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-])c1cccc(Nc2nc3ccccc3c(NC3CC3)n2)c1 ZINC000072260977 191088289 /nfs/dbraw/zinc/08/82/89/191088289.db2.gz WWWGTTDLTWGNNN-UHFFFAOYSA-N 0 0 321.340 3.856 10 5 DHBERN COc1ccc(Nc2nccc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000072443572 191168590 /nfs/dbraw/zinc/16/85/90/191168590.db2.gz ODQKJDUJFMCLQN-UHFFFAOYSA-N 0 0 322.324 3.804 10 5 DHBERN CCOP(=O)(CNc1ccc(Cl)cc1[N+](=O)[O-])OCC ZINC000004288836 181093058 /nfs/dbraw/zinc/09/30/58/181093058.db2.gz QLWBKMAVIJATAE-UHFFFAOYSA-N 0 0 322.685 3.884 10 5 DHBERN C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1 ZINC000005109344 181204340 /nfs/dbraw/zinc/20/43/40/181204340.db2.gz RKGSGLZLNFBIFP-JTQLQIEISA-N 0 0 320.732 3.654 10 5 DHBERN CCCn1c(CC)nc2cc(C(F)(F)F)cc([N+](=O)[O-])c21 ZINC000005139232 181208700 /nfs/dbraw/zinc/20/87/00/181208700.db2.gz NBCHQZJRNHOSCM-UHFFFAOYSA-N 0 0 301.268 3.936 10 5 DHBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1cccc(Cl)c1 ZINC000005750073 181280151 /nfs/dbraw/zinc/28/01/51/181280151.db2.gz VTRLLXOPTHOBDP-UHFFFAOYSA-N 0 0 320.732 3.574 10 5 DHBERN C/C(=C\c1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000006301602 181327876 /nfs/dbraw/zinc/32/78/76/181327876.db2.gz KHEKDOVIFKIZSN-PKNBQFBNSA-N 0 0 300.289 3.776 10 5 DHBERN CC[C@H](Oc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000006596268 181359223 /nfs/dbraw/zinc/35/92/23/181359223.db2.gz VXKUGBQGYQUZDV-HNNXBMFYSA-N 0 0 318.304 3.530 10 5 DHBERN O=[N+]([O-])c1cc(NC(=S)NCc2ccccc2)ccc1Cl ZINC000006885196 181402199 /nfs/dbraw/zinc/40/21/99/181402199.db2.gz HTOWMPMUUYWNAJ-UHFFFAOYSA-N 0 0 321.789 3.735 10 5 DHBERN Cc1cccc(C(=O)Nc2nc3cc([N+](=O)[O-])ccc3s2)c1 ZINC000012287498 181745287 /nfs/dbraw/zinc/74/52/87/181745287.db2.gz AJTXZUYGJSQKCB-UHFFFAOYSA-N 0 0 313.338 3.765 10 5 DHBERN Cc1ccccc1C(=O)Nc1nc2cc([N+](=O)[O-])ccc2s1 ZINC000012287574 181745807 /nfs/dbraw/zinc/74/58/07/181745807.db2.gz HUEGTWYSQPBDIH-UHFFFAOYSA-N 0 0 313.338 3.765 10 5 DHBERN Cc1ccccc1Nc1ncnc(NC2CCCC2)c1[N+](=O)[O-] ZINC000040648081 183114155 /nfs/dbraw/zinc/11/41/55/183114155.db2.gz KAIHCHHLMDPRPG-UHFFFAOYSA-N 0 0 313.361 3.791 10 5 DHBERN Cc1ccccc1Nc1ncnc(Oc2cccnc2)c1[N+](=O)[O-] ZINC000040648064 183114379 /nfs/dbraw/zinc/11/43/79/183114379.db2.gz OFGYQMLOZPYEOS-UHFFFAOYSA-N 0 0 323.312 3.624 10 5 DHBERN CCN(c1cccc(C)c1)c1ncnc(OC(C)C)c1[N+](=O)[O-] ZINC000040572509 183104367 /nfs/dbraw/zinc/10/43/67/183104367.db2.gz JJSHGMKTZGKQHT-UHFFFAOYSA-N 0 0 316.361 3.638 10 5 DHBERN CCCNc1ncnc(Nc2ccc(CC)cc2)c1[N+](=O)[O-] ZINC000040587218 183105585 /nfs/dbraw/zinc/10/55/85/183105585.db2.gz WBAQIMGLRWGMOB-UHFFFAOYSA-N 0 0 301.350 3.513 10 5 DHBERN CCCNc1ncnc(Nc2ccc(C)cc2C)c1[N+](=O)[O-] ZINC000040596810 183107114 /nfs/dbraw/zinc/10/71/14/183107114.db2.gz HVAGQFRHSYAWNJ-UHFFFAOYSA-N 0 0 301.350 3.567 10 5 DHBERN CC(C)Nc1ncnc(Nc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000040597540 183107607 /nfs/dbraw/zinc/10/76/07/183107607.db2.gz INMLUXZQGIJRLW-UHFFFAOYSA-N 0 0 307.741 3.602 10 5 DHBERN Nc1cccc2c1CCCN2Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000262083515 332019234 /nfs/dbraw/zinc/01/92/34/332019234.db2.gz HHQIMNNSSWTWBN-UHFFFAOYSA-N 0 0 317.776 3.783 10 5 DHBERN Cc1ccccc1[C@@H](C)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000151219043 332563236 /nfs/dbraw/zinc/56/32/36/332563236.db2.gz QCKFZTVFEKFJLH-CQSZACIVSA-N 0 0 312.369 3.713 10 5 DHBERN CCc1ccc([C@H]2CCCCN2c2ncc([N+](=O)[O-])s2)o1 ZINC000192464275 336036500 /nfs/dbraw/zinc/03/65/00/336036500.db2.gz YCDOKYUPGCRQPS-LLVKDONJSA-N 0 0 307.375 3.938 10 5 DHBERN Cc1cc([N+](=O)[O-])cnc1N[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000301365997 336302636 /nfs/dbraw/zinc/30/26/36/336302636.db2.gz QYAZCIGXYIZLOP-KBPBESRZSA-N 0 0 303.749 3.920 10 5 DHBERN Cc1cc([N+](=O)[O-])cnc1N[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000301365998 336302675 /nfs/dbraw/zinc/30/26/75/336302675.db2.gz QYAZCIGXYIZLOP-KGLIPLIRSA-N 0 0 303.749 3.920 10 5 DHBERN Cc1cnc(CCNc2cc(C)c([N+](=O)[O-])cc2Cl)s1 ZINC000301483861 336309655 /nfs/dbraw/zinc/30/96/55/336309655.db2.gz UUCASXXXZXDARL-UHFFFAOYSA-N 0 0 311.794 3.976 10 5 DHBERN Cc1cc(N2CC[C@@H](C)[C@H]2C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301498141 336310427 /nfs/dbraw/zinc/31/04/27/336310427.db2.gz VKUCVMLBVQRCPA-DGCLKSJQSA-N 0 0 312.373 3.595 10 5 DHBERN O=[N+]([O-])c1ccc(N2CC[C@H]3CCCC[C@H]32)cc1OC(F)F ZINC000301582707 336316351 /nfs/dbraw/zinc/31/63/51/336316351.db2.gz QEJOCONHMJDOHI-ZYHUDNBSSA-N 0 0 312.316 3.965 10 5 DHBERN Cn1c(CNc2ccc(F)cc2[N+](=O)[O-])cc(Cl)c1Cl ZINC000301623701 336318855 /nfs/dbraw/zinc/31/88/55/336318855.db2.gz GIHQSNZBQPZMSQ-UHFFFAOYSA-N 0 0 318.135 3.991 10 5 DHBERN CCOC(=O)c1cc(N2CC[C@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000301634437 336319601 /nfs/dbraw/zinc/31/96/01/336319601.db2.gz VTPRUVVUOOWWBT-DOMZBBRYSA-N 0 0 318.373 3.540 10 5 DHBERN O=[N+]([O-])c1ccc(NC[C@@H]2C[C@]23CCCc2ccccc23)nc1 ZINC000301664732 336321862 /nfs/dbraw/zinc/32/18/62/336321862.db2.gz WCWGQMIBYZGRHV-KBXCAEBGSA-N 0 0 309.369 3.696 10 5 DHBERN Cc1ccc([C@@H](C)CNc2cc(CO)ccc2[N+](=O)[O-])cc1 ZINC000302014454 336343246 /nfs/dbraw/zinc/34/32/46/336343246.db2.gz BMSDHQGTZZCQSA-ZDUSSCGKSA-N 0 0 300.358 3.611 10 5 DHBERN C[C@H](CNc1cc(CO)ccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000302017600 336343350 /nfs/dbraw/zinc/34/33/50/336343350.db2.gz CUOIFMDYIJFBCJ-SNVBAGLBSA-N 0 0 322.311 3.581 10 5 DHBERN CC(C)Cc1ccc([C@@H](C)Nc2ncc([N+](=O)[O-])cn2)cc1 ZINC000302165867 336351881 /nfs/dbraw/zinc/35/18/81/336351881.db2.gz RGOAWDMASCNPPA-GFCCVEGCSA-N 0 0 300.362 3.756 10 5 DHBERN O=[N+]([O-])c1cc(F)ccc1Oc1ncnc2c(F)cccc12 ZINC000302877090 336372772 /nfs/dbraw/zinc/37/27/72/336372772.db2.gz FWZJCTROCAXCDI-UHFFFAOYSA-N 0 0 303.224 3.609 10 5 DHBERN O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[C@H]2CCCC[C@H]21 ZINC000162596159 338641016 /nfs/dbraw/zinc/64/10/16/338641016.db2.gz QBMBJQGJYMOSJY-ZWNOBZJWSA-N 0 0 308.765 3.653 10 5 DHBERN CC[C@@H](NC(=O)CCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000177811219 340443839 /nfs/dbraw/zinc/44/38/39/340443839.db2.gz ADKLZRFGIAZPMK-QGZVFWFLSA-N 0 0 312.369 3.795 10 5 DHBERN CCc1cnc([C@@H](C)Nc2ncc(Cl)cc2[N+](=O)[O-])s1 ZINC000135359540 341238085 /nfs/dbraw/zinc/23/80/85/341238085.db2.gz NGJOJCSLCMRSEB-SSDOTTSWSA-N 0 0 312.782 3.835 10 5 DHBERN CCOc1ccc2nc3ccc(Br)cc3nc2c1 ZINC000072206778 521307669 /nfs/dbraw/zinc/30/76/69/521307669.db2.gz ALCNGTXPYVQQLI-UHFFFAOYSA-N 0 0 303.159 3.944 10 5 DHBERN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@H]2CCCC[C@H]21 ZINC000152774550 526714049 /nfs/dbraw/zinc/71/40/49/526714049.db2.gz ZHTBDZXCRFHUAQ-ZWNOBZJWSA-N 0 0 308.765 3.653 10 5 DHBERN Cc1cccc(NC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000048520911 563698472 /nfs/dbraw/zinc/69/84/72/563698472.db2.gz RQKDCVFCSKTHRQ-UHFFFAOYSA-N 0 0 306.709 3.596 10 5 DHBERN Cc1ccc2c(Cl)c([N+](=O)[O-])cnc2c1Br ZINC000165883327 563421014 /nfs/dbraw/zinc/42/10/14/563421014.db2.gz YGHRFGRWBVKBBE-UHFFFAOYSA-N 0 0 301.527 3.867 10 5 DHBERN COc1ccc2cc3c4c(cc(OC)c(OC)c4c2c1)C(=O)N3 ZINC000014779351 563556686 /nfs/dbraw/zinc/55/66/86/563556686.db2.gz OQKGOEOSXXHWFQ-UHFFFAOYSA-N 0 0 309.321 3.585 10 5 biogenic DHBERN COc1cccc2occ(/C=C/c3ccc([N+](=O)[O-])cc3)c(=O)c12 ZINC000090554936 185303220 /nfs/dbraw/zinc/30/32/20/185303220.db2.gz AYOUWVKODHZEML-VMPITWQZSA-N 0 0 323.304 3.880 10 5 DHBERN Cc1cccc(NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])c1C ZINC000008072715 190630614 /nfs/dbraw/zinc/63/06/14/190630614.db2.gz OVCNLGDFFIXAGG-CYBMUJFWSA-N 0 0 314.341 3.618 10 5 DHBERN Cn1c(-c2cccc([N+](=O)[O-])c2)cn2cc(-c3ccccc3)nc12 ZINC000004678249 181135235 /nfs/dbraw/zinc/13/52/35/181135235.db2.gz OKSJCVRRWDNNPQ-UHFFFAOYSA-N 0 0 318.336 3.915 10 5 DHBERN C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC[C@@H]1C ZINC000004680585 181135699 /nfs/dbraw/zinc/13/56/99/181135699.db2.gz ZKBASTWKARGWAQ-IMSIIYSGSA-N 0 0 310.781 3.803 10 5 DHBERN CCOc1cccc(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000005874646 181292590 /nfs/dbraw/zinc/29/25/90/181292590.db2.gz GZAQYSTWANCBFL-UHFFFAOYSA-N 0 0 320.732 3.899 10 5 DHBERN CC[C@H](Oc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000006048892 181308017 /nfs/dbraw/zinc/30/80/17/181308017.db2.gz GVYWCMRMZUGXQM-INIZCTEOSA-N 0 0 314.341 3.699 10 5 DHBERN Cc1cc([N+](=O)[O-])ccc1-c1nc2ccc(Cl)cc2c(=O)o1 ZINC000006189164 181318186 /nfs/dbraw/zinc/31/81/86/181318186.db2.gz RATAMGGKKRVDKW-UHFFFAOYSA-N 0 0 316.700 3.725 10 5 DHBERN CCO[C@@H]1Oc2c(Br)cc([N+](=O)[O-])cc2C=C1C ZINC000211673518 201441261 /nfs/dbraw/zinc/44/12/61/201441261.db2.gz LUGBXVKOGKXDRN-GFCCVEGCSA-N 0 0 314.135 3.516 10 5 DHBERN CN(Cc1cccc(Cl)c1)c1ccc(C=O)cc1[N+](=O)[O-] ZINC000008052214 181522595 /nfs/dbraw/zinc/52/25/95/181522595.db2.gz MXKWWVCCKZTQSN-UHFFFAOYSA-N 0 0 304.733 3.697 10 5 DHBERN CCc1ccc(O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000008106216 181526867 /nfs/dbraw/zinc/52/68/67/181526867.db2.gz GREDNTDOZCGYQN-GFCCVEGCSA-N 0 0 314.341 3.563 10 5 DHBERN C[C@H]1[C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCC[C@@H]1C ZINC000021516560 182277096 /nfs/dbraw/zinc/27/70/96/182277096.db2.gz FRVGPTZUBVZICC-OPQQBVKSSA-N 0 0 310.781 3.803 10 5 DHBERN O=C1C[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc21 ZINC000033814968 182722874 /nfs/dbraw/zinc/72/28/74/182722874.db2.gz ULAYFLFPORCMDJ-HNNXBMFYSA-N 0 0 303.701 3.955 10 5 DHBERN CCC(CC)NC(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 ZINC000037247289 182876037 /nfs/dbraw/zinc/87/60/37/182876037.db2.gz YKZKCNJJFYAZIE-UHFFFAOYSA-N 0 0 305.161 3.820 10 5 DHBERN O=[N+]([O-])c1c(Cl)ncnc1Nc1cccc2ccccc21 ZINC000040571271 183104533 /nfs/dbraw/zinc/10/45/33/183104533.db2.gz GBGOXXSVILVOOG-UHFFFAOYSA-N 0 0 300.705 3.935 10 5 DHBERN Cc1c(Cl)cccc1Nc1ncnc(OC(C)C)c1[N+](=O)[O-] ZINC000040588534 183105990 /nfs/dbraw/zinc/10/59/90/183105990.db2.gz IYABLJJAHLFVBM-UHFFFAOYSA-N 0 0 322.752 3.877 10 5 DHBERN CCNc1ncnc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000040596081 183106672 /nfs/dbraw/zinc/10/66/72/183106672.db2.gz CCRQIXXVQVXFSX-UHFFFAOYSA-N 0 0 310.766 3.621 10 5 DHBERN CCNc1ncnc(Oc2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000040596114 183106692 /nfs/dbraw/zinc/10/66/92/183106692.db2.gz YKVRWBQCLBDHOT-UHFFFAOYSA-N 0 0 302.334 3.732 10 5 DHBERN Cc1ccc(Oc2ncnc(Cl)c2[N+](=O)[O-])c(Cl)c1 ZINC000054351015 183935930 /nfs/dbraw/zinc/93/59/30/183935930.db2.gz GHHGLFOAHCOUBP-UHFFFAOYSA-N 0 0 300.101 3.792 10 5 DHBERN Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000057464715 184039459 /nfs/dbraw/zinc/03/94/59/184039459.db2.gz DJEPKCJJYCFDQV-VIFPVBQESA-N 0 0 308.721 3.641 10 5 DHBERN O=[N+]([O-])c1ccc(C[C@H](O)c2cccc(Br)c2)cc1 ZINC000062140038 184208012 /nfs/dbraw/zinc/20/80/12/184208012.db2.gz YLPKCYIGMDHLKJ-AWEZNQCLSA-N 0 0 322.158 3.633 10 5 DHBERN Cc1ccc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000088233866 332048031 /nfs/dbraw/zinc/04/80/31/332048031.db2.gz JZBHPCTURACKRV-LLVKDONJSA-N 0 0 302.305 3.533 10 5 DHBERN COc1ccc(OC)c([C@H](C)NCc2csc([N+](=O)[O-])c2)c1 ZINC000123477489 333468815 /nfs/dbraw/zinc/46/88/15/333468815.db2.gz USZCHXWIMYEZTE-JTQLQIEISA-N 0 0 322.386 3.524 10 5 DHBERN O=[N+]([O-])c1ccc(Nc2ccn(Cc3ccccc3)n2)c(F)c1 ZINC000301161916 336292617 /nfs/dbraw/zinc/29/26/17/336292617.db2.gz PPNMZEVPWMUENG-UHFFFAOYSA-N 0 0 312.304 3.722 10 5 DHBERN CC(C)(C)[C@@H]1OCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000301277022 336298281 /nfs/dbraw/zinc/29/82/81/336298281.db2.gz MJLRHCGPIBXDGX-BXKDBHETSA-N 0 0 313.785 3.506 10 5 DHBERN O=[N+]([O-])c1ccc(NC[C@H](O)C2CCCC2)c(C(F)(F)F)c1 ZINC000301302003 336299919 /nfs/dbraw/zinc/29/99/19/336299919.db2.gz VTOLVZJAVHAIHE-ZDUSSCGKSA-N 0 0 318.295 3.577 10 5 DHBERN Cc1ccc([C@@H]2C[C@H](C)CCN2c2ccc([N+](=O)[O-])cn2)o1 ZINC000301444292 336307179 /nfs/dbraw/zinc/30/71/79/336307179.db2.gz NLTNTMMMCSVKPO-RISCZKNCSA-N 0 0 301.346 3.869 10 5 DHBERN C[C@@H](Cc1ccsc1)N(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301483927 336309667 /nfs/dbraw/zinc/30/96/67/336309667.db2.gz GIGARQBGACQJEX-JTQLQIEISA-N 0 0 321.358 3.632 10 5 DHBERN C[C@H](Cc1ccsc1)N(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301483929 336309734 /nfs/dbraw/zinc/30/97/34/336309734.db2.gz GIGARQBGACQJEX-SNVBAGLBSA-N 0 0 321.358 3.632 10 5 DHBERN CO[C@@H](C)c1nc(CN(C)c2ccc([N+](=O)[O-])cc2C)cs1 ZINC000301551331 336314279 /nfs/dbraw/zinc/31/42/79/336314279.db2.gz MGRXJWFPTSKYBF-NSHDSACASA-N 0 0 321.402 3.704 10 5 DHBERN O=[N+]([O-])c1ccc(NCCc2ccc(Br)o2)cc1 ZINC000301712386 336325018 /nfs/dbraw/zinc/32/50/18/336325018.db2.gz VRHBARFKMZFJSK-UHFFFAOYSA-N 0 0 311.135 3.605 10 5 DHBERN CO[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000301808096 336331418 /nfs/dbraw/zinc/33/14/18/336331418.db2.gz YYWIWTUBCIEMHF-NWDGAFQWSA-N 0 0 301.346 3.513 10 5 DHBERN CCc1cc(N[C@H](CC)c2cccc([N+](=O)[O-])c2)nc(C)n1 ZINC000302079927 336347578 /nfs/dbraw/zinc/34/75/78/336347578.db2.gz ISDSOKBIMOWTTN-OAHLLOKOSA-N 0 0 300.362 3.819 10 5 DHBERN Cc1cccc(N[C@H]2CCOc3c(F)cccc32)c1[N+](=O)[O-] ZINC000302699143 336365502 /nfs/dbraw/zinc/36/55/02/336365502.db2.gz WYJHOPXGBYAEQJ-ZDUSSCGKSA-N 0 0 302.305 3.978 10 5 DHBERN O=[N+]([O-])c1ccc2c(ccn2-c2cc(C(F)(F)F)ccn2)c1 ZINC000584618498 337373241 /nfs/dbraw/zinc/37/32/41/337373241.db2.gz UAUQCBVDZNAPEH-UHFFFAOYSA-N 0 0 307.231 3.953 10 5 DHBERN CC(C)OC(=O)[C@H](c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000584654044 337377707 /nfs/dbraw/zinc/37/77/07/337377707.db2.gz KEFHMYOZRHVHMP-MRXNPFEDSA-N 0 0 317.316 3.817 10 5 DHBERN CC(C)OC(=O)[C@@H](c1ccccc1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000584654038 337377798 /nfs/dbraw/zinc/37/77/98/337377798.db2.gz KBXFOTOQWLHNQZ-INIZCTEOSA-N 0 0 317.316 3.817 10 5 DHBERN O=c1c2ccccc2ccc2ccc([S@](=O)C(F)(F)F)cc21 ZINC000584638080 337379485 /nfs/dbraw/zinc/37/94/85/337379485.db2.gz NZBPRAWKLQGFFZ-QFIPXVFZSA-N 0 0 322.307 3.981 10 5 DHBERN Cc1nc2ccccc2nc1CNc1cccc([N+](=O)[O-])c1C ZINC000171406647 341777359 /nfs/dbraw/zinc/77/73/59/341777359.db2.gz JJEXUVUKOVOWAF-UHFFFAOYSA-N 0 0 308.341 3.767 10 5 DHBERN Cc1cc(NC(=O)N2CCC[C@@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000153759275 525177669 /nfs/dbraw/zinc/17/76/69/525177669.db2.gz XORLCMVZYZSZRZ-CQSZACIVSA-N 0 0 315.329 3.865 10 5 DHBERN COc1cc2ccc3c(ccc(O)c3OC)c2c(OC)c1OC ZINC000014650680 560223879 /nfs/dbraw/zinc/22/38/79/560223879.db2.gz JILKBZSAOHQOQD-UHFFFAOYSA-N 0 0 314.337 3.733 10 5 biogenic,in-vitro DHBERN CC[C@H](NC(=O)NCc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000090073680 185280560 /nfs/dbraw/zinc/28/05/60/185280560.db2.gz FILRASLPCWGYCN-AWEZNQCLSA-N 0 0 319.386 3.607 10 5 DHBERN O=[N+]([O-])c1c(NC2CCCC2)ncnc1NC1CCCCCC1 ZINC000040661127 190666248 /nfs/dbraw/zinc/66/62/48/190666248.db2.gz GMCNWGJWGAYFOL-UHFFFAOYSA-N 0 0 319.409 3.874 10 5 DHBERN O=C(NC(Cl)=C(Cl)Cl)Nc1ccc([N+](=O)[O-])cc1 ZINC000004277453 181091347 /nfs/dbraw/zinc/09/13/47/181091347.db2.gz VKOFRYUZWNDNSF-UHFFFAOYSA-N 0 0 310.524 3.559 10 5 DHBERN O=C(/C=C/c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000005369281 181235420 /nfs/dbraw/zinc/23/54/20/181235420.db2.gz DARYJVLAWZANHJ-RMKNXTFCSA-N 0 0 302.717 3.900 10 5 DHBERN CC(C)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000005413631 181239950 /nfs/dbraw/zinc/23/99/50/181239950.db2.gz QOLRLMBSTVGDQW-UHFFFAOYSA-N 0 0 310.309 3.519 10 5 DHBERN O=[N+]([O-])c1cccc(CSc2ccc(-c3ccncc3)nn2)c1 ZINC000005442367 181243687 /nfs/dbraw/zinc/24/36/87/181243687.db2.gz WUXLWXBQNXVUKI-UHFFFAOYSA-N 0 0 324.365 3.739 10 5 DHBERN COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000005720458 181276187 /nfs/dbraw/zinc/27/61/87/181276187.db2.gz GDDCWUQMZRFSGI-UHFFFAOYSA-N 0 0 306.705 3.509 10 5 DHBERN Cc1ccc(C(=O)n2cnc3cc(C)c(C)cc32)cc1[N+](=O)[O-] ZINC000005942738 181299316 /nfs/dbraw/zinc/29/93/16/181299316.db2.gz GXCUGCSRMGDRDD-UHFFFAOYSA-N 0 0 309.325 3.558 10 5 DHBERN Cc1cccc(C(=O)N(Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000006302687 181327936 /nfs/dbraw/zinc/32/79/36/181327936.db2.gz QYJPRVDTVHTKDA-UHFFFAOYSA-N 0 0 312.369 3.954 10 5 DHBERN Cc1cccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000006614510 181361773 /nfs/dbraw/zinc/36/17/73/181361773.db2.gz DWONKENMQBEIPS-UHFFFAOYSA-N 0 0 323.308 3.811 10 5 DHBERN Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000021839462 182295083 /nfs/dbraw/zinc/29/50/83/182295083.db2.gz GEJOAQCJTOWCNO-SECBINFHSA-N 0 0 308.721 3.641 10 5 DHBERN Cc1ccc(Nc2ncnc(NC3CCCC3)c2[N+](=O)[O-])cc1 ZINC000040649010 183114082 /nfs/dbraw/zinc/11/40/82/183114082.db2.gz DYWQXJBVGPNVJK-UHFFFAOYSA-N 0 0 313.361 3.791 10 5 DHBERN CCc1ccccc1Nc1ncnc(NC(C)(C)C)c1[N+](=O)[O-] ZINC000040581489 183104902 /nfs/dbraw/zinc/10/49/02/183104902.db2.gz TXPNRTRYFROHJJ-UHFFFAOYSA-N 0 0 315.377 3.901 10 5 DHBERN Cc1ccc(Sc2ncnc(NC(C)C)c2[N+](=O)[O-])cc1 ZINC000040597576 183107099 /nfs/dbraw/zinc/10/70/99/183107099.db2.gz NEHBUOQTYSFLOQ-UHFFFAOYSA-N 0 0 304.375 3.665 10 5 DHBERN Cc1ccc(Nc2ncnc(OC(C)C)c2[N+](=O)[O-])c(C)c1 ZINC000040621229 183109382 /nfs/dbraw/zinc/10/93/82/183109382.db2.gz FUFLZYZJJMNXLZ-UHFFFAOYSA-N 0 0 302.334 3.532 10 5 DHBERN Cc1ccc(Nc2ncnc(Nc3cccnc3)c2[N+](=O)[O-])cc1 ZINC000040628301 183110991 /nfs/dbraw/zinc/11/09/91/183110991.db2.gz QQKKFAWXMQDFPG-UHFFFAOYSA-N 0 0 322.328 3.575 10 5 DHBERN CC[C@@H]1C[C@@H](C(=O)O[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000181001315 333166857 /nfs/dbraw/zinc/16/68/57/333166857.db2.gz BKOCBLGSIVHWEI-AEGPPILISA-N 0 0 321.373 3.713 10 5 DHBERN COc1ccc(Sc2ccc([N+](=O)[O-])cc2F)cc1OC ZINC000301345170 336301769 /nfs/dbraw/zinc/30/17/69/336301769.db2.gz JMQFQCBJCLRRQR-UHFFFAOYSA-N 0 0 309.318 3.902 10 5 DHBERN COCC[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000301636666 336319778 /nfs/dbraw/zinc/31/97/78/336319778.db2.gz LANLVBXJCVQURH-CYBMUJFWSA-N 0 0 321.764 3.833 10 5 DHBERN CO[C@H]1CCC[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000301778438 336329174 /nfs/dbraw/zinc/32/91/74/336329174.db2.gz MHIGJVBRZJAVID-OCCSQVGLSA-N 0 0 301.346 3.513 10 5 DHBERN CO[C@@H]1CCC[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000301778436 336329194 /nfs/dbraw/zinc/32/91/94/336329194.db2.gz MHIGJVBRZJAVID-GXTWGEPZSA-N 0 0 301.346 3.513 10 5 DHBERN Cc1ccc(CN(C)c2ncc([N+](=O)[O-])cc2Cl)cc1F ZINC000302703831 336365729 /nfs/dbraw/zinc/36/57/29/336365729.db2.gz IVIZHNPMAQVCNR-UHFFFAOYSA-N 0 0 309.728 3.727 10 5 DHBERN O=[N+]([O-])c1ccc(F)cc1NCc1cccc(OC(F)F)c1 ZINC000302794220 336369323 /nfs/dbraw/zinc/36/93/23/336369323.db2.gz IDFJOVOMKVPDBW-UHFFFAOYSA-N 0 0 312.247 3.947 10 5 DHBERN CCOC(=O)c1ccc(CNc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000302822028 336370547 /nfs/dbraw/zinc/37/05/47/336370547.db2.gz RXTOYVYJZHLPAI-UHFFFAOYSA-N 0 0 318.304 3.523 10 5 DHBERN Cc1nn(C)c(C)c1[C@H]1CCCN1c1ccc([N+](=O)[O-])c(C)c1 ZINC000108951331 336394796 /nfs/dbraw/zinc/39/47/96/336394796.db2.gz SVACUSGFKBMIHX-MRXNPFEDSA-N 0 0 314.389 3.595 10 5 DHBERN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)F)c(Cl)nn2)c1 ZINC000536961219 337868835 /nfs/dbraw/zinc/86/88/35/337868835.db2.gz YIFYBEAXJQUXLJ-UHFFFAOYSA-N 0 0 303.627 3.724 10 5 DHBERN CC[C@@H](NC(=O)[C@@H](C)OCCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000177783138 340443427 /nfs/dbraw/zinc/44/34/27/340443427.db2.gz WCYGXBFYGJCRMZ-CZUORRHYSA-N 0 0 322.405 3.613 10 5 DHBERN Cc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1F ZINC000088253031 340459642 /nfs/dbraw/zinc/45/96/42/340459642.db2.gz AUSRDVLWVCAQKB-SNVBAGLBSA-N 0 0 320.295 3.672 10 5 DHBERN CN(C(=O)[C@@H]1C[C@@H]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000132222985 341118647 /nfs/dbraw/zinc/11/86/47/341118647.db2.gz KAYGSSLBASLOOJ-HZPDHXFCSA-N 0 0 302.374 3.774 10 5 DHBERN Cc1ccc([C@@H](C)NC(=O)c2c(Cl)cccc2[N+](=O)[O-])o1 ZINC000136417295 341258911 /nfs/dbraw/zinc/25/89/11/341258911.db2.gz PJEYSDFFWKJTDT-SECBINFHSA-N 0 0 308.721 3.641 10 5 DHBERN CC[C@H](NC(=O)N1CC[C@H](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000245869796 341316773 /nfs/dbraw/zinc/31/67/73/341316773.db2.gz GQLBZJPHUVXINM-XEZPLFJOSA-N 0 0 319.405 3.733 10 5 DHBERN O=C(N[C@H]1CCCc2cc(F)ccc21)c1ccccc1[N+](=O)[O-] ZINC000157675423 341643561 /nfs/dbraw/zinc/64/35/61/341643561.db2.gz WFROEFOROSYCGM-HNNXBMFYSA-N 0 0 314.316 3.541 10 5 DHBERN CCn1c2ccccc2nc1[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000237219753 523291089 /nfs/dbraw/zinc/29/10/89/523291089.db2.gz YBLDRAIQEZIPSS-CYBMUJFWSA-N 0 0 324.384 3.815 10 5 DHBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CCc1ccc(F)cc1 ZINC000048545864 563924014 /nfs/dbraw/zinc/92/40/14/563924014.db2.gz MPMDKIQXUVFVCA-UHFFFAOYSA-N 0 0 302.305 3.614 10 5 DHBERN C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)c1ccc(Cl)cc1 ZINC000005109166 181204345 /nfs/dbraw/zinc/20/43/45/181204345.db2.gz ZSVLJMZBTGZQHJ-SNVBAGLBSA-N 0 0 305.717 3.898 10 5 DHBERN CCOC(=O)[C@H](C)n1c2ccccc2c2nc3ccccc3nc21 ZINC000005508838 181251472 /nfs/dbraw/zinc/25/14/72/181251472.db2.gz DOXOKCDZVVOMSI-LBPRGKRZSA-N 0 0 319.364 3.862 10 5 DHBERN CCOc1ccccc1C(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000005654505 181268217 /nfs/dbraw/zinc/26/82/17/181268217.db2.gz LBBJRSBXIDNXJO-UHFFFAOYSA-N 0 0 300.314 3.554 10 5 DHBERN COc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000005750030 181280230 /nfs/dbraw/zinc/28/02/30/181280230.db2.gz NBRHXEJVTBFAOM-BJMVGYQFSA-N 0 0 312.325 3.564 10 5 DHBERN O=C(N=c1[nH]c2ccc([N+](=O)[O-])cc2s1)Oc1ccccc1 ZINC000005873776 181292744 /nfs/dbraw/zinc/29/27/44/181292744.db2.gz JNVAWQBACDYBEH-UHFFFAOYSA-N 0 0 315.310 3.815 10 5 DHBERN O=C(/C=C/c1cccc(Cl)c1)Nc1ccccc1[N+](=O)[O-] ZINC000006336785 181331466 /nfs/dbraw/zinc/33/14/66/181331466.db2.gz MVHKAPKBSXYHFT-CMDGGOBGSA-N 0 0 302.717 3.900 10 5 DHBERN CCOc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000021125471 182266257 /nfs/dbraw/zinc/26/62/57/182266257.db2.gz HUHXBZAILXCATF-UHFFFAOYSA-N 0 0 320.732 3.899 10 5 DHBERN CC(C)(C)Nc1ncnc(Nc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000040581718 183105280 /nfs/dbraw/zinc/10/52/80/183105280.db2.gz GAEODNCSJZCEAJ-UHFFFAOYSA-N 0 0 321.768 3.992 10 5 DHBERN CCCCNc1ncnc(N(CC(C)C)CC(C)C)c1[N+](=O)[O-] ZINC000040595031 183106601 /nfs/dbraw/zinc/10/66/01/183106601.db2.gz RLRZGJQVTIJUCJ-UHFFFAOYSA-N 0 0 323.441 3.715 10 5 DHBERN Cc1ccc(Nc2ncnc(NC(C)C)c2[N+](=O)[O-])c(C)c1 ZINC000040597408 183107107 /nfs/dbraw/zinc/10/71/07/183107107.db2.gz OBZKTHHSPGZOHI-UHFFFAOYSA-N 0 0 301.350 3.566 10 5 DHBERN CC(C)=CC(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000040868772 183145616 /nfs/dbraw/zinc/14/56/16/183145616.db2.gz YMVWGXKEDNRQPT-UHFFFAOYSA-N 0 0 303.343 3.623 10 5 DHBERN CN(c1ccccc1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000041541179 183200882 /nfs/dbraw/zinc/20/08/82/183200882.db2.gz XPOQLCWEXWIBKO-UHFFFAOYSA-N 0 0 308.135 3.520 10 5 DHBERN Cc1ccc([C@H]2CCCCN2c2cc(C)c([N+](=O)[O-])cn2)o1 ZINC000301432393 336306408 /nfs/dbraw/zinc/30/64/08/336306408.db2.gz KLOWKBITHKAJKW-CYBMUJFWSA-N 0 0 301.346 3.931 10 5 