smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(Oc2cccc3cccnc32)c([N+](=O)[O-])c1 ZINC000004718893 181141971 /nfs/dbraw/zinc/14/19/71/181141971.db2.gz KLYAJBVSMYMPQE-UHFFFAOYSA-N 0 0 311.253 3.844 40 5 DHBBRN O=C(O[C@@H]1C[C@H]2C[C@@H]1[C@H]1CCCC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000004946008 181177601 /nfs/dbraw/zinc/17/76/01/181177601.db2.gz TVWQDQFTWSODHJ-USACIQFYSA-N 0 0 315.369 3.966 40 5 DHBBRN C[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1Br ZINC000073639549 191335012 /nfs/dbraw/zinc/33/50/12/191335012.db2.gz CACIHDKNBUPYEB-SNVBAGLBSA-N 0 0 313.195 3.732 40 5 DHBBRN O=NN(CCO)c1nc2ccc(Cl)cc2c2ccccc21 ZINC000004983079 181184201 /nfs/dbraw/zinc/18/42/01/181184201.db2.gz NTAGEQMMDBHIHG-UHFFFAOYSA-N 0 0 301.733 3.522 40 5 DHBBRN COC(=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000005008356 181189872 /nfs/dbraw/zinc/18/98/72/181189872.db2.gz RZPLPSAOYNGXHY-UHFFFAOYSA-N 0 0 307.689 3.827 40 5 DHBBRN CCCN(CCC)c1c2ccccc2sc(=O)c1[N+](=O)[O-] ZINC000005298663 181227922 /nfs/dbraw/zinc/22/79/22/181227922.db2.gz IWHCRBBRAJTUNV-UHFFFAOYSA-N 0 0 306.387 3.796 40 5 DHBBRN Cc1nc2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2s1 ZINC000005344114 181231480 /nfs/dbraw/zinc/23/14/80/181231480.db2.gz SSGOQTNMAWWKOX-UHFFFAOYSA-N 0 0 313.338 3.765 40 5 DHBBRN CC(=O)Nc1cc(Cl)c(Oc2ccccc2)cc1[N+](=O)[O-] ZINC000005663429 181269163 /nfs/dbraw/zinc/26/91/63/181269163.db2.gz CSJOUIXHHVQFBX-UHFFFAOYSA-N 0 0 306.705 3.999 40 5 DHBBRN Cc1nnc(Sc2nc3ccc([N+](=O)[O-])cc3s2)s1 ZINC000005748804 181280359 /nfs/dbraw/zinc/28/03/59/181280359.db2.gz ZPONFIPOZVMYQG-UHFFFAOYSA-N 0 0 310.385 3.516 40 5 DHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(Cl)cc1 ZINC000006216033 181320014 /nfs/dbraw/zinc/32/00/14/181320014.db2.gz UNKUAPWRZWZDMI-UHFFFAOYSA-N 0 0 304.733 3.738 40 5 DHBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C)=C/c1ccccc1 ZINC000006301781 181327710 /nfs/dbraw/zinc/32/77/10/181327710.db2.gz FBFOYJGGEWGZFS-ZRDIBKRKSA-N 0 0 312.325 3.645 40 5 DHBBRN CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000014013225 181919940 /nfs/dbraw/zinc/91/99/40/181919940.db2.gz BZUXBNGLHAJRPI-MRXNPFEDSA-N 0 0 314.341 3.699 40 5 DHBBRN Cc1ccc([C@@H](C)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000020493848 182224655 /nfs/dbraw/zinc/22/46/55/182224655.db2.gz HWAYKENRIXMJCF-BMGYJQCNSA-N 0 0 310.353 3.794 40 5 DHBBRN Cc1cc(C)cc(O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000021126275 182265804 /nfs/dbraw/zinc/26/58/04/182265804.db2.gz XRRNXGQIPULEFY-CYBMUJFWSA-N 0 0 314.341 3.618 40 5 DHBBRN CCCOC(=O)c1cc(-c2ccccc2)cc([N+](=O)[O-])c1OC ZINC000057339879 184033769 /nfs/dbraw/zinc/03/37/69/184033769.db2.gz RQEMIPUGKBXIIC-UHFFFAOYSA-N 0 0 315.325 3.837 40 5 DHBBRN O=C(O[C@H]1C=C[C@H]2CC[C@H]3CC[C@H]1[C@H]23)c1ccc([N+](=O)[O-])cc1 ZINC000071785735 257217270 /nfs/dbraw/zinc/21/72/70/257217270.db2.gz JRZRZDAXZSLBIC-UATIGHTGSA-N 0 0 313.353 3.742 40 5 DHBBRN CC1=Nc2ccccc2NC(=O)/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000039379137 257217552 /nfs/dbraw/zinc/21/75/52/257217552.db2.gz INBCSOWWCRNTAZ-UVTDQMKNSA-N 0 0 307.309 3.723 40 5 DHBBRN CC(=O)Nc1ccccc1SCc1ccccc1[N+](=O)[O-] ZINC000409177097 257221454 /nfs/dbraw/zinc/22/14/54/257221454.db2.gz AMKZGUJDMOHPKL-UHFFFAOYSA-N 0 0 302.355 3.846 40 5 DHBBRN O=C(c1ccc2[nH]c3nc4ccccc4nc3c2c1)N1CCCC1 ZINC000408977930 257224566 /nfs/dbraw/zinc/22/45/66/257224566.db2.gz ZQNIJCXKAUGOEN-UHFFFAOYSA-N 0 0 316.364 3.500 40 5 DHBBRN O=C(Nc1cc2ncccc2c2cccnc12)N1CCCCC1 ZINC000408976513 257224587 /nfs/dbraw/zinc/22/45/87/257224587.db2.gz RHHCYOYVGWRODH-UHFFFAOYSA-N 0 0 306.369 3.801 40 5 DHBBRN O=C(Nc1cccnc1)Nc1cc2ncccc2c2cccnc12 ZINC000408975870 257224714 /nfs/dbraw/zinc/22/47/14/257224714.db2.gz OPJYFLPUTLKKKL-UHFFFAOYSA-N 0 0 315.336 3.822 40 5 DHBBRN O=C(Nc1cc2cccnc2c2cccnc12)N1CCCCC1 ZINC000408975857 257224805 /nfs/dbraw/zinc/22/48/05/257224805.db2.gz OIKPWSREYOXIRZ-UHFFFAOYSA-N 0 0 306.369 3.801 40 5 DHBBRN CC(=O)c1cc([N+](=O)[O-])ccc1-n1cc(C=O)c2ccccc21 ZINC000408583830 257229875 /nfs/dbraw/zinc/22/98/75/257229875.db2.gz XEBJBWGHNRVTNQ-UHFFFAOYSA-N 0 0 308.293 3.554 40 5 DHBBRN CCOc1cc(/C=C(/C)[N+](=O)[O-])ccc1OC(=O)c1ccco1 ZINC000006351021 563332175 /nfs/dbraw/zinc/33/21/75/563332175.db2.gz JGOANTSINDHQSF-LUAWRHEFSA-N 0 0 317.297 3.535 40 5 DHBBRN COc1ccc2nc3ccc4nc5ccccc5nc4c3nc2c1 ZINC000076495020 563506628 /nfs/dbraw/zinc/50/66/28/563506628.db2.gz ADAXVXFBXFOVEY-UHFFFAOYSA-N 0 0 312.332 3.888 40 5 DHBBRN O=[N+]([O-])c1cnc(Oc2cnc3ccccc3c2)c(Cl)c1 ZINC000098175455 563538794 /nfs/dbraw/zinc/53/87/94/563538794.db2.gz DTTHYHBCSITYOW-UHFFFAOYSA-N 0 0 301.689 3.984 40 5 DHBBRN COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OC(C)C ZINC000006825009 563595044 /nfs/dbraw/zinc/59/50/44/563595044.db2.gz ONEKSVDXWQYSQO-SOFGYWHQSA-N 0 0 318.329 3.857 40 5 DHBBRN CC(C)(Cc1ccccc1)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000224845311 563916836 /nfs/dbraw/zinc/91/68/36/563916836.db2.gz UIGOIJRPKDKSCG-VAWYXSNFSA-N 0 0 324.380 3.746 40 5 DHBBRN COc1ccc(C(=O)CCc2cccc([N+](=O)[O-])c2)cc1F ZINC000199731987 563920325 /nfs/dbraw/zinc/92/03/25/563920325.db2.gz ZNCCEJXYBYQXSN-UHFFFAOYSA-N 0 0 303.289 3.558 40 5 DHBBRN O=C(NC1CCCC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000006251254 563921358 /nfs/dbraw/zinc/92/13/58/563921358.db2.gz PUOAAMWNEFIEME-UHFFFAOYSA-N 0 0 300.314 3.527 40 5 DHBBRN CNC(=S)Nc1ccc2sc3nc4ccccc4nc3c2c1 ZINC000033646501 563922901 /nfs/dbraw/zinc/92/29/01/563922901.db2.gz HQAOVGCOIQWWOG-UHFFFAOYSA-N 0 0 324.434 3.914 40 5 DHBBRN CCOc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000052411018 563923122 /nfs/dbraw/zinc/92/31/22/563923122.db2.gz QFIFPSSLQMKNCY-UHFFFAOYSA-N 0 0 302.330 3.614 40 5 DHBBRN CCOc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000010294194 563927876 /nfs/dbraw/zinc/92/78/76/563927876.db2.gz DXMJVYADHBIOQZ-UHFFFAOYSA-N 0 0 320.732 3.899 40 5 DHBBRN COC(=O)c1cc([N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000216806387 563941388 /nfs/dbraw/zinc/94/13/88/563941388.db2.gz NRZFNZSRIRIARJ-UHFFFAOYSA-N 0 0 321.716 3.614 40 5 DHBBRN CC(=O)Nc1ccccc1SCc1ccc([N+](=O)[O-])cc1 ZINC000003075243 563941913 /nfs/dbraw/zinc/94/19/13/563941913.db2.gz DODPGJWQAZRFDX-UHFFFAOYSA-N 0 0 302.355 3.846 40 5 DHBBRN Cc1c(NC(=O)Cc2ccc(Cl)cc2F)cccc1[N+](=O)[O-] ZINC000222960486 568417487 /nfs/dbraw/zinc/41/74/87/568417487.db2.gz PBPSTSOSQKFTCH-UHFFFAOYSA-N 0 0 322.723 3.877 40 5 DHBBRN COc1c(C(=O)N2CCCC[C@H]2C)cc(C(C)C)cc1[N+](=O)[O-] ZINC000072206645 191077307 /nfs/dbraw/zinc/07/73/07/191077307.db2.gz NUWODZSZOFZCFU-GFCCVEGCSA-N 0 0 320.389 3.741 40 5 DHBBRN CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000004773489 181150478 /nfs/dbraw/zinc/15/04/78/181150478.db2.gz VZBJKOLKZKRUSB-DXCKQFNASA-N 0 0 303.358 3.966 40 5 DHBBRN O=C(Nc1ncc([N+](=O)[O-])s1)c1c(Cl)cccc1Cl ZINC000005567415 181257735 /nfs/dbraw/zinc/25/77/35/181257735.db2.gz ARGZRMDELDNHGA-UHFFFAOYSA-N 0 0 318.141 3.610 40 5 DHBBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1ccccn1 ZINC000005590426 181261320 /nfs/dbraw/zinc/26/13/20/181261320.db2.gz WKSFVXMDSHNPGS-UHFFFAOYSA-N 0 0 311.263 3.663 40 5 DHBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC1CCCCCCC1 ZINC000006331682 181331160 /nfs/dbraw/zinc/33/11/60/181331160.db2.gz SZGDOYHWGGXYIW-JLHYYAGUSA-N 0 0 302.374 3.837 40 5 DHBBRN CCOc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13 ZINC000006624372 181362153 /nfs/dbraw/zinc/36/21/53/181362153.db2.gz IJBBBWFVMPBOID-UHFFFAOYSA-N 0 0 314.344 3.991 40 5 biogenic DHBBRN Cc1ccc(C)c(O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000013710570 181882242 /nfs/dbraw/zinc/88/22/42/181882242.db2.gz MVSPWVAZUTWLFE-CYBMUJFWSA-N 0 0 314.341 3.618 40 5 DHBBRN C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000015389149 181999755 /nfs/dbraw/zinc/99/97/55/181999755.db2.gz AYVGMEQBNUQJJZ-QNCMIEPLSA-N 0 0 314.316 3.625 40 5 DHBBRN O=[N+]([O-])c1cc(Cl)cc2c1N[P@@](=O)(c1ccccc1)N2 ZINC000017013195 182067842 /nfs/dbraw/zinc/06/78/42/182067842.db2.gz SUQSZTNNWRCTRY-HXUWFJFHSA-N 0 0 309.649 3.604 40 5 DHBBRN CC[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000017841607 182086035 /nfs/dbraw/zinc/08/60/35/182086035.db2.gz QJQMCVZIQDUNTG-INIZCTEOSA-N 0 0 312.369 3.713 40 5 DHBBRN CCc1ccc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000036623469 182830954 /nfs/dbraw/zinc/83/09/54/182830954.db2.gz VGCQNJDSAYLAPM-CYBMUJFWSA-N 0 0 312.369 3.957 40 5 DHBBRN COc1c(C(=O)OC(C)C)cc(-c2ccccc2)cc1[N+](=O)[O-] ZINC000057339877 184033763 /nfs/dbraw/zinc/03/37/63/184033763.db2.gz MPAPZFFXTVXKLC-UHFFFAOYSA-N 0 0 315.325 3.836 40 5 DHBBRN CC(C)NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408925130 257225523 /nfs/dbraw/zinc/22/55/23/257225523.db2.gz MTUQKVNKYGUUQV-SFQUDFHCSA-N 0 0 310.353 3.660 40 5 DHBBRN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1Br ZINC000036376553 526798469 /nfs/dbraw/zinc/79/84/69/526798469.db2.gz PFGHUOHNFIYAFF-UHFFFAOYSA-N 0 0 306.115 3.588 40 5 DHBBRN C[C@H]1Cc2ccccc2N1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000013596402 563466506 /nfs/dbraw/zinc/46/65/06/563466506.db2.gz IRURXIRLQLYSJM-JTQLQIEISA-N 0 0 316.744 3.840 40 5 DHBBRN Cc1ccc(C(=O)NCc2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000222747504 563788835 /nfs/dbraw/zinc/78/88/35/563788835.db2.gz DDPYKSDAIAMRTA-UHFFFAOYSA-N 0 0 320.348 3.986 40 5 DHBBRN Cc1ccc(C(=O)NCc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000222826315 563788889 /nfs/dbraw/zinc/78/88/89/563788889.db2.gz ZAWNJYGYGNUKAZ-UHFFFAOYSA-N 0 0 320.348 3.986 40 5 DHBBRN Cc1cc(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)ccc1[N+](=O)[O-] ZINC000223155999 563812072 /nfs/dbraw/zinc/81/20/72/563812072.db2.gz VKEWMXUNARHFEN-CYBMUJFWSA-N 0 0 324.380 3.883 40 5 DHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2ccccc2)on1 ZINC000053159926 563832100 /nfs/dbraw/zinc/83/21/00/563832100.db2.gz MTOPQFPKKPHUPU-UHFFFAOYSA-N 0 0 323.308 3.811 40 5 DHBBRN O=[N+]([O-])c1ccccc1NCc1cccc(Br)c1 ZINC000037058872 563905836 /nfs/dbraw/zinc/90/58/36/563905836.db2.gz LMFNMSLZMFAQMD-UHFFFAOYSA-N 0 0 307.147 3.969 40 5 DHBBRN O=[N+]([O-])c1cc(Cl)cc(Cl)c1I ZINC000037291206 563908397 /nfs/dbraw/zinc/90/83/97/563908397.db2.gz XHJSVHPVRDHXFQ-UHFFFAOYSA-N 0 0 317.897 3.506 40 5 DHBBRN COc1cc(/C=C/[N+](=O)[O-])ccc1OCc1ccc(F)cc1 ZINC000033746190 563923185 /nfs/dbraw/zinc/92/31/85/563923185.db2.gz ADPFMYHEROPIEM-CMDGGOBGSA-N 0 0 303.289 3.661 40 5 DHBBRN O=C(Nc1cccc(Cl)c1)C1(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000225990931 563939301 /nfs/dbraw/zinc/93/93/01/563939301.db2.gz OEVLSFDQTKNCEL-UHFFFAOYSA-N 0 0 316.744 3.919 40 5 DHBBRN CC(C)(C)SCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000113933136 568421931 /nfs/dbraw/zinc/42/19/31/568421931.db2.gz FGEPKHYRMJWBIS-UHFFFAOYSA-N 0 0 316.810 3.510 40 5 DHBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1cccc(F)c1 ZINC000007093603 1035285589 /nfs/dbraw/zinc/28/55/89/1035285589.db2.gz RXANOLQFAFMTGU-UHFFFAOYSA-N 0 0 320.345 3.606 40 5 DHBBRN O=[N+]([O-])c1cc(CNc2ccc3c(c2)OCCO3)ccc1Cl ZINC000069787729 190819051 /nfs/dbraw/zinc/81/90/51/190819051.db2.gz YAIBFAZZOWGTRQ-UHFFFAOYSA-N 0 0 320.732 3.632 40 5 DHBBRN NC(=O)c1oc([N+](=O)[O-])c(-c2ccccc2)c1-c1ccccc1 ZINC000001585114 180875765 /nfs/dbraw/zinc/87/57/65/180875765.db2.gz DJBRPVCAYZZUSS-UHFFFAOYSA-N 0 0 308.293 3.621 40 5 DHBBRN C[C@H](SCc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003529178 181030554 /nfs/dbraw/zinc/03/05/54/181030554.db2.gz FMBJROIWCVJWQR-LBPRGKRZSA-N 0 0 316.382 3.855 40 5 DHBBRN O=C(c1ccc(Cl)cc1)[C@H]1C([N+](=O)[O-])[C@H]1c1ccccc1 ZINC000004404102 181107707 /nfs/dbraw/zinc/10/77/07/181107707.db2.gz SJNSSSKLWCVCGM-RRFJBIMHSA-N 0 0 301.729 3.582 40 5 DHBBRN Clc1ccccc1-c1nc2nonc2c2nc3ccccc3n21 ZINC000005338273 181231664 /nfs/dbraw/zinc/23/16/64/181231664.db2.gz VBZHPKSYWYTPRQ-UHFFFAOYSA-N 0 0 321.727 3.739 40 5 DHBBRN Cc1ccc(C(=O)Nc2ccc(OC(C)C)cc2)cc1[N+](=O)[O-] ZINC000005815013 181286324 /nfs/dbraw/zinc/28/63/24/181286324.db2.gz CQXZRXKGNGVXGX-UHFFFAOYSA-N 0 0 314.341 3.943 40 5 DHBBRN Cc1c(C(=O)N[C@H](C)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000015649024 182010400 /nfs/dbraw/zinc/01/04/00/182010400.db2.gz XLNLJPDMTHSNFV-LLVKDONJSA-N 0 0 302.305 3.533 40 5 DHBBRN O=Cc1cc([N+](=O)[O-])ccc1Sc1nc2ccccc2o1 ZINC000016545291 182049303 /nfs/dbraw/zinc/04/93/03/182049303.db2.gz BESXGCRNBVBMQY-UHFFFAOYSA-N 0 0 300.295 3.700 40 5 DHBBRN CC[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000020460216 182220297 /nfs/dbraw/zinc/22/02/97/182220297.db2.gz BHMCRFRTXLFEMR-FMQWLBJXSA-N 0 0 310.353 3.876 40 5 DHBBRN Cc1ccccc1CNc1nccc(Br)c1[N+](=O)[O-] ZINC000039956684 183024362 /nfs/dbraw/zinc/02/43/62/183024362.db2.gz BHTHXWNFURAVPH-UHFFFAOYSA-N 0 0 322.162 3.673 40 5 DHBBRN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Cl ZINC000040114261 183037012 /nfs/dbraw/zinc/03/70/12/183037012.db2.gz RQISAMUFYJSPOL-UHFFFAOYSA-N 0 0 320.732 3.818 40 5 DHBBRN CC(=O)Nc1cc(N2CCCC[C@@H]2C)c([N+](=O)[O-])cc1Cl ZINC000045891642 183534620 /nfs/dbraw/zinc/53/46/20/183534620.db2.gz DQBIZVDAXYOMHX-VIFPVBQESA-N 0 0 311.769 3.585 40 5 DHBBRN Cc1c(NC(=O)c2ccc(F)c(F)c2F)cccc1[N+](=O)[O-] ZINC000028210946 256531238 /nfs/dbraw/zinc/53/12/38/256531238.db2.gz PZYCCRXQBTUSFU-UHFFFAOYSA-N 0 0 310.231 3.573 40 5 DHBBRN CN1C(=O)N/C(=C/c2c3ccccc3cc3ccccc32)C1=O ZINC000409192627 257221518 /nfs/dbraw/zinc/22/15/18/257221518.db2.gz CYSILSUOPBMHAG-GZTJUZNOSA-N 0 0 302.333 3.516 40 5 DHBBRN COc1cccc(NC(=O)c2coc3ccc([N+](=O)[O-])cc23)c1 ZINC000408967733 257225372 /nfs/dbraw/zinc/22/53/72/257225372.db2.gz UDFMCAVCALDNLP-UHFFFAOYSA-N 0 0 312.281 3.602 40 5 DHBBRN CCCCOc1cc(Cl)c(C(=O)OCC)cc1[N+](=O)[O-] ZINC000225726422 262484592 /nfs/dbraw/zinc/48/45/92/262484592.db2.gz KYSJUUDLNOAWQF-UHFFFAOYSA-N 0 0 301.726 3.604 40 5 DHBBRN CCCOc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000014036498 563556958 /nfs/dbraw/zinc/55/69/58/563556958.db2.gz ACCRJPBDFFQTBH-UHFFFAOYSA-N 0 0 300.314 3.636 40 5 DHBBRN Cc1cccc(-c2cc(-c3cccc([N+](=O)[O-])c3)nc(N)n2)c1 ZINC000071977563 563566176 /nfs/dbraw/zinc/56/61/76/563566176.db2.gz ZBSZSJHFXULREJ-UHFFFAOYSA-N 0 0 306.325 3.609 40 5 DHBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1c(F)cccc1F ZINC000015011270 563645234 /nfs/dbraw/zinc/64/52/34/563645234.db2.gz VLCYXSRHPDDKER-BQYQJAHWSA-N 0 0 304.252 3.525 40 5 DHBBRN CC(=O)Nc1c2c(ccc1Cl)-c1ccc([N+](=O)[O-])cc1C2 ZINC000001638401 563863712 /nfs/dbraw/zinc/86/37/12/563863712.db2.gz VSKHNKLUBZYVGR-UHFFFAOYSA-N 0 0 302.717 3.778 40 5 DHBBRN O=[N+]([O-])c1ccc([C@@H](O)C=C(C(F)(F)F)C(F)(F)F)cc1 ZINC000001673788 563864237 /nfs/dbraw/zinc/86/42/37/563864237.db2.gz TWLCREFRVFADNC-QMMMGPOBSA-N 0 0 315.169 3.679 40 5 DHBBRN O=C1c2ccccc2-c2ccc([N+](=O)[O-])c(Br)c21 ZINC000001704666 563866337 /nfs/dbraw/zinc/86/63/37/563866337.db2.gz JGCJPMDFBFJJDI-UHFFFAOYSA-N 0 0 304.099 3.569 40 5 DHBBRN CC1(C)C[C@@]2(O[C@H]2c2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc21 ZINC000001754475 563877497 /nfs/dbraw/zinc/87/74/97/563877497.db2.gz AGBKNQAIKTUWMO-PKOBYXMFSA-N 0 0 323.348 3.969 40 5 DHBBRN CCc1ccc(CC)c(CNC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000224666216 563913936 /nfs/dbraw/zinc/91/39/36/563913936.db2.gz KAUPNMCQWIKPFQ-UHFFFAOYSA-N 0 0 312.369 3.650 40 5 DHBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1conc1-c1ccccc1 ZINC000225871746 563939222 /nfs/dbraw/zinc/93/92/22/563939222.db2.gz KCMBODXRNPXBMF-UHFFFAOYSA-N 0 0 309.281 3.502 40 5 DHBBRN Cc1ccc(N(C)C(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)cc1C ZINC000225990153 563939404 /nfs/dbraw/zinc/93/94/04/563939404.db2.gz NSTGPQHKBYMAEU-UHFFFAOYSA-N 0 0 324.380 3.906 40 5 DHBBRN CCC[C@H](Nc1cccc([N+](=O)[O-])c1)n1nnc2ccccc21 ZINC000003032626 563941592 /nfs/dbraw/zinc/94/15/92/563941592.db2.gz YBGIZBDXNVYLOS-MRXNPFEDSA-N 0 0 311.345 3.750 40 5 DHBBRN O=C(Nc1cccc(Cl)c1)n1ncc2ccc([N+](=O)[O-])cc21 ZINC000006925981 568418948 /nfs/dbraw/zinc/41/89/48/568418948.db2.gz YHHQHLTVLKLRJY-UHFFFAOYSA-N 0 0 316.704 3.678 40 5 DHBBRN COc1cc2c(Cl)c([N+](=O)[O-])cnc2cc1Br ZINC000256053095 1019706974 /nfs/dbraw/zinc/70/69/74/1019706974.db2.gz PZINOHQCRGXOGP-UHFFFAOYSA-N 0 0 317.526 3.568 40 5 DHBBRN CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc(OC)cc1 ZINC000072228711 191077178 /nfs/dbraw/zinc/07/71/78/191077178.db2.gz UMYZDHIRLKXKKV-UHFFFAOYSA-N 0 0 314.341 3.727 40 5 DHBBRN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc2ccccc2c1 ZINC000000357183 180765920 /nfs/dbraw/zinc/76/59/20/180765920.db2.gz MOYFTXWQQNBSRJ-UHFFFAOYSA-N 0 0 318.288 3.549 40 5 DHBBRN C[C@@H](SCc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003529179 181030719 /nfs/dbraw/zinc/03/07/19/181030719.db2.gz FMBJROIWCVJWQR-GFCCVEGCSA-N 0 0 316.382 3.855 40 5 DHBBRN O=C(CSc1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003523629 181029834 /nfs/dbraw/zinc/02/98/34/181029834.db2.gz DJIGYNCZYOOYNC-UHFFFAOYSA-N 0 0 322.773 3.979 40 5 DHBBRN CCOC(=O)/C=C/c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC000004294145 181093922 /nfs/dbraw/zinc/09/39/22/181093922.db2.gz JYVKYNLSKCUEOT-VQHVLOKHSA-N 0 0 301.298 3.740 40 5 DHBBRN Nc1nnc(/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)s1 ZINC000005368805 181235376 /nfs/dbraw/zinc/23/53/76/181235376.db2.gz MPIKJNPBYLUZGV-GXDHUFHOSA-N 0 0 324.365 3.617 40 5 DHBBRN CC(=O)OCCC/C(=C/c1ccc(Cl)c(Cl)c1)[N+](=O)[O-] ZINC000005431837 181242928 /nfs/dbraw/zinc/24/29/28/181242928.db2.gz SIQPTSZXGQMMDM-XFFZJAGNSA-N 0 0 318.156 3.954 40 5 DHBBRN Cc1cc(C(=O)NCCc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000006903914 181403642 /nfs/dbraw/zinc/40/36/42/181403642.db2.gz QKUNOHOSKCXABA-UHFFFAOYSA-N 0 0 318.760 3.529 40 5 DHBBRN Cc1c(C(=O)N[C@@H](C)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000015649026 182010278 /nfs/dbraw/zinc/01/02/78/182010278.db2.gz XLNLJPDMTHSNFV-NSHDSACASA-N 0 0 302.305 3.533 40 5 DHBBRN Cc1cccc(CNc2ncc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000039956699 183024272 /nfs/dbraw/zinc/02/42/72/183024272.db2.gz VUFBZOSFZZFRER-UHFFFAOYSA-N 0 0 311.263 3.929 40 5 DHBBRN O=[N+]([O-])c1ccc2[nH]c(-c3cccc(Br)c3)nc2c1 ZINC000040169842 183043352 /nfs/dbraw/zinc/04/33/52/183043352.db2.gz INXUMQJXZBQVTH-UHFFFAOYSA-N 0 0 318.130 3.901 40 5 DHBBRN CCOC(=O)c1ccc(-c2cc(Cl)c(C)cc2[N+](=O)[O-])o1 ZINC000040541586 183097697 /nfs/dbraw/zinc/09/76/97/183097697.db2.gz SPMINMXHNQSZBH-UHFFFAOYSA-N 0 0 309.705 3.993 40 5 DHBBRN COc1ccc(NC(=O)c2ccc(C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000014258174 256525935 /nfs/dbraw/zinc/52/59/35/256525935.db2.gz YFZNWOHSNUGMJW-UHFFFAOYSA-N 0 0 320.732 3.818 40 5 DHBBRN O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(F)cc3[C@@H]3OCC[C@@H]32)cc1 ZINC000409189333 257221041 /nfs/dbraw/zinc/22/10/41/257221041.db2.gz JKJZMFDCJNOUIY-XOKHGSTOSA-N 0 0 314.316 3.978 40 5 DHBBRN Cc1oc2c(c1C(=O)Nc1cccc([N+](=O)[O-])c1)CCCC2 ZINC000408768649 257226978 /nfs/dbraw/zinc/22/69/78/257226978.db2.gz ZMWOBSLIIFTYCK-UHFFFAOYSA-N 0 0 300.314 3.627 40 5 DHBBRN CC[C@H](Oc1ccccc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000078700600 331675110 /nfs/dbraw/zinc/67/51/10/331675110.db2.gz XDLMZERRJDSALO-AWEZNQCLSA-N 0 0 318.304 3.530 40 5 DHBBRN Cc1cc(Cl)ccc1OC(=O)COc1ccccc1[N+](=O)[O-] ZINC000000122576 563571705 /nfs/dbraw/zinc/57/17/05/563571705.db2.gz DPZCFKNEEOUKMG-UHFFFAOYSA-N 0 0 321.716 3.541 40 5 DHBBRN O=[N+]([O-])c1ccc(NCCCNc2ccccn2)c(Cl)c1 ZINC000060842774 563675683 /nfs/dbraw/zinc/67/56/83/563675683.db2.gz CHLHAROYZOEBHO-UHFFFAOYSA-N 