448 4.288 50 30 biogenic JIEAMM CCCCCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CCNC(C)=O)cc2)cc1 ZINC000098005825 569749517 /nfs/dbraw/zinc/74/95/17/569749517.db2.gz KVPJVPXLUOAIDJ-UHFFFAOYSA-N -1 1 460.596 4.293 50 30 JIEAMM O=C(C=C([O-])C(=O)Nc1cccc(Cl)c1)c1ccc(NC2=CC(=O)C(=O)c3ccccc32)cc1 ZINC000100721522 569767643 /nfs/dbraw/zinc/76/76/43/569767643.db2.gz TXTCVDGUBAULDH-UHFFFAOYSA-N -1 1 472.884 4.339 50 30 JIEAMM C[C@H]1CN(c2ccc(C(F)(F)F)cc2NC(=O)[N-]S(=O)(=O)c2ccccc2F)C[C@H](C)O1 ZINC000036489948 569776351 /nfs/dbraw/zinc/77/63/51/569776351.db2.gz JQCIBECHAXDELD-STQMWFEESA-N -1 1 475.464 4.173 50 30 JIEAMM C[C@H]1CN(c2ccc(C(F)(F)F)cc2NC([O-])=NS(=O)(=O)c2ccccc2F)C[C@H](C)O1 ZINC000036489948 569776352 /nfs/dbraw/zinc/77/63/52/569776352.db2.gz JQCIBECHAXDELD-STQMWFEESA-N -1 1 475.464 4.173 50 30 JIEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cn2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000101087248 569782053 /nfs/dbraw/zinc/78/20/53/569782053.db2.gz KXQKHVZVUIXGJN-WOOAAIBNSA-N -1 1 480.274 4.379 50 30 JIEAMM CC(=O)Nc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2F)cc1 ZINC000101502798 569801024 /nfs/dbraw/zinc/80/10/24/569801024.db2.gz PTMLWDRYLIJHQL-HOGKFDNTSA-N -1 1 475.432 4.319 50 30 JIEAMM Cc1nc2[n-]c(N(Cc3cccc(C#N)c3)C(=O)c3ccc(F)cc3)nn2c(=O)c1Cc1ccccc1 ZINC000101878434 569806900 /nfs/dbraw/zinc/80/69/00/569806900.db2.gz BSIRHOTZJBXLMA-UHFFFAOYSA-N -1 1 492.514 4.175 50 30 JIEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000102368870 130122533 /nfs/dbraw/zinc/12/25/33/130122533.db2.gz VMJSQNAKRCOKOW-MRJHHRETSA-N -1 1 463.446 4.305 50 30 JIEAMM COc1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc(C)c(C)s2)cc1OC ZINC000102489960 130143857 /nfs/dbraw/zinc/14/38/57/130143857.db2.gz BDGWHEONHSFJGH-GHNGSUTGSA-N -1 1 456.545 4.465 50 30 JIEAMM COc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc(C)c(C)s2)cc1OC ZINC000102489960 130143861 /nfs/dbraw/zinc/14/38/61/130143861.db2.gz BDGWHEONHSFJGH-GHNGSUTGSA-N -1 1 456.545 4.465 50 30 JIEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCCCC(=O)[O-])cc1OC ZINC000102540047 130194829 /nfs/dbraw/zinc/19/48/29/130194829.db2.gz PTRDVZBNFRXXIF-MOBKVPTQSA-N -1 1 487.936 4.424 50 30 JIEAMM COc1cc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cc(C)on2)cc(Br)c1O ZINC000102570675 130213539 /nfs/dbraw/zinc/21/35/39/130213539.db2.gz QXCOTZXKHYUXJJ-SELCWUDQSA-N -1 1 485.290 4.086 50 30 JIEAMM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nccs2)cc1OC ZINC000102607945 130222966 /nfs/dbraw/zinc/22/29/66/130222966.db2.gz ZCGAMLBESWIQRN-RQBWANKVSA-N -1 1 478.526 4.110 50 30 JIEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nccs2)cc1OC ZINC000102607945 130222969 /nfs/dbraw/zinc/22/29/69/130222969.db2.gz ZCGAMLBESWIQRN-RQBWANKVSA-N -1 1 478.526 4.110 50 30 JIEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000102674047 130235370 /nfs/dbraw/zinc/23/53/70/130235370.db2.gz LMUUSAYYUAWVSM-LNMXKIQISA-N -1 1 463.471 4.001 50 30 JIEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000102704268 130249842 /nfs/dbraw/zinc/24/98/42/130249842.db2.gz QSEFQENQHRDETN-MOBKVPTQSA-N -1 1 476.485 4.185 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000102727894 130272116 /nfs/dbraw/zinc/27/21/16/130272116.db2.gz JXVRYFQBDUILDZ-UYTDBDHRSA-N -1 1 472.906 4.419 50 30 JIEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1OC ZINC000102728164 130272536 /nfs/dbraw/zinc/27/25/36/130272536.db2.gz ZYTGUVSVTLWRLL-HOGKFDNTSA-N -1 1 464.474 4.025 50 30 JIEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000102728164 130272540 /nfs/dbraw/zinc/27/25/40/130272540.db2.gz ZYTGUVSVTLWRLL-HOGKFDNTSA-N -1 1 464.474 4.025 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000102733619 130278024 /nfs/dbraw/zinc/27/80/24/130278024.db2.gz IMCZPPSKZJDOJD-GHNGSUTGSA-N -1 1 466.515 4.464 50 30 JIEAMM COc1ccc(F)cc1C(=O)C1=C([O-])C(=O)N(c2nnc(C)s2)[C@@H]1c1cccc(Cl)c1 ZINC000102736362 130280563 /nfs/dbraw/zinc/28/05/63/130280563.db2.gz PWEBUZBFEMOVOT-GROYHEBESA-N -1 1 459.886 4.274 50 30 JIEAMM COc1cccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nc(C)c(C)s2)c1OC ZINC000102860860 130331855 /nfs/dbraw/zinc/33/18/55/130331855.db2.gz SXMMEJZXCOJQBR-GROYHEBESA-N -1 1 456.545 4.465 50 30 JIEAMM COc1cccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc(C)c(C)s2)c1OC ZINC000102860860 130331859 /nfs/dbraw/zinc/33/18/59/130331859.db2.gz SXMMEJZXCOJQBR-GROYHEBESA-N -1 1 456.545 4.465 50 30 JIEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccco2)cc1 ZINC000102862115 130333163 /nfs/dbraw/zinc/33/31/63/130333163.db2.gz VHTHJHDPRGSCDZ-SELCWUDQSA-N -1 1 482.514 4.246 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2cccs2)nc1C ZINC000102865930 130339188 /nfs/dbraw/zinc/33/91/88/130339188.db2.gz WJLXJOSVLBKNBH-UYTDBDHRSA-N -1 1 454.529 4.316 50 30 JIEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000102886918 130367691 /nfs/dbraw/zinc/36/76/91/130367691.db2.gz FWPAIFHVUFFYBE-AYWGPLOBSA-N -1 1 494.500 4.034 50 30 JIEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000102896106 130377912 /nfs/dbraw/zinc/37/79/12/130377912.db2.gz BQFGPGVIETZJNH-HOGKFDNTSA-N -1 1 464.474 4.112 50 30 JIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000102896106 130377916 /nfs/dbraw/zinc/37/79/16/130377916.db2.gz BQFGPGVIETZJNH-HOGKFDNTSA-N -1 1 464.474 4.112 50 30 JIEAMM CC1(C)SC(=S)N(/N=C/c2ccc([N+](=O)[O-])cc2)[C@H]1N([O-])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000008951449 520617324 /nfs/dbraw/zinc/61/73/24/520617324.db2.gz OBIGHELMDKGMKK-YODDIOPGSA-N -1 1 490.523 4.199 50 30 JIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccco2)cc1 ZINC000009339488 520879990 /nfs/dbraw/zinc/87/99/90/520879990.db2.gz DUEABONBODTLLN-KRWDZBQOSA-N -1 1 468.487 4.013 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccco2)nc1C ZINC000009271173 521611787 /nfs/dbraw/zinc/61/17/87/521611787.db2.gz SGPLOKPVJXJLJU-GOSISDBHSA-N -1 1 482.514 4.321 50 30 JIEAMM CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cc(OC)c(OC)c(OC)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000016286402 521783986 /nfs/dbraw/zinc/78/39/86/521783986.db2.gz AWIFJDYMSFFQSY-KRWDZBQOSA-N -1 1 471.579 4.108 50 30 JIEAMM Cc1cc(C)c(C(=O)C2=C([O-])C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000015768993 524218157 /nfs/dbraw/zinc/21/81/57/524218157.db2.gz TYGRNDKPKHXSEH-QHCPKHFHSA-N -1 1 494.544 4.181 50 30 JIEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000001481193 553977323 /nfs/dbraw/zinc/97/73/23/553977323.db2.gz IQFAVUYCHBQPSB-GOSISDBHSA-N -1 1 482.514 4.321 50 30 JIEAMM CC([O-])=C(N=Nc1c(Br)cc(Br)cc1Br)C(=O)C(F)(F)F ZINC000002171751 554076929 /nfs/dbraw/zinc/07/69/29/554076929.db2.gz JEARSHYIUVOOAN-LSCVHKIXSA-N -1 1 494.887 4.462 50 30 JIEAMM CC(=O)C(=N[N-]c1c(Br)cc(Br)cc1Br)C(=O)C(F)(F)F ZINC000002171751 554076930 /nfs/dbraw/zinc/07/69/30/554076930.db2.gz JEARSHYIUVOOAN-LSCVHKIXSA-N -1 1 494.887 4.462 50 30 JIEAMM C=CCN1C(=O)/C(=C/c2cc(C)n(-c3sc4c(c3C(=O)OCC)CCCC4)c2C)C(=O)[N-]C1=S ZINC000002247135 554112225 /nfs/dbraw/zinc/11/22/25/554112225.db2.gz WLMOLZKZPBJXAJ-QGOAFFKASA-N -1 1 497.642 4.024 50 30 JIEAMM O=C([O-])CCCCCN1C(=O)C(=O)C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000006460109 554542165 /nfs/dbraw/zinc/54/21/65/554542165.db2.gz FUMITUUBPRRAAL-HXUWFJFHSA-N -1 1 472.881 4.472 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000008738113 554639829 /nfs/dbraw/zinc/63/98/29/554639829.db2.gz BVLZGXSJBNUHTJ-SFHVURJKSA-N -1 1 482.514 4.321 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccccc2F)nc1C ZINC000008738557 554640147 /nfs/dbraw/zinc/64/01/47/554640147.db2.gz HCZSUVZZLOISDH-KRWDZBQOSA-N -1 1 470.478 4.452 50 30 JIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000008741043 554643181 /nfs/dbraw/zinc/64/31/81/554643181.db2.gz WBBLAVGCIDQJQI-HXUWFJFHSA-N -1 1 454.866 4.437 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccccc2F)nc1C ZINC000008779280 554676224 /nfs/dbraw/zinc/67/62/24/554676224.db2.gz ZZHPFKGGIPRCPM-HNNXBMFYSA-N -1 1 458.492 4.222 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(F)cc2)nc1C ZINC000008837183 554737800 /nfs/dbraw/zinc/73/78/00/554737800.db2.gz BBCOYOWEUVQYJP-LJQANCHMSA-N -1 1 496.516 4.477 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OC)c3)[C@H]2c2cccs2)nc1C ZINC000008895389 554785102 /nfs/dbraw/zinc/78/51/02/554785102.db2.gz WLPZLYAIUZXBOU-MRXNPFEDSA-N -1 1 470.528 4.091 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(F)cc2)nc1C ZINC000013570528 555508832 /nfs/dbraw/zinc/50/88/32/555508832.db2.gz BAUBRLUZSULGLV-GOSISDBHSA-N -1 1 482.489 4.169 50 30 JIEAMM COc1ccc(Nc2nc(N=NCc3cccc([N+](=O)[O-])c3[O-])nc(Nc3ccccc3)n2)cc1 ZINC000020074199 555628062 /nfs/dbraw/zinc/62/80/62/555628062.db2.gz UKPSNGZENCVVKE-ZVHZXABRSA-N -1 1 472.465 4.427 50 30 JIEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000101100178 569782708 /nfs/dbraw/zinc/78/27/08/569782708.db2.gz QHBMFMXVYLKODM-SELCWUDQSA-N -1 1 450.292 4.174 50 30 JIEAMM C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000101293843 569789824 /nfs/dbraw/zinc/78/98/24/569789824.db2.gz QPEFKYNJZMALEY-AYWGPLOBSA-N -1 1 460.486 4.491 50 30 JIEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000101293847 569789856 /nfs/dbraw/zinc/78/98/56/569789856.db2.gz QPEFKYNJZMALEY-ZHHPLPSFSA-N -1 1 460.486 4.491 50 30 JIEAMM C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nccs2)c1 ZINC000101313902 569792387 /nfs/dbraw/zinc/79/23/87/569792387.db2.gz DSJHEWNKMAMIJO-JBCNATCCSA-N -1 