DHBERN Cc1ccc(NC[C@H](O)c2ccc(Cl)s2)c([N+](=O)[O-])c1 ZINC000301472874 336309015 /nfs/dbraw/zinc/30/90/15/336309015.db2.gz LGNKMSSSUYNJEW-NSHDSACASA-N 0 0 312.778 3.764 10 5 DHBERN C[C@H](Cc1cccs1)N(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301484914 336309859 /nfs/dbraw/zinc/30/98/59/336309859.db2.gz GVSQTDFMCFYQCY-SNVBAGLBSA-N 0 0 321.358 3.632 10 5 DHBERN CC(=O)c1ccc(N(C)[C@@H](C)Cc2ccsc2)c([N+](=O)[O-])c1 ZINC000301493580 336310107 /nfs/dbraw/zinc/31/01/07/336310107.db2.gz QVMLECSIRVPEPP-NSHDSACASA-N 0 0 318.398 3.926 10 5 DHBERN CCOC(=O)c1cc(N2CC[C@@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000301634441 336319638 /nfs/dbraw/zinc/31/96/38/336319638.db2.gz VTPRUVVUOOWWBT-SWLSCSKDSA-N 0 0 318.373 3.540 10 5 DHBERN Cn1c(Cl)c(Cl)cc1CNc1ccc([N+](=O)[O-])cc1 ZINC000301673319 336322587 /nfs/dbraw/zinc/32/25/87/336322587.db2.gz ZXWMOYMDEOVEKF-UHFFFAOYSA-N 0 0 300.145 3.852 10 5 DHBERN CO[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000301785129 336329621 /nfs/dbraw/zinc/32/96/21/336329621.db2.gz PAZFLYOZEWUUPT-NWDGAFQWSA-N 0 0 301.346 3.513 10 5 DHBERN C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[C@@H]1CCCO1 ZINC000301885828 336336221 /nfs/dbraw/zinc/33/62/21/336336221.db2.gz PMRGJZPXEUTNAY-DOMZBBRYSA-N 0 0 313.357 3.636 10 5 DHBERN COC(=O)c1cc(Sc2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000301959045 336339990 /nfs/dbraw/zinc/33/99/90/336339990.db2.gz OZLPWYMUIHHSHM-UHFFFAOYSA-N 0 0 307.302 3.672 10 5 DHBERN CCc1csc([C@H]2CCCN(c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000301998902 336342359 /nfs/dbraw/zinc/34/23/59/336342359.db2.gz VHMCOMFFLCAYSX-LBPRGKRZSA-N 0 0 317.414 3.998 10 5 DHBERN Cc1ccc([C@@H]2CCCN2c2cc(CO)ccc2[N+](=O)[O-])s1 ZINC000302072049 336346859 /nfs/dbraw/zinc/34/68/59/336346859.db2.gz WCORGERFNNWDHW-AWEZNQCLSA-N 0 0 318.398 3.799 10 5 DHBERN O=[N+]([O-])c1ccc(F)cc1NCc1ccc(OCC2CC2)nc1 ZINC000302794292 336369313 /nfs/dbraw/zinc/36/93/13/336369313.db2.gz IJYCBRJTLWGEMA-UHFFFAOYSA-N 0 0 317.320 3.530 10 5 DHBERN O=[N+]([O-])c1ccc(F)cc1NC[C@@H](O)c1ccc(Cl)cc1 ZINC000302817550 336370436 /nfs/dbraw/zinc/37/04/36/336370436.db2.gz MQFXBPUXGRMFCW-CQSZACIVSA-N 0 0 310.712 3.533 10 5 DHBERN C[C@H]1CN(c2cc(F)ccc2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000302821438 336370603 /nfs/dbraw/zinc/37/06/03/336370603.db2.gz QNMPGUBSHDKZIW-YVEFUNNKSA-N 0 0 316.332 3.700 10 5 DHBERN C[C@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1cccs1 ZINC000193603899 337078570 /nfs/dbraw/zinc/07/85/70/337078570.db2.gz DOPVSVIIIDATEM-VIFPVBQESA-N 0 0 317.370 3.714 10 5 DHBERN C[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1cccc(Br)c1 ZINC000055476684 337848824 /nfs/dbraw/zinc/84/88/24/337848824.db2.gz BVUBTUWGWGHAPF-SECBINFHSA-N 0 0 322.162 3.925 10 5 DHBERN CC[C@@H](NC(=O)NCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000175185711 340404884 /nfs/dbraw/zinc/40/48/84/340404884.db2.gz AKKKVJCTQRENJT-MRXNPFEDSA-N 0 0 313.357 3.545 10 5 DHBERN CC[C@@H](NC(=O)N(C)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000176684350 340430151 /nfs/dbraw/zinc/43/01/51/340430151.db2.gz LMGNKEGGDXLTFT-MRXNPFEDSA-N 0 0 319.405 3.878 10 5 DHBERN CC[C@@H](NC(=O)N(CC(C)C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000176693490 340430344 /nfs/dbraw/zinc/43/03/44/340430344.db2.gz XUOLEXJVKPJZBS-MRXNPFEDSA-N 0 0 319.405 3.876 10 5 DHBERN CC[C@@H](NC(=O)c1cc(Cl)ccn1)c1cccc([N+](=O)[O-])c1 ZINC000177780418 340443381 /nfs/dbraw/zinc/44/33/81/340443381.db2.gz XZIONMQDMXTSKK-CYBMUJFWSA-N 0 0 319.748 3.524 10 5 DHBERN CC[C@@H](NC(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000177789955 340443516 /nfs/dbraw/zinc/44/35/16/340443516.db2.gz QWJANLMMAXLWIO-OAHLLOKOSA-N 0 0 302.305 3.615 10 5 DHBERN CC1(C)C[C@@H](NCc2ccccc2[N+](=O)[O-])c2ccccc2O1 ZINC000153044690 520523939 /nfs/dbraw/zinc/52/39/39/520523939.db2.gz VRNZUTFIJWVUKG-OAHLLOKOSA-N 0 0 312.369 3.987 10 5 DHBERN CCCCc1noc(CN[C@H](CC)c2cccc([N+](=O)[O-])c2)n1 ZINC000181525320 521337255 /nfs/dbraw/zinc/33/72/55/521337255.db2.gz NJGUVGJPUYANIE-CQSZACIVSA-N 0 0 318.377 3.561 10 5 DHBERN Cc1cccc([N+](=O)[O-])c1N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000153325094 524909581 /nfs/dbraw/zinc/90/95/81/524909581.db2.gz UAQVDTZVMRRWFS-CYBMUJFWSA-N 0 0 323.356 3.657 10 5 DHBERN O=[N+]([O-])c1cnc2c(F)ccc(Br)c2c1Cl ZINC000165874881 563420589 /nfs/dbraw/zinc/42/05/89/563420589.db2.gz IGWRRHMLVURNJW-UHFFFAOYSA-N 0 0 305.490 3.698 10 5 DHBERN COC(=O)/C=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000226257134 563913166 /nfs/dbraw/zinc/91/31/66/563913166.db2.gz LUUJGOHSPUIROZ-QPJJXVBHSA-N 0 0 307.689 3.694 10 5 DHBERN COc1cc(OC)cc(-c2nc3cc([N+](=O)[O-])cc(C)c3o2)c1 ZINC000226247722 201769064 /nfs/dbraw/zinc/76/90/64/201769064.db2.gz NHKZSSUBAZHTSC-UHFFFAOYSA-N 0 0 314.297 3.729 10 5 DHBERN O=[N+]([O-])c1cccc([C@@H](O)c2ccc3c4c(cccc42)CC3)c1 ZINC000226295721 201773984 /nfs/dbraw/zinc/77/39/84/201773984.db2.gz VOPFQSCEWWLEMK-LJQANCHMSA-N 0 0 305.333 3.928 10 5 DHBERN O=[N+]([O-])c1cccc(-c2ccnc(N3CCc4ccccc43)n2)c1 ZINC000072443429 191168080 /nfs/dbraw/zinc/16/80/80/191168080.db2.gz JRNMALMXZAXMDK-UHFFFAOYSA-N 0 0 318.336 3.746 10 5 DHBERN O=C(c1ccc2c3ccccc3oc(=O)c2c1)N1CCCCC1 ZINC000003656374 181044344 /nfs/dbraw/zinc/04/43/44/181044344.db2.gz XARSXXIRUMKHSR-UHFFFAOYSA-N 0 0 307.349 3.572 10 5 DHBERN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000004680583 181135927 /nfs/dbraw/zinc/13/59/27/181135927.db2.gz ZKBASTWKARGWAQ-RBZYPMLTSA-N 0 0 310.781 3.803 10 5 DHBERN Cc1cccc(Nc2cc(Cl)c3nonc3c2[N+](=O)[O-])c1 ZINC000005337810 181231118 /nfs/dbraw/zinc/23/11/18/181231118.db2.gz MXYCXDGFIKDOOS-UHFFFAOYSA-N 0 0 304.693 3.836 10 5 DHBERN O=[N+]([O-])c1cccc(CSc2ccc(-c3ccccn3)nn2)c1 ZINC000005442323 181243720 /nfs/dbraw/zinc/24/37/20/181243720.db2.gz VYCADJUNIALVJK-UHFFFAOYSA-N 0 0 324.365 3.739 10 5 DHBERN O=[N+]([O-])c1ccc(Cl)c(NC(=S)NC2CCCCC2)c1 ZINC000006331228 181330832 /nfs/dbraw/zinc/33/08/32/181330832.db2.gz YSSRUIQUQSXDHK-UHFFFAOYSA-N 0 0 313.810 3.867 10 5 DHBERN CCc1ccc(NC(=S)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000006942637 181409708 /nfs/dbraw/zinc/40/97/08/181409708.db2.gz LVEBIKLWXPSDBL-UHFFFAOYSA-N 0 0 301.371 3.966 10 5 DHBERN O=C(Nc1ccccc1[N+](=O)[O-])c1cnc(Cl)c(Cl)c1 ZINC000019159195 182105868 /nfs/dbraw/zinc/10/58/68/182105868.db2.gz JWOOWLMNPFTYKG-UHFFFAOYSA-N 0 0 312.112 3.549 10 5 DHBERN Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000021839465 182294948 /nfs/dbraw/zinc/29/49/48/182294948.db2.gz GEJOAQCJTOWCNO-VIFPVBQESA-N 0 0 308.721 3.641 10 5 DHBERN COc1ccc(N[C@@H](CC(C)=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000036422404 182825599 /nfs/dbraw/zinc/82/55/99/182825599.db2.gz POQWYGCFIVVZJQ-KRWDZBQOSA-N 0 0 314.341 3.736 10 5 DHBERN CC(C)Oc1ncnc(Nc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000040648642 183113959 /nfs/dbraw/zinc/11/39/59/183113959.db2.gz HOBOBCMMWFDEEK-UHFFFAOYSA-N 0 0 308.725 3.569 10 5 DHBERN Cc1ccc(Sc2ncnc(OC(C)C)c2[N+](=O)[O-])cc1 ZINC000040650329 183114012 /nfs/dbraw/zinc/11/40/12/183114012.db2.gz ZRYNXFDILWHFJJ-UHFFFAOYSA-N 0 0 305.359 3.632 10 5 DHBERN O=[N+]([O-])c1c(Cl)ncnc1Nc1ccccc1C(F)(F)F ZINC000040571155 183103689 /nfs/dbraw/zinc/10/36/89/183103689.db2.gz SXJFXPMVLIGFPO-UHFFFAOYSA-N 0 0 318.642 3.801 10 5 DHBERN Cc1ccc2cccc(Oc3ncnc(Cl)c3[N+](=O)[O-])c2n1 ZINC000040571231 183104523 /nfs/dbraw/zinc/10/45/23/183104523.db2.gz INGOUGMRFOEPOF-UHFFFAOYSA-N 0 0 316.704 3.687 10 5 DHBERN CCCNc1ncnc(Nc2ccc(C)c(C)c2)c1[N+](=O)[O-] ZINC000040589912 183106299 /nfs/dbraw/zinc/10/62/99/183106299.db2.gz JIUAPIWZSJIMEL-UHFFFAOYSA-N 0 0 301.350 3.567 10 5 DHBERN CC(C)CCNc1ncnc(N(C)c2ccccc2)c1[N+](=O)[O-] ZINC000040625542 183110617 /nfs/dbraw/zinc/11/06/17/183110617.db2.gz PYXGZLLPFPDLCT-UHFFFAOYSA-N 0 0 315.377 3.611 10 5 DHBERN Cc1cc(C)nc(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000041005430 183156056 /nfs/dbraw/zinc/15/60/56/183156056.db2.gz OHSXLNLJDAPQIR-UHFFFAOYSA-N 0 0 305.721 3.512 10 5 DHBERN Cc1ccc2nccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2c1 ZINC000041057262 183160100 /nfs/dbraw/zinc/16/01/00/183160100.db2.gz GFUISQWGKGDHNJ-UHFFFAOYSA-N 0 0 307.309 3.704 10 5 DHBERN CC(C)C[C@H](C)N(C)c1ncc(Br)cc1[N+](=O)[O-] ZINC000042599753 183289600 /nfs/dbraw/zinc/28/96/00/183289600.db2.gz BQDNOQOVOZNSRW-VIFPVBQESA-N 0 0 316.199 3.623 10 5 DHBERN Cc1cc(Br)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000063063179 184269357 /nfs/dbraw/zinc/26/93/57/184269357.db2.gz LWYGYJSYSIHLEV-UHFFFAOYSA-N 0 0 309.119 3.853 10 5 DHBERN CCC1CCC(NC(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000161057538 332494211 /nfs/dbraw/zinc/49/42/11/332494211.db2.gz XAVUVERVKJYORJ-UHFFFAOYSA-N 0 0 304.390 3.531 10 5 DHBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@H](O)C1CCCC1 ZINC000301263626 336297465 /nfs/dbraw/zinc/29/74/65/336297465.db2.gz DPVVSPYGIIUBSQ-ZDUSSCGKSA-N 0 0 318.295 3.577 10 5 DHBERN Cc1ccc([C@@H]2C[C@@H](C)CCN2c2ccc([N+](=O)[O-])cn2)o1 ZINC000301444291 336307129 /nfs/dbraw/zinc/30/71/29/336307129.db2.gz NLTNTMMMCSVKPO-FZMZJTMJSA-N 0 0 301.346 3.869 10 5 DHBERN CCc1cnc([C@H](C)Nc2ccc(C(C)=O)cc2[N+](=O)[O-])s1 ZINC000301510225 336311454 /nfs/dbraw/zinc/31/14/54/336311454.db2.gz ANBIWDLZSVJLNC-VIFPVBQESA-N 0 0 319.386 3.989 10 5 DHBERN O=[N+]([O-])c1ccc(Br)cc1N1C[C@@H]2CCC[C@@H]2C1 ZINC000301663193 336321557 /nfs/dbraw/zinc/32/15/57/336321557.db2.gz KHTMCNDOMHZUHH-AOOOYVTPSA-N 0 0 311.179 3.594 10 5 DHBERN O=[N+]([O-])c1ccc(Br)cc1N1C[C@H]2CCC[C@@H]2C1 ZINC000301663194 336321585 /nfs/dbraw/zinc/32/15/85/336321585.db2.gz KHTMCNDOMHZUHH-NXEZZACHSA-N 0 0 311.179 3.594 10 5 DHBERN Cc1nc(CNc2ccc([N+](=O)[O-])c3cccnc23)c(C)s1 ZINC000301824338 336332525 /nfs/dbraw/zinc/33/25/25/336332525.db2.gz CZGGOWYORVTHIT-UHFFFAOYSA-N 0 0 314.370 3.828 10 5 DHBERN CC(C)(C)Oc1cc(CNc2ccc(F)cc2[N+](=O)[O-])ccn1 ZINC000301923964 336338321 /nfs/dbraw/zinc/33/83/21/336338321.db2.gz KPCANSDRHZMCJW-UHFFFAOYSA-N 0 0 319.336 3.918 10 5 DHBERN O=[N+]([O-])c1ccc(CO)cc1N[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000302030313 336344147 /nfs/dbraw/zinc/34/41/47/336344147.db2.gz JREHCSQJFMMXRX-ZIAGYGMSSA-N 0 0 318.760 3.709 10 5 DHBERN O=[N+]([O-])c1ccc(CO)cc1NCC1(Cc2ccccc2)CC1 ZINC000302054451 336345882 /nfs/dbraw/zinc/34/58/82/336345882.db2.gz QDKXEQYJVVNFDZ-UHFFFAOYSA-N 0 0 312.369 3.522 10 5 DHBERN CC[C@@H](Nc1cncc(OC(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000302311218 336356995 /nfs/dbraw/zinc/35/69/95/336356995.db2.gz SMSGFYWEZLLYOO-CQSZACIVSA-N 0 0 316.361 3.735 10 5 DHBERN CCOc1cc(Oc2ccc3c(c2)CCC3=O)ccc1[N+](=O)[O-] ZINC000302521294 336360690 /nfs/dbraw/zinc/36/06/90/336360690.db2.gz IUMXQKVRRURCSO-UHFFFAOYSA-N 0 0 313.309 3.915 10 5 DHBERN C[C@@H]1CC(=O)Oc2cc(Oc3ccc([N+](=O)[O-])cc3F)ccc21 ZINC000302825175 336370834 /nfs/dbraw/zinc/37/08/34/336370834.db2.gz MEJVHCBRQFHNNB-SECBINFHSA-N 0 0 317.272 3.939 10 5 DHBERN O=[N+]([O-])c1ccc(F)cc1NCCCn1cnc2ccccc21 ZINC000302840790 336371622 /nfs/dbraw/zinc/37/16/22/336371622.db2.gz COWDAHKOLVBUBH-UHFFFAOYSA-N 0 0 314.320 3.586 10 5 DHBERN CCc1ccc(C(=O)N2CCC[C@@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000173432938 337135348 /nfs/dbraw/zinc/13/53/48/337135348.db2.gz ACZQASALUARGAK-CQSZACIVSA-N 0 0 314.341 3.728 10 5 DHBERN C[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)c1cncc(F)c1 ZINC000181896538 337185075 /nfs/dbraw/zinc/18/50/75/337185075.db2.gz AUYQHZCHISSSAA-VIFPVBQESA-N 0 0 309.728 3.633 10 5 DHBERN CC(C)OC(=O)[C@H](c1ccccc1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000584654042 337377674 /nfs/dbraw/zinc/37/76/74/337377674.db2.gz KBXFOTOQWLHNQZ-MRXNPFEDSA-N 0 0 317.316 3.817 10 5 DHBERN C[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000124651209 337406676 /nfs/dbraw/zinc/40/66/76/337406676.db2.gz KHZVQGOYMHCKOJ-SECBINFHSA-N 0 0 320.736 3.526 10 5 DHBERN Cc1ccc([C@H](C)NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1F ZINC000151072764 338158116 /nfs/dbraw/zinc/15/81/16/338158116.db2.gz GGSPPLHAAWCPTO-JTQLQIEISA-N 0 0 320.295 3.672 10 5 DHBERN Cc1ccc([C@@H](C)NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1F ZINC000151072719 338158127 /nfs/dbraw/zinc/15/81/27/338158127.db2.gz GGSPPLHAAWCPTO-SNVBAGLBSA-N 0 0 320.295 3.672 10 5 DHBERN CC[C@@H](NC(=O)CC[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000177784202 340443438 /nfs/dbraw/zinc/44/34/38/340443438.db2.gz RGYDUGUJDSCAQV-JKSUJKDBSA-N 0 0 320.389 3.511 10 5 DHBERN CC[C@@H](NC(=O)NCC1(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000078357752 341240912 /nfs/dbraw/zinc/24/09/12/341240912.db2.gz SWMLXEHTXKCTHJ-CQSZACIVSA-N 0 0 305.378 3.535 10 5 DHBERN CCOC(=O)c1cnc2c(Cl)cc([N+](=O)[O-])cc2c1Cl ZINC000026463226 521575575 /nfs/dbraw/zinc/57/55/75/521575575.db2.gz VWJGYONEURUOSG-UHFFFAOYSA-N 0 0 315.112 3.627 10 5 DHBERN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2CCCC[C@H]21 ZINC000111249111 526714666 /nfs/dbraw/zinc/71/46/66/526714666.db2.gz ZIZUDKPLWUEWRA-QMTHXVAHSA-N 0 0 308.765 3.653 10 5 DHBERN O=[N+]([O-])c1ccc(Br)c2nc(-c3ccccc3)[nH]c21 ZINC000584904573 563505294 /nfs/dbraw/zinc/50/52/94/563505294.db2.gz CTHORQRDXHOMKP-UHFFFAOYSA-N 0 0 318.130 3.901 10 5 DHBERN Cc1nc([N+](=O)[O-])cn1C[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000000143730 563572839 /nfs/dbraw/zinc/57/28/39/563572839.db2.gz YFIDUBCJLAEHEB-KRWDZBQOSA-N 0 0 323.352 3.500 10 5 DHBERN COC(=O)/C=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000226257496 563913216 /nfs/dbraw/zinc/91/32/16/563913216.db2.gz DJAZCOYSZCOZIW-QPJJXVBHSA-N 0 0 307.689 3.694 10 5 DHBERN Nc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 ZINC000048545059 563924037 /nfs/dbraw/zinc/92/40/37/563924037.db2.gz SNLNBGCCWYRTAQ-UHFFFAOYSA-N 0 0 311.348 3.909 10 5 DHBERN C[C@H]1CCC[C@H](CC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000088230814 1017313386 /nfs/dbraw/zinc/31/33/86/1017313386.db2.gz PQDAOKKJURYIET-KBPBESRZSA-N 0 0 316.401 3.696 10 5 DHBERN Cc1csc(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000091477447 1017721296 /nfs/dbraw/zinc/72/12/96/1017721296.db2.gz VISOWCQUOMXUSC-UHFFFAOYSA-N 0 0 303.387 3.744 10 5 DHBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000067026811 1025263334 /nfs/dbraw/zinc/26/33/34/1025263334.db2.gz HKXMLJHVLXOASN-XJKSGUPXSA-N 0 0 302.374 3.698 10 5 DHBERN O=[N+]([O-])c1ccc(SCc2ccc(F)cc2)c2nonc21 ZINC000096933897 185392657 /nfs/dbraw/zinc/39/26/57/185392657.db2.gz FMTOABVHURAUAU-UHFFFAOYSA-N 0 0 305.290 3.562 10 5 DHBERN Cc1cc(C)cc(NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])c1 ZINC000008072619 190630497 /nfs/dbraw/zinc/63/04/97/190630497.db2.gz GYLYHELXABVXID-CYBMUJFWSA-N 0 0 314.341 3.618 10 5 DHBERN COc1ccc([C@@H](O)c2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000226294391 201773264 /nfs/dbraw/zinc/77/32/64/201773264.db2.gz RLPDJFARUIVJST-GOSISDBHSA-N 0 0 309.321 3.838 10 5 DHBERN C[C@H](C[N+]1([O-])CCCC1)C(O)(c1ccccc1)c1ccccc1 ZINC000003607265 181039308 /nfs/dbraw/zinc/03/93/08/181039308.db2.gz JUIPBANTMPTUJL-QGZVFWFLSA-N 0 0 311.425 3.667 10 5 DHBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(Cl)(Cl)Cl ZINC000005670782 181270191 /nfs/dbraw/zinc/27/01/91/181270191.db2.gz GUOKCBOWVLHLKS-UHFFFAOYSA-N 0 0 317.943 3.557 10 5 DHBERN CCn1c(CO)nc(C(C)C)c1Sc1cccc([N+](=O)[O-])c1 ZINC000005887704 181293035 /nfs/dbraw/zinc/29/30/35/181293035.db2.gz LPVSRZWBDDAOOG-UHFFFAOYSA-N 0 0 321.402 3.578 10 5 DHBERN CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000014013389 181919761 /nfs/dbraw/zinc/91/97/61/181919761.db2.gz XSVXNNLDRVHUBY-INIZCTEOSA-N 0 0 314.341 3.699 10 5 DHBERN CCOc1ccccc1/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000019161549 182105759 /nfs/dbraw/zinc/10/57/59/182105759.db2.gz VUKUWQKJHFIZQP-KPKJPENVSA-N 0 0 312.325 3.645 10 5 DHBERN Cc1cc(C)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1C ZINC000021126134 182265822 /nfs/dbraw/zinc/26/58/22/182265822.db2.gz JBBSDSUBVHGDFY-UHFFFAOYSA-N 0 0 314.341 3.538 10 5 DHBERN Cc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000021839628 182294952 /nfs/dbraw/zinc/29/49/52/182294952.db2.gz KRQXGYVTKODZMV-VIFPVBQESA-N 0 0 308.721 3.641 10 5 DHBERN O=[N+]([O-])c1ccc(-c2cn3cc(C(F)(F)F)ccc3n2)cc1 ZINC000039325712 183017524 /nfs/dbraw/zinc/01/75/24/183017524.db2.gz LXAVMQYMEPWKLH-UHFFFAOYSA-N 0 0 307.231 3.928 10 5 DHBERN CCc1ccc(Oc2ncnc(OC(C)C)c2[N+](=O)[O-])cc1 ZINC000040659692 183114992 /nfs/dbraw/zinc/11/49/92/183114992.db2.gz UCQZCRAGQMKJGP-UHFFFAOYSA-N 0 0 303.318 3.527 10 5 DHBERN O=[N+]([O-])c1c(Cl)ncnc1Nc1ccc(C(F)(F)F)cc1 ZINC000040571520 183104660 /nfs/dbraw/zinc/10/46/60/183104660.db2.gz KIRYYPCYVQUFGC-UHFFFAOYSA-N 0 0 318.642 3.801 10 5 DHBERN Cc1ccc2c(cccc2Nc2ncnc(Cl)c2[N+](=O)[O-])n1 ZINC000040571590 183104662 /nfs/dbraw/zinc/10/46/62/183104662.db2.gz DHZKWVLGJJOSRG-UHFFFAOYSA-N 0 0 315.720 3.638 10 5 DHBERN CCCNc1ncnc(Nc2ccccc2CC)c1[N+](=O)[O-] ZINC000040586990 183105914 /nfs/dbraw/zinc/10/59/14/183105914.db2.gz JEVKEHKPCOWDNP-UHFFFAOYSA-N 0 0 301.350 3.513 10 5 DHBERN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H]2CCCC[C@H]21 ZINC000078650900 331675101 /nfs/dbraw/zinc/67/51/01/331675101.db2.gz FALBIUKOIIWXTD-QMTHXVAHSA-N 0 0 308.765 3.653 10 5 DHBERN Nc1ccc2c(c1)CCC[C@@H]2Nc1ccc(F)cc1[N+](=O)[O-] ZINC000262043061 331894113 /nfs/dbraw/zinc/89/41/13/331894113.db2.gz CDEWDXHUPXZXNH-AWEZNQCLSA-N 0 0 301.321 3.806 10 5 DHBERN CCc1nn(C)c(N[C@H](C)c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000091561461 331918838 /nfs/dbraw/zinc/91/88/38/331918838.db2.gz GEBRZELKPHJKSH-SECBINFHSA-N 0 0 308.769 3.717 10 5 DHBERN C[C@H]1CC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000159565021 332661547 /nfs/dbraw/zinc/66/15/47/332661547.db2.gz HCQUASATYMDKSM-LRDDRELGSA-N 0 0 310.353 3.963 10 5 DHBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@H]1c1cnn(C)c1 ZINC000276398180 334077112 /nfs/dbraw/zinc/07/71/12/334077112.db2.gz GBTBHICCLLOXAT-AWEZNQCLSA-N 0 0 320.780 3.632 10 5 DHBERN Cc1ccc(Oc2cc(C)nc(-c3cccc([N+](=O)[O-])c3)n2)cn1 ZINC000301225196 336295634 /nfs/dbraw/zinc/29/56/34/336295634.db2.gz FVCPBZAJQSRSSM-UHFFFAOYSA-N 0 0 322.324 3.856 10 5 DHBERN Cc1csc(CN(C)c2ccc([N+](=O)[O-])c3cnccc32)n1 ZINC000301284767 336298743 /nfs/dbraw/zinc/29/87/43/336298743.db2.gz MGNXLXFURQOYON-UHFFFAOYSA-N 0 0 314.370 3.544 10 5 DHBERN CCOC(=O)c1cc(N2CC[C@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000301634439 336319643 /nfs/dbraw/zinc/31/96/43/336319643.db2.gz VTPRUVVUOOWWBT-IUODEOHRSA-N 0 0 318.373 3.540 10 5 DHBERN CO[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000301785131 336329629 /nfs/dbraw/zinc/32/96/29/336329629.db2.gz PAZFLYOZEWUUPT-VXGBXAGGSA-N 0 0 301.346 3.513 10 5 DHBERN Cc1ccc(Nc2cccc(C[S@](C)=O)c2C)c([N+](=O)[O-])c1 ZINC000301799260 336330707 /nfs/dbraw/zinc/33/07/07/336330707.db2.gz BMTQPFVICVPRES-QFIPXVFZSA-N 0 0 318.398 3.834 10 5 DHBERN Cc1cc(N2CCS[C@@H](C)[C@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000302026069 336343864 /nfs/dbraw/zinc/34/38/64/336343864.db2.gz QGCKXAOPLMBKPX-NEPJUHHUSA-N 0 0 317.414 3.782 10 5 DHBERN CC(C)(CNc1cc(CO)ccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000302031468 336344265 /nfs/dbraw/zinc/34/42/65/336344265.db2.gz KFKMHMPXQRMZCY-UHFFFAOYSA-N 0 0 318.348 3.616 10 5 DHBERN O=[N+]([O-])c1ccc(CO)cc1N[C@H]1CCCc2cc(F)ccc21 ZINC000302040453 336344903 /nfs/dbraw/zinc/34/49/03/336344903.db2.gz NMPSGERECBKJKN-HNNXBMFYSA-N 0 0 316.332 3.716 10 5 DHBERN O=[N+]([O-])c1cccc(OCCc2ccc(Br)cc2)c1 ZINC000584593102 337373640 /nfs/dbraw/zinc/37/36/40/337373640.db2.gz QENGWJYHOOSWHP-UHFFFAOYSA-N 0 0 322.158 3.979 10 5 DHBERN CC[C@@H](NC(=O)NC1(CC)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000176707536 340430509 /nfs/dbraw/zinc/43/05/09/340430509.db2.gz NETOSJLYVYJVKY-CQSZACIVSA-N 0 0 305.378 3.678 10 5 DHBERN CC[C@H](NC(=O)c1cccc2cc[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC000177785507 340443553 /nfs/dbraw/zinc/44/35/53/340443553.db2.gz FOFXGSMCPYKZIQ-INIZCTEOSA-N 0 0 323.352 3.957 10 5 DHBERN CC[C@@H](NC(=O)Nc1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000157240233 522751871 /nfs/dbraw/zinc/75/18/71/522751871.db2.gz OGJARPINGCZACD-CYBMUJFWSA-N 0 0 305.359 3.929 10 5 DHBERN Cc1nc([N+](=O)[O-])cn1CC(=O)c1ccc(-c2ccccc2)cc1 ZINC000000119280 563570233 /nfs/dbraw/zinc/57/02/33/563570233.db2.gz XWIZUYVETAUNRD-UHFFFAOYSA-N 0 0 321.336 3.650 10 5 DHBERN Cc1nc(NC(=O)C(C)C)sc1Cc1ccc([N+](=O)[O-])cc1 ZINC000036639351 190663460 /nfs/dbraw/zinc/66/34/60/190663460.db2.gz ZXOCHSUTXZLECG-UHFFFAOYSA-N 0 0 319.386 3.545 10 5 DHBERN Cc1ncsc1C(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000084808606 192469333 /nfs/dbraw/zinc/46/93/33/192469333.db2.gz GRKRWACKYWNHGO-SNVBAGLBSA-N 0 0 306.343 3.586 10 5 DHBERN C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1 ZINC000005109346 181204471 /nfs/dbraw/zinc/20/44/71/181204471.db2.gz RKGSGLZLNFBIFP-SNVBAGLBSA-N 0 0 320.732 3.654 10 5 DHBERN CCCN(CCC)c1c(N)cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000005139145 181208988 /nfs/dbraw/zinc/20/89/88/181208988.db2.gz IFLIFBDYHJJBRP-UHFFFAOYSA-N 0 0 305.300 3.822 10 5 in-vitro DHBERN CCC(C)(C)c1cnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000005307536 181228538 /nfs/dbraw/zinc/22/85/38/181228538.db2.gz RZYUJUZFXLAXTN-UHFFFAOYSA-N 0 0 319.386 3.991 10 5 DHBERN Cc1cccc(C)c1OCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000005419834 181241265 /nfs/dbraw/zinc/24/12/65/181241265.db2.gz OQRDVWNLHFGGJB-UHFFFAOYSA-N 0 0 314.341 3.538 10 5 DHBERN Cc1ccc(NC(=O)COc2ccc(C)c(C)c2)c([N+](=O)[O-])c1 ZINC000005698335 181274167 /nfs/dbraw/zinc/27/41/67/181274167.db2.gz NAWUQHQZOQBWCU-UHFFFAOYSA-N 0 0 314.341 3.538 10 5 DHBERN CCc1ccc(CCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000006555894 181354382 /nfs/dbraw/zinc/35/43/82/181354382.db2.gz ODSTYVHOTOEGGM-UHFFFAOYSA-N 0 0 322.748 3.975 10 5 DHBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(Cl)ccc1F ZINC000015578798 182007741 /nfs/dbraw/zinc/00/77/41/182007741.db2.gz BMYVJDQPNAFWGQ-UHFFFAOYSA-N 0 0 308.696 3.948 10 5 DHBERN C[C@H](Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)c1ccccc1 ZINC000037974509 182946713 /nfs/dbraw/zinc/94/67/13/182946713.db2.gz YFSQMUVVMQACMI-JTQLQIEISA-N 0 0 305.717 3.898 10 5 DHBERN O=[N+]([O-])c1ccc(-c2cn3ccc(Br)cc3n2)cc1 ZINC000039325759 183017638 /nfs/dbraw/zinc/01/76/38/183017638.db2.gz TZVTVSXWZFWAHH-UHFFFAOYSA-N 0 0 318.130 3.672 10 5 DHBERN O=[N+]([O-])c1c(NC2CCCC2)ncnc1Oc1ccccc1 ZINC000040659739 183114849 /nfs/dbraw/zinc/11/48/49/183114849.db2.gz HLCWCSXIFUPXDG-UHFFFAOYSA-N 0 0 300.318 3.532 10 5 DHBERN Cc1ccc2cccc(Nc3ncnc(Cl)c3[N+](=O)[O-])c2n1 ZINC000040571269 183104637 /nfs/dbraw/zinc/10/46/37/183104637.db2.gz FEONZKAXGDZIHY-UHFFFAOYSA-N 0 0 315.720 3.638 10 5 DHBERN Cc1cccc(Nc2ncnc(NC(C)(C)C)c2[N+](=O)[O-])c1 ZINC000040581716 183105143 /nfs/dbraw/zinc/10/51/43/183105143.db2.gz JPRDSVBINJSYRR-UHFFFAOYSA-N 0 0 301.350 3.647 10 5 DHBERN Cc1ccc(Oc2ncnc(NC(C)(C)C)c2[N+](=O)[O-])cc1 ZINC000040581830 183105385 /nfs/dbraw/zinc/10/53/85/183105385.db2.gz LTPLEKOPGBKZQY-UHFFFAOYSA-N 0 0 302.334 3.696 10 5 DHBERN