0 0 306.753 3.557 40 5 DHBBRN CCN(CC)c1cc(NC(=O)C(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000045891837 563690649 /nfs/dbraw/zinc/69/06/49/563690649.db2.gz HNRCBKHCOGVFAI-UHFFFAOYSA-N 0 0 313.785 3.689 40 5 DHBBRN CCN(CC)C(=S)Nc1cc2cccnc2c2cccnc12 ZINC000033667738 563770264 /nfs/dbraw/zinc/77/02/64/563770264.db2.gz CICSDPNRMGTXLL-UHFFFAOYSA-N 0 0 310.426 3.822 40 5 DHBBRN CC1CCN(C(=O)c2ccc3nc4ccccc4nc3c2)CC1 ZINC000096573879 563774451 /nfs/dbraw/zinc/77/44/51/563774451.db2.gz MOTCQFLPUXRNQK-UHFFFAOYSA-N 0 0 305.381 3.655 40 5 DHBBRN CCOC(=O)c1cc([N+](=O)[O-])ccc1N(C)C1CCCCC1 ZINC000216772478 563852052 /nfs/dbraw/zinc/85/20/52/563852052.db2.gz KGQBQDHNLFNJQY-UHFFFAOYSA-N 0 0 306.362 3.540 40 5 DHBBRN O=C(Nc1cccc(Cl)c1)OCc1ccc([N+](=O)[O-])cc1 ZINC000016399023 563871464 /nfs/dbraw/zinc/87/14/64/563871464.db2.gz IZJMCNASSJMHSJ-UHFFFAOYSA-N 0 0 306.705 3.997 40 5 DHBBRN O=[N+]([O-])c1ccc(Nc2cc(Cl)nc(C(F)(F)F)n2)cc1 ZINC000329044260 563930285 /nfs/dbraw/zinc/93/02/85/563930285.db2.gz SVUFHZMFFOJZHV-UHFFFAOYSA-N 0 0 318.642 3.801 40 5 DHBBRN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000007963031 563931296 /nfs/dbraw/zinc/93/12/96/563931296.db2.gz YXTNMTPAZPRCJG-LLVKDONJSA-N 0 0 318.760 3.782 40 5 DHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(F)c(F)c1F ZINC000028210941 563938787 /nfs/dbraw/zinc/93/87/87/563938787.db2.gz YADKYDVQQZFNTD-UHFFFAOYSA-N 0 0 310.231 3.573 40 5 DHBBRN COc1cccc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000003153058 563942499 /nfs/dbraw/zinc/94/24/99/563942499.db2.gz CHTFUBKEAACPFJ-UHFFFAOYSA-N 0 0 306.299 3.663 40 5 DHBBRN O=c1[nH]c2cc(Cl)cc([N+](=O)[O-])c2c2ccc(Cl)cc12 ZINC000008628478 1021587481 /nfs/dbraw/zinc/58/74/81/1021587481.db2.gz ZJQNRSVFUWYGRT-UHFFFAOYSA-N 0 0 309.108 3.896 40 5 DHBBRN Cc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 ZINC000225990749 201765070 /nfs/dbraw/zinc/76/50/70/201765070.db2.gz XHPLASRITSUFPD-UHFFFAOYSA-N 0 0 310.353 3.882 40 5 DHBBRN COc1c(C(=O)N2CCCC[C@@H]2C)cc(C(C)C)cc1[N+](=O)[O-] ZINC000072206647 191076906 /nfs/dbraw/zinc/07/69/06/191076906.db2.gz NUWODZSZOFZCFU-LBPRGKRZSA-N 0 0 320.389 3.741 40 5 DHBBRN Cc1ccc(OCC(=O)Nc2c(C)cc([N+](=O)[O-])cc2C)cc1 ZINC000072228781 191077582 /nfs/dbraw/zinc/07/75/82/191077582.db2.gz GIKXKHZULKWDSC-UHFFFAOYSA-N 0 0 314.341 3.538 40 5 DHBBRN O=[N+]([O-])c1cccc(SNSc2cccc([N+](=O)[O-])c2)c1 ZINC000001563333 180873547 /nfs/dbraw/zinc/87/35/47/180873547.db2.gz CWXSYXJUCHZZNN-UHFFFAOYSA-N 0 0 323.355 3.807 40 5 DHBBRN CC(=O)OCCC/C(=C\c1ccc(Cl)c(Cl)c1)[N+](=O)[O-] ZINC000005004085 181189099 /nfs/dbraw/zinc/18/90/99/181189099.db2.gz SIQPTSZXGQMMDM-YRNVUSSQSA-N 0 0 318.156 3.954 40 5 DHBBRN O=C(Nc1cc2c(cc1[N+](=O)[O-])Cc1ccccc1-2)C(F)(F)F ZINC000005734676 181278378 /nfs/dbraw/zinc/27/83/78/181278378.db2.gz VMWUCSNXXORIQE-UHFFFAOYSA-N 0 0 322.242 3.667 40 5 DHBBRN Cc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000017297302 182081673 /nfs/dbraw/zinc/08/16/73/182081673.db2.gz RYGCVVGNHSRNDX-UHFFFAOYSA-N 0 0 318.760 3.529 40 5 DHBBRN O=[N+]([O-])c1cc(Br)ccc1NCc1ccccc1 ZINC000019984449 182173660 /nfs/dbraw/zinc/17/36/60/182173660.db2.gz RIKPCPQNHLTPHL-UHFFFAOYSA-N 0 0 307.147 3.969 40 5 DHBBRN O=C(c1sc2c(cccc2[N+](=O)[O-])c1Cl)N1CCCC1 ZINC000020160256 182194261 /nfs/dbraw/zinc/19/42/61/182194261.db2.gz CBJFSGUGGDKBQO-UHFFFAOYSA-N 0 0 310.762 3.699 40 5 DHBBRN CC[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000020460217 182219941 /nfs/dbraw/zinc/21/99/41/182219941.db2.gz BHMCRFRTXLFEMR-FLVLSHQESA-N 0 0 310.353 3.876 40 5 DHBBRN COC(=O)c1ccc(NCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000022795967 182335365 /nfs/dbraw/zinc/33/53/65/182335365.db2.gz RMFXUSDVZMFURR-UHFFFAOYSA-N 0 0 320.732 3.647 40 5 DHBBRN COC(=O)c1c(O)c2ccccc2c2oc(=O)c3ccccc3c21 ZINC000044138647 183396686 /nfs/dbraw/zinc/39/66/86/183396686.db2.gz LBJRDIOYUNBNMI-UHFFFAOYSA-N 0 0 320.300 3.592 40 5 DHBBRN C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCC2 ZINC000053387749 183901155 /nfs/dbraw/zinc/90/11/55/183901155.db2.gz WOLXJXUOKHXPTL-CYBMUJFWSA-N 0 0 324.380 3.503 40 5 DHBBRN O=C(/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)N1CCCC1 ZINC000408925311 257225397 /nfs/dbraw/zinc/22/53/97/257225397.db2.gz OXDPSBHJQWRFLA-NBVRZTHBSA-N 0 0 322.364 3.758 40 5 DHBBRN CCN(CC)C(=O)c1ccc2nc3[nH]c4ccccc4c3nc2c1 ZINC000408723017 257227624 /nfs/dbraw/zinc/22/76/24/257227624.db2.gz YZLMDFQWJSAILY-UHFFFAOYSA-N 0 0 318.380 3.746 40 5 DHBBRN COC(=O)C(=Cc1c2ccccc2cc2ccccc21)C(=O)OC ZINC000001593366 563286743 /nfs/dbraw/zinc/28/67/43/563286743.db2.gz LCSRLQSOHBBXCD-UHFFFAOYSA-N 0 0 320.344 3.722 40 5 DHBBRN COc1cccc(NC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000008331083 563345824 /nfs/dbraw/zinc/34/58/24/563345824.db2.gz RBMNUPYTDDAGPS-UHFFFAOYSA-N 0 0 301.302 3.556 40 5 DHBBRN O=[N+]([O-])c1cc(Cl)c(I)cc1Cl ZINC000045891424 563690541 /nfs/dbraw/zinc/69/05/41/563690541.db2.gz UFTZUBALSGRNEJ-UHFFFAOYSA-N 0 0 317.897 3.506 40 5 DHBBRN CCOc1ccc(/C=C\c2onc(C)c2[N+](=O)[O-])cc1OCC ZINC000033308030 563769533 /nfs/dbraw/zinc/76/95/33/563769533.db2.gz YDFRJNUPAZGGFS-CLFYSBASSA-N 0 0 318.329 3.859 40 5 DHBBRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCC2 ZINC000223148367 563811714 /nfs/dbraw/zinc/81/17/14/563811714.db2.gz DIAMMNRMTIUKBX-GFCCVEGCSA-N 0 0 310.353 3.575 40 5 DHBBRN COc1ccccc1OC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000001640276 563863716 /nfs/dbraw/zinc/86/37/16/563863716.db2.gz KKFHJZGUORTXBF-UHFFFAOYSA-N 0 0 302.286 3.523 40 5 DHBBRN O=[N+]([O-])c1ccc2[nH]c(SCc3cccc(F)c3)nc2c1 ZINC000006448054 563878697 /nfs/dbraw/zinc/87/86/97/563878697.db2.gz XZFGOCVHWNCGIJ-UHFFFAOYSA-N 0 0 303.318 3.903 40 5 DHBBRN CCc1ccccc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000225990825 563886347 /nfs/dbraw/zinc/88/63/47/563886347.db2.gz VNGCQDCEHULPDI-UHFFFAOYSA-N 0 0 310.353 3.828 40 5 DHBBRN COc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13 ZINC000008792542 563887821 /nfs/dbraw/zinc/88/78/21/563887821.db2.gz WTRVEBZOWFNGEQ-UHFFFAOYSA-N 0 0 300.317 3.601 40 5 biogenic DHBBRN Cc1cc(C(=O)NCCSC2CCCCC2)ccc1[N+](=O)[O-] ZINC000020241923 563922822 /nfs/dbraw/zinc/92/28/22/563922822.db2.gz RCOOOWQARZLASF-UHFFFAOYSA-N 0 0 322.430 3.699 40 5 DHBBRN S=C(Nc1ccc2nc3ccccc3nc2c1)N1CCCCC1 ZINC000033660380 563923167 /nfs/dbraw/zinc/92/31/67/563923167.db2.gz BKWZUAOLUJGWIT-UHFFFAOYSA-N 0 0 322.437 3.966 40 5 DHBBRN COc1cccc(NC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000113520565 563927680 /nfs/dbraw/zinc/92/76/80/563927680.db2.gz GTIHGMRXTCEYFI-UHFFFAOYSA-N 0 0 301.302 3.556 40 5 DHBBRN Cc1c(NC(=O)Cc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000067793718 563928178 /nfs/dbraw/zinc/92/81/78/563928178.db2.gz GRYAFSAPGNIBBO-UHFFFAOYSA-N 0 0 304.733 3.738 40 5 DHBBRN C[C@@H]1Cc2ccccc2N1C(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000225989620 563939405 /nfs/dbraw/zinc/93/94/05/563939405.db2.gz SCAPBQJLGPWTBH-CYBMUJFWSA-N 0 0 322.364 3.604 40 5 DHBBRN Cc1c(Nc2cc(Cl)nc(C(C)C)n2)cccc1[N+](=O)[O-] ZINC000329031731 563959673 /nfs/dbraw/zinc/95/96/73/563959673.db2.gz QKOFJDYNQIEYHZ-UHFFFAOYSA-N 0 0 306.753 4.214 40 5 DHBBRN C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003514852 190618337 /nfs/dbraw/zinc/61/83/37/190618337.db2.gz LTHIBIFSXGSVNE-SNVBAGLBSA-N 0 0 320.732 3.654 40 5 DHBBRN COc1c(C(=O)NC2CCCCC2)cc(C(C)C)cc1[N+](=O)[O-] ZINC000072206611 191077367 /nfs/dbraw/zinc/07/73/67/191077367.db2.gz NERHKNXDBGZQIK-UHFFFAOYSA-N 0 0 320.389 3.789 40 5 DHBBRN O=[N+]([O-])c1ccc2[nH]c(COc3ccc(Cl)cc3)nc2c1 ZINC000000911892 180837349 /nfs/dbraw/zinc/83/73/49/180837349.db2.gz VSUIYMOXSPQRGD-UHFFFAOYSA-N 0 0 303.705 3.704 40 5 DHBBRN O=C(Cc1cccc2ccccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000004070632 181069980 /nfs/dbraw/zinc/06/99/80/181069980.db2.gz OUSVWFFSONKRRY-UHFFFAOYSA-N 0 0 306.321 3.929 40 5 DHBBRN Cc1ccc(NCC[NH+](C)C)c2c(=O)c3ccccc3sc12 ZINC000004522686 181119459 /nfs/dbraw/zinc/11/94/59/181119459.db2.gz SBEJXXYKYPPVSK-UHFFFAOYSA-N 0 0 312.438 3.697 40 5 DHBBRN CC(=O)Nc1c([N+](=O)[O-])cc(C2CCCCC2)cc1[N+](=O)[O-] ZINC000004706309 181140224 /nfs/dbraw/zinc/14/02/24/181140224.db2.gz UGINZABNXHHNAT-UHFFFAOYSA-N 0 0 307.306 3.509 40 5 DHBBRN O=C(O[C@H]1C[C@H]2C[C@@H]1[C@H]1CCCC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000004946009 181177548 /nfs/dbraw/zinc/17/75/48/181177548.db2.gz TVWQDQFTWSODHJ-CMZRPVNOSA-N 0 0 315.369 3.966 40 5 DHBBRN CCCCOCN(COCCCC)c1ccc([N+](=O)[O-])cc1 ZINC000005390117 181237764 /nfs/dbraw/zinc/23/77/64/181237764.db2.gz YYLZTYJIVCAFNI-UHFFFAOYSA-N 0 0 310.394 3.950 40 5 DHBBRN Nc1cc(Sc2nc3ccccc3s2)cc([N+](=O)[O-])c1 ZINC000005338689 181231852 /nfs/dbraw/zinc/23/18/52/181231852.db2.gz ADNZQNRVJBMNKC-UHFFFAOYSA-N 0 0 303.368 3.938 40 5 DHBBRN CC(C)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000005644352 181267404 /nfs/dbraw/zinc/26/74/04/181267404.db2.gz NRLSVZHWSQXLMX-UHFFFAOYSA-N 0 0 300.314 3.634 40 5 DHBBRN Cc1cc([N+](=O)[O-])cc2nc(-c3cc(N)ccc3Cl)oc21 ZINC000216925922 201502921 /nfs/dbraw/zinc/50/29/21/201502921.db2.gz QYSRQQYFHIZZDW-UHFFFAOYSA-N 0 0 303.705 3.947 40 5 DHBBRN Cc1cccc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000008267217 181541808 /nfs/dbraw/zinc/54/18/08/181541808.db2.gz KFWGMZYQQJYXHD-ZDUSSCGKSA-N 0 0 314.341 3.618 40 5 DHBBRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc2ccccc21 ZINC000015541766 182006076 /nfs/dbraw/zinc/00/60/76/182006076.db2.gz XCRVPHCSCYRORT-UHFFFAOYSA-N 0 0 306.321 3.929 40 5 DHBBRN CN(Cc1ccc(Cl)cc1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000015649906 182010417 /nfs/dbraw/zinc/01/04/17/182010417.db2.gz TYGWJNFJJCINMP-UHFFFAOYSA-N 0 0 304.733 3.520 40 5 DHBBRN CN(Cc1ccc(Cl)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000017917576 182087778 /nfs/dbraw/zinc/08/77/78/182087778.db2.gz UIRAPDHCIYEYGA-UHFFFAOYSA-N 0 0 304.733 3.520 40 5 DHBBRN Cc1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000020458849 182220223 /nfs/dbraw/zinc/22/02/23/182220223.db2.gz MXXHKGNSYOFREV-UHFFFAOYSA-N 0 0 318.760 3.829 40 5 DHBBRN O=[N+]([O-])c1cc(C(F)(F)F)cnc1NCc1cccc(F)c1 ZINC000039956673 183024283 /nfs/dbraw/zinc/02/42/83/183024283.db2.gz MYYUGBWCRRTKFQ-UHFFFAOYSA-N 0 0 315.226 3.760 40 5 DHBBRN Cc1cccc(CNc2nccc(Br)c2[N+](=O)[O-])c1 ZINC000039956694 183024470 /nfs/dbraw/zinc/02/44/70/183024470.db2.gz KKPOAUDYZVOUPT-UHFFFAOYSA-N 0 0 322.162 3.673 40 5 DHBBRN CN(C)C(=S)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000040542502 183098680 /nfs/dbraw/zinc/09/86/80/183098680.db2.gz FRDUEVPTBXUFME-UHFFFAOYSA-N 0 0 310.762 3.745 40 5 DHBBRN O=c1[nH]c(-c2ccc(F)cc2)cc2c3ccccc3oc(=O)c12 ZINC000408721173 257228019 /nfs/dbraw/zinc/22/80/19/257228019.db2.gz LZIUSBMIOWIJFL-UHFFFAOYSA-N 0 0 307.280 3.853 40 5 DHBBRN CCCCCC(=O)Nc1nc2c(cc([N+](=O)[O-])cc2OC)s1 ZINC000010010583 517555470 /nfs/dbraw/zinc/55/54/70/517555470.db2.gz WDAZERKKBCRONC-UHFFFAOYSA-N 0 0 323.374 3.732 40 5 DHBBRN Cc1cc(C)c(C)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000005474552 563329556 /nfs/dbraw/zinc/32/95/56/563329556.db2.gz SJLPEAJYOKRGCN-UHFFFAOYSA-N 0 0 314.341 3.538 40 5 DHBBRN O=c1c2cccc3cc([N+](=O)[O-])cc(c4nc5ccccc5n41)c32 ZINC000000825625 563614603 /nfs/dbraw/zinc/61/46/03/563614603.db2.gz WARRCAKHDYMDJG-UHFFFAOYSA-N 0 0 315.288 3.500 40 5 DHBBRN C[C@@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000014604988 563671847 /nfs/dbraw/zinc/67/18/47/563671847.db2.gz ICOWHZWJFMXDAS-NSHDSACASA-N 0 0 318.760 3.782 40 5 DHBBRN Cc1ccc([C@H](C)NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000044880256 563685227 /nfs/dbraw/zinc/68/52/27/563685227.db2.gz CTTBTTRLUPPVOF-AWEZNQCLSA-N 0 0 312.369 3.632 40 5 DHBBRN O=[N+]([O-])c1cc(Br)cc(Cl)c1N1CCCC1 ZINC000045958996 563691096 /nfs/dbraw/zinc/69/10/96/563691096.db2.gz SMVAZOLAJFETRM-UHFFFAOYSA-N 0 0 305.559 3.611 40 5 DHBBRN O=C1c2cc(Br)ccc2-c2ccc([N+](=O)[O-])cc21 ZINC000001580944 563863159 /nfs/dbraw/zinc/86/31/59/563863159.db2.gz IFYJYXRGISYHRS-UHFFFAOYSA-N 0 0 304.099 3.569 40 5 DHBBRN O=C(c1ccc(Cl)cc1)[C@@H]1C([N+](=O)[O-])[C@H]1c1ccccc1 ZINC000001672843 563864130 /nfs/dbraw/zinc/86/41/30/563864130.db2.gz SJNSSSKLWCVCGM-SOUVJXGZSA-N 0 0 301.729 3.582 40 5 DHBBRN O=C(Nc1ccccc1F)c1coc2ccc([N+](=O)[O-])cc12 ZINC000137584400 563866039 /nfs/dbraw/zinc/86/60/39/563866039.db2.gz JZCLTDCXSQNAHT-UHFFFAOYSA-N 0 0 300.245 3.732 40 5 DHBBRN CC(=O)Nc1ccc(OCCCc2ccccc2)c([N+](=O)[O-])c1 ZINC000001750820 563877856 /nfs/dbraw/zinc/87/78/56/563877856.db2.gz IOWXRVUKIRUWSO-UHFFFAOYSA-N 0 0 314.341 3.565 40 5 DHBBRN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000007518774 563907402 /nfs/dbraw/zinc/90/74/02/563907402.db2.gz KOFNBXFPVFPOHV-WDMOLILDSA-N 0 0 307.419 3.706 40 5 DHBBRN C[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000007522374 563908059 /nfs/dbraw/zinc/90/80/59/563908059.db2.gz XFZGTPKGTLLDSJ-LLVKDONJSA-N 0 0 301.371 3.642 40 5 DHBBRN O=C(c1c[nH]c2cc(Cl)ccc12)c1ccc([N+](=O)[O-])cc1 ZINC000199721500 563920348 /nfs/dbraw/zinc/92/03/48/563920348.db2.gz AFULQCZGHOCZRM-UHFFFAOYSA-N 0 0 300.701 3.961 40 5 DHBBRN O=C(Nc1ccc(F)cc1F)c1coc2ccc([N+](=O)[O-])cc12 ZINC000140014295 563923530 /nfs/dbraw/zinc/92/35/30/563923530.db2.gz SAELGLHOFWIXMS-UHFFFAOYSA-N 0 0 318.235 3.872 40 5 DHBBRN CC1(C)[C@@H]2CC[C@@H](C2)[C@@H]1COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000009087878 563927630 /nfs/dbraw/zinc/92/76/30/563927630.db2.gz TXIQBHGJBMGFNT-GUTXKFCHSA-N 0 0 303.358 3.824 40 5 DHBBRN O=C(CCc1ccc(F)cc1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000225709860 563938383 /nfs/dbraw/zinc/93/83/83/563938383.db2.gz WIGHKMGZBODWHS-UHFFFAOYSA-N 0 0 322.723 3.959 40 5 DHBBRN Cc1cc([N+](=O)[O-])cc2nc(-c3ccc(Cl)c(N)c3)oc21 ZINC000216926222 563941665 /nfs/dbraw/zinc/94/16/65/563941665.db2.gz VPTWVJXIHNDUBD-UHFFFAOYSA-N 0 0 303.705 3.947 40 5 DHBBRN O=[N+]([O-])c1cc(Br)ccc1SC(F)(F)F ZINC000604221705 563943731 /nfs/dbraw/zinc/94/37/31/563943731.db2.gz XMTPHGKQWPKYFS-UHFFFAOYSA-N 0 0 302.071 3.969 40 5 DHBBRN CCC[C@@H]1N=C(c2ccccc2)[C@@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)N21 ZINC000031670032 563944572 /nfs/dbraw/zinc/94/45/72/563944572.db2.gz BUDPWQYXDVEPCV-UHIUIGMWSA-N 0 0 321.380 3.949 40 5 DHBBRN CC(=O)Nc1c(Cl)cc2c3ccccc3c(=O)[nH]c2c1Cl ZINC000017429294 190643705 /nfs/dbraw/zinc/64/37/05/190643705.db2.gz XTZKQPWKUAIPKM-UHFFFAOYSA-N 0 0 321.163 3.947 40 5 DHBBRN CCN(CC)c1c(Cl)cc(C(=O)OC(C)C)cc1[N+](=O)[O-] ZINC000070462219 190898917 /nfs/dbraw/zinc/89/89/17/190898917.db2.gz PRXLUHNKBTUSQT-UHFFFAOYSA-N 0 0 314.769 3.660 40 5 DHBBRN Cc1ccc([N+](=O)[O-])cc1NCc1cc2cccc(C)c2[nH]c1=O ZINC000004126219 181076827 /nfs/dbraw/zinc/07/68/27/181076827.db2.gz RAHVWVPWGFVJKB-UHFFFAOYSA-N 0 0 323.352 3.665 40 5 DHBBRN CCCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000005671948 181270186 /nfs/dbraw/zinc/27/01/86/181270186.db2.gz WIVIXQFBAMQSLL-UHFFFAOYSA-N 0 0 300.314 3.636 40 5 DHBBRN Cc1cc(O)c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1C ZINC000005679199 181271356 /nfs/dbraw/zinc/27/13/56/181271356.db2.gz QOKHBQITGZBCHH-VOTSOKGWSA-N 0 0 312.325 3.569 40 5 DHBBRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccnc1Cl ZINC000006330418 181330350 /nfs/dbraw/zinc/33/03/50/181330350.db2.gz QNXGTKXUMQRYKM-UHFFFAOYSA-N 0 0 312.112 3.549 40 5 DHBBRN CC(C)Oc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000014796282 181971114 /nfs/dbraw/zinc/97/11/14/181971114.db2.gz WRXQOQHCZPQCMK-UHFFFAOYSA-N 0 0 300.314 3.634 40 5 DHBBRN O=C(NCc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000015976988 182027083 /nfs/dbraw/zinc/02/70/83/182027083.db2.gz BKINDBZXOINHCT-UHFFFAOYSA-N 0 0 324.258 3.544 40 5 DHBBRN O=c1[nH]c2cc(Cl)c([N+](=O)[O-])cc2c2ccc(Cl)cc12 ZINC000016921938 182064253 /nfs/dbraw/zinc/06/42/53/182064253.db2.gz JPIKJYGHAZRWBF-UHFFFAOYSA-N 0 0 309.108 3.896 40 5 DHBBRN Cc1ccccc1[C@@H]1Oc2nc3cc([N+](=O)[O-])ccc3nc2C1O ZINC000104074021 193979217 /nfs/dbraw/zinc/97/92/17/193979217.db2.gz GEBOWNGGILIZGC-INIZCTEOSA-N 0 0 323.308 3.900 40 5 DHBBRN CCC(=O)Nc1cc(N2CCCCC2)c([N+](=O)[O-])cc1Cl ZINC000045891860 183535241 /nfs/dbraw/zinc/53/52/41/183535241.db2.gz UJQLVPINEPUBBO-UHFFFAOYSA-N 0 0 311.769 3.587 40 5 DHBBRN O=[N+]([O-])/C=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000409063390 257223676 /nfs/dbraw/zinc/22/36/76/257223676.db2.gz BCIUCIIDMIOQQX-MDZDMXLPSA-N 0 0 323.308 3.845 40 5 DHBBRN CCN(CC)C(=O)c1ccc2[nH]c3nc4ccccc4nc3c2c1 ZINC000408977739 257224676 /nfs/dbraw/zinc/22/46/76/257224676.db2.gz XVRKVWWMHIZTAU-UHFFFAOYSA-N 0 0 318.380 3.746 40 5 DHBBRN CCOP(=O)(OCC)Oc1ccc([N+](=O)[O-])c(CC)c1 ZINC000001719936 563866081 /nfs/dbraw/zinc/86/60/81/563866081.db2.gz IMPRGJFTSVZFMH-UHFFFAOYSA-N 0 0 303.251 3.717 40 5 DHBBRN C[C@H]1Cc2ccccc2N1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000013596353 563466818 /nfs/dbraw/zinc/46/68/18/563466818.db2.gz NQNMUDKUAAYRTP-YKWSONSWSA-N 0 0 308.337 3.586 40 5 DHBBRN O=C(Nc1c(F)cccc1F)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000564558 563670936 /nfs/dbraw/zinc/67/09/36/563670936.db2.gz GJIMMYGBYCWEPH-UHFFFAOYSA-N 0 0 312.659 3.779 40 5 DHBBRN O=C(Nc1c(F)cccc1F)c1ccc([N+](=O)[O-])cc1Cl ZINC000015011222 563673654 /nfs/dbraw/zinc/67/36/54/563673654.db2.gz UBIUYQWFEJBNJF-UHFFFAOYSA-N 0 0 312.659 3.779 40 5 DHBBRN O=[N+]([O-])c1cc(Cl)cc(Br)c1N1CCCC1 ZINC000045886166 563689475 /nfs/dbraw/zinc/68/94/75/563689475.db2.gz BZYVEHQGEMUNJQ-UHFFFAOYSA-N 0 0 305.559 3.611 40 5 DHBBRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCC2 ZINC000223148511 563811699 /nfs/dbraw/zinc/81/16/99/563811699.db2.gz OQJBGJMHIVQQHK-GFCCVEGCSA-N 0 0 310.353 3.575 40 5 DHBBRN O=[N+]([O-])c1c(Oc2ccccc2)ncnc1Oc1ccccc1 ZINC000001654203 563864312 /nfs/dbraw/zinc/86/43/12/563864312.db2.gz AXECOLKAFVUTNA-UHFFFAOYSA-N 0 0 309.281 3.969 40 5 DHBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)NCC1CCCCC1 ZINC000192541544 563887893 /nfs/dbraw/zinc/88/78/93/563887893.db2.gz SUSXJVQEKQYIHL-UHFFFAOYSA-N 0 0 322.430 3.525 40 5 DHBBRN O=[N+]([O-])c1ccc(C(=S)NCc2ccccc2Cl)cc1 ZINC000009188172 563927656 /nfs/dbraw/zinc/92/76/56/563927656.db2.gz DJVYRFPCQWLQKT-UHFFFAOYSA-N 0 0 306.774 3.714 40 5 DHBBRN CCOc1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000009229400 563927660 /nfs/dbraw/zinc/92/76/60/563927660.db2.gz VGLJURSOVUOQFU-DHZHZOJOSA-N 0 0 312.325 3.645 40 5 DHBBRN CCOc1cccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000010294052 563927935 /nfs/dbraw/zinc/92/79/35/563927935.db2.gz NXEXWBATQDSXJL-UHFFFAOYSA-N 0 0 300.314 3.554 40 5 DHBBRN CC(C)c1nc(Cl)cc(NCc2cccc([N+](=O)[O-])c2)n1 ZINC000229301669 563945155 /nfs/dbraw/zinc/94/51/55/563945155.db2.gz GMCGNIBITNPRDR-UHFFFAOYSA-N 0 0 306.753 3.774 40 5 DHBBRN O=[N+]([O-])c1ccc2nc(NCCOc3ccccc3)sc2c1 ZINC000059461237 563945721 /nfs/dbraw/zinc/94/57/21/563945721.db2.gz WOBCIWFVKKJHDS-UHFFFAOYSA-N 0 0 315.354 3.695 40 5 DHBBRN Cc1c(Nc2cc(Cl)nc(C(C)(C)C)n2)cccc1[N+](=O)[O-] ZINC000328973135 563959740 /nfs/dbraw/zinc/95/97/40/563959740.db2.gz DZCIRNNVOLHGTL-UHFFFAOYSA-N 0 0 320.780 4.388 40 5 DHBBRN O=[N+]([O-])c1cccc(COc2ccc3ccccc3c2CO)c1 ZINC000034772908 568417150 /nfs/dbraw/zinc/41/71/50/568417150.db2.gz IZMJZUQUOLCEJY-UHFFFAOYSA-N 0 0 309.321 3.819 40 5 DHBBRN O=C(OCCC1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000001598734 568418217 /nfs/dbraw/zinc/41/82/17/568418217.db2.gz RGPOPGLXOOREHJ-UHFFFAOYSA-N 0 0 322.317 3.630 40 5 DHBBRN COc1ccc([N+](=O)[O-])cc1NC(=S)Nc1ccc(F)cc1 ZINC000000493353 1024505032 /nfs/dbraw/zinc/50/50/32/1024505032.db2.gz TUBOGUSCKAVDJL-UHFFFAOYSA-N 0 0 321.333 3.551 40 5 DHBBRN