1 476.510 4.105 50 30 JIEAMM Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCC(=O)[O-])[C@H]2c2ccc(Br)cc2)cc1 ZINC000102861408 569825006 /nfs/dbraw/zinc/82/50/06/569825006.db2.gz ANYVERMSGKFWJL-WOOAAIBNSA-N -1 1 458.308 4.044 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccccc2F)nc1C ZINC000102866677 569825864 /nfs/dbraw/zinc/82/58/64/569825864.db2.gz WVOHCXYKQXVFGL-GHNGSUTGSA-N -1 1 482.489 4.012 50 30 JIEAMM COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000104082804 569840510 /nfs/dbraw/zinc/84/05/10/569840510.db2.gz SWIZCIPHBXHUKS-JBCNATCCSA-N -1 1 475.413 4.138 50 30 JIEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000102368996 130123227 /nfs/dbraw/zinc/12/32/27/130123227.db2.gz HLMJYCKFFOTLMY-JBCNATCCSA-N -1 1 463.446 4.305 50 30 JIEAMM COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000102491076 130145340 /nfs/dbraw/zinc/14/53/40/130145340.db2.gz PUSJGWSAQVCFKS-LFVOPCPISA-N -1 1 454.479 4.240 50 30 JIEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102492643 130147203 /nfs/dbraw/zinc/14/72/03/130147203.db2.gz MMDSPOXEWRRQKK-MOBKVPTQSA-N -1 1 459.458 4.405 50 30 JIEAMM COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000102512328 130166137 /nfs/dbraw/zinc/16/61/37/130166137.db2.gz QTIBPTPGXAACRE-YDJIHCHBSA-N -1 1 450.516 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/nfs/dbraw/zinc/47/29/23/520472923.db2.gz USXDKRVORDCZNT-NRFANRHFSA-N -1 1 478.526 4.486 50 30 JIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009236791 520883647 /nfs/dbraw/zinc/88/36/47/520883647.db2.gz VZVXWPVKRFMIJU-FQEVSTJZSA-N -1 1 466.515 4.342 50 30 JIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(C(C)C)s3)[C@@H]2c2cccnc2)cc1 ZINC000016266370 520884781 /nfs/dbraw/zinc/88/47/81/520884781.db2.gz LKWFPTFNIVBNQD-GOSISDBHSA-N -1 1 450.520 4.238 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000009174459 521611273 /nfs/dbraw/zinc/61/12/73/521611273.db2.gz BAYHLJUQUAAWMY-GOSISDBHSA-N -1 1 493.497 4.319 50 30 JIEAMM COC(=O)COc1cc(-c2ccc(C)cc2)nc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc21 ZINC000033292720 523216395 /nfs/dbraw/zinc/21/63/95/523216395.db2.gz PXKDFEBEIQLRRU-UHFFFAOYSA-N -1 1 487.537 4.435 50 30 JIEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(C)=O)s3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000016729738 523569208 /nfs/dbraw/zinc/56/92/08/523569208.db2.gz MSZOKDSEMBLQAR-LJQANCHMSA-N -1 1 464.499 4.151 50 30 JIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(C)=O)s3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000016729738 523569214 /nfs/dbraw/zinc/56/92/14/523569214.db2.gz MSZOKDSEMBLQAR-LJQANCHMSA-N -1 1 464.499 4.151 50 30 JIEAMM Cc1cccc(C2=NC(C(F)(F)F)(C(F)(F)F)c3c(=O)[n-]c(=O)n(-c4ccc(F)cc4)c3N2)c1 ZINC000012462752 524334467 /nfs/dbraw/zinc/33/44/67/524334467.db2.gz BRBFGWMPLCCHKY-UHFFFAOYSA-N -1 1 486.347 4.166 50 30 JIEAMM CC(C)Oc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000102368921 534968912 /nfs/dbraw/zinc/96/89/12/534968912.db2.gz DBIRNBOFVDNYTB-AYWGPLOBSA-N -1 1 458.470 4.224 50 30 JIEAMM CC(C)Oc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000102368921 534968915 /nfs/dbraw/zinc/96/89/15/534968915.db2.gz DBIRNBOFVDNYTB-AYWGPLOBSA-N -1 1 458.470 4.224 50 30 JIEAMM COc1ccc(-c2csc(-c3c([O-])cn(N=Cc4cc(OC)c(OC)c(OC)c4)c3N)n2)cc1 ZINC000102719649 536498435 /nfs/dbraw/zinc/49/84/35/536498435.db2.gz RKBSIWOCYCJKPN-IDADWYQSSA-N -1 1 480.546 4.441 50 30 JIEAMM O=C(c1ccc(Br)cc1)c1c([O-])cc(-c2ccc(Br)cc2)oc1=O ZINC000001043944 553901380 /nfs/dbraw/zinc/90/13/80/553901380.db2.gz DIYPUVSHRBGZEP-MRXNPFEDSA-N -1 1 450.082 4.178 50 30 JIEAMM COc1ccc(C=Nn2c(C)n[n-]c2=S)cc1COc1ccc(I)cc1 ZINC000002791204 554346823 /nfs/dbraw/zinc/34/68/23/554346823.db2.gz VHIOURYIYZAHPD-KEBDBYFISA-N -1 1 480.331 4.324 50 30 JIEAMM COCc1cc(C)nc(NN=Cc2cc(Br)cc(Br)c2[O-])c1C#N ZINC000006177738 554515356 /nfs/dbraw/zinc/51/53/56/554515356.db2.gz XWYJRHDRJOSLAW-IFRROFPPSA-N -1 1 454.122 4.085 50 30 JIEAMM O=C(C1=C([O-])C(=O)N(c2cccnc2)[C@H]1c1ccc2c(c1)OCO2)c1ccc(Br)cc1 ZINC000006445240 554539602 /nfs/dbraw/zinc/53/96/02/554539602.db2.gz NGFILRLPQNGEKP-FQEVSTJZSA-N -1 1 479.286 4.356 50 30 JIEAMM O=C(C1=C([O-])C(=O)N(c2nncs2)[C@H]1c1cccc(Br)c1)c1ccc(F)cc1 ZINC000008816966 554699233 /nfs/dbraw/zinc/69/92/33/554699233.db2.gz HRZBGMXZWFINQR-HNNXBMFYSA-N -1 1 460.284 4.223 50 30 JIEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000008996875 554858200 /nfs/dbraw/zinc/85/82/00/554858200.db2.gz IVSHDPLGVPSZTB-OAQYLSRUSA-N -1 1 463.446 4.461 50 30 JIEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000008996925 554858218 /nfs/dbraw/zinc/85/82/18/554858218.db2.gz UEYZSCUWGMKWRW-JOCHJYFZSA-N -1 1 464.474 4.182 50 30 JIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000008996925 554858219 /nfs/dbraw/zinc/85/82/19/554858219.db2.gz UEYZSCUWGMKWRW-JOCHJYFZSA-N -1 1 464.474 4.182 50 30 JIEAMM Cn1c2ccc(S(=O)(=O)[N-]c3ccc([C@H](C#N)c4ccccc4)c(Cl)c3)cc2oc1=O ZINC000012941717 556155030 /nfs/dbraw/zinc/15/50/30/556155030.db2.gz FGZATTWMWVJHPU-GOSISDBHSA-N -1 1 453.907 4.241 50 30 JIEAMM C=CCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)[n-]c(=O)c32)cc1OC ZINC000086057239 569717177 /nfs/dbraw/zinc/71/71/77/569717177.db2.gz IRVYDMHEFHPQAV-GOSISDBHSA-N -1 1 463.559 4.418 50 30 JIEAMM C=CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2nc(SCc3ccc(F)cc3)[n-]c(=O)c21 ZINC000086057788 569717580 /nfs/dbraw/zinc/71/75/80/569717580.db2.gz FFKPLZNKSQWFMG-KRWDZBQOSA-N -1 1 467.522 4.249 50 30 JIEAMM C=CCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[n-]c(=O)c32)cc1OC ZINC000086057752 569717609 /nfs/dbraw/zinc/71/76/09/569717609.db2.gz IBRIIZDAPCXSBM-QGZVFWFLSA-N -1 1 467.522 4.249 50 30 JIEAMM C=CCOc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)cc1 ZINC000096222381 569739484 /nfs/dbraw/zinc/73/94/84/569739484.db2.gz XECFYVKJLIHSSM-INIZCTEOSA-N -1 1 488.448 4.288 50 30 biogenic JIEAMM COc1cc([C@H]2c3c(=O)[n-]c(SCc4ccccc4F)nc3NC3=C2C(=O)CCC3)ccc1O ZINC000100885227 569774246 /nfs/dbraw/zinc/77/42/46/569774246.db2.gz RGLRJDQMSUJQLQ-HXUWFJFHSA-N -1 1 479.533 4.480 50 30 JIEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cn2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000101087249 569781997 /nfs/dbraw/zinc/78/19/97/569781997.db2.gz KXQKHVZVUIXGJN-LFVOPCPISA-N -1 1 480.274 4.379 50 30 JIEAMM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000101287065 569789386 /nfs/dbraw/zinc/78/93/86/569789386.db2.gz RBVKWSGLPAHDLZ-ZHHPLPSFSA-N -1 1 476.485 4.191 50 30 JIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000101287065 569789387 /nfs/dbraw/zinc/78/93/87/569789387.db2.gz RBVKWSGLPAHDLZ-ZHHPLPSFSA-N -1 1 476.485 4.191 50 30 JIEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nccs2)c1 ZINC000101313904 569792414 /nfs/dbraw/zinc/79/24/14/569792414.db2.gz DSJHEWNKMAMIJO-MRJHHRETSA-N -1 1 476.510 4.105 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)cc3)[C@@H]2c2ccco2)nc1C ZINC000102931211 569828248 /nfs/dbraw/zinc/82/82/48/569828248.db2.gz LYOSLIDNQYXIQK-GHNGSUTGSA-N -1 1 482.514 4.246 50 30 JIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102933352 569829040 /nfs/dbraw/zinc/82/90/40/569829040.db2.gz RUTNKDKVVUTEFD-JBCNATCCSA-N -1 1 480.542 4.412 50 30 JIEAMM COC(=O)C[C@H](c1cccnc1)c1c2c(ccc1[O-])C(=O)/C(=C/c1cc(OC)c(OC)cc1OC)O2 ZINC000218110187 569882694 /nfs/dbraw/zinc/88/26/94/569882694.db2.gz OJEVINCSFPLQBQ-TXAUKBGOSA-N -1 1 491.496 4.124 50 30 biogenic JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc(F)cc2)nc1C ZINC000001153827 194051890 /nfs/dbraw/zinc/05/18/90/194051890.db2.gz LIYCQLSOUOZORW-MRXNPFEDSA-N -1 1 456.451 4.062 50 30 JIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000102543717 130199868 /nfs/dbraw/zinc/19/98/68/130199868.db2.gz UYWKCNLFYDZTEY-MRJHHRETSA-N -1 1 480.542 4.499 50 30 JIEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000102705325 130251252 /nfs/dbraw/zinc/25/12/52/130251252.db2.gz KLZSJFRPTIXXSO-LFVOPCPISA-N -1 1 452.850 4.049 50 30 JIEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102724279 130268992 /nfs/dbraw/zinc/26/89/92/130268992.db2.gz DMIRRFAYNSWMTP-JBCNATCCSA-N -1 1 463.446 4.306 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccccc2F)nc1C ZINC000102726761 130271111 /nfs/dbraw/zinc/27/11/11/130271111.db2.gz FKNHWSJHTDERKP-GROYHEBESA-N -1 1 470.453 4.143 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2ccc(OC)cc2)nc1C ZINC000102729764 130273858 /nfs/dbraw/zinc/27/38/58/130273858.db2.gz KXRBMVLMFHOXIM-LFVOPCPISA-N -1 1 478.526 4.181 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(OC)cc2)nc1C ZINC000102729764 130273861 /nfs/dbraw/zinc/27/38/61/130273861.db2.gz KXRBMVLMFHOXIM-LFVOPCPISA-N -1 1 478.526 4.181 50 30 JIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000102877282 130350483 /nfs/dbraw/zinc/35/04/83/130350483.db2.gz AWQRTWQOBGPQPT-NHFXJNLRSA-N -1 1 466.515 4.109 50 30 JIEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102881520 130358709 /nfs/dbraw/zinc/35/87/09/130358709.db2.gz DABSUKRXVBLLPF-HOGKFDNTSA-N -1 1 459.458 4.405 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C)o2)nc1C ZINC000102882545 130361459 /nfs/dbraw/zinc/36/14/59/130361459.db2.gz MRUVTOQHIYEOQF-SELCWUDQSA-N -1 1 466.515 4.464 50 30 JIEAMM C=CCc1cc(C=C2C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(OC)c1OCC(=O)[O-] ZINC000033149463 519123741 /nfs/dbraw/zinc/12/37/41/519123741.db2.gz USCAZKBPMRKHHR-XDHOZWIPSA-N -1 1 480.542 4.121 50 30 JIEAMM C=CCn1c(Cc2csc(NC(=O)c3cc(Cl)c(OCC)c(OC)c3)n2)n[n-]c1=S