CCNc1ncnc(Nc2cccc(Cl)c2C)c1[N+](=O)[O-] ZINC000040588388 183106044 /nfs/dbraw/zinc/10/60/44/183106044.db2.gz VDSVIROHOOBWCS-UHFFFAOYSA-N 0 0 307.741 3.522 10 5 DHBERN CCNc1ncnc(Oc2ccc(Cl)c(C)c2)c1[N+](=O)[O-] ZINC000040596521 183107164 /nfs/dbraw/zinc/10/71/64/183107164.db2.gz AUJSDCMJESKWMU-UHFFFAOYSA-N 0 0 308.725 3.571 10 5 DHBERN CCOc1ncnc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000040607760 183107774 /nfs/dbraw/zinc/10/77/74/183107774.db2.gz OSURMWAGWSKTOT-UHFFFAOYSA-N 0 0 311.750 3.588 10 5 DHBERN O=[N+]([O-])c1c(Nc2ccccc2)[nH]cnc1=NNc1ccccc1 ZINC000040624452 183110958 /nfs/dbraw/zinc/11/09/58/183110958.db2.gz OPBQGFUZJKSGKE-UHFFFAOYSA-N 0 0 322.328 3.567 10 5 DHBERN Cc1ccc(Nc2ccc([N+](=O)[O-])cc2N)c(Br)c1 ZINC000052840284 183876585 /nfs/dbraw/zinc/87/65/85/183876585.db2.gz WFFRZSHYTSYQJO-UHFFFAOYSA-N 0 0 322.162 3.992 10 5 DHBERN Nc1cc([N+](=O)[O-])ccc1Nc1ccccc1Br ZINC000052840357 183876623 /nfs/dbraw/zinc/87/66/23/183876623.db2.gz FJNGTHPCOPHAIC-UHFFFAOYSA-N 0 0 308.135 3.683 10 5 DHBERN CC[C@H](NC(=O)N(CC(C)C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000090686828 332017686 /nfs/dbraw/zinc/01/76/86/332017686.db2.gz XUOLEXJVKPJZBS-INIZCTEOSA-N 0 0 319.405 3.876 10 5 DHBERN Cc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000088252878 332048046 /nfs/dbraw/zinc/04/80/46/332048046.db2.gz OQGTWQYVQPYUNR-LLVKDONJSA-N 0 0 302.305 3.533 10 5 DHBERN CC(C)(C)[C@@H](O)CNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000302268840 332985039 /nfs/dbraw/zinc/98/50/39/332985039.db2.gz GPFNQDNXFKNZBG-JTQLQIEISA-N 0 0 307.177 3.721 10 5 DHBERN CC(=O)c1ccc(Oc2nc(C(C)(C)C)ns2)c([N+](=O)[O-])c1 ZINC000160053739 334863406 /nfs/dbraw/zinc/86/34/06/334863406.db2.gz CQBHXUOIQMKQNC-UHFFFAOYSA-N 0 0 321.358 3.739 10 5 DHBERN Cc1csc(CN(C)c2cc(C)c([N+](=O)[O-])cc2Cl)n1 ZINC000301452026 336307532 /nfs/dbraw/zinc/30/75/32/336307532.db2.gz AIGBUWFTWXMOEM-UHFFFAOYSA-N 0 0 311.794 3.958 10 5 DHBERN COC(=O)c1cc(N(C)[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000301498332 336310511 /nfs/dbraw/zinc/31/05/11/336310511.db2.gz CIYONEXZCUJDFG-GFCCVEGCSA-N 0 0 314.341 3.579 10 5 DHBERN CC(C)(C)[C@H]1CCCN(c2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302059791 336346249 /nfs/dbraw/zinc/34/62/49/336346249.db2.gz ROJDPFKHXDNIHK-AWEZNQCLSA-N 0 0 306.406 3.740 10 5 DHBERN CC(C)Cc1ccc([C@H](C)Nc2ncc([N+](=O)[O-])cn2)cc1 ZINC000302165868 336351863 /nfs/dbraw/zinc/35/18/63/336351863.db2.gz RGOAWDMASCNPPA-LBPRGKRZSA-N 0 0 300.362 3.756 10 5 DHBERN CSc1cccc(C(=O)N[C@H](C)c2cccs2)c1[N+](=O)[O-] ZINC000185986311 337253677 /nfs/dbraw/zinc/25/36/77/337253677.db2.gz PKIYICMWJSUGGB-SECBINFHSA-N 0 0 322.411 3.869 10 5 DHBERN O=C(CCC(F)(F)Br)c1ccc([N+](=O)[O-])cc1 ZINC000584635570 337375296 /nfs/dbraw/zinc/37/52/96/337375296.db2.gz KQSUVZFMJFQYOZ-UHFFFAOYSA-N 0 0 308.078 3.545 10 5 DHBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1ccco1 ZINC000116045501 337392263 /nfs/dbraw/zinc/39/22/63/337392263.db2.gz UYZBWCFSUAOLRR-VSGCLNPGSA-N 0 0 312.325 3.565 10 5 DHBERN C[C@H]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000162707404 337661540 /nfs/dbraw/zinc/66/15/40/337661540.db2.gz XTNZQOLLRIZDSB-UGSOOPFHSA-N 0 0 324.380 3.892 10 5 DHBERN CC[C@H](NC(=O)c1cccc(C)c1F)c1cccc([N+](=O)[O-])c1 ZINC000122979600 337934272 /nfs/dbraw/zinc/93/42/72/337934272.db2.gz SOLMNVBEUVMBLY-HNNXBMFYSA-N 0 0 316.332 3.923 10 5 DHBERN Cc1ccc([C@H](C)NC(=O)c2c(Cl)cccc2[N+](=O)[O-])o1 ZINC000136417341 341259056 /nfs/dbraw/zinc/25/90/56/341259056.db2.gz PJEYSDFFWKJTDT-VIFPVBQESA-N 0 0 308.721 3.641 10 5 DHBERN Nc1ccc2c(c1)CCC[C@H]2Nc1c(F)cccc1[N+](=O)[O-] ZINC000262575840 341525293 /nfs/dbraw/zinc/52/52/93/341525293.db2.gz YDCJPXHJYLYIHU-CQSZACIVSA-N 0 0 301.321 3.806 10 5 DHBERN O=[N+]([O-])c1ccc(NCCC2=CCOCC2)cc1C(F)(F)F ZINC000158102636 527363944 /nfs/dbraw/zinc/36/39/44/527363944.db2.gz IBDLDKVBIPFMCU-UHFFFAOYSA-N 0 0 316.279 3.762 10 5 DHBERN O=[N+]([O-])c1cnc2c(F)cc(Br)c(F)c2c1Cl ZINC000232180487 563421134 /nfs/dbraw/zinc/42/11/34/563421134.db2.gz HMCBZMIOWGOUQD-UHFFFAOYSA-N 0 0 323.480 3.837 10 5 DHBERN O=C(Nc1ccccc1[N+](=O)[O-])c1ccccc1C(F)(F)F ZINC000139675902 186023361 /nfs/dbraw/zinc/02/33/61/186023361.db2.gz RZOIQEVCVXSDBD-UHFFFAOYSA-N 0 0 310.231 3.866 10 5 DHBERN COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccccc1C ZINC000006218318 181320285 /nfs/dbraw/zinc/32/02/85/181320285.db2.gz TXIXFEUSUDHYBC-UHFFFAOYSA-N 0 0 301.302 3.556 10 5 DHBERN O=C(Nc1ccccc1[N+](=O)[O-])/C(Cl)=C/c1ccccc1 ZINC000006258920 181323312 /nfs/dbraw/zinc/32/33/12/181323312.db2.gz TXJVSZKQXLVXLI-BENRWUELSA-N 0 0 302.717 3.813 10 5 DHBERN O=C(Nc1nc2cc([N+](=O)[O-])ccc2s1)c1cccc(F)c1 ZINC000012287505 181745412 /nfs/dbraw/zinc/74/54/12/181745412.db2.gz UZKRYOOMSIDJJT-UHFFFAOYSA-N 0 0 317.301 3.596 10 5 DHBERN O=Cc1cc([N+](=O)[O-])ccc1Oc1ccccc1Br ZINC000020368591 182212432 /nfs/dbraw/zinc/21/24/32/182212432.db2.gz ACDLATGPQBBQKL-UHFFFAOYSA-N 0 0 322.114 3.962 10 5 DHBERN Cc1csc(CNc2ccc([N+](=O)[O-])c3cccnc23)n1 ZINC000037981727 182951454 /nfs/dbraw/zinc/95/14/54/182951454.db2.gz YOOQCHHJYAFAGG-UHFFFAOYSA-N 0 0 300.343 3.520 10 5 DHBERN O=[N+]([O-])c1cccc(-c2cn3cccc(C(F)(F)F)c3n2)c1 ZINC000039325738 183016930 /nfs/dbraw/zinc/01/69/30/183016930.db2.gz AOZPGZCBMGQPMP-UHFFFAOYSA-N 0 0 307.231 3.928 10 5 DHBERN CC(=O)c1cccc(-c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000040350715 183055361 /nfs/dbraw/zinc/05/53/61/183055361.db2.gz VYPKOGQJMGYKME-UHFFFAOYSA-N 0 0 309.281 3.514 10 5 DHBERN Cc1cccc(Nc2ncnc(Oc3cccnc3)c2[N+](=O)[O-])c1 ZINC000040648538 183114157 /nfs/dbraw/zinc/11/41/57/183114157.db2.gz MSDSCDDQOODOEW-UHFFFAOYSA-N 0 0 323.312 3.624 10 5 DHBERN CC(C)CCNc1ncnc(Nc2ccccc2)c1[N+](=O)[O-] ZINC000040647938 183114272 /nfs/dbraw/zinc/11/42/72/183114272.db2.gz APAPRDNOHNNMEG-UHFFFAOYSA-N 0 0 301.350 3.586 10 5 DHBERN Cc1ccc(Cl)cc1Nc1ncnc(NC(C)C)c1[N+](=O)[O-] ZINC000040592449 183106833 /nfs/dbraw/zinc/10/68/33/183106833.db2.gz LDDPBOBDKZIUKX-UHFFFAOYSA-N 0 0 321.768 3.911 10 5 DHBERN CCN(CC)c1ncnc(Nc2ccc(C)cc2C)c1[N+](=O)[O-] ZINC000040607971 183107990 /nfs/dbraw/zinc/10/79/90/183107990.db2.gz HXXXHDKOMHZQMT-UHFFFAOYSA-N 0 0 315.377 3.591 10 5 DHBERN CN(c1ccccc1)c1ncnc(Oc2ccccc2)c1[N+](=O)[O-] ZINC000040625521 183110965 /nfs/dbraw/zinc/11/09/65/183110965.db2.gz RITVBGMNTGPXJF-UHFFFAOYSA-N 0 0 322.324 3.945 10 5 DHBERN COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1cccc(Cl)c1 ZINC000040897694 183147211 /nfs/dbraw/zinc/14/72/11/183147211.db2.gz IOSDVSHAHUBYCM-UHFFFAOYSA-N 0 0 321.720 3.901 10 5 DHBERN Nc1cc([N+](=O)[O-])ccc1NCc1ccc(Br)cc1 ZINC000052840392 183876755 /nfs/dbraw/zinc/87/67/55/183876755.db2.gz CMEHMIFNBMRXPH-UHFFFAOYSA-N 0 0 322.162 3.552 10 5 DHBERN Cc1ccc2c(c1)[C@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@H](C)C2 ZINC000182196827 333183320 /nfs/dbraw/zinc/18/33/20/333183320.db2.gz NODPTHJAPIZZBG-SJKOYZFVSA-N 0 0 310.353 3.567 10 5 DHBERN COc1ccccc1[C@H](C)CNc1cccc(F)c1[N+](=O)[O-] ZINC000301194990 336294294 /nfs/dbraw/zinc/29/42/94/336294294.db2.gz TYPLYRLYFHBECK-LLVKDONJSA-N 0 0 304.321 3.958 10 5 DHBERN Cc1cc([N+](=O)[O-])cnc1NCC1(c2ccccc2F)CC1 ZINC000301274955 336298055 /nfs/dbraw/zinc/29/80/55/336298055.db2.gz LPFADGOJBTVHIM-UHFFFAOYSA-N 0 0 301.321 3.581 10 5 DHBERN O=[N+]([O-])c1cccnc1N[C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000301416715 336305306 /nfs/dbraw/zinc/30/53/06/336305306.db2.gz MFKWTGIUZNFHNK-ZIAGYGMSSA-N 0 0 301.321 3.877 10 5 DHBERN O=[N+]([O-])c1cccnc1N[C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000301416714 336305354 /nfs/dbraw/zinc/30/53/54/336305354.db2.gz MFKWTGIUZNFHNK-UONOGXRCSA-N 0 0 301.321 3.877 10 5 DHBERN O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)nc1 ZINC000301450202 336307538 /nfs/dbraw/zinc/30/75/38/336307538.db2.gz WZYDIDVZKUFFCU-HUUCEWRRSA-N 0 0 301.321 3.877 10 5 DHBERN COC(=O)C(C)(C)C(C)(C)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000301573420 336315744 /nfs/dbraw/zinc/31/57/44/336315744.db2.gz OZTZRIOJHZPCHL-UHFFFAOYSA-N 0 0 314.769 3.638 10 5 DHBERN O=[N+]([O-])c1ccc(N2CC[C@H]3CCCC[C@@H]32)cc1OC(F)F ZINC000301582701 336316361 /nfs/dbraw/zinc/31/63/61/336316361.db2.gz QEJOCONHMJDOHI-PWSUYJOCSA-N 0 0 312.316 3.965 10 5 DHBERN Cn1c(Cl)c(Cl)cc1CNc1ccccc1[N+](=O)[O-] ZINC000301664711 336321846 /nfs/dbraw/zinc/32/18/46/336321846.db2.gz WBFHBFRJQOUTBR-UHFFFAOYSA-N 0 0 300.145 3.852 10 5 DHBERN CO[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000301785130 336329714 /nfs/dbraw/zinc/32/97/14/336329714.db2.gz PAZFLYOZEWUUPT-RYUDHWBXSA-N 0 0 301.346 3.513 10 5 DHBERN Cc1cc(NCc2cccc(-c3cnn(C)c3)c2)ccc1[N+](=O)[O-] ZINC000301897163 336336801 /nfs/dbraw/zinc/33/68/01/336336801.db2.gz VLBRSHSNPMBAGJ-UHFFFAOYSA-N 0 0 322.368 3.916 10 5 DHBERN CC(C)(C)Oc1cc(CNc2ccccc2[N+](=O)[O-])ccn1 ZINC000301909028 336337604 /nfs/dbraw/zinc/33/76/04/336337604.db2.gz ATAVZEPMVLNZGQ-UHFFFAOYSA-N 0 0 301.346 3.779 10 5 DHBERN Cc1cc(N2C[C@H](C)OC[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000301950411 336339520 /nfs/dbraw/zinc/33/95/20/336339520.db2.gz GMOCCIGMEFXMTD-KBXCAEBGSA-N 0 0 312.369 3.870 10 5 DHBERN CSc1cc(C)ccc1CNc1cc(CO)ccc1[N+](=O)[O-] ZINC000301983128 336341275 /nfs/dbraw/zinc/34/12/75/336341275.db2.gz AOUTXMFHUMXINN-UHFFFAOYSA-N 0 0 318.398 3.730 10 5 DHBERN O=[N+]([O-])c1cnc(Sc2nc3cc(Cl)ccc3s2)nc1 ZINC000302138953 336350357 /nfs/dbraw/zinc/35/03/57/336350357.db2.gz CRSDKCNQSHPTAX-UHFFFAOYSA-N 0 0 324.774 3.799 10 5 DHBERN CC[C@H](Nc1cncc(OC(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000302310305 336357087 /nfs/dbraw/zinc/35/70/87/336357087.db2.gz SMSGFYWEZLLYOO-AWEZNQCLSA-N 0 0 316.361 3.735 10 5 DHBERN CC(=O)c1ccc(N(C)Cc2ccc(C)c(F)c2)c([N+](=O)[O-])c1 ZINC000302710713 336366047 /nfs/dbraw/zinc/36/60/47/336366047.db2.gz KONFSQDSOFMAKO-UHFFFAOYSA-N 0 0 316.332 3.881 10 5 DHBERN Cc1ccc([C@@H]2CCCCN2C(=O)c2ccccc2[N+](=O)[O-])o1 ZINC000127463880 337420919 /nfs/dbraw/zinc/42/09/19/337420919.db2.gz KXGZOTMMMJYBSE-HNNXBMFYSA-N 0 0 314.341 3.864 10 5 DHBERN Cc1ccccc1[C@@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000159543834 338528001 /nfs/dbraw/zinc/52/80/01/338528001.db2.gz LQYSNSGHKAESMQ-CQSZACIVSA-N 0 0 312.369 3.632 10 5 DHBERN Cc1c(Br)c(N[C@H](C)C(C)C)ncc1[N+](=O)[O-] ZINC000165717328 339052931 /nfs/dbraw/zinc/05/29/31/339052931.db2.gz BCMJXQJTIVFWJY-MRVPVSSYSA-N 0 0 302.172 3.517 10 5 DHBERN CC[C@@H](NC(=O)c1ccc(Cl)cn1)c1cccc([N+](=O)[O-])c1 ZINC000177813746 340443811 /nfs/dbraw/zinc/44/38/11/340443811.db2.gz SWFNILYFDVERSH-CYBMUJFWSA-N 0 0 319.748 3.524 10 5 DHBERN COc1cc(N[C@@H](C)c2cccs2)c([N+](=O)[O-])cc1OC ZINC000213824258 522760450 /nfs/dbraw/zinc/76/04/50/522760450.db2.gz POHLUUZOJCYGOE-VIFPVBQESA-N 0 0 308.359 3.847 10 5 DHBERN CC[C@@H](NC(=O)c1cc(C)oc1C)c1cccc([N+](=O)[O-])c1 ZINC000177794187 522776523 /nfs/dbraw/zinc/77/65/23/522776523.db2.gz KFXVQTXMFROEBF-OAHLLOKOSA-N 0 0 302.330 3.686 10 5 DHBERN CCc1sc([C@@H](C)Nc2c([N+](=O)[O-])c(C)nn2C)cc1C ZINC000157783384 523075002 /nfs/dbraw/zinc/07/50/02/523075002.db2.gz JZOBLWVYPRETMW-SECBINFHSA-N 0 0 308.407 3.742 10 5 DHBERN C[C@H]1CCC[C@@H](CC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000088230816 1017318039 /nfs/dbraw/zinc/31/80/39/1017318039.db2.gz PQDAOKKJURYIET-UONOGXRCSA-N 0 0 316.401 3.696 10 5 DHBERN O=C(Nc1cc(Cl)ccc1[N+](=O)[O-])c1cccnc1Cl ZINC000004289404 181093100 /nfs/dbraw/zinc/09/31/00/181093100.db2.gz MKXRQRLNQUUVCW-UHFFFAOYSA-N 0 0 312.112 3.549 10 5 DHBERN Cc1ccc(NC(=O)CSCc2ccccc2)c([N+](=O)[O-])c1 ZINC000004836602 181160167 /nfs/dbraw/zinc/16/01/67/181160167.db2.gz GZCUMSYQGRXTGY-UHFFFAOYSA-N 0 0 316.382 3.775 10 5 DHBERN Cc1ccccc1[C@@H](C)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000022160814 182311688 /nfs/dbraw/zinc/31/16/88/182311688.db2.gz OLXBHDVWMKCFHQ-SNVBAGLBSA-N 0 0 302.359 3.786 10 5 DHBERN Cc1csc(CNc2ccc([N+](=O)[O-])c3ncccc23)n1 ZINC000037979626 182950480 /nfs/dbraw/zinc/95/04/80/182950480.db2.gz XXCBVVZLRIBVHW-UHFFFAOYSA-N 0 0 300.343 3.520 10 5 DHBERN O=Cc1ccc(Br)cc1Oc1ccc([N+](=O)[O-])cc1 ZINC000038080240 182986444 /nfs/dbraw/zinc/98/64/44/182986444.db2.gz TZOGJGXIMWVQMP-UHFFFAOYSA-N 0 0 322.114 3.962 10 5 DHBERN O=[N+]([O-])c1c(Cl)ncnc1Oc1cccc2ccccc21 ZINC000040571117 183103602 /nfs/dbraw/zinc/10/36/02/183103602.db2.gz FDNMUQSHVDCKSJ-UHFFFAOYSA-N 0 0 301.689 3.984 10 5 DHBERN CCNc1ncnc(Nc2ccc(C)c(Cl)c2)c1[N+](=O)[O-] ZINC000040590794 183105960 /nfs/dbraw/zinc/10/59/60/183105960.db2.gz RSZAUKQDJWCUIH-UHFFFAOYSA-N 0 0 307.741 3.522 10 5 DHBERN Cc1ccc(Oc2ncnc(NC(C)C)c2[N+](=O)[O-])cc1C ZINC000040597824 183107151 /nfs/dbraw/zinc/10/71/51/183107151.db2.gz XSWSIBYBVXQEEM-UHFFFAOYSA-N 0 0 302.334 3.614 10 5 DHBERN O=C(CCc1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000040995182 183155450 /nfs/dbraw/zinc/15/54/50/183155450.db2.gz RBGWYRSFGSHAIU-UHFFFAOYSA-N 0 0 304.733 3.820 10 5 DHBERN C[C@H](N(C)c1ncc(Br)cc1[N+](=O)[O-])C(C)(C)C ZINC000042801664 183310829 /nfs/dbraw/zinc/31/08/29/183310829.db2.gz DZTUBDHUKYQAIT-QMMMGPOBSA-N 0 0 316.199 3.623 10 5 DHBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1ccco1 ZINC000255369202 331735762 /nfs/dbraw/zinc/73/57/62/331735762.db2.gz UYZBWCFSUAOLRR-YYRKOSNBSA-N 0 0 312.325 3.565 10 5 DHBERN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)c1ccccc1Cl ZINC000091557602 331918731 /nfs/dbraw/zinc/91/87/31/331918731.db2.gz RYVIOCKGSZANCM-VIFPVBQESA-N 0 0 308.769 3.946 10 5 DHBERN Cc1cc(N[C@H](C)COCc2ccccc2)ccc1[N+](=O)[O-] ZINC000390664523 333312663 /nfs/dbraw/zinc/31/26/63/333312663.db2.gz RRXMROSBJZAWLN-CQSZACIVSA-N 0 0 300.358 3.920 10 5 DHBERN COc1cc(C)c(Sc2cc(C)c([N+](=O)[O-])cn2)cc1OC ZINC000301417095 336305370 /nfs/dbraw/zinc/30/53/70/336305370.db2.gz CESLUROXRUYJQM-UHFFFAOYSA-N 0 0 320.370 3.775 10 5 DHBERN COc1ccccc1[C@@H](C)CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000301433818 336306518 /nfs/dbraw/zinc/30/65/18/336306518.db2.gz LEDYQUJZXYCRFJ-LBPRGKRZSA-N 0 0 301.346 3.522 10 5 DHBERN Cc1cc(NCc2cc(Cl)c(Cl)n2C)ncc1[N+](=O)[O-] ZINC000301656663 336321205 /nfs/dbraw/zinc/32/12/05/336321205.db2.gz SDGVYBJRTJGHHZ-UHFFFAOYSA-N 0 0 315.160 3.556 10 5 DHBERN CO[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000301808095 336331422 /nfs/dbraw/zinc/33/14/22/336331422.db2.gz YYWIWTUBCIEMHF-NEPJUHHUSA-N 0 0 301.346 3.513 10 5 DHBERN Cc1cccc(C2=CCN(c3cc(CO)ccc3[N+](=O)[O-])CC2)c1 ZINC000301983209 336341300 /nfs/dbraw/zinc/34/13/00/336341300.db2.gz ASTWVTSAPZMYQJ-UHFFFAOYSA-N 0 0 324.380 3.689 10 5 DHBERN Cc1cccc([C@H](C)CNc2cc(CO)ccc2[N+](=O)[O-])c1 ZINC000302014982 336343160 /nfs/dbraw/zinc/34/31/60/336343160.db2.gz BTOTVPAMOUJWLP-CYBMUJFWSA-N 0 0 300.358 3.611 10 5 DHBERN Cc1cccc([C@@H](C)CNc2cc(CO)ccc2[N+](=O)[O-])c1 ZINC000302014983 336343203 /nfs/dbraw/zinc/34/32/03/336343203.db2.gz BTOTVPAMOUJWLP-ZDUSSCGKSA-N 0 0 300.358 3.611 10 5 DHBERN Cc1ccc(C[C@@H](C)Nc2cc(CO)ccc2[N+](=O)[O-])c(C)c1 ZINC000302022253 336343663 /nfs/dbraw/zinc/34/36/63/336343663.db2.gz GCQUUWBFBRFGAN-CQSZACIVSA-N 0 0 314.385 3.747 10 5 DHBERN O=C1CCc2cc(Oc3ncc([N+](=O)[O-])cc3Cl)ccc21 ZINC000302500990 336360265 /nfs/dbraw/zinc/36/02/65/336360265.db2.gz CSSCDAYANLCVOB-UHFFFAOYSA-N 0 0 304.689 3.564 10 5 DHBERN CCOc1ccc2c(c1)CN(c1cc(F)ccc1[N+](=O)[O-])CC2 ZINC000302789456 336369293 /nfs/dbraw/zinc/36/92/93/336369293.db2.gz DZNHETKWYISEQV-UHFFFAOYSA-N 0 0 316.332 3.695 10 5 DHBERN CCN(CC)c1ccc(CNc2cc(F)ccc2[N+](=O)[O-])cn1 ZINC000302794104 336369403 /nfs/dbraw/zinc/36/94/03/336369403.db2.gz IBWBSZJTFVBLLD-UHFFFAOYSA-N 0 0 318.352 3.587 10 5 DHBERN O=[N+]([O-])c1ccc(F)cc1NC[C@H](O)c1ccc(Cl)cc1 ZINC000302817549 336370384 /nfs/dbraw/zinc/37/03/84/336370384.db2.gz MQFXBPUXGRMFCW-AWEZNQCLSA-N 0 0 310.712 3.533 10 5 DHBERN C[C@@H]1CN(c2cc(F)ccc2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000302821436 336370575 /nfs/dbraw/zinc/37/05/75/336370575.db2.gz QNMPGUBSHDKZIW-SJKOYZFVSA-N 0 0 316.332 3.700 10 5 DHBERN CN(Cc1nc2ccccc2s1)c1cc(F)ccc1[N+](=O)[O-] ZINC000302855157 336372001 /nfs/dbraw/zinc/37/20/01/336372001.db2.gz KWOVKPDLWMPCHN-UHFFFAOYSA-N 0 0 317.345 3.980 10 5 DHBERN O=[N+]([O-])c1ccc2oc(CN3CCC[C@@H]3c3ccco3)nc2c1 ZINC000177080967 337155258 /nfs/dbraw/zinc/15/52/58/337155258.db2.gz FMQWBVBLQHPYOW-CYBMUJFWSA-N 0 0 313.313 3.666 10 5 DHBERN Cc1cccc(OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000181790073 337184741 /nfs/dbraw/zinc/18/47/41/337184741.db2.gz QNQNDSGULHVZBA-UHFFFAOYSA-N 0 0 311.297 3.532 10 5 DHBERN CN(C)C(=O)c1cccc(Oc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000584592481 337373595 /nfs/dbraw/zinc/37/35/95/337373595.db2.gz NIICOPBVSBXCCW-UHFFFAOYSA-N 0 0 320.732 3.742 10 5 DHBERN COC(=O)[C@H](C)c1ccc(Oc2ccccc2[N+](=O)[O-])cc1 ZINC000584595594 337374030 /nfs/dbraw/zinc/37/40/30/337374030.db2.gz PQUIKBBPWBXDCL-LLVKDONJSA-N 0 0 301.298 3.664 10 5 DHBERN C[C@H](COCc1ccccc1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000172780866 340341473 /nfs/dbraw/zinc/34/14/73/340341473.db2.gz IUSJTOBCARLJOP-LLVKDONJSA-N 0 0 321.764 3.660 10 5 DHBERN CC[C@H](NC(=O)Nc1ccc(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000184225329 522481044 /nfs/dbraw/zinc/48/10/44/522481044.db2.gz RIQTXMVHMAMBCZ-AWEZNQCLSA-N 0 0 314.345 3.571 10 5 DHBERN CCc1sc([C@H](C)Nc2c([N+](=O)[O-])c(C)nn2C)cc1C ZINC000157783512 523078275 /nfs/dbraw/zinc/07/82/75/523078275.db2.gz JZOBLWVYPRETMW-VIFPVBQESA-N 0 0 308.407 3.742 10 5 DHBERN CCc1ccc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)o1 ZINC000128537233 524053412 /nfs/dbraw/zinc/05/34/12/524053412.db2.gz KYEIJZAXDTVRED-GFCCVEGCSA-N 0 0 318.329 3.711 10 5 DHBERN O=[N+]([O-])c1ccc2c(c1)ncn2CCc1ccc(Cl)cc1 ZINC000230466129 563773533 /nfs/dbraw/zinc/77/35/33/563773533.db2.gz ALTUZMRLYYTGKB-UHFFFAOYSA-N 0 0 301.733 3.841 10 5 DHBERN Cc1c(-c2nc3cc(Cl)ccc3c(=O)o2)cccc1[N+](=O)[O-] ZINC000001508924 180870927 /nfs/dbraw/zinc/87/09/27/180870927.db2.gz CLROZAUDFRXQMU-UHFFFAOYSA-N 0 0 316.700 3.725 10 5 DHBERN COc1ccc2c(=O)c3ccccc3oc2c1CN1CCCCC1 ZINC000004216861 181085378 /nfs/dbraw/zinc/08/53/78/181085378.db2.gz PYSOHOOUXFWCFF-UHFFFAOYSA-N 0 0 323.392 3.941 10 5 in-man DHBERN Cc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c(C)c1 ZINC000005750513 181280372 /nfs/dbraw/zinc/28/03/72/181280372.db2.gz GIRUPBCZNBQLON-UHFFFAOYSA-N 0 0 314.341 3.538 10 5 DHBERN CC[S@](=O)c1c2cc(OC)ccc2nc2ccc(OC)cc21 ZINC000005847062 181289225 /nfs/dbraw/zinc/28/92/25/181289225.db2.gz FNWQSNYSPZQNSF-JOCHJYFZSA-N 0 0 315.394 3.533 10 5 DHBERN CCOC(=O)c1ccccc1NSc1ccccc1[N+](=O)[O-] ZINC000005953288 181300013 /nfs/dbraw/zinc/30/00/13/181300013.db2.gz SNSIXBPBPKDYLN-UHFFFAOYSA-N 0 0 318.354 3.891 10 5 DHBERN O=[N+]([O-])c1ccccc1/C=C/CN1CCCC[C@H]1c1cn[nH]c1 ZINC000093437995 193251786 /nfs/dbraw/zinc/25/17/86/193251786.db2.gz QTBIEYOVANBSFX-YERXGYGTSA-N 0 0 312.373 3.558 10 5 DHBERN Nc1cccc(Nc2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000019519306 182127209 /nfs/dbraw/zinc/12/72/09/182127209.db2.gz JVAHTHBXPZBMTJ-UHFFFAOYSA-N 0 0 308.135 3.683 10 5 DHBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccn1 ZINC000037979560 182950378 /nfs/dbraw/zinc/95/03/78/182950378.db2.gz YHQOTXLQQXRDSW-UHFFFAOYSA-N 0 0 312.112 3.549 10 5 DHBERN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1Br)C(C)=O ZINC000038004250 182959627 /nfs/dbraw/zinc/95/96/27/182959627.db2.gz QMKMSBKTLNQTRI-VIFPVBQESA-N 0 0 300.152 3.515 10 5 DHBERN CCNc1ncnc(Oc2cccc3ccccc32)c1[N+](=O)[O-] ZINC000040583395 183105039 /nfs/dbraw/zinc/10/50/39/183105039.db2.gz YDLQNEGMWCOGPT-UHFFFAOYSA-N 0 0 310.313 3.762 10 5 DHBERN CC(C)(C)Nc1ncnc(Nc2ccccc2Cl)c1[N+](=O)[O-] ZINC000040581710 183105290 /nfs/dbraw/zinc/10/52/90/183105290.db2.gz NNKGGIFCDMYDNX-UHFFFAOYSA-N 0 0 321.768 3.992 10 5 DHBERN Cc1ccc(Nc2ncnc(OC(C)C)c2[N+](=O)[O-])cc1Cl ZINC000040591086 183105787 /nfs/dbraw/zinc/10/57/87/183105787.db2.gz HXZSIWJDDPHACQ-UHFFFAOYSA-N 0 0 322.752 3.877 10 5 DHBERN CCOc1ncnc(Oc2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000040611061 183109069 /nfs/dbraw/zinc/10/90/69/183109069.db2.gz QLVQNRYCCLDFEJ-UHFFFAOYSA-N 0 0 303.318 3.699 10 5 DHBERN Cc1cc(Br)ccc1Oc1ccncc1[N+](=O)[O-] ZINC000063063258 184269108 /nfs/dbraw/zinc/26/91/08/184269108.db2.gz WNKKTXWNHIQXPJ-UHFFFAOYSA-N 0 0 309.119 3.853 10 5 DHBERN C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000035208028 331486345 /nfs/dbraw/zinc/48/63/45/331486345.db2.gz FKCQTXDGSTZSSJ-UFBFGSQYSA-N 0 0 304.268 3.593 10 5 DHBERN Nc1ccc2c(c1)CCC[C@H]2Nc1ccc(F)cc1[N+](=O)[O-] ZINC000262043065 331894097 /nfs/dbraw/zinc/89/40/97/331894097.db2.gz CDEWDXHUPXZXNH-CQSZACIVSA-N 0 0 301.321 3.806 10 5 DHBERN C[C@H](COCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1F ZINC000390699985 333316248 /nfs/dbraw/zinc/31/62/48/333316248.db2.gz KJZNOEYIEAHQMP-GFCCVEGCSA-N 0 0 304.321 3.751 10 5 DHBERN COc1ccc(OC)c([C@@H](C)NCc2csc([N+](=O)[O-])c2)c1 ZINC000123477672 333468747 /nfs/dbraw/zinc/46/87/47/333468747.db2.gz USZCHXWIMYEZTE-SNVBAGLBSA-N 0 0 322.386 3.524 10 5 DHBERN Cc1n[nH]c(C)c1CNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000301221753 336295407 /nfs/dbraw/zinc/29/54/07/336295407.db2.gz CFKZJJYTZIBURN-UHFFFAOYSA-N 0 0 314.267 3.566 10 5 DHBERN O=[N+]([O-])c1cccnc1N[C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000301416713 336305340 /nfs/dbraw/zinc/30/53/40/336305340.db2.gz MFKWTGIUZNFHNK-KGLIPLIRSA-N 0 0 301.321 3.877 10 5 DHBERN Cc1cc(N[C@H]2C[C@H]2c2cccc(Cl)c2)ncc1[N+](=O)[O-] ZINC000301441271 336306924 /nfs/dbraw/zinc/30/69/24/336306924.db2.gz OVMPBXFZXFIAFU-STQMWFEESA-N 0 0 303.749 3.920 10 5 DHBERN Cc1cc(NCCSc2ccccc2F)ncc1[N+](=O)[O-] ZINC000301441972 336307009 /nfs/dbraw/zinc/30/70/09/336307009.db2.gz OZVLOWMBTMYMRS-UHFFFAOYSA-N 0 0 307.350 3.642 10 5 DHBERN Cc1cc(NCC2(c3ccccc3F)CC2)ncc1[N+](=O)[O-] ZINC000301452560 336307669 /nfs/dbraw/zinc/30/76/69/336307669.db2.gz UUHOVQVZDIIFFP-UHFFFAOYSA-N 0 0 301.321 3.581 10 5 DHBERN CC[C@H](CNc1c([N+](=O)[O-])c(C)nn1C)c1ccc(Cl)cc1 ZINC000301679858 336322930 /nfs/dbraw/zinc/32/29/30/336322930.db2.gz FGFRESSTOWDGOL-LLVKDONJSA-N 0 0 322.796 3.896 10 5 DHBERN Cc1ccc(NCc2nccn2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000301829635 336332828 /nfs/dbraw/zinc/33/28/28/336332828.db2.gz REQGOAQPGQYBIE-UHFFFAOYSA-N 0 0 322.368 3.760 10 5 DHBERN O=[N+]([O-])c1ccc(CO)cc1N1CCC(=Cc2ccccc2)CC1 ZINC000302019971 336343542 /nfs/dbraw/zinc/34/35/42/336343542.db2.gz DQUQKRDOURZFLM-UHFFFAOYSA-N 0 0 324.380 3.771 10 5 DHBERN O=C1CCc2cc(Oc3ncc(Cl)cc3[N+](=O)[O-])ccc21 ZINC000302525167 336360886 /nfs/dbraw/zinc/36/08/86/336360886.db2.gz JVJDUASLDDXZLD-UHFFFAOYSA-N 0 0 304.689 3.564 10 5 DHBERN C[C@@H]1CC(=O)Oc2cc(Oc3ccc(F)cc3[N+](=O)[O-])ccc21 ZINC000302807152 336370061 /nfs/dbraw/zinc/37/00/61/336370061.db2.gz GCEFDKKIRWWHBF-SECBINFHSA-N 0 0 317.272 3.939 10 5 DHBERN C[C@@H]1CN(c2cc(F)ccc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000302821431 336370494 /nfs/dbraw/zinc/37/04/94/336370494.db2.gz QNMPGUBSHDKZIW-PXAZEXFGSA-N 0 0 316.332 3.700 10 5 DHBERN O=[N+]([O-])c1ccc(Cl)c(CN2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000172180670 337090215 /nfs/dbraw/zinc/09/02/15/337090215.db2.gz WGBXWSWBHFQWIJ-HNNXBMFYSA-N 0 0 320.780 3.699 10 5 DHBERN