Cc1ccc(C(=O)Nc2ccc3ncccc3c2)cc1[N+](=O)[O-] ZINC000000326440 180759775 /nfs/dbraw/zinc/75/97/75/180759775.db2.gz DSOPLQHQXMORPK-UHFFFAOYSA-N 0 0 307.309 3.704 40 5 DHBBRN COc1cc2c(c3c1c(=O)c1ccccc1n3C)C=CC(C)(C)O2 ZINC000004098812 181072356 /nfs/dbraw/zinc/07/23/56/181072356.db2.gz SMPZPKRDRQOOHT-UHFFFAOYSA-N 0 0 321.376 3.885 40 5 biogenic,in-man DHBBRN CCOC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccccc3)oc21 ZINC000073641988 191335101 /nfs/dbraw/zinc/33/51/01/191335101.db2.gz RLEBKLAFMIVFSP-UHFFFAOYSA-N 0 0 312.281 3.580 40 5 DHBBRN COc1ccc(NC(=O)Nc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000005249018 181220954 /nfs/dbraw/zinc/22/09/54/181220954.db2.gz MPVKGSHTKRLANX-UHFFFAOYSA-N 0 0 321.720 3.901 40 5 DHBBRN CCCCN(CCCC)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000005419411 181241311 /nfs/dbraw/zinc/24/13/11/181241311.db2.gz NMERFMFKJXMCOR-UHFFFAOYSA-N 0 0 308.378 3.646 40 5 DHBBRN Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C(C)C)cc1O ZINC000005697624 181273419 /nfs/dbraw/zinc/27/34/19/181273419.db2.gz APDPUZFQSZGHFL-UHFFFAOYSA-N 0 0 314.341 3.985 40 5 DHBBRN Cc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000015388875 181999974 /nfs/dbraw/zinc/99/99/74/181999974.db2.gz IUJDRNDXXSOIIJ-NSHDSACASA-N 0 0 302.305 3.533 40 5 DHBBRN COc1ccccc1CSc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000016228442 182038147 /nfs/dbraw/zinc/03/81/47/182038147.db2.gz UTJWELXEHADVEN-UHFFFAOYSA-N 0 0 315.354 3.772 40 5 DHBBRN Cc1cccc(CNc2ncc(Br)cc2[N+](=O)[O-])c1 ZINC000039956697 183024334 /nfs/dbraw/zinc/02/43/34/183024334.db2.gz IMXVUUFOIFKQCV-UHFFFAOYSA-N 0 0 322.162 3.673 40 5 DHBBRN CC(C)(C)CC(C)(C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000057682125 184045972 /nfs/dbraw/zinc/04/59/72/184045972.db2.gz IPOIBFNYOCKTPM-MDZDMXLPSA-N 0 0 304.390 3.939 40 5 DHBBRN COc1ccc(CNc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000059461233 256539542 /nfs/dbraw/zinc/53/95/42/256539542.db2.gz DARWHYYKQVYHDQ-UHFFFAOYSA-N 0 0 315.354 3.825 40 5 DHBBRN O=C(NC1CC1)c1ccc2sc3nc4ccccc4nc3c2c1 ZINC000408974922 257224817 /nfs/dbraw/zinc/22/48/17/257224817.db2.gz FVDGANBPESWWOE-UHFFFAOYSA-N 0 0 319.389 3.890 40 5 DHBBRN Nc1nc(-c2ccc(F)cc2)cc2c3ccccc3oc(=O)c12 ZINC000408721682 257227799 /nfs/dbraw/zinc/22/77/99/257227799.db2.gz XAHHIEXPQPMPPD-UHFFFAOYSA-N 0 0 306.296 3.730 40 5 DHBBRN O=[N+]([O-])c1cccc(C(=S)NCc2ccccc2Cl)c1 ZINC000408572505 257229661 /nfs/dbraw/zinc/22/96/61/257229661.db2.gz IUABAYGNRALCOT-UHFFFAOYSA-N 0 0 306.774 3.714 40 5 DHBBRN Cc1ccc(-c2cc(-c3cccc([N+](=O)[O-])c3)nc(N)n2)cc1C ZINC000071978321 184917844 /nfs/dbraw/zinc/91/78/44/184917844.db2.gz BLBXARVUAHJDJS-UHFFFAOYSA-N 0 0 320.352 3.918 40 5 DHBBRN O=[N+]([O-])c1ccc(CNCc2ccccc2)c(Br)c1 ZINC000037516268 527351637 /nfs/dbraw/zinc/35/16/37/527351637.db2.gz IVYDHBBQHYZXGE-UHFFFAOYSA-N 0 0 321.174 3.647 40 5 DHBBRN O=C(NCCCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000013670898 563384794 /nfs/dbraw/zinc/38/47/94/563384794.db2.gz ZXQOMLZHLSDCFQ-UHFFFAOYSA-N 0 0 318.760 3.611 40 5 DHBBRN O=C(NCCCc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000013672413 563467981 /nfs/dbraw/zinc/46/79/81/563467981.db2.gz MTSVMRDCXUACQZ-UHFFFAOYSA-N 0 0 318.760 3.611 40 5 DHBBRN Cc1ccccc1/C=C1/N=C(c2ccc(C)c([N+](=O)[O-])c2)OC1=O ZINC000000060090 563516253 /nfs/dbraw/zinc/51/62/53/563516253.db2.gz JOQKLYDKSCYDDR-OQLLNIDSSA-N 0 0 322.320 3.556 40 5 DHBBRN Cc1ccccc1O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000013993661 563546223 /nfs/dbraw/zinc/54/62/23/563546223.db2.gz DLCZITSFTRPSLJ-ZDUSSCGKSA-N 0 0 314.341 3.618 40 5 DHBBRN CCOc1ccccc1OC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000000118395 563570322 /nfs/dbraw/zinc/57/03/22/563570322.db2.gz WPBUVXDFSQVRHO-UHFFFAOYSA-N 0 0 321.716 3.866 40 5 DHBBRN O=C(Oc1ccccc1/C=C/[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000008379980 563615668 /nfs/dbraw/zinc/61/56/68/563615668.db2.gz PBAFCZLHFUUMPD-MDZDMXLPSA-N 0 0 303.701 3.807 40 5 DHBBRN COc1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000485268 563637119 /nfs/dbraw/zinc/63/71/19/563637119.db2.gz JSUIMSXJWDJGIY-UHFFFAOYSA-N 0 0 306.705 3.509 40 5 DHBBRN Cc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000007967778 563641176 /nfs/dbraw/zinc/64/11/76/563641176.db2.gz BKVNGGCHZNSXOB-UHFFFAOYSA-N 0 0 318.760 3.829 40 5 DHBBRN O=[N+]([O-])c1ccccc1-c1nc(-c2cccc(Cl)c2)n[nH]1 ZINC000034925933 563795548 /nfs/dbraw/zinc/79/55/48/563795548.db2.gz CNXSZIZVKRLDNI-UHFFFAOYSA-N 0 0 300.705 3.700 40 5 DHBBRN O=C(Nc1cccnc1)Nc1cc2cccnc2c2ncccc12 ZINC000006423068 563921481 /nfs/dbraw/zinc/92/14/81/563921481.db2.gz XOOGTJDGMQDWSC-UHFFFAOYSA-N 0 0 315.336 3.822 40 5 DHBBRN S=C(Nc1cc2ncccc2c2cccnc12)N1CCCCC1 ZINC000104388426 563923435 /nfs/dbraw/zinc/92/34/35/563923435.db2.gz TXBVKQCEBJCEAS-UHFFFAOYSA-N 0 0 322.437 3.966 40 5 DHBBRN COC(=O)c1cc([N+](=O)[O-])ccc1OCc1ccccc1Cl ZINC000216806327 563941407 /nfs/dbraw/zinc/94/14/07/563941407.db2.gz OIUPIYJBUYHKTJ-UHFFFAOYSA-N 0 0 321.716 3.614 40 5 DHBBRN O=[N+]([O-])c1cc(Sc2nc3ccccc3[nH]2)cc([N+](=O)[O-])c1 ZINC000003152777 563942451 /nfs/dbraw/zinc/94/24/51/563942451.db2.gz RFBNHQMMZBYWQE-UHFFFAOYSA-N 0 0 316.298 3.531 40 5 DHBBRN O=[N+]([O-])c1ccc(Nc2cc(Cl)nc(CC3CC3)n2)cc1 ZINC000329019215 231415927 /nfs/dbraw/zinc/41/59/27/231415927.db2.gz NUUGDFHEYOIAEM-UHFFFAOYSA-N 0 0 304.737 3.734 40 5 DHBBRN COc1c(C(=O)NC2CCCC2)cc(C(C)(C)C)cc1[N+](=O)[O-] ZINC000072206619 191077155 /nfs/dbraw/zinc/07/71/55/191077155.db2.gz LYYKYVBOSIIXKL-UHFFFAOYSA-N 0 0 320.389 3.573 40 5 DHBBRN Cc1cc(C)c2[nH]c(=O)c(CNc3cccc([N+](=O)[O-])c3)cc2c1 ZINC000004126346 181076749 /nfs/dbraw/zinc/07/67/49/181076749.db2.gz IWGQPDPMEZZYTC-UHFFFAOYSA-N 0 0 323.352 3.665 40 5 DHBBRN O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000004683041 181136577 /nfs/dbraw/zinc/13/65/77/181136577.db2.gz HXDNSCBLGXAOTQ-UHFFFAOYSA-N 0 0 317.943 3.557 40 5 DHBBRN COc1c2c(cc3nc4ccccc4nc31)CC[C@@H](C(C)(C)O)C2 ZINC000005715100 181275725 /nfs/dbraw/zinc/27/57/25/181275725.db2.gz HKXZZWKLKPMEMP-CYBMUJFWSA-N 0 0 322.408 3.667 40 5 DHBBRN CC(=O)Nc1cc2c(cc1Cl)[nH]c(=O)c1cc(Cl)ccc21 ZINC000008627892 181570154 /nfs/dbraw/zinc/57/01/54/181570154.db2.gz QDTMPHXUWHYQEM-UHFFFAOYSA-N 0 0 321.163 3.947 40 5 DHBBRN Cc1cnc(NCc2ccccc2Br)c([N+](=O)[O-])c1 ZINC000039956713 183024517 /nfs/dbraw/zinc/02/45/17/183024517.db2.gz DVNZBFLKXOIWNH-UHFFFAOYSA-N 0 0 322.162 3.673 40 5 DHBBRN Cc1ccc(OCc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1C ZINC000040169573 183043251 /nfs/dbraw/zinc/04/32/51/183043251.db2.gz CUOVERYIFREPJE-UHFFFAOYSA-N 0 0 324.340 3.576 40 5 DHBBRN O=[N+]([O-])c1ccc2[nH]c(-c3ccc(Br)cc3)nc2c1 ZINC000040169840 183043480 /nfs/dbraw/zinc/04/34/80/183043480.db2.gz BIQSPEHMNOAKDJ-UHFFFAOYSA-N 0 0 318.130 3.901 40 5 DHBBRN O=C(Nc1cccnc1)Nc1cc2ccncc2c2ncccc12 ZINC000408973514 257224667 /nfs/dbraw/zinc/22/46/67/257224667.db2.gz BFYBMCQUFZYVKG-UHFFFAOYSA-N 0 0 315.336 3.822 40 5 DHBBRN O=[N+]([O-])c1ccc(COc2ccc3ccccc3c2CO)cc1 ZINC000319902086 257212968 /nfs/dbraw/zinc/21/29/68/257212968.db2.gz XJSUEIXPADNLAA-UHFFFAOYSA-N 0 0 309.321 3.819 40 5 DHBBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccccc1CO ZINC000317698307 257213540 /nfs/dbraw/zinc/21/35/40/257213540.db2.gz JDCYPQQOBBDCDP-UHFFFAOYSA-N 0 0 313.231 3.898 40 5 DHBBRN Cc1ccc2c(cccc2NC(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000021595913 333389309 /nfs/dbraw/zinc/38/93/09/333389309.db2.gz SRKWTLJKXKBKMS-UHFFFAOYSA-N 0 0 307.309 3.704 40 5 DHBBRN C[C@@H]1Cc2ccccc2N1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000013596398 563466453 /nfs/dbraw/zinc/46/64/53/563466453.db2.gz IRURXIRLQLYSJM-SNVBAGLBSA-N 0 0 316.744 3.840 40 5 DHBBRN Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000100250679 563590023 /nfs/dbraw/zinc/59/00/23/563590023.db2.gz IGUZGDCCALKUAT-UHFFFAOYSA-N 0 0 319.229 3.512 40 5 DHBBRN CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cc1)n1nnc2ccccc21 ZINC000005284896 563619735 /nfs/dbraw/zinc/61/97/35/563619735.db2.gz QESGLGOLKRCSGO-INIZCTEOSA-N 0 0 311.345 3.606 40 5 DHBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1c(F)cccc1F ZINC000000562931 563670735 /nfs/dbraw/zinc/67/07/35/563670735.db2.gz XJXNXRMMPXUHJD-RMKNXTFCSA-N 0 0 304.252 3.525 40 5 DHBBRN CCN(CC)c1c(Br)cc(Cl)cc1[N+](=O)[O-] ZINC000045886130 563690632 /nfs/dbraw/zinc/69/06/32/563690632.db2.gz BIMXZPVFNZBADQ-UHFFFAOYSA-N 0 0 307.575 3.857 40 5 DHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccccc1C ZINC000001732588 563870258 /nfs/dbraw/zinc/87/02/58/563870258.db2.gz RXDVOORNJZZYJU-UHFFFAOYSA-N 0 0 301.302 3.556 40 5 DHBBRN CC1(C)C[C@]2(O[C@@H]2c2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc21 ZINC000001754474 563877618 /nfs/dbraw/zinc/87/76/18/563877618.db2.gz AGBKNQAIKTUWMO-MJGOQNOKSA-N 0 0 323.348 3.969 40 5 DHBBRN CCc1ccc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000036623470 563901483 /nfs/dbraw/zinc/90/14/83/563901483.db2.gz VGCQNJDSAYLAPM-ZDUSSCGKSA-N 0 0 312.369 3.957 40 5 DHBBRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cc1 ZINC000007304180 563905125 /nfs/dbraw/zinc/90/51/25/563905125.db2.gz IBXHCDFCRITLRF-SECBINFHSA-N 0 0 322.723 3.878 40 5 DHBBRN C[C@H](CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000007794345 563919463 /nfs/dbraw/zinc/91/94/63/563919463.db2.gz VLTRCVVNSJZVGK-PLSXKVAHSA-N 0 0 310.353 3.528 40 5 DHBBRN COc1cc(/C=C/[N+](=O)[O-])ccc1OCc1cccc(F)c1 ZINC000006735944 563921640 /nfs/dbraw/zinc/92/16/40/563921640.db2.gz CKEVUMJSKHVMSZ-BQYQJAHWSA-N 0 0 303.289 3.661 40 5 DHBBRN C[C@H]1C[C@H](C)CN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000216767393 563941507 /nfs/dbraw/zinc/94/15/07/563941507.db2.gz LDHQJXYCBQZASX-UWVGGRQHSA-N 0 0 313.195 3.840 40 5 DHBBRN CCC[C@@H](Nc1cccc([N+](=O)[O-])c1)n1nnc2ccccc21 ZINC000003032624 563941646 /nfs/dbraw/zinc/94/16/46/563941646.db2.gz YBGIZBDXNVYLOS-INIZCTEOSA-N 0 0 311.345 3.750 40 5 DHBBRN O=C(Nc1ccc(Cl)cc1)n1ncc2ccc([N+](=O)[O-])cc21 ZINC000006926417 568418898 /nfs/dbraw/zinc/41/88/98/568418898.db2.gz CNIGDFFLXOAKCQ-UHFFFAOYSA-N 0 0 316.704 3.678 40 5 DHBBRN Cc1c(Cl)cccc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000006933554 190626135 /nfs/dbraw/zinc/62/61/35/190626135.db2.gz WBROJGMXRLNOMU-UHFFFAOYSA-N 0 0 304.733 3.738 40 5 DHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=S)Nc1ccc(F)cc1 ZINC000000485172 180805448 /nfs/dbraw/zinc/80/54/48/180805448.db2.gz XTVVESCBZYLXBE-UHFFFAOYSA-N 0 0 305.334 3.851 40 5 DHBBRN O=[N+]([O-])c1ccc(Sc2ccc(Cl)cc2)c2nonc21 ZINC000001757984 180894845 /nfs/dbraw/zinc/89/48/45/180894845.db2.gz UVGSMWHOVUXXKB-UHFFFAOYSA-N 0 0 307.718 3.936 40 5 DHBBRN O=c1[nH]c2c3ccccc3cn2c2ccc(Br)cc12 ZINC000003985140 181060528 /nfs/dbraw/zinc/06/05/28/181060528.db2.gz CPTAFXKWBFQARM-UHFFFAOYSA-N 0 0 313.154 3.697 40 5 DHBBRN COc1cccc2nc3c(ccc4nc5ccccc5nc43)nc21 ZINC000076495184 191654919 /nfs/dbraw/zinc/65/49/19/191654919.db2.gz HXATWDHDCWPMHV-UHFFFAOYSA-N 0 0 312.332 3.888 40 5 DHBBRN COC1=C[C@]2(C=Cc3cc([N+](=O)[O-])ccc3O2)Nc2ccccc21 ZINC000005334985 181230899 /nfs/dbraw/zinc/23/08/99/181230899.db2.gz QUOXBUDCZPPKJC-GOSISDBHSA-N 0 0 322.320 3.810 40 5 DHBBRN Cn1nc(-c2ccccc2)c([N+](=O)[O-])c1NCc1ccccc1 ZINC000005520149 181253310 /nfs/dbraw/zinc/25/33/10/181253310.db2.gz RBORBKSEXBRXGP-UHFFFAOYSA-N 0 0 308.341 3.607 40 5 DHBBRN C[C@H](OC(=O)C1CCCCC1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000006160611 181317135 /nfs/dbraw/zinc/31/71/35/181317135.db2.gz WAPRYVAGIKWCPC-JTQLQIEISA-N 0 0 317.345 3.656 40 5 DHBBRN Cc1cc2oc(=O)cc(C)c2cc1Oc1ccc([N+](=O)[O-])cn1 ZINC000006275862 181325633 /nfs/dbraw/zinc/32/56/33/181325633.db2.gz WMUXATZWADRABA-UHFFFAOYSA-N 0 0 312.281 3.505 40 5 DHBBRN O=[N+]([O-])c1ccc(NC(=S)NCc2ccccc2)c(Cl)c1 ZINC000006282200 181325690 /nfs/dbraw/zinc/32/56/90/181325690.db2.gz DPMARZZGBFZZLK-UHFFFAOYSA-N 0 0 321.789 3.735 40 5 DHBBRN Cc1cc2ccccc2n1CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000006613995 181361339 /nfs/dbraw/zinc/36/13/39/181361339.db2.gz IHPHBQQXCKIIFW-UHFFFAOYSA-N 0 0 323.352 3.805 40 5 DHBBRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCC2 ZINC000223148559 201634370 /nfs/dbraw/zinc/63/43/70/201634370.db2.gz OQJBGJMHIVQQHK-LBPRGKRZSA-N 0 0 310.353 3.575 40 5 DHBBRN C[C@H]1Cc2ccccc2N1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000013596344 181867052 /nfs/dbraw/zinc/86/70/52/181867052.db2.gz ANLCHONWBKEKHC-LXKVQUBZSA-N 0 0 308.337 3.586 40 5 DHBBRN C[C@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000014604989 181961335 /nfs/dbraw/zinc/96/13/35/181961335.db2.gz ICOWHZWJFMXDAS-LLVKDONJSA-N 0 0 318.760 3.782 40 5 DHBBRN CC(C)c1ncc([N+](=O)[O-])n1C(=O)Nc1cccc(Cl)c1 ZINC000016576023 182049833 /nfs/dbraw/zinc/04/98/33/182049833.db2.gz AQJPGNIVCNCQRR-UHFFFAOYSA-N 0 0 308.725 3.648 40 5 DHBBRN Cc1c(C(=O)NCCc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000017297641 182081409 /nfs/dbraw/zinc/08/14/09/182081409.db2.gz SHINMFRDTZCVLK-UHFFFAOYSA-N 0 0 318.760 3.529 40 5 DHBBRN Cc1ccc(C)c([C@H](C)NC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000018013900 182089749 /nfs/dbraw/zinc/08/97/49/182089749.db2.gz WBFJKINIISULQS-AWEZNQCLSA-N 0 0 312.369 3.632 40 5 DHBBRN CCc1ccccc1O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000020112550 182188372 /nfs/dbraw/zinc/18/83/72/182188372.db2.gz SAKUKPBOQODXGJ-LBPRGKRZSA-N 0 0 314.341 3.563 40 5 DHBBRN CN(C(=O)CSCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000022527487 182324953 /nfs/dbraw/zinc/32/49/53/182324953.db2.gz USQGVKMDSINCFN-UHFFFAOYSA-N 0 0 322.430 3.619 40 5 DHBBRN CCN(CC)C(=O)c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000059843408 184141490 /nfs/dbraw/zinc/14/14/90/184141490.db2.gz SWRHXFIMMDQING-UHFFFAOYSA-N 0 0 322.748 3.990 40 5 DHBBRN Cc1sc2[nH]c(-c3ccc(C)c([N+](=O)[O-])c3)nc(=O)c2c1C ZINC000408734555 257227308 /nfs/dbraw/zinc/22/73/08/257227308.db2.gz HYSARVORYFSCRI-UHFFFAOYSA-N 0 0 315.354 3.897 40 5 DHBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1O ZINC000408605954 257229035 /nfs/dbraw/zinc/22/90/35/257229035.db2.gz HTXOLVCTGJLXMS-UHFFFAOYSA-N 0 0 308.721 3.575 40 5 DHBBRN CCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000013671086 563468260 /nfs/dbraw/zinc/46/82/60/563468260.db2.gz YHGXKZNIZVSEAZ-UHFFFAOYSA-N 0 0 300.314 3.554 40 5 DHBBRN COc1ccc(OC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000004771215 563520580 /nfs/dbraw/zinc/52/05/80/563520580.db2.gz RKMCLPABDSZFGB-UHFFFAOYSA-N 0 0 322.704 3.868 40 5 DHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(Cl)cc1 ZINC000000145363 563572680 /nfs/dbraw/zinc/57/26/80/563572680.db2.gz UISCARFPCWGZGZ-UHFFFAOYSA-N 0 0 321.720 3.901 40 5 DHBBRN O=C(NCc1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000045201128 563688528 /nfs/dbraw/zinc/68/85/28/563688528.db2.gz PZEPOIJPQNEBNN-UHFFFAOYSA-N 0 0 306.321 3.678 40 5 DHBBRN O=[N+]([O-])c1cccc(CSc2nnc(-c3ccoc3)o2)c1 ZINC000001378729 563812941 /nfs/dbraw/zinc/81/29/41/563812941.db2.gz FTGVCQHIDBENLG-UHFFFAOYSA-N 0 0 303.299 3.530 40 5 DHBBRN CC1(C)C[C@]2(O[C@H]2c2ccccc2[N+](=O)[O-])C(=O)c2ccccc21 ZINC000001754471 563877645 /nfs/dbraw/zinc/87/76/45/563877645.db2.gz BGJXGJKJBTWSKA-HKUYNNGSSA-N 0 0 323.348 3.969 40 5 DHBBRN CCc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000225990840 563886350 /nfs/dbraw/zinc/88/63/50/563886350.db2.gz AZRWYIFBUUPQCL-UHFFFAOYSA-N 0 0 310.353 3.828 40 5 DHBBRN O=C(c1cccc([N+](=O)[O-])c1)N1CCC(c2ccccc2)CC1 ZINC000006864104 563897098 /nfs/dbraw/zinc/89/70/98/563897098.db2.gz DDTFGZIZFDMBRM-UHFFFAOYSA-N 0 0 310.353 3.615 40 5 DHBBRN CCc1ccc([C@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000036623134 563901468 /nfs/dbraw/zinc/90/14/68/563901468.db2.gz MBRKCOKHAHXHPW-ZDUSSCGKSA-N 0 0 312.369 3.957 40 5 DHBBRN Cc1ccc(C(=O)Nc2cccc(OC(C)C)c2)cc1[N+](=O)[O-] ZINC000196315411 563920216 /nfs/dbraw/zinc/92/02/16/563920216.db2.gz HVZWOUZDDKNFEJ-UHFFFAOYSA-N 0 0 314.341 3.943 40 5 DHBBRN O=C(NCCCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000010542377 563927858 /nfs/dbraw/zinc/92/78/58/563927858.db2.gz SEBSMNGLPFPIRR-UHFFFAOYSA-N 0 0 318.760 3.611 40 5 DHBBRN O=[N+]([O-])c1ccc(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000068563162 563928466 /nfs/dbraw/zinc/92/84/66/563928466.db2.gz VMTGPBWVKSSJTB-DAFODLJHSA-N 0 0 315.241 3.582 40 5 DHBBRN CCOc1ccc(Cl)cc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000021126054 563932478 /nfs/dbraw/zinc/93/24/78/563932478.db2.gz HPERJBZRLAIXBQ-UHFFFAOYSA-N 0 0 320.732 3.899 40 5 DHBBRN COc1ccccc1NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000225766870 563938684 /nfs/dbraw/zinc/93/86/84/563938684.db2.gz PLIHVMMCXLPWDZ-UHFFFAOYSA-N 0 0 301.302 3.556 40 5 DHBBRN O=C(NCCC1=CCCCC1)C1(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000225990508 563939444 /nfs/dbraw/zinc/93/94/44/563939444.db2.gz ZLZFUFSCBIKSQB-UHFFFAOYSA-N 0 0 314.385 3.633 40 5 DHBBRN O=C(Nc1ccc(Cl)cc1)C1(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000225990945 563939445 /nfs/dbraw/zinc/93/94/45/563939445.db2.gz MIJCAEFBVPGEDP-UHFFFAOYSA-N 0 0 316.744 3.919 40 5 DHBBRN C[C@@H]1C[C@H](C)CN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000216767344 563941416 /nfs/dbraw/zinc/94/14/16/563941416.db2.gz LDHQJXYCBQZASX-AOOOYVTPSA-N 0 0 313.195 3.840 40 5 DHBBRN Cc1cccc(O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000008269969 563947322 /nfs/dbraw/zinc/94/73/22/563947322.db2.gz JXFXIPRZAAILST-CYBMUJFWSA-N 0 0 314.341 3.618 40 5 DHBBRN CC(C)c1nc(Cl)cc(NCc2ccccc2[N+](=O)[O-])n1 ZINC000229297736 201828230 /nfs/dbraw/zinc/82/82/30/201828230.db2.gz JJBQFQCICJDDTI-UHFFFAOYSA-N 0 0 306.753 3.774 40 5 DHBBRN CCOc1cccc(C(=O)Nc2c(C)cc([N+](=O)[O-])cc2C)c1 ZINC000072228674 191077347 /nfs/dbraw/zinc/07/73/47/191077347.db2.gz YOXQNXCWFSJIJZ-UHFFFAOYSA-N 0 0 314.341 3.863 40 5 DHBBRN COc1c(C(=O)N2CCC(C)CC2)cc(C(C)C)cc1[N+](=O)[O-] ZINC000072206640 191077663 /nfs/dbraw/zinc/07/76/63/191077663.db2.gz NUNHMORDLSSZFF-UHFFFAOYSA-N 0 0 320.389 3.599 40 5 DHBBRN O=C(c1ccc(Cl)cc1)[C@@H]1C([N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000004404097 181107548 /nfs/dbraw/zinc/10/75/48/181107548.db2.gz SJNSSSKLWCVCGM-QLFBSQMISA-N 0 0 301.729 3.582 40 5 DHBBRN C[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1Br ZINC000073639550 191335679 /nfs/dbraw/zinc/33/56/79/191335679.db2.gz CACIHDKNBUPYEB-JTQLQIEISA-N 0 0 313.195 3.732 40 5 DHBBRN COC1=C[C@@]2(C=Cc3cc([N+](=O)[O-])ccc3O2)Nc2ccccc21 ZINC000005334982 181230742 /nfs/dbraw/zinc/23/07/42/181230742.db2.gz QUOXBUDCZPPKJC-SFHVURJKSA-N 0 0 322.320 3.810 40 5 DHBBRN O=C(Nc1ccc(Cl)cc1)n1ncc2cc([N+](=O)[O-])ccc21 ZINC000005895707 181293755 /nfs/dbraw/zinc/29/37/55/181293755.db2.gz CZMILRFMMBGUSL-UHFFFAOYSA-N 0 0 316.704 3.678 40 5 DHBBRN O=C1OC(/C=C/c2ccccc2)=N/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000006060129 181309159 /nfs/dbraw/zinc/30/91/59/181309159.db2.gz KQNCMDJXLIVQBU-KDNHCMJDSA-N 0 0 320.304 3.604 40 5 DHBBRN CCSc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000006439993 181341180 /nfs/dbraw/zinc/34/11/80/181341180.db2.gz KEHGRIASDUDVGP-UHFFFAOYSA-N 0 0 302.355 3.959 40 5 DHBBRN Cc1cc2ccccc2n1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000006755366 181384135 /nfs/dbraw/zinc/38/41/35/181384135.db2.gz KARBATFTNFNVTJ-UHFFFAOYSA-N 0 0 323.352 3.805 40 5 DHBBRN Cc1ccc(O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000013989022 181916250 /nfs/dbraw/zinc/91/62/50/181916250.db2.gz QCXRDHTUYIYPNQ-CYBMUJFWSA-N 0 0 314.341 3.618 40 5 DHBBRN CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000014013223 