ZINC000026042788 519193073 /nfs/dbraw/zinc/19/30/73/519193073.db2.gz NPIRFKAGADVGAE-UHFFFAOYSA-N -1 1 465.988 4.487 50 30 JIEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000012468590 520331168 /nfs/dbraw/zinc/33/11/68/520331168.db2.gz OSFWQVSVWAXTBR-JOCHJYFZSA-N -1 1 476.485 4.341 50 30 JIEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCCCC(=O)[O-])cc1 ZINC000009993288 521236019 /nfs/dbraw/zinc/23/60/19/521236019.db2.gz JEDBKUVQIXKJPX-JOCHJYFZSA-N -1 1 455.482 4.448 50 30 JIEAMM COC(=O)c1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CCC(=O)[O-])cc1 ZINC000009425326 522174556 /nfs/dbraw/zinc/17/45/56/522174556.db2.gz HZPJOMDXGVJKKX-VWLOTQADSA-N -1 1 476.529 4.481 50 30 JIEAMM COc1ccc(NC(=NC(=O)c2ccccc2)Nc2nc(C)c(Cc3ccccc3)c(=O)[n-]2)cc1 ZINC000009465701 524377209 /nfs/dbraw/zinc/37/72/09/524377209.db2.gz RMEMIAQDGNNFDY-UHFFFAOYSA-N -1 1 467.529 4.398 50 30 JIEAMM COc1ccc([C@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nccs2)cc1OC ZINC000009330058 525390055 /nfs/dbraw/zinc/39/00/55/525390055.db2.gz HUKRACHZKYENJW-ZSEKCTLFSA-N -1 1 478.526 4.267 50 30 JIEAMM COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nccs2)cc1OC ZINC000009330058 525390059 /nfs/dbraw/zinc/39/00/59/525390059.db2.gz HUKRACHZKYENJW-ZSEKCTLFSA-N -1 1 478.526 4.267 50 30 JIEAMM COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000009380559 525392240 /nfs/dbraw/zinc/39/22/40/525392240.db2.gz QKJWFCODHHCCQK-QFIPXVFZSA-N -1 1 460.442 4.395 50 30 JIEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000009124268 526272481 /nfs/dbraw/zinc/27/24/81/526272481.db2.gz WYXBXKJVLINGDA-GOSISDBHSA-N -1 1 454.891 4.351 50 30 JIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)s1 ZINC000009271587 526354849 /nfs/dbraw/zinc/35/48/49/526354849.db2.gz GKSUCFCMNLPNDZ-IBGZPJMESA-N -1 1 480.502 4.325 50 30 JIEAMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(OCc3nnc(-c4ccc(F)cc4)o3)cc2)c1 ZINC000033308211 526732733 /nfs/dbraw/zinc/73/27/33/526732733.db2.gz OPCGJQVGRCUDLP-UHFFFAOYSA-N -1 1 450.451 4.127 50 30 JIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(OC)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102523383 536561524 /nfs/dbraw/zinc/56/15/24/536561524.db2.gz ZRVSZEQWTGRQKU-RKKARLDVSA-N -1 1 460.442 4.238 50 30 JIEAMM COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc(OC)c1OC ZINC000102701770 536884414 /nfs/dbraw/zinc/88/44/14/536884414.db2.gz XFSSVXPMPIBDOL-NHFXJNLRSA-N -1 1 484.892 4.289 50 30 JIEAMM C=CCn1c(SCC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)nnc1-c1ccncc1 ZINC000001147830 553916427 /nfs/dbraw/zinc/91/64/27/553916427.db2.gz WHQWBWOZVFVSPK-UHFFFAOYSA-N -1 1 491.598 4.302 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2F)nc1C ZINC000001155480 553918700 /nfs/dbraw/zinc/91/87/00/553918700.db2.gz PGSQFENQPNHADY-KRWDZBQOSA-N -1 1 452.463 4.160 50 30 JIEAMM CC(C)Oc1ccc(C([O-])=C2C(=O)C(=O)N(c3cccnc3)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000001481169 553977346 /nfs/dbraw/zinc/97/73/46/553977346.db2.gz YQNZLNDHNVGQJC-HSZRJFAPSA-N -1 1 458.470 4.380 50 30 JIEAMM CC(C)Oc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccnc3)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000001481169 553977347 /nfs/dbraw/zinc/97/73/47/553977347.db2.gz YQNZLNDHNVGQJC-HSZRJFAPSA-N -1 1 458.470 4.380 50 30 JIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000008737995 554639451 /nfs/dbraw/zinc/63/94/51/554639451.db2.gz HGTNDHLLHMTTOV-QFIPXVFZSA-N -1 1 494.500 4.190 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc(OC)cc2)nc1C ZINC000008738112 554639454 /nfs/dbraw/zinc/63/94/54/554639454.db2.gz BVLZGXSJBNUHTJ-GOSISDBHSA-N -1 1 482.514 4.321 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000008739175 554640862 /nfs/dbraw/zinc/64/08/62/554640862.db2.gz NWGFJAVUDWKHTO-INIZCTEOSA-N -1 1 456.451 4.143 50 30 JIEAMM CC1(C)SC(=S)N(/N=C/c2cccs2)[C@@H]1N([O-])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000008817195 554699829 /nfs/dbraw/zinc/69/98/29/554699829.db2.gz CRJFADGEIIXCTC-YFEUJDIGSA-N -1 1 451.555 4.352 50 30 JIEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCCCC(=O)[O-])cc1OC ZINC000008856831 554753010 /nfs/dbraw/zinc/75/30/10/554753010.db2.gz LKTTWIKVNNJGAG-HSZRJFAPSA-N -1 1 467.518 4.236 50 30 JIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000008859558 554756068 /nfs/dbraw/zinc/75/60/68/554756068.db2.gz SZRFQEOAMRTGGY-GOSISDBHSA-N -1 1 451.460 4.151 50 30 JIEAMM 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C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2ccco2)cc1 ZINC000101288361 569789832 /nfs/dbraw/zinc/78/98/32/569789832.db2.gz HLHQSQKMAOTZRQ-WOOAAIBNSA-N -1 1 494.525 4.412 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000102856615 569824584 /nfs/dbraw/zinc/82/45/84/569824584.db2.gz OLOPZAUCCHAVQZ-GHNGSUTGSA-N -1 1 466.490 4.394 50 30 JIEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102931733 569828656 /nfs/dbraw/zinc/82/86/56/569828656.db2.gz HJOSUCBMGJWGBJ-LFVOPCPISA-N -1 1 477.454 4.432 50 30 JIEAMM CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000103858608 569838628 /nfs/dbraw/zinc/83/86/28/569838628.db2.gz UGGNVZAWEGVBBV-HOGKFDNTSA-N -1 1 472.453 4.398 50 30 JIEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000103858608 569838629 /nfs/dbraw/zinc/83/86/29/569838629.db2.gz UGGNVZAWEGVBBV-HOGKFDNTSA-N -1 1 472.453 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CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000102933409 569828995 /nfs/dbraw/zinc/82/89/95/569828995.db2.gz RXDQYHAILVDUTM-GROYHEBESA-N -1 1 497.485 4.064 50 30 JIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc(F)cc2)s1 ZINC000102368828 130122562 /nfs/dbraw/zinc/12/25/62/130122562.db2.gz PPCZYGOSPZZEOR-LFVOPCPISA-N -1 1 453.495 4.399 50 30 JIEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102492653 130147218 /nfs/dbraw/zinc/14/72/18/130147218.db2.gz MMDSPOXEWRRQKK-HOGKFDNTSA-N -1 1 459.458 4.405 50 30 JIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000102694926 130241612 /nfs/dbraw/zinc/24/16/12/130241612.db2.gz AAPNYPQVZJCMHT-HOGKFDNTSA-N -1 1 494.500 4.034 50 30 JIEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000102711924 130258248 /nfs/dbraw/zinc/25/82/48/130258248.db2.gz CGBWVACPUMNQDT-YDJIHCHBSA-N -1 1 499.317 4.389 50 30 JIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Br)cc2)cc1OC ZINC000102717341 130263654 /nfs/dbraw/zinc/26/36/54/130263654.db2.gz WGXXJEDJRYKHMI-NHFXJNLRSA-N -1 1 499.317 4.389 50 30 JIEAMM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000102725646 130270454 /nfs/dbraw/zinc/27/04/54/130270454.db2.gz XFIZMLPBBRYTME-ZHHPLPSFSA-N -1 1 478.501 4.415 50 30 JIEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000102725646 130270457 /nfs/dbraw/zinc/27/04/57/130270457.db2.gz XFIZMLPBBRYTME-ZHHPLPSFSA-N -1 1 478.501 4.415 50 30 JIEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000102729353 130273498 /nfs/dbraw/zinc/27/34/98/130273498.db2.gz BTIAXYYFFPFOBM-MRJHHRETSA-N -1 1 452.438 4.156 50 30 JIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccc(OC)c2OC)cc1Cl ZINC000102732809 130276624 /nfs/dbraw/zinc/27/66/24/130276624.db2.gz YTKCBLXPKZSMAV-NHFXJNLRSA-N -1 1 484.892 4.289 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(F)cc2)nc1C ZINC000102798516 130306943 /nfs/dbraw/zinc/30/69/43/130306943.db2.gz KEXFSWCEPARGPT-LFVOPCPISA-N -1 1 496.516 4.321 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000102798807 130307450 /nfs/dbraw/zinc/30/74/50/130307450.db2.gz KSHIMKUYJVQXSS-GHNGSUTGSA-N -1 1 493.497 4.081 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000102858528 130328824 /nfs/dbraw/zinc/32/88/24/130328824.db2.gz YKJANQMZLXTUPF-UYTDBDHRSA-N -1 1 499.526 4.224 50 30 JIEAMM C=CCN1c2ccc([N-]S(=O)(=O)c3ccc(NC(=O)CC)cc3C)cc2OCC(C)(C)C1=O ZINC000009167163 518875451 /nfs/dbraw/zinc/87/54/51/518875451.db2.gz DIVOLFKAMZUDNN-UHFFFAOYSA-N -1 1 471.579 4.082 50 30 JIEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000012468593 520330563 /nfs/dbraw/zinc/33/05/63/520330563.db2.gz OSFWQVSVWAXTBR-QFIPXVFZSA-N -1 1 476.485 4.341 50 30 JIEAMM CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(Br)c(Br)c1[O-] ZINC000009934766 520642990 /nfs/dbraw/zinc/64/29/90/520642990.db2.gz OWOYQCXGVGHGMQ-NGYBGAFCSA-N -1 1 460.082 4.065 50 30 JIEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccccc2)cc1 ZINC000009241021 520880728 /nfs/dbraw/zinc/88/07/28/520880728.db2.gz LERYSNNWKJFRJE-LJQANCHMSA-N -1 1 478.526 4.420 50 30 JIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccccc2)cc1 ZINC000009241021 520880738 /nfs/dbraw/zinc/88/07/38/520880738.db2.gz LERYSNNWKJFRJE-LJQANCHMSA-N -1 1 478.526 4.420 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(F)cc2)nc1C ZINC000009370769 522418784 /nfs/dbraw/zinc/41/87/84/522418784.db2.gz FMPMAKJVLSQQKS-GOSISDBHSA-N -1 1 466.490 4.469 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2cccc(OC)c2)nc1C ZINC000016730491 522419502 /nfs/dbraw/zinc/41/95/02/522419502.db2.gz HFYQSVKVIGZFGT-LJQANCHMSA-N -1 1 496.516 4.477 50 30 JIEAMM COc1ccc(C([O-])=Cc2nc3ccc(C(=O)NCCc4cccc(C)c4)cc3[nH]c2=O)cc1OC ZINC000015974284 523543732 /nfs/dbraw/zinc/54/37/32/523543732.db2.gz GRXXCEXSJJUBLU-KQWNVCNZSA-N -1 1 485.540 4.116 50 30 biogenic JIEAMM COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C([O-])C(=O)N2c2ccc(OC)cc2)cc1 ZINC000009320219 525221608 /nfs/dbraw/zinc/22/16/08/525221608.db2.gz YFVPNIZBGXEEMC-JOCHJYFZSA-N -1 1 460.442 4.395 50 30 JIEAMM COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000009380558 