O=c1c2ccccc2ccc2ccc([S@@](=O)C(F)(F)F)cc21 ZINC000584638079 337379530 /nfs/dbraw/zinc/37/95/30/337379530.db2.gz NZBPRAWKLQGFFZ-JOCHJYFZSA-N 0 0 322.307 3.981 10 5 DHBERN O=c1oc2ccccc2c2cccc(I)c12 ZINC000584640390 337379932 /nfs/dbraw/zinc/37/99/32/337379932.db2.gz YWRCFJATVSXPCH-UHFFFAOYSA-N 0 0 322.101 3.551 10 5 DHBERN Nc1cc2c(cc1Br)-c1ccc([N+](=O)[O-])cc1C2 ZINC000584641049 337379942 /nfs/dbraw/zinc/37/99/42/337379942.db2.gz KZPNEMVRORBRJW-UHFFFAOYSA-N 0 0 305.131 3.511 10 5 DHBERN Cc1ccc([C@@H]2CCCCN2C(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC000127689208 337421955 /nfs/dbraw/zinc/42/19/55/337421955.db2.gz WWBAJAXNCLIDSF-HNNXBMFYSA-N 0 0 314.341 3.864 10 5 DHBERN C[C@@H]1CC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000162758143 337664151 /nfs/dbraw/zinc/66/41/51/337664151.db2.gz PRBFXWFLLNKFSX-CXAGYDPISA-N 0 0 324.380 3.892 10 5 DHBERN O=[N+]([O-])c1ccc(F)cc1NCc1ccc(Br)o1 ZINC000149007622 527358606 /nfs/dbraw/zinc/35/86/06/527358606.db2.gz YPWFOLFNBLYZLO-UHFFFAOYSA-N 0 0 315.098 3.702 10 5 DHBERN CN(C)c1ncc(-c2cccc([N+](=O)[O-])c2)cc1C(F)(F)F ZINC000584880501 563334310 /nfs/dbraw/zinc/33/43/10/563334310.db2.gz FAGKGEZYTYUALY-UHFFFAOYSA-N 0 0 311.263 3.742 10 5 DHBERN Cc1nn(C(C)C)cc1NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000725242435 563525813 /nfs/dbraw/zinc/52/58/13/563525813.db2.gz DYYXGVMLXMEVNI-UHFFFAOYSA-N 0 0 308.769 3.946 10 5 DHBERN C[C@H](O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000165192544 563961546 /nfs/dbraw/zinc/96/15/46/563961546.db2.gz CLJADPZNYKVUGY-VIFPVBQESA-N 0 0 320.732 3.554 10 5 DHBERN O=[N+]([O-])c1ccc(-c2ccnc3c(-c4ccccc4)cnn32)cc1 ZINC000072451551 191171002 /nfs/dbraw/zinc/17/10/02/191171002.db2.gz XKNANCFTTBTPEJ-UHFFFAOYSA-N 0 0 316.320 3.972 10 5 DHBERN Cc1c2ccccc2nc2c(F)c(NCCO)c(F)c(F)c12 ZINC000004168855 181080786 /nfs/dbraw/zinc/08/07/86/181080786.db2.gz RQSNRKFSTICTSR-UHFFFAOYSA-N 0 0 306.287 3.518 10 5 DHBERN O=C(COc1cccc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000005739936 181279532 /nfs/dbraw/zinc/27/95/32/181279532.db2.gz SRJNBWHBCHHQFI-UHFFFAOYSA-N 0 0 322.320 3.766 10 5 DHBERN O=Cc1c(OC(=O)c2ccccc2[N+](=O)[O-])ccc2ccccc21 ZINC000005777258 181282922 /nfs/dbraw/zinc/28/29/22/181282922.db2.gz LTAFPENUQHDSMZ-UHFFFAOYSA-N 0 0 321.288 3.780 10 5 DHBERN O=[N+]([O-])c1ccc(Cl)c(NC(=S)N2CCCCCC2)c1 ZINC000006330913 181330397 /nfs/dbraw/zinc/33/03/97/181330397.db2.gz TUJPLZSILYSHED-UHFFFAOYSA-N 0 0 313.810 3.821 10 5 DHBERN Cc1cc(C)c(C(=O)Nc2ccccc2[N+](=O)[O-])c(Cl)n1 ZINC000008491495 181559479 /nfs/dbraw/zinc/55/94/79/181559479.db2.gz NYQABZNMNBSFOP-UHFFFAOYSA-N 0 0 305.721 3.512 10 5 DHBERN O=[N+]([O-])c1ccc(Oc2ccccc2Br)c(CO)c1 ZINC000020468340 182221638 /nfs/dbraw/zinc/22/16/38/182221638.db2.gz CCEKKBLPWAPCOV-UHFFFAOYSA-N 0 0 324.130 3.642 10 5 DHBERN O=[N+]([O-])c1ccc(OCC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000098210986 193792104 /nfs/dbraw/zinc/79/21/04/193792104.db2.gz JNAMJQFNUUZLJK-QMMMGPOBSA-N 0 0 303.158 3.509 10 5 DHBERN O=[N+]([O-])c1cccc(/C=C\c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000100170683 193796232 /nfs/dbraw/zinc/79/62/32/193796232.db2.gz OUXDWRIVHNBVLH-PLNGDYQASA-N 0 0 315.241 3.582 10 5 DHBERN O=[N+]([O-])c1cccc(-c2cn3c(cccc3C(F)(F)F)n2)c1 ZINC000039325706 183017336 /nfs/dbraw/zinc/01/73/36/183017336.db2.gz PEJZEOLCHJSIPH-UHFFFAOYSA-N 0 0 307.231 3.928 10 5 DHBERN Cc1cccc(Nc2ncnc(NC3CCCC3)c2[N+](=O)[O-])c1 ZINC000040648555 183113985 /nfs/dbraw/zinc/11/39/85/183113985.db2.gz DQYZUDKHGXVOFB-UHFFFAOYSA-N 0 0 313.361 3.791 10 5 DHBERN Cc1ccc(Oc2ncnc(OC(C)C)c2[N+](=O)[O-])cc1C ZINC000040659695 183114834 /nfs/dbraw/zinc/11/48/34/183114834.db2.gz RLKAWZXCAQXKDY-UHFFFAOYSA-N 0 0 303.318 3.581 10 5 DHBERN Cc1ccc(Oc2ncnc(Oc3cccnc3)c2[N+](=O)[O-])cc1 ZINC000040659784 183114941 /nfs/dbraw/zinc/11/49/41/183114941.db2.gz FMEHQPPVRBOWFI-UHFFFAOYSA-N 0 0 324.296 3.673 10 5 DHBERN CCN(c1ccccc1)c1ncnc(NC(C)(C)C)c1[N+](=O)[O-] ZINC000040573145 183104469 /nfs/dbraw/zinc/10/44/69/183104469.db2.gz RPORLTIZHDNXOK-UHFFFAOYSA-N 0 0 315.377 3.753 10 5 DHBERN CCN(CC)c1ncnc(Nc2cc(C)cc(C)c2)c1[N+](=O)[O-] ZINC000040582932 183104888 /nfs/dbraw/zinc/10/48/88/183104888.db2.gz KCESSJWTLZNZKV-UHFFFAOYSA-N 0 0 315.377 3.591 10 5 DHBERN CCCCNc1ncnc(Oc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000040595361 183106948 /nfs/dbraw/zinc/10/69/48/183106948.db2.gz LOZOHMANZKIILC-UHFFFAOYSA-N 0 0 302.334 3.698 10 5 DHBERN O=[N+]([O-])c1c(Nc2ccccc2)ncnc1N1CCCCCC1 ZINC000040610047 183109019 /nfs/dbraw/zinc/10/90/19/183109019.db2.gz NZJIAFWMGHGXFZ-UHFFFAOYSA-N 0 0 313.361 3.509 10 5 DHBERN CCOc1ncnc(Nc2cccc3ccccc32)c1[N+](=O)[O-] ZINC000040627260 183111044 /nfs/dbraw/zinc/11/10/44/183111044.db2.gz JEDIDYNYKLEZCQ-UHFFFAOYSA-N 0 0 310.313 3.680 10 5 DHBERN O=C(c1cc2c(ccc3ccccc32)oc1=O)N1CCCCCC1 ZINC000040803804 183136065 /nfs/dbraw/zinc/13/60/65/183136065.db2.gz XKAVBYYFEYRALG-UHFFFAOYSA-N 0 0 321.376 3.962 10 5 DHBERN O=[N+]([O-])c1cccc(NC(=S)N2CCCc3ccccc32)c1 ZINC000013839188 134517291 /nfs/dbraw/zinc/51/72/91/134517291.db2.gz OCJKIRASAZPTGJ-UHFFFAOYSA-N 0 0 313.382 3.744 10 5 DHBERN CCc1nn(C)c(N[C@@H](C)c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000091561460 331918915 /nfs/dbraw/zinc/91/89/15/331918915.db2.gz GEBRZELKPHJKSH-VIFPVBQESA-N 0 0 308.769 3.717 10 5 DHBERN COc1cccc(N[C@H](C)COCc2ccccc2)c1[N+](=O)[O-] ZINC000390700697 333315996 /nfs/dbraw/zinc/31/59/96/333315996.db2.gz LIKWUAYILZUPAE-CYBMUJFWSA-N 0 0 316.357 3.621 10 5 DHBERN COc1cc(N[C@@H](C)COCc2ccccc2)ccc1[N+](=O)[O-] ZINC000390711995 333317472 /nfs/dbraw/zinc/31/74/72/333317472.db2.gz YIGVYLWZWYZGPA-ZDUSSCGKSA-N 0 0 316.357 3.621 10 5 DHBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@@H]1c1cnn(C)c1 ZINC000276398192 334077011 /nfs/dbraw/zinc/07/70/11/334077011.db2.gz GBTBHICCLLOXAT-CQSZACIVSA-N 0 0 320.780 3.632 10 5 DHBERN CC[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])c1ccccc1 ZINC000050197650 334374088 /nfs/dbraw/zinc/37/40/88/334374088.db2.gz SACFMBBNNCLDRP-LLVKDONJSA-N 0 0 302.359 3.867 10 5 DHBERN CC(C)(C)[C@H]1OCC[C@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000301277023 336298189 /nfs/dbraw/zinc/29/81/89/336298189.db2.gz MJLRHCGPIBXDGX-CABZTGNLSA-N 0 0 313.785 3.506 10 5 DHBERN CCOc1ccc(CNc2ncc([N+](=O)[O-])cc2Cl)cc1C ZINC000301287819 336298872 /nfs/dbraw/zinc/29/88/72/336298872.db2.gz RMHRDLCRRJUYDO-UHFFFAOYSA-N 0 0 321.764 3.962 10 5 DHBERN O=[N+]([O-])c1ccccc1N1CCC[C@@H](COc2ccccc2)C1 ZINC000301288650 336298997 /nfs/dbraw/zinc/29/89/97/336298997.db2.gz NXINTNPFWNBRER-OAHLLOKOSA-N 0 0 312.369 3.890 10 5 DHBERN COc1ccccc1[C@H](C)CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000301433815 336306436 /nfs/dbraw/zinc/30/64/36/336306436.db2.gz LEDYQUJZXYCRFJ-GFCCVEGCSA-N 0 0 301.346 3.522 10 5 DHBERN O=[N+]([O-])c1ccc(N[C@H]2CCC[C@H]2c2ccc(F)cc2)nc1 ZINC000301450201 336307493 /nfs/dbraw/zinc/30/74/93/336307493.db2.gz WZYDIDVZKUFFCU-GJZGRUSLSA-N 0 0 301.321 3.877 10 5 DHBERN Cc1ccc([C@@](C)(O)CNc2cc(C)c([N+](=O)[O-])cc2Cl)o1 ZINC000301482044 336309635 /nfs/dbraw/zinc/30/96/35/336309635.db2.gz STDPQMXLMOMZAH-HNNXBMFYSA-N 0 0 324.764 3.778 10 5 DHBERN CCS[C@@H]1CC[C@@H](Nc2cc(OC)cc(F)c2[N+](=O)[O-])C1 ZINC000301486732 336309886 /nfs/dbraw/zinc/30/98/86/336309886.db2.gz XVYQWDYMFKHLPQ-MWLCHTKSSA-N 0 0 314.382 3.829 10 5 DHBERN CO[C@H](C)c1nc(CN(C)c2ccc([N+](=O)[O-])c(C)c2)cs1 ZINC000301587550 336316649 /nfs/dbraw/zinc/31/66/49/336316649.db2.gz WQCLWKVATSFSRA-LLVKDONJSA-N 0 0 321.402 3.704 10 5 DHBERN O=[N+]([O-])c1ccc(Br)cc1N1C[C@@H]2CC=CC[C@H]2C1 ZINC000301668673 336322162 /nfs/dbraw/zinc/32/21/62/336322162.db2.gz MSZNEXCNVFRLQI-QWRGUYRKSA-N 0 0 323.190 3.760 10 5 DHBERN CO[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000301787434 336329809 /nfs/dbraw/zinc/32/98/09/336329809.db2.gz PVOSKUJKLMSFHV-KOLCDFICSA-N 0 0 318.295 3.983 10 5 DHBERN O=[N+]([O-])c1ccc(CO)cc1N[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000302030311 336344177 /nfs/dbraw/zinc/34/41/77/336344177.db2.gz JREHCSQJFMMXRX-KGLIPLIRSA-N 0 0 318.760 3.709 10 5 DHBERN CCOc1cccc(N2CCC[C@H]2c2ccco2)c1[N+](=O)[O-] ZINC000302240094 336355736 /nfs/dbraw/zinc/35/57/36/336355736.db2.gz XGHINLWGBJEJGC-LBPRGKRZSA-N 0 0 302.330 3.928 10 5 DHBERN Cc1cccc(N2CCC[C@H]2c2noc(C(C)C)n2)c1[N+](=O)[O-] ZINC000302723429 336366610 /nfs/dbraw/zinc/36/66/10/336366610.db2.gz INOJCJWZEYMOFQ-ZDUSSCGKSA-N 0 0 316.361 3.751 10 5 DHBERN CC[C@H](NC(=O)c1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000177780830 340443469 /nfs/dbraw/zinc/44/34/69/340443469.db2.gz ZWOCYANFBPHSBF-HNNXBMFYSA-N 0 0 320.295 3.754 10 5 DHBERN CC(=O)c1ccc(Oc2ncc(C)cc2[N+](=O)[O-])c(Cl)c1 ZINC000120386253 534872168 /nfs/dbraw/zinc/87/21/68/534872168.db2.gz NHCYXHWJUUPACM-UHFFFAOYSA-N 0 0 306.705 3.947 10 5 DHBERN CC(=O)c1ccc(NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000070451378 563614314 /nfs/dbraw/zinc/61/43/14/563614314.db2.gz PHRIWIRTVBEZPK-UHFFFAOYSA-N 0 0 317.276 3.581 10 5 DHBERN C[C@H](O)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000226273698 563913637 /nfs/dbraw/zinc/91/36/37/563913637.db2.gz IYNFTUUYRFDGEP-VIFPVBQESA-N 0 0 320.732 3.554 10 5 DHBERN O=Cc1cc([N+](=O)[O-])ccc1Sc1nc2cccnc2s1 ZINC000000163322 180712210 /nfs/dbraw/zinc/71/22/10/180712210.db2.gz XKDSSRVCLYGOGJ-UHFFFAOYSA-N 0 0 317.351 3.563 10 5 DHBERN Cc1nc([N+](=O)[O-])cn1C[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000004302132 181094407 /nfs/dbraw/zinc/09/44/07/181094407.db2.gz YFIDUBCJLAEHEB-QGZVFWFLSA-N 0 0 323.352 3.500 10 5 DHBERN O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000005515006 181252476 /nfs/dbraw/zinc/25/24/76/181252476.db2.gz HYLZQCGFEOGUQL-UHFFFAOYSA-N 0 0 321.130 3.610 10 5 DHBERN Cc1cc([N+](=O)[O-])ccc1-c1nc2cc(Cl)ccc2c(=O)o1 ZINC000006189160 181318417 /nfs/dbraw/zinc/31/84/17/181318417.db2.gz FJPBJSOKYDIBDT-UHFFFAOYSA-N 0 0 316.700 3.725 10 5 DHBERN Cc1cccc(C)c1O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000008163004 181531712 /nfs/dbraw/zinc/53/17/12/181531712.db2.gz AAYHELAVGWEDJW-ZDUSSCGKSA-N 0 0 314.341 3.618 10 5 DHBERN O=Cc1cc([N+](=O)[O-])ccc1Oc1ccc(Br)cc1 ZINC000020306998 182204999 /nfs/dbraw/zinc/20/49/99/182204999.db2.gz NPIMFOQBYAIITK-UHFFFAOYSA-N 0 0 322.114 3.962 10 5 DHBERN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000021516562 182277450 /nfs/dbraw/zinc/27/74/50/182277450.db2.gz FRVGPTZUBVZICC-CWSCBRNRSA-N 0 0 310.781 3.803 10 5 DHBERN CCc1ccc(Nc2ncnc(NC(C)(C)C)c2[N+](=O)[O-])cc1 ZINC000040581491 183104880 /nfs/dbraw/zinc/10/48/80/183104880.db2.gz IIYFCRSFYAESAR-UHFFFAOYSA-N 0 0 315.377 3.901 10 5 DHBERN CCc1ccc(Oc2ncnc(NC(C)(C)C)c2[N+](=O)[O-])cc1 ZINC000040581916 183104932 /nfs/dbraw/zinc/10/49/32/183104932.db2.gz QWBODDIWPJCSJH-UHFFFAOYSA-N 0 0 316.361 3.950 10 5 DHBERN Cc1ccc(Oc2ncnc(Nc3cccnc3)c2[N+](=O)[O-])cc1 ZINC000040628460 183110749 /nfs/dbraw/zinc/11/07/49/183110749.db2.gz YMTIUQDDCBLAMH-UHFFFAOYSA-N 0 0 323.312 3.624 10 5 DHBERN CCCSc1nn2cc(-c3cccc([N+](=O)[O-])c3)nc2s1 ZINC000040965228 183152038 /nfs/dbraw/zinc/15/20/38/183152038.db2.gz YXAZNUUTCDJXJL-UHFFFAOYSA-N 0 0 320.399 3.868 10 5 DHBERN Cc1cccc2c(NC(=O)c3cccc([N+](=O)[O-])c3)ccnc12 ZINC000041057849 183161184 /nfs/dbraw/zinc/16/11/84/183161184.db2.gz MEJOUUTWPAVHJP-UHFFFAOYSA-N 0 0 307.309 3.704 10 5 DHBERN CC(C)CN(c1ncc(Br)cc1[N+](=O)[O-])C(C)C ZINC000042599794 183289361 /nfs/dbraw/zinc/28/93/61/183289361.db2.gz QXKLWXMGZHCIQH-UHFFFAOYSA-N 0 0 316.199 3.623 10 5 DHBERN O=[N+]([O-])c1ccc(Oc2nc(Cl)nc3ccccc32)cc1 ZINC000052811389 183874285 /nfs/dbraw/zinc/87/42/85/183874285.db2.gz LHCOEJIHZLOAFX-UHFFFAOYSA-N 0 0 301.689 3.984 10 5 DHBERN Cc1cc(Oc2ccc(Cl)cc2[N+](=O)[O-])nc(Cl)n1 ZINC000052813879 183875225 /nfs/dbraw/zinc/87/52/25/183875225.db2.gz VUDSSFABOSXMCV-UHFFFAOYSA-N 0 0 300.101 3.792 10 5 DHBERN CC[C@@H](NC(=O)N1CCC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000151932190 196748243 /nfs/dbraw/zinc/74/82/43/196748243.db2.gz DGMIUNFONSXXEF-OAHLLOKOSA-N 0 0 317.389 3.632 10 5 DHBERN CC[C@H](Nc1nccn2nc(C)cc12)c1cccc([N+](=O)[O-])c1 ZINC000274901770 130272199 /nfs/dbraw/zinc/27/21/99/130272199.db2.gz LKACJBFGGZROON-AWEZNQCLSA-N 0 0 311.345 3.509 10 5 DHBERN CCOC(=O)c1cc(N[C@@H](C)c2ccco2)ccc1[N+](=O)[O-] ZINC000121225399 132152882 /nfs/dbraw/zinc/15/28/82/132152882.db2.gz SFCFLVWEBAXPQW-JTQLQIEISA-N 0 0 304.302 3.538 10 5 DHBERN C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)C(C)(C)C ZINC000122455441 132166880 /nfs/dbraw/zinc/16/68/80/132166880.db2.gz WICAAWZDFXADIC-SSDOTTSWSA-N 0 0 302.172 3.599 10 5 DHBERN C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000035208029 331486443 /nfs/dbraw/zinc/48/64/43/331486443.db2.gz FKCQTXDGSTZSSJ-PELKAZGASA-N 0 0 304.268 3.593 10 5 DHBERN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109098972 331509980 /nfs/dbraw/zinc/50/99/80/331509980.db2.gz CYFJZLCXPYCIKG-OLZOCXBDSA-N 0 0 318.279 3.615 10 5 DHBERN O=[N+]([O-])c1cnc(N[C@@H](Cc2ccccc2)C(F)(F)F)s1 ZINC000192493802 336036220 /nfs/dbraw/zinc/03/62/20/336036220.db2.gz MOWOWESOHMXPIK-VIFPVBQESA-N 0 0 317.292 3.637 10 5 DHBERN Cc1cc(N[C@H]2C[C@@H]2c2cccc(Cl)c2)ncc1[N+](=O)[O-] ZINC000301441268 336306878 /nfs/dbraw/zinc/30/68/78/336306878.db2.gz OVMPBXFZXFIAFU-OLZOCXBDSA-N 0 0 303.749 3.920 10 5 DHBERN CO[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000301787436 336329865 /nfs/dbraw/zinc/32/98/65/336329865.db2.gz PVOSKUJKLMSFHV-ONGXEEELSA-N 0 0 318.295 3.983 10 5 DHBERN CCOc1cc(NCc2nc(C)sc2C)ccc1[N+](=O)[O-] ZINC000301818377 336332038 /nfs/dbraw/zinc/33/20/38/336332038.db2.gz AEUKVCZKZSPGGD-UHFFFAOYSA-N 0 0 307.375 3.679 10 5 DHBERN COc1ccc(-c2c(F)c(F)c([N+](=O)[O-])c(F)c2F)cc1 ZINC000584623712 337375235 /nfs/dbraw/zinc/37/52/35/337375235.db2.gz AKKLCWWZIIGQAE-UHFFFAOYSA-N 0 0 301.195 3.827 10 5 DHBERN CC[C@@H](NC(=O)Cc1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000177812334 340443803 /nfs/dbraw/zinc/44/38/03/340443803.db2.gz ZNTRASUMALRTCG-QGZVFWFLSA-N 0 0 312.369 3.713 10 5 DHBERN CCCCc1nc(CN[C@H](CC)c2cccc([N+](=O)[O-])c2)no1 ZINC000181547206 521304337 /nfs/dbraw/zinc/30/43/37/521304337.db2.gz PUXTZJYPTLUSTE-CQSZACIVSA-N 0 0 318.377 3.561 10 5 DHBERN CC[C@@H](NCc1nc(C(C)(C)C)no1)c1cccc([N+](=O)[O-])c1 ZINC000181560575 522893943 /nfs/dbraw/zinc/89/39/43/522893943.db2.gz NRRYSHQQDLBXOM-CYBMUJFWSA-N 0 0 318.377 3.516 10 5 DHBERN CCn1c2ccccc2nc1[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000237224992 523295831 /nfs/dbraw/zinc/29/58/31/523295831.db2.gz YBLDRAIQEZIPSS-ZDUSSCGKSA-N 0 0 324.384 3.815 10 5 DHBERN Cc1ccc(N2CCC[C@@H]2c2noc(C(C)C)n2)c([N+](=O)[O-])c1 ZINC000269882839 524955952 /nfs/dbraw/zinc/95/59/52/524955952.db2.gz ALGIFOSDMGNLLU-CYBMUJFWSA-N 0 0 316.361 3.751 10 5 DHBERN O=[N+]([O-])c1cnc2c(F)cc(F)c(Br)c2c1Cl ZINC000228209371 563421207 /nfs/dbraw/zinc/42/12/07/563421207.db2.gz KBPAEJSVJDZRRH-UHFFFAOYSA-N 0 0 323.480 3.837 10 5 DHBERN O=[N+]([O-])c1ccc(-c2cc(C(F)(F)F)c(Cl)nn2)cc1 ZINC000536957027 563470020 /nfs/dbraw/zinc/47/00/20/563470020.db2.gz AVRJTKJKVIPIIO-UHFFFAOYSA-N 0 0 303.627 3.724 10 5 DHBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000067026806 1025260223 /nfs/dbraw/zinc/26/02/23/1025260223.db2.gz HKXMLJHVLXOASN-CJNGLKHVSA-N 0 0 302.374 3.698 10 5 DHBERN O=[N+]([O-])c1cccc(-c2nnc(-c3ccccc3Cl)[nH]2)c1 ZINC000000505362 190615155 /nfs/dbraw/zinc/61/51/55/190615155.db2.gz WWLPYPSOURLCHU-UHFFFAOYSA-N 0 0 300.705 3.700 10 5 DHBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000005550709 181255885 /nfs/dbraw/zinc/25/58/85/181255885.db2.gz DKYIWDWQRXZNFA-JTQLQIEISA-N 0 0 304.733 3.739 10 5 DHBERN CCOC(=O)[C@@H](C)n1c2ccccc2c2nc3ccccc3nc21 ZINC000005508835 181251298 /nfs/dbraw/zinc/25/12/98/181251298.db2.gz DOXOKCDZVVOMSI-GFCCVEGCSA-N 0 0 319.364 3.862 10 5 DHBERN Cc1cccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000005942967 181299147 /nfs/dbraw/zinc/29/91/47/181299147.db2.gz BEIRWXDPZLLVLI-UHFFFAOYSA-N 0 0 320.732 3.574 10 5 DHBERN O=C(Nc1ccccc1-n1cccc1)c1cccc([N+](=O)[O-])c1 ZINC000006392656 181337169 /nfs/dbraw/zinc/33/71/69/181337169.db2.gz KVAHPBSYEWVXPN-UHFFFAOYSA-N 0 0 307.309 3.638 10 5 DHBERN CC1CCN(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000006634541 181363340 /nfs/dbraw/zinc/36/33/40/181363340.db2.gz ABXCRXFYDJDRCW-UHFFFAOYSA-N 0 0 314.341 3.727 10 5 DHBERN O=[N+]([O-])c1ccc2[nH]nc(-c3cncc(C(F)(F)F)c3)c2c1 ZINC000091364455 193045851 /nfs/dbraw/zinc/04/58/51/193045851.db2.gz JWUGGWNMLGHIJB-UHFFFAOYSA-N 0 0 308.219 3.552 10 5 DHBERN O=Cc1ccc(Oc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000008080182 181525015 /nfs/dbraw/zinc/52/50/15/181525015.db2.gz PRAQZHSJLMGWEK-UHFFFAOYSA-N 0 0 322.114 3.962 10 5 DHBERN O=[N+]([O-])c1cc(CO)ccc1Oc1ccccc1Br ZINC000020468342 182221406 /nfs/dbraw/zinc/22/14/06/182221406.db2.gz LMMLLEGPBAPHKD-UHFFFAOYSA-N 0 0 324.130 3.642 10 5 DHBERN O=[N+]([O-])c1ccc2c(cnn2-c2ccc(C(F)(F)F)cc2)c1 ZINC000021988219 182302490 /nfs/dbraw/zinc/30/24/90/182302490.db2.gz WIJYIOJZYBHKDD-UHFFFAOYSA-N 0 0 307.231 3.953 10 5 DHBERN C[C@H](Nc1ccncc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000038012641 182963550 /nfs/dbraw/zinc/96/35/50/182963550.db2.gz MCIREJONDZIERL-VIFPVBQESA-N 0 0 322.162 3.925 10 5 DHBERN Cc1ccc(Nc2ncnc(NCCC(C)C)c2[N+](=O)[O-])cc1 ZINC000040648990 183113992 /nfs/dbraw/zinc/11/39/92/183113992.db2.gz GDEJYPUDUKXNQT-UHFFFAOYSA-N 0 0 315.377 3.895 10 5 DHBERN CC(C)CCNc1ncnc(Oc2ccccc2)c1[N+](=O)[O-] ZINC000040659719 183114839 /nfs/dbraw/zinc/11/48/39/183114839.db2.gz UVVVUZCDJUSJMO-UHFFFAOYSA-N 0 0 302.334 3.635 10 5 DHBERN O=[N+]([O-])c1c(Cl)ncnc1Sc1ccc(Cl)cc1 ZINC000040571181 183104025 /nfs/dbraw/zinc/10/40/25/183104025.db2.gz OLDAWVMIZUVMHL-UHFFFAOYSA-N 0 0 302.142 3.843 10 5 DHBERN O=[N+]([O-])c1c(Cl)ncnc1Nc1ccc(F)c(Cl)c1 ZINC000040571475 183104245 /nfs/dbraw/zinc/10/42/45/183104245.db2.gz POVSBPKLFXNAHP-UHFFFAOYSA-N 0 0 303.080 3.574 10 5 DHBERN CCN(CC)c1ncnc(Oc2cc(C)cc(C)c2)c1[N+](=O)[O-] ZINC000040582536 183105233 /nfs/dbraw/zinc/10/52/33/183105233.db2.gz HMTKEGCFEXZTIF-UHFFFAOYSA-N 0 0 316.361 3.640 10 5 DHBERN Cc1cc(C)cc(Nc2ncnc(NC(C)C)c2[N+](=O)[O-])c1 ZINC000040582926 183105296 /nfs/dbraw/zinc/10/52/96/183105296.db2.gz OBANVHPTPFIECP-UHFFFAOYSA-N 0 0 301.350 3.566 10 5 DHBERN Cc1ccc(Nc2ncnc(NC(C)C)c2[N+](=O)[O-])cc1Cl ZINC000040590798 183106084 /nfs/dbraw/zinc/10/60/84/183106084.db2.gz DGGYNBVHGNSJFA-UHFFFAOYSA-N 0 0 321.768 3.911 10 5 DHBERN CCNc1ncnc(Nc2ccc(Cl)cc2C)c1[N+](=O)[O-] ZINC000040590352 183106283 /nfs/dbraw/zinc/10/62/83/183106283.db2.gz AOMASRHBRUXCFI-UHFFFAOYSA-N 0 0 307.741 3.522 10 5 DHBERN CCN(CC)c1ncnc(Nc2cc(C)ccc2C)c1[N+](=O)[O-] ZINC000040591745 183106468 /nfs/dbraw/zinc/10/64/68/183106468.db2.gz IYIMCKMGOFGQLN-UHFFFAOYSA-N 0 0 315.377 3.591 10 5 DHBERN CC(C)Nc1ncnc(NCCC2=CCCCC2)c1[N+](=O)[O-] ZINC000040597414 183107468 /nfs/dbraw/zinc/10/74/68/183107468.db2.gz JDDHPMGEFMAAQT-UHFFFAOYSA-N 0 0 305.382 3.508 10 5 DHBERN O=[N+]([O-])c1c(NC2CCCCC2)ncnc1OC1CCCCC1 ZINC000040598455 183108213 /nfs/dbraw/zinc/10/82/13/183108213.db2.gz YFWAWDXNRMDTFF-UHFFFAOYSA-N 0 0 320.393 3.841 10 5 DHBERN CCOc1ccccc1/C=C/C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000040950241 183150963 /nfs/dbraw/zinc/15/09/63/183150963.db2.gz LZBBIMMKFRHEPO-VAWYXSNFSA-N 0 0 312.325 3.645 10 5 DHBERN CC(C)Cc1nn2cc(-c3cccc([N+](=O)[O-])c3)nc2s1 ZINC000040963898 183152185 /nfs/dbraw/zinc/15/21/85/183152185.db2.gz VAHLGSJXXDSDGC-UHFFFAOYSA-N 0 0 302.359 3.565 10 5 DHBERN O=C1Nc2ccccc2/C1=C/c1cc([N+](=O)[O-])ccc1Cl ZINC000166407790 256588101 /nfs/dbraw/zinc/58/81/01/256588101.db2.gz FOMPDYBJDRDXBN-WQLSENKSSA-N 0 0 300.701 3.741 10 5 DHBERN CC[C@H](NC(=O)NCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000090073693 331978040 /nfs/dbraw/zinc/97/80/40/331978040.db2.gz AKKKVJCTQRENJT-INIZCTEOSA-N 0 0 313.357 3.545 10 5 DHBERN Cc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])s2)cc1F ZINC000088233644 332047832 /nfs/dbraw/zinc/04/78/32/332047832.db2.gz IGCSGYPNOWSHAD-VIFPVBQESA-N 0 0 308.334 3.595 10 5 DHBERN COc1cc(N[C@@H]2CCCc3cc(N)ccc32)ccc1[N+](=O)[O-] ZINC000261856273 332560457 /nfs/dbraw/zinc/56/04/57/332560457.db2.gz KBDSANRTYLEMPI-OAHLLOKOSA-N 0 0 313.357 3.675 10 5 DHBERN COc1ccccc1[C@@H](C)CNc1cccc(F)c1[N+](=O)[O-] ZINC000301194992 336294311 /nfs/dbraw/zinc/29/43/11/336294311.db2.gz TYPLYRLYFHBECK-NSHDSACASA-N 0 0 304.321 3.958 10 5 DHBERN CCc1ccccc1CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1 ZINC000301350231 336301972 /nfs/dbraw/zinc/30/19/72/336301972.db2.gz LATVYFYLCRRUBN-UHFFFAOYSA-N 0 0 314.341 3.556 10 5 DHBERN COC(=O)c1cc(N2CCC3(CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000301371321 336302996 /nfs/dbraw/zinc/30/29/96/336302996.db2.gz QDLZLHJMIOZMLI-UHFFFAOYSA-N 0 0 318.373 3.542 10 5 DHBERN COc1cc(F)c([N+](=O)[O-])c(N2CCC3(CCCC3)CC2)c1 ZINC000301465432 336308578 /nfs/dbraw/zinc/30/85/78/336308578.db2.gz HKAOZAYGJSSVAH-UHFFFAOYSA-N 0 0 308.353 3.903 10 5 DHBERN CO[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000301791991 336330186 /nfs/dbraw/zinc/33/01/86/336330186.db2.gz RNCSEYCDLJIOTM-ONGXEEELSA-N 0 0 316.304 3.566 10 5 DHBERN Cc1cc(N2C[C@@H](C)OC[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000301950412 336339538 /nfs/dbraw/zinc/33/95/38/336339538.db2.gz GMOCCIGMEFXMTD-KDOFPFPSSA-N 0 0 312.369 3.870 10 5 DHBERN CCOc1cc(NC[C@H](C)Nc2ccccc2)ccc1[N+](=O)[O-] ZINC000301953123 336339654 /nfs/dbraw/zinc/33/96/54/336339654.db2.gz JEFFWXFNAXQNIJ-ZDUSSCGKSA-N 0 0 315.373 3.906 10 5 DHBERN COc1cc(F)c([N+](=O)[O-])c(Oc2ccc3c(c2)CCC3=O)c1 ZINC000302545752 336361329 /nfs/dbraw/zinc/36/13/29/336361329.db2.gz OWPSZQRGMRQPKP-UHFFFAOYSA-N 0 0 317.272 3.664 10 5 DHBERN Cc1cccc(N2CCC[C@@H]2c2noc(C(C)C)n2)c1[N+](=O)[O-] ZINC000302723428 336366643 /nfs/dbraw/zinc/36/66/43/336366643.db2.gz INOJCJWZEYMOFQ-CYBMUJFWSA-N 0 0 316.361 3.751 10 5 DHBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1c1ccco1 ZINC000116474212 336840559 /nfs/dbraw/zinc/84/05/59/336840559.db2.gz ZMXJLFVVEJZKFL-AWEZNQCLSA-N 0 0 315.329 3.865 10 5 DHBERN C[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)c1cncc(F)c1 ZINC000181896559 337185096 /nfs/dbraw/zinc/18/50/96/337185096.db2.gz AUYQHZCHISSSAA-SECBINFHSA-N 0 0 309.728 3.633 10 5 DHBERN CCOCC(C)(C)c1ccc(Br)cc1[N+](=O)[O-] ZINC000584635509 337375172 /nfs/dbraw/zinc/37/51/72/337375172.db2.gz QDAKYCKPKQGJTC-UHFFFAOYSA-N 0 0 302.168 3.671 10 5 DHBERN Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000127465779 337420900 /nfs/dbraw/zinc/42/09/00/337420900.db2.gz BJQBTPTXAYAQTG-HNNXBMFYSA-N 0 0 314.341 3.864 10 5 DHBERN Cc1ccc([C@@H](C)NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)o1 ZINC000120002936 337867829 /nfs/dbraw/zinc/86/78/29/337867829.db2.gz RUBJOFUMYNJOAS-GFCCVEGCSA-N 0 0 317.345 3.996 10 5 DHBERN O=[N+]([O-])c1ccc(Oc2cc(Cl)nc(C3CC3)n2)c(F)c1 ZINC000162789582 338662353 /nfs/dbraw/zinc/66/23/53/338662353.db2.gz XZGZKJSERSJLQF-UHFFFAOYSA-N 0 0 309.684 3.847 10 5 DHBERN CC[C@@H](NC(=O)Cc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000177785267 340443512 /nfs/dbraw/zinc/44/35/12/340443512.db2.gz AJXIFQXTPYMQRZ-MRXNPFEDSA-N 0 0 316.332 3.544 10 5 DHBERN CC(C)(C)[C@@H](O)COc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000394062403 