181919544 /nfs/dbraw/zinc/91/95/44/181919544.db2.gz BZUXBNGLHAJRPI-INIZCTEOSA-N 0 0 314.341 3.699 40 5 DHBBRN C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000015389148 182000087 /nfs/dbraw/zinc/00/00/87/182000087.db2.gz AYVGMEQBNUQJJZ-KBVBDRTLSA-N 0 0 314.316 3.625 40 5 DHBBRN CC(C)c1ncc([N+](=O)[O-])n1C(=O)Nc1ccc(Cl)cc1 ZINC000016576020 182049766 /nfs/dbraw/zinc/04/97/66/182049766.db2.gz UEFJYPVTLBVUQF-UHFFFAOYSA-N 0 0 308.725 3.648 40 5 DHBBRN O=[N+]([O-])c1ccc(Br)cc1NCc1ccccc1 ZINC000039956329 183024550 /nfs/dbraw/zinc/02/45/50/183024550.db2.gz UDRFLWCJBHSUQH-UHFFFAOYSA-N 0 0 307.147 3.969 40 5 DHBBRN Cc1ccnc(NCc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000039956726 183025359 /nfs/dbraw/zinc/02/53/59/183025359.db2.gz GLGAXYXTKNPQSF-UHFFFAOYSA-N 0 0 322.162 3.673 40 5 DHBBRN Cc1ccc(OCc2nc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)cc1C ZINC000040169551 183043432 /nfs/dbraw/zinc/04/34/32/183043432.db2.gz ZJXSXZHCXAQQOC-UHFFFAOYSA-N 0 0 324.340 3.576 40 5 DHBBRN O=C(c1ccc2nc3ccccc3nc2c1)N1CCCCCC1 ZINC000096573858 256557453 /nfs/dbraw/zinc/55/74/53/256557453.db2.gz DKKSMNQSYXCSSE-UHFFFAOYSA-N 0 0 305.381 3.799 40 5 DHBBRN O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(F)cc3[C@@H]3OCC[C@@H]32)c1 ZINC000409190272 257221474 /nfs/dbraw/zinc/22/14/74/257221474.db2.gz RECTYXFOEGAXPP-XOKHGSTOSA-N 0 0 314.316 3.978 40 5 DHBBRN O=C(Nc1cccnc1)Nc1cc2cccnc2c2cccnc12 ZINC000408978048 257224960 /nfs/dbraw/zinc/22/49/60/257224960.db2.gz XWXOJLSILDELDZ-UHFFFAOYSA-N 0 0 315.336 3.822 40 5 DHBBRN Cc1ccc2[nH]c(SC(=O)c3cccc([N+](=O)[O-])c3)nc2c1 ZINC000408622231 257228417 /nfs/dbraw/zinc/22/84/17/257228417.db2.gz OTBZJKLQCMKFCQ-UHFFFAOYSA-N 0 0 313.338 3.712 40 5 DHBBRN CC[C@@H](Oc1ccccc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000078700606 331674949 /nfs/dbraw/zinc/67/49/49/331674949.db2.gz XDLMZERRJDSALO-CQSZACIVSA-N 0 0 318.304 3.530 40 5 DHBBRN O=[N+]([O-])c1cccc(CNc2cc(Cl)nc(C3CC3)n2)c1 ZINC000217992553 340491279 /nfs/dbraw/zinc/49/12/79/340491279.db2.gz IZAIESSQIGLRMT-UHFFFAOYSA-N 0 0 304.737 3.528 40 5 DHBBRN O=c1oc2ccc3ccccc3c2cc1-n1nnc2ccccc21 ZINC000001611268 563287545 /nfs/dbraw/zinc/28/75/45/563287545.db2.gz SHGKVCVDVILJPO-UHFFFAOYSA-N 0 0 313.316 3.680 40 5 DHBBRN CCOc1ccc(Nc2ccc(C(C)=O)cc2[N+](=O)[O-])cc1 ZINC000008056106 563343876 /nfs/dbraw/zinc/34/38/76/563343876.db2.gz ZERIPNDMJKMXPX-UHFFFAOYSA-N 0 0 300.314 3.940 40 5 DHBBRN Cc1ccc(CCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000013674270 563468410 /nfs/dbraw/zinc/46/84/10/563468410.db2.gz WENYUISPXAVNBU-VAWYXSNFSA-N 0 0 324.380 3.665 40 5 DHBBRN Cc1ccccc1O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000013993664 563546266 /nfs/dbraw/zinc/54/62/66/563546266.db2.gz DLCZITSFTRPSLJ-CYBMUJFWSA-N 0 0 314.341 3.618 40 5 DHBBRN O=C(Nc1cc2cccnc2c2ncccc12)N1CCCCC1 ZINC000006423057 563592778 /nfs/dbraw/zinc/59/27/78/563592778.db2.gz LKPBPQQKSZTKNO-UHFFFAOYSA-N 0 0 306.369 3.801 40 5 DHBBRN O=C(NCc1ccccc1)c1ccc2nc3ccccc3nc2c1 ZINC000096567863 563774613 /nfs/dbraw/zinc/77/46/13/563774613.db2.gz YAKDDXNTLCZWKK-UHFFFAOYSA-N 0 0 313.360 3.713 40 5 DHBBRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCC2 ZINC000223148432 563811738 /nfs/dbraw/zinc/81/17/38/563811738.db2.gz DIAMMNRMTIUKBX-LBPRGKRZSA-N 0 0 310.353 3.575 40 5 DHBBRN O=[N+]([O-])c1cccc(NSNc2cccc([N+](=O)[O-])c2)c1 ZINC000001583418 563863225 /nfs/dbraw/zinc/86/32/25/563863225.db2.gz OQHRKHXIIPAGSE-UHFFFAOYSA-N 0 0 306.303 3.590 40 5 DHBBRN Cc1c(NC(=O)CCc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000007269531 563904917 /nfs/dbraw/zinc/90/49/17/563904917.db2.gz YNVTUZHDZYWESP-UHFFFAOYSA-N 0 0 302.305 3.614 40 5 DHBBRN C[C@@H]1[C@@H]2C[C@H](C[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)C2(C)C ZINC000002291249 563925482 /nfs/dbraw/zinc/92/54/82/563925482.db2.gz QOCBDJRLSKCDKO-DWZYQQQCSA-N 0 0 303.358 3.822 40 5 DHBBRN 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CC1(C)C[C@]2(O[C@@H]2c2ccccc2[N+](=O)[O-])C(=O)c2ccccc21 ZINC000001754468 563877779 /nfs/dbraw/zinc/87/77/79/563877779.db2.gz BGJXGJKJBTWSKA-MJGOQNOKSA-N 0 0 323.348 3.969 40 5 DHBBRN CCc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000224103265 563878244 /nfs/dbraw/zinc/87/82/44/563878244.db2.gz GXRMYHYPGOLSIO-UHFFFAOYSA-N 0 0 318.760 3.992 40 5 DHBBRN CCN(CC)C(=S)Nc1cc2cccnc2c2ncccc12 ZINC000006386815 563921537 /nfs/dbraw/zinc/92/15/37/563921537.db2.gz WMNWOGCEJWMFJR-UHFFFAOYSA-N 0 0 310.426 3.822 40 5 DHBBRN CN(C)C(=S)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 ZINC000104398496 563923305 /nfs/dbraw/zinc/92/33/05/563923305.db2.gz XARCRUUUPLBEPX-UHFFFAOYSA-N 0 0 321.409 3.523 40 5 DHBBRN C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000014006939 568414764 /nfs/dbraw/zinc/41/47/64/568414764.db2.gz KYVMYUVQTBJQGI-SNVBAGLBSA-N 0 0 320.732 3.654 40 5 DHBBRN CC(C)NC(=O)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 ZINC000038311629 1019350714 /nfs/dbraw/zinc/35/07/14/1019350714.db2.gz YDILGOIHCVHZMK-UHFFFAOYSA-N 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ZINC000408723721 257227788 /nfs/dbraw/zinc/22/77/88/257227788.db2.gz DSCQBMFIYLEKGS-UHFFFAOYSA-N 0 0 316.382 3.775 40 5 DHBBRN Cc1ccc2[nH]c(SC(=O)c3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000408624736 257228587 /nfs/dbraw/zinc/22/85/87/257228587.db2.gz VYKHNVXNZXVZPK-UHFFFAOYSA-N 0 0 313.338 3.712 40 5 DHBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1O ZINC000408613616 257229201 /nfs/dbraw/zinc/22/92/01/257229201.db2.gz YUNSBEJQIKUFQD-UHFFFAOYSA-N 0 0 322.748 3.965 40 5 DHBBRN CC(C)Oc1cccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000408562607 257229767 /nfs/dbraw/zinc/22/97/67/257229767.db2.gz DDOPMNRDMZIYCJ-UHFFFAOYSA-N 0 0 314.341 3.563 40 5 DHBBRN CC(C)(C)OC(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000123777749 563436877 /nfs/dbraw/zinc/43/68/77/563436877.db2.gz HUENDUXQINLCRI-UHFFFAOYSA-N 0 0 317.139 3.704 40 5 DHBBRN C[C@H]1Cc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000013669356 563468424 /nfs/dbraw/zinc/46/84/24/563468424.db2.gz FQYNXKDGOSHBFS-JTQLQIEISA-N 0 0 316.744 3.840 40 5 DHBBRN Cc1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(N)n2)cc1 ZINC000071977408 563565345 /nfs/dbraw/zinc/56/53/45/563565345.db2.gz PIGFEZSKBBWRHP-UHFFFAOYSA-N 0 0 306.325 3.609 40 5 DHBBRN Cc1ccc(C(=O)Sc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000409391040 563597268 /nfs/dbraw/zinc/59/72/68/563597268.db2.gz HEKKKDGNDPAQEF-UHFFFAOYSA-N 0 0 313.338 3.712 40 5 DHBBRN COc1ccc(NC(=S)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000013785701 563663011 /nfs/dbraw/zinc/66/30/11/563663011.db2.gz HGDNNVCLWXGGLO-UHFFFAOYSA-N 0 0 317.370 3.721 40 5 DHBBRN O=C(c1c[nH]c2cc(Cl)ccc12)c1cccc([N+](=O)[O-])c1 ZINC000199721453 563920354 /nfs/dbraw/zinc/92/03/54/563920354.db2.gz KLCISRWWZXUFSF-UHFFFAOYSA-N 0 0 300.701 3.961 40 5 DHBBRN O=C(CCc1ccccc1Cl)Nc1cccc([N+](=O)[O-])c1 ZINC000010457523 563927894 /nfs/dbraw/zinc/92/78/94/563927894.db2.gz FUISTKNINKFGOO-UHFFFAOYSA-N 0 0 304.733 3.820 40 5 DHBBRN COc1cc2c(cc1[N+](=O)[O-])[nH]c(-c1ccccc1)c2[N+](=O)[O-] ZINC000068606586 563928685 /nfs/dbraw/zinc/92/86/85/563928685.db2.gz 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COc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1 ZINC000006500630 181346797 /nfs/dbraw/zinc/34/67/97/181346797.db2.gz DUCJCBLHBAPPJZ-UHFFFAOYSA-N 0 0 320.732 3.818 40 5 DHBBRN Cc1[nH]c2c3ccc4c([nH]c(C)c(C)c4=O)c3ccc2c(=O)c1C ZINC000016940439 182065288 /nfs/dbraw/zinc/06/52/88/182065288.db2.gz DKRMUYVKXNFTFW-UHFFFAOYSA-N 0 0 318.376 3.756 40 5 DHBBRN Cc1ccc([C@H](C)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000020105443 182186991 /nfs/dbraw/zinc/18/69/91/182186991.db2.gz JGINOMYHSRWZRC-GMMCIKNFSA-N 0 0 310.353 3.794 40 5 DHBBRN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000020488785 182223938 /nfs/dbraw/zinc/22/39/38/182223938.db2.gz QJJOZZBSPYJFDH-HNNXBMFYSA-N 0 0 318.304 3.530 40 5 DHBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2ccccc2)on1 ZINC000031334051 182611587 /nfs/dbraw/zinc/61/15/87/182611587.db2.gz IFQOQVJFRLNZRX-UHFFFAOYSA-N 0 0 309.281 3.502 40 5 DHBBRN Cc1ccc(C)c(OCc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000040169557 183043408 /nfs/dbraw/zinc/04/34/08/183043408.db2.gz WCURXUJMOAQUGD-UHFFFAOYSA-N 0 0 324.340 3.576 40 5 DHBBRN Cc1ccc([C@@H](C)NC(=O)Cc2ccccc2[N+](=O)[O-])cc1C ZINC000059351390 184137207 /nfs/dbraw/zinc/13/72/07/184137207.db2.gz LFKKSEGKFBUTGZ-CQSZACIVSA-N 0 0 312.369 3.632 40 5 DHBBRN Cc1cccc(OCc2nc(-c3ccccc3[N+](=O)[O-])n[nH]2)c1C ZINC000034925944 257129796 /nfs/dbraw/zinc/12/97/96/257129796.db2.gz QAQYQACEYPIFNM-UHFFFAOYSA-N 0 0 324.340 3.576 40 5 DHBBRN CNC(=O)Nc1ccc2sc3nc4ccccc4nc3c2c1 ZINC000408994937 257224550 /nfs/dbraw/zinc/22/45/50/257224550.db2.gz ICWOJZLDTNBRRG-UHFFFAOYSA-N 0 0 308.366 3.749 40 5 DHBBRN O=C(Nc1ccnc(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000016384552 333199755 /nfs/dbraw/zinc/19/97/55/333199755.db2.gz XRPPDCLPKRFXOD-UHFFFAOYSA-N 0 0 312.112 3.549 40 5 DHBBRN COc1ccc2cc(N(C(C)=O)C(C)=O)c3ccccc3c2c1 ZINC000001594866 563286800 /nfs/dbraw/zinc/28/68/00/563286800.db2.gz XETUYHYLAKJDLO-UHFFFAOYSA-N 0 0 307.349 3.901 40 5 DHBBRN Cc1c(NC(=O)c2ccccc2OC(C)C)cccc1[N+](=O)[O-] ZINC000014663980 563569688 /nfs/dbraw/zinc/56/96/88/563569688.db2.gz IAKVKOQJNNYUHM-UHFFFAOYSA-N 0 0 314.341 3.943 40 5 DHBBRN Cc1ccc([C@@H](C)NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000044880253 563684582 /nfs/dbraw/zinc/68/45/82/563684582.db2.gz CTTBTTRLUPPVOF-CQSZACIVSA-N 0 0 312.369 3.632 40 5 DHBBRN Cc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)cc1[N+](=O)[O-] ZINC000223150674 563811475 /nfs/dbraw/zinc/81/14/75/563811475.db2.gz FDEUKEULIAMVHJ-CYBMUJFWSA-N 0 0 324.380 3.883 40 5 DHBBRN Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1[N+](=O)[O-] ZINC000223150623 563811705 /nfs/dbraw/zinc/81/17/05/563811705.db2.gz FDEUKEULIAMVHJ-ZDUSSCGKSA-N 0 0 324.380 3.883 40 5 DHBBRN O=[N+]([O-])C[C@H](SCc1ccccc1)c1ccc2c(c1)OCO2 ZINC000001639209 563863612 /nfs/dbraw/zinc/86/36/12/563863612.db2.gz SEQGYDSVNJWFHM-INIZCTEOSA-N 0 0 317.366 3.667 40 5 DHBBRN CC1(C)C[C@]2(O[C@H]2c2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc21 ZINC000001754477 563877857 /nfs/dbraw/zinc/87/78/57/563877857.db2.gz AGBKNQAIKTUWMO-HKUYNNGSSA-N 0 0 323.348 3.969 40 5 DHBBRN Cc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)cc1C ZINC000225990790 563885956 /nfs/dbraw/zinc/88/59/56/563885956.db2.gz QMAJMQMXYPQTGR-UHFFFAOYSA-N 0 0 310.353 3.882 40 5 DHBBRN CCN(CC)C(=S)Nc1cc2ncccc2c2cccnc12 ZINC000033622331 563923010 /nfs/dbraw/zinc/92/30/10/563923010.db2.gz QFQHOWQILFHTCC-UHFFFAOYSA-N 0 0 310.426 3.822 40 5 DHBBRN COc1ccc(OC)c(-c2nc3cc([N+](=O)[O-])cc(C)c3o2)c1 ZINC000216867995 563941595 /nfs/dbraw/zinc/94/15/95/563941595.db2.gz QDVAILMUCLABAX-UHFFFAOYSA-N 0 0 314.297 3.729 40 5 DHBBRN Cc1c(C=O)c2ccccc2n1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000216953242 563941837 /nfs/dbraw/zinc/94/18/37/563941837.db2.gz WCHUTHWTVHOAAA-UHFFFAOYSA-N 0 0 322.320 3.553 40 5 DHBBRN CCCC[C@H](CC)CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000003069570 563941909 /nfs/dbraw/zinc/94/19/09/563941909.db2.gz IDUYBJLYICPRKR-VNDWYCCKSA-N 0 0 304.390 3.941 40 5 DHBBRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)/C=C\c1ccccc1 ZINC000031717134 563944765 /nfs/dbraw/zinc/94/47/65/563944765.db2.gz AHZZEOPZBAALFS-HJWRWDBZSA-N 0 0 323.757 3.693 40 5 DHBBRN CC(C)c1nc(Cl)cc(NCc2ccc([N+](=O)[O-])cc2)n1 ZINC000229252141 568417499 /nfs/dbraw/zinc/41/74/99/568417499.db2.gz DYAAQFVPQYJGTR-UHFFFAOYSA-N 0 0 306.753 3.774 40 5 DHBBRN COc1c(C)cccc1C(=O)Nc1c(C)cc([N+](=O)[O-])cc1C ZINC000072228754 191077009 /nfs/dbraw/zinc/07/70/09/191077009.db2.gz HGQZRLQATYOFBW-UHFFFAOYSA-N 0 0 314.341 3.781 40 5 DHBBRN COc1c(C(=O)N2CCCCC2)cc(C(C)(C)C)cc1[N+](=O)[O-] ZINC000072206632 191077405 /nfs/dbraw/zinc/07/74/05/191077405.db2.gz PUKYYZXTDROOPS-UHFFFAOYSA-N 0 0 320.389 3.527 40 5 DHBBRN CCCC(=O)Nc1cc(N(CC)CC)c([N+](=O)[O-])cc1Cl ZINC000072229026 191077531 /nfs/dbraw/zinc/07/75/31/191077531.db2.gz MVNPPKIJBLEVMF-UHFFFAOYSA-N 0 0 313.785 3.833 40 5 DHBBRN C[C@H]1[C@H]2C[C@@H](C[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)C2(C)C ZINC000072328822 191124124 /nfs/dbraw/zinc/12/41/24/191124124.db2.gz QOCBDJRLSKCDKO-OBCWZRDOSA-N 0 0 303.358 3.822 40 5 DHBBRN CCOc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000004838631 181160210 /nfs/dbraw/zinc/16/02/10/181160210.db2.gz SFZWIKLRGYGGQD-UHFFFAOYSA-N 0 0 300.314 3.554 40 5 DHBBRN CCCCNc1sc(Br)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC000005192994 181215129 /nfs/dbraw/zinc/21/51/29/181215129.db2.gz NSTFRBONVRTIMR-UHFFFAOYSA-N 0 0 324.156 3.539 40 5 DHBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1Br ZINC000005514805 181252259 /nfs/dbraw/zinc/25/22/59/181252259.db2.gz SMAIGFKAVOUSHO-UHFFFAOYSA-N 0 0 321.130 3.610 40 5 DHBBRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2ccccc2)CC1 ZINC000006281195 181325868 /nfs/dbraw/zinc/32/58/68/181325868.db2.gz HIRZPSKEHJTFNN-UHFFFAOYSA-N 0 0 310.353 3.615 40 5 DHBBRN Cc1c(NC(=O)c2ccc(OC(C)C)cc2)cccc1[N+](=O)[O-] ZINC000008562931 181564657 /nfs/dbraw/zinc/56/46/57/181564657.db2.gz FQMLJZYRUMXKAW-UHFFFAOYSA-N 0 0 314.341 3.943 40 5 DHBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1C ZINC000013582359 181865019 /nfs/dbraw/zinc/86/50/19/181865019.db2.gz LWDBZRWHZUQXSA-UHFFFAOYSA-N 0 0 300.314 3.554 40 5 DHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccccc1F ZINC000019170152 182106643 /nfs/dbraw/zinc/10/66/43/182106643.db2.gz FOQKIPUHXYJNSN-UHFFFAOYSA-N 0 0 302.305 3.614 40 5 DHBBRN Cc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000020037206 182182170 /nfs/dbraw/zinc/18/21/70/182182170.db2.gz WVIFDBCYGVBKFY-UHFFFAOYSA-N 0 0 318.760 3.829 40 5 DHBBRN COC(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000022797945 182335372 /nfs/dbraw/zinc/33/53/72/182335372.db2.gz NTHPBFSVGLCXEP-UHFFFAOYSA-N 0 0 320.732 3.647 40 5 DHBBRN O=[N+]([O-])c1cc(C(F)(F)F)cnc1NCc1ccccc1F ZINC000039956665 183024332 /nfs/dbraw/zinc/02/43/32/183024332.db2.gz RCWDQVLFCYLTRM-UHFFFAOYSA-N 0 0 315.226 3.760 40 5 DHBBRN O=C(O[C@H]1C=C[C@H]2CC[C@@H]3CC[C@H]1[C@@H]32)c1ccc([N+](=O)[O-])cc1 ZINC000071785737 257217296 /nfs/dbraw/zinc/21/72/96/257217296.db2.gz JRZRZDAXZSLBIC-FBHBFLDISA-N 0 0 313.353 3.742 40 5 DHBBRN CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000409020965 257224207 /nfs/dbraw/zinc/22/42/07/257224207.db2.gz WHFQAPYNIOIPIC-SEEODLKFSA-N 0 0 320.370 3.738 40 5 DHBBRN S=C(Nc1cc2ccncc2c2ncccc12)N1CCCC1 ZINC000408973234 257224950 /nfs/dbraw/zinc/22/49/50/257224950.db2.gz AAWFTMQUAFVAHA-UHFFFAOYSA-N 0 0 308.410 3.576 40 5 DHBBRN CC(C)(C)NC(=S)Nc1ccc2nc3ccccc3nc2c1 ZINC000408975202 257224952 /nfs/dbraw/zinc/22/49/52/257224952.db2.gz JAOWBARCTKLTRY-UHFFFAOYSA-N 0 0 310.426 3.868 40 5 DHBBRN CC(=O)c1cc(C)cc(C)c1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000096306014 332178668 /nfs/dbraw/zinc/17/86/68/332178668.db2.gz SBMHRCDRXVUKFJ-UHFFFAOYSA-N 0 0 313.309 3.633 40 5 DHBBRN COc1ccc(Cn2cnc3cc(C)c(C)cc32)cc1[N+](=O)[O-] ZINC000047370084 332300869 /nfs/dbraw/zinc/30/08/69/332300869.db2.gz QVRYAKURAINYFS-UHFFFAOYSA-N 0 0 311.341 3.618 40 5 DHBBRN Cc1ccc(O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1C ZINC000008040823 563499832 /nfs/dbraw/zinc/49/98/32/563499832.db2.gz RPLAHNIBEXFXPI-ZDUSSCGKSA-N 0 0 314.341 3.618 40 5 DHBBRN Cc1ccccc1Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100170582 563569309 /nfs/dbraw/zinc/56/93/09/563569309.db2.gz LQFAQCBTYURLSV-UHFFFAOYSA-N 0 0 319.229 3.512 40 5 DHBBRN O=[N+]([O-])c1cc(Cl)cc2c1N[P@](=O)(c1ccccc1)N2 ZINC000104060400 563671888 /nfs/dbraw/zinc/67/18/88/563671888.db2.gz SUQSZTNNWRCTRY-FQEVSTJZSA-N 0 0 309.649 3.604 40 5 DHBBRN Cc1ccc([C@H]2Oc3nc4cc([N+](=O)[O-])ccc4nc3C2O)cc1 ZINC000104240035 563672817 /nfs/dbraw/zinc/67/28/17/563672817.db2.gz VUEYPPUZTMIRBA-MRXNPFEDSA-N 0 0 323.308 3.900 40 5 DHBBRN CCN(CC)c1c(Cl)cc(Br)cc1[N+](=O)[O-] ZINC000045958926 563691114 /nfs/dbraw/zinc/69/11/14/563691114.db2.gz ZNVXENLLTGATCN-UHFFFAOYSA-N 0 0 307.575 3.857 40 5 DHBBRN O=[N+]([O-])c1ccc(Br)c(OCc2ccccc2)c1 ZINC000001676263 563864299 /nfs/dbraw/zinc/86/42/99/563864299.db2.gz QSHXUXBAVCVDPB-UHFFFAOYSA-N 0 0 308.131 3.936 40 5 DHBBRN C[C@@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000225990560 563882617 /nfs/dbraw/zinc/88/26/17/563882617.db2.gz BENNUKSFVBFAEA-CYBMUJFWSA-N 0 0 310.353 3.504 40 5 DHBBRN CC(C)(C)NC(=S)Nc1cc2cccnc2c2cccnc12 ZINC000006563360 563921408 /nfs/dbraw/zinc/92/14/08/563921408.db2.gz UJJHGQQYJXDVFL-UHFFFAOYSA-N 0 0 310.426 3.868 40 5 DHBBRN Cc1ccc2c(cccc2NC(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000021595502 563936172 /nfs/dbraw/zinc/93/61/72/563936172.db2.gz KMPCWGAHHXEEJK-UHFFFAOYSA-N 0 0 307.309 3.704 40 5 DHBBRN Cc1cc([N+](=O)[O-])cc2nc(-c3ccc(N)cc3Cl)oc21 ZINC000216925393 563941614 /nfs/dbraw/zinc/94/16/14/563941614.db2.gz FHMIWYDKIAPHIG-UHFFFAOYSA-N 0 0 303.705 3.947 40 5 DHBBRN CCOc1ccc(-c2cc3ccccc3oc2=O)c([N+](=O)[O-])c1 ZINC000216937413 563941816 /nfs/dbraw/zinc/94/18/16/563941816.db2.gz SWCUYKGKSHVVDH-UHFFFAOYSA-N 0 0 311.293 3.767 40 5 DHBBRN Cc1ccc(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000008079294 563946411 /nfs/dbraw/zinc/94/64/11/563946411.db2.gz VULRIRVLFWZZFU-UHFFFAOYSA-N 0 0 320.345 3.773 40 5 DHBBRN O=C(Nc1ccc2[nH]c3nc4ccccc4nc3c2c1)NC1CC1 ZINC000038311099 1019351472 /nfs/dbraw/zinc/35/14/72/1019351472.db2.gz CEHOCFWLZICKBU-UHFFFAOYSA-N 0 0 317.352 3.548 40 5 DHBBRN Cc1cccc(OCC(=O)Nc2c(C)cc([N+](=O)[O-])cc2C)c1 ZINC000072228778 191077630 /nfs/dbraw/zinc/07/76/30/191077630.db2.gz LJSXKJBDZILOFP-UHFFFAOYSA-N 0 0 314.341 3.538 40 5 DHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)c(C)cc1C ZINC000225643128 186286045 /nfs/dbraw/zinc/28/60/45/186286045.db2.gz DIZBRKGLKLEHKU-UHFFFAOYSA-N 0 0 314.341 3.781 40 5 DHBBRN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc2ccccc21 ZINC000003196866 180990879 /nfs/dbraw/zinc/99/08/79/180990879.db2.gz ZLYXWYHYAUUAKR-UHFFFAOYSA-N 0 0 306.321 3.929 40 5 DHBBRN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003515907 181029325 /nfs/dbraw/zinc/02/93/25/181029325.db2.gz HDMXXEIIHPZSDQ-JTQLQIEISA-N 0 0 320.732 3.654 40 5 DHBBRN O=C(N(c1ccccc1)c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000004852292 181163229 /nfs/dbraw/zinc/16/32/29/181163229.db2.gz WJGWPJLWOQKGPV-UHFFFAOYSA-N 0 0 310.231 3.822 40 5 DHBBRN O=[N+]([O-])c1ccc2nc(-c3cncc(Br)c3)oc2c1 ZINC000073640094 191335446 /nfs/dbraw/zinc/33/54/46/191335446.db2.gz NGRLCZZWDNLPRR-UHFFFAOYSA-N 0 0 320.102 3.561 40 5 DHBBRN CCOC(=O)c1ccc(-c2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000073642068 191335694 /nfs/dbraw/zinc/33/56/94/191335694.db2.gz KXQDITOSDWTUST-UHFFFAOYSA-N 0 0 312.281 3.580 40 5 DHBBRN O=[N+]([O-])c1ccc(-c2nc3cc([N+](=O)[O-])cc(Cl)c3o2)cc1 ZINC000005005595 181189119 /nfs/dbraw/zinc/18/91/19/181189119.db2.gz CVBNCKNNMGNSRC-UHFFFAOYSA-N 0 0 319.660 3.965 40 5 DHBBRN CC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000005383514 181237393 /nfs/dbraw/zinc/23/73/93/181237393.db2.gz XMPSAZDFGFKCTB-UHFFFAOYSA-N 0 0 318.716 3.703 40 5 DHBBRN CC1=NN2C(c3ccc([N+](=O)[O-])cc3)=CSC2=NC(C)(C)C1 ZINC000005757818 181281428 /nfs/dbraw/zinc/28/14/28/181281428.db2.gz SVSNVCRCOAMSLN-UHFFFAOYSA-N 0 0 316.386 3.856 40 5 DHBBRN Cc1c(C)[n+]([O-])c(-c2c3ccccc3cc3ccccc32)n1O ZINC000006796029 181390528 /nfs/dbraw/zinc/39/05/28/181390528.db2.gz ACTZYFRZKGLBJA-UHFFFAOYSA-N 0 0 304.349 3.949 40 5 DHBBRN