525223253 /nfs/dbraw/zinc/22/32/53/525223253.db2.gz QKJWFCODHHCCQK-JOCHJYFZSA-N -1 1 460.442 4.395 50 30 JIEAMM C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000009374623 525517654 /nfs/dbraw/zinc/51/76/54/525517654.db2.gz KQCVUMIUVRSSJS-CWTRNNRKSA-N -1 1 463.471 4.158 50 30 JIEAMM Cc1ccc([C@H]2c3c(=O)[n-]c(SCC(=O)NCc4ccccc4)nc3NC3=C2C(=O)CCC3)cc1 ZINC000004793418 526047526 /nfs/dbraw/zinc/04/75/26/526047526.db2.gz RZMQWMDDKZNJLT-JOCHJYFZSA-N -1 1 486.597 4.464 50 30 JIEAMM COc1ccc(Cl)cc1C(=O)C1=C([O-])C(=O)N(c2nnc(C)s2)[C@H]1c1cccc(F)c1 ZINC000102748372 536545682 /nfs/dbraw/zinc/54/56/82/536545682.db2.gz FDVNYFASVUINII-HVESIFNPSA-N -1 1 459.886 4.274 50 30 JIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000102711345 536569700 /nfs/dbraw/zinc/56/97/00/536569700.db2.gz QJQAHGUDAFIPEC-GHNGSUTGSA-N -1 1 456.285 4.418 50 30 JIEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Br)cc2)c1 ZINC000102690515 537073521 /nfs/dbraw/zinc/07/35/21/537073521.db2.gz WINUWBJRISWKPH-WOOAAIBNSA-N -1 1 469.291 4.380 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000001153099 553917377 /nfs/dbraw/zinc/91/73/77/553917377.db2.gz WEBLSTNWJOYMPJ-SFHVURJKSA-N -1 1 464.499 4.030 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000001153099 553917379 /nfs/dbraw/zinc/91/73/79/553917379.db2.gz WEBLSTNWJOYMPJ-SFHVURJKSA-N -1 1 464.499 4.030 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccccc2OC)nc1C ZINC000001153134 553917438 /nfs/dbraw/zinc/91/74/38/553917438.db2.gz AWYIWEYVODAHLR-LJQANCHMSA-N -1 1 494.525 4.038 50 30 JIEAMM COc1cccc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(C)s4)[C@@H]3c3cccc([N+](=O)[O-])c3)oc21 ZINC000006460037 554542122 /nfs/dbraw/zinc/54/21/22/554542122.db2.gz KGSBBCLDECLNNG-GOSISDBHSA-N -1 1 492.469 4.292 50 30 JIEAMM CCOc1ccc([C@@H]2C(=C([O-])c3cccc(OC)c3)C(=O)C(=O)N2c2cc(C)on2)cc1OC ZINC000006499114 554546939 /nfs/dbraw/zinc/54/69/39/554546939.db2.gz AXAZSKUPXPQRQI-JOCHJYFZSA-N -1 1 464.474 4.182 50 30 JIEAMM CCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000006499114 554546942 /nfs/dbraw/zinc/54/69/42/554546942.db2.gz AXAZSKUPXPQRQI-JOCHJYFZSA-N -1 1 464.474 4.182 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccc(C)cc2)nc1C ZINC000008914540 554807538 /nfs/dbraw/zinc/80/75/38/554807538.db2.gz WZGDFRNLVBXPJB-QGZVFWFLSA-N -1 1 452.488 4.313 50 30 JIEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@H]2c2cccc(Br)c2)cc1 ZINC000008914973 554808192 /nfs/dbraw/zinc/80/81/92/554808192.db2.gz OAMWQZYEEXZEKV-SFHVURJKSA-N -1 1 450.292 4.330 50 30 JIEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2cccc(O)c2)no1 ZINC000008996930 554858276 /nfs/dbraw/zinc/85/82/76/554858276.db2.gz BJVXETWLNLTKAD-SFHVURJKSA-N -1 1 455.264 4.234 50 30 JIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000009007706 554861026 /nfs/dbraw/zinc/86/10/26/554861026.db2.gz OBNKJWHTMNZDID-HXUWFJFHSA-N -1 1 466.515 4.266 50 30 JIEAMM N#Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)cc1 ZINC000009491728 555270123 /nfs/dbraw/zinc/27/01/23/555270123.db2.gz SQSDMFZGMUSFFL-UHFFFAOYSA-N -1 1 496.976 4.101 50 30 JIEAMM N#Cc1c2c(sc1NC(=O)COC(=O)c1cccc([N-]S(=O)(=O)c3ccccc3)c1)CCCC2 ZINC000009986826 555585791 /nfs/dbraw/zinc/58/57/91/555585791.db2.gz CASKWZFNTWZRFV-UHFFFAOYSA-N -1 1 495.582 4.095 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)cc3C)[C@H]2c2ccc(O)cc2)nc1C ZINC000017056347 556214457 /nfs/dbraw/zinc/21/44/57/556214457.db2.gz ALOZGIJOHKVJFO-LJQANCHMSA-N -1 1 494.525 4.044 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(O)cc2)nc1C ZINC000017056347 556214459 /nfs/dbraw/zinc/21/44/59/556214459.db2.gz ALOZGIJOHKVJFO-LJQANCHMSA-N -1 1 494.525 4.044 50 30 JIEAMM CCCCSc1nc2c(c(=O)[n-]1)[C@H](c1cc(OC)c(OC)c(OC)c1)C1=C(CCCC1=O)N2 ZINC000017271195 556249926 /nfs/dbraw/zinc/24/99/26/556249926.db2.gz JLNOCKVQKAOTMD-GOSISDBHSA-N -1 1 471.579 4.252 50 30 JIEAMM CCOc1cc(/C=N\[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc(Br)c1O ZINC000032573576 556445223 /nfs/dbraw/zinc/44/52/23/556445223.db2.gz GEIYVIUNAZJEIM-UWVJOHFNSA-N -1 1 468.156 4.173 50 30 JIEAMM CCc1nnc2c(Oc3cccc([N-]S(=O)(=O)c4cccc(C#N)c4)c3)nc3ccccc3n12 ZINC000065096502 569660999 /nfs/dbraw/zinc/66/09/99/569660999.db2.gz JBJMUVUNXLCCSB-UHFFFAOYSA-N -1 1 470.514 4.305 50 30 JIEAMM C=CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2nc(SCc3ccccc3C)[n-]c(=O)c21 ZINC000086057044 569717011 /nfs/dbraw/zinc/71/70/11/569717011.db2.gz WCLCHAIRENYQPG-GOSISDBHSA-N -1 1 463.559 4.418 50 30 JIEAMM COc1cc([C@@H]2c3c(=O)[n-]c(SCc4ccccc4F)nc3NC3=C2C(=O)CCC3)ccc1O ZINC000100885222 569774320 /nfs/dbraw/zinc/77/43/20/569774320.db2.gz RGLRJDQMSUJQLQ-FQEVSTJZSA-N -1 1 479.533 4.480 50 30 JIEAMM C=CCOC(=O)C1=C(C)Nc2nc(SCCCC)[n-]c(=O)c2[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000100951292 569777777 /nfs/dbraw/zinc/77/77/77/569777777.db2.gz BPYCPIJCFXIPSM-GOSISDBHSA-N -1 1 469.563 4.009 50 30 JIEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccc(Br)cc1)c1ccc2c(c1)OCCO2 ZINC000101072894 569781405 /nfs/dbraw/zinc/78/14/05/569781405.db2.gz GSDAFPYGKNTDNK-SELCWUDQSA-N -1 1 499.342 4.303 50 30 JIEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ncccn3)[C@H]2c2cccc(Br)c2)cc1 ZINC000101100176 569782749 /nfs/dbraw/zinc/78/27/49/569782749.db2.gz QHBMFMXVYLKODM-GHNGSUTGSA-N -1 1 450.292 4.174 50 30 JIEAMM CC([O-])=C(N=Nc1c(Br)cc(Br)cc1Br)C(=O)C(F)(F)F ZINC000252613777 570086442 /nfs/dbraw/zinc/08/64/42/570086442.db2.gz JEARSHYIUVOOAN-UHFFFAOYSA-N -1 1 494.887 4.462 50 30 JIEAMM CC(=O)C(=N[N-]c1c(Br)cc(Br)cc1Br)C(=O)C(F)(F)F ZINC000252613777 570086443 /nfs/dbraw/zinc/08/64/43/570086443.db2.gz JEARSHYIUVOOAN-UHFFFAOYSA-N -1 1 494.887 4.462 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccccc2)nc1C ZINC000102519238 130172369 /nfs/dbraw/zinc/17/23/69/130172369.db2.gz PGPVSQZXPMXRIV-LFVOPCPISA-N -1 1 478.526 4.181 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccccc2)nc1C ZINC000102519238 130172372 /nfs/dbraw/zinc/17/23/72/130172372.db2.gz PGPVSQZXPMXRIV-LFVOPCPISA-N -1 1 478.526 4.181 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccs2)nc1C ZINC000102525690 130177667 /nfs/dbraw/zinc/17/76/67/130177667.db2.gz MCOVXEFHIXAMFK-IBOXJLQUSA-N -1 1 472.519 4.455 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccccc2F)nc1C ZINC000102703435 130248770 /nfs/dbraw/zinc/24/87/70/130248770.db2.gz AVFLKUYARIFOHQ-HVESIFNPSA-N -1 1 470.478 4.295 50 30 JIEAMM O=C(C1=C([O-])C(=O)N(c2nncs2)[C@H]1c1cccc(Br)c1)c1ccc(F)cc1 ZINC000102862033 130333225 /nfs/dbraw/zinc/33/32/25/130333225.db2.gz GXRMFNWUJFSMFH-IDTYTIONSA-N -1 1 460.284 4.066 50 30 JIEAMM COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C([O-])C(=O)N2c2ccccc2)cc1OC ZINC000102867539 130340531 /nfs/dbraw/zinc/34/05/31/130340531.db2.gz WWZRIMOGBSFPBN-HOGKFDNTSA-N -1 1 460.442 4.238 50 30 JIEAMM COc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2cc(C)on2)c1OC ZINC000102869729 130342407 /nfs/dbraw/zinc/34/24/07/130342407.db2.gz ATNBPQMGGLBSJA-MRJHHRETSA-N -1 1 460.442 4.373 50 30 JIEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCCCC(=O)[O-])c(OC)c1 ZINC000102883033 130362670 /nfs/dbraw/zinc/36/26/70/130362670.db2.gz JYZRSMFCDLPWCU-MOBKVPTQSA-N -1 1 487.936 4.424 50 30 JIEAMM CCCOc1ccc([C@@H]2C(=C([O-])c3ccc(OC)c(OC)c3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000102883797 130364428 /nfs/dbraw/zinc/36/44/28/130364428.db2.gz MOFMSXPVEUAAHM-ZHHPLPSFSA-N -1 1 478.501 4.415 50 30 JIEAMM CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000102883797 130364431 /nfs/dbraw/zinc/36/44/31/130364431.db2.gz MOFMSXPVEUAAHM-ZHHPLPSFSA-N -1 1 478.501 4.415 50 30 JIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009234700 519024730 /nfs/dbraw/zinc/02/47/30/519024730.db2.gz DIUKSYHDJQMNLS-IBGZPJMESA-N -1 1 463.471 4.399 50 30 JIEAMM CCCCSc1nc2c(c(=O)[n-]1)[C@@H](c1cc(OC)c(OC)c(OC)c1)C1=C(CCCC1=O)N2 ZINC000009494399 520976258 /nfs/dbraw/zinc/97/62/58/520976258.db2.gz JLNOCKVQKAOTMD-SFHVURJKSA-N -1 1 471.579 4.252 50 30 JIEAMM CCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2ccccn2)cc1OC ZINC000009313431 521239720 /nfs/dbraw/zinc/23/97/20/521239720.db2.gz SKPBHOCVOXAVMJ-HSZRJFAPSA-N -1 1 460.486 4.280 50 30 JIEAMM CCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2c2ccccn2)cc1OC ZINC000009313432 521267421 /nfs/dbraw/zinc/26/74/21/521267421.db2.gz SKPBHOCVOXAVMJ-QHCPKHFHSA-N -1 1 460.486 4.280 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccco2)nc1C ZINC000009271174 521611309 /nfs/dbraw/zinc/61/13/09/521611309.db2.gz SGPLOKPVJXJLJU-SFHVURJKSA-N -1 1 482.514 4.321 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000009360931 522421657 /nfs/dbraw/zinc/42/16/57/522421657.db2.gz CWYWDZRJOXNYDU-IBGZPJMESA-N -1 1 494.525 4.038 50 30 JIEAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3cccc(C#N)c3)c2)cc1Br ZINC000010897054 524695725 /nfs/dbraw/zinc/69/57/25/524695725.db2.gz OSRASDAFFLPYOW-UHFFFAOYSA-N -1 1 486.347 4.382 50 30 JIEAMM COc1ccc(OC)c([C@H]2C(=C([O-])c3ccc(OC)c(C)c3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000009243799 524911050 /nfs/dbraw/zinc/91/10/50/524911050.db2.gz CQIPJIJSAGIHHK-QFIPXVFZSA-N -1 1 464.474 4.100 50 30 JIEAMM COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2cc(C)on2)c1 ZINC000009243799 524911059 /nfs/dbraw/zinc/91/10/59/524911059.db2.gz CQIPJIJSAGIHHK-QFIPXVFZSA-N -1 1 464.474 4.100 50 30 JIEAMM COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C([O-])C(=O)N2c2ccc(OC)cc2)cc1 ZINC000009320221 525389566 /nfs/dbraw/zinc/38/95/66/525389566.db2.gz