340706698 /nfs/dbraw/zinc/70/66/98/340706698.db2.gz AYQJKIWRRJWIFY-JTQLQIEISA-N 0 0 308.161 3.687 10 5 DHBERN CC[C@H](NC(=O)N1CC[C@@H](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000163115064 341510268 /nfs/dbraw/zinc/51/02/68/341510268.db2.gz GQLBZJPHUVXINM-IOASZLSFSA-N 0 0 319.405 3.733 10 5 DHBERN O=C(N[C@@H]1CCCc2cc(F)ccc21)c1ccc([N+](=O)[O-])s1 ZINC000153303011 341534114 /nfs/dbraw/zinc/53/41/14/341534114.db2.gz WYRKDLAYJZHLCH-GFCCVEGCSA-N 0 0 320.345 3.603 10 5 DHBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000172755014 341807444 /nfs/dbraw/zinc/80/74/44/341807444.db2.gz BHTFCTNBVCMCRY-CVEARBPZSA-N 0 0 316.401 3.770 10 5 DHBERN O=[N+]([O-])c1cnc2cc(F)c(Br)c(F)c2c1Cl ZINC000584882230 563337212 /nfs/dbraw/zinc/33/72/12/563337212.db2.gz VNSMIMJITVFGCM-UHFFFAOYSA-N 0 0 323.480 3.837 10 5 DHBERN Cc1ccc(Br)c2c(Cl)c([N+](=O)[O-])cnc12 ZINC000165875594 563420450 /nfs/dbraw/zinc/42/04/50/563420450.db2.gz ARTRWNZEYOBGFZ-UHFFFAOYSA-N 0 0 301.527 3.867 10 5 DHBERN CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001042172 563787337 /nfs/dbraw/zinc/78/73/37/563787337.db2.gz DCDQZYYZZXAUAQ-VMGRFDJRSA-N 0 0 302.374 3.539 10 5 DHBERN CCOC(=O)c1ccc(N[C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000226289383 201771657 /nfs/dbraw/zinc/77/16/57/201771657.db2.gz FDVDRBFLHMDCSD-WCQYABFASA-N 0 0 306.362 3.762 10 5 DHBERN CC(C)(C)c1ccc(C(=O)Nc2ncc([N+](=O)[O-])s2)cc1 ZINC000005379954 181237323 /nfs/dbraw/zinc/23/73/23/181237323.db2.gz QUEYTGPGMOVNJK-UHFFFAOYSA-N 0 0 305.359 3.601 10 5 DHBERN Nc1ccc2nc3c(Cl)c(Cl)c(=O)c(Cl)c-3oc2c1 ZINC000005421072 181241329 /nfs/dbraw/zinc/24/13/29/181241329.db2.gz IIZIRIMTACCCTC-UHFFFAOYSA-N 0 0 315.543 3.835 10 5 DHBERN COc1ccc(NC(=O)Nc2ccccc2C)c([N+](=O)[O-])c1 ZINC000005748536 181279903 /nfs/dbraw/zinc/27/99/03/181279903.db2.gz PGDGZAUWJDCPLQ-UHFFFAOYSA-N 0 0 301.302 3.556 10 5 DHBERN O=[N+]([O-])c1ccc(Cl)c(NC(=S)NCc2ccccc2)c1 ZINC000006331188 181331152 /nfs/dbraw/zinc/33/11/52/181331152.db2.gz DILAFUKTPYZGFH-UHFFFAOYSA-N 0 0 321.789 3.735 10 5 DHBERN O=[N+]([O-])c1cc(Br)c2nc(Cl)nc(Cl)c2c1 ZINC000091301711 193035992 /nfs/dbraw/zinc/03/59/92/193035992.db2.gz RJXLGRXKTBXQPV-UHFFFAOYSA-N 0 0 322.933 3.607 10 5 DHBERN C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)c1ccco1 ZINC000093433862 334999054 /nfs/dbraw/zinc/99/90/54/334999054.db2.gz XTQYPMJENHSIBR-ZETCQYMHSA-N 0 0 312.123 3.518 10 5 DHBERN O=C(Nc1nc2cc([N+](=O)[O-])ccc2s1)c1cccs1 ZINC000012287513 181746253 /nfs/dbraw/zinc/74/62/53/181746253.db2.gz PHVLZSUGSTZODD-UHFFFAOYSA-N 0 0 305.340 3.518 10 5 DHBERN Cc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000021839626 182294878 /nfs/dbraw/zinc/29/48/78/182294878.db2.gz KRQXGYVTKODZMV-SECBINFHSA-N 0 0 308.721 3.641 10 5 DHBERN Cc1csc(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000037979601 182950092 /nfs/dbraw/zinc/95/00/92/182950092.db2.gz CJDWTRKHENREEH-UHFFFAOYSA-N 0 0 317.292 3.991 10 5 DHBERN O=[N+]([O-])c1ccc(-c2nnc(-c3ccc(F)cc3F)o2)cc1 ZINC000040350738 183055655 /nfs/dbraw/zinc/05/56/55/183055655.db2.gz FCYXBINVVGHVFI-UHFFFAOYSA-N 0 0 303.224 3.590 10 5 DHBERN CC(C)Oc1ncnc(Nc2ccccc2Cl)c1[N+](=O)[O-] ZINC000040648172 183114337 /nfs/dbraw/zinc/11/43/37/183114337.db2.gz UUUSWIJKYAAQPK-UHFFFAOYSA-N 0 0 308.725 3.569 10 5 DHBERN O=[N+]([O-])c1c(Nc2ccc(F)cc2)ncnc1NC1CCCC1 ZINC000040649424 183114546 /nfs/dbraw/zinc/11/45/46/183114546.db2.gz PJIUIPMTWAVGMC-UHFFFAOYSA-N 0 0 317.324 3.622 10 5 DHBERN Cc1ccc(Oc2ncnc(NC3CCCC3)c2[N+](=O)[O-])cc1 ZINC000040659801 183114802 /nfs/dbraw/zinc/11/48/02/183114802.db2.gz XKUJIUHQDIOWKD-UHFFFAOYSA-N 0 0 314.345 3.840 10 5 DHBERN CC(C)(C)Nc1ncnc(NC2CCCCCC2)c1[N+](=O)[O-] ZINC000040581896 183104975 /nfs/dbraw/zinc/10/49/75/183104975.db2.gz GDKLHEXVWHJOBE-UHFFFAOYSA-N 0 0 307.398 3.730 10 5 DHBERN CCOc1ncnc(Oc2cccc3ccccc32)c1[N+](=O)[O-] ZINC000040583541 183105032 /nfs/dbraw/zinc/10/50/32/183105032.db2.gz NXYFGCFRSVYZDE-UHFFFAOYSA-N 0 0 311.297 3.729 10 5 DHBERN Cc1ccc(Nc2ncnc(NC(C)(C)C)c2[N+](=O)[O-])c(C)c1 ZINC000040581633 183105333 /nfs/dbraw/zinc/10/53/33/183105333.db2.gz PPSCUSFKOLZYLC-UHFFFAOYSA-N 0 0 315.377 3.956 10 5 DHBERN CCCNc1ncnc(Nc2ccc(C)c(Cl)c2)c1[N+](=O)[O-] ZINC000040590796 183105816 /nfs/dbraw/zinc/10/58/16/183105816.db2.gz YYIXNEXSCPIOBV-UHFFFAOYSA-N 0 0 321.768 3.912 10 5 DHBERN Cc1ccc(Cl)cc1Nc1ncnc(OC(C)C)c1[N+](=O)[O-] ZINC000040592905 183106943 /nfs/dbraw/zinc/10/69/43/183106943.db2.gz OCXPLCUXQADRSD-UHFFFAOYSA-N 0 0 322.752 3.877 10 5 DHBERN Cc1ccc2nccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2c1 ZINC000041057349 183160064 /nfs/dbraw/zinc/16/00/64/183160064.db2.gz WAGORIGHNGBUMX-UHFFFAOYSA-N 0 0 307.309 3.704 10 5 DHBERN Cc1ccccc1Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000041541171 183200852 /nfs/dbraw/zinc/20/08/52/183200852.db2.gz RIIQQNNUXHDTOS-UHFFFAOYSA-N 0 0 308.135 3.804 10 5 DHBERN CSC[C@H](C)N(C)c1ccc(Br)cc1[N+](=O)[O-] ZINC000122472756 132166586 /nfs/dbraw/zinc/16/65/86/132166586.db2.gz RCRUBQCBROISFP-QMMMGPOBSA-N 0 0 319.224 3.545 10 5 DHBERN O=[N+]([O-])c1cnc(N2CC=C(c3cccs3)CC2)c(Cl)c1 ZINC000301291052 336299108 /nfs/dbraw/zinc/29/91/08/336299108.db2.gz UKVQDKNKDMETJD-UHFFFAOYSA-N 0 0 321.789 3.998 10 5 DHBERN CCc1c(Cl)nc(C)nc1NCc1ccccc1[N+](=O)[O-] ZINC000301363966 336302674 /nfs/dbraw/zinc/30/26/74/336302674.db2.gz MYGRTVOYVBPNOA-UHFFFAOYSA-N 0 0 306.753 3.521 10 5 DHBERN CCS[C@@H]1CC[C@H](Nc2cc(OC)cc(F)c2[N+](=O)[O-])C1 ZINC000301486730 336309783 /nfs/dbraw/zinc/30/97/83/336309783.db2.gz XVYQWDYMFKHLPQ-GXSJLCMTSA-N 0 0 314.382 3.829 10 5 DHBERN COc1ccc(CNc2cc(OC)c(F)cc2[N+](=O)[O-])cc1C ZINC000301634017 336319537 /nfs/dbraw/zinc/31/95/37/336319537.db2.gz VMAFCRKTYUNMAS-UHFFFAOYSA-N 0 0 320.320 3.672 10 5 DHBERN CO[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000301800411 336330848 /nfs/dbraw/zinc/33/08/48/336330848.db2.gz VZFBTOKJSLPIRC-KOLCDFICSA-N 0 0 318.295 3.983 10 5 DHBERN Cc1ccc([C@H]2CCCN2c2cc(CO)ccc2[N+](=O)[O-])s1 ZINC000302072051 336346855 /nfs/dbraw/zinc/34/68/55/336346855.db2.gz WCORGERFNNWDHW-CQSZACIVSA-N 0 0 318.398 3.799 10 5 DHBERN CN(Cc1ccc(F)cc1Cl)c1cc(CO)ccc1[N+](=O)[O-] ZINC000302078983 336347476 /nfs/dbraw/zinc/34/74/76/336347476.db2.gz ZKVYYMREEOXHTB-UHFFFAOYSA-N 0 0 324.739 3.516 10 5 DHBERN CC(=O)c1ccc(Oc2ccc3c(c2)CCC3=O)c([N+](=O)[O-])c1 ZINC000302512411 336360487 /nfs/dbraw/zinc/36/04/87/336360487.db2.gz GIOMETZXVXDJRY-UHFFFAOYSA-N 0 0 311.293 3.719 10 5 DHBERN O=[N+]([O-])c1ccc(F)cc1NCc1nc(-c2ccccc2)c[nH]1 ZINC000302794016 336369312 /nfs/dbraw/zinc/36/93/12/336369312.db2.gz HSKGNCZJWQVGQS-UHFFFAOYSA-N 0 0 312.304 3.736 10 5 DHBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000302819152 336370458 /nfs/dbraw/zinc/37/04/58/336370458.db2.gz JGBJAWMPFKYYTG-WBMJQRKESA-N 0 0 324.808 3.688 10 5 DHBERN Cc1cnc(CCNc2c(C)cc([N+](=O)[O-])cc2Cl)s1 ZINC000302835386 336371297 /nfs/dbraw/zinc/37/12/97/336371297.db2.gz VFVSPNSOISXINB-UHFFFAOYSA-N 0 0 311.794 3.976 10 5 DHBERN COC(=O)c1ccc([N+](=O)[O-])c(Oc2c(C)cccc2C)c1 ZINC000584597475 337374518 /nfs/dbraw/zinc/37/45/18/337374518.db2.gz QJZQAVYEMBZWLY-UHFFFAOYSA-N 0 0 301.298 3.791 10 5 DHBERN CC[C@@H](NC(=O)NCC1(C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000123543180 337399763 /nfs/dbraw/zinc/39/97/63/337399763.db2.gz GDSLVRBEZZUBKQ-OAHLLOKOSA-N 0 0 317.389 3.535 10 5 DHBERN Nc1cccc2c1CCCN2Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000261907059 337612426 /nfs/dbraw/zinc/61/24/26/337612426.db2.gz XGEOLNUMSNVOHG-UHFFFAOYSA-N 0 0 317.776 3.783 10 5 DHBERN C[C@H]1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000162707573 337661568 /nfs/dbraw/zinc/66/15/68/337661568.db2.gz XTNZQOLLRIZDSB-SCLBCKFNSA-N 0 0 324.380 3.892 10 5 DHBERN O=[N+]([O-])c1cc(F)ccc1Oc1cc(Cl)nc(C2CC2)n1 ZINC000162793630 338663197 /nfs/dbraw/zinc/66/31/97/338663197.db2.gz KJAVBJRBRMKBQB-UHFFFAOYSA-N 0 0 309.684 3.847 10 5 DHBERN CCS[C@@H]1CC[C@@H](Nc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000227891129 521727283 /nfs/dbraw/zinc/72/72/83/521727283.db2.gz REIJVLZGTHUKLC-PSASIEDQSA-N 0 0 302.346 3.959 10 5 DHBERN CC[C@H](NC(=O)c1cc(C)oc1C)c1cccc([N+](=O)[O-])c1 ZINC000177794173 522523621 /nfs/dbraw/zinc/52/36/21/522523621.db2.gz KFXVQTXMFROEBF-HNNXBMFYSA-N 0 0 302.330 3.686 10 5 DHBERN CC(=O)c1ccc(Oc2ccc([N+](=O)[O-])c(C)n2)c(Cl)c1 ZINC000120387343 534872060 /nfs/dbraw/zinc/87/20/60/534872060.db2.gz CCSBEHYMALMCTE-UHFFFAOYSA-N 0 0 306.705 3.947 10 5 DHBERN O=[N+]([O-])c1cnc2c(Br)cc(F)cc2c1Cl ZINC000165873805 563420434 /nfs/dbraw/zinc/42/04/34/563420434.db2.gz LPJLXXZKXQFSKV-UHFFFAOYSA-N 0 0 305.490 3.698 10 5 DHBERN CCOC(=O)/C=C/c1ccc(-c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000226257388 563913208 /nfs/dbraw/zinc/91/32/08/563913208.db2.gz OMQMVKRNPJRPEC-VQHVLOKHSA-N 0 0 301.298 3.740 10 5 DHBERN O=[N+]([O-])c1cccc(-c2ccnc3c(-c4ccccc4)cnn32)c1 ZINC000072451554 191170829 /nfs/dbraw/zinc/17/08/29/191170829.db2.gz XWNLLSFFBBZHBQ-UHFFFAOYSA-N 0 0 316.320 3.972 10 5 DHBERN O=[N+]([O-])c1ccc(Nc2ccc(F)c(Cl)c2)c2nonc21 ZINC000005749578 181280184 /nfs/dbraw/zinc/28/01/84/181280184.db2.gz PPEIHTNDRKZZFS-UHFFFAOYSA-N 0 0 308.656 3.667 10 5 DHBERN Cc1c(-c2nc3ccc(Cl)cc3c(=O)o2)cccc1[N+](=O)[O-] ZINC000006473646 181343599 /nfs/dbraw/zinc/34/35/99/181343599.db2.gz LPBHVYRLSSMUFI-UHFFFAOYSA-N 0 0 316.700 3.725 10 5 DHBERN COc1cccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000015411110 182000709 /nfs/dbraw/zinc/00/07/09/182000709.db2.gz QISPFSUAJQKDHI-VQHVLOKHSA-N 0 0 312.325 3.564 10 5 DHBERN CC(C)Oc1ncnc(Nc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000040649092 183114159 /nfs/dbraw/zinc/11/41/59/183114159.db2.gz BGJDSEUOIXKMQU-UHFFFAOYSA-N 0 0 308.725 3.569 10 5 DHBERN Cc1cc(Oc2ncnc(OC(C)C)c2[N+](=O)[O-])ccc1Cl ZINC000040659659 183115005 /nfs/dbraw/zinc/11/50/05/183115005.db2.gz OHZWTJFKAZSXDB-UHFFFAOYSA-N 0 0 323.736 3.926 10 5 DHBERN CCCCOc1ccc(Nc2ncnc(Cl)c2[N+](=O)[O-])cc1 ZINC000040571245 183104176 /nfs/dbraw/zinc/10/41/76/183104176.db2.gz VPYYFVNLJVDSIG-UHFFFAOYSA-N 0 0 322.752 3.961 10 5 DHBERN CCCNc1ncnc(N(CC)c2cccc(C)c2)c1[N+](=O)[O-] ZINC000040572220 183104248 /nfs/dbraw/zinc/10/42/48/183104248.db2.gz ZXPUQSDPUWHQDY-UHFFFAOYSA-N 0 0 315.377 3.673 10 5 DHBERN Cc1cccc(Nc2ncnc(NC(C)(C)C)c2[N+](=O)[O-])c1C ZINC000040581631 183104908 /nfs/dbraw/zinc/10/49/08/183104908.db2.gz LQGXVFIPSTXZPP-UHFFFAOYSA-N 0 0 315.377 3.956 10 5 DHBERN Cc1ccc(Nc2ncnc(NC(C)(C)C)c2[N+](=O)[O-])cc1C ZINC000040581511 183105213 /nfs/dbraw/zinc/10/52/13/183105213.db2.gz ATEOBXKNHMDPAS-UHFFFAOYSA-N 0 0 315.377 3.956 10 5 DHBERN CC(C)(C)Nc1ncnc(Nc2cc(F)ccc2F)c1[N+](=O)[O-] ZINC000040581880 183105339 /nfs/dbraw/zinc/10/53/39/183105339.db2.gz FZQCHJCGHKFCGA-UHFFFAOYSA-N 0 0 323.303 3.617 10 5 DHBERN CC(C)(C)Nc1ncnc(NCCC2=CCCCC2)c1[N+](=O)[O-] ZINC000040581637 183105411 /nfs/dbraw/zinc/10/54/11/183105411.db2.gz IHRUMQLXQAHWLL-UHFFFAOYSA-N 0 0 319.409 3.898 10 5 DHBERN Cc1cc(C)cc(Nc2ncnc(OC(C)C)c2[N+](=O)[O-])c1 ZINC000040583069 183105414 /nfs/dbraw/zinc/10/54/14/183105414.db2.gz HUYGILPOBNNQOH-UHFFFAOYSA-N 0 0 302.334 3.532 10 5 DHBERN Cc1ccc(Nc2ncnc(NC(C)C)c2[N+](=O)[O-])cc1C ZINC000040589914 183106058 /nfs/dbraw/zinc/10/60/58/183106058.db2.gz YAHOTOMYQSAPFV-UHFFFAOYSA-N 0 0 301.350 3.566 10 5 DHBERN CCc1ccc(Oc2ncnc(NC(C)C)c2[N+](=O)[O-])cc1 ZINC000040597814 183107511 /nfs/dbraw/zinc/10/75/11/183107511.db2.gz BSLXTWYCBZHBCD-UHFFFAOYSA-N 0 0 302.334 3.560 10 5 DHBERN Cc1cc(Oc2ncnc(NC(C)C)c2[N+](=O)[O-])ccc1Cl ZINC000040597719 183107527 /nfs/dbraw/zinc/10/75/27/183107527.db2.gz OKXSPJFJBLRCHF-UHFFFAOYSA-N 0 0 322.752 3.959 10 5 DHBERN Cc1cccc(Nc2ncnc(Nc3cccnc3)c2[N+](=O)[O-])c1 ZINC000040628289 183111060 /nfs/dbraw/zinc/11/10/60/183111060.db2.gz KNUKKBVEFCNMRI-UHFFFAOYSA-N 0 0 322.328 3.575 10 5 DHBERN CN(c1ccc([N+](=O)[O-])cc1)c1nc(Cl)nc2ccccc21 ZINC000040863885 183144585 /nfs/dbraw/zinc/14/45/85/183144585.db2.gz WXELIIFXJNHKGQ-UHFFFAOYSA-N 0 0 314.732 3.959 10 5 DHBERN O=[N+]([O-])c1ccccc1C[C@@H](O)c1cccc(Br)c1 ZINC000062138650 184208453 /nfs/dbraw/zinc/20/84/53/184208453.db2.gz AQNZEKFJJLHALR-CQSZACIVSA-N 0 0 322.158 3.633 10 5 DHBERN Cc1ccc([N+](=O)[O-])c(Oc2ccc3c(c2)OC(=O)C[C@H]3C)n1 ZINC000277854668 130645649 /nfs/dbraw/zinc/64/56/49/130645649.db2.gz KQSJXTOXAKEAHJ-SECBINFHSA-N 0 0 314.297 3.503 10 5 DHBERN C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000035208030 331486612 /nfs/dbraw/zinc/48/66/12/331486612.db2.gz FKCQTXDGSTZSSJ-QPUJVOFHSA-N 0 0 304.268 3.593 10 5 DHBERN C[C@H](Nc1ncc(Br)cc1[N+](=O)[O-])c1ccco1 ZINC000048552562 334739374 /nfs/dbraw/zinc/73/93/74/334739374.db2.gz RTZKDONKHKNVKJ-ZETCQYMHSA-N 0 0 312.123 3.518 10 5 DHBERN CCc1c(Cl)nc(C)nc1NCc1ccc([N+](=O)[O-])cc1 ZINC000301338733 336301409 /nfs/dbraw/zinc/30/14/09/336301409.db2.gz DTKBDTWRZCNJME-UHFFFAOYSA-N 0 0 306.753 3.521 10 5 DHBERN CSC[C@@H](C)N(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000301352083 336302079 /nfs/dbraw/zinc/30/20/79/336302079.db2.gz WHONQTZMXCECRI-MRVPVSSYSA-N 0 0 308.325 3.801 10 5 DHBERN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000301366000 336302632 /nfs/dbraw/zinc/30/26/32/336302632.db2.gz QYAZCIGXYIZLOP-ZIAGYGMSSA-N 0 0 303.749 3.920 10 5 DHBERN O=[N+]([O-])c1ccc(NC[C@H]2C[C@]23CCCc2ccccc23)nc1 ZINC000301664735 336321899 /nfs/dbraw/zinc/32/18/99/336321899.db2.gz WCWGQMIBYZGRHV-RDTXWAMCSA-N 0 0 309.369 3.696 10 5 DHBERN CO[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000301791988 336330261 /nfs/dbraw/zinc/33/02/61/336330261.db2.gz RNCSEYCDLJIOTM-GXSJLCMTSA-N 0 0 316.304 3.566 10 5 DHBERN C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[C@H]1CCCO1 ZINC000301885829 336336331 /nfs/dbraw/zinc/33/63/31/336336331.db2.gz PMRGJZPXEUTNAY-IUODEOHRSA-N 0 0 313.357 3.636 10 5 DHBERN C[C@H](CNc1cc(CO)ccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000302077064 336347254 /nfs/dbraw/zinc/34/72/54/336347254.db2.gz YRZGBPTVXMJMOK-SNVBAGLBSA-N 0 0 322.311 3.581 10 5 DHBERN C[C@@H](Nc1ncc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000302175644 336352396 /nfs/dbraw/zinc/35/23/96/336352396.db2.gz WWTXIJLEGZOIFL-SSDOTTSWSA-N 0 0 313.144 3.865 10 5 DHBERN CCOc1cccc(N2CCC[C@@H]2c2ccco2)c1[N+](=O)[O-] ZINC000302240093 336355728 /nfs/dbraw/zinc/35/57/28/336355728.db2.gz XGHINLWGBJEJGC-GFCCVEGCSA-N 0 0 302.330 3.928 10 5 DHBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC(c2cc[nH]n2)CC1 ZINC000302627635 336362925 /nfs/dbraw/zinc/36/29/25/336362925.db2.gz BGJPKUPYFJFHBB-UHFFFAOYSA-N 0 0 320.780 3.664 10 5 DHBERN COC(=O)c1cnc(Nc2ccc3ccccc3c2)c([N+](=O)[O-])c1 ZINC000302670497 336364203 /nfs/dbraw/zinc/36/42/03/336364203.db2.gz DKUBKLNNLZXPMQ-UHFFFAOYSA-N 0 0 323.308 3.673 10 5 DHBERN C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1cccs1 ZINC000193603920 337078552 /nfs/dbraw/zinc/07/85/52/337078552.db2.gz DOPVSVIIIDATEM-SECBINFHSA-N 0 0 317.370 3.714 10 5 DHBERN O=[N+]([O-])c1ccc2c(c1)CCN2c1ccc(C(F)(F)F)cn1 ZINC000584618562 337373193 /nfs/dbraw/zinc/37/31/93/337373193.db2.gz ZXOLZDPDSSZKLC-UHFFFAOYSA-N 0 0 309.247 3.703 10 5 DHBERN C[C@@H]1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000162757890 337664107 /nfs/dbraw/zinc/66/41/07/337664107.db2.gz PRBFXWFLLNKFSX-DYVFJYSZSA-N 0 0 324.380 3.892 10 5 DHBERN C[C@H](Nc1ccc([N+](=O)[O-])nc1)c1cccc(Br)c1 ZINC000055476682 337848781 /nfs/dbraw/zinc/84/87/81/337848781.db2.gz BVUBTUWGWGHAPF-VIFPVBQESA-N 0 0 322.162 3.925 10 5 DHBERN CCc1ccc(C(=O)N[C@@H](C)c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000174088715 340381719 /nfs/dbraw/zinc/38/17/19/340381719.db2.gz YCXMZWARXUDGDF-NSHDSACASA-N 0 0 302.330 3.550 10 5 DHBERN CC[C@H](NC(=O)N1CC[C@@H](C)[C@@H]1CC)c1cccc([N+](=O)[O-])c1 ZINC000185598658 340503283 /nfs/dbraw/zinc/50/32/83/340503283.db2.gz VOJSJFBHSVRMNB-KCXAZCMYSA-N 0 0 319.405 3.876 10 5 DHBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)c2cccs2)c1 ZINC000136294182 341256392 /nfs/dbraw/zinc/25/63/92/341256392.db2.gz VOLZEGLJGGLFRL-SECBINFHSA-N 0 0 306.343 3.616 10 5 DHBERN O=[N+]([O-])c1cnc2ccc(Br)c(F)c2c1Cl ZINC000584881838 563337215 /nfs/dbraw/zinc/33/72/15/563337215.db2.gz DFQUXVWRUOSOAV-UHFFFAOYSA-N 0 0 305.490 3.698 10 5 DHBERN CCOC(=O)/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2C)o1 ZINC000226257555 201770151 /nfs/dbraw/zinc/77/01/51/201770151.db2.gz PTBGCAHFQAKJKJ-CSKARUKUSA-N 0 0 301.298 3.740 10 5 DHBERN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)CCC2 ZINC000005611290 181263563 /nfs/dbraw/zinc/26/35/63/181263563.db2.gz FILZHIBWHKQEKK-JXMROGBWSA-N 0 0 308.337 3.735 10 5 DHBERN COc1cc(C)ccc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000006478518 181344490 /nfs/dbraw/zinc/34/44/90/181344490.db2.gz PVCFTCGINJZGOJ-CSKARUKUSA-N 0 0 312.325 3.564 10 5 DHBERN CC[C@@H](Oc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000006603627 181359959 /nfs/dbraw/zinc/35/99/59/181359959.db2.gz VXKUGBQGYQUZDV-OAHLLOKOSA-N 0 0 318.304 3.530 10 5 DHBERN O=[N+]([O-])c1ccc(Sc2nc(Cl)ncc2Cl)cc1 ZINC000093800414 193309456 /nfs/dbraw/zinc/30/94/56/193309456.db2.gz CIDYHWHDLYGDDB-UHFFFAOYSA-N 0 0 302.142 3.843 10 5 DHBERN C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Cl ZINC000008562223 181564272 /nfs/dbraw/zinc/56/42/72/181564272.db2.gz WMMHBCGEETWYSG-JTQLQIEISA-N 0 0 320.732 3.654 10 5 DHBERN Cc1ccc(C(=O)Nc2nc3cc([N+](=O)[O-])ccc3s2)cc1 ZINC000012287497 181745598 /nfs/dbraw/zinc/74/55/98/181745598.db2.gz NOZYFUHJVPXBGI-UHFFFAOYSA-N 0 0 313.338 3.765 10 5 DHBERN O=C(c1ccc(Cl)cc1)[C@H]1C([N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000016892057 182062255 /nfs/dbraw/zinc/06/22/55/182062255.db2.gz SJNSSSKLWCVCGM-KFWWJZLASA-N 0 0 301.729 3.582 10 5 DHBERN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cc(F)cc(F)c1 ZINC000018253927 182100949 /nfs/dbraw/zinc/10/09/49/182100949.db2.gz FKQFKZYTCMMEMF-SNAWJCMRSA-N 0 0 304.252 3.525 10 5 DHBERN CCc1cc2c(ncnc2Nc2cccc([N+](=O)[O-])c2)s1 ZINC000019975433 182172208 /nfs/dbraw/zinc/17/22/08/182172208.db2.gz FGOKZICMRNCDMR-UHFFFAOYSA-N 0 0 300.343 3.906 10 5 DHBERN C[C@H]1CCCN1C(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 ZINC000037911633 182936828 /nfs/dbraw/zinc/93/68/28/182936828.db2.gz WPSPHMVETDRMNS-ZETCQYMHSA-N 0 0 303.145 3.526 10 5 DHBERN CCCNc1ncnc(Oc2cc(C)cc(C)c2)c1[N+](=O)[O-] ZINC000040582522 183105323 /nfs/dbraw/zinc/10/53/23/183105323.db2.gz OHLYPGZWDYEDOD-UHFFFAOYSA-N 0 0 302.334 3.616 10 5 DHBERN Cc1ccc(C)c(Nc2ncnc(OC(C)C)c2[N+](=O)[O-])c1 ZINC000040592215 183106411 /nfs/dbraw/zinc/10/64/11/183106411.db2.gz CWTBVIQPFNXCCB-UHFFFAOYSA-N 0 0 302.334 3.532 10 5 DHBERN Cc1cccc(Nc2ncnc(NC(C)C)c2[N+](=O)[O-])c1C ZINC000040597406 183107044 /nfs/dbraw/zinc/10/70/44/183107044.db2.gz YZMGIYJHZCNNLX-UHFFFAOYSA-N 0 0 301.350 3.566 10 5 DHBERN O=[N+]([O-])c1c(Oc2ccccc2)ncnc1N1CCCCCC1 ZINC000040610108 183108700 /nfs/dbraw/zinc/10/87/00/183108700.db2.gz WCFDZYZYTRAHFH-UHFFFAOYSA-N 0 0 314.345 3.558 10 5 DHBERN O=C(Nc1ccnc2c(F)cccc12)c1cccc([N+](=O)[O-])c1 ZINC000041058092 183161179 /nfs/dbraw/zinc/16/11/79/183161179.db2.gz AEHSQXHBDLLNRG-UHFFFAOYSA-N 0 0 311.272 3.534 10 5 DHBERN O=[N+]([O-])c1cc(Br)cnc1Nc1ccccc1F ZINC000041562810 183202091 /nfs/dbraw/zinc/20/20/91/183202091.db2.gz NDRBCTOFECCDPB-UHFFFAOYSA-N 0 0 312.098 3.635 10 5 DHBERN COc1cccc(N[C@H]2CCCc3cc(N)ccc32)c1[N+](=O)[O-] ZINC000261963264 331721584 /nfs/dbraw/zinc/72/15/84/331721584.db2.gz YDDJGNXLHOZNNP-AWEZNQCLSA-N 0 0 313.357 3.675 10 5 DHBERN Cc1ccc2c(c1)[C@H](NC(=O)c1cccc(C)c1[N+](=O)[O-])[C@@H](C)C2 ZINC000182226981 333206040 /nfs/dbraw/zinc/20/60/40/333206040.db2.gz GXXRHERPFICQOW-SUMWQHHRSA-N 0 0 324.380 3.875 10 5 DHBERN CC[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)C(C)C ZINC000093433964 335652059 /nfs/dbraw/zinc/65/20/59/335652059.db2.gz LAJBCJAIRNPGSD-SNVBAGLBSA-N 0 0 302.172 3.599 10 5 DHBERN C[C@H](Nc1ncc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000302175645 336352440 /nfs/dbraw/zinc/35/24/40/336352440.db2.gz WWTXIJLEGZOIFL-ZETCQYMHSA-N 0 0 313.144 3.865 10 5 DHBERN CSc1cccc(C(=O)N[C@H](C)c2ccc(C)o2)c1[N+](=O)[O-] ZINC000188028876 337270238 /nfs/dbraw/zinc/27/02/38/337270238.db2.gz WHIHMXREDALKIH-SNVBAGLBSA-N 0 0 320.370 3.709 10 5 DHBERN CN(C)C(=O)c1ccccc1Oc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000584592826 337373546 /nfs/dbraw/zinc/37/35/46/337373546.db2.gz XMQIZAJGNVIYCW-UHFFFAOYSA-N 0 0 320.732 3.742 10 5 DHBERN C[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000124602740 337406554 /nfs/dbraw/zinc/40/65/54/337406554.db2.gz YANDRDBOZCVNAD-VIFPVBQESA-N 0 0 320.736 3.526 10 5 DHBERN CC[C@H](NC(=O)N1CC[C@@H](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000245869790 341316837 /nfs/dbraw/zinc/31/68/37/341316837.db2.gz GQLBZJPHUVXINM-WWGRRREGSA-N 0 0 319.405 3.733 10 5 DHBERN CC[C@H](NC(=O)Nc1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000157240076 522485163 /nfs/dbraw/zinc/48/51/63/522485163.db2.gz OGJARPINGCZACD-ZDUSSCGKSA-N 0 0 305.359 3.929 10 5 DHBERN CC[C@@H](NC(=O)CCCCSC)c1cccc([N+](=O)[O-])c1 ZINC000177793032 522673319 /nfs/dbraw/zinc/67/33/19/522673319.db2.gz KRDWPPZBWUVXON-CQSZACIVSA-N 0 0 310.419 3.695 10 5 DHBERN CCn1c2ccccc2nc1[C@@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000237220841 523291556 /nfs/dbraw/zinc/29/15/56/523291556.db2.gz UTQAHVPYXNOTIL-CYBMUJFWSA-N 0 0 324.384 3.815 10 5 DHBERN COCCC[C@@H](C)C(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000183187253 523463909 /nfs/dbraw/zinc/46/39/09/523463909.db2.gz WCYMHFOSSPRBOS-CHWSQXEVSA-N 0 0 309.362 3.570 10 5 DHBERN CC(=O)c1ccc(Oc2ncc([N+](=O)[O-])cc2C)c(Cl)c1 ZINC000120386080 534871894 /nfs/dbraw/zinc/87/18/94/534871894.db2.gz ADQGCAPHFKPMDY-UHFFFAOYSA-N 0 0 306.705 3.947 10 5 DHBERN Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])s2)o1 ZINC000127624460 525801798 /nfs/dbraw/zinc/80/17/98/525801798.db2.gz RMGUVUNMDUBTCK-NSHDSACASA-N 0 0 320.370 3.925 10 5 DHBERN COC(=O)c1cc(-c2ccnc3ccccc32)cc([N+](=O)[O-])c1 ZINC000384291418 563853066 /nfs/dbraw/zinc/85/30/66/563853066.db2.gz DKEAJDHNNKRVEW-UHFFFAOYSA-N 0 0 308.293 3.597 10 5 DHBERN Cc1cc(N2CC=C(c3cccs3)CC2)ncc1[N+](=O)[O-] ZINC000074764348 1022731933 /nfs/dbraw/zinc/73/19/33/1022731933.db2.gz QFUCJSVZHJBEEM-UHFFFAOYSA-N 0 0 301.371 3.653 10 5 DHBERN COc1cccc2occ(/C=C\c3ccc([N+](=O)[O-])cc3)c(=O)c12 ZINC000090554935 185303268 /nfs/dbraw/zinc/30/32/68/185303268.db2.gz AYOUWVKODHZEML-YVMONPNESA-N 0 0 323.304 3.880 10 5 DHBERN CCOC(=O)c1ccc(N[C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000226289397 201772107 /nfs/dbraw/zinc/77/21/07/201772107.db2.gz FDVDRBFLHMDCSD-AAEUAGOBSA-N 0 0 306.362 3.762 10 5 DHBERN O=[N+]([O-])c1ccc(-c2ccnc(N3CCc4ccccc43)n2)cc1 ZINC000072443426 191167219 /nfs/dbraw/zinc/16/72/19/191167219.db2.gz SNXDJOVKRRTADZ-UHFFFAOYSA-N 0 0 318.336 3.746 10 5 DHBERN O=C(Nc1nc2c(cccc2F)s1)c1ccccc1[N+](=O)[O-] ZINC000004331586 181098829 /nfs/dbraw/zinc/09/88/29/181098829.db2.gz PHKVNYGTYPFHOF-UHFFFAOYSA-N 0 0 317.301 3.596 10 5 DHBERN CC(C)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000005413881 181240534 /nfs/dbraw/zinc/24/05/34/181240534.db2.gz JLXXDQUWAHYHAB-UHFFFAOYSA-N 0 0 310.309 3.519 10 5 DHBERN Cc1nc2ccccc2n1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000005322936 