O=C(NCCCc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000013646171 181873360 /nfs/dbraw/zinc/87/33/60/181873360.db2.gz DWPFADUELSFCHV-UHFFFAOYSA-N 0 0 318.760 3.611 40 5 DHBBRN Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000013710571 181882086 /nfs/dbraw/zinc/88/20/86/181882086.db2.gz MVSPWVAZUTWLFE-ZDUSSCGKSA-N 0 0 314.341 3.618 40 5 DHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)cc1F ZINC000015577281 182007829 /nfs/dbraw/zinc/00/78/29/182007829.db2.gz MPWIBLVMDYYYKM-UHFFFAOYSA-N 0 0 308.696 3.948 40 5 DHBBRN Cc1ccccc1CNc1ncc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000039956690 183024393 /nfs/dbraw/zinc/02/43/93/183024393.db2.gz XRMIWAQIFMHUEU-UHFFFAOYSA-N 0 0 311.263 3.929 40 5 DHBBRN O=[N+]([O-])c1cc(C(F)(F)F)cnc1NCCc1ccccc1 ZINC000039956565 183024475 /nfs/dbraw/zinc/02/44/75/183024475.db2.gz UFNFAWDLZJZDPN-UHFFFAOYSA-N 0 0 311.263 3.663 40 5 DHBBRN CC(C)CCn1nc(Br)c2cc([N+](=O)[O-])ccc21 ZINC000072220013 257124360 /nfs/dbraw/zinc/12/43/60/257124360.db2.gz CRTUAMFWGCIENW-UHFFFAOYSA-N 0 0 312.167 3.753 40 5 DHBBRN O=C(CSCc1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1 ZINC000340185310 131024175 /nfs/dbraw/zinc/02/41/75/131024175.db2.gz AJRHGEGXCQMXQQ-UHFFFAOYSA-N 0 0 320.345 3.606 40 5 DHBBRN Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C=CC(C)(C)O3 ZINC000005447705 563329981 /nfs/dbraw/zinc/32/99/81/563329981.db2.gz CBXBWBNEFPNSDO-UHFFFAOYSA-N 0 0 307.349 3.582 40 5 biogenic,in-vitro DHBBRN O=C(OCc1cccc(F)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000005851328 563637814 /nfs/dbraw/zinc/63/78/14/563637814.db2.gz NQGNVVIZLJURBB-UHFFFAOYSA-N 0 0 309.680 3.744 40 5 DHBBRN CC(=O)Nc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Cl ZINC000045891672 563690528 /nfs/dbraw/zinc/69/05/28/563690528.db2.gz PHUCGGOKVOWCAV-UHFFFAOYSA-N 0 0 311.769 3.951 40 5 DHBBRN Cc1c(C(=O)NCc2cccc3ccccc32)cccc1[N+](=O)[O-] ZINC000222825370 563789108 /nfs/dbraw/zinc/78/91/08/563789108.db2.gz MXJNLGYJOIJVLP-UHFFFAOYSA-N 0 0 320.348 3.986 40 5 DHBBRN O=C(C[C@@H](C[N+](=O)[O-])c1ccccc1)c1ccc(Cl)cc1 ZINC000001665252 563864239 /nfs/dbraw/zinc/86/42/39/563864239.db2.gz LQZRGJIUGWYGJI-AWEZNQCLSA-N 0 0 303.745 3.973 40 5 DHBBRN Cc1cccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000225990731 563886276 /nfs/dbraw/zinc/88/62/76/563886276.db2.gz HOGOHYRESUSGTJ-UHFFFAOYSA-N 0 0 310.353 3.882 40 5 DHBBRN O=C(CCc1ccccc1F)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000225019512 563920828 /nfs/dbraw/zinc/92/08/28/563920828.db2.gz ARQOFNGAVWIDGG-UHFFFAOYSA-N 0 0 322.723 3.959 40 5 DHBBRN CC(C)(C)NC(=S)Nc1cc2cccnc2c2ncccc12 ZINC000033711711 563923087 /nfs/dbraw/zinc/92/30/87/563923087.db2.gz ZFOXKUATODHELC-UHFFFAOYSA-N 0 0 310.426 3.868 40 5 DHBBRN Cc1ccc(-c2cc3c4ccccc4oc(=O)c3c(=O)[nH]2)cc1 ZINC000104362861 563923395 /nfs/dbraw/zinc/92/33/95/563923395.db2.gz IOESNVZYNXYCEO-UHFFFAOYSA-N 0 0 303.317 3.610 40 5 DHBBRN O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1[N+](=O)[O-] ZINC000008951572 563927568 /nfs/dbraw/zinc/92/75/68/563927568.db2.gz XLJMQSLOEBFAKA-UHFFFAOYSA-N 0 0 300.701 3.757 40 5 DHBBRN O=[N+]([O-])c1ccc(Cl)cc1NC1[C@@H]2CC3C[C@H]1CC(O)(C3)C2 ZINC000012406589 563928676 /nfs/dbraw/zinc/92/86/76/563928676.db2.gz MQCGZNNKHUNRQD-VDOWLHTASA-N 0 0 322.792 3.600 40 5 DHBBRN O=C(NC1CCCCCCC1)C1(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000225991849 563939420 /nfs/dbraw/zinc/93/94/20/563939420.db2.gz BHIZUENHJBNXQS-UHFFFAOYSA-N 0 0 316.401 3.856 40 5 DHBBRN Cc1ccccc1CSCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003380478 563943750 /nfs/dbraw/zinc/94/37/50/563943750.db2.gz VBQCFSPEAPBHFQ-UHFFFAOYSA-N 0 0 316.382 3.775 40 5 DHBBRN COc1ccc(C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000003567211 181035881 /nfs/dbraw/zinc/03/58/81/181035881.db2.gz XECXFRCHHONOEG-UHFFFAOYSA-N 0 0 320.732 3.818 40 5 DHBBRN COc1ccccc1/C=C/C(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000004071317 181069786 /nfs/dbraw/zinc/06/97/86/181069786.db2.gz LBTYUZHWEFNNFU-CSKARUKUSA-N 0 0 312.325 3.564 40 5 DHBBRN CCOC(=O)c1cccc(-c2nc3ccc([N+](=O)[O-])cc3o2)c1 ZINC000073642014 191335390 /nfs/dbraw/zinc/33/53/90/191335390.db2.gz XEXZNANFYJEEDF-UHFFFAOYSA-N 0 0 312.281 3.580 40 5 DHBBRN CC1CCN(Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000073639552 191335815 /nfs/dbraw/zinc/33/58/15/191335815.db2.gz BSSZJBSWDNKVJQ-UHFFFAOYSA-N 0 0 313.195 3.589 40 5 DHBBRN CSc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000005443587 181244284 /nfs/dbraw/zinc/24/42/84/181244284.db2.gz IZIZJKUOULPLER-UHFFFAOYSA-N 0 0 302.355 3.877 40 5 DHBBRN COc1ccc(Cl)cc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000005527215 181253670 /nfs/dbraw/zinc/25/36/70/181253670.db2.gz BEQBFECHHLVDMI-UHFFFAOYSA-N 0 0 306.705 3.509 40 5 DHBBRN C[C@@H]1CC(c2ccc([N+](=O)[O-])cc2)=Nc2ccccc2[S@@]1=O ZINC000005809422 181285536 /nfs/dbraw/zinc/28/55/36/181285536.db2.gz VVYQJGCLKUHIJA-XFNZEKPQSA-N 0 0 314.366 3.615 40 5 DHBBRN CC(=O)Nc1c(Br)cc([N+](=O)[O-])cc1C(C)(C)C ZINC000091707620 193094640 /nfs/dbraw/zinc/09/46/40/193094640.db2.gz UQVYPKODUNDXMG-UHFFFAOYSA-N 0 0 315.167 3.613 40 5 DHBBRN CCOc1cccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000010295374 181663956 /nfs/dbraw/zinc/66/39/56/181663956.db2.gz NSQCGEBGAFCLDS-MDZDMXLPSA-N 0 0 312.325 3.645 40 5 DHBBRN Cc1ccc(N[C@H](O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000027643545 182484964 /nfs/dbraw/zinc/48/49/64/182484964.db2.gz KRCDIOZUONWEJY-QGZVFWFLSA-N 0 0 314.385 3.920 40 5 DHBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)COc1ccccc1 ZINC000009141739 257218185 /nfs/dbraw/zinc/21/81/85/257218185.db2.gz IZDFSTAITJGXBS-UHFFFAOYSA-N 0 0 320.732 3.574 40 5 DHBBRN Cc1ccccc1NC(=O)CSCc1cccc([N+](=O)[O-])c1 ZINC000408723814 257227959 /nfs/dbraw/zinc/22/79/59/257227959.db2.gz QTSNJNCGPDTWMP-UHFFFAOYSA-N 0 0 316.382 3.775 40 5 DHBBRN Cc1c(C(=O)Nc2ccc(OC(C)C)cc2)cccc1[N+](=O)[O-] ZINC000042645491 332247365 /nfs/dbraw/zinc/24/73/65/332247365.db2.gz DPNUUHMROLNMLE-UHFFFAOYSA-N 0 0 314.341 3.943 40 5 DHBBRN O=[N+]([O-])c1ccccc1OCc1cccc(Br)c1 ZINC000042199637 336237292 /nfs/dbraw/zinc/23/72/92/336237292.db2.gz JWACXHGNYJLRII-UHFFFAOYSA-N 0 0 308.131 3.936 40 5 DHBBRN Cc1ccc2[nH]c(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)nc2c1 ZINC000007342806 563338024 /nfs/dbraw/zinc/33/80/24/563338024.db2.gz NCPXSRXFQDBZAD-UHFFFAOYSA-N 0 0 321.292 3.553 40 5 DHBBRN CSc1ccccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000000563074 563670709 /nfs/dbraw/zinc/67/07/09/563670709.db2.gz STCAWGACCBDEKQ-DHZHZOJOSA-N 0 0 314.366 3.969 40 5 DHBBRN Cc1ccc(NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1C ZINC000048513904 563699341 /nfs/dbraw/zinc/69/93/41/563699341.db2.gz ASXQVHWORSXAEH-UHFFFAOYSA-N 0 0 313.357 3.571 40 5 DHBBRN COc1ccc(/C=C\[N+](=O)[O-])c(OCc2ccccc2)c1OC ZINC000007067078 563713360 /nfs/dbraw/zinc/71/33/60/563713360.db2.gz BTIKWGIYDWCPBT-KHPPLWFESA-N 0 0 315.325 3.530 40 5 DHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccc(F)cc1 ZINC000025720523 563810904 /nfs/dbraw/zinc/81/09/04/563810904.db2.gz ZQFRKWRSVUBOGE-UHFFFAOYSA-N 0 0 302.305 3.614 40 5 DHBBRN O=C(OC12CCCCC(CCCC1)O2)c1ccc([N+](=O)[O-])cc1 ZINC000001700464 563866144 /nfs/dbraw/zinc/86/61/44/563866144.db2.gz VBVTWULSGRRSAL-UHFFFAOYSA-N 0 0 319.357 3.981 40 5 DHBBRN Cc1cc(C)cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000225990808 563886371 /nfs/dbraw/zinc/88/63/71/563886371.db2.gz MDDGDKIDTOESHQ-UHFFFAOYSA-N 0 0 310.353 3.882 40 5 DHBBRN O=C(Nc1ncc([N+](=O)[O-])s1)Nc1cccc2ccccc21 ZINC000006864969 563897089 /nfs/dbraw/zinc/89/70/89/563897089.db2.gz IKCUHMQIGVTABC-UHFFFAOYSA-N 0 0 314.326 3.849 40 5 DHBBRN COc1cccc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)oc21 ZINC000008960595 563927557 /nfs/dbraw/zinc/92/75/57/563927557.db2.gz SACHOSDKZDRAJE-UHFFFAOYSA-N 0 0 312.281 3.602 40 5 DHBBRN CC1(C)[C@H]2CC[C@H](C2)[C@@H]1COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000009087879 563927658 /nfs/dbraw/zinc/92/76/58/563927658.db2.gz TXIQBHGJBMGFNT-IPYPFGDCSA-N 0 0 303.358 3.824 40 5 DHBBRN CCN(CC)C(=S)Nc1ccc2nc3ccccc3nc2c1 ZINC000033721477 1021751737 /nfs/dbraw/zinc/75/17/37/1021751737.db2.gz ZGKXONKUAVKLCF-UHFFFAOYSA-N 0 0 310.426 3.822 40 5 DHBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(Cl)cc1 ZINC000005023462 181191883 /nfs/dbraw/zinc/19/18/83/181191883.db2.gz GOJZHJYMNLGQMP-UHFFFAOYSA-N 0 0 321.720 3.901 40 5 DHBBRN CCO[C@]1([N+](=O)[O-])c2ccccc2-c2nc3ccccc3cc21 ZINC000005105091 181203719 /nfs/dbraw/zinc/20/37/19/181203719.db2.gz QAHYFDWSFBGVQY-GOSISDBHSA-N 0 0 306.321 3.730 40 5 DHBBRN COc1cc(Sc2ccccc2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000005512890 181251747 /nfs/dbraw/zinc/25/17/47/181251747.db2.gz GHCWFRBMGDATFC-UHFFFAOYSA-N 0 0 306.299 3.663 40 5 DHBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cccnc1Cl ZINC000005670958 181270161 /nfs/dbraw/zinc/27/01/61/181270161.db2.gz ATDDFDFHYCHAHA-UHFFFAOYSA-N 0 0 312.112 3.549 40 5 DHBBRN O=C1OC(/C=C\c2ccccc2)=N/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000006060333 181309143 /nfs/dbraw/zinc/30/91/43/181309143.db2.gz KQNCMDJXLIVQBU-NTFJEWRLSA-N 0 0 320.304 3.604 40 5 DHBBRN CCCCOC(=O)c1c(Cl)nc(C)c([N+](=O)[O-])c1Cl ZINC000095094155 193422793 /nfs/dbraw/zinc/42/27/93/193422793.db2.gz LCZCTJALJJPABC-UHFFFAOYSA-N 0 0 307.133 3.562 40 5 DHBBRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCC2 ZINC000008267387 181541822 /nfs/dbraw/zinc/54/18/22/181541822.db2.gz VPKLDGUPHPNAQA-CYBMUJFWSA-N 0 0 324.380 3.965 40 5 DHBBRN Cc1c(NC(=O)CCc2ccccc2F)cccc1[N+](=O)[O-] ZINC000008304319 181545384 /nfs/dbraw/zinc/54/53/84/181545384.db2.gz NRUZBWHVZRXABD-UHFFFAOYSA-N 0 0 302.305 3.614 40 5 DHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)cc1F ZINC000015576660 182007866 /nfs/dbraw/zinc/00/78/66/182007866.db2.gz ZEYYNPPEPHLEBF-UHFFFAOYSA-N 0 0 324.695 3.648 40 5 DHBBRN COCc1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000026031603 182429117 /nfs/dbraw/zinc/42/91/17/182429117.db2.gz CBXOJTSDUKWWJO-UHFFFAOYSA-N 0 0 320.732 3.647 40 5 DHBBRN CCOC(=O)c1cnc2ccc3nc(C)ccc3c2c1Cl ZINC000218259547 257130755 /nfs/dbraw/zinc/13/07/55/257130755.db2.gz LQRPITWJHWYPNF-UHFFFAOYSA-N 0 0 300.745 3.922 40 5 DHBBRN CC(C)(C)NC(=S)Nc1cc2ccncc2c2ncccc12 ZINC000408974249 257224746 /nfs/dbraw/zinc/22/47/46/257224746.db2.gz DOPLEHQKFJBMKM-UHFFFAOYSA-N 0 0 310.426 3.868 40 5 DHBBRN O=[N+]([O-])c1ccc(CNc2cc(Cl)nc(C3CC3)n2)cc1 ZINC000217981573 340491195 /nfs/dbraw/zinc/49/11/95/340491195.db2.gz DFYZVCFJEAQBMQ-UHFFFAOYSA-N 0 0 304.737 3.528 40 5 DHBBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(CO)cc1 ZINC000388911709 563929608 /nfs/dbraw/zinc/92/96/08/563929608.db2.gz ULJWTRSQKMUXKM-UHFFFAOYSA-N 0 0 313.231 3.898 40 5 DHBBRN O=C1c2cc3ccccc3cc2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000000220980 563579359 /nfs/dbraw/zinc/57/93/59/563579359.db2.gz SDYVWMDPZLESAO-UHFFFAOYSA-N 0 0 318.288 3.549 40 5 DHBBRN COc1ccccc1/C=C/C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000000560083 563670890 /nfs/dbraw/zinc/67/08/90/563670890.db2.gz OKPRQPOSLNKCEU-ZHACJKMWSA-N 0 0 312.325 3.564 40 5 DHBBRN Nc1cc(N2CCC[C@@H](C(F)(F)F)C2)c(Cl)cc1[N+](=O)[O-] ZINC000045221428 563688565 /nfs/dbraw/zinc/68/85/65/563688565.db2.gz LLMGQICSOMDVGE-SSDOTTSWSA-N 0 0 323.702 3.609 40 5 DHBBRN CC1(C)C[C@@]2(O[C@@H]2c2ccccc2[N+](=O)[O-])C(=O)c2ccccc21 ZINC000001754467 563877522 /nfs/dbraw/zinc/87/75/22/563877522.db2.gz BGJXGJKJBTWSKA-IEBWSBKVSA-N 0 0 323.348 3.969 40 5 DHBBRN O=C1c2ccc(Br)cc2-c2ccc([N+](=O)[O-])cc21 ZINC000001580958 563891726 /nfs/dbraw/zinc/89/17/26/563891726.db2.gz IVAVRQLQEMUOFI-UHFFFAOYSA-N 0 0 304.099 3.569 40 5 DHBBRN CC(=O)Nc1c(Br)cc(C(C)(C)C)cc1[N+](=O)[O-] ZINC000036532883 563900923 /nfs/dbraw/zinc/90/09/23/563900923.db2.gz NXCVNQRTHNNHIN-UHFFFAOYSA-N 0 0 315.167 3.613 40 5 DHBBRN CCc1ccc([C@@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000036623133 563901585 /nfs/dbraw/zinc/90/15/85/563901585.db2.gz MBRKCOKHAHXHPW-CYBMUJFWSA-N 0 0 312.369 3.957 40 5 DHBBRN CCc1ccc(CC)c(CNC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000224847954 563916858 /nfs/dbraw/zinc/91/68/58/563916858.db2.gz MHXRMDUEEPEHGE-UHFFFAOYSA-N 0 0 312.369 3.650 40 5 DHBBRN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1F ZINC000225392178 201700189 /nfs/dbraw/zinc/70/01/89/201700189.db2.gz KWKKWBIRIRHLBW-UHFFFAOYSA-N 0 0 324.695 3.648 40 5 DHBBRN CC(C)(Cc1ccccc1)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000096761841 185386640 /nfs/dbraw/zinc/38/66/40/185386640.db2.gz DQSPWSKQCAATIC-JLHYYAGUSA-N 0 0 324.380 3.746 40 5 DHBBRN Cc1c(C(=O)NC(C)(C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000096761882 185386756 /nfs/dbraw/zinc/38/67/56/185386756.db2.gz YREIUMXHOCHDCH-UHFFFAOYSA-N 0 0 312.369 3.654 40 5 DHBBRN CN(C)c1cc(NC(=O)c2ccccc2)c(Cl)cc1[N+](=O)[O-] ZINC000072229114 191077598 /nfs/dbraw/zinc/07/75/98/191077598.db2.gz NFLYREAYQKDDLZ-UHFFFAOYSA-N 0 0 319.748 3.567 40 5 DHBBRN CC(C)OP(=O)(Oc1ccc([N+](=O)[O-])cc1)OC(C)C ZINC000001719904 180891615 /nfs/dbraw/zinc/89/16/15/180891615.db2.gz SHMLKFTUAKLHHF-UHFFFAOYSA-N 0 0 303.251 3.932 40 5 DHBBRN CCOC(=O)/C=C/c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 ZINC000004294144 181093652 /nfs/dbraw/zinc/09/36/52/181093652.db2.gz AIZKBRBSMFLJHN-RMKNXTFCSA-N 0 0 301.298 3.740 40 5 DHBBRN O=[N+]([O-])c1ccc(-c2cc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])c1 ZINC000004354483 181101598 /nfs/dbraw/zinc/10/15/98/181101598.db2.gz ISIQHAGXQIEARV-UHFFFAOYSA-N 0 0 310.269 3.560 40 5 DHBBRN CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000005465442 181246899 /nfs/dbraw/zinc/24/68/99/181246899.db2.gz WRCCCIWOUFNCHD-UHFFFAOYSA-N 0 0 320.732 3.899 40 5 DHBBRN Nc1cc2c(cc1[N+](=O)[O-])[nH]c1c2ccnc1-c1ccccc1 ZINC000005615726 181264220 /nfs/dbraw/zinc/26/42/20/181264220.db2.gz DSFXMBPEZWDCGA-UHFFFAOYSA-N 0 0 304.309 3.874 40 5 DHBBRN C[C@H]1CC(c2ccc([N+](=O)[O-])cc2)=Nc2ccccc2[S@]1=O ZINC000005809426 181285703 /nfs/dbraw/zinc/28/57/03/181285703.db2.gz VVYQJGCLKUHIJA-KPWVOAKYSA-N 0 0 314.366 3.615 40 5 DHBBRN O=C(CCSCc1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000007685512 181486534 /nfs/dbraw/zinc/48/65/34/181486534.db2.gz UGJIBSOSVPRFLM-UHFFFAOYSA-N 0 0 316.382 3.857 40 5 DHBBRN Cc1cccc(O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000008269962 181542279 /nfs/dbraw/zinc/54/22/79/181542279.db2.gz JXFXIPRZAAILST-ZDUSSCGKSA-N 0 0 314.341 3.618 40 5 DHBBRN O=[N+]([O-])c1ccc2[nH]c(SCc3ccccc3F)nc2c1 ZINC000016450122 182045145 /nfs/dbraw/zinc/04/51/45/182045145.db2.gz KYSIJUYEGLMRDE-UHFFFAOYSA-N 0 0 303.318 3.903 40 5 DHBBRN COC(=O)c1ccc(NCc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000022797957 182334620 /nfs/dbraw/zinc/33/46/20/182334620.db2.gz OTVHWONHBKMBCN-UHFFFAOYSA-N 0 0 320.732 3.647 40 5 DHBBRN Cc1ccc(CNc2ncc(Br)cc2[N+](=O)[O-])cc1 ZINC000039956705 183024401 /nfs/dbraw/zinc/02/44/01/183024401.db2.gz JBSDVYWHCLRKFV-UHFFFAOYSA-N 0 0 322.162 3.673 40 5 DHBBRN Cc1ccc(CCCNC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000010110374 257217948 /nfs/dbraw/zinc/21/79/48/257217948.db2.gz UFCCUMZJUYXQDL-UHFFFAOYSA-N 0 0 312.369 3.574 40 5 DHBBRN O=C(OCc1ccccc1F)c1cc([N+](=O)[O-])ccc1Cl ZINC000003514233 257219153 /nfs/dbraw/zinc/21/91/53/257219153.db2.gz CUKZBTLTEWYHCG-UHFFFAOYSA-N 0 0 309.680 3.744 40 5 DHBBRN CCc1ccc(CNC(=S)c2cccc([N+](=O)[O-])c2)cc1 ZINC000408575215 257229832 /nfs/dbraw/zinc/22/98/32/257229832.db2.gz SXWFLQMHCANIFG-UHFFFAOYSA-N 0 0 300.383 3.623 40 5 DHBBRN CCOc1ccccc1[C@@H](C[N+](=O)[O-])c1c[nH]c2ccccc21 ZINC000408567793 257230027 /nfs/dbraw/zinc/23/00/27/257230027.db2.gz HJVGHYIDMVDDOQ-MRXNPFEDSA-N 0 0 310.353 3.975 40 5 DHBBRN O=C(/C=C/c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000013953563 257231660 /nfs/dbraw/zinc/23/16/60/257231660.db2.gz JVOFSZZJZSYOQU-RMKNXTFCSA-N 0 0 302.717 3.900 40 5 DHBBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1cccc(CO)c1 ZINC000317303672 257213613 /nfs/dbraw/zinc/21/36/13/257213613.db2.gz XQUFTWKECZECKA-UHFFFAOYSA-N 0 0 313.231 3.898 40 5 DHBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC ZINC000315446659 257215549 /nfs/dbraw/zinc/21/55/49/257215549.db2.gz GMLAZNIXTHQFBP-UHFFFAOYSA-N 0 0 322.748 3.878 40 5 DHBBRN O=C(Cc1ccc(Cl)cc1F)Nc1cccc([N+](=O)[O-])c1 ZINC000225816615 563938908 /nfs/dbraw/zinc/93/89/08/563938908.db2.gz ZBRGJPGTUICUHD-UHFFFAOYSA-N 0 0 308.696 3.569 40 5 DHBBRN O=C(O[C@@H]1c2ccccc2C[C@@H]2C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000165999444 563451755 /nfs/dbraw/zinc/45/17/55/563451755.db2.gz MNVNKKKADIFGON-XOKHGSTOSA-N 0 0 309.321 3.685 40 5 DHBBRN C[C@]12C[C@H](CC(C)(C)C1)N(C(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000000086962 563523934 /nfs/dbraw/zinc/52/39/34/563523934.db2.gz JCIJVASDCBGDOI-YOEHRIQHSA-N 0 0 302.374 3.636 40 5 DHBBRN COc1ccccc1/C=C/C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000000149685 563617765 /nfs/dbraw/zinc/61/77/65/563617765.db2.gz WDGFBADQGXKAHI-CSKARUKUSA-N 0 0 312.325 3.564 40 5 DHBBRN O=[N+]([O-])c1cccc(NC(=S)NCCCc2ccccc2)c1 ZINC000013817342 563663434 /nfs/dbraw/zinc/66/34/34/563663434.db2.gz DKPBIEUBGKISNP-UHFFFAOYSA-N 0 0 315.398 3.514 40 5 DHBBRN COc1c(C)cccc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000014258304 563666348 /nfs/dbraw/zinc/66/63/48/563666348.db2.gz CKFDFHYWFYUJEW-UHFFFAOYSA-N 0 0 320.732 3.818 40 5 DHBBRN C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCC2 ZINC000053387746 563863089 /nfs/dbraw/zinc/86/30/89/563863089.db2.gz WOLXJXUOKHXPTL-ZDUSSCGKSA-N 0 0 324.380 3.503 40 5 DHBBRN O=C(Nc1cccc(Cl)c1)OCc1cccc([N+](=O)[O-])c1 ZINC000016399873 563871631 /nfs/dbraw/zinc/87/16/31/563871631.db2.gz GFRLHYSUEKKVJZ-UHFFFAOYSA-N 0 0 306.705 3.997 40 5 DHBBRN CCOC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ccccc21 ZINC000196117274 563920191 /nfs/dbraw/zinc/92/01/91/563920191.db2.gz GFSAIXUSFBRGPY-UHFFFAOYSA-N 0 0 322.320 3.987 40 5 DHBBRN CCN(CC)C(=S)Nc1cc2ccncc2c2ncccc12 ZINC000033855845 563923080 /nfs/dbraw/zinc/92/30/80/563923080.db2.gz XHXZLFKWUHRVAI-UHFFFAOYSA-N 0 0 310.426 3.822 40 5 DHBBRN Cc1ccc(O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000064982964 563927474 /nfs/dbraw/zinc/92/74/74/563927474.db2.gz WMYSXPIKDUSNNE-CYBMUJFWSA-N 0 0 314.341 3.618 40 5 DHBBRN CC(=O)c1ccc(NCCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000008177831 563947053 /nfs/dbraw/zinc/94/70/53/563947053.db2.gz IJVPEJOOQFJPAU-UHFFFAOYSA-N 0 0 302.305 3.591 40 5 DHBBRN CCc1cc2c(cc1OC(C)=O)oc1cn3ccccc3c1c2=O ZINC000000126561 1018463540 /nfs/dbraw/zinc/46/35/40/1018463540.db2.gz JNRYPEYPCHQOKC-UHFFFAOYSA-N 0 0 321.332 3.687 40 5 DHBBRN CC(C)(C)NC(=O)c1ccc2[nH]c3nc4ccccc4nc3c2c1 ZINC000038191118 1019351490 /nfs/dbraw/zinc/35/14/90/1019351490.db2.gz TWDOUHTYVPVNPW-UHFFFAOYSA-N 0 0 318.380 3.793 40 5 DHBBRN O=C(Cc1ccccc1[N+](=O)[O-])NCc1cccc2ccccc21 ZINC000079142966 185160047 /nfs/dbraw/zinc/16/00/47/185160047.db2.gz ZHKQOUQPPCHGCE-UHFFFAOYSA-N 0 0 320.348 3.607 40 5 DHBBRN CCOc1ccc(C(=O)Nc2c(C)cc([N+](=O)[O-])cc2C)cc1 ZINC000072228716 191076810 /nfs/dbraw/zinc/07/68/10/191076810.db2.gz QRJREYXVJRBBKA-UHFFFAOYSA-N 0 0 314.341 3.863 40 5 DHBBRN O=C(Nc1cc(Cl)c([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000072229445 191076851 /nfs/dbraw/zinc/07/68/51/191076851.db2.gz IQQUIOFHMBHDEN-UHFFFAOYSA-N 0 0 301.085 3.747 40 5 DHBBRN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003515910 181029371 /nfs/dbraw/zinc/02/93/71/181029371.db2.gz HDMXXEIIHPZSDQ-SNVBAGLBSA-N 0 0 320.732 3.654 40 5 DHBBRN