YFVPNIZBGXEEMC-QFIPXVFZSA-N -1 1 460.442 4.395 50 30 JIEAMM COc1cccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(Br)c2)c1 ZINC000102712346 537073997 /nfs/dbraw/zinc/07/39/97/537073997.db2.gz MZBCHGXGTFFQJU-YDJIHCHBSA-N -1 1 465.303 4.479 50 30 JIEAMM COc1cccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2cccc(Br)c2)c1 ZINC000102712346 537074000 /nfs/dbraw/zinc/07/40/00/537074000.db2.gz MZBCHGXGTFFQJU-YDJIHCHBSA-N -1 1 465.303 4.479 50 30 JIEAMM C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1 ZINC000006444657 554539025 /nfs/dbraw/zinc/53/90/25/554539025.db2.gz SMVGCUAJBQOBAQ-HXUWFJFHSA-N -1 1 463.515 4.203 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2cccc(OC)c2)nc1C ZINC000008779285 554676279 /nfs/dbraw/zinc/67/62/79/554676279.db2.gz RZNHXAJGWHNWMG-MRXNPFEDSA-N -1 1 470.528 4.091 50 30 JIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC000008816713 554698781 /nfs/dbraw/zinc/69/87/81/554698781.db2.gz QNVBEJMESCEMAY-LJQANCHMSA-N -1 1 480.502 4.325 50 30 JIEAMM Cc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)c3c(=O)[n-]c(=O)n(-c4ccc(F)cc4)c3N2)cc1 ZINC000008829900 554719919 /nfs/dbraw/zinc/71/99/19/554719919.db2.gz UVWNKIZDVOMCKS-UHFFFAOYSA-N -1 1 486.347 4.166 50 30 JIEAMM COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCCCCC(=O)[O-])cc1OC ZINC000008856832 554752957 /nfs/dbraw/zinc/75/29/57/554752957.db2.gz LKTTWIKVNNJGAG-QHCPKHFHSA-N -1 1 467.518 4.236 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccccc2OC)nc1C ZINC000008996285 554856909 /nfs/dbraw/zinc/85/69/09/554856909.db2.gz GLXYZVIGPIVVHU-SFHVURJKSA-N -1 1 464.499 4.030 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2OC)nc1C ZINC000008996285 554856912 /nfs/dbraw/zinc/85/69/12/554856912.db2.gz GLXYZVIGPIVVHU-SFHVURJKSA-N -1 1 464.499 4.030 50 30 JIEAMM COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000008996463 554857181 /nfs/dbraw/zinc/85/71/81/554857181.db2.gz JPGMSROGBPLZDH-LJQANCHMSA-N -1 1 452.850 4.206 50 30 JIEAMM CCN(CC)c1ccc(NC(=O)c2ccc(C#N)cc2)cc1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000009335524 555103163 /nfs/dbraw/zinc/10/31/63/555103163.db2.gz BOOLBDLXQBMHNO-UHFFFAOYSA-N -1 1 478.574 4.466 50 30 JIEAMM COc1ccc(F)cc1C(=O)C1=C([O-])C(=O)N(c2nnc(C)s2)[C@H]1c1ccc(Cl)cc1 ZINC000013692968 555587645 /nfs/dbraw/zinc/58/76/45/555587645.db2.gz FFBWKEQHNLBMQD-KRWDZBQOSA-N -1 1 459.886 4.431 50 30 JIEAMM C=CCn1c(Cc2csc(NC(=O)c3cnn(Cc4ccccc4Cl)c3)n2)n[n-]c1=S ZINC000023041913 556001361 /nfs/dbraw/zinc/00/13/61/556001361.db2.gz VGLYVRSGNLSDRR-UHFFFAOYSA-N -1 1 471.999 4.324 50 30 JIEAMM Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCC(=O)[O-])[C@@H]2c2ccc(Br)cc2)cc1 ZINC000017124455 556220654 /nfs/dbraw/zinc/22/06/54/556220654.db2.gz VWAIWMDATYJHTH-LJQANCHMSA-N -1 1 458.308 4.201 50 30 JIEAMM C#CCOc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4Cl)[n-]c(=O)c32)cc1OC ZINC000086057353 569717157 /nfs/dbraw/zinc/71/71/57/569717157.db2.gz NSOBEIKOJISVBC-MRXNPFEDSA-N -1 1 481.961 4.210 50 30 JIEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cn2)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000101087245 569782025 /nfs/dbraw/zinc/78/20/25/569782025.db2.gz ZKCTXQNKRTYVSQ-WOOAAIBNSA-N -1 1 480.274 4.379 50 30 JIEAMM Cc1nc2[n-]c(N(Cc3cccc(C#N)c3)C(=O)c3ccccc3)nn2c(=O)c1Cc1ccccc1 ZINC000101878424 569806749 /nfs/dbraw/zinc/80/67/49/569806749.db2.gz QWOFUVSYXCWSJQ-UHFFFAOYSA-N -1 1 474.524 4.036 50 30 JIEAMM COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2c2cc(C)on2)cc(OC)c1OC ZINC000102872082 569826010 /nfs/dbraw/zinc/82/60/10/569826010.db2.gz AQWWMWXXXLUFPR-MOBKVPTQSA-N -1 1 490.468 4.381 50 30 JIEAMM CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000102927993 569826999 /nfs/dbraw/zinc/82/69/99/569826999.db2.gz GTUZGIPEGPTIKQ-JBCNATCCSA-N -1 1 480.542 4.499 50 30 JIEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000102491820 130146233 /nfs/dbraw/zinc/14/62/33/130146233.db2.gz DDZAVKMNCRHCLJ-ZHHPLPSFSA-N -1 1 457.482 4.498 50 30 JIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(Cl)cc2)s1 ZINC000102571547 130214385 /nfs/dbraw/zinc/21/43/85/130214385.db2.gz QCTPWGBCUSQMQS-LDQGIYSBSA-N -1 1 467.934 4.450 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2cccnc2)nc1C ZINC000102609505 130222942 /nfs/dbraw/zinc/22/29/42/130222942.db2.gz SYSCGTICYKCBPW-LFVOPCPISA-N -1 1 493.541 4.047 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc(C)cc2)nc1C ZINC000102697313 130243571 /nfs/dbraw/zinc/24/35/71/130243571.db2.gz DAAFSLBYPUFKGJ-GROYHEBESA-N -1 1 452.488 4.074 50 30 JIEAMM 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CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000102733826 130278019 /nfs/dbraw/zinc/27/80/19/130278019.db2.gz MKQYZMUOEUDWPH-MOBKVPTQSA-N -1 1 478.501 4.415 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccccc2F)nc1C ZINC000102803299 130310810 /nfs/dbraw/zinc/31/08/10/130310810.db2.gz FNVNOMDRBFJXMI-SELCWUDQSA-N -1 1 482.489 4.012 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(OC)cc2)nc1C ZINC000102881281 130358255 /nfs/dbraw/zinc/35/82/55/130358255.db2.gz CXBGEFQDKYMSOI-LFVOPCPISA-N -1 1 496.516 4.402 50 30 JIEAMM Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc([N+](=O)[O-])cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102892765 130374861 /nfs/dbraw/zinc/37/48/61/130374861.db2.gz FRHLBVDDTLQUFS-JBCNATCCSA-N -1 1 459.414 4.438 50 30 JIEAMM Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102892765 130374864 /nfs/dbraw/zinc/37/48/64/130374864.db2.gz FRHLBVDDTLQUFS-JBCNATCCSA-N -1 1 459.414 4.438 50 30 JIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccccc2OC)cc1 ZINC000102925368 130395463 /nfs/dbraw/zinc/39/54/63/130395463.db2.gz SWHVYESPLFTUND-NHFXJNLRSA-N -1 1 450.516 4.403 50 30 JIEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccco2)cc1 ZINC000009302106 520330385 /nfs/dbraw/zinc/33/03/85/520330385.db2.gz BPUQCDUNUUGUDN-GOSISDBHSA-N -1 1 482.514 4.403 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C ZINC000009174467 521611532 /nfs/dbraw/zinc/61/15/32/521611532.db2.gz BAYHLJUQUAAWMY-SFHVURJKSA-N -1 1 493.497 4.319 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccc(OC)c(OC)c2)nc1C ZINC000009334412 521611873 /nfs/dbraw/zinc/61/18/73/521611873.db2.gz GEJTVGQARXMZBZ-SFHVURJKSA-N -1 1 498.513 4.021 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000009008690 522422007 /nfs/dbraw/zinc/42/20/07/522422007.db2.gz KCWXBKFOUHNSKY-IBGZPJMESA-N -1 1 496.516 4.477 50 30 JIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(OC)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009380439 523564975 /nfs/dbraw/zinc/56/49/75/523564975.db2.gz ADSYONFDAPWKNG-QFIPXVFZSA-N -1 1 460.442 4.395 50 30 JIEAMM COc1cccc2cc(C(=O)C3=C([O-])C(=O)N(c4nnc(C)s4)[C@@H]3c3cccc(O)c3)oc21 ZINC000009662832 524256871 /nfs/dbraw/zinc/25/68/71/524256871.db2.gz GOXSMHOPCCZUCY-GOSISDBHSA-N -1 1 463.471 4.090 50 30 JIEAMM COc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000009380652 524385777 /nfs/dbraw/zinc/38/57/77/524385777.db2.gz QFJBNLHOKATTIF-JOCHJYFZSA-N -1 1 476.441 4.101 50 30 JIEAMM COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000009380652 524385787 /nfs/dbraw/zinc/38/57/87/524385787.db2.gz QFJBNLHOKATTIF-JOCHJYFZSA-N -1 1 476.441 4.101 50 30 JIEAMM COc1ccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2c2nccs2)cc1OC ZINC000009330060 525220924 /nfs/dbraw/zinc/22/09/24/525220924.db2.gz HUKRACHZKYENJW-YEJXKQKISA-N -1 1 478.526 4.267 50 30 JIEAMM COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nccs2)cc1OC ZINC000009330060 525220928 /nfs/dbraw/zinc/22/09/28/525220928.db2.gz HUKRACHZKYENJW-YEJXKQKISA-N -1 1 478.526 4.267 50 30 JIEAMM COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000009461143 525387832 /nfs/dbraw/zinc/38/78/32/525387832.db2.gz YTLCURQIZPRPKS-FQEVSTJZSA-N -1 1 454.866 4.437 50 30 JIEAMM O=C([O-])CC1S/C(=N/N=C/c2c(OCc3ccccc3Cl)ccc3ccccc32)NC1=O ZINC000012464932 527631489 /nfs/dbraw/zinc/63/14/89/527631489.db2.gz OOMHVLHYWTUDTL-GRMYTIJRSA-N -1 1 467.934 4.468 50 30 JIEAMM COc1cc(/C=N/N=C2/NC(=O)C(CC(=O)[O-])S2)cc(Cl)c1OCc1cccc2ccccc21 ZINC000001154395 553917948 /nfs/dbraw/zinc/91/79/48/553917948.db2.gz FTEGMHPVWGZHRD-HTHFWCIQSA-N -1 1 497.960 4.477 50 30 JIEAMM CCCSc1nc2c(c(=O)[n-]1)[C@H](c1cc(OC)c(OC)cc1OC)C1=C(CC(C)(C)CC1=O)N2 ZINC000006143657 554509135 /nfs/dbraw/zinc/50/91/35/554509135.db2.gz DJQQGHIIFHIAPC-LJQANCHMSA-N -1 1 485.606 4.498 50 30 JIEAMM O=C(C1=C([O-])C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000008385415 554568722 /nfs/dbraw/zinc/56/87/22/554568722.db2.gz UUBYXALKKZYCPH-HXUWFJFHSA-N -1 1 463.377 4.425 50 30 JIEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000008738641 554640381 /nfs/dbraw/zinc/64/03/81/554640381.db2.gz GWUYUCHSOYDQJD-QFIPXVFZSA-N -1 1 464.474 4.182 50 30 JIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000008738641 554640384 /nfs/dbraw/zinc/64/03/84/554640384.db2.gz GWUYUCHSOYDQJD-QFIPXVFZSA-N -1 1 464.474 4.182 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccccc2F)nc1C ZINC000008741030 554643257 /nfs/dbraw/zinc/64/32/57/554643257.db2.gz UAZPKJFISWSKHY-INIZCTEOSA-N -1 1 456.451 4.062 50 30 JIEAMM Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nncs3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000008817635 554700746 /nfs/dbraw/zinc/70/07/46/554700746.db2.gz TWQCAOFVLFRDKU-MRXNPFEDSA-N -1 1 456.321 4.392 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000008996783 554857889 /nfs/dbraw/zinc/85/78/89/554857889.db2.gz