181229819 /nfs/dbraw/zinc/22/98/19/181229819.db2.gz GRHNXAVYXHXULC-MDZDMXLPSA-N 0 0 307.309 3.607 10 5 DHBERN CC1(C)C=Cc2c(O)c3c(cc2O1)oc1c(O)cccc1c3=O ZINC000005762059 181281477 /nfs/dbraw/zinc/28/14/77/181281477.db2.gz NHNIESSJWQBRJW-UHFFFAOYSA-N 0 0 310.305 3.542 10 5 biogenic,in-vitro DHBERN CC(C)CC(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000005907307 181295258 /nfs/dbraw/zinc/29/52/58/181295258.db2.gz MDYRMXJVAPLFSU-UHFFFAOYSA-N 0 0 305.359 3.703 10 5 DHBERN Cc1cc2ncn(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2cc1C ZINC000006477891 181344227 /nfs/dbraw/zinc/34/42/27/181344227.db2.gz MBLCXOUHMGIESB-VMPITWQZSA-N 0 0 321.336 3.915 10 5 DHBERN CC1CCN(C(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000006634545 181363346 /nfs/dbraw/zinc/36/33/46/181363346.db2.gz GQHAWEOYXUGWKI-UHFFFAOYSA-N 0 0 314.341 3.727 10 5 DHBERN O=C(Nc1ccc(F)c(Cl)c1)c1ccc(F)c([N+](=O)[O-])c1 ZINC000007132539 181441957 /nfs/dbraw/zinc/44/19/57/181441957.db2.gz WVHHMCWYIHEAPS-UHFFFAOYSA-N 0 0 312.659 3.779 10 5 DHBERN Cc1cccc(NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000007143500 181442286 /nfs/dbraw/zinc/44/22/86/181442286.db2.gz WGVCANKGUCJBSK-UHFFFAOYSA-N 0 0 322.777 3.761 10 5 DHBERN O=C(c1ccc(Cl)cc1)[C@@H]1C([N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000016892055 182062279 /nfs/dbraw/zinc/06/22/79/182062279.db2.gz SJNSSSKLWCVCGM-ILXRZTDVSA-N 0 0 301.729 3.582 10 5 DHBERN CCCC(=O)CCc1ccc([N+](=O)[O-])cc1Br ZINC000037516532 182903468 /nfs/dbraw/zinc/90/34/68/182903468.db2.gz VISPWIKOVFHKPJ-UHFFFAOYSA-N 0 0 300.152 3.659 10 5 DHBERN O=[N+]([O-])c1cccc(-c2cn3cc(Br)sc3n2)c1 ZINC000039325785 183017209 /nfs/dbraw/zinc/01/72/09/183017209.db2.gz UYTNZUXJGMAMAD-UHFFFAOYSA-N 0 0 324.159 3.734 10 5 DHBERN CC(C)CN(CC(C)C)c1ncnc(NC(C)(C)C)c1[N+](=O)[O-] ZINC000040581603 183105211 /nfs/dbraw/zinc/10/52/11/183105211.db2.gz LEUBUNVXYPUZFF-UHFFFAOYSA-N 0 0 323.441 3.714 10 5 DHBERN CCNc1ncnc(Nc2cc(Cl)ccc2C)c1[N+](=O)[O-] ZINC000040592445 183106885 /nfs/dbraw/zinc/10/68/85/183106885.db2.gz DTNIPPIHMHMUMK-UHFFFAOYSA-N 0 0 307.741 3.522 10 5 DHBERN O=[N+]([O-])c1c(NC2CCCCC2)ncnc1NC1CCCCC1 ZINC000040597867 183107294 /nfs/dbraw/zinc/10/72/94/183107294.db2.gz AMQYEEGDHZIYSA-UHFFFAOYSA-N 0 0 319.409 3.874 10 5 DHBERN CCN(CC)c1ncnc(NCCC2=CCCCC2)c1[N+](=O)[O-] ZINC000040607975 183107788 /nfs/dbraw/zinc/10/77/88/183107788.db2.gz WGKZUPRZEOWZGY-UHFFFAOYSA-N 0 0 319.409 3.533 10 5 DHBERN CN(c1ccccc1)c1ncnc(Nc2ccccc2)c1[N+](=O)[O-] ZINC000040625341 183110642 /nfs/dbraw/zinc/11/06/42/183110642.db2.gz VZBDEBCVZDETMP-UHFFFAOYSA-N 0 0 321.340 3.896 10 5 DHBERN CCc1nn(C)c(N[C@H](C)c2ccccc2Cl)c1[N+](=O)[O-] ZINC000091561070 331918924 /nfs/dbraw/zinc/91/89/24/331918924.db2.gz XDZAFTDNCCWUFP-SECBINFHSA-N 0 0 308.769 3.717 10 5 DHBERN Cc1ccc([C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000088233867 332047904 /nfs/dbraw/zinc/04/79/04/332047904.db2.gz JZBHPCTURACKRV-NSHDSACASA-N 0 0 302.305 3.533 10 5 DHBERN COc1ccc([N+](=O)[O-])c(N[C@@H]2CCCc3cc(N)ccc32)c1 ZINC000261607474 332316056 /nfs/dbraw/zinc/31/60/56/332316056.db2.gz ANTXFAOTLOWTOA-OAHLLOKOSA-N 0 0 313.357 3.675 10 5 DHBERN Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc(C)c1[N+](=O)[O-])[C@H](C)C2 ZINC000182226961 333205907 /nfs/dbraw/zinc/20/59/07/333205907.db2.gz GXXRHERPFICQOW-DYVFJYSZSA-N 0 0 324.380 3.875 10 5 DHBERN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(F)cc1[N+](=O)[O-] ZINC000158789376 338506467 /nfs/dbraw/zinc/50/64/67/338506467.db2.gz LBERMAOEZDGQKB-OAHLLOKOSA-N 0 0 314.316 3.541 10 5 DHBERN COC(=O)c1cc(NC/C=C/c2ccccc2)ccc1[N+](=O)[O-] ZINC000301225667 336295682 /nfs/dbraw/zinc/29/56/82/336295682.db2.gz FTCINPIPVLTDLA-VMPITWQZSA-N 0 0 312.325 3.507 10 5 DHBERN O=[N+]([O-])c1ccc(N2CCC[C@@H](COc3ccccc3)C2)cc1 ZINC000301282727 336298641 /nfs/dbraw/zinc/29/86/41/336298641.db2.gz LHIHITPUQGPQJQ-OAHLLOKOSA-N 0 0 312.369 3.890 10 5 DHBERN COC(=O)c1cc(N(C)[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000301498333 336310425 /nfs/dbraw/zinc/31/04/25/336310425.db2.gz CIYONEXZCUJDFG-LBPRGKRZSA-N 0 0 314.341 3.579 10 5 DHBERN CCc1cnc([C@@H](C)Nc2ccc(C(C)=O)cc2[N+](=O)[O-])s1 ZINC000301510223 336311489 /nfs/dbraw/zinc/31/14/89/336311489.db2.gz ANBIWDLZSVJLNC-SECBINFHSA-N 0 0 319.386 3.989 10 5 DHBERN O=[N+]([O-])c1ccc(N2CC[C@@H]3CCCC[C@H]32)cc1OC(F)F ZINC000301582687 336316440 /nfs/dbraw/zinc/31/64/40/336316440.db2.gz QEJOCONHMJDOHI-CMPLNLGQSA-N 0 0 312.316 3.965 10 5 DHBERN CCOC(=O)c1cc(N2CC[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000301634443 336319668 /nfs/dbraw/zinc/31/96/68/336319668.db2.gz VTPRUVVUOOWWBT-WFASDCNBSA-N 0 0 318.373 3.540 10 5 DHBERN Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000301680682 336322924 /nfs/dbraw/zinc/32/29/24/336322924.db2.gz UXSWOGORCOWZMR-ZDUSSCGKSA-N 0 0 323.356 3.657 10 5 DHBERN Cc1ccc(N2CCC(Oc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000301830270 336332816 /nfs/dbraw/zinc/33/28/16/336332816.db2.gz RRTKWUNUBGDEQU-UHFFFAOYSA-N 0 0 312.369 3.951 10 5 DHBERN Cc1cc([N+](=O)[O-])cc(Cl)c1NCc1ccnc(N(C)C)c1 ZINC000302658922 336363765 /nfs/dbraw/zinc/36/37/65/336363765.db2.gz HWHIXYVNNDYJFP-UHFFFAOYSA-N 0 0 320.780 3.630 10 5 DHBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000302819149 336370404 /nfs/dbraw/zinc/37/04/04/336370404.db2.gz JGBJAWMPFKYYTG-LRDDRELGSA-N 0 0 324.808 3.688 10 5 DHBERN CC(C)CCOC1CCN(c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302820725 336370558 /nfs/dbraw/zinc/37/05/58/336370558.db2.gz PRCLMOPEVXRNLP-UHFFFAOYSA-N 0 0 310.369 3.765 10 5 DHBERN C[C@H](Nc1cc(F)ccc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000302870339 336372655 /nfs/dbraw/zinc/37/26/55/336372655.db2.gz YGEUDDIGRWBAKD-VIFPVBQESA-N 0 0 300.293 3.783 10 5 DHBERN C[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000159583434 338528638 /nfs/dbraw/zinc/52/86/38/338528638.db2.gz KWXAUIQJFMIOOF-SECBINFHSA-N 0 0 322.723 3.878 10 5 DHBERN Cc1c(Br)c(N[C@@H](C)C(C)C)ncc1[N+](=O)[O-] ZINC000165717210 339052963 /nfs/dbraw/zinc/05/29/63/339052963.db2.gz BCMJXQJTIVFWJY-QMMMGPOBSA-N 0 0 302.172 3.517 10 5 DHBERN CCS[C@H]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000230922639 340621394 /nfs/dbraw/zinc/62/13/94/340621394.db2.gz STUILHCRDXGFLL-SCZZXKLOSA-N 0 0 301.799 3.729 10 5 DHBERN Cc1occc1Sc1ncc(Br)cc1[N+](=O)[O-] ZINC000227586037 526829884 /nfs/dbraw/zinc/82/98/84/526829884.db2.gz OKQFJFZSZUCBCK-UHFFFAOYSA-N 0 0 315.148 3.805 10 5 DHBERN CC[C@@H](Nc1nccn2nc(C)cc12)c1cccc([N+](=O)[O-])c1 ZINC000274901771 535810166 /nfs/dbraw/zinc/81/01/66/535810166.db2.gz LKACJBFGGZROON-CQSZACIVSA-N 0 0 311.345 3.509 10 5 DHBERN CCCCCCC(=O)Nc1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000085210445 563567934 /nfs/dbraw/zinc/56/79/34/563567934.db2.gz YXDVLGUASFCBKD-UHFFFAOYSA-N 0 0 318.329 3.610 10 5 DHBERN O=[N+]([O-])c1ccc(OCC(F)(F)[C@@H](F)C(F)(F)F)cc1 ZINC000098210988 563570258 /nfs/dbraw/zinc/57/02/58/563570258.db2.gz JNAMJQFNUUZLJK-MRVPVSSYSA-N 0 0 303.158 3.509 10 5 DHBERN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000005550690 181256175 /nfs/dbraw/zinc/25/61/75/181256175.db2.gz SYDCVDLKCYHZOJ-JTQLQIEISA-N 0 0 304.733 3.739 10 5 DHBERN O=C(Nc1cccnc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000006615386 181361296 /nfs/dbraw/zinc/36/12/96/181361296.db2.gz BELCAOYQSFNEIA-UHFFFAOYSA-N 0 0 309.281 3.502 10 5 DHBERN CC(C)Oc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000008570291 181565348 /nfs/dbraw/zinc/56/53/48/181565348.db2.gz FBJDYSLVUGGOJW-UHFFFAOYSA-N 0 0 300.314 3.634 10 5 DHBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccccc1OC(C)C ZINC000014663982 181964433 /nfs/dbraw/zinc/96/44/33/181964433.db2.gz UHWQUUHIZGLKOK-UHFFFAOYSA-N 0 0 314.341 3.943 10 5 DHBERN CC(C)(C)c1cccc(-n2nc(N)c3cc([N+](=O)[O-])ccc32)c1 ZINC000098178435 193791250 /nfs/dbraw/zinc/79/12/50/193791250.db2.gz HUSBZBGIIMNOFC-UHFFFAOYSA-N 0 0 310.357 3.813 10 5 DHBERN O=[N+]([O-])c1ccc(COc2cccc(O)c2)c(Br)c1 ZINC000037516529 182903532 /nfs/dbraw/zinc/90/35/32/182903532.db2.gz BKHUOLUYPRHQFJ-UHFFFAOYSA-N 0 0 324.130 3.642 10 5 DHBERN O=[N+]([O-])c1c(Cl)ncnc1Nc1cccc(C(F)(F)F)c1 ZINC000040571321 183104649 /nfs/dbraw/zinc/10/46/49/183104649.db2.gz FAGOEYKHWFUATH-UHFFFAOYSA-N 0 0 318.642 3.801 10 5 DHBERN CCCCc1ccc(Nc2ncnc(N(C)C)c2[N+](=O)[O-])cc1 ZINC000040581051 183105109 /nfs/dbraw/zinc/10/51/09/183105109.db2.gz LDYOJEIHAWPQBO-UHFFFAOYSA-N 0 0 315.377 3.537 10 5 DHBERN Cc1cc(Cl)ccc1Nc1ncnc(OC(C)C)c1[N+](=O)[O-] ZINC000040590647 183105669 /nfs/dbraw/zinc/10/56/69/183105669.db2.gz GMVKGBHKLMVSBJ-UHFFFAOYSA-N 0 0 322.752 3.877 10 5 DHBERN CCOc1ncnc(Nc2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000040594734 183106930 /nfs/dbraw/zinc/10/69/30/183106930.db2.gz FFHDGXZBCUNELF-UHFFFAOYSA-N 0 0 302.334 3.651 10 5 DHBERN CCN(CC)c1ncnc(Sc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000040608088 183109123 /nfs/dbraw/zinc/10/91/23/183109123.db2.gz GNHBUPADDQNWBQ-UHFFFAOYSA-N 0 0 318.402 3.691 10 5 DHBERN CCc1nn(C)c(N[C@@H](C)c2ccccc2Cl)c1[N+](=O)[O-] ZINC000091561069 331918836 /nfs/dbraw/zinc/91/88/36/331918836.db2.gz XDZAFTDNCCWUFP-VIFPVBQESA-N 0 0 308.769 3.717 10 5 DHBERN Cc1ccc([C@@H](C)NC(=O)c2csc([N+](=O)[O-])c2)cc1F ZINC000088234768 332048005 /nfs/dbraw/zinc/04/80/05/332048005.db2.gz ANNZRFBQCYUGSJ-SECBINFHSA-N 0 0 308.334 3.595 10 5 DHBERN COc1ccc([N+](=O)[O-])c(N[C@H]2CCCc3cc(N)ccc32)c1 ZINC000261607473 332316075 /nfs/dbraw/zinc/31/60/75/332316075.db2.gz ANTXFAOTLOWTOA-HNNXBMFYSA-N 0 0 313.357 3.675 10 5 DHBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)c1cccs1 ZINC000188837570 334874410 /nfs/dbraw/zinc/87/44/10/334874410.db2.gz ASPMXXZVTRGFPO-SNVBAGLBSA-N 0 0 305.359 3.847 10 5 DHBERN O=[N+]([O-])c1ccc(N2CCC[C@H](COc3ccccc3)C2)cc1 ZINC000301282725 336298579 /nfs/dbraw/zinc/29/85/79/336298579.db2.gz LHIHITPUQGPQJQ-HNNXBMFYSA-N 0 0 312.369 3.890 10 5 DHBERN Cc1csc(CN(C)c2ccc3cc([N+](=O)[O-])ccc3n2)n1 ZINC000301284412 336298724 /nfs/dbraw/zinc/29/87/24/336298724.db2.gz LXGTVXVRPRYUJR-UHFFFAOYSA-N 0 0 314.370 3.544 10 5 DHBERN CCS[C@H]1CC[C@@H](Nc2cc(OC)cc(F)c2[N+](=O)[O-])C1 ZINC000301486731 336309921 /nfs/dbraw/zinc/30/99/21/336309921.db2.gz XVYQWDYMFKHLPQ-KOLCDFICSA-N 0 0 314.382 3.829 10 5 DHBERN Cn1c(CNc2cccc(F)c2[N+](=O)[O-])cc(Cl)c1Cl ZINC000301653735 336320999 /nfs/dbraw/zinc/32/09/99/336320999.db2.gz RFRKIXLQEDMLIT-UHFFFAOYSA-N 0 0 318.135 3.991 10 5 DHBERN Cc1ccnc(NCc2cc(Cl)c(Cl)n2C)c1[N+](=O)[O-] ZINC000301665790 336321958 /nfs/dbraw/zinc/32/19/58/336321958.db2.gz WMJBWIWJBYSRHL-UHFFFAOYSA-N 0 0 315.160 3.556 10 5 DHBERN CO[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000301791990 336330152 /nfs/dbraw/zinc/33/01/52/336330152.db2.gz RNCSEYCDLJIOTM-MWLCHTKSSA-N 0 0 316.304 3.566 10 5 DHBERN CCOc1cc(NC[C@@H](C)Nc2ccccc2)ccc1[N+](=O)[O-] ZINC000301953122 336339670 /nfs/dbraw/zinc/33/96/70/336339670.db2.gz JEFFWXFNAXQNIJ-CYBMUJFWSA-N 0 0 315.373 3.906 10 5 DHBERN Cc1ccc([C@H](C)CNc2cc(CO)ccc2[N+](=O)[O-])cc1 ZINC000302014183 336343161 /nfs/dbraw/zinc/34/31/61/336343161.db2.gz BMSDHQGTZZCQSA-CYBMUJFWSA-N 0 0 300.358 3.611 10 5 DHBERN Cc1ccc(C[C@H](C)Nc2cc(CO)ccc2[N+](=O)[O-])c(C)c1 ZINC000302022252 336343617 /nfs/dbraw/zinc/34/36/17/336343617.db2.gz GCQUUWBFBRFGAN-AWEZNQCLSA-N 0 0 314.385 3.747 10 5 DHBERN Cc1cc(N2CCS[C@H](C)[C@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000302026072 336343935 /nfs/dbraw/zinc/34/39/35/336343935.db2.gz QGCKXAOPLMBKPX-VXGBXAGGSA-N 0 0 317.414 3.782 10 5 DHBERN O=[N+]([O-])c1ccc(F)cc1NC[C@H]1CCN(c2ccccc2)C1 ZINC000302823508 336370665 /nfs/dbraw/zinc/37/06/65/336370665.db2.gz UZKUIWFZCMMECM-CYBMUJFWSA-N 0 0 315.348 3.672 10 5 DHBERN CCc1ccc(C(=O)N2CCC[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000173432954 337135315 /nfs/dbraw/zinc/13/53/15/337135315.db2.gz ACZQASALUARGAK-AWEZNQCLSA-N 0 0 314.341 3.728 10 5 DHBERN CSc1cccc(C(=O)N[C@@H](C)c2cccs2)c1[N+](=O)[O-] ZINC000185986294 337253732 /nfs/dbraw/zinc/25/37/32/337253732.db2.gz PKIYICMWJSUGGB-VIFPVBQESA-N 0 0 322.411 3.869 10 5 DHBERN O=c1cc(Nc2ccc3cc4ccccc4cc3c2)[nH]c(=O)[nH]1 ZINC000584623063 337375196 /nfs/dbraw/zinc/37/51/96/337375196.db2.gz BIPMQVHMNSLKDV-UHFFFAOYSA-N 0 0 303.321 3.938 10 5 DHBERN CCOC(=O)c1c2cc([N+](=O)[O-])ccc2n(C)c1-c1ccccc1 ZINC000584653967 337377753 /nfs/dbraw/zinc/37/77/53/337377753.db2.gz YDFHADYCRORBSP-UHFFFAOYSA-N 0 0 324.336 3.930 10 5 DHBERN Cc1cc(=O)n(-c2ccccc2[N+](=O)[O-])cc1-c1ccc(F)cc1 ZINC000584653966 337377760 /nfs/dbraw/zinc/37/77/60/337377760.db2.gz XYWMMBKELIZDNX-UHFFFAOYSA-N 0 0 324.311 3.860 10 5 DHBERN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1ccco1 ZINC000116045504 337392278 /nfs/dbraw/zinc/39/22/78/337392278.db2.gz UYZBWCFSUAOLRR-JOZWUWCOSA-N 0 0 312.325 3.565 10 5 DHBERN C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000159565743 338528334 /nfs/dbraw/zinc/52/83/34/338528334.db2.gz ZLCODBLBSSLCPP-VIFPVBQESA-N 0 0 322.723 3.878 10 5 DHBERN Cc1ccc2c(c1)[C@@H](NC(=O)c1c(C)cccc1[N+](=O)[O-])[C@@H](C)C2 ZINC000192457789 340567046 /nfs/dbraw/zinc/56/70/46/340567046.db2.gz LZOSLGRWFDGQPO-UGSOOPFHSA-N 0 0 324.380 3.875 10 5 DHBERN CC1CC(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000543855094 341061735 /nfs/dbraw/zinc/06/17/35/341061735.db2.gz YISNHKRLWFILLU-UHFFFAOYSA-N 0 0 302.252 3.598 10 5 DHBERN CN(C(=O)[C@@H]1C[C@H]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000132223364 341118714 /nfs/dbraw/zinc/11/87/14/341118714.db2.gz KAYGSSLBASLOOJ-JKSUJKDBSA-N 0 0 302.374 3.774 10 5 DHBERN CCC1CCC(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000074385688 341145068 /nfs/dbraw/zinc/14/50/68/341145068.db2.gz GTQQPWUIAORCCF-UHFFFAOYSA-N 0 0 310.781 3.947 10 5 DHBERN CCCCc1nc(CN[C@@H](CC)c2cccc([N+](=O)[O-])c2)no1 ZINC000181547187 521303915 /nfs/dbraw/zinc/30/39/15/521303915.db2.gz PUXTZJYPTLUSTE-AWEZNQCLSA-N 0 0 318.377 3.561 10 5 DHBERN Cc1ccc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])s2)o1 ZINC000127624703 525995944 /nfs/dbraw/zinc/99/59/44/525995944.db2.gz RMGUVUNMDUBTCK-LLVKDONJSA-N 0 0 320.370 3.925 10 5 DHBERN COc1cccc2oc(-c3cccc([N+](=O)[O-])c3C)cc(=O)c12 ZINC000090554949 185303116 /nfs/dbraw/zinc/30/31/16/185303116.db2.gz PJJCYRBFKFECBO-UHFFFAOYSA-N 0 0 311.293 3.685 10 5 DHBERN C[C@@H](O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000226273752 201770436 /nfs/dbraw/zinc/77/04/36/201770436.db2.gz XXCRFRBEWWIWIP-SECBINFHSA-N 0 0 320.732 3.554 10 5 DHBERN O=[N+]([O-])c1cccc(C2N=NC(=S)N2C2CCCCC2)c1 ZINC000005671451 181270136 /nfs/dbraw/zinc/27/01/36/181270136.db2.gz SGPOMVMQJZBKSX-UHFFFAOYSA-N 0 0 304.375 3.647 10 5 DHBERN Cc1cc2ncn(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2cc1C ZINC000005681000 181271312 /nfs/dbraw/zinc/27/13/12/181271312.db2.gz PFFJESRQWKCQKF-VOTSOKGWSA-N 0 0 321.336 3.915 10 5 DHBERN CCc1c[nH]c(=O)c([N+](=O)[O-])c1Sc1cc(C)cc(C)c1 ZINC000005886955 181293029 /nfs/dbraw/zinc/29/30/29/181293029.db2.gz BHESGCXYMVULHF-UHFFFAOYSA-N 0 0 304.371 3.614 10 5 DHBERN C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(Cl)cc1 ZINC000006124184 181314605 /nfs/dbraw/zinc/31/46/05/181314605.db2.gz BHUPWWMGQOVAOQ-JTQLQIEISA-N 0 0 305.717 3.898 10 5 DHBERN O=[N+]([O-])c1c2nonc2ccc1Nc1cc(F)cc(Cl)c1 ZINC000095596639 193447571 /nfs/dbraw/zinc/44/75/71/193447571.db2.gz CDQUJZKBRAFWNG-UHFFFAOYSA-N 0 0 308.656 3.667 10 5 in-vitro DHBERN O=[N+]([O-])c1cccc(NC(=S)Nc2cc(F)ccc2F)c1 ZINC000013787661 181896642 /nfs/dbraw/zinc/89/66/42/181896642.db2.gz JXPPPXQKZZSZEG-UHFFFAOYSA-N 0 0 309.297 3.682 10 5 DHBERN CC[C@@H]1CCCCN1C(=S)Nc1ccc([N+](=O)[O-])cc1OC ZINC000013829350 181904451 /nfs/dbraw/zinc/90/44/51/181904451.db2.gz GCICFQQQGXRYSP-LLVKDONJSA-N 0 0 323.418 3.565 10 5 DHBERN CC(C)CN(CC(C)C)C(=S)Nc1cccc([N+](=O)[O-])c1 ZINC000013824434 181903251 /nfs/dbraw/zinc/90/32/51/181903251.db2.gz OJEUQWPUKIVDGA-UHFFFAOYSA-N 0 0 309.435 3.906 10 5 DHBERN CC(C)(C)c1ccc(-n2nc(N)c3cc([N+](=O)[O-])ccc32)cc1 ZINC000098178434 193791459 /nfs/dbraw/zinc/79/14/59/193791459.db2.gz FTSFCMZVKOGTQG-UHFFFAOYSA-N 0 0 310.357 3.813 10 5 DHBERN O=[N+]([O-])c1ccc(-c2nnc(Nc3ccc(F)cc3)s2)cc1 ZINC000028639334 182532253 /nfs/dbraw/zinc/53/22/53/182532253.db2.gz UUKJBCHREVKSLX-UHFFFAOYSA-N 0 0 316.317 3.996 10 5 DHBERN Cc1ccsc1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000037976176 182947897 /nfs/dbraw/zinc/94/78/97/182947897.db2.gz CQYUMFDXSVNHIS-UHFFFAOYSA-N 0 0 324.789 3.890 10 5 DHBERN O=[N+]([O-])c1c(Oc2ccccc2)ncnc1OC1CCCCC1 ZINC000040659760 183114877 /nfs/dbraw/zinc/11/48/77/183114877.db2.gz LJXHSUVMMIIIAV-UHFFFAOYSA-N 0 0 315.329 3.889 10 5 DHBERN CCCNc1ncnc(Nc2cccc(Cl)c2C)c1[N+](=O)[O-] ZINC000040588389 183105979 /nfs/dbraw/zinc/10/59/79/183105979.db2.gz ZYSCGUSQNGZIKL-UHFFFAOYSA-N 0 0 321.768 3.912 10 5 DHBERN CCCNc1ncnc(Nc2ccccc2Cl)c1[N+](=O)[O-] ZINC000040596922 183107305 /nfs/dbraw/zinc/10/73/05/183107305.db2.gz YSBCLVTYBMHCTQ-UHFFFAOYSA-N 0 0 307.741 3.604 10 5 DHBERN O=[N+]([O-])c1c(NCc2ccccc2)ncnc1Oc1ccccc1 ZINC000040599510 183107915 /nfs/dbraw/zinc/10/79/15/183107915.db2.gz BXFSPZJZXDTCLF-UHFFFAOYSA-N 0 0 322.324 3.789 10 5 DHBERN CCN(CC)c1ncnc(Nc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000040608064 183108731 /nfs/dbraw/zinc/10/87/31/183108731.db2.gz XWGJJEPGDZYKEE-UHFFFAOYSA-N 0 0 321.768 3.628 10 5 DHBERN CCCCc1nn2cc(-c3cccc([N+](=O)[O-])c3)nc2s1 ZINC000040963683 183152198 /nfs/dbraw/zinc/15/21/98/183152198.db2.gz JYSQPODKFQGBDH-UHFFFAOYSA-N 0 0 302.359 3.709 10 5 DHBERN CC(C)C[C@@H](C)N(C)c1ncc(Br)cc1[N+](=O)[O-] ZINC000042599749 183289685 /nfs/dbraw/zinc/28/96/85/183289685.db2.gz BQDNOQOVOZNSRW-SECBINFHSA-N 0 0 316.199 3.623 10 5 DHBERN O=C1CCc2cc([N+](=O)[O-])c(Oc3c(F)cccc3F)cc2N1 ZINC000170639276 332859878 /nfs/dbraw/zinc/85/98/78/332859878.db2.gz YKWVCNWKLNUBIY-UHFFFAOYSA-N 0 0 320.251 3.550 10 5 DHBERN C[C@@H](Nc1ncc(Br)cc1[N+](=O)[O-])c1ccco1 ZINC000048552566 334739342 /nfs/dbraw/zinc/73/93/42/334739342.db2.gz RTZKDONKHKNVKJ-SSDOTTSWSA-N 0 0 312.123 3.518 10 5 DHBERN C[S@@](=O)Cc1cc(Nc2ccccc2[N+](=O)[O-])ccc1Cl ZINC000301281769 336298534 /nfs/dbraw/zinc/29/85/34/336298534.db2.gz KHQSMAMPADYINO-OAQYLSRUSA-N 0 0 324.789 3.870 10 5 DHBERN O=[N+]([O-])c1cnc(NC[C@H]2C[C@H]2c2ccccc2)c(Cl)c1 ZINC000301295208 336299417 /nfs/dbraw/zinc/29/94/17/336299417.db2.gz XBEWLPYZFMHSPC-YPMHNXCESA-N 0 0 303.749 3.859 10 5 DHBERN O=[N+]([O-])c1ccc(N[C@H]2CCC[C@@H]2c2ccc(F)cc2)nc1 ZINC000301450200 336307570 /nfs/dbraw/zinc/30/75/70/336307570.db2.gz WZYDIDVZKUFFCU-CABCVRRESA-N 0 0 301.321 3.877 10 5 DHBERN CO[C@@H](C)c1nc(CN(C)c2c(C)cccc2[N+](=O)[O-])cs1 ZINC000301513879 336311801 /nfs/dbraw/zinc/31/18/01/336311801.db2.gz BIFYCXBHTRNTGO-NSHDSACASA-N 0 0 321.402 3.704 10 5 DHBERN CO[C@H](C)c1nc(CN(C)c2ccc([N+](=O)[O-])cc2C)cs1 ZINC000301551330 336314260 /nfs/dbraw/zinc/31/42/60/336314260.db2.gz MGRXJWFPTSKYBF-LLVKDONJSA-N 0 0 321.402 3.704 10 5 DHBERN CC(C)c1nnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000301796297 336330521 /nfs/dbraw/zinc/33/05/21/336330521.db2.gz YUQBBQVWHZVJHN-UHFFFAOYSA-N 0 0 318.402 3.739 10 5 DHBERN CCS[C@@H]1CCC[C@H](Nc2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302014111 336343226 /nfs/dbraw/zinc/34/32/26/336343226.db2.gz BLPHYCZNAUXXOU-QWHCGFSZSA-N 0 0 310.419 3.563 10 5 DHBERN O=[N+]([O-])c1ccc(CO)cc1N[C@H]1CCCc2ccc(F)cc21 ZINC000302067212 336346655 /nfs/dbraw/zinc/34/66/55/336346655.db2.gz URRRCVAIAQTMRO-HNNXBMFYSA-N 0 0 316.332 3.716 10 5 DHBERN O=[N+]([O-])c1ccc(Cl)c(CN2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000172180668 337090259 /nfs/dbraw/zinc/09/02/59/337090259.db2.gz WGBXWSWBHFQWIJ-OAHLLOKOSA-N 0 0 320.780 3.699 10 5 DHBERN COc1ccccc1[C@H](C[N+](=O)[O-])c1c(O)ccc2ccccc21 ZINC000584655840 337377839 /nfs/dbraw/zinc/37/78/39/337377839.db2.gz UNQYHQSAEBWULB-INIZCTEOSA-N 0 0 323.348 3.963 10 5 DHBERN CSc1ccc2[nH]c3c([N+](=O)[O-])ccc(Cl)c3c(=O)c2c1 ZINC000584640778 337379969 /nfs/dbraw/zinc/37/99/69/337379969.db2.gz WDWHHCOAHWRXHO-UHFFFAOYSA-N 0 0 320.757 3.965 10 5 DHBERN CC[C@@H](NC(=O)N(CC)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000176685094 340430143 /nfs/dbraw/zinc/43/01/43/340430143.db2.gz LOTPGTHVVWPDJJ-OAHLLOKOSA-N 0 0 307.394 3.733 10 5 DHBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCC1=CCOCC1 ZINC000158031009 527327708 /nfs/dbraw/zinc/32/77/08/527327708.db2.gz WBYZPIQAXMFYNL-UHFFFAOYSA-N 0 0 316.279 3.762 10 5 DHBERN O=[N+]([O-])c1cnc2c(OCC(F)(F)F)cccc2c1Cl ZINC000098061844 563522659 /nfs/dbraw/zinc/52/26/59/563522659.db2.gz KLIGYWONQCZRGU-UHFFFAOYSA-N 0 0 306.627 3.738 10 5 DHBERN COC(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000226257115 563913189 /nfs/dbraw/zinc/91/31/89/563913189.db2.gz ICQPEPOWEPPRTB-QPJJXVBHSA-N 0 0 307.689 3.694 10 5 DHBERN O=C(N(Cc1ccccc1)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000006223059 181320936 /nfs/dbraw/zinc/32/09/36/181320936.db2.gz GXTGCTXWYLULPQ-UHFFFAOYSA-N 0 0 324.258 3.690 10 5 DHBERN O=[N+]([O-])c1c(NC2CCCC2)ncnc1Sc1ccccc1 ZINC000040650156 183114421 /nfs/dbraw/zinc/11/44/21/183114421.db2.gz DGXJDXJKAHRGFX-UHFFFAOYSA-N 0 0 316.386 3.891 10 5 DHBERN CC(C)(C)Nc1ncnc(Nc2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000040581882 183105350 /nfs/dbraw/zinc/10/53/50/183105350.db2.gz TZFDUWGXQSJEOB-UHFFFAOYSA-N 0 0 323.303 3.617 10 5 DHBERN CCc1ccccc1Nc1ncnc(N(CC)CC)c1[N+](=O)[O-] ZINC000040586997 183106047 /nfs/dbraw/zinc/10/60/47/183106047.db2.gz ONEXMGFWMIIVRQ-UHFFFAOYSA-N 0 0 315.377 3.537 10 5 DHBERN CCCNc1ncnc(Nc2ccc(Cl)cc2C)c1[N+](=O)[O-] ZINC000040590354 183106236 /nfs/dbraw/zinc/10/62/36/183106236.db2.gz DOVBRIQRFTWBTH-UHFFFAOYSA-N 0 0 321.768 3.912 10 5 DHBERN CCCNc1ncnc(Oc2ccc(CC)cc2)c1[N+](=O)[O-] ZINC000040597218 183107217 /nfs/dbraw/zinc/10/72/17/183107217.db2.gz DSBFVUAHIQFJIG-UHFFFAOYSA-N 0 0 302.334 3.561 10 5 DHBERN Cc1cccc(Nc2ncnc(OC(C)C)c2[N+](=O)[O-])c1C ZINC000040620719 183109491 /nfs/dbraw/zinc/10/94/91/183109491.db2.gz LJXOBBNTAVGANQ-UHFFFAOYSA-N 0 0 302.334 3.532 10 5 DHBERN CCCSc1nn2cc(-c3ccc([N+](=O)[O-])cc3)nc2s1 ZINC000040965225 183152096 /nfs/dbraw/zinc/15/20/96/183152096.db2.gz TWDHALWZJGRVNC-UHFFFAOYSA-N 0 0 320.399 3.868 10 5 DHBERN CC(C)c1cccc(OCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000040866310 183144644 /nfs/dbraw/zinc/14/46/44/183144644.db2.gz YTNOCGVPUSHLRS-UHFFFAOYSA-N 0 0 314.341 3.736 10 5 DHBERN Cc1cc(C)c(C)c(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000040868596 183145076 /nfs/dbraw/zinc/14/50/76/183145076.db2.gz ALXGFZJZGPLHOP-UHFFFAOYSA-N 0 0 314.341 3.538 10 5 DHBERN Cc1cc(C)c(C)c(OCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000040868594 183145452 /nfs/dbraw/zinc/14/54/52/183145452.db2.gz CZHDNLOHNOLWBM-UHFFFAOYSA-N 0 0 314.341 3.538 10 5 DHBERN O=[N+]([O-])c1ccccc1CCOc1ccccc1Br ZINC000062726667 184250761 /nfs/dbraw/zinc/25/07/61/184250761.db2.gz KVLMCTKZNIMXPM-UHFFFAOYSA-N 0 0 322.158 3.979 10 5 DHBERN CC(C)c1nc([C@H]2CCCN2c2cccc(F)c2[N+](=O)[O-])no1 ZINC000277258644 130595131 /nfs/dbraw/zinc/59/51/31/130595131.db2.gz QRWAZWBLXHZOEL-GFCCVEGCSA-N 0 0 320.324 3.582 10 5 DHBERN C[C@H]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000159622063 332679759 /nfs/dbraw/zinc/67/97/59/332679759.db2.gz