C[C@]12C[C@@H](c3ccccc3)[C@H]([N+](=O)[O-])[C@H](O1)c1ccccc1N2 ZINC000003850841 181050193 /nfs/dbraw/zinc/05/01/93/181050193.db2.gz YIKIVCPEROTXPQ-DZJNRPSUSA-N 0 0 310.353 3.719 40 5 DHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccc(F)cc1 ZINC000004414627 181107993 /nfs/dbraw/zinc/10/79/93/181107993.db2.gz OFAQMFAPFSIMEJ-UHFFFAOYSA-N 0 0 320.345 3.773 40 5 DHBBRN O=C(c1ccc(Cl)cc1)[C@H]1C([N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000004404100 181107447 /nfs/dbraw/zinc/10/74/47/181107447.db2.gz SJNSSSKLWCVCGM-RBSFLKMASA-N 0 0 301.729 3.582 40 5 DHBBRN CCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000005307499 181228435 /nfs/dbraw/zinc/22/84/35/181228435.db2.gz KLTAVIFHZIGJIR-UHFFFAOYSA-N 0 0 316.269 3.888 40 5 DHBBRN Cc1cc(C(=O)NCc2cccc3ccccc32)ccc1[N+](=O)[O-] ZINC000222829194 201624496 /nfs/dbraw/zinc/62/44/96/201624496.db2.gz OLLWTXIWVAAMNS-UHFFFAOYSA-N 0 0 320.348 3.986 40 5 DHBBRN CC(C)c1ncc([N+](=O)[O-])n1C(=S)Nc1ccccc1Cl ZINC000016576033 182049566 /nfs/dbraw/zinc/04/95/66/182049566.db2.gz LCQGCXHAOOIKNB-UHFFFAOYSA-N 0 0 324.793 3.813 40 5 DHBBRN Cc1ccc(C)c([C@@H](C)NC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000018013898 182089698 /nfs/dbraw/zinc/08/96/98/182089698.db2.gz WBFJKINIISULQS-CQSZACIVSA-N 0 0 312.369 3.632 40 5 DHBBRN O=[N+]([O-])c1ccc2c(c1)nc(C1CCCCC1)n2CCCCO ZINC000020494196 182224560 /nfs/dbraw/zinc/22/45/60/182224560.db2.gz GOZVKTFVLXUEJP-UHFFFAOYSA-N 0 0 317.389 3.765 40 5 DHBBRN Cc1ccc(CNc2nccc(Br)c2[N+](=O)[O-])cc1 ZINC000039956702 183024566 /nfs/dbraw/zinc/02/45/66/183024566.db2.gz VTVHIKWJAIUHDX-UHFFFAOYSA-N 0 0 322.162 3.673 40 5 DHBBRN Cc1ccc([C@H](C)NC(=O)Cc2ccccc2[N+](=O)[O-])cc1C ZINC000059351392 184137462 /nfs/dbraw/zinc/13/74/62/184137462.db2.gz LFKKSEGKFBUTGZ-AWEZNQCLSA-N 0 0 312.369 3.632 40 5 DHBBRN O=[N+]([O-])/C=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC000409068177 257223269 /nfs/dbraw/zinc/22/32/69/257223269.db2.gz FYLDMUKXFYEQNC-CMDGGOBGSA-N 0 0 323.308 3.845 40 5 DHBBRN O=[N+]([O-])c1cccc(C(=S)NCc2ccc(Cl)cc2)c1 ZINC000408573212 257229811 /nfs/dbraw/zinc/22/98/11/257229811.db2.gz MWUVRXQZKJQWBZ-UHFFFAOYSA-N 0 0 306.774 3.714 40 5 DHBBRN CC[n+]1c(/C=C/c2cc([N+](=O)[O-])ccc2[O-])ccc2ccccc21 ZINC000034791377 563237446 /nfs/dbraw/zinc/23/74/46/563237446.db2.gz NPKXHGFROIMCTD-UHFFFAOYSA-O 0 0 321.356 3.931 40 5 DHBBRN CCCCN(C)C(=O)c1cc2c(ccc3ccccc32)oc1=O ZINC000036627534 563456469 /nfs/dbraw/zinc/45/64/69/563456469.db2.gz OQNCELAVIRLVEY-UHFFFAOYSA-N 0 0 309.365 3.818 40 5 DHBBRN Cc1ccc(C(=O)NCCC2CCCCCC2)cc1[N+](=O)[O-] ZINC000013675721 563468391 /nfs/dbraw/zinc/46/83/91/563468391.db2.gz UGDWOHWCEDCDOS-UHFFFAOYSA-N 0 0 304.390 3.994 40 5 DHBBRN Cc1cc(C)cc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000000516385 563659907 /nfs/dbraw/zinc/65/99/07/563659907.db2.gz UTMIHHPPBDTMPC-UHFFFAOYSA-N 0 0 314.341 3.538 40 5 DHBBRN Cc1cc(C(=O)NCc2ccc3ccccc3c2)ccc1[N+](=O)[O-] ZINC000222750272 563788737 /nfs/dbraw/zinc/78/87/37/563788737.db2.gz QZQVZNIOMQYWQD-UHFFFAOYSA-N 0 0 320.348 3.986 40 5 DHBBRN O=Cc1c(-c2cccc([N+](=O)[O-])c2)nc2sc3ccccc3n12 ZINC000002599582 563841931 /nfs/dbraw/zinc/84/19/31/563841931.db2.gz WGFTXAXKEFFDJA-UHFFFAOYSA-N 0 0 323.333 3.937 40 5 DHBBRN Nc1nnc(/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)s1 ZINC000005368808 563921211 /nfs/dbraw/zinc/92/12/11/563921211.db2.gz GJOAVTQVLPMYKB-GXDHUFHOSA-N 0 0 324.365 3.617 40 5 DHBBRN S=C(Nc1cc2cccnc2c2cccnc12)N1CCCC1 ZINC000006045381 563921327 /nfs/dbraw/zinc/92/13/27/563921327.db2.gz IPRGPDSAKFWTBT-UHFFFAOYSA-N 0 0 308.410 3.576 40 5 DHBBRN Cc1cccc(CSCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000008907888 563927538 /nfs/dbraw/zinc/92/75/38/563927538.db2.gz IYJXGJYRRPCHIU-UHFFFAOYSA-N 0 0 316.382 3.775 40 5 DHBBRN Cc1cccc(CCCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000010110639 563927861 /nfs/dbraw/zinc/92/78/61/563927861.db2.gz YBAITQXHLOBUJK-UHFFFAOYSA-N 0 0 312.369 3.574 40 5 DHBBRN O=[N+]([O-])c1ccc(SC(F)(F)F)cc1Br ZINC000604221779 563943713 /nfs/dbraw/zinc/94/37/13/563943713.db2.gz JZUUFCBUYTWJLX-UHFFFAOYSA-N 0 0 302.071 3.969 40 5 DHBBRN Cc1ccc2[nH]c(-c3cc4cccc([N+](=O)[O-])c4oc3=O)nc2c1 ZINC000032099678 563945278 /nfs/dbraw/zinc/94/52/78/563945278.db2.gz XLBOSOYQMLQODE-UHFFFAOYSA-N 0 0 321.292 3.553 40 5 DHBBRN Cc1c(NC(=O)c2cc(-c3ccccc3)on2)cccc1[N+](=O)[O-] ZINC000032203252 563945470 /nfs/dbraw/zinc/94/54/70/563945470.db2.gz MGMVROQZCXXPTP-UHFFFAOYSA-N 0 0 323.308 3.811 40 5 DHBBRN C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000014006938 568414759 /nfs/dbraw/zinc/41/47/59/568414759.db2.gz KYVMYUVQTBJQGI-JTQLQIEISA-N 0 0 320.732 3.654 40 5 DHBBRN Cc1cc(C)c(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C)c1 ZINC000001609945 568418226 /nfs/dbraw/zinc/41/82/26/568418226.db2.gz BNDOKZVGPNSQCX-UHFFFAOYSA-N 0 0 314.297 3.659 40 5 DHBBRN Cc1ccc(-c2nc3sc4nc5ccccc5nc4n3n2)cc1 ZINC000000031812 180672001 /nfs/dbraw/zinc/67/20/01/180672001.db2.gz FIMJRRYDHAHJQO-UHFFFAOYSA-N 0 0 317.377 3.863 40 5 DHBBRN CC1(C)C[C@@]2(O[C@@H]2c2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc21 ZINC000001754472 180894672 /nfs/dbraw/zinc/89/46/72/180894672.db2.gz AGBKNQAIKTUWMO-IEBWSBKVSA-N 0 0 323.348 3.969 40 5 DHBBRN CCOC(=O)c1[nH]c2ccc3cc4ccccc4cc3c2c1O ZINC000003844865 181048466 /nfs/dbraw/zinc/04/84/66/181048466.db2.gz QADWJJDYZKEKTF-KRWDZBQOSA-N 0 0 305.333 3.533 40 5 DHBBRN Cc1ccc(SCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000004366983 181102667 /nfs/dbraw/zinc/10/26/67/181102667.db2.gz YJVRNEJWODUMRY-UHFFFAOYSA-N 0 0 302.355 3.634 40 5 DHBBRN CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000004837949 181160043 /nfs/dbraw/zinc/16/00/43/181160043.db2.gz LKCRQZQMJXRASK-UHFFFAOYSA-N 0 0 314.341 3.863 40 5 DHBBRN CC1(C)[C@H]2CC[C@]1(C)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000004834298 181159493 /nfs/dbraw/zinc/15/94/93/181159493.db2.gz VZBJKOLKZKRUSB-RVSPLBMKSA-N 0 0 303.358 3.966 40 5 DHBBRN O=C(NCCCc1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005443610 181244008 /nfs/dbraw/zinc/24/40/08/181244008.db2.gz YIICKYOVJDCSQA-UHFFFAOYSA-N 0 0 318.760 3.611 40 5 DHBBRN CCCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005952112 181300078 /nfs/dbraw/zinc/30/00/78/181300078.db2.gz MWOAYTOJYNURJU-UHFFFAOYSA-N 0 0 300.314 3.636 40 5 DHBBRN Cc1ccc(NC(=S)Nc2ccccc2F)c([N+](=O)[O-])c1 ZINC000006275921 181325926 /nfs/dbraw/zinc/32/59/26/181325926.db2.gz UZRBPIVDYLRELJ-UHFFFAOYSA-N 0 0 305.334 3.851 40 5 DHBBRN Cc1ccc(CN(C)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000027772208 182490673 /nfs/dbraw/zinc/49/06/73/182490673.db2.gz KXEJKSNKLFFFKO-FMIVXFBMSA-N 0 0 310.353 3.575 40 5 DHBBRN Cc1nnc(SCc2c[nH]c3cc([N+](=O)[O-])ccc23)s1 ZINC000059459174 256539777 /nfs/dbraw/zinc/53/97/77/256539777.db2.gz GZVRLUGVGCNRMA-UHFFFAOYSA-N 0 0 306.372 3.528 40 5 DHBBRN CC[C@H](C)N1C(=O)S/C(=C/c2ccc(C)c([N+](=O)[O-])c2)C1=O ZINC000409020966 257224037 /nfs/dbraw/zinc/22/40/37/257224037.db2.gz WHFQAPYNIOIPIC-XNFYSYIQSA-N 0 0 320.370 3.738 40 5 DHBBRN CC(C)N1C(=O)S/C(=C/C=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000409024857 257224202 /nfs/dbraw/zinc/22/42/02/257224202.db2.gz YEIVDIUDXQRGBJ-WWFUZLPXSA-N 0 0 318.354 3.596 40 5 DHBBRN S=C(Nc1cc2ncccc2c2cccnc12)N1CCCC1 ZINC000408975590 257224885 /nfs/dbraw/zinc/22/48/85/257224885.db2.gz NOZFAWHOPGBDDA-UHFFFAOYSA-N 0 0 308.410 3.576 40 5 DHBBRN O=[N+]([O-])c1ccccc1OCc1ccc(Br)cc1 ZINC000042199635 336237347 /nfs/dbraw/zinc/23/73/47/336237347.db2.gz ZKELZUUOCHXMRQ-UHFFFAOYSA-N 0 0 308.131 3.936 40 5 DHBBRN Cc1ccc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000013989016 563546264 /nfs/dbraw/zinc/54/62/64/563546264.db2.gz UCBAGNUNNZJQPS-ZDUSSCGKSA-N 0 0 314.341 3.618 40 5 DHBBRN Cc1ccc2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000000319316 563587671 /nfs/dbraw/zinc/58/76/71/563587671.db2.gz NUGJDUCAQCINDB-UHFFFAOYSA-N 0 0 313.338 3.765 40 5 DHBBRN O=[N+]([O-])c1ccccc1-c1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000034925934 563795160 /nfs/dbraw/zinc/79/51/60/563795160.db2.gz GNWGMVSPBWOAOJ-UHFFFAOYSA-N 0 0 300.705 3.700 40 5 DHBBRN CCCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000007649254 563917654 /nfs/dbraw/zinc/91/76/54/563917654.db2.gz SMTVPQONTZHJNF-UHFFFAOYSA-N 0 0 314.341 3.944 40 5 DHBBRN CC(=O)c1ccc(Nc2cc([N+](=O)[O-])ccc2C)c([N+](=O)[O-])c1 ZINC000225209264 563925913 /nfs/dbraw/zinc/92/59/13/563925913.db2.gz DIXHECSIUZCUPK-UHFFFAOYSA-N 0 0 315.285 3.758 40 5 DHBBRN O=[N+]([O-])c1cc(Cl)cc(Br)c1Br ZINC000067799958 563928219 /nfs/dbraw/zinc/92/82/19/563928219.db2.gz UQODRTJYQDHKPU-UHFFFAOYSA-N 0 0 315.348 3.773 40 5 DHBBRN COC(=O)c1cc(Cl)c(NC2CCCCC2)c([N+](=O)[O-])c1 ZINC000070462655 563929236 /nfs/dbraw/zinc/92/92/36/563929236.db2.gz ILPFACWCEKBHNT-UHFFFAOYSA-N 0 0 312.753 3.779 40 5 DHBBRN Cc1c(C=O)c2ccccc2n1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000216959911 563941717 /nfs/dbraw/zinc/94/17/17/563941717.db2.gz OMMOCZCGDYKZPM-UHFFFAOYSA-N 0 0 322.320 3.667 40 5 DHBBRN CCC[C@H]1N=C(c2ccccc2)[C@@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)N21 ZINC000031670033 563944503 /nfs/dbraw/zinc/94/45/03/563944503.db2.gz BUDPWQYXDVEPCV-KVMHTSLLSA-N 0 0 321.380 3.949 40 5 DHBBRN CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1cccc(OC)c1 ZINC000072228672 191077072 /nfs/dbraw/zinc/07/70/72/191077072.db2.gz VRFCTIUNMMEKSR-UHFFFAOYSA-N 0 0 314.341 3.727 40 5 DHBBRN CN(C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000000033232 180672607 /nfs/dbraw/zinc/67/26/07/180672607.db2.gz CLTMONPKBRILRV-UHFFFAOYSA-N 0 0 305.721 3.917 40 5 DHBBRN CCOC(=O)c1cccc(-c2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000073642104 191335472 /nfs/dbraw/zinc/33/54/72/191335472.db2.gz MORPXGDKMPWGMF-UHFFFAOYSA-N 0 0 312.281 3.580 40 5 DHBBRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cccnc1Cl ZINC000005427686 181242157 /nfs/dbraw/zinc/24/21/57/181242157.db2.gz SBBOQDIRLOYTMM-UHFFFAOYSA-N 0 0 312.112 3.549 40 5 DHBBRN CN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000005509908 181251368 /nfs/dbraw/zinc/25/13/68/181251368.db2.gz NBYSWUAMGMXAFS-UHFFFAOYSA-N 0 0 304.733 3.520 40 5 DHBBRN C[C@]12C[C@H](c3ccccc3)[C@H]([N+](=O)[O-])[C@H](O1)c1ccccc1N2 ZINC000005658618 181268764 /nfs/dbraw/zinc/26/87/64/181268764.db2.gz YIKIVCPEROTXPQ-BZZMCLGOSA-N 0 0 310.353 3.719 40 5 DHBBRN C[C@H]1[C@H]2C[C@@H](C[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)C2(C)C ZINC000006183855 181318034 /nfs/dbraw/zinc/31/80/34/181318034.db2.gz QOCBDJRLSKCDKO-FATJJJSSSA-N 0 0 303.358 3.822 40 5 DHBBRN O=[N+]([O-])c1cc(Br)cc(Cl)c1Br ZINC000216843470 201499898 /nfs/dbraw/zinc/49/98/98/201499898.db2.gz PIUDWUPWIQWSDU-UHFFFAOYSA-N 0 0 315.348 3.773 40 5 DHBBRN Cc1c(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)cccc1[N+](=O)[O-] ZINC000223149114 201635046 /nfs/dbraw/zinc/63/50/46/201635046.db2.gz BGVIVIWACPXIIU-CYBMUJFWSA-N 0 0 324.380 3.883 40 5 DHBBRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCC2 ZINC000008267385 181541909 /nfs/dbraw/zinc/54/19/09/181541909.db2.gz VPKLDGUPHPNAQA-ZDUSSCGKSA-N 0 0 324.380 3.965 40 5 DHBBRN Cc1ccc([C@@H](C)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000020105441 182187251 /nfs/dbraw/zinc/18/72/51/182187251.db2.gz JGINOMYHSRWZRC-WEKMIXOTSA-N 0 0 310.353 3.794 40 5 DHBBRN CCCCNC(=O)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000020160200 182194149 /nfs/dbraw/zinc/19/41/49/182194149.db2.gz CNGXASHGAJKZCI-UHFFFAOYSA-N 0 0 312.778 3.993 40 5 DHBBRN O=[N+]([O-])c1cc(-c2nnc(-c3ccccc3)[nH]2)ccc1Cl ZINC000040169652 183043391 /nfs/dbraw/zinc/04/33/91/183043391.db2.gz DYCQFBIRTBOBSK-UHFFFAOYSA-N 0 0 300.705 3.700 40 5 DHBBRN O=[N+]([O-])c1ccc(Nc2n[nH]c(-c3cccc(Cl)c3)n2)cc1 ZINC000059843801 184141635 /nfs/dbraw/zinc/14/16/35/184141635.db2.gz RCSVIJYZWXRWQP-UHFFFAOYSA-N 0 0 315.720 3.777 40 5 DHBBRN Cc1ccc(C)c(OCc2nc(-c3ccccc3[N+](=O)[O-])n[nH]2)c1 ZINC000034925938 257129811 /nfs/dbraw/zinc/12/98/11/257129811.db2.gz XPKJMWAKYUMLKH-UHFFFAOYSA-N 0 0 324.340 3.576 40 5 DHBBRN O=C(/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1)N1CCCC1 ZINC000408914871 257226064 /nfs/dbraw/zinc/22/60/64/257226064.db2.gz YILHOGYGZMNAMZ-NBVRZTHBSA-N 0 0 322.364 3.758 40 5 DHBBRN Cc1cccc(CCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000013648928 563467575 /nfs/dbraw/zinc/46/75/75/563467575.db2.gz CBKOLXBBQRXPCX-FMIVXFBMSA-N 0 0 324.380 3.665 40 5 DHBBRN O=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3ccccc3)no2)c1 ZINC000013921250 563479407 /nfs/dbraw/zinc/47/94/07/563479407.db2.gz DRCWSVCAYKHNHO-UHFFFAOYSA-N 0 0 301.689 3.965 40 5 DHBBRN COc1ccc2nc3c(ccc4nc5ccccc5nc43)nc2c1 ZINC000076495174 563507071 /nfs/dbraw/zinc/50/70/71/563507071.db2.gz RYLCXZXGIITBFK-UHFFFAOYSA-N 0 0 312.332 3.888 40 5 DHBBRN COc1ccc(NC(=O)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000014258203 563565312 /nfs/dbraw/zinc/56/53/12/563565312.db2.gz GECGVUOSDOTLIP-UHFFFAOYSA-N 0 0 306.705 3.509 40 5 DHBBRN COc1ccc(NC(=O)c2ccc(C)cc2Cl)cc1[N+](=O)[O-] ZINC000014258205 563565470 /nfs/dbraw/zinc/56/54/70/563565470.db2.gz DEICBDQQSBOGSM-UHFFFAOYSA-N 0 0 320.732 3.818 40 5 DHBBRN CSc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000014428388 563567937 /nfs/dbraw/zinc/56/79/37/563567937.db2.gz VOQLHNKFDMFWOJ-UHFFFAOYSA-N 0 0 302.355 3.877 40 5 DHBBRN O=C(NCc1cccc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000196164961 563679715 /nfs/dbraw/zinc/67/97/15/563679715.db2.gz QQSMNLMWPGFBDA-UHFFFAOYSA-N 0 0 306.321 3.678 40 5 DHBBRN Cc1c(C(=O)NCc2ccc3ccccc3c2)cccc1[N+](=O)[O-] ZINC000222746626 563788999 /nfs/dbraw/zinc/78/89/99/563788999.db2.gz GYOXJILVDMTGLG-UHFFFAOYSA-N 0 0 320.348 3.986 40 5 DHBBRN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)/C=C/c1ccccc1 ZINC000001725459 563866158 /nfs/dbraw/zinc/86/61/58/563866158.db2.gz AHZZEOPZBAALFS-CMDGGOBGSA-N 0 0 323.757 3.693 40 5 DHBBRN CC(=O)Nc1cccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000001693761 563866271 /nfs/dbraw/zinc/86/62/71/563866271.db2.gz OIOQRCHFTCDJHD-UHFFFAOYSA-N 0 0 306.705 3.999 40 5 DHBBRN CCc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000036623425 563901685 /nfs/dbraw/zinc/90/16/85/563901685.db2.gz YWAMRVHRODLOMI-CYBMUJFWSA-N 0 0 312.369 3.957 40 5 DHBBRN O=C(c1c[nH]c2cc(Cl)ccc12)c1ccccc1[N+](=O)[O-] ZINC000199721405 563920347 /nfs/dbraw/zinc/92/03/47/563920347.db2.gz QJYQNRNNGQTFMJ-UHFFFAOYSA-N 0 0 300.701 3.961 40 5 DHBBRN Cc1ccc(CCCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000010110399 563922396 /nfs/dbraw/zinc/92/23/96/563922396.db2.gz GRXVJZDPPUPNAQ-UHFFFAOYSA-N 0 0 312.369 3.574 40 5 DHBBRN O=[N+]([O-])c1ccc(Sc2n[nH]c(C(F)(F)F)n2)c(Cl)c1 ZINC000078406586 563927973 /nfs/dbraw/zinc/92/79/73/563927973.db2.gz VLLYVSWHRZZLGH-UHFFFAOYSA-N 0 0 324.671 3.536 40 5 DHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cccc(Cl)c1 ZINC000067793663 563928258 /nfs/dbraw/zinc/92/82/58/563928258.db2.gz YTPRPCDJOSUTCP-UHFFFAOYSA-N 0 0 304.733 3.738 40 5 DHBBRN O=[N+]([O-])c1ccc(/C=C\c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000068564040 563928487 /nfs/dbraw/zinc/92/84/87/563928487.db2.gz VMTGPBWVKSSJTB-RJRFIUFISA-N 0 0 315.241 3.582 40 5 DHBBRN CCC[C@H]1N=C(c2ccccc2)[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)N21 ZINC000031670035 563944550 /nfs/dbraw/zinc/94/45/50/563944550.db2.gz BUDPWQYXDVEPCV-YCWDPJNJSA-N 0 0 321.380 3.949 40 5 DHBBRN Cc1cccc(C)c1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000225990777 201764515 /nfs/dbraw/zinc/76/45/15/201764515.db2.gz VHYDPKNAMWENFM-UHFFFAOYSA-N 0 0 310.353 3.882 40 5 DHBBRN CCCC(=O)Nc1cc(N2CCCC2)c([N+](=O)[O-])cc1Cl ZINC000072229027 191076735 /nfs/dbraw/zinc/07/67/35/191076735.db2.gz PVTCKCWCKMKOBG-UHFFFAOYSA-N 0 0 311.769 3.587 40 5 DHBBRN CC1(C)COC(CCCCC(=O)c2ccc([N+](=O)[O-])cc2)OC1 ZINC000002518062 180931513 /nfs/dbraw/zinc/93/15/13/180931513.db2.gz GCZVGKRQBANNGE-UHFFFAOYSA-N 0 0 321.373 3.737 40 5 DHBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000005907024 181295290 /nfs/dbraw/zinc/29/52/90/181295290.db2.gz FVJKHRMHAFTXSW-UHFFFAOYSA-N 0 0 300.314 3.554 40 5 DHBBRN C[C@H]1[C@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)CCC[C@@H]1C ZINC000007518777 181471781 /nfs/dbraw/zinc/47/17/81/181471781.db2.gz KOFNBXFPVFPOHV-MISXGVKJSA-N 0 0 307.419 3.706 40 5 DHBBRN CC(C)Oc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000014796274 181971120 /nfs/dbraw/zinc/97/11/20/181971120.db2.gz ZTTVRUARVZSMCG-UHFFFAOYSA-N 0 0 300.314 3.634 40 5 DHBBRN CCN(CC)c1c(Cl)cc([N+](=O)[O-])cc1Br ZINC000045885859 183533980 /nfs/dbraw/zinc/53/39/80/183533980.db2.gz HSWDNVAEBGMAMP-UHFFFAOYSA-N 0 0 307.575 3.857 40 5 DHBBRN Cc1cc([N+](=O)[O-])cc(Br)c1N1CCC(C)CC1 ZINC000045886373 183534794 /nfs/dbraw/zinc/53/47/94/183534794.db2.gz BYCKSAAJOGTJKY-UHFFFAOYSA-N 0 0 313.195 3.902 40 5 DHBBRN O=C(c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)N1CCCC1 ZINC000059843397 184141657 /nfs/dbraw/zinc/14/16/57/184141657.db2.gz JMUVPEOPNNQRJA-UHFFFAOYSA-N 0 0 320.732 3.744 40 5 DHBBRN CCCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000409122111 257222212 /nfs/dbraw/zinc/22/22/12/257222212.db2.gz ZFQXRISWHKVAQL-GHRIWEEISA-N 0 0 310.353 3.662 40 5 DHBBRN CCCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000409114452 257222405 /nfs/dbraw/zinc/22/24/05/257222405.db2.gz HQJFLPWUQRVRHA-VBKFSLOCSA-N 0 0 308.337 3.892 40 5 DHBBRN Cc1ccc(-c2cc3c4ccccc4oc(=O)c3c(N)n2)cc1 ZINC000408721402 257227620 /nfs/dbraw/zinc/22/76/20/257227620.db2.gz QLRYXNWTKYIWCE-UHFFFAOYSA-N 0 0 302.333 3.899 40 5 DHBBRN COc1cccc(NC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000126861548 195846910 /nfs/dbraw/zinc/84/69/10/195846910.db2.gz GUEYJPTUZCGOTD-UHFFFAOYSA-N 0 0 321.720 3.901 40 5 DHBBRN CC(C)(C)c1csc(NC(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000014793861 563673229 /nfs/dbraw/zinc/67/32/29/563673229.db2.gz GGWPUYMLPDJSGK-UHFFFAOYSA-N 0 0 305.359 3.601 40 5 DHBBRN O=c1[nH]c(=O)c2ccc3c4ccccc4sc4ccc1c2c43 ZINC000071789957 563501611 /nfs/dbraw/zinc/50/16/11/563501611.db2.gz OCOXAILSDCIMAH-UHFFFAOYSA-N 0 0 303.342 3.847 40 5 DHBBRN Cc1ccc(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000013989018 563546234 /nfs/dbraw/zinc/54/62/34/563546234.db2.gz UCBAGNUNNZJQPS-CYBMUJFWSA-N 0 0 314.341 3.618 40 5 DHBBRN COc1c(C)cccc1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000014258305 563565283 /nfs/dbraw/zinc/56/52/83/563565283.db2.gz IOUOMCVMHBOSFO-UHFFFAOYSA-N 0 0 320.732 3.818 40 5 DHBBRN Cn1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N/c1ccccc1 ZINC000100499154 563594535 /nfs/dbraw/zinc/59/45/35/563594535.db2.gz NIYGIRXWELPUAN-WUKNDPDISA-N 0 0 311.366 3.894 40 5 DHBBRN Cc1c(C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cccc1[N+](=O)[O-] ZINC000223149045 563811527 /nfs/dbraw/zinc/81/15/27/563811527.db2.gz BGVIVIWACPXIIU-ZDUSSCGKSA-N 0 0 324.380 3.883 40 5 DHBBRN Cc1ccccc1C(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000001569220 563863150 /nfs/dbraw/zinc/86/31/50/563863150.db2.gz BLKFKUFSVPUWFW-UHFFFAOYSA-N 0 0 320.142 3.897 40 5 DHBBRN CC1(C)C[C@@]2(O[C@H]2c2ccccc2[N+](=O)[O-])C(=O)c2ccccc21 ZINC000001754469 563877767 /nfs/dbraw/zinc/87/77/67/563877767.db2.gz BGJXGJKJBTWSKA-PKOBYXMFSA-N 0 0 323.348 3.969 40 5 DHBBRN C[C@@H](CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000007794342 563919457 /nfs/dbraw/zinc/91/94/57/563919457.db2.gz VLTRCVVNSJZVGK-VNDWYCCKSA-N 0 0 310.353 3.528 40 5 DHBBRN CC(=O)Nc1ccccc1SCc1cccc([N+](=O)[O-])c1 ZINC000006296200 563921307 /nfs/dbraw/zinc/92/13/07/563921307.db2.gz YBHQEVZAJMYAPQ-UHFFFAOYSA-N 0 0 302.355 3.846 40 5 