DLQMVKWMESFYRC-KRWDZBQOSA-N -1 1 470.478 4.452 50 30 JIEAMM C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nccs2)c1 ZINC000009324555 555096973 /nfs/dbraw/zinc/09/69/73/555096973.db2.gz RJZVKKSSCWIACT-NRFANRHFSA-N -1 1 476.510 4.262 50 30 JIEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1OC ZINC000013548773 555490458 /nfs/dbraw/zinc/49/04/58/555490458.db2.gz BFJIZRPHXBMIKB-OAQYLSRUSA-N -1 1 495.557 4.434 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@H]2c2ccccc2)nc1C ZINC000017124014 556220712 /nfs/dbraw/zinc/22/07/12/556220712.db2.gz SYDJZECKSUCKFV-LJQANCHMSA-N -1 1 478.526 4.338 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccccc2)nc1C ZINC000017124014 556220716 /nfs/dbraw/zinc/22/07/16/556220716.db2.gz SYDJZECKSUCKFV-LJQANCHMSA-N -1 1 478.526 4.338 50 30 JIEAMM C=CCNC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)nc1 ZINC000065063326 569656497 /nfs/dbraw/zinc/65/64/97/569656497.db2.gz SHMMDNRZCMKVFU-UHFFFAOYSA-N -1 1 488.363 4.353 50 30 JIEAMM C=CCOc1cccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)c1 ZINC000096221507 569738960 /nfs/dbraw/zinc/73/89/60/569738960.db2.gz CAGGLHMOTXLLIA-INIZCTEOSA-N -1 1 488.448 4.288 50 30 biogenic JIEAMM C=CCOc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)cc1 ZINC000096222383 569739529 /nfs/dbraw/zinc/73/95/29/569739529.db2.gz XECFYVKJLIHSSM-MRXNPFEDSA-N -1 1 488.448 4.288 50 30 biogenic JIEAMM Cc1ccc(C)c(NC(=O)C([O-])=CC(=O)c2ccc(NC3=CC(=O)C(=O)c4ccccc43)cc2)c1 ZINC000100721577 569767673 /nfs/dbraw/zinc/76/76/73/569767673.db2.gz WGIUZEXOKORMPL-UHFFFAOYSA-N -1 1 466.493 4.302 50 30 JIEAMM CCCCc1c(C)nc2[n-]c(N(Cc3cccc(C#N)c3)C(=O)c3cccc(C)c3)nn2c1=O ZINC000101878799 569806804 /nfs/dbraw/zinc/80/68/04/569806804.db2.gz FQCXLIFLLAZNTF-UHFFFAOYSA-N -1 1 454.534 4.096 50 30 JIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102864779 569825678 /nfs/dbraw/zinc/82/56/78/569825678.db2.gz MWDQVARGDGHSHG-VFJWVMJUSA-N -1 1 460.442 4.238 50 30 JIEAMM COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000104082810 569840546 /nfs/dbraw/zinc/84/05/46/569840546.db2.gz SWIZCIPHBXHUKS-MRJHHRETSA-N -1 1 475.413 4.138 50 30 JIEAMM CCOc1cc(C=N[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc(Br)c1O ZINC000252604841 570085519 /nfs/dbraw/zinc/08/55/19/570085519.db2.gz GEIYVIUNAZJEIM-UHFFFAOYSA-N -1 1 468.156 4.173 50 30 JIEAMM CCOC(=O)N1CCC(N=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]c2ccccc2Cl)CC1 ZINC000012622099 195057651 /nfs/dbraw/zinc/05/76/51/195057651.db2.gz OHNRDQHTEGOWIX-UHFFFAOYSA-N -1 1 495.945 4.069 50 30 JIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccccc2F)s1 ZINC000102369117 130123682 /nfs/dbraw/zinc/12/36/82/130123682.db2.gz MNPYSKPMGGUSSF-WOOAAIBNSA-N -1 1 453.495 4.399 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C)o2)nc1C ZINC000102526722 130179080 /nfs/dbraw/zinc/17/90/80/130179080.db2.gz AZSHYXSFLBGCFO-HVESIFNPSA-N -1 1 452.488 4.156 50 30 JIEAMM COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(NC(C)=O)cc2)cc1OC ZINC000102534254 130188497 /nfs/dbraw/zinc/18/84/97/130188497.db2.gz NAGWMTNKEUWCHZ-NXLSWJSLSA-N -1 1 472.497 4.289 50 30 JIEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCCCC(=O)[O-])cc1 ZINC000102536390 130191532 /nfs/dbraw/zinc/19/15/32/130191532.db2.gz JVPOUZJSWWDSHZ-JBCNATCCSA-N -1 1 457.910 4.415 50 30 JIEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCCCC(=O)[O-])cc1OC ZINC000102540041 130194819 /nfs/dbraw/zinc/19/48/19/130194819.db2.gz PTRDVZBNFRXXIF-HOGKFDNTSA-N -1 1 487.936 4.424 50 30 JIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000102615819 130224671 /nfs/dbraw/zinc/22/46/71/130224671.db2.gz NXQTZJQAEDZLRZ-NXLSWJSLSA-N -1 1 475.497 4.347 50 30 JIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2cccc(Cl)c2)s1 ZINC000102675032 130235996 /nfs/dbraw/zinc/23/59/96/130235996.db2.gz YIXHFXPXJFOVRU-ZVRPETLXSA-N -1 1 467.934 4.450 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000102715311 130261590 /nfs/dbraw/zinc/26/15/90/130261590.db2.gz PRNZFAFXNSEYGN-HVESIFNPSA-N -1 1 452.463 4.004 50 30 JIEAMM CCCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000102733827 130278047 /nfs/dbraw/zinc/27/80/47/130278047.db2.gz MKQYZMUOEUDWPH-HOGKFDNTSA-N -1 1 478.501 4.415 50 30 JIEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000102733827 130278048 /nfs/dbraw/zinc/27/80/48/130278048.db2.gz MKQYZMUOEUDWPH-HOGKFDNTSA-N -1 1 478.501 4.415 50 30 JIEAMM COc1ccc(F)cc1C(=O)C1=C([O-])C(=O)N(c2nnc(C)s2)[C@H]1c1ccc(Cl)cc1 ZINC000102749524 130289669 /nfs/dbraw/zinc/28/96/69/130289669.db2.gz VBGQWNYTAPQJEH-HVESIFNPSA-N -1 1 459.886 4.274 50 30 JIEAMM COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccc([N+](=O)[O-])c2)cc1OC ZINC000102800808 130310035 /nfs/dbraw/zinc/31/00/35/130310035.db2.gz JQDZDUMKGIAKNK-MOBKVPTQSA-N -1 1 460.442 4.238 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2cccs2)nc1C ZINC000102805235 130313060 /nfs/dbraw/zinc/31/30/60/130313060.db2.gz NNCBEVZEOAFYPO-IBOXJLQUSA-N -1 1 454.529 4.234 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccs2)nc1C ZINC000102805235 130313063 /nfs/dbraw/zinc/31/30/63/130313063.db2.gz NNCBEVZEOAFYPO-IBOXJLQUSA-N -1 1 454.529 4.234 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2cccs2)nc1C ZINC000102865924 130339041 /nfs/dbraw/zinc/33/90/41/130339041.db2.gz WJLXJOSVLBKNBH-IBOXJLQUSA-N -1 1 454.529 4.316 50 30 JIEAMM Cc1nc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)sc1C ZINC000102879491 130354148 /nfs/dbraw/zinc/35/41/48/130354148.db2.gz FTNNVKZJSHIYEN-SELCWUDQSA-N -1 1 453.451 4.434 50 30 JIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000102884136 130364996 /nfs/dbraw/zinc/36/49/96/130364996.db2.gz ACJXTLNDHWTGFP-YDJIHCHBSA-N -1 1 480.542 4.412 50 30 JIEAMM C=CCN1c2ccc([N-]S(=O)(=O)c3ccc(OC)c(Cl)c3)cc2OCC(C)(C)C1=O ZINC000009167199 518876086 /nfs/dbraw/zinc/87/60/86/518876086.db2.gz ZVIXQEGCCKHZJV-UHFFFAOYSA-N -1 1 450.944 4.087 50 30 JIEAMM CCOc1ccc([C@@H]2C(=C([O-])c3ccc(OC)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1OC ZINC000004041167 521239264 /nfs/dbraw/zinc/23/92/64/521239264.db2.gz ZGKLKKGITQCAJF-JOCHJYFZSA-N -1 1 464.474 4.182 50 30 JIEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000004041167 521239269 /nfs/dbraw/zinc/23/92/69/521239269.db2.gz ZGKLKKGITQCAJF-JOCHJYFZSA-N -1 1 464.474 4.182 50 30 JIEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nccs2)cc1 ZINC000009124661 522172411 /nfs/dbraw/zinc/17/24/11/522172411.db2.gz RBAKUQOKKHKIOS-XCLFUZPHSA-N -1 1 476.510 4.036 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2cccc(OC)c2OC)nc1C ZINC000009185684 522423452 /nfs/dbraw/zinc/42/34/52/522423452.db2.gz JFEOYSRIFOKNIX-SFHVURJKSA-N -1 1 494.525 4.038 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2cccc(OC)c2OC)nc1C ZINC000009185684 522423459 /nfs/dbraw/zinc/42/34/59/522423459.db2.gz JFEOYSRIFOKNIX-SFHVURJKSA-N -1 1 494.525 4.038 50 30 JIEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc(C)c(C(C)=O)s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000016729732 523570120 /nfs/dbraw/zinc/57/01/20/523570120.db2.gz MKELVQLRIBFUDZ-HXUWFJFHSA-N -1 1 478.526 4.454 50 30 JIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(C)=O)s3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000016729732 523570126 /nfs/dbraw/zinc/57/01/26/523570126.db2.gz MKELVQLRIBFUDZ-HXUWFJFHSA-N -1 1 478.526 4.454 50 30 JIEAMM COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009379890 524386895 /nfs/dbraw/zinc/38/68/95/524386895.db2.gz CGWVPWFRPPZZNC-OAQYLSRUSA-N -1 1 475.413 4.295 50 30 JIEAMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N=C3CCCCCN3)c2)c(C)c1C ZINC000016154861 525675627 /nfs/dbraw/zinc/67/56/27/525675627.db2.gz JZQUEFGJKWISQF-UHFFFAOYSA-N -1 1 477.652 4.280 50 30 JIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccc(F)cc2)s1 ZINC000009363591 526353545 /nfs/dbraw/zinc/35/35/45/526353545.db2.gz FVRXOJMNQHVZHZ-JEOXALJRSA-N -1 1 451.479 4.092 50 30 JIEAMM N#C[C@H](C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)c1nc(-c2ccccn2)cs1 ZINC000048314061 526507329 /nfs/dbraw/zinc/50/73/29/526507329.db2.gz DPOAMWHXSPADCW-LJQANCHMSA-N -1 1 460.540 4.496 50 30 JIEAMM O=C([O-])CC1S/C(=N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)NC1=O ZINC000009762833 527637851 /nfs/dbraw/zinc/63/78/51/527637851.db2.gz OHCLOWLZRGLSDE-HGFPGGDJSA-N -1 1 496.770 4.078 50 30 JIEAMM COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000102622482 536658645 /nfs/dbraw/zinc/65/86/45/536658645.db2.gz AVLAGYQFVAODRC-ZHHPLPSFSA-N -1 1 490.468 4.247 50 30 JIEAMM COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc(C)c(C)s2)ccc1O ZINC000102491085 536884624 /nfs/dbraw/zinc/88/46/24/536884624.db2.gz PUSJGWSAQVCFKS-WOOAAIBNSA-N -1 1 454.479 4.240 50 30 JIEAMM COc1ccc(OC)c([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccc([N+](=O)[O-])c2)c1 ZINC000000856624 553800603 /nfs/dbraw/zinc/80/06/03/553800603.db2.gz OFPCNEROXTZTFZ-JOCHJYFZSA-N -1 1 460.442 4.395 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000001017585 553900194 /nfs/dbraw/zinc/90/01/94/553900194.db2.gz ZPTMJGXRMGHDSM-IBGZPJMESA-N -1 1 478.526 4.338 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000001017585 553900195 /nfs/dbraw/zinc/90/01/95/553900195.db2.gz ZPTMJGXRMGHDSM-IBGZPJMESA-N -1 1 478.526 4.338 50 30 JIEAMM N#Cc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)c1 ZINC000002621543 554246353 /nfs/dbraw/zinc/24/63/53/554246353.db2.gz KGUZWTKMPMGGGG-UHFFFAOYSA-N -1 1 456.321 4.374 50 30 JIEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCCCC(=O)[O-])cc1OC ZINC000006459012 554542189 /nfs/dbraw/zinc/54/21/89/554542189.db2.gz BTNZWTJRMDAFSI-JOCHJYFZSA-N -1 1 471.481 4.066 50 30 JIEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000008738581 554640035 /nfs/dbraw/zinc/64/00/35/554640035.db2.gz DHTJWDUIKWAZQN-NRFANRHFSA-N -1 1 463.446 4.461 50 30 JIEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000008740911 554643242 /nfs/dbraw/zinc/64/32/42/554643242.db2.gz YFEICTYFBRPVTQ-FQEVSTJZSA-N -1 1 482.876 4.215 50 30 JIEAMM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000008964623 554838772 /nfs/dbraw/zinc/83/87/72/554838772.db2.gz CVYCNRBYABODFN-QHCPKHFHSA-N -1 1 473.481 4.360 50 30 biogenic JIEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1 ZINC000008996895 554858207 /nfs/dbraw/zinc/85/82/07/554858207.db2.gz GSUAPQICMOEPKC-IBGZPJMESA-N -1 1 497.301 4.315 50 30 JIEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000008996924 554858285 /nfs/dbraw/zinc/85/82/85/554858285.db2.gz UEYZSCUWGMKWRW-QFIPXVFZSA-N -1 1 464.474 4.182 50 30 JIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000008996924 554858287 /nfs/dbraw/zinc/85/82/87/554858287.db2.gz UEYZSCUWGMKWRW-QFIPXVFZSA-N -1 1 464.474 4.182 50 30 JIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccccc2F)s1 ZINC000009510376 555299860 /nfs/dbraw/zinc/29/98/60/555299860.db2.gz BUYBRCKGSKNPEL-WLRWDXFRSA-N -1 1 451.479 4.092 50 30 JIEAMM COc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1OC ZINC000013548770 555490528 /nfs/dbraw/zinc/49/05/28/555490528.db2.gz BFJIZRPHXBMIKB-NRFANRHFSA-N -1 1 495.557 4.434 50 30 JIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(OC)c2OC)cc1Cl ZINC000013571326 555509690 /nfs/dbraw/zinc/50/96/90/555509690.db2.gz MAHBKDFSTMGUEF-HXUWFJFHSA-N -1 1 484.892 4.445 50 30 JIEAMM Cc1ccc([O-])c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)c1 ZINC000020310427 555768749 /nfs/dbraw/zinc/76/87/49/555768749.db2.gz ITNCCGSQGTXEAG-VWLOTQADSA-N -1 1 492.616 4.299 50 30 JIEAMM COC(=O)c1ccc([C@H]2c3c(=O)[n-]c(SC(C)C)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000017113600 556218572 /nfs/dbraw/zinc/21/85/72/556218572.db2.gz BZFFGUKGGAYAEM-QGZVFWFLSA-N -1 1 453.564 4.258 50 30 JIEAMM COc1ccc([C@@H]2c3c(=O)[n-]c(SC(C)C)nc3NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000017113592 556218675 /nfs/dbraw/zinc/21/86/75/556218675.db2.gz JOSRYUUJXPXCRM-SFHVURJKSA-N -1 1 455.580 4.488 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2cccs2)nc1C ZINC000017180526 556234643 /nfs/dbraw/zinc/23/46/43/556234643.db2.gz NGKBAGRGSKVRHF-MRXNPFEDSA-N -1 1 454.529 4.473 50 30 JIEAMM CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OC)c(OC)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000017287198 556251123 /nfs/dbraw/zinc/25/11/23/556251123.db2.gz XOWWKJAJPSVRHI-SFHVURJKSA-N -1 1 455.580 4.490 50 30 JIEAMM CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000018178486 556298806 /nfs/dbraw/zinc/29/88/06/556298806.db2.gz TUYNTUDTTUOBSW-QHCPKHFHSA-N -1 1 494.500 4.190 50 30 JIEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000101062632 569780766 /nfs/dbraw/zinc/78/07/66/569780766.db2.gz CRJIIJQKVTWQSJ-IBOXJLQUSA-N -1 1 486.303 4.440 50 30 JIEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1ccc(Br)cc1)c1ccc2c(c1)OCCO2 ZINC000101072895 569781395 /nfs/dbraw/zinc/78/13/95/569781395.db2.gz GSDAFPYGKNTDNK-GHNGSUTGSA-N -1 1 499.342 4.303 50 30 JIEAMM COc1cc(-c2cc3n(c(=N)c2C#N)CCc2cc(OC)c(OC)cc2-3)cc(Br)c1[O-] ZINC000101140834 569784271 /nfs/dbraw/zinc/78/42/71/569784271.db2.gz ZTUQBZIXLRPGFO-UHFFFAOYSA-N -1 1 482.334 4.223 50 30 biogenic JIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000101287162 569789243 /nfs/dbraw/zinc/78/92/43/569789243.db2.gz ANNBZWZNSNNUMY-NXLSWJSLSA-N -1 1 472.497 4.290 50 30 JIEAMM Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCC(=O)[O-])[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102861413 569825021 /nfs/dbraw/zinc/82/50/21/569825021.db2.gz ANYVERMSGKFWJL-LFVOPCPISA-N -1 1 458.308 4.044 50 30 JIEAMM COc1ccc2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102932252 569828781 /nfs/dbraw/zinc/82/87/81/569828781.db2.gz ASKIURIYJFGWAD-WOOAAIBNSA-N -1 1 477.454 4.432 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(C)cc2)nc1C ZINC000104185381 569842575 /nfs/dbraw/zinc/84/25/75/569842575.db2.gz MYGSWCUHTQULGG-IBOXJLQUSA-N -1 1 454.529 4.234 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccc(C)cc2)nc1C ZINC000104185381 569842576 /nfs/dbraw/zinc/84/25/76/569842576.db2.gz MYGSWCUHTQULGG-IBOXJLQUSA-N -1 1 454.529 4.234 50 30 JIEAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2ccc(C#N)cc2)cc1OC ZINC000263585959 570171479 /nfs/dbraw/zinc/17/14/79/570171479.db2.gz OGSUOLNTIKWZON-KRWDZBQOSA-N -1 1 469.449 4.495 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(OC)c(C)c3)[C@@H]2c2ccccc2)nc1C ZINC000102519232 130172298 /nfs/dbraw/zinc/17/22/98/130172298.db2.gz PGPVSQZXPMXRIV-WOOAAIBNSA-N -1 1 478.526 4.181 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccccc2)nc1C ZINC000102519232 130172300 /nfs/dbraw/zinc/17/23/00/130172300.db2.gz PGPVSQZXPMXRIV-WOOAAIBNSA-N -1 1 478.526 4.181 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)o2)nc1C ZINC000102524870 130177537 /nfs/dbraw/zinc/17/75/37/130177537.db2.gz UQQDKOMXGSHPIQ-HVESIFNPSA-N -1 1 452.488 4.074 50 30 JIEAMM COc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000102704372 130249857 /nfs/dbraw/zinc/24/98/57/130249857.db2.gz WSZKKMYQDRATSY-ZHHPLPSFSA-N -1 1 478.501 4.414 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(OC)cc2)nc1C ZINC000102710926 130257289 /nfs/dbraw/zinc/25/72/89/130257289.db2.gz JXPVDKHXFMMOJS-SELCWUDQSA-N -1 1 482.489 4.012 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2cccs2)nc1C ZINC000102721416 130267017 /nfs/dbraw/zinc/26/70/17/130267017.db2.gz QWBZQQCTIUHMMI-HVESIFNPSA-N -1 1 484.555 4.325 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000102729761 130273763 /nfs/dbraw/zinc/27/37/63/130273763.db2.gz KXRBMVLMFHOXIM-WOOAAIBNSA-N -1 1 478.526 4.181 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000102729761 130273765 /nfs/dbraw/zinc/27/37/65/130273765.db2.gz KXRBMVLMFHOXIM-WOOAAIBNSA-N -1 1 478.526 4.181 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccccc2F)nc1C ZINC000102805601 130313040 /nfs/dbraw/zinc/31/30/40/130313040.db2.gz QHTOVTQBBITGJN-IBOXJLQUSA-N -1 1 472.519 4.455 50 30 JIEAMM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000102865851 130339093 /nfs/dbraw/zinc/33/90/93/130339093.db2.gz ZRTSSALQRNOJPI-YDJIHCHBSA-N -1 1 465.303 4.479 50 30 JIEAMM COc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccccn3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000102865851 130339099 /nfs/dbraw/zinc/33/90/99/130339099.db2.gz ZRTSSALQRNOJPI-YDJIHCHBSA-N -1 1 465.303 4.479 50 30 JIEAMM CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2cccnc2)cc1 ZINC000009280842 520331410 /nfs/dbraw/zinc/33/14/10/520331410.db2.gz DJGCAFICRCBBJK-LJQANCHMSA-N -1 1 493.541 4.205 50 30 JIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009310185 520883211 /nfs/dbraw/zinc/88/32/11/520883211.db2.gz UIOHPSLFXVRGRK-GOSISDBHSA-N -1 1 451.460 4.233 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000009241074 521611422 /nfs/dbraw/zinc/61/14/22/521611422.db2.gz NVQQOIVJJVNYKT-SFHVURJKSA-N -1 1 493.497 4.319 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(C)o2)nc1C ZINC000006144032 521612045 /nfs/dbraw/zinc/61/20/45/521612045.db2.gz XBXOQQAVCTYUBR-HNNXBMFYSA-N -1 1 458.517 4.374 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccccc2)nc1C ZINC000006144025 521612268 /nfs/dbraw/zinc/61/22/68/521612268.db2.gz SYBZSGAPGDFGEY-MRXNPFEDSA-N -1 1 454.529 4.473 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000009370770 522419923 /nfs/dbraw/zinc/41/99/23/522419923.db2.gz FMPMAKJVLSQQKS-SFHVURJKSA-N -1 1 466.490 4.469 50 30 JIEAMM COc1cc([C@@H]2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2c2cc(C)on2)cc(OC)c1OC ZINC000009243963 522919678 /nfs/dbraw/zinc/91/96/78/522919678.db2.gz DCYQNAAINFPDFO-OAQYLSRUSA-N -1 1 464.474 4.100 50 30 JIEAMM COc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc(OC)c1OC ZINC000009243963 522919684 /nfs/dbraw/zinc/91/96/84/522919684.db2.gz DCYQNAAINFPDFO-OAQYLSRUSA-N -1 1 464.474 4.100 50 30 JIEAMM COc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000009088813 524385606 /nfs/dbraw/zinc/38/56/06/524385606.db2.gz QFJBNLHOKATTIF-QFIPXVFZSA-N -1 1 476.441 4.101 50 30 JIEAMM COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000009088813 524385618 /nfs/dbraw/zinc/38/56/18/524385618.db2.gz QFJBNLHOKATTIF-QFIPXVFZSA-N -1 1 476.441 4.101 50 30 JIEAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)OCC(=O)N(CCC#N)c3ccc(F)cc3)cc2)cc1 ZINC000009982382 525298539 /nfs/dbraw/zinc/29/85/39/525298539.db2.gz NUPSFDAGHJCLLS-UHFFFAOYSA-N -1 1 495.532 4.039 50 30 JIEAMM CC(C)Oc1ccc(C([O-])=C2C(=O)C(=O)N(c3cccnc3)[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000001481168 553977397 /nfs/dbraw/zinc/97/73/97/553977397.db2.gz YQNZLNDHNVGQJC-QHCPKHFHSA-N -1 1 458.470 4.380 50 30 JIEAMM CC(C)Oc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccnc3)[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000001481168 553977400 /nfs/dbraw/zinc/97/74/00/553977400.db2.gz YQNZLNDHNVGQJC-QHCPKHFHSA-N -1 1 458.470 4.380 50 30 JIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC000006143927 554509618 /nfs/dbraw/zinc/50/96/18/554509618.db2.gz IGSBBOYPTIMRJA-INIZCTEOSA-N -1 1 