DHBBRN CCCOC(=O)c1cc(Cl)c(N(CC)CC)c([N+](=O)[O-])c1 ZINC000070462220 563929402 /nfs/dbraw/zinc/92/94/02/563929402.db2.gz ZAFFXZWVVGEISM-UHFFFAOYSA-N 0 0 314.769 3.661 40 5 DHBBRN C[C@H]1Cc2ccccc2N1C(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000225989631 563939389 /nfs/dbraw/zinc/93/93/89/563939389.db2.gz SCAPBQJLGPWTBH-ZDUSSCGKSA-N 0 0 322.364 3.604 40 5 DHBBRN O=[N+]([O-])c1cccc([N+](=O)[O-])c1SCCNc1ccccc1 ZINC000003152630 563942490 /nfs/dbraw/zinc/94/24/90/563942490.db2.gz FUYNGZOHSNYPEN-UHFFFAOYSA-N 0 0 319.342 3.707 40 5 DHBBRN COc1ccccc1NC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000217268004 563943076 /nfs/dbraw/zinc/94/30/76/563943076.db2.gz HHINUYVRMUBCFE-UHFFFAOYSA-N 0 0 321.720 3.901 40 5 DHBBRN COc1cccc(O[C@@H](C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000076555410 185022786 /nfs/dbraw/zinc/02/27/86/185022786.db2.gz FXGVXQANAFNKTJ-JTQLQIEISA-N 0 0 313.313 3.620 40 5 DHBBRN C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000000086965 180688332 /nfs/dbraw/zinc/68/83/32/180688332.db2.gz JCIJVASDCBGDOI-RHSMWYFYSA-N 0 0 302.374 3.636 40 5 DHBBRN COc1ccccc1/C=C/c1cc(C)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003844833 181048477 /nfs/dbraw/zinc/04/84/77/181048477.db2.gz CQZDAEMVWHEBKV-BQYQJAHWSA-N 0 0 314.297 3.990 40 5 DHBBRN Cc1cc2cc(CNc3cccc([N+](=O)[O-])c3)c(=O)[nH]c2cc1C ZINC000004126363 181076772 /nfs/dbraw/zinc/07/67/72/181076772.db2.gz ICYXMETXJUOWCR-UHFFFAOYSA-N 0 0 323.352 3.665 40 5 DHBBRN Cc1cc([N+](=O)[O-])c(N[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000004587502 181127385 /nfs/dbraw/zinc/12/73/85/181127385.db2.gz MBRBBNXHWVYZGI-NSHDSACASA-N 0 0 301.302 3.985 40 5 DHBBRN CC[C@@H](C)Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004615189 181129802 /nfs/dbraw/zinc/12/98/02/181129802.db2.gz COAUHCNUULPWCV-ZCFIWIBFSA-N 0 0 307.228 3.732 40 5 DHBBRN O=c1c2cccc3cccc(c4nc5ccc([N+](=O)[O-])cc5n41)c32 ZINC000005531212 181254761 /nfs/dbraw/zinc/25/47/61/181254761.db2.gz USSCZVSMVZUNQY-UHFFFAOYSA-N 0 0 315.288 3.500 40 5 DHBBRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(F)c(Cl)c1 ZINC000005717247 181275961 /nfs/dbraw/zinc/27/59/61/181275961.db2.gz SFHORXFNIDOFAN-UHFFFAOYSA-N 0 0 308.696 3.569 40 5 DHBBRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1 ZINC000005717269 181276220 /nfs/dbraw/zinc/27/62/20/181276220.db2.gz QYJFGSCDPNHRFI-UHFFFAOYSA-N 0 0 324.258 3.795 40 5 DHBBRN O=C(NCCC1=CCCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000006330168 181330185 /nfs/dbraw/zinc/33/01/85/181330185.db2.gz RTWIJJAHPJGFNK-UHFFFAOYSA-N 0 0 308.765 3.869 40 5 DHBBRN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000007963030 181511708 /nfs/dbraw/zinc/51/17/08/181511708.db2.gz YXTNMTPAZPRCJG-NSHDSACASA-N 0 0 318.760 3.782 40 5 DHBBRN Cc1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] ZINC000016249538 182038868 /nfs/dbraw/zinc/03/88/68/182038868.db2.gz QFSCLRXRBHPGKH-UHFFFAOYSA-N 0 0 321.340 3.858 40 5 DHBBRN O=Cc1ccc(Sc2nc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000016545293 182049329 /nfs/dbraw/zinc/04/93/29/182049329.db2.gz HLZQFTMKORPULM-UHFFFAOYSA-N 0 0 300.295 3.700 40 5 DHBBRN CCSc1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000020104665 182187253 /nfs/dbraw/zinc/18/72/53/182187253.db2.gz MSDKZDQHABXOPM-UHFFFAOYSA-N 0 0 316.382 3.888 40 5 DHBBRN CCc1ccccc1O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000020112553 182188102 /nfs/dbraw/zinc/18/81/02/182188102.db2.gz SAKUKPBOQODXGJ-GFCCVEGCSA-N 0 0 314.341 3.563 40 5 DHBBRN O=[N+]([O-])c1ccc(NCc2ccc(Br)cc2)cc1 ZINC000035018423 182747728 /nfs/dbraw/zinc/74/77/28/182747728.db2.gz LKLWIJASAIUCKS-UHFFFAOYSA-N 0 0 307.147 3.969 40 5 DHBBRN COc1ccc(NC(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000009141524 257218001 /nfs/dbraw/zinc/21/80/01/257218001.db2.gz KDAAHDMXTWXICG-UHFFFAOYSA-N 0 0 306.705 3.509 40 5 DHBBRN Cc1ccccc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000007093800 257218592 /nfs/dbraw/zinc/21/85/92/257218592.db2.gz QXYNNDKUAJXWFP-UHFFFAOYSA-N 0 0 316.382 3.775 40 5 DHBBRN O=[N+]([O-])c1cc2c(cc1-c1nc3ccccc3s1)OCO2 ZINC000409192685 257221385 /nfs/dbraw/zinc/22/13/85/257221385.db2.gz FDFPQOWIKPBCGA-UHFFFAOYSA-N 0 0 300.295 3.600 40 5 DHBBRN CC(C)CNC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408923235 257225385 /nfs/dbraw/zinc/22/53/85/257225385.db2.gz GLDWWYTXXFKYAP-LDADJPATSA-N 0 0 324.380 3.908 40 5 DHBBRN Cc1cccc(NC(=O)CSCc2cccc([N+](=O)[O-])c2)c1 ZINC000408723879 257227911 /nfs/dbraw/zinc/22/79/11/257227911.db2.gz XWWJCNVCZKZPFN-UHFFFAOYSA-N 0 0 316.382 3.775 40 5 DHBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)/C=C/c1ccco1 ZINC000014258323 563565392 /nfs/dbraw/zinc/56/53/92/563565392.db2.gz ULZYIIHTMCQCBI-SNAWJCMRSA-N 0 0 306.705 3.802 40 5 DHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1OC(C)C ZINC000014663972 563569584 /nfs/dbraw/zinc/56/95/84/563569584.db2.gz UUZJKOXXVGROJN-UHFFFAOYSA-N 0 0 314.341 3.943 40 5 DHBBRN O=[N+]([O-])c1cccc(-c2nnc(SCc3ccccc3)o2)c1 ZINC000000244649 563580689 /nfs/dbraw/zinc/58/06/89/563580689.db2.gz RDQFDRQVOPQHDV-UHFFFAOYSA-N 0 0 313.338 3.937 40 5 DHBBRN Cc1ccccc1[C@H]1Oc2nc3cc([N+](=O)[O-])ccc3nc2C1O ZINC000104074015 563671960 /nfs/dbraw/zinc/67/19/60/563671960.db2.gz GEBOWNGGILIZGC-MRXNPFEDSA-N 0 0 323.308 3.900 40 5 DHBBRN Cc1ccc([C@@H]2Oc3nc4cc([N+](=O)[O-])ccc4nc3C2O)cc1 ZINC000104240040 563672858 /nfs/dbraw/zinc/67/28/58/563672858.db2.gz VUEYPPUZTMIRBA-INIZCTEOSA-N 0 0 323.308 3.900 40 5 DHBBRN NCC(=O)c1ccc2cc(Br)c3ccccc3c2c1 ZINC000053073972 563802932 /nfs/dbraw/zinc/80/29/32/563802932.db2.gz CRWATDVLKPSTCE-UHFFFAOYSA-N 0 0 314.182 3.897 40 5 DHBBRN C[NH+](C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000027987006 563836670 /nfs/dbraw/zinc/83/66/70/563836670.db2.gz OXNROIWRIKNANM-UHFFFAOYSA-N 0 0 322.368 3.509 40 5 DHBBRN C[C@H](NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000225990566 563883025 /nfs/dbraw/zinc/88/30/25/563883025.db2.gz BENNUKSFVBFAEA-ZDUSSCGKSA-N 0 0 310.353 3.504 40 5 DHBBRN Cc1ccc(C)c(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000225990763 563886115 /nfs/dbraw/zinc/88/61/15/563886115.db2.gz WVGXDTPBJOEOCT-UHFFFAOYSA-N 0 0 310.353 3.882 40 5 DHBBRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cc1 ZINC000007304177 563905164 /nfs/dbraw/zinc/90/51/64/563905164.db2.gz IBXHCDFCRITLRF-VIFPVBQESA-N 0 0 322.723 3.878 40 5 DHBBRN O=[N+]([O-])c1ccc2nc(SCc3ccccn3)sc2c1 ZINC000059417551 563945462 /nfs/dbraw/zinc/94/54/62/563945462.db2.gz CEAUIGCWRZHOBA-UHFFFAOYSA-N 0 0 303.368 3.892 40 5 DHBBRN O=C(C[C@H](C[N+](=O)[O-])c1ccccc1)c1ccc(Cl)cc1 ZINC000002048385 1024553986 /nfs/dbraw/zinc/55/39/86/1024553986.db2.gz LQZRGJIUGWYGJI-CQSZACIVSA-N 0 0 303.745 3.973 40 5 DHBBRN CCO[C@@]1([N+](=O)[O-])c2ccccc2-c2nc3ccccc3cc21 ZINC000013209110 1024819203 /nfs/dbraw/zinc/81/92/03/1024819203.db2.gz QAHYFDWSFBGVQY-SFHVURJKSA-N 0 0 306.321 3.730 40 5 DHBBRN COc1cccc(O[C@H](C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000076555412 185022601 /nfs/dbraw/zinc/02/26/01/185022601.db2.gz FXGVXQANAFNKTJ-SNVBAGLBSA-N 0 0 313.313 3.620 40 5 DHBBRN CC(C)(C)OC(=O)N1CCC(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000079031240 185147431 /nfs/dbraw/zinc/14/74/31/185147431.db2.gz HNXBHNXMRSXDRQ-UHFFFAOYSA-N 0 0 306.362 3.709 40 5 DHBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000008907328 190632931 /nfs/dbraw/zinc/63/29/31/190632931.db2.gz LBGXLMGEHXAKCT-UHFFFAOYSA-N 0 0 320.732 3.818 40 5 DHBBRN O=C1OC(/C=C\c2ccccc2)=N/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000005328231 181229577 /nfs/dbraw/zinc/22/95/77/181229577.db2.gz KQNCMDJXLIVQBU-ZQJDLNAESA-N 0 0 320.304 3.604 40 5 DHBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1Br ZINC000005344646 181232524 /nfs/dbraw/zinc/23/25/24/181232524.db2.gz CLHKDWJXPQWOBS-UHFFFAOYSA-N 0 0 321.130 3.610 40 5 DHBBRN Fc1ccc2[nH]c3nc4ncc(Br)cc4nc3c2c1 ZINC000005687871 181273193 /nfs/dbraw/zinc/27/31/93/181273193.db2.gz DSUUVNOBRBSQJD-UHFFFAOYSA-N 0 0 317.121 3.561 40 5 DHBBRN C[C@H]1CC(c2ccc([N+](=O)[O-])cc2)=Nc2ccccc2[S@@]1=O ZINC000005809423 181285845 /nfs/dbraw/zinc/28/58/45/181285845.db2.gz VVYQJGCLKUHIJA-SAHAZLINSA-N 0 0 314.366 3.615 40 5 DHBBRN C[C@@H](OC(=O)C1CCCCC1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000006160653 181317369 /nfs/dbraw/zinc/31/73/69/181317369.db2.gz WAPRYVAGIKWCPC-SNVBAGLBSA-N 0 0 317.345 3.656 40 5 DHBBRN Cc1cc2c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3sc2c(C)n1 ZINC000006275863 181325762 /nfs/dbraw/zinc/32/57/62/181325762.db2.gz WNBXKXMREGRVPN-UHFFFAOYSA-N 0 0 303.299 3.883 40 5 DHBBRN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1C ZINC000224036846 201667071 /nfs/dbraw/zinc/66/70/71/201667071.db2.gz GYEDRYRMDXKRHW-UHFFFAOYSA-N 0 0 320.732 3.818 40 5 DHBBRN C[C@@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000015744787 182014994 /nfs/dbraw/zinc/01/49/94/182014994.db2.gz WILFQYZNCSGKAR-TZIYXEQSSA-N 0 0 310.353 3.528 40 5 DHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccccc1Cl ZINC000019160882 182105879 /nfs/dbraw/zinc/10/58/79/182105879.db2.gz YULBWUAZRSTTTJ-UHFFFAOYSA-N 0 0 304.733 3.738 40 5 DHBBRN O=Cc1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000035657285 182783852 /nfs/dbraw/zinc/78/38/52/182783852.db2.gz HVMUSZVDGJGXLN-UHFFFAOYSA-N 0 0 322.660 3.761 40 5 DHBBRN Cc1ccnc(NCc2cccc(Br)c2)c1[N+](=O)[O-] ZINC000039956718 183024591 /nfs/dbraw/zinc/02/45/91/183024591.db2.gz DLHLNONIYDEKJH-UHFFFAOYSA-N 0 0 322.162 3.673 40 5 DHBBRN O=[N+]([O-])c1ccc2[nH]c(-c3ccccc3Br)nc2c1 ZINC000040169844 183043146 /nfs/dbraw/zinc/04/31/46/183043146.db2.gz ZDKXQTKZWXMIHW-UHFFFAOYSA-N 0 0 318.130 3.901 40 5 DHBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1cccc(F)c1 ZINC000009141746 257218233 /nfs/dbraw/zinc/21/82/33/257218233.db2.gz RLKPZNVZUMKKGH-UHFFFAOYSA-N 0 0 308.696 3.948 40 5 DHBBRN Cc1cccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1 ZINC000007093782 257218676 /nfs/dbraw/zinc/21/86/76/257218676.db2.gz QPKGLERTWXZHKO-UHFFFAOYSA-N 0 0 316.382 3.775 40 5 DHBBRN S=C(Nc1cc2cccnc2c2cccnc12)N1CCCCC1 ZINC000408978382 257224537 /nfs/dbraw/zinc/22/45/37/257224537.db2.gz ZDEGXNJTNZTPIA-UHFFFAOYSA-N 0 0 322.437 3.966 40 5 DHBBRN CCOc1ccc(/C=C\c2onc(C)c2[N+](=O)[O-])c(OCC)c1 ZINC000408542585 257230150 /nfs/dbraw/zinc/23/01/50/257230150.db2.gz KHGVXYJDQNYCEQ-CLFYSBASSA-N 0 0 318.329 3.859 40 5 DHBBRN Cc1ccc(C)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000000508862 262511476 /nfs/dbraw/zinc/51/14/76/262511476.db2.gz MNYPUINJIICKQU-UHFFFAOYSA-N 0 0 314.341 3.538 40 5 DHBBRN O=[N+]([O-])c1ccc2c(c1)nc(Cl)c1cc([N+](=O)[O-])ccc21 ZINC000001723739 563293889 /nfs/dbraw/zinc/29/38/89/563293889.db2.gz QDKHMKWDHJRERG-UHFFFAOYSA-N 0 0 303.661 3.858 40 5 DHBBRN CCOc1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000013669266 563468216 /nfs/dbraw/zinc/46/82/16/563468216.db2.gz RAESSAQUZYEMCM-UHFFFAOYSA-N 0 0 320.732 3.899 40 5 DHBBRN COc1ccc([N+](=O)[O-])cc1NC(=S)Nc1ccc(C)cc1 ZINC000013792600 563470872 /nfs/dbraw/zinc/47/08/72/563470872.db2.gz MOPUZBOHARANIP-UHFFFAOYSA-N 0 0 317.370 3.721 40 5 DHBBRN CCCC[C@@H](CC)CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000013957102 563503554 /nfs/dbraw/zinc/50/35/54/563503554.db2.gz IDUYBJLYICPRKR-PLSXKVAHSA-N 0 0 304.390 3.941 40 5 DHBBRN CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1cccc(F)c1 ZINC000045888879 563690744 /nfs/dbraw/zinc/69/07/44/563690744.db2.gz XGPGKXDRZOQLMI-UHFFFAOYSA-N 0 0 302.305 3.857 40 5 DHBBRN O=C(OCc1cccc([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 ZINC000028278002 563751050 /nfs/dbraw/zinc/75/10/50/563751050.db2.gz UUBHMRQGGPNFDK-UHFFFAOYSA-N 0 0 315.369 3.854 40 5 DHBBRN O=[N+]([O-])c1cc(Br)cc(Br)c1Cl ZINC000216842942 563856686 /nfs/dbraw/zinc/85/66/86/563856686.db2.gz SQFWJUIHMVPRGQ-UHFFFAOYSA-N 0 0 315.348 3.773 40 5 DHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(Cl)cc1F ZINC000223936014 563866162 /nfs/dbraw/zinc/86/61/62/563866162.db2.gz FTJURACVVUCPHK-UHFFFAOYSA-N 0 0 322.723 3.877 40 5 DHBBRN COc1cc([N+](=O)[O-])cc(-c2nc3ccccc3s2)c1OC ZINC000008110556 563922260 /nfs/dbraw/zinc/92/22/60/563922260.db2.gz FRUJKUXEPLPFQX-UHFFFAOYSA-N 0 0 316.338 3.889 40 5 DHBBRN COc1ccc(NC(=O)c2coc3ccc([N+](=O)[O-])cc23)cc1 ZINC000145427478 563923522 /nfs/dbraw/zinc/92/35/22/563923522.db2.gz VUSVXGFSWZESHP-UHFFFAOYSA-N 0 0 312.281 3.602 40 5 DHBBRN O=[N+]([O-])c1ccccc1CNc1cc(Cl)nc(C2CC2)n1 ZINC000217977540 563944377 /nfs/dbraw/zinc/94/43/77/563944377.db2.gz LHWUZSKKPWFUQG-UHFFFAOYSA-N 0 0 304.737 3.528 40 5 DHBBRN O=[N+]([O-])c1ccccc1NCc1ccc(Br)cc1 ZINC000035231886 568417947 /nfs/dbraw/zinc/41/79/47/568417947.db2.gz BFHGULMRFPEMOX-UHFFFAOYSA-N 0 0 307.147 3.969 40 5 DHBBRN Cc1ccccc1OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000371538 180769201 /nfs/dbraw/zinc/76/92/01/180769201.db2.gz GWTFARUYWONLQJ-UHFFFAOYSA-N 0 0 320.732 3.574 40 5 DHBBRN CCCNC(=O)Nc1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2 ZINC000001580974 180874979 /nfs/dbraw/zinc/87/49/79/180874979.db2.gz WIGFVWXLPMTKCJ-UHFFFAOYSA-N 0 0 311.341 3.698 40 5 DHBBRN O=C(CSc1ccc(F)cc1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000003492400 181026548 /nfs/dbraw/zinc/02/65/48/181026548.db2.gz JHUNCLZDXWHXCJ-UHFFFAOYSA-N 0 0 324.308 3.604 40 5 DHBBRN COc1ccc2[nH]c(SCc3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000004274173 181090653 /nfs/dbraw/zinc/09/06/53/181090653.db2.gz BBDZFYUMQNSDBD-UHFFFAOYSA-N 0 0 315.354 3.772 40 5 DHBBRN Cc1cc([N+](=O)[O-])c(N[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000004587503 181127295 /nfs/dbraw/zinc/12/72/95/181127295.db2.gz MBRBBNXHWVYZGI-LLVKDONJSA-N 0 0 301.302 3.985 40 5 DHBBRN O=C(Nc1ncc([N+](=O)[O-])s1)c1cc(Cl)cc(Cl)c1 ZINC000004746331 181146885 /nfs/dbraw/zinc/14/68/85/181146885.db2.gz IMXPRBVPXDZCDH-UHFFFAOYSA-N 0 0 318.141 3.610 40 5 DHBBRN COc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000005514681 181252311 /nfs/dbraw/zinc/25/23/11/181252311.db2.gz XSWNLWICNAPTOF-UHFFFAOYSA-N 0 0 306.705 3.509 40 5 DHBBRN Cc1cccnc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000005571367 181258715 /nfs/dbraw/zinc/25/87/15/181258715.db2.gz OGTLMWMNKZPZAC-UHFFFAOYSA-N 0 0 323.308 3.811 40 5 DHBBRN COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1Cl ZINC000005793120 181284206 /nfs/dbraw/zinc/28/42/06/181284206.db2.gz SIEODCLRQVMULO-UHFFFAOYSA-N 0 0 320.732 3.818 40 5 DHBBRN Cc1cc([N+](=O)[O-])cc2cc(-c3nc4ccccc4[nH]3)c(=N)oc12 ZINC000005904970 181295087 /nfs/dbraw/zinc/29/50/87/181295087.db2.gz DGMNQPPJIXFHAN-UHFFFAOYSA-N 0 0 320.308 3.672 40 5 DHBBRN COc1ccc(CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000006289762 181326240 /nfs/dbraw/zinc/32/62/40/181326240.db2.gz ZKIYQIKTNWALGE-UHFFFAOYSA-N 0 0 315.354 3.772 40 5 DHBBRN C[C@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000015744788 182015032 /nfs/dbraw/zinc/01/50/32/182015032.db2.gz WILFQYZNCSGKAR-BRADTZPFSA-N 0 0 310.353 3.528 40 5 DHBBRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 ZINC000018212526 182098797 /nfs/dbraw/zinc/09/87/97/182098797.db2.gz NBQMKCOXIGZFPC-CYBMUJFWSA-N 0 0 324.380 3.965 40 5 DHBBRN O=C(Nc1c(F)cccc1F)c1cc([N+](=O)[O-])ccc1Cl ZINC000020298610 182204047 /nfs/dbraw/zinc/20/40/47/182204047.db2.gz LJDIPLAKTVEFES-UHFFFAOYSA-N 0 0 312.659 3.779 40 5 DHBBRN Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000021126278 182266272 /nfs/dbraw/zinc/26/62/72/182266272.db2.gz XRRNXGQIPULEFY-ZDUSSCGKSA-N 0 0 314.341 3.618 40 5 DHBBRN Cc1ccc(C)c(OCc2nc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)c1 ZINC000040169541 183043697 /nfs/dbraw/zinc/04/36/97/183043697.db2.gz DHEQSHNXJWAVAJ-UHFFFAOYSA-N 0 0 324.340 3.576 40 5 DHBBRN CC(C)(C)NC(=S)Nc1cc2ncccc2c2cccnc12 ZINC000408973463 257224589 /nfs/dbraw/zinc/22/45/89/257224589.db2.gz BAMBHZWEFJOXJD-UHFFFAOYSA-N 0 0 310.426 3.868 40 5 DHBBRN CCCNC(=O)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 ZINC000408992327 257224645 /nfs/dbraw/zinc/22/46/45/257224645.db2.gz ABXWEIRHURMTNS-UHFFFAOYSA-N 0 0 319.368 3.796 40 5 DHBBRN CC(C)NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408907785 257226213 /nfs/dbraw/zinc/22/62/13/257226213.db2.gz RRJDPOSWJKVFFC-SFQUDFHCSA-N 0 0 310.353 3.660 40 5 DHBBRN CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc(Cl)c1O ZINC000408544443 257230142 /nfs/dbraw/zinc/23/01/42/257230142.db2.gz TWULIPIRBLPHQB-SNAWJCMRSA-N 0 0 324.720 3.819 40 5 DHBBRN Cc1noc(/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1[N+](=O)[O-] ZINC000408542145 257230153 /nfs/dbraw/zinc/23/01/53/257230153.db2.gz HMIJQTLQKIXDRD-HWKANZROSA-N 0 0 309.665 3.623 40 5 DHBBRN O=c1c2cccc3c([N+](=O)[O-])ccc(c4nc5ccccc5n41)c23 ZINC000000911793 563273212 /nfs/dbraw/zinc/27/32/12/563273212.db2.gz RLOJCIGUFVMNMI-UHFFFAOYSA-N 0 0 315.288 3.500 40 5 DHBBRN Cc1c2occc(=O)c2cc2c(-c3ccccc3)cc(=O)oc12 ZINC000001612557 563287991 /nfs/dbraw/zinc/28/79/91/563287991.db2.gz HSWLGYZOBSLIKO-UHFFFAOYSA-N 0 0 304.301 3.875 40 5 DHBBRN O=C(Nc1cccc([N+](=O)[O-])c1)/C(Cl)=C/c1ccccc1 ZINC000000086938 563523938 /nfs/dbraw/zinc/52/39/38/563523938.db2.gz MHWUKFSDBOTDHF-ZROIWOOFSA-N 0 0 302.717 3.813 40 5 DHBBRN CC[C@@H](Oc1ccccc1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000013994494 563546253 /nfs/dbraw/zinc/54/62/53/563546253.db2.gz MDMBMZAOIJMOIE-OAHLLOKOSA-N 0 0 314.341 3.699 40 5 DHBBRN O=C(NCc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000045201191 563688803 /nfs/dbraw/zinc/68/88/03/563688803.db2.gz BAOLNHNHYUJUEI-UHFFFAOYSA-N 0 0 306.321 3.678 40 5 DHBBRN O=[N+]([O-])c1cccc(Cl)c1Sc1n[nH]c(C(F)(F)F)n1 ZINC000078406531 563927887 /nfs/dbraw/zinc/92/78/87/563927887.db2.gz SQBAMEXKODMLNO-UHFFFAOYSA-N 0 0 324.671 3.536 40 5 DHBBRN Cc1ccc(OCCNc2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000030621282 563943566 /nfs/dbraw/zinc/94/35/66/563943566.db2.gz PFNBMQTXXOARMP-UHFFFAOYSA-N 0 0 323.352 3.942 40 5 DHBBRN CCC[C@@H]1N=C(c2ccccc2)[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)N21 ZINC000031670034 563944565 /nfs/dbraw/zinc/94/45/65/563944565.db2.gz BUDPWQYXDVEPCV-NBKVCPGTSA-N 0 0 321.380 3.949 40 5 DHBBRN O=[N+]([O-])c1c(Br)cc(Cl)cc1Br ZINC000238564525 1025502480 /nfs/dbraw/zinc/50/24/80/1025502480.db2.gz QQGVCPVDRUOKNK-UHFFFAOYSA-N 0 0 315.348 3.773 40 5 DHBBRN COc1ccc(C)cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000001986130 180904646 /nfs/dbraw/zinc/90/46/46/180904646.db2.gz UAYADHDTLSGABC-VQHVLOKHSA-N 0 0 312.325 3.564 40 5 DHBBRN O=[N+]([O-])c1cccc(S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000003848628 181049238 /nfs/dbraw/zinc/04/92/38/181049238.db2.gz QBBLAGCAUHWYRR-UHFFFAOYSA-N 0 0 313.334 3.581 40 5 DHBBRN O=[N+]([O-])c1ccc2nc(Nc3nc4ccccc4[nH]3)sc2c1 ZINC000003850517 181050221 /nfs/dbraw/zinc/05/02/21/181050221.db2.gz BEHXFWGBLYECBG-UHFFFAOYSA-N 0 0 311.326 3.824 40 5 DHBBRN O=[N+]([O-])c1ccc(Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000005335716 181231140 /nfs/dbraw/zinc/23/11/40/181231140.db2.gz AEHSCBLHNMWZRF-UHFFFAOYSA-N 0 0 316.298 3.856 40 5 DHBBRN O=[N+]([O-])c1ccc2[nH]nc(OCc3ccccc3Cl)c2c1 ZINC000005763115 181281455 /nfs/dbraw/zinc/28/14/55/181281455.db2.gz XCLCSCQDRUGXPR-UHFFFAOYSA-N 0 0 303.705 3.704 40 5 DHBBRN CC(C)c1nc([N+](=O)[O-])cn1C(=O)Nc1ccc(Cl)cc1 ZINC000006390630 181336347 /nfs/dbraw/zinc/33/63/47/181336347.db2.gz PMXRWYKFASXIRK-UHFFFAOYSA-N 0 0 308.725 3.648 40 5 DHBBRN COc1ccc2c3ccnc4c3n(c2c1)c(=O)c1ccccc14 ZINC000006624396 181362068 /nfs/dbraw/zinc/36/20/68/181362068.db2.gz UBBAMQXYGDKWNJ-UHFFFAOYSA-N 0 0 300.317 3.601 40 5 biogenic DHBBRN