456.867 4.191 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@H]2c2ccc(F)cc2)nc1C ZINC000008739174 554640925 /nfs/dbraw/zinc/64/09/25/554640925.db2.gz NWGFJAVUDWKHTO-MRXNPFEDSA-N -1 1 456.451 4.143 50 30 JIEAMM CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000008779287 554676242 /nfs/dbraw/zinc/67/62/42/554676242.db2.gz ZHIGLUXAWSGQPE-QGZVFWFLSA-N -1 1 484.555 4.481 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000008914980 554808197 /nfs/dbraw/zinc/80/81/97/554808197.db2.gz FIGLIZWKDGRPHW-HNNXBMFYSA-N -1 1 458.492 4.222 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C)o2)nc1C ZINC000008980884 554846735 /nfs/dbraw/zinc/84/67/35/554846735.db2.gz KQXLJAWUHRHAMQ-KRWDZBQOSA-N -1 1 452.488 4.313 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccco3)[C@@H]2c2ccc(OC)cc2)nc1C ZINC000008988147 554850599 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569840632 /nfs/dbraw/zinc/84/06/32/569840632.db2.gz RCFNIHZKGVUJHH-HOGKFDNTSA-N -1 1 460.442 4.238 50 30 JIEAMM C=CCN(Cc1ccccc1F)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000057993021 195361291 /nfs/dbraw/zinc/36/12/91/195361291.db2.gz RNNZOFAERNLVBF-UHFFFAOYSA-N -1 1 454.523 4.464 50 30 JIEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000102368999 130123188 /nfs/dbraw/zinc/12/31/88/130123188.db2.gz HLMJYCKFFOTLMY-MRJHHRETSA-N -1 1 463.446 4.305 50 30 JIEAMM COC(=O)c1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102506402 130160887 /nfs/dbraw/zinc/16/08/87/130160887.db2.gz GGNPKZIYICYITR-WOOAAIBNSA-N -1 1 478.457 4.441 50 30 JIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000102543166 130199559 /nfs/dbraw/zinc/19/95/59/130199559.db2.gz XIHCPGZJCFDIHP-YDJIHCHBSA-N -1 1 450.516 4.491 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2cccnc2)nc1C ZINC000102609509 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130262892 /nfs/dbraw/zinc/26/28/92/130262892.db2.gz AVXOUEBPSVEIFD-GHNGSUTGSA-N -1 1 466.490 4.312 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc(F)cc2)nc1C ZINC000102803679 130311230 /nfs/dbraw/zinc/31/12/30/130311230.db2.gz FLZRUKMCGRNMMQ-GROYHEBESA-N -1 1 470.478 4.295 50 30 JIEAMM CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C([O-])C(=O)N2c2nnc(C)s2)c1 ZINC000009109360 520466889 /nfs/dbraw/zinc/46/68/89/520466889.db2.gz YWBDTIKTJHASFI-OAQYLSRUSA-N -1 1 493.541 4.189 50 30 JIEAMM CCOc1cccc([C@@H]2C(=C([O-])c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2c2nnc(C)s2)c1 ZINC000009540785 521413957 /nfs/dbraw/zinc/41/39/57/521413957.db2.gz HLUZZBOHQMGRNL-LRTDBIEQSA-N -1 1 477.542 4.352 50 30 JIEAMM CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)c1 ZINC000009540785 521413961 /nfs/dbraw/zinc/41/39/61/521413961.db2.gz HLUZZBOHQMGRNL-LRTDBIEQSA-N -1 1 477.542 4.352 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C ZINC000009177943 521611281 /nfs/dbraw/zinc/61/12/81/521611281.db2.gz YQDHAWQKCYRTHX-KRWDZBQOSA-N -1 1 497.485 4.221 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2cccnc2)nc1C ZINC000006089516 521611945 /nfs/dbraw/zinc/61/19/45/521611945.db2.gz XALHTWOOJIPFFB-LJQANCHMSA-N -1 1 493.541 4.123 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccnc2)nc1C ZINC000009046518 521612120 /nfs/dbraw/zinc/61/21/20/521612120.db2.gz HMPCCSGNXPIVOO-IBGZPJMESA-N -1 1 493.541 4.123 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C)o2)nc1C ZINC000009042846 522418858 /nfs/dbraw/zinc/41/88/58/522418858.db2.gz MUSPMKMWEFKJFE-QGZVFWFLSA-N -1 1 452.488 4.231 50 30 JIEAMM COc1cc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cc(C)on2)cc(Br)c1O ZINC000009123933 522918383 /nfs/dbraw/zinc/91/83/83/522918383.db2.gz OGCQUJBCAXDGBU-GOSISDBHSA-N -1 1 485.290 4.243 50 30 JIEAMM Cc1cccc2c3nnc(NN=Cc4cc(Br)cc(Br)c4[O-])nc3[nH]c21 ZINC000008397172 524969980 /nfs/dbraw/zinc/96/99/80/524969980.db2.gz NGLCXXSVNNILTC-SCDVKCJHSA-N -1 1 476.132 4.491 50 30 JIEAMM Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccc(O)cc2)no1 ZINC000009461033 525046069 /nfs/dbraw/zinc/04/60/69/525046069.db2.gz BZCSECPMVBCABW-SFHVURJKSA-N -1 1 455.264 4.234 50 30 JIEAMM COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccc([N+](=O)[O-])c2)cc1OC ZINC000009088695 525393216 /nfs/dbraw/zinc/39/32/16/525393216.db2.gz XBFKZILCQVJSKF-QFIPXVFZSA-N -1 1 460.442 4.395 50 30 JIEAMM Cc1ccc(S(=O)(=O)[N-]C(=O)N2CCCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000020405965 525483952 /nfs/dbraw/zinc/48/39/52/525483952.db2.gz VQODPJUBUQFZID-UHFFFAOYSA-N -1 1 456.395 4.112 50 30 JIEAMM Cc1ccc(S(=O)(=O)N=C([O-])N2CCCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000020405965 525483964 /nfs/dbraw/zinc/48/39/64/525483964.db2.gz VQODPJUBUQFZID-UHFFFAOYSA-N -1 1 456.395 4.112 50 30 JIEAMM O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1cccc(Br)c1)c1ccc2c(c1)OCCO2 ZINC000009223169 526272102 /nfs/dbraw/zinc/27/21/02/526272102.db2.gz LQWWIJOJLPEZFS-GOSISDBHSA-N -1 1 499.342 4.460 50 30 JIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC000016806162 526353953 /nfs/dbraw/zinc/35/39/53/526353953.db2.gz XXHSIZSTHSCMNS-SFHVURJKSA-N -1 1 462.443 4.284 50 30 JIEAMM O=C([O-])CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000004396876 527584609 /nfs/dbraw/zinc/58/46/09/527584609.db2.gz YOBAHZNLZRQLDC-SFHVURJKSA-N -1 1 462.271 4.031 50 30 JIEAMM O=C([O-])CC1S/C(=N\N=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)NC1=O ZINC000002910500 527631680 /nfs/dbraw/zinc/63/16/80/527631680.db2.gz SMGVDKWLPWPDJJ-QPCOYWRUSA-N -1 1 496.770 4.078 50 30 JIEAMM COc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000102622488 536658718 /nfs/dbraw/zinc/65/87/18/536658718.db2.gz AVLAGYQFVAODRC-AYWGPLOBSA-N -1 1 490.468 4.247 50 30 JIEAMM Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC000006143926 554509517 /nfs/dbraw/zinc/50/95/17/554509517.db2.gz IGSBBOYPTIMRJA-MRXNPFEDSA-N -1 1 456.867 4.191 50 30 JIEAMM CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@H]2c2ccccc2F)nc1C ZINC000008738556 554640044 /nfs/dbraw/zinc/64/00/44/554640044.db2.gz HCZSUVZZLOISDH-QGZVFWFLSA-N -1 1 470.478 4.452 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(OC)cc2)nc1C ZINC000008740691 554642892 /nfs/dbraw/zinc/64/28/92/554642892.db2.gz AKRFCJDEDQZKKW-GOSISDBHSA-N -1 1 482.489 4.169 50 30 JIEAMM CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000008741073 554643584 /nfs/dbraw/zinc/64/35/84/554643584.db2.gz YOZNTCMNAADECN-NRFANRHFSA-N -1 1 464.474 4.182 50 30 JIEAMM CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000008741073 554643585 /nfs/dbraw/zinc/64/35/85/554643585.db2.gz YOZNTCMNAADECN-NRFANRHFSA-N -1 1 464.474 4.182 50 30 JIEAMM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000008895948 554785386 /nfs/dbraw/zinc/78/53/86/554785386.db2.gz VOSWFRLAPYRMPC-QHCPKHFHSA-N -1 1 476.485 4.348 50 30 JIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000008895948 554785388 /nfs/dbraw/zinc/78/53/88/554785388.db2.gz VOSWFRLAPYRMPC-QHCPKHFHSA-N -1 1 476.485 4.348 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(F)c2)nc1C ZINC000009007912 554861512 /nfs/dbraw/zinc/86/15/12/554861512.db2.gz GLUPNUZBDUBGSS-IBGZPJMESA-N -1 1 496.516 4.477 50 30 JIEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC ZINC000013570441 555508812 /nfs/dbraw/zinc/50/88/12/555508812.db2.gz DKYCJTOTHOWYIB-OAQYLSRUSA-N -1 1 452.438 4.312 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000013570527 555508910 /nfs/dbraw/zinc/50/89/10/555508910.db2.gz BAUBRLUZSULGLV-SFHVURJKSA-N -1 1 482.489 4.169 50 30 JIEAMM COc1ccc(Cl)cc1C(=O)C1=C([O-])C(=O)N(c2nnc(C)s2)[C@@H]1c1cccc(F)c1 ZINC000013728032 555601835 /nfs/dbraw/zinc/60/18/35/555601835.db2.gz GAHAITJEFJNRSV-QGZVFWFLSA-N -1 1 459.886 4.431 50 30 JIEAMM C#CCOc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4Cl)[n-]c(=O)c32)cc1 ZINC000086057327 569717181 /nfs/dbraw/zinc/71/71/81/569717181.db2.gz MVBMWRIWDYRIJR-KRWDZBQOSA-N -1 1 451.935 4.202 50 30 JIEAMM O=C(C1=C([O-])C(=O)N(c2ccc(Br)cn2)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000101087244 569782010 /nfs/dbraw/zinc/78/20/10/569782010.db2.gz ZKCTXQNKRTYVSQ-LFVOPCPISA-N -1 1 480.274 4.379 50 30 JIEAMM C=CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000101287167 569789332 /nfs/dbraw/zinc/78/93/32/569789332.db2.gz USVUMBSARBBLTD-ZHHPLPSFSA-N -1 1 476.485 4.191 50 30 JIEAMM C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000101287167 569789333 /nfs/dbraw/zinc/78/93/33/569789333.db2.gz USVUMBSARBBLTD-ZHHPLPSFSA-N -1 1 476.485 4.191 50 30 JIEAMM 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O=[N+]([O-])c1ccc(Nc2nc(N=NCc3cc([N+](=O)[O-])ccc3[O-])nc(Nc3ccccc3)n2)cc1 ZINC000036047266 527369183 /nfs/dbraw/zinc/36/91/83/527369183.db2.gz DGVHNBILEMBZOX-YDZHTSKRSA-N -1 1 487.436 4.327 50 30 JIEAMM CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1 ZINC000102730749 535416852 /nfs/dbraw/zinc/41/68/52/535416852.db2.gz HYVNQYXLIMKKFH-LFVOPCPISA-N -1 1 496.516 4.402 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2ccc(OC)cc2)nc1C ZINC000001017586 553900198 /nfs/dbraw/zinc/90/01/98/553900198.db2.gz ZPTMJGXRMGHDSM-LJQANCHMSA-N -1 1 478.526 4.338 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(OC)cc2)nc1C ZINC000001017586 553900201 /nfs/dbraw/zinc/90/02/01/553900201.db2.gz ZPTMJGXRMGHDSM-LJQANCHMSA-N -1 1 478.526 4.338 50 30 JIEAMM COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2F)nc1C ZINC000001152936 553917384 /nfs/dbraw/zinc/91/73/84/553917384.db2.gz SWMLKQUIDDCSBG-SFHVURJKSA-N -1 1 466.490 4.469 50 30 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