O=C(Cc1ccccc1F)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000019162998 182105910 /nfs/dbraw/zinc/10/59/10/182105910.db2.gz OXILNRNBDKKTPC-UHFFFAOYSA-N 0 0 308.696 3.569 40 5 DHBBRN Cc1cnc(NCc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000039956729 183025030 /nfs/dbraw/zinc/02/50/30/183025030.db2.gz QJSDZNXMHIBWIR-UHFFFAOYSA-N 0 0 322.162 3.673 40 5 DHBBRN Cc1cccc(CCCNC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000010110608 257218190 /nfs/dbraw/zinc/21/81/90/257218190.db2.gz DJRFEWQVFDRLGU-UHFFFAOYSA-N 0 0 312.369 3.574 40 5 DHBBRN CCCOc1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1OC ZINC000408544545 257230477 /nfs/dbraw/zinc/23/04/77/257230477.db2.gz UQLXMIDYFPLLMD-SOFGYWHQSA-N 0 0 318.329 3.859 40 5 DHBBRN Nc1cc(N2CCC[C@H](C(F)(F)F)C2)c(Cl)cc1[N+](=O)[O-] ZINC000045221424 134741302 /nfs/dbraw/zinc/74/13/02/134741302.db2.gz LLMGQICSOMDVGE-ZETCQYMHSA-N 0 0 323.702 3.609 40 5 DHBBRN C[C@@H]1Cc2ccccc2N1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000013596348 563467016 /nfs/dbraw/zinc/46/70/16/563467016.db2.gz NQNMUDKUAAYRTP-RUNBWSAHSA-N 0 0 308.337 3.586 40 5 DHBBRN Cc1ccc(O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1C ZINC000008040824 563499924 /nfs/dbraw/zinc/49/99/24/563499924.db2.gz RPLAHNIBEXFXPI-CYBMUJFWSA-N 0 0 314.341 3.618 40 5 DHBBRN Cn1cc(-c2ccc([N+](=O)[O-])cc2)s/c1=N/c1ccccc1 ZINC000100502299 563594718 /nfs/dbraw/zinc/59/47/18/563594718.db2.gz LAFLQRRDYGHFKO-WUKNDPDISA-N 0 0 311.366 3.894 40 5 DHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1c(C)cccc1C ZINC000000516391 563659894 /nfs/dbraw/zinc/65/98/94/563659894.db2.gz PXAQLOGCXHPUKY-UHFFFAOYSA-N 0 0 314.341 3.538 40 5 DHBBRN CCCOc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000014036470 563665337 /nfs/dbraw/zinc/66/53/37/563665337.db2.gz AQZVIQWRFLNKAB-UHFFFAOYSA-N 0 0 300.314 3.636 40 5 DHBBRN O=[N+]([O-])c1cc(Cl)c(N2CCCC2)c(Br)c1 ZINC000045885760 563690521 /nfs/dbraw/zinc/69/05/21/563690521.db2.gz SFNMJRTVMGYCDT-UHFFFAOYSA-N 0 0 305.559 3.611 40 5 DHBBRN O=[N+]([O-])c1ccc(CSc2nnc(-c3ccoc3)o2)cc1 ZINC000001378719 563812923 /nfs/dbraw/zinc/81/29/23/563812923.db2.gz PQAPIYCMBKIIRI-UHFFFAOYSA-N 0 0 303.299 3.530 40 5 DHBBRN O=Cc1c(-c2ccc([N+](=O)[O-])cc2)nc2sc3ccccc3n12 ZINC000002599583 563841909 /nfs/dbraw/zinc/84/19/09/563841909.db2.gz PYQOYPZZPGZNKB-UHFFFAOYSA-N 0 0 323.333 3.937 40 5 DHBBRN Cc1cc(NC(=O)/C=C/c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000075284896 563862136 /nfs/dbraw/zinc/86/21/36/563862136.db2.gz MGIQREKYBSEYHC-RUDMXATFSA-N 0 0 300.289 3.694 40 5 DHBBRN O=[N+]([O-])c1ccccc1NCc1ccccc1Br ZINC000037058934 563905761 /nfs/dbraw/zinc/90/57/61/563905761.db2.gz OMILGEHYGBDXRE-UHFFFAOYSA-N 0 0 307.147 3.969 40 5 DHBBRN COc1ccc2oc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2c1 ZINC000008166279 563922330 /nfs/dbraw/zinc/92/23/30/563922330.db2.gz RYXHNUKGHGMPHB-UHFFFAOYSA-N 0 0 312.281 3.602 40 5 DHBBRN O=C(Nc1cccc(OC2CCCC2)c1)c1ccc([N+](=O)[O-])o1 ZINC000044704455 563923168 /nfs/dbraw/zinc/92/31/68/563923168.db2.gz BUTIAPLUCWFFTE-UHFFFAOYSA-N 0 0 316.313 3.762 40 5 DHBBRN Cc1cccc(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000008267229 563947321 /nfs/dbraw/zinc/94/73/21/563947321.db2.gz KFWGMZYQQJYXHD-CYBMUJFWSA-N 0 0 314.341 3.618 40 5 DHBBRN O=[N+]([O-])c1cc(Cl)cc(I)c1Cl ZINC000216842847 568413221 /nfs/dbraw/zinc/41/32/21/568413221.db2.gz IOXMNJUDRNQJCN-UHFFFAOYSA-N 0 0 317.897 3.506 40 5 DHBBRN Cc1ccc(CN(C)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000014997026 1024935587 /nfs/dbraw/zinc/93/55/87/1024935587.db2.gz JRXUXEGTANSRJP-ZHACJKMWSA-N 0 0 310.353 3.575 40 5 DHBBRN Cc1cc(C(=O)NC(C)(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000225607640 186282654 /nfs/dbraw/zinc/28/26/54/186282654.db2.gz ZPRDMARMZADRLD-UHFFFAOYSA-N 0 0 312.369 3.654 40 5 DHBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1ccc(Cl)cc1 ZINC000003480035 181025125 /nfs/dbraw/zinc/02/51/25/181025125.db2.gz VUZOLNSMBZBFGL-BJMVGYQFSA-N 0 0 316.744 3.578 40 5 DHBBRN Cc1ccc(C)c2[nH]c(=O)c(CNc3cccc([N+](=O)[O-])c3)cc12 ZINC000004126351 181076806 /nfs/dbraw/zinc/07/68/06/181076806.db2.gz QCJYMZLOFJSLGR-UHFFFAOYSA-N 0 0 323.352 3.665 40 5 DHBBRN Cc1ccnc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000005588670 181260995 /nfs/dbraw/zinc/26/09/95/181260995.db2.gz ISOBKNNXGDJUBR-UHFFFAOYSA-N 0 0 323.308 3.811 40 5 DHBBRN Cc1cccc(CCCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000010110614 181657260 /nfs/dbraw/zinc/65/72/60/181657260.db2.gz HNZHHDONBCORBA-UHFFFAOYSA-N 0 0 312.369 3.574 40 5 DHBBRN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000013669355 181875355 /nfs/dbraw/zinc/87/53/55/181875355.db2.gz FQYNXKDGOSHBFS-SNVBAGLBSA-N 0 0 316.744 3.840 40 5 DHBBRN Cc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000015388874 182000020 /nfs/dbraw/zinc/00/00/20/182000020.db2.gz IUJDRNDXXSOIIJ-LLVKDONJSA-N 0 0 302.305 3.533 40 5 DHBBRN Cc1c(NC(=O)c2ccc(Cl)cc2F)cccc1[N+](=O)[O-] ZINC000015585024 182008367 /nfs/dbraw/zinc/00/83/67/182008367.db2.gz SGHKSEFDFBQQQQ-UHFFFAOYSA-N 0 0 308.696 3.948 40 5 DHBBRN CSc1ccc(NC2=Nc3ccc([N+](=O)[O-])cc3OC2)cc1 ZINC000016248763 182038405 /nfs/dbraw/zinc/03/84/05/182038405.db2.gz HRFJTJGLWRGQHV-UHFFFAOYSA-N 0 0 315.354 3.851 40 5 DHBBRN O=C(Nc1cccc(Cl)c1)n1ncc2cc([N+](=O)[O-])ccc21 ZINC000019074542 182104126 /nfs/dbraw/zinc/10/41/26/182104126.db2.gz MSVQFVRORZWYEL-UHFFFAOYSA-N 0 0 316.704 3.678 40 5 DHBBRN Cc1ccc(SCC(=O)Nc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000019894528 182161725 /nfs/dbraw/zinc/16/17/25/182161725.db2.gz HLWODEFNIOWNCC-UHFFFAOYSA-N 0 0 320.345 3.773 40 5 DHBBRN CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C ZINC000022250760 182315692 /nfs/dbraw/zinc/31/56/92/182315692.db2.gz JRZWMVQJGSOYFY-UHFFFAOYSA-N 0 0 314.341 3.863 40 5 DHBBRN COc1ccccc1C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1C ZINC000009141735 257217964 /nfs/dbraw/zinc/21/79/64/257217964.db2.gz YCARIUFCJMKWBR-UHFFFAOYSA-N 0 0 320.732 3.818 40 5 DHBBRN Cc1ccc(/C=C2/Sc3ccccc3NC2=O)cc1[N+](=O)[O-] ZINC000409108593 257223062 /nfs/dbraw/zinc/22/30/62/257223062.db2.gz XAVBKVMWCIRJFE-OQLLNIDSSA-N 0 0 312.350 3.989 40 5 DHBBRN CCOc1ccccc1[C@H](C[N+](=O)[O-])c1c[nH]c2ccccc21 ZINC000408567791 257229697 /nfs/dbraw/zinc/22/96/97/257229697.db2.gz HJVGHYIDMVDDOQ-INIZCTEOSA-N 0 0 310.353 3.975 40 5 DHBBRN CCOc1ccc(CNc2cccc([N+](=O)[O-])c2)cc1OC ZINC000315762074 257213899 /nfs/dbraw/zinc/21/38/99/257213899.db2.gz RIIQIDCQYRPYRG-UHFFFAOYSA-N 0 0 302.330 3.614 40 5 DHBBRN COc1cc([N+](=O)[O-])c(C)cc1Nc1ccc(OC)c(OC)c1 ZINC000005011250 563595577 /nfs/dbraw/zinc/59/55/77/563595577.db2.gz GIDJECPDEAGZMW-UHFFFAOYSA-N 0 0 318.329 3.673 40 5 DHBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OC ZINC000072846848 563675959 /nfs/dbraw/zinc/67/59/59/563675959.db2.gz OVUXMBLWQXKQPT-UHFFFAOYSA-N 0 0 302.330 3.614 40 5 DHBBRN Nc1cc(N2CCC(C(F)(F)F)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000045221448 563688534 /nfs/dbraw/zinc/68/85/34/563688534.db2.gz SAEWMCNPLWDKEB-UHFFFAOYSA-N 0 0 323.702 3.609 40 5 DHBBRN O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc([N+](=O)[O-])o1 ZINC000001042542 563787418 /nfs/dbraw/zinc/78/74/18/563787418.db2.gz IJFOMLAXRUWOKK-UHFFFAOYSA-N 0 0 323.717 3.703 40 5 DHBBRN O=C(NCc1cccc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000222825197 563789030 /nfs/dbraw/zinc/78/90/30/563789030.db2.gz WYIMLLQHYDPQBA-UHFFFAOYSA-N 0 0 306.321 3.678 40 5 DHBBRN Cc1cc(C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)ccc1[N+](=O)[O-] ZINC000223155924 563812122 /nfs/dbraw/zinc/81/21/22/563812122.db2.gz VKEWMXUNARHFEN-ZDUSSCGKSA-N 0 0 324.380 3.883 40 5 DHBBRN Cc1ccc(C(=O)NC(C)(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000223750676 563863614 /nfs/dbraw/zinc/86/36/14/563863614.db2.gz UZXHMRFCXPHTLY-UHFFFAOYSA-N 0 0 312.369 3.654 40 5 DHBBRN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000008168213 563905924 /nfs/dbraw/zinc/90/59/24/563905924.db2.gz UAKARRXULRYUKE-LLVKDONJSA-N 0 0 318.760 3.782 40 5 DHBBRN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000008168210 563905928 /nfs/dbraw/zinc/90/59/28/563905928.db2.gz UAKARRXULRYUKE-NSHDSACASA-N 0 0 318.760 3.782 40 5 DHBBRN COc1ccc2oc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2c1 ZINC000008166238 563922261 /nfs/dbraw/zinc/92/22/61/563922261.db2.gz WUOCEENFGVMFGL-UHFFFAOYSA-N 0 0 312.281 3.602 40 5 DHBBRN Cc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Cl ZINC000011427108 563928135 /nfs/dbraw/zinc/92/81/35/563928135.db2.gz DZUKADRHPRTKBZ-UHFFFAOYSA-N 0 0 304.733 3.738 40 5 DHBBRN Cc1c(C=O)c2ccccc2n1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000216960958 563941779 /nfs/dbraw/zinc/94/17/79/563941779.db2.gz MKADJFVNJVVKBD-UHFFFAOYSA-N 0 0 322.320 3.667 40 5 DHBBRN CC(C)(C)OC(=O)N1CCC[C@@H]([N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000057774540 563942673 /nfs/dbraw/zinc/94/26/73/563942673.db2.gz QAPYFCVBMZVWHR-KGLIPLIRSA-N 0 0 324.352 3.543 40 5 DHBBRN COc1ccc(Nc2ccc(C(C)=O)cc2[N+](=O)[O-])c(OC)c1 ZINC000008177579 563947016 /nfs/dbraw/zinc/94/70/16/563947016.db2.gz HMENYRJGZYQZAX-UHFFFAOYSA-N 0 0 316.313 3.558 40 5 DHBBRN Cc1ccccc1OCC(=O)Nc1c(C)cc([N+](=O)[O-])cc1C ZINC000072228774 191076771 /nfs/dbraw/zinc/07/67/71/191076771.db2.gz PHCCQXLPNLUTFC-UHFFFAOYSA-N 0 0 314.341 3.538 40 5 DHBBRN CCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1[N+](=O)[O-] ZINC000000293833 180750616 /nfs/dbraw/zinc/75/06/16/180750616.db2.gz PVCNOBFAXGIXPT-UHFFFAOYSA-N 0 0 314.341 3.863 40 5 DHBBRN Cc1ccc2cccc(OC(=O)c3cccc([N+](=O)[O-])c3)c2n1 ZINC000000326421 180759780 /nfs/dbraw/zinc/75/97/80/180759780.db2.gz YAZUAYXQPCAJST-UHFFFAOYSA-N 0 0 308.293 3.671 40 5 DHBBRN O=c1oc2ccc3ccccc3c2cc1-c1cn2cccnc2n1 ZINC000000352822 180764611 /nfs/dbraw/zinc/76/46/11/180764611.db2.gz DAEZMVNKWVUPHK-UHFFFAOYSA-N 0 0 313.316 3.656 40 5 DHBBRN O=C1c2ccccc2-c2cc(Br)c([N+](=O)[O-])cc21 ZINC000001674722 180886664 /nfs/dbraw/zinc/88/66/64/180886664.db2.gz HMNHDIGASGMTRP-UHFFFAOYSA-N 0 0 304.099 3.569 40 5 DHBBRN Cc1cccc(OCCCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000004042286 181066272 /nfs/dbraw/zinc/06/62/72/181066272.db2.gz MENWQSFLNJVXBV-UHFFFAOYSA-N 0 0 314.341 3.701 40 5 DHBBRN CC[C@H](C)Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004615191 181129926 /nfs/dbraw/zinc/12/99/26/181129926.db2.gz COAUHCNUULPWCV-LURJTMIESA-N 0 0 307.228 3.732 40 5 DHBBRN Cn1c2cc(O)ccc2c2c1c(=O)cc1[nH]c3ccccc3nc2-1 ZINC000005579959 181259546 /nfs/dbraw/zinc/25/95/46/181259546.db2.gz YJHYKKNKTBYJLQ-UHFFFAOYSA-N 0 0 315.332 3.839 40 5 DHBBRN Cc1ccc(C2=NN[C@](C)(c3ccc([N+](=O)[O-])cc3)S2)cc1 ZINC000005745670 181279936 /nfs/dbraw/zinc/27/99/36/181279936.db2.gz HUZNHTJPBRBJOC-INIZCTEOSA-N 0 0 313.382 3.774 40 5 DHBBRN COc1cccc(CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000006694050 181370958 /nfs/dbraw/zinc/37/09/58/181370958.db2.gz QDQVQXXJTKNJGI-UHFFFAOYSA-N 0 0 315.354 3.772 40 5 DHBBRN CC(C)COC(=O)N1c2ccc([N+](=O)[O-])c3cccc(c23)C1=O ZINC000011691513 181698823 /nfs/dbraw/zinc/69/88/23/181698823.db2.gz WFJSUIQRIJQUGU-UHFFFAOYSA-N 0 0 314.297 3.501 40 5 DHBBRN O=C(CCc1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000012459894 181765691 /nfs/dbraw/zinc/76/56/91/181765691.db2.gz LGIKJQNIMUCYRD-UHFFFAOYSA-N 0 0 304.733 3.820 40 5 DHBBRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 ZINC000018212528 182098565 /nfs/dbraw/zinc/09/85/65/182098565.db2.gz NBQMKCOXIGZFPC-ZDUSSCGKSA-N 0 0 324.380 3.965 40 5 DHBBRN Cc1cc(C)c(NC(=O)CSc2ccccc2)c([N+](=O)[O-])c1 ZINC000019929523 182165674 /nfs/dbraw/zinc/16/56/74/182165674.db2.gz AYJLWZIIFLBMGT-UHFFFAOYSA-N 0 0 316.382 3.942 40 5 DHBBRN O=C(CSCc1ccccc1F)Nc1cccc([N+](=O)[O-])c1 ZINC000024064870 182374639 /nfs/dbraw/zinc/37/46/39/182374639.db2.gz LDMMMZUXKAZGRO-UHFFFAOYSA-N 0 0 320.345 3.606 40 5 DHBBRN COCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000026031640 182429325 /nfs/dbraw/zinc/42/93/25/182429325.db2.gz SSGROLJQIIWFSG-UHFFFAOYSA-N 0 0 320.732 3.647 40 5 DHBBRN Cc1ccnc(NCc2ccccc2Br)c1[N+](=O)[O-] ZINC000039956708 183024330 /nfs/dbraw/zinc/02/43/30/183024330.db2.gz HEPQBGDWTBBOIT-UHFFFAOYSA-N 0 0 322.162 3.673 40 5 DHBBRN Cc1ccccc1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000039956687 183024536 /nfs/dbraw/zinc/02/45/36/183024536.db2.gz YWUWGKPFULNJCF-UHFFFAOYSA-N 0 0 322.162 3.673 40 5 DHBBRN Cc1cnc(NCc2cccc(Br)c2)c([N+](=O)[O-])c1 ZINC000039956721 183025391 /nfs/dbraw/zinc/02/53/91/183025391.db2.gz JRVFZISGKOSDQH-UHFFFAOYSA-N 0 0 322.162 3.673 40 5 DHBBRN O=[N+]([O-])c1ccc(-c2nnc(-c3cccc(Cl)c3)[nH]2)cc1 ZINC000040169535 183043225 /nfs/dbraw/zinc/04/32/25/183043225.db2.gz FDNVSFWFFMDRTN-UHFFFAOYSA-N 0 0 300.705 3.700 40 5 DHBBRN CC1(C)COC(CCCCC(=O)c2cccc([N+](=O)[O-])c2)OC1 ZINC000043214494 183345413 /nfs/dbraw/zinc/34/54/13/183345413.db2.gz XYRDBDSYSRAOCM-UHFFFAOYSA-N 0 0 321.373 3.737 40 5 DHBBRN CCOC(=O)c1cc([N+](=O)[O-])c(NC2CCCCC2)cc1OC ZINC000045957613 183540040 /nfs/dbraw/zinc/54/00/40/183540040.db2.gz NGUTVSJDAPKEEK-UHFFFAOYSA-N 0 0 322.361 3.525 40 5 DHBBRN CC(C)(C)CC(C)(C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000059240811 184136132 /nfs/dbraw/zinc/13/61/32/184136132.db2.gz BLJQFIQMEKMMLJ-DHZHZOJOSA-N 0 0 304.390 3.939 40 5 DHBBRN Cc1nc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2s1 ZINC000408980372 257224536 /nfs/dbraw/zinc/22/45/36/257224536.db2.gz VYFUWLFLPYHHCM-UHFFFAOYSA-N 0 0 313.338 3.765 40 5 DHBBRN S=C(Nc1cc2ccncc2c2ncccc12)N1CCCCC1 ZINC000408974999 257224682 /nfs/dbraw/zinc/22/46/82/257224682.db2.gz IKPWEOSECCUBKE-UHFFFAOYSA-N 0 0 322.437 3.966 40 5 DHBBRN O=C(Nc1cc2ccncc2c2ncccc12)N1CCCCC1 ZINC000408976917 257224685 /nfs/dbraw/zinc/22/46/85/257224685.db2.gz SWXMTPSUQCWXHR-UHFFFAOYSA-N 0 0 306.369 3.801 40 5 DHBBRN Cc1noc(/C=C\c2cccc(Br)c2)c1[N+](=O)[O-] ZINC000408541938 257230086 /nfs/dbraw/zinc/23/00/86/257230086.db2.gz GPWKZKZEYPTXBN-WAYWQWQTSA-N 0 0 309.119 3.824 40 5 DHBBRN Cc1noc(/C=C/c2cc([N+](=O)[O-])ccc2Cl)c1[N+](=O)[O-] ZINC000408543218 257230139 /nfs/dbraw/zinc/23/01/39/257230139.db2.gz NTCKWKAUWBKKAH-GORDUTHDSA-N 0 0 309.665 3.623 40 5 DHBBRN COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc(Cl)c1OC ZINC000408541334 257230300 /nfs/dbraw/zinc/23/03/00/257230300.db2.gz CHFFSCQFBVKHDY-SNAWJCMRSA-N 0 0 324.720 3.732 40 5 DHBBRN O=[N+]([O-])c1ccc(CSCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001675839 563864338 /nfs/dbraw/zinc/86/43/38/563864338.db2.gz GBXDBWABBXCMOL-UHFFFAOYSA-N 0 0 304.327 3.936 40 5 DHBBRN Cc1cc(C(=O)NCCC2CCCCCC2)ccc1[N+](=O)[O-] ZINC000013648990 563467209 /nfs/dbraw/zinc/46/72/09/563467209.db2.gz LOWKPLAKUUGCKT-UHFFFAOYSA-N 0 0 304.390 3.994 40 5 DHBBRN Cc1c(C(=O)NCCC2CCCCCC2)cccc1[N+](=O)[O-] ZINC000013631895 563467272 /nfs/dbraw/zinc/46/72/72/563467272.db2.gz AVZYQVFSORRNBF-UHFFFAOYSA-N 0 0 304.390 3.994 40 5 DHBBRN O=C(OCc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000000563772 563670806 /nfs/dbraw/zinc/67/08/06/563670806.db2.gz ONHCLQBDVAOSCM-UHFFFAOYSA-N 0 0 309.680 3.744 40 5 DHBBRN CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccc(F)cc1 ZINC000045888865 563690706 /nfs/dbraw/zinc/69/07/06/563690706.db2.gz XTWKQJOHGYTUBA-UHFFFAOYSA-N 0 0 302.305 3.857 40 5 DHBBRN O=C(Nc1ccccc1)OCCSc1ccc([N+](=O)[O-])cc1 ZINC000001717889 563866280 /nfs/dbraw/zinc/86/62/80/563866280.db2.gz NDVLEDWCWDUJJY-UHFFFAOYSA-N 0 0 318.354 3.936 40 5 DHBBRN Cc1ccc(CCCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000010110382 563927945 /nfs/dbraw/zinc/92/79/45/563927945.db2.gz YHDPDNNKKYSAAS-UHFFFAOYSA-N 0 0 312.369 3.574 40 5 DHBBRN Cc1c(C(=O)N(C)Cc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000030844998 563943874 /nfs/dbraw/zinc/94/38/74/563943874.db2.gz YIPUWGGLWWJIQS-UHFFFAOYSA-N 0 0 318.760 3.829 40 5 DHBBRN O=[N+]([O-])c1ccc(NCc2ccc(O)c(Br)c2)cc1 ZINC000058615285 563944585 /nfs/dbraw/zinc/94/45/85/563944585.db2.gz ZQCKKSNMUKNFEH-UHFFFAOYSA-N 0 0 323.146 3.675 40 5 DHBBRN O=[N+]([O-])c1ccccc1-c1ccc(Br)cc1[N+](=O)[O-] ZINC000039242434 563950990 /nfs/dbraw/zinc/95/09/90/563950990.db2.gz OKBSZHNALYQYLR-UHFFFAOYSA-N 0 0 323.102 3.933 40 5 DHBBRN CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1ccccc1OC ZINC000072228914 191077526 /nfs/dbraw/zinc/07/75/26/191077526.db2.gz QEPXOHQKINGRIS-UHFFFAOYSA-N 0 0 314.341 3.727 40 5 DHBBRN O=C(/C=C/c1ccccc1Cl)Nc1cccc([N+](=O)[O-])c1 ZINC000000579387 180825758 /nfs/dbraw/zinc/82/57/58/180825758.db2.gz KCXTUBHPXJXOGE-CMDGGOBGSA-N 0 0 302.717 3.900 40 5 DHBBRN O=[N+]([O-])c1c(Nc2ccccc2)ncnc1Nc1ccccc1 ZINC000004774504 181150381 /nfs/dbraw/zinc/15/03/81/181150381.db2.gz KPYIJACZWVDOOQ-UHFFFAOYSA-N 0 0 307.313 3.872 40 5 DHBBRN O=C(/C=C/c1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000005680528 181271480 /nfs/dbraw/zinc/27/14/80/181271480.db2.gz MUISATOWNNDLDV-RMKNXTFCSA-N 0 0 302.717 3.900 40 5 DHBBRN COc1ccc(NC(=O)Nc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000006212900 181320010 /nfs/dbraw/zinc/32/00/10/181320010.db2.gz OTMZIFUFGKOUEY-UHFFFAOYSA-N 0 0 301.302 3.556 40 5 DHBBRN O=[N+]([O-])C[C@@H](SCc1ccccc1)c1ccc2c(c1)OCO2 ZINC000006575170 181356526 /nfs/dbraw/zinc/35/65/26/181356526.db2.gz SEQGYDSVNJWFHM-MRXNPFEDSA-N 0 0 317.366 3.667 40 5 DHBBRN CCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000013676433 181877893 /nfs/dbraw/zinc/87/78/93/181877893.db2.gz KXIKXDQPLZGXEE-UHFFFAOYSA-N 0 0 320.732 3.899 40 5 DHBBRN CC(=O)Nc1ccc2c(c1)[nH]c(=O)c1cc(Cl)c(Cl)cc21 ZINC000016921933 182064752 /nfs/dbraw/zinc/06/47/52/182064752.db2.gz NGEHMLFIXVHELF-UHFFFAOYSA-N 0 0 321.163 3.947 40 5 DHBBRN CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000020488783 182223851 /nfs/dbraw/zinc/22/38/51/182223851.db2.gz QJJOZZBSPYJFDH-OAHLLOKOSA-N 0 0 318.304 3.530 40 5 DHBBRN O=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 ZINC000035668599 182785116 /nfs/dbraw/zinc/78/51/16/182785116.db2.gz GGABEDXDRHJOCJ-UHFFFAOYSA-N 0 0 322.660 3.761 40 5 DHBBRN Cc1cc(NC(=O)c2cnccn2)c2ccc3ccccc3c2n1 ZINC000040384521 183059373 /nfs/dbraw/zinc/05/93/73/183059373.db2.gz POGNJHDUDNHLSI-UHFFFAOYSA-N 0 0 314.348 3.739 40 5 DHBBRN Cc1ccc(O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000064982963 256541077 /nfs/dbraw/zinc/54/10/77/256541077.db2.gz WMYSXPIKDUSNNE-ZDUSSCGKSA-N 0 0 314.341 3.618 40 5 DHBBRN COc1c(NC(=O)c2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000001738776 563294417 /nfs/dbraw/zinc/29/44/17/563294417.db2.gz TXVBEUPTESNMAR-UHFFFAOYSA-N 0 0 306.705 3.509 40 5 DHBBRN O=C1C[C@H](c2ccc([N+](=O)[O-])cc2)Sc2ccccc2N1 ZINC000000062340 563515891 /nfs/dbraw/zinc/51/58/91/563515891.db2.gz WFOHNGHRODWGLU-CQSZACIVSA-N 0 0 300.339 3.770 40 5 DHBBRN Cc1ccc(C)c(/C=C2/N=C(c3ccccc3[N+](=O)[O-])OC2=O)c1 ZINC000001440585 563832009 /nfs/dbraw/zinc/83/20/09/563832009.db2.gz LPFKUTDTKRARLC-XNTDXEJSSA-N 0 0 322.320 3.556 40 5 DHBBRN CCNC(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000144999608 563923515 /nfs/dbraw/zinc/92/35/15/563923515.db2.gz APTNOWXQUVTOMT-UHFFFAOYSA-N 0 0 317.370 3.887 40 5 DHBBRN C[C@@H]1C[C@@H](C)CN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000216767304 563941386 /nfs/dbraw/zinc/94/13/86/563941386.db2.gz LDHQJXYCBQZASX-NXEZZACHSA-N 0 0 313.195 3.840 40 5 DHBBRN O=[N+]([O-])c1ccc(OCc2cccc3ccccc32)c(CO)c1 ZINC000216854088 563941486 /nfs/dbraw/zinc/94/14/86/563941486.db2.gz QKLTXZSPNJICSV-UHFFFAOYSA-N 0 0 309.321 3.819 40 5 DHBBRN CC(C)(C)c1nc(Cl)cc(Nc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000328997295 563959677 /nfs/dbraw/zinc/95/96/77/563959677.db2.gz JOBGMEQZMRCRER-UHFFFAOYSA-N 0 0 324.743 4.218 40 5 DHBBRN