GRBJGVLHXIONLU-UGSOOPFHSA-N 0 0 324.380 3.892 10 5 DHBERN O=[N+]([O-])c1cc(Br)ccc1N1C[C@H]2CC=CC[C@@H]2C1 ZINC000301458897 332973445 /nfs/dbraw/zinc/97/34/45/332973445.db2.gz ZNBOTVKHHYTMPW-GHMZBOCLSA-N 0 0 323.190 3.760 10 5 DHBERN Cc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@@H](C)C2 ZINC000182196882 333183397 /nfs/dbraw/zinc/18/33/97/333183397.db2.gz NODPTHJAPIZZBG-SJCJKPOMSA-N 0 0 310.353 3.567 10 5 DHBERN CCOCc1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000301468511 336308693 /nfs/dbraw/zinc/30/86/93/336308693.db2.gz ZHVFGDJMPUPRRG-UHFFFAOYSA-N 0 0 317.301 3.783 10 5 DHBERN C[C@H](Cc1cccs1)N(C)c1ncc([N+](=O)[O-])cc1Cl ZINC000301490479 336309982 /nfs/dbraw/zinc/30/99/82/336309982.db2.gz MKABQZJCAYEPFK-SECBINFHSA-N 0 0 311.794 3.772 10 5 DHBERN CO[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000301808097 336331395 /nfs/dbraw/zinc/33/13/95/336331395.db2.gz YYWIWTUBCIEMHF-RYUDHWBXSA-N 0 0 301.346 3.513 10 5 DHBERN C[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[C@H]1CCCO1 ZINC000301885830 336336270 /nfs/dbraw/zinc/33/62/70/336336270.db2.gz PMRGJZPXEUTNAY-SWLSCSKDSA-N 0 0 313.357 3.636 10 5 DHBERN Cc1cccc([N+](=O)[O-])c1NCc1cccc(-c2cnn(C)c2)c1 ZINC000301890972 336336573 /nfs/dbraw/zinc/33/65/73/336336573.db2.gz RCFOPJAJFSPPCH-UHFFFAOYSA-N 0 0 322.368 3.916 10 5 DHBERN CCc1csc([C@@H]2CCCN(c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000301998900 336342365 /nfs/dbraw/zinc/34/23/65/336342365.db2.gz VHMCOMFFLCAYSX-GFCCVEGCSA-N 0 0 317.414 3.998 10 5 DHBERN Cc1cc(N2CCS[C@@H](C)[C@@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000302026071 336343951 /nfs/dbraw/zinc/34/39/51/336343951.db2.gz QGCKXAOPLMBKPX-RYUDHWBXSA-N 0 0 317.414 3.782 10 5 DHBERN Cc1cc(NCCOCC(C)C)c2cccc([N+](=O)[O-])c2n1 ZINC000302043937 336345109 /nfs/dbraw/zinc/34/51/09/336345109.db2.gz XGLSCABSTISUJI-UHFFFAOYSA-N 0 0 303.362 3.536 10 5 DHBERN O=[N+]([O-])c1ccc(F)cc1NCCCc1nc2ccccc2[nH]1 ZINC000302794603 336369586 /nfs/dbraw/zinc/36/95/86/336369586.db2.gz ITDUUSYVNGCIMS-UHFFFAOYSA-N 0 0 314.320 3.655 10 5 DHBERN COc1cc(Oc2ccc(C)c(F)c2)c([N+](=O)[O-])cc1OC ZINC000302865030 336372431 /nfs/dbraw/zinc/37/24/31/336372431.db2.gz UAIDYMLDZSIQOE-UHFFFAOYSA-N 0 0 307.277 3.852 10 5 DHBERN O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc3ncccc3c2)s1 ZINC000584630665 337376857 /nfs/dbraw/zinc/37/68/57/337376857.db2.gz SRUVUDOPSBKTSA-UHFFFAOYSA-N 0 0 316.298 3.856 10 5 DHBERN COc1ccccc1[C@@H](C[N+](=O)[O-])c1c(O)ccc2ccccc21 ZINC000584655841 337377827 /nfs/dbraw/zinc/37/78/27/337377827.db2.gz UNQYHQSAEBWULB-MRXNPFEDSA-N 0 0 323.348 3.963 10 5 DHBERN CC[C@H](NC(=O)c1cccn1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000123672865 337400483 /nfs/dbraw/zinc/40/04/83/337400483.db2.gz NZVXTDMHYMPLQP-HNNXBMFYSA-N 0 0 315.373 3.858 10 5 DHBERN CCc1ccc(C(=O)N[C@@H](C)c2cccs2)cc1[N+](=O)[O-] ZINC000173264875 340361378 /nfs/dbraw/zinc/36/13/78/340361378.db2.gz HTQOQMLVJVYLQD-JTQLQIEISA-N 0 0 304.371 3.710 10 5 DHBERN CC[C@H](NC(=O)N(CC)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000176685084 340430165 /nfs/dbraw/zinc/43/01/65/340430165.db2.gz LOTPGTHVVWPDJJ-HNNXBMFYSA-N 0 0 307.394 3.733 10 5 DHBERN CC[C@@H](NC(=O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000177802000 340443771 /nfs/dbraw/zinc/44/37/71/340443771.db2.gz CEZFMVAHYJNIRF-OAHLLOKOSA-N 0 0 302.305 3.615 10 5 DHBERN CCS[C@@H]1CC[C@H](Nc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000227891139 521728031 /nfs/dbraw/zinc/72/80/31/521728031.db2.gz REIJVLZGTHUKLC-WCBMZHEXSA-N 0 0 302.346 3.959 10 5 DHBERN CCS[C@H]1CC[C@H](Nc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000227891144 521733100 /nfs/dbraw/zinc/73/31/00/521733100.db2.gz REIJVLZGTHUKLC-WPRPVWTQSA-N 0 0 302.346 3.959 10 5 DHBERN CCn1c2ccccc2nc1[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000237225753 523295534 /nfs/dbraw/zinc/29/55/34/523295534.db2.gz UTQAHVPYXNOTIL-ZDUSSCGKSA-N 0 0 324.384 3.815 10 5 DHBERN Cc1ccc([C@@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000156032824 525709774 /nfs/dbraw/zinc/70/97/74/525709774.db2.gz VIGFSBANYAQAOF-LLVKDONJSA-N 0 0 303.318 3.687 10 5 DHBERN Cc1cc(Br)c2ncc([N+](=O)[O-])c(Cl)c2c1 ZINC000165865337 563420950 /nfs/dbraw/zinc/42/09/50/563420950.db2.gz GZMLKLBBWJSQAO-UHFFFAOYSA-N 0 0 301.527 3.867 10 5 DHBERN O=C(Nc1ccc(O)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000006882821 181401202 /nfs/dbraw/zinc/40/12/02/181401202.db2.gz VIPMFHLWENXYJI-UHFFFAOYSA-N 0 0 324.292 3.813 10 5 DHBERN C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)c1cccc(Cl)c1 ZINC000010671482 181676732 /nfs/dbraw/zinc/67/67/32/181676732.db2.gz SUECOVZFADBKSQ-SNVBAGLBSA-N 0 0 305.717 3.898 10 5 DHBERN C[C@H]1Cc2ccccc2N1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000016022831 182029621 /nfs/dbraw/zinc/02/96/21/182029621.db2.gz XEEAPNYAKLWVPN-NHAQELONSA-N 0 0 308.337 3.586 10 5 DHBERN Cc1ccc(Nc2ncnc(Oc3cccnc3)c2[N+](=O)[O-])cc1 ZINC000040648993 183114030 /nfs/dbraw/zinc/11/40/30/183114030.db2.gz JWXQGUNHAXINGS-UHFFFAOYSA-N 0 0 323.312 3.624 10 5 DHBERN O=[N+]([O-])c1c(Nc2ccccc2)ncnc1OC1CCCCC1 ZINC000040647979 183114055 /nfs/dbraw/zinc/11/40/55/183114055.db2.gz IZYPOQVURFRTRI-UHFFFAOYSA-N 0 0 314.345 3.840 10 5 DHBERN CC(C)(C)Nc1ncnc(Nc2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000040581884 183105305 /nfs/dbraw/zinc/10/53/05/183105305.db2.gz AYTZTWIXUTUQGP-UHFFFAOYSA-N 0 0 323.303 3.617 10 5 DHBERN Cc1ccc(CNc2ncnc(NC(C)(C)C)c2[N+](=O)[O-])cc1 ZINC000040581758 183105412 /nfs/dbraw/zinc/10/54/12/183105412.db2.gz POCDRWZSMQSPFY-UHFFFAOYSA-N 0 0 315.377 3.516 10 5 DHBERN CCc1ccc(Nc2ncnc(N(CC)CC)c2[N+](=O)[O-])cc1 ZINC000040587225 183105992 /nfs/dbraw/zinc/10/59/92/183105992.db2.gz RVIDNFHHVVKQKG-UHFFFAOYSA-N 0 0 315.377 3.537 10 5 DHBERN O=[N+]([O-])c1c(NC2CCCCC2)ncnc1N1CCCCCC1 ZINC000040597895 183107368 /nfs/dbraw/zinc/10/73/68/183107368.db2.gz VKMGSGMVZOAPJK-UHFFFAOYSA-N 0 0 319.409 3.510 10 5 DHBERN CCN(CC)c1ncnc(Nc2cccc(C)c2C)c1[N+](=O)[O-] ZINC000040607969 183107812 /nfs/dbraw/zinc/10/78/12/183107812.db2.gz AZSBNSGOMCBQML-UHFFFAOYSA-N 0 0 315.377 3.591 10 5 DHBERN O=C(Nc1ccnc2c(F)cccc12)c1ccc([N+](=O)[O-])cc1 ZINC000041058135 183161125 /nfs/dbraw/zinc/16/11/25/183161125.db2.gz LIJGJGNLMHOYJN-UHFFFAOYSA-N 0 0 311.272 3.534 10 5 DHBERN O=[N+]([O-])c1ccccc1C[C@H](O)c1cccc(Br)c1 ZINC000062138647 184208140 /nfs/dbraw/zinc/20/81/40/184208140.db2.gz AQNZEKFJJLHALR-AWEZNQCLSA-N 0 0 322.158 3.633 10 5 DHBERN C[C@@H]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000159621946 332679712 /nfs/dbraw/zinc/67/97/12/332679712.db2.gz GRBJGVLHXIONLU-ACJLOTCBSA-N 0 0 324.380 3.892 10 5 DHBERN CC(=O)c1ccc(N[C@@H](C)Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000301270347 336297856 /nfs/dbraw/zinc/29/78/56/336297856.db2.gz GURIAQDRNOFGIU-NSHDSACASA-N 0 0 316.332 3.980 10 5 DHBERN Cc1ccc([C@@H]2CCCCN2c2cc(C)c([N+](=O)[O-])cn2)o1 ZINC000301432394 336306457 /nfs/dbraw/zinc/30/64/57/336306457.db2.gz KLOWKBITHKAJKW-ZDUSSCGKSA-N 0 0 301.346 3.931 10 5 DHBERN CC(=O)c1ccc(N(C)[C@H](C)Cc2ccsc2)c([N+](=O)[O-])c1 ZINC000301493579 336310073 /nfs/dbraw/zinc/31/00/73/336310073.db2.gz QVMLECSIRVPEPP-LLVKDONJSA-N 0 0 318.398 3.926 10 5 DHBERN Cc1cc(N2CC[C@H](C)[C@@H]2C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301498140 336310472 /nfs/dbraw/zinc/31/04/72/336310472.db2.gz VKUCVMLBVQRCPA-AAEUAGOBSA-N 0 0 312.373 3.595 10 5 DHBERN O=[N+]([O-])c1ccc(Br)cc1N1C[C@H]2CC=CC[C@@H]2C1 ZINC000301668670 336322174 /nfs/dbraw/zinc/32/21/74/336322174.db2.gz MSZNEXCNVFRLQI-GHMZBOCLSA-N 0 0 323.190 3.760 10 5 DHBERN CC[C@@H](CNc1c([N+](=O)[O-])c(C)nn1C)c1ccc(Cl)cc1 ZINC000301679859 336322954 /nfs/dbraw/zinc/32/29/54/336322954.db2.gz FGFRESSTOWDGOL-NSHDSACASA-N 0 0 322.796 3.896 10 5 DHBERN Cc1ccc(Sc2n[nH]c(-c3cccs3)n2)c([N+](=O)[O-])c1 ZINC000301773956 336328949 /nfs/dbraw/zinc/32/89/49/336328949.db2.gz MSLHEPJOPIDRJC-UHFFFAOYSA-N 0 0 318.383 3.901 10 5 DHBERN CO[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000301800413 336330822 /nfs/dbraw/zinc/33/08/22/336330822.db2.gz VZFBTOKJSLPIRC-MWLCHTKSSA-N 0 0 318.295 3.983 10 5 DHBERN Cc1cc(N(C)CCC(F)(F)F)c2cccc([N+](=O)[O-])c2n1 ZINC000301979843 336341091 /nfs/dbraw/zinc/34/10/91/336341091.db2.gz ANQJPWBIOKKTPR-UHFFFAOYSA-N 0 0 313.279 3.840 10 5 DHBERN CCS[C@H]1CCC[C@H](Nc2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302014112 336343127 /nfs/dbraw/zinc/34/31/27/336343127.db2.gz BLPHYCZNAUXXOU-STQMWFEESA-N 0 0 310.419 3.563 10 5 DHBERN O=[N+]([O-])c1ccc(CO)cc1N[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000302030312 336344188 /nfs/dbraw/zinc/34/41/88/336344188.db2.gz JREHCSQJFMMXRX-UONOGXRCSA-N 0 0 318.760 3.709 10 5 DHBERN Cn1cc(Oc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])cn1 ZINC000302350300 336357512 /nfs/dbraw/zinc/35/75/12/336357512.db2.gz YFEURGUFVAFANW-UHFFFAOYSA-N 0 0 321.642 3.793 10 5 DHBERN CCCOc1ncccc1CNc1cc(F)ccc1[N+](=O)[O-] ZINC000302822523 336370697 /nfs/dbraw/zinc/37/06/97/336370697.db2.gz SJOXMLVSRKQEKM-UHFFFAOYSA-N 0 0 305.309 3.530 10 5 DHBERN O=[N+]([O-])c1ccc(F)cc1N1CC=C(c2ccc(O)cc2)CC1 ZINC000302850886 336371879 /nfs/dbraw/zinc/37/18/79/336371879.db2.gz IUHFZOHHQSTANA-UHFFFAOYSA-N 0 0 314.316 3.733 10 5 DHBERN COc1ccc(CN(C)c2cc(F)ccc2[N+](=O)[O-])cc1F ZINC000302848834 336371964 /nfs/dbraw/zinc/37/19/64/336371964.db2.gz HSTLAYTYORZNQZ-UHFFFAOYSA-N 0 0 308.284 3.518 10 5 DHBERN O=[N+]([O-])c1ccc2c(ccn2-c2ccc(C(F)(F)F)cn2)c1 ZINC000584618311 337373168 /nfs/dbraw/zinc/37/31/68/337373168.db2.gz GAVAIYBYKSZUQW-UHFFFAOYSA-N 0 0 307.231 3.953 10 5 DHBERN O=[N+]([O-])c1ccc(Nn2c3ccc(Cl)cc3[nH]c2=S)cc1 ZINC000584662149 337378413 /nfs/dbraw/zinc/37/84/13/337378413.db2.gz XPQINTXORWILIR-UHFFFAOYSA-N 0 0 320.761 3.762 10 5 DHBERN CC[C@H](NC(=O)c1nc(C)sc1C)c1cccc([N+](=O)[O-])c1 ZINC000178847624 340452350 /nfs/dbraw/zinc/45/23/50/340452350.db2.gz VDSRQNBJLOARRZ-ZDUSSCGKSA-N 0 0 319.386 3.549 10 5 DHBERN O=[N+]([O-])c1ccccc1Oc1cc(Br)ccc1CO ZINC000038080629 518203085 /nfs/dbraw/zinc/20/30/85/518203085.db2.gz ZWCDNCXLHBLFNY-UHFFFAOYSA-N 0 0 324.130 3.642 10 5 DHBERN CC1CCN(Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000675055880 563910112 /nfs/dbraw/zinc/91/01/12/563910112.db2.gz AYOYFBOTINUFPG-UHFFFAOYSA-N 0 0 313.195 3.589 10 5 DHBERN C[C@H](O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000226273758 563913630 /nfs/dbraw/zinc/91/36/30/563913630.db2.gz XXCRFRBEWWIWIP-VIFPVBQESA-N 0 0 320.732 3.554 10 5 DHBERN O=[N+]([O-])c1ccc(C=C(Br)Br)s1 ZINC000222991746 563920649 /nfs/dbraw/zinc/92/06/49/563920649.db2.gz FTYXQWVNPSQQND-UHFFFAOYSA-N 0 0 312.970 3.745 10 5 DHBERN CCNc1nc(Nc2cccc([N+](=O)[O-])c2)nc2ccccc21 ZINC000072260964 191088188 /nfs/dbraw/zinc/08/81/88/191088188.db2.gz LCZUVTQHZLXPTL-UHFFFAOYSA-N 0 0 309.329 3.713 10 5 DHBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCCOc1ccccc1 ZINC000005750047 181280443 /nfs/dbraw/zinc/28/04/43/181280443.db2.gz AHVDZHSMTAVYNI-UHFFFAOYSA-N 0 0 314.341 3.701 10 5 DHBERN O=[N+]([O-])c1ccccc1/C=C/CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000093437994 193251976 /nfs/dbraw/zinc/25/19/76/193251976.db2.gz QTBIEYOVANBSFX-BIENSFFJSA-N 0 0 312.373 3.558 10 5 DHBERN O=C(COc1cc(F)ccc1[N+](=O)[O-])c1ccccc1Cl ZINC000007757831 181492505 /nfs/dbraw/zinc/49/25/05/181492505.db2.gz IGIYPZVQLLMOBW-UHFFFAOYSA-N 0 0 309.680 3.649 10 5 DHBERN O=C(c1ccc(-c2ccccc2[N+](=O)[O-])o1)N1CCCCCC1 ZINC000017321100 182083045 /nfs/dbraw/zinc/08/30/45/182083045.db2.gz YPRCBKMGZAPJKL-UHFFFAOYSA-N 0 0 314.341 3.871 10 5 DHBERN O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cc(F)cc(F)c1 ZINC000018253896 182100794 /nfs/dbraw/zinc/10/07/94/182100794.db2.gz HSABCUKWDRQWBL-AATRIKPKSA-N 0 0 304.252 3.525 10 5 DHBERN Cc1ccc(Sc2ccccc2C(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000021988721 182302525 /nfs/dbraw/zinc/30/25/25/182302525.db2.gz WTGPYYZJHQGVGG-UHFFFAOYSA-N 0 0 316.382 3.756 10 5 DHBERN CCN(C(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000037251048 182875821 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ZINC000041057891 183161039 /nfs/dbraw/zinc/16/10/39/183161039.db2.gz JOEQIRPYURQTMV-UHFFFAOYSA-N 0 0 307.309 3.704 10 5 DHBERN CO[C@@H]1CCC[C@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000301777365 332978693 /nfs/dbraw/zinc/97/86/93/332978693.db2.gz LXEJGOPLXBVVRB-WDEREUQCSA-N 0 0 318.295 3.983 10 5 DHBERN C[C@H](COCc1ccccc1)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000390707557 333316620 /nfs/dbraw/zinc/31/66/20/333316620.db2.gz SGKNUZFBDPCGQC-LLVKDONJSA-N 0 0 321.764 3.660 10 5 DHBERN CCc1ccc([C@@H]2CCCCN2c2ncc([N+](=O)[O-])s2)o1 ZINC000192464265 336036533 /nfs/dbraw/zinc/03/65/33/336036533.db2.gz YCDOKYUPGCRQPS-NSHDSACASA-N 0 0 307.375 3.938 10 5 DHBERN CCOc1ccc(CNc2ccc([N+](=O)[O-])c(OC)c2)cc1C ZINC000301404633 336304688 /nfs/dbraw/zinc/30/46/88/336304688.db2.gz SUTPCXNJNNUZOH-UHFFFAOYSA-N 0 0 316.357 3.923 10 5 DHBERN CSC[C@@H](C)N(C)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000301483903 336309744 /nfs/dbraw/zinc/30/97/44/336309744.db2.gz UVOKNHCTAJGGNI-MRVPVSSYSA-N 0 0 308.325 3.801 10 5 DHBERN Cc1cc([N+](=O)[O-])ccc1N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000301680681 336322970 /nfs/dbraw/zinc/32/29/70/336322970.db2.gz UXSWOGORCOWZMR-CYBMUJFWSA-N 0 0 323.356 3.657 10 5 DHBERN Cc1cccc([N+](=O)[O-])c1NCCc1nc2cc(F)ccc2[nH]1 ZINC000301737102 336326577 /nfs/dbraw/zinc/32/65/77/336326577.db2.gz VQJPGNIUSJGPOZ-UHFFFAOYSA-N 0 0 314.320 3.573 10 5 DHBERN CO[C@H]1CCC[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000301778437 336329104 /nfs/dbraw/zinc/32/91/04/336329104.db2.gz MHIGJVBRZJAVID-JSGCOSHPSA-N 0 0 301.346 3.513 10 5 DHBERN Cc1ccc(Nc2cccc(C[S@@](C)=O)c2C)c([N+](=O)[O-])c1 ZINC000301799259 336330790 /nfs/dbraw/zinc/33/07/90/336330790.db2.gz BMTQPFVICVPRES-JOCHJYFZSA-N 0 0 318.398 3.834 10 5 DHBERN Cc1nc(CNc2ccc([N+](=O)[O-])c3cnccc23)c(C)s1 ZINC000301857716 336334480 /nfs/dbraw/zinc/33/44/80/336334480.db2.gz ZVPOJCGQNSOMPW-UHFFFAOYSA-N 0 0 314.370 3.828 10 5 DHBERN CCS[C@H]1CCC[C@@H](Nc2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302014110 336343213 /nfs/dbraw/zinc/34/32/13/336343213.db2.gz BLPHYCZNAUXXOU-OLZOCXBDSA-N 0 0 310.419 3.563 10 5 DHBERN CC1(C)C[C@H](Nc2cc(CO)ccc2[N+](=O)[O-])c2ccccc21 ZINC000302076196 336347202 /nfs/dbraw/zinc/34/72/02/336347202.db2.gz YBFKQKRNGINTHG-INIZCTEOSA-N 0 0 312.369 3.922 10 5 DHBERN Cc1ccc(CN(C)c2ncc(Cl)cc2[N+](=O)[O-])cc1F ZINC000302713798 336366177 /nfs/dbraw/zinc/36/61/77/336366177.db2.gz LNNAYGOETHZHIK-UHFFFAOYSA-N 0 0 309.728 3.727 10 5 DHBERN C[C@H]1CC(=O)Oc2cc(Oc3ccc([N+](=O)[O-])cc3F)ccc21 ZINC000302825176 336370794 /nfs/dbraw/zinc/37/07/94/336370794.db2.gz MEJVHCBRQFHNNB-VIFPVBQESA-N 0 0 317.272 3.939 10 5 DHBERN Cc1ccc(Oc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)cc1F ZINC000302850426 336371913 /nfs/dbraw/zinc/37/19/13/336371913.db2.gz ILMHCZWDLLXXNK-UHFFFAOYSA-N 0 0 316.288 3.719 10 5 DHBERN C[C@@H](Nc1cc(F)ccc1[N+](=O)[O-])c1nc2ccccc2[nH]1 ZINC000302870338 336372683 /nfs/dbraw/zinc/37/26/83/336372683.db2.gz YGEUDDIGRWBAKD-SECBINFHSA-N 0 0 300.293 3.783 10 5 DHBERN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H]1c1ccco1 ZINC000116049332 336830604 /nfs/dbraw/zinc/83/06/04/336830604.db2.gz PIQZFKXAKTULKT-ZDUSSCGKSA-N 0 0 320.732 3.819 10 5 DHBERN COc1ccc(Oc2ccc(/C=C/[N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000584593096 337373615 /nfs/dbraw/zinc/37/36/15/337373615.db2.gz DQHPBPMZHYGGLV-CMDGGOBGSA-N 0 0 316.269 3.643 10 5 DHBERN COC(=O)c1ccccc1S[C@@H](C[N+](=O)[O-])c1ccccc1 ZINC000584597653 337374474 /nfs/dbraw/zinc/37/44/74/337374474.db2.gz YREHUYHXBRHVDI-HNNXBMFYSA-N 0 0 317.366 3.583 10 5 DHBERN COc1c(F)c(F)c(-c2cccc([N+](=O)[O-])c2)c(F)c1F ZINC000584623718 337375240 /nfs/dbraw/zinc/37/52/40/337375240.db2.gz BILBOCGUCXFRIY-UHFFFAOYSA-N 0 0 301.195 3.827 10 5 DHBERN CCc1cnc([C@H](C)Nc2ncc(Cl)cc2[N+](=O)[O-])s1 ZINC000135359563 341238075 /nfs/dbraw/zinc/23/80/75/341238075.db2.gz NGJOJCSLCMRSEB-ZETCQYMHSA-N 0 0 312.782 3.835 10 5 DHBERN CC[C@H](NCc1nccn1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181543054 522670771 /nfs/dbraw/zinc/67/07/71/522670771.db2.gz XCHVZRGCAKRJOC-HNNXBMFYSA-N 0 0 302.378 3.613 10 5 DHBERN CCc1ccc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])o2)o1 ZINC000128536993 524035329 /nfs/dbraw/zinc/03/53/29/524035329.db2.gz KYEIJZAXDTVRED-LBPRGKRZSA-N 0 0 318.329 3.711 10 5 DHBERN Cc1ccc([C@H](C)NC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000156032937 525904501 /nfs/dbraw/zinc/90/45/01/525904501.db2.gz VIGFSBANYAQAOF-NSHDSACASA-N 0 0 303.318 3.687 10 5 DHBERN O=[N+]([O-])c1cnc2ccc(OCC(F)(F)F)cc2c1Cl ZINC000098061841 563523536 /nfs/dbraw/zinc/52/35/36/563523536.db2.gz HMGKVRNCXTYPIQ-UHFFFAOYSA-N 0 0 306.627 3.738 10 5 DHBERN COc1ccc(Br)c2c(Cl)c([N+](=O)[O-])cnc12 ZINC000098061899 563523637 /nfs/dbraw/zinc/52/36/37/563523637.db2.gz HEDVTFPPIZQPIK-UHFFFAOYSA-N 0 0 317.526 3.568 10 5 DHBERN C[C@@H](O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000165196284 197672092 /nfs/dbraw/zinc/67/20/92/197672092.db2.gz RLZTXOHTNAJLEX-SECBINFHSA-N 0 0 320.732 3.554 10 5 DHBERN CCN(CC)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000169321064 197741049 /nfs/dbraw/zinc/74/10/49/197741049.db2.gz SITJGYKHDHKNSJ-UHFFFAOYSA-N 0 0 314.341 3.660 10 5 DHBERN O=C(/C=C/c1cc([N+](=O)[O-])ccc1Cl)Oc1ccccc1 ZINC000000157699 180711160 /nfs/dbraw/zinc/71/11/60/180711160.db2.gz OMMFGDMDVADRMU-RMKNXTFCSA-N 0 0 303.701 3.867 10 5 DHBERN CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000001042169 180842394 /nfs/dbraw/zinc/84/23/94/180842394.db2.gz XEVXXTKGYIQXJK-VMGRFDJRSA-N 0 0 302.374 3.539 10 5 DHBERN Cc1ccc(NC(=O)COc2cc(C)cc(C)c2)c([N+](=O)[O-])c1 ZINC000005698334 181274205 /nfs/dbraw/zinc/27/42/05/181274205.db2.gz SDRLZXTYWBJWCS-UHFFFAOYSA-N 0 0 314.341 3.538 10 5 DHBERN COc1cc(C)ccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000005927788 181297368 /nfs/dbraw/zinc/29/73/68/181297368.db2.gz UWUFJDOVJVRJQI-VQHVLOKHSA-N 0 0 312.325 3.564 10 5 DHBERN O=Cc1ccc(Oc2ccccc2Br)c([N+](=O)[O-])c1 ZINC000020298757 182203967 /nfs/dbraw/zinc/20/39/67/182203967.db2.gz JFFDNWRBWFZVKJ-UHFFFAOYSA-N 0 0 322.114 3.962 10 5 DHBERN Cc1ccc([N+](=O)[O-])c(OCC(=O)c2ccccc2Cl)c1 ZINC000021614837 182281548 /nfs/dbraw/zinc/28/15/48/182281548.db2.gz ANUNAJXTNFLPCD-UHFFFAOYSA-N 0 0 305.717 3.818 10 5 DHBERN COc1cc(/C=C\c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000026577019 182446457 /nfs/dbraw/zinc/44/64/57/182446457.db2.gz UDXWNMYENXAKPA-PLNGDYQASA-N 0 0 315.325 3.791 10 5 DHBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc2ccccc2c1 ZINC000030398831 182590132 /nfs/dbraw/zinc/59/01/32/182590132.db2.gz YNLFHRDEGKRIRL-LLVKDONJSA-N 0 0 310.309 3.832 10 5 DHBERN O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccnc(Cl)c1 ZINC000037979565 182950084 /nfs/dbraw/zinc/95/00/84/182950084.db2.gz CHVXRMSZCJFXRK-UHFFFAOYSA-N 0 0 312.112 3.549 10 5 DHBERN O=[N+]([O-])c1ccc(-c2cn3cc(Br)sc3n2)cc1 ZINC000039325787 183016910 /nfs/dbraw/zinc/01/69/10/183016910.db2.gz OGWPTVFNLPTRTL-UHFFFAOYSA-N 0 0 324.159 3.734 10 5 DHBERN O=[N+]([O-])c1c(Nc2ccccc2)ncnc1Oc1ccccc1 ZINC000040647929 183114003 /nfs/dbraw/zinc/11/40/03/183114003.db2.gz GRTFVQKZDSQQPS-UHFFFAOYSA-N 0 0 308.297 3.921 10 5 DHBERN Cc1cc(C)cc(Oc2ncnc(OC(C)C)c2[N+](=O)[O-])c1 ZINC000040582808 183105320 /nfs/dbraw/zinc/10/53/20/183105320.db2.gz LFWLGTRXFDXVIR-UHFFFAOYSA-N 0 0 303.318 3.581 10 5 DHBERN CCNc1ncnc(Oc2ccc3ccccc3c2)c1[N+](=O)[O-] ZINC000040586528 183105503 /nfs/dbraw/zinc/10/55/03/183105503.db2.gz CPCKUCHEPWKEKC-UHFFFAOYSA-N 0 0 310.313 3.762 10 5 DHBERN CCc1ccccc1Nc1ncnc(NC(C)C)c1[N+](=O)[O-] ZINC000040586991 183106240 /nfs/dbraw/zinc/10/62/40/183106240.db2.gz NQBARNJZDYSKLD-UHFFFAOYSA-N 0 0 301.350 3.511 10 5 DHBERN O=[N+]([O-])c1c(Nc2ccccc2)ncnc1NC1CCCCC1 ZINC000040598115 183107070 /nfs/dbraw/zinc/10/70/70/183107070.db2.gz PEQBSYUZXZHPAC-UHFFFAOYSA-N 0 0 313.361 3.873 10 5 DHBERN CCCNc1ncnc(Oc2ccc(Cl)c(C)c2)c1[N+](=O)[O-] ZINC000040597122 183107240 /nfs/dbraw/zinc/10/72/40/183107240.db2.gz NLIVHDUWNWEZNH-UHFFFAOYSA-N 0 0 322.752 3.961 10 5 DHBERN CCc1ccc(Oc2ncnc(N(CC)CC)c2[N+](=O)[O-])cc1 ZINC000040608248 183109038 /nfs/dbraw/zinc/10/90/38/183109038.db2.gz JGIAXJKEQHPXHA-UHFFFAOYSA-N 0 0 316.361 3.586 10 5 DHBERN CC(C)Cc1nn2cc(-c3ccc([N+](=O)[O-])cc3)nc2s1 ZINC000040963895 183152031 /nfs/dbraw/zinc/15/20/31/183152031.db2.gz STWVVWFSOQXTJF-UHFFFAOYSA-N 0 0 302.359 3.565 10 5 DHBERN CC1=C(c2ccc([N+](=O)[O-])cc2)C(=O)OC1=CNc1ccccc1 ZINC000017746967 257211356 /nfs/dbraw/zinc/21/13/56/257211356.db2.gz OQERLPZXMCMVKT-LFIBNONCSA-N 0 0 322.320 3.879 10 5 DHBERN O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CCCc2ccccc21 ZINC000086966049 333113012 /nfs/dbraw/zinc/11/30/12/333113012.db2.gz YJYWNOJAFVKKDM-SFHVURJKSA-N 0 0 324.380 3.721 10 5 DHBERN Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc(C)c1[N+](=O)[O-])[C@@H](C)C2 ZINC000182227004 333205970 /nfs/dbraw/zinc/20/59/70/333205970.db2.gz GXXRHERPFICQOW-GUYCJALGSA-N 0 0 324.380 3.875 10 5 DHBERN C[C@@H](COCc1ccccc1)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000390707558 333316650 /nfs/dbraw/zinc/31/66/50/333316650.db2.gz SGKNUZFBDPCGQC-NSHDSACASA-N 0 0 321.764 3.660 10 5 DHBERN CC[C@H](Nc1ncc([N+](=O)[O-])cc1Br)C(C)C ZINC000093433963 335651999 /nfs/dbraw/zinc/65/19/99/335651999.db2.gz LAJBCJAIRNPGSD-JTQLQIEISA-N 0 0 302.172 3.599 10 5 DHBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@@H](O)C1CCCC1 ZINC000301263624 336297466 /nfs/dbraw/zinc/29/74/66/336297466.db2.gz DPVVSPYGIIUBSQ-CYBMUJFWSA-N 0 0 318.295 3.577 10 5 DHBERN CC(C)c1nc(CNc2ncc([N+](=O)[O-])cc2Cl)cs1 ZINC000301264719 336297607 /nfs/dbraw/zinc/29/76/07/336297607.db2.gz HFTHUHOWPZBEKK-UHFFFAOYSA-N 0 0 312.782 3.835 10 5 DHBERN CSC[C@@H](C)Nc1cc(C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301327380 336300775 /nfs/dbraw/zinc/30/07/75/336300775.db2.gz IQGKBQABDGNJED-LLVKDONJSA-N 0 0 318.402 3.524 10 5 DHBERN O=[N+]([O-])c1ccc(N2C[C@@H]3CC=CC[C@H]3C2)c(Br)c1 ZINC000301460372 336308250 /nfs/dbraw/zinc/30/82/50/336308250.db2.gz ZWKCKZDVEVIAKA-QWRGUYRKSA-N 0 0 323.190 3.760 10 5 DHBERN CO[C@@H](C)c1nc(CN(C)c2ccc([N+](=O)[O-])c(C)c2)cs1 ZINC000301587551 336316673 /nfs/dbraw/zinc/31/66/73/336316673.db2.gz WQCLWKVATSFSRA-NSHDSACASA-N 0 0 321.402 3.704 10 5 DHBERN O=[N+]([O-])c1ccc(NC[C@H]2C[C@@]23CCCc2ccccc23)nc1 ZINC000301664733 336321923 /nfs/dbraw/zinc/32/19/23/336321923.db2.gz WCWGQMIBYZGRHV-KDOFPFPSSA-N 0 0 309.369 3.696 10 5 DHBERN CO[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000301808098 336331399 /nfs/dbraw/zinc/33/13/99/336331399.db2.gz YYWIWTUBCIEMHF-VXGBXAGGSA-N 0 0 301.346 3.513 10 5 DHBERN CN(Cc1ccc(Cl)c(F)c1)c1cc(CO)ccc1[N+](=O)[O-] ZINC000302028777 336344051 /nfs/dbraw/zinc/34/40/51/336344051.db2.gz JEMGKSBWGZNSMJ-UHFFFAOYSA-N 0 0 324.739 3.516 10 5 DHBERN Cc1cccc([C@H](C)Nc2cc(CO)ccc2[N+](=O)[O-])c1C ZINC000302031926 336344322 /nfs/dbraw/zinc/34/43/22/336344322.db2.gz KIQCOGBMXLBUJM-ZDUSSCGKSA-N 0 0 300.358 3.877 10 5 DHBERN O=[N+]([O-])c1ccc(CO)cc1NCCc1c(F)cccc1Cl ZINC000302031404 336344345 /nfs/dbraw/zinc/34/43/45/336344345.db2.gz KBYMQABNJDFMGA-UHFFFAOYSA-N 0 0 324.739 3.534 10 5 DHBERN CCOc1cccc(NCc2ccc(OC)c(C)c2)c1[N+](=O)[O-] ZINC000302222594 336354694 /nfs/dbraw/zinc/35/46/94/336354694.db2.gz NATKKZXMNUMTJO-UHFFFAOYSA-N 0 0 316.357 3.923 10 5 DHBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]1c1ccco1 ZINC000116212499 336834439 /nfs/dbraw/zinc/83/44/39/336834439.db2.gz YZGCWKCRDWIUQO-GFCCVEGCSA-N 0 0 320.732 3.819 10 5 DHBERN CCCN(CC1CC1)C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000176695042 340430288 /nfs/dbraw/zinc/43/02/88/340430288.db2.gz GVKOUJQFRRVPJZ-MRXNPFEDSA-N 0 0 319.405 3.878 10 5 DHBERN CC[C@@H](NC(=O)c1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000177811314 340443798 /nfs/dbraw/zinc/44/37/98/340443798.db2.gz FNNGGHNMMAMZPN-OAHLLOKOSA-N 0 0 320.295 3.754 10 5 DHBERN CCS[C@H]1CC[C@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000227286273 521733148 /nfs/dbraw/zinc/73/31/48/521733148.db2.gz PUVAKGNKBXYJFV-UWVGGRQHSA-N 0 0 301.799 3.729 10 5 DHBERN CC(=O)c1ccc(Oc2cc(C)c([N+](=O)[O-])cn2)c(Cl)c1 ZINC000120375687 534871567 /nfs/dbraw/zinc/87/15/67/534871567.db2.gz IVCCTACSSPUILI-UHFFFAOYSA-N 0 0 306.705 3.947 10 5 DHBERN O=[N+]([O-])c1ccc(CN2CCCC[C@H]2c2cn[nH]c2)c(Cl)c1 ZINC000182337499 527348882 /nfs/dbraw/zinc/34/88/82/527348882.db2.gz NHCCTCGCXQBYFK-HNNXBMFYSA-N 0 0 320.780 3.699 10 5 DHBERN O=[N+]([O-])c1cnc2c(F)cc(Br)cc2c1Cl ZINC000165869483 563421042 /nfs/dbraw/zinc/42/10/42/563421042.db2.gz XNXQLNFWNNFGRQ-UHFFFAOYSA-N 0 0 305.490 3.698 10 5 DHBERN COc1cc2cc(-c3ccc([N+](=O)[O-])cc3)cnc2cc1OC ZINC000003834037 181048146 /nfs/dbraw/zinc/04/81/46/181048146.db2.gz FLEDIDSHIXDOQR-UHFFFAOYSA-N 0 0 310.309 3.827 10 5 in-vivo DHBERN C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)c1ccc(Cl)cc1 ZINC000005109163 181204250 /nfs/dbraw/zinc/20/42/50/181204250.db2.gz ZSVLJMZBTGZQHJ-JTQLQIEISA-N 0 0 305.717 3.898 10 5 DHBERN O=[N+]([O-])c1ccc(-c2ccc(SCc3ccncc3)nn2)cc1 ZINC000005381040 181237307 /nfs/dbraw/zinc/23/73/07/181237307.db2.gz FUGUNGMNZPXICE-UHFFFAOYSA-N 0 0 324.365 3.739 10 5 DHBERN C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(Cl)cc1 ZINC000006124187 181314476 /nfs/dbraw/zinc/31/44/76/181314476.db2.gz BHUPWWMGQOVAOQ-SNVBAGLBSA-N 0 0 305.717 3.898 10 5 DHBERN Cc1cc2ncn(C(=O)/C=C/c3ccccc3[N+](=O)[O-])c2cc1C ZINC000006477893 181344097 /nfs/dbraw/zinc/34/40/97/181344097.db2.gz GAXJHZSGLOFTHN-BQYQJAHWSA-N 0 0 321.336 3.915 10 5 DHBERN O=C(Nc1cccc(Cl)c1F)c1ccc(F)c([N+](=O)[O-])c1 ZINC000008016084 181518060 /nfs/dbraw/zinc/51/80/60/181518060.db2.gz DFAUPWFIKJXYGL-UHFFFAOYSA-N 0 0 312.659 3.779 10 5 DHBERN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)OCc1ccccc1 ZINC000014000738 181919235 /nfs/dbraw/zinc/91/92/35/181919235.db2.gz SMXGADWNKGMRKB-UHFFFAOYSA-N 0 0 306.705 3.997 10 5 DHBERN CCc1ccc(Nc2ncnc(NC(C)C)c2[N+](=O)[O-])cc1 ZINC000040587219 183106107 /nfs/dbraw/zinc/10/61/07/183106107.db2.gz HTTZJCSOJSYCNO-UHFFFAOYSA-N 0 0 301.350 3.511 10 5 DHBERN CCCNc1ncnc(Nc2cc(Cl)ccc2C)c1[N+](=O)[O-] ZINC000040592447 183106508 /nfs/dbraw/zinc/10/65/08/183106508.db2.gz XVJDROZJBDZDMQ-UHFFFAOYSA-N 0 0 321.768 3.912 10 5 DHBERN CCCNc1ncnc(Sc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000040596980 183107351 /nfs/dbraw/zinc/10/73/51/183107351.db2.gz DTLROZXOARRMSH-UHFFFAOYSA-N 0 0 304.375 3.666 10 5 DHBERN CCCNc1ncnc(Oc2ccc(C)c(C)c2)c1[N+](=O)[O-] ZINC000040597226 183107503 /nfs/dbraw/zinc/10/75/03/183107503.db2.gz QUCSULJZLCLOGO-UHFFFAOYSA-N 0 0 302.334 3.616 10 5 DHBERN CCN(CC)c1ncnc(Oc2ccc(C)c(C)c2)c1[N+](=O)[O-] ZINC000040608254 183108857 /nfs/dbraw/zinc/10/88/57/183108857.db2.gz KGKYFYFFGOXUHX-UHFFFAOYSA-N 0 0 316.361 3.640 10 5 DHBERN O=[N+]([O-])c1ccc(-c2cc(C(F)(F)F)nc(Cl)n2)cc1 ZINC000057349090 184034974 /nfs/dbraw/zinc/03/49/74/184034974.db2.gz MJGDMMTVKSSTBT-UHFFFAOYSA-N 0 0 303.627 3.724 10 5 DHBERN CSC[C@@H](C)N(C)c1ccc(Br)cc1[N+](=O)[O-] ZINC000122472901 132166720 /nfs/dbraw/zinc/16/67/20/132166720.db2.gz RCRUBQCBROISFP-MRVPVSSYSA-N 0 0 319.224 3.545 10 5 DHBERN CC[C@H](NC(=O)NC(C1CC1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000090519767 332089451 /nfs/dbraw/zinc/08/94/51/332089451.db2.gz JWIQGBGVNRITNI-HNNXBMFYSA-N 0 0 317.389 3.534 10 5 DHBERN COc1cc(N[C@H]2CCCc3cc(N)ccc32)ccc1[N+](=O)[O-] ZINC000261856272 332560460 /nfs/dbraw/zinc/56/04/60/332560460.db2.gz KBDSANRTYLEMPI-HNNXBMFYSA-N 0 0 313.357 3.675 10 5 DHBERN C[C@@H]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000159622182 332679832 /nfs/dbraw/zinc/67/98/32/332679832.db2.gz GRBJGVLHXIONLU-FZKQIMNGSA-N 0 0 324.380 3.892 10 5 DHBERN O=[N+]([O-])c1cnc(N[C@H](Cc2ccccc2)C(F)(F)F)s1 ZINC000192493811 336036092 /nfs/dbraw/zinc/03/60/92/336036092.db2.gz MOWOWESOHMXPIK-SECBINFHSA-N 0 0 317.292 3.637 10 5 DHBERN CC(C)(C)[C@H]1OCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000301277025 336298202 /nfs/dbraw/zinc/29/82/02/336298202.db2.gz MJLRHCGPIBXDGX-SKDRFNHKSA-N 0 0 313.785 3.506 10 5 DHBERN CC(C)(C)[C@@H]1OCC[C@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000301277024 336298280 /nfs/dbraw/zinc/29/82/80/336298280.db2.gz MJLRHCGPIBXDGX-JOYOIKCWSA-N 0 0 313.785 3.506 10 5 DHBERN COc1cc(NCCSc2ccccc2F)ccc1[N+](=O)[O-] ZINC000301382657 336303643 /nfs/dbraw/zinc/30/36/43/336303643.db2.gz AUDOEHGNSJJYEX-UHFFFAOYSA-N 0 0 322.361 3.947 10 5 DHBERN Cc1ccc([C@H]2C[C@@H](C)CCN2c2ccc([N+](=O)[O-])cn2)o1 ZINC000301444293 336307170 /nfs/dbraw/zinc/30/71/70/336307170.db2.gz NLTNTMMMCSVKPO-SMDDNHRTSA-N 0 0 301.346 3.869 10 5 DHBERN O=[N+]([O-])c1ccccc1NCCc1ccc(Br)o1 ZINC000301718734 336325428 /nfs/dbraw/zinc/32/54/28/336325428.db2.gz YXZCYJXWEZYJQP-UHFFFAOYSA-N 0 0 311.135 3.605 10 5 DHBERN CCc1ncnc(N[C@H](CC)c2cccc([N+](=O)[O-])c2)c1F ZINC000301958164 336339977 /nfs/dbraw/zinc/33/99/77/336339977.db2.gz LKAZRXWWYIQKJC-GFCCVEGCSA-N 0 0 304.325 3.650 10 5 DHBERN CC(C)(CNc1cc(CO)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000301981559 336341138 /nfs/dbraw/zinc/34/11/38/336341138.db2.gz ABKAFCLAXIMTED-UHFFFAOYSA-N 0 0 314.385 3.768 10 5 DHBERN O=[N+]([O-])c1ccc(CO)cc1NCc1ccc(C(F)F)cc1 ZINC000302183677 336352922 /nfs/dbraw/zinc/35/29/22/336352922.db2.gz RYHGBLCXNIEGLV-UHFFFAOYSA-N 0 0 308.284 3.637 10 5 DHBERN Cc1ccc([C@@](C)(O)CNc2c(C)cc([N+](=O)[O-])cc2Cl)o1 ZINC000302812138 336370140 /nfs/dbraw/zinc/37/01/40/336370140.db2.gz HHUHGSKBIRJQSH-HNNXBMFYSA-N 0 0 324.764 3.778 10 5 DHBERN Cc1nc2ccccc2n1CCNc1cc(F)ccc1[N+](=O)[O-] ZINC000302860025 336372197 /nfs/dbraw/zinc/37/21/97/336372197.db2.gz OQNPXBHPWIHOCK-UHFFFAOYSA-N 0 0 314.320 3.504 10 5 DHBERN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccco1 ZINC000116049317 336830541 /nfs/dbraw/zinc/83/05/41/336830541.db2.gz IJRCUIXMVAGQHM-LBPRGKRZSA-N 0 0 320.732 3.819 10 5 DHBERN Cc1ccc([C@H](C)NC(=O)c2ccccc2[N+](=O)[O-])cc1F ZINC000121686137 337897175 /nfs/dbraw/zinc/89/71/75/337897175.db2.gz ZUDZQJPUMFPEDD-NSHDSACASA-N 0 0 302.305 3.533 10 5 DHBERN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@H]2CCCC[C@H]21 ZINC000162593265 338640911 /nfs/dbraw/zinc/64/09/11/338640911.db2.gz XTPWYSQIIJWZJQ-ZWNOBZJWSA-N 0 0 308.765 3.653 10 5 DHBERN CC[C@@H](NC(=O)CC[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000177784229 340443430 /nfs/dbraw/zinc/44/34/30/340443430.db2.gz RGYDUGUJDSCAQV-HZPDHXFCSA-N 0 0 320.389 3.511 10 5 DHBERN CC[C@H](NC(=O)N(C(C)C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000176695263 522404626 /nfs/dbraw/zinc/40/46/26/522404626.db2.gz TUCLCHBCIMMMOR-HNNXBMFYSA-N 0 0 305.378 3.628 10 5 DHBERN CC[C@H](NC(=O)N1CCCC2(CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000185510602 522420099 /nfs/dbraw/zinc/42/00/99/522420099.db2.gz NPIULLCLSVPBPK-HNNXBMFYSA-N 0 0 317.389 3.632 10 5 DHBERN O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2c2cn[nH]c2)c(Cl)c1 ZINC000182337474 527348780 /nfs/dbraw/zinc/34/87/80/527348780.db2.gz NHCCTCGCXQBYFK-OAHLLOKOSA-N 0 0 320.780 3.699 10 5 DHBERN C[C@@H]1CCC[C@H](CC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000088230813 1017313928 /nfs/dbraw/zinc/31/39/28/1017313928.db2.gz PQDAOKKJURYIET-KGLIPLIRSA-N 0 0 316.401 3.696 10 5 DHBERN C[C@@H](O)c1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000226274736 201770585 /nfs/dbraw/zinc/77/05/85/201770585.db2.gz YKVOBZYFQYKKQC-SECBINFHSA-N 0 0 320.732 3.554 10 5 DHBERN COc1ccc([C@H](O)c2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000226294397 201773406 /nfs/dbraw/zinc/77/34/06/201773406.db2.gz RLPDJFARUIVJST-SFHVURJKSA-N 0 0 309.321 3.838 10 5 DHBERN O=[N+]([O-])c1ccc(Cc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000072236653 191080924 /nfs/dbraw/zinc/08/09/24/191080924.db2.gz YKFGNHFMIKEBQH-UHFFFAOYSA-N 0 0 314.732 3.624 10 5 DHBERN O=[N+]([O-])c1ccc(-c2ccc(SCc3ccccn3)nn2)cc1 ZINC000005381047 181237381 /nfs/dbraw/zinc/23/73/81/181237381.db2.gz ZOYIICRXPRQYFY-UHFFFAOYSA-N 0 0 324.365 3.739 10 5 DHBERN O=C1c2ccccc2-c2nc3cc4nc5ccccc5nc4cc3n21 ZINC000005280088 181225820 /nfs/dbraw/zinc/22/58/20/181225820.db2.gz ZZORDVDYTMYRJS-UHFFFAOYSA-N 0 0 322.327 3.802 10 5 DHBERN Cc1nc2ccccc2n1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005635044 181266644 /nfs/dbraw/zinc/26/66/44/181266644.db2.gz DNHKTMYSDLSXTD-UHFFFAOYSA-N 0 0 315.716 3.595 10 5 DHBERN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)C(Cl)(Cl)Cl ZINC000261507243 203073122 /nfs/dbraw/zinc/07/31/22/203073122.db2.gz GTYDQHHAZHCNIW-UHFFFAOYSA-N 0 0 307.520 3.629 10 5 DHBERN CCc1ccc(O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000008106558 181526977 /nfs/dbraw/zinc/52/69/77/181526977.db2.gz IGDBOWNFNJZXPF-LBPRGKRZSA-N 0 0 314.341 3.563 10 5 DHBERN C[C@H](c1cccs1)N(C)C(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000037979235 182950359 /nfs/dbraw/zinc/95/03/59/182950359.db2.gz FHWZTJODRDXRHV-SECBINFHSA-N 0 0 308.334 3.629 10 5 DHBERN CCCNc1ncnc(Nc2cc(C)cc(C)c2)c1[N+](=O)[O-] ZINC000040582925 183105406 /nfs/dbraw/zinc/10/54/06/183105406.db2.gz XHMITFLCHSZGAJ-UHFFFAOYSA-N 0 0 301.350 3.567 10 5 DHBERN CCN(c1cccc2ccccc21)c1ncnc(NC)c1[N+](=O)[O-] ZINC000040589020 183105706 /nfs/dbraw/zinc/10/57/06/183105706.db2.gz RTGKLILDAMWLON-UHFFFAOYSA-N 0 0 323.356 3.738 10 5 DHBERN CC(C)Nc1ncnc(Nc2ccccc2Cl)c1[N+](=O)[O-] ZINC000040597519 183107418 /nfs/dbraw/zinc/10/74/18/183107418.db2.gz LVAGOUUXEUGSHJ-UHFFFAOYSA-N 0 0 307.741 3.602 10 5 DHBERN C[C@@H](N(C)c1ncc(Br)cc1[N+](=O)[O-])C(C)(C)C ZINC000042801668 183310704 /nfs/dbraw/zinc/31/07/04/183310704.db2.gz DZTUBDHUKYQAIT-MRVPVSSYSA-N 0 0 316.199 3.623 10 5 DHBERN Nc1ccc(COc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000050831075 183806124 /nfs/dbraw/zinc/80/61/24/183806124.db2.gz CLFPRYOOHVSACV-UHFFFAOYSA-N 0 0 323.146 3.519 10 5 DHBERN CCc1nc2cc(NCc3csc([N+](=O)[O-])c3)ccc2o1 ZINC000037786122 331586651 /nfs/dbraw/zinc/58/66/51/331586651.db2.gz AHDHKMVDBUJLIN-UHFFFAOYSA-N 0 0 303.343 3.972 10 5 DHBERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1ccco1 ZINC000255369199 331735801 /nfs/dbraw/zinc/73/58/01/331735801.db2.gz UYZBWCFSUAOLRR-XMELGKRDSA-N 0 0 312.325 3.565 10 5 DHBERN CCc1cc(C)c(C(=O)N[C@@H](CC)c2cccc([N+](=O)[O-])c2)o1 ZINC000090466785 331999254 /nfs/dbraw/zinc/99/92/54/331999254.db2.gz DWSBADNGEJDKIB-HNNXBMFYSA-N 0 0 316.357 3.940 10 5 DHBERN CCc1ccsc1CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000094882919 333460473 /nfs/dbraw/zinc/46/04/73/333460473.db2.gz FISWTYAVGLITAQ-UHFFFAOYSA-N 0 0 307.331 3.739 10 5 DHBERN CSC[C@H](C)Nc1cc(C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301327381 336300751 /nfs/dbraw/zinc/30/07/51/336300751.db2.gz IQGKBQABDGNJED-NSHDSACASA-N 0 0 318.402 3.524 10 5 DHBERN CO[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000301785128 336329657 /nfs/dbraw/zinc/32/96/57/336329657.db2.gz PAZFLYOZEWUUPT-NEPJUHHUSA-N 0 0 301.346 3.513 10 5 DHBERN O=[N+]([O-])c1cccc(CN(c2nc3ccccc3[nH]2)C2CC2)c1 ZINC000301885187 336336260 /nfs/dbraw/zinc/33/62/60/336336260.db2.gz OLXJJOGWIBHDSQ-UHFFFAOYSA-N 0 0 308.341 3.640 10 5 DHBERN Cc1ccc(C[C@@H](C)Nc2cc(CO)ccc2[N+](=O)[O-])s1 ZINC000302038182 336344637 /nfs/dbraw/zinc/34/46/37/336344637.db2.gz MQZPIBMUFUAMFB-SNVBAGLBSA-N 0 0 306.387 3.500 10 5 DHBERN CCc1cc(N[C@@H](CC)c2cccc([N+](=O)[O-])c2)nc(C)n1 ZINC000302079925 336347546 /nfs/dbraw/zinc/34/75/46/336347546.db2.gz ISDSOKBIMOWTTN-HNNXBMFYSA-N 0 0 300.362 3.819 10 5 DHBERN CCc1nnc(Oc2cc([N+](=O)[O-])c(Cl)cc2C)nc1CC ZINC000302764560 336368125 /nfs/dbraw/zinc/36/81/25/336368125.db2.gz YHXBPLYKLRMZBU-UHFFFAOYSA-N 0 0 322.752 3.659 10 5 DHBERN Cc1ccc([C@H]2CCCCN2C(=O)c2ccccc2[N+](=O)[O-])o1 ZINC000127464146 337420922 /nfs/dbraw/zinc/42/09/22/337420922.db2.gz KXGZOTMMMJYBSE-OAHLLOKOSA-N 0 0 314.341 3.864 10 5 DHBERN Cc1ccc2c(c1)[C@H](NC(=O)c1c(C)cccc1[N+](=O)[O-])[C@@H](C)C2 ZINC000192457781 340567052 /nfs/dbraw/zinc/56/70/52/340567052.db2.gz LZOSLGRWFDGQPO-SCLBCKFNSA-N 0 0 324.380 3.875 10 5 DHBERN O=[N+]([O-])c1ccccc1-c1cc(C(F)(F)F)c(Cl)nn1 ZINC000536960700 563469727 /nfs/dbraw/zinc/46/97/27/563469727.db2.gz SRWDDKSTOVXSNG-UHFFFAOYSA-N 0 0 303.627 3.724 10 5 DHBERN O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3Cl)n[nH]2)cc1 ZINC000000505360 190615053 /nfs/dbraw/zinc/61/50/53/190615053.db2.gz JZXNZZRVZHWLDW-UHFFFAOYSA-N 0 0 300.705 3.700 10 5 DHBERN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000006119889 181313955 /nfs/dbraw/zinc/31/39/55/181313955.db2.gz GVYWCMRMZUGXQM-MRXNPFEDSA-N 0 0 314.341 3.699 10 5 DHBERN COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1ccc(F)cc1 ZINC000013786398 181896693 /nfs/dbraw/zinc/89/66/93/181896693.db2.gz NCLPCKYFBVRLBH-UHFFFAOYSA-N 0 0 321.333 3.551 10 5 DHBERN C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000016018173 182029175 /nfs/dbraw/zinc/02/91/75/182029175.db2.gz CSKYGPCQVWPPLI-JTQLQIEISA-N 0 0 304.733 3.739 10 5 DHBERN Nc1ccccc1Oc1ccc(Br)cc1[N+](=O)[O-] ZINC000038056602 182983394 /nfs/dbraw/zinc/98/33/94/182983394.db2.gz RRPQGCVDNPGTAD-UHFFFAOYSA-N 0 0 309.119 3.732 10 5 DHBERN Nc1cccc(OCc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000038055333 182983427 /nfs/dbraw/zinc/98/34/27/182983427.db2.gz AZGXVSMPLMHGBF-UHFFFAOYSA-N 0 0 323.146 3.519 10 5 DHBERN O=[N+]([O-])c1ccc(-c2cn3c(cccc3Br)n2)cc1 ZINC000039325774 183017534 /nfs/dbraw/zinc/01/75/34/183017534.db2.gz CGZYETRIQIXGMV-UHFFFAOYSA-N 0 0 318.130 3.672 10 5 DHBERN CCOc1ncnc(Oc2cc(C)c(Cl)c(C)c2)c1[N+](=O)[O-] ZINC000040659594 183114957 /nfs/dbraw/zinc/11/49/57/183114957.db2.gz WGKVJUAQCCGXFF-UHFFFAOYSA-N 0 0 323.736 3.846 10 5 DHBERN CCOc1ncnc(Oc2ccc(Cl)c(C)c2)c1[N+](=O)[O-] ZINC000040659595 183115002 /nfs/dbraw/zinc/11/50/02/183115002.db2.gz FMTJQSASUNHHFC-UHFFFAOYSA-N 0 0 309.709 3.538 10 5 DHBERN CCOc1ncnc(Oc2ccc3ccccc3c2)c1[N+](=O)[O-] ZINC000040586674 183105696 /nfs/dbraw/zinc/10/56/96/183105696.db2.gz HXFSKVHKJDVEOR-UHFFFAOYSA-N 0 0 311.297 3.729 10 5 DHBERN CCN(CC)c1ncnc(Nc2ccc(C)c(C)c2)c1[N+](=O)[O-] ZINC000040589926 183106140 /nfs/dbraw/zinc/10/61/40/183106140.db2.gz FAEFNBCJCPFRFA-UHFFFAOYSA-N 0 0 315.377 3.591 10 5 DHBERN CCCNc1ncnc(Nc2cccc(C)c2C)c1[N+](=O)[O-] ZINC000040596807 183107061 /nfs/dbraw/zinc/10/70/61/183107061.db2.gz NKVSIAJRHFHFMW-UHFFFAOYSA-N 0 0 301.350 3.567 10 5 DHBERN O=[N+]([O-])c1c(NCc2ccccc2)ncnc1Nc1ccccc1 ZINC000040599329 183107797 /nfs/dbraw/zinc/10/77/97/183107797.db2.gz RDTWMEXLZKMBBS-UHFFFAOYSA-N 0 0 321.340 3.741 10 5 DHBERN CCN(CC)c1ncnc(Nc2ccccc2Cl)c1[N+](=O)[O-] ZINC000040608048 183109154 /nfs/dbraw/zinc/10/91/54/183109154.db2.gz GUKRDUOXXFDDDI-UHFFFAOYSA-N 0 0 321.768 3.628 10 5 DHBERN Cc1cccc(Nc2ncc(Br)cc2[N+](=O)[O-])c1 ZINC000041541174 183200848 /nfs/dbraw/zinc/20/08/48/183200848.db2.gz HOXAJBKAJWREGO-UHFFFAOYSA-N 0 0 308.135 3.804 10 5 DHBERN COc1ccc([N+](=O)[O-])cc1Nc1cc(C)nc2nc(C)ccc12 ZINC000047162476 183582589 /nfs/dbraw/zinc/58/25/89/183582589.db2.gz FTDSHAPSJCNWEN-UHFFFAOYSA-N 0 0 324.340 3.907 10 5 DHBERN Nc1ccc2c(c1)CCC[C@@H]2Nc1cccc(F)c1[N+](=O)[O-] ZINC000262065146 331955138 /nfs/dbraw/zinc/95/51/38/331955138.db2.gz FIEROZRXZSGIHD-AWEZNQCLSA-N 0 0 301.321 3.806 10 5 DHBERN Cc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000088252879 332048069 /nfs/dbraw/zinc/04/80/69/332048069.db2.gz OQGTWQYVQPYUNR-NSHDSACASA-N 0 0 302.305 3.533 10 5 DHBERN CC[C@H](NC(=O)NCC1(C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000090604253 332090796 /nfs/dbraw/zinc/09/07/96/332090796.db2.gz QKYNNWCORFPLHK-AWEZNQCLSA-N 0 0 305.378 3.535 10 5 DHBERN COc1ccc([C@@H](C)Nc2cccc(F)c2[N+](=O)[O-])cc1OC ZINC000301068603 332969705 /nfs/dbraw/zinc/96/97/05/332969705.db2.gz FNSIVSHZSPXDSO-SNVBAGLBSA-N 0 0 320.320 3.924 10 5 DHBERN COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)c1cccs1 ZINC000020536121 333321261 /nfs/dbraw/zinc/32/12/61/333321261.db2.gz UAZWWHPWAGSSEZ-SECBINFHSA-N 0 0 321.358 3.548 10 5 DHBERN C[C@@H](Cc1cccc(F)c1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000301276574 336298243 /nfs/dbraw/zinc/29/82/43/336298243.db2.gz MBCJPGZFGUZWDE-VIFPVBQESA-N 0 0 309.728 3.825 10 5 DHBERN Cc1csc(CN(C)c2ccc([N+](=O)[O-])c3cccnc32)n1 ZINC000301290638 336298964 /nfs/dbraw/zinc/29/89/64/336298964.db2.gz OWOFGIYHVMXOPI-UHFFFAOYSA-N 0 0 314.370 3.544 10 5 DHBERN O=[N+]([O-])c1cccnc1N[C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000301416712 336305336 /nfs/dbraw/zinc/30/53/36/336305336.db2.gz MFKWTGIUZNFHNK-KBPBESRZSA-N 0 0 301.321 3.877 10 5 DHBERN CSC[C@H](C)N(C)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000301483904 336309659 /nfs/dbraw/zinc/30/96/59/336309659.db2.gz UVOKNHCTAJGGNI-QMMMGPOBSA-N 0 0 308.325 3.801 10 5 DHBERN C[C@@H](Cc1cccs1)N(C)c1ncc([N+](=O)[O-])cc1Cl ZINC000301490480 336310047 /nfs/dbraw/zinc/31/00/47/336310047.db2.gz MKABQZJCAYEPFK-VIFPVBQESA-N 0 0 311.794 3.772 10 5 DHBERN Cc1cc(N2CC[C@@H](C)[C@@H]2C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301498143 336310470 /nfs/dbraw/zinc/31/04/70/336310470.db2.gz VKUCVMLBVQRCPA-YPMHNXCESA-N 0 0 312.373 3.595 10 5 DHBERN O=[N+]([O-])c1ccc(N2CC[C@@H]3CCCC[C@@H]32)cc1OC(F)F ZINC000301582694 336316391 /nfs/dbraw/zinc/31/63/91/336316391.db2.gz QEJOCONHMJDOHI-JQWIXIFHSA-N 0 0 312.316 3.965 10 5 DHBERN COCC[C@H](Nc1ncccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000301636668 336319773 /nfs/dbraw/zinc/31/97/73/336319773.db2.gz LANLVBXJCVQURH-ZDUSSCGKSA-N 0 0 321.764 3.833 10 5 DHBERN Cc1cc([N+](=O)[O-])ccc1NCCc1nc2cc(F)ccc2[nH]1 ZINC000301713510 336325137 /nfs/dbraw/zinc/32/51/37/336325137.db2.gz IXWJPJYFXDSKNA-UHFFFAOYSA-N 0 0 314.320 3.573 10 5 DHBERN Cc1cc(N(C)CCC2CC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301750733 336327673 /nfs/dbraw/zinc/32/76/73/336327673.db2.gz ATVDWZOHAABKOE-UHFFFAOYSA-N 0 0 312.373 3.597 10 5 DHBERN Cc1ccc(NCc2cccc(-c3cnn(C)c3)c2)c([N+](=O)[O-])c1 ZINC000301899772 336337229 /nfs/dbraw/zinc/33/72/29/336337229.db2.gz YKIATWJFIKNUHH-UHFFFAOYSA-N 0 0 322.368 3.916 10 5 DHBERN CC(C)(C)Oc1cc(CNc2ccc([N+](=O)[O-])cc2F)ccn1 ZINC000301911740 336337697 /nfs/dbraw/zinc/33/76/97/336337697.db2.gz COJCISHHWFITET-UHFFFAOYSA-N 0 0 319.336 3.918 10 5 DHBERN C[C@@H](CNc1cc(CO)ccc1[N+](=O)[O-])Sc1ccccc1 ZINC000302014610 336343198 /nfs/dbraw/zinc/34/31/98/336343198.db2.gz BSIWSVZCYYFTRN-LBPRGKRZSA-N 0 0 318.398 3.680 10 5 DHBERN CCS[C@@H]1CCC[C@@H](Nc2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302014109 336343199 /nfs/dbraw/zinc/34/31/99/336343199.db2.gz BLPHYCZNAUXXOU-CHWSQXEVSA-N 0 0 310.419 3.563 10 5 DHBERN CC(C)(CNc1cc(CO)ccc1[N+](=O)[O-])c1cccs1 ZINC000302027204 336344069 /nfs/dbraw/zinc/34/40/69/336344069.db2.gz IMAUIWMDMXETED-UHFFFAOYSA-N 0 0 306.387 3.538 10 5 DHBERN CC1(C)C[C@@H](Nc2cc(CO)ccc2[N+](=O)[O-])c2ccccc21 ZINC000302076197 336347193 /nfs/dbraw/zinc/34/71/93/336347193.db2.gz YBFKQKRNGINTHG-MRXNPFEDSA-N 0 0 312.369 3.922 10 5 DHBERN Cc1c(CNc2cc(CO)ccc2[N+](=O)[O-])oc2ccccc12 ZINC000302076665 336347314 /nfs/dbraw/zinc/34/73/14/336347314.db2.gz YLTJCSKFXUGUIH-UHFFFAOYSA-N 0 0 312.325 3.754 10 5 DHBERN Cc1ccc([C@](C)(O)CNc2c(C)cc([N+](=O)[O-])cc2Cl)o1 ZINC000302812140 336370141 /nfs/dbraw/zinc/37/01/41/336370141.db2.gz HHUHGSKBIRJQSH-OAHLLOKOSA-N 0 0 324.764 3.778 10 5 DHBERN C[C@H]1CN(c2cc(F)ccc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000302821434 336370543 /nfs/dbraw/zinc/37/05/43/336370543.db2.gz QNMPGUBSHDKZIW-SJCJKPOMSA-N 0 0 316.332 3.700 10 5 DHBERN O=[N+]([O-])c1ccc(Oc2ncnc3c(F)cccc23)cc1F ZINC000302887152 336373278 /nfs/dbraw/zinc/37/32/78/336373278.db2.gz LWLRTFFTFOBDEZ-UHFFFAOYSA-N 0 0 303.224 3.609 10 5 DHBERN CCNc1cc(-c2ccc([N+](=O)[O-])cc2)sc1C(=O)OC ZINC000584630125 337376704 /nfs/dbraw/zinc/37/67/04/337376704.db2.gz JJGUINNMKAAIQV-UHFFFAOYSA-N 0 0 306.343 3.542 10 5 DHBERN Cc1ccc([C@@H](C)NC(=O)c2ccccc2[N+](=O)[O-])cc1F ZINC000121685966 337897181 /nfs/dbraw/zinc/89/71/81/337897181.db2.gz ZUDZQJPUMFPEDD-LLVKDONJSA-N 0 0 302.305 3.533 10 5 DHBERN CCc1ccc(C(=O)N[C@H](C)c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000174088729 340381728 /nfs/dbraw/zinc/38/17/28/340381728.db2.gz YCXMZWARXUDGDF-LLVKDONJSA-N 0 0 302.330 3.550 10 5 DHBERN CC[C@@H](NC(=O)NC[C@H]1CC=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000176005532 340424478 /nfs/dbraw/zinc/42/44/78/340424478.db2.gz KPYDVEAWBFTKLT-XJKSGUPXSA-N 0 0 317.389 3.701 10 5 DHBERN O=C(N[C@H]1CCCc2cc(F)ccc21)c1ccc([N+](=O)[O-])s1 ZINC000153302891 341534008 /nfs/dbraw/zinc/53/40/08/341534008.db2.gz WYRKDLAYJZHLCH-LBPRGKRZSA-N 0 0 320.345 3.603 10 5 DHBERN CCC1CCC(NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000154393869 341588828 /nfs/dbraw/zinc/58/88/28/341588828.db2.gz ASZJHDTWJIDNQD-UHFFFAOYSA-N 0 0 304.390 3.612 10 5 DHBERN O=[N+]([O-])c1cccc(F)c1CN1CCCC[C@@H]1c1nccs1 ZINC000171637799 341781733 /nfs/dbraw/zinc/78/17/33/341781733.db2.gz DTGLSKLMEQZGSI-CQSZACIVSA-N 0 0 321.377 3.918 10 5 DHBERN CC[C@@H](NC(=O)c1sccc1C)c1cccc([N+](=O)[O-])c1 ZINC000177797328 522803739 /nfs/dbraw/zinc/80/37/39/522803739.db2.gz YTLZRPDZGIEDAJ-CYBMUJFWSA-N 0 0 304.371 3.846 10 5 DHBERN CC[C@@H](NCc1nccn1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181543076 522895067 /nfs/dbraw/zinc/89/50/67/522895067.db2.gz XCHVZRGCAKRJOC-OAHLLOKOSA-N 0 0 302.378 3.613 10 5 DHBERN COc1ccc(Br)c2ncc([N+](=O)[O-])c(Cl)c12 ZINC000098061920 563523296 /nfs/dbraw/zinc/52/32/96/563523296.db2.gz UJBZYZCMBDDYIP-UHFFFAOYSA-N 0 0 317.526 3.568 10 5 DHBERN C[C@H](O)c1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000226274747 563913594 /nfs/dbraw/zinc/91/35/94/563913594.db2.gz YKVOBZYFQYKKQC-VIFPVBQESA-N 0 0 320.732 3.554 10 5 DHBERN C[C@@H](O)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000226273692 563913617 /nfs/dbraw/zinc/91/36/17/563913617.db2.gz IYNFTUUYRFDGEP-SECBINFHSA-N 0 0 320.732 3.554 10 5 DHBERN C[C@H](O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000165196164 563961670 /nfs/dbraw/zinc/96/16/70/563961670.db2.gz RLZTXOHTNAJLEX-VIFPVBQESA-N 0 0 320.732 3.554 10 5 DHBERN c1cc2c(cnc3c2ccc2cc4c(cc23)OCO4)c2c1OCO2 ZINC000001727527 574411489 /nfs/dbraw/zinc/41/14/89/574411489.db2.gz CNXVDVMAYXLWPD-UHFFFAOYSA-N 0 0 317.300 3.999 10 5 endogenous,in-man DHBERN COc1ccc2c(=O)cc(-c3ccc(C)c([N+](=O)[O-])c3)oc2c1 ZINC000090548456 185302527 /nfs/dbraw/zinc/30/25/27/185302527.db2.gz ITWMCVKGBHEMPR-UHFFFAOYSA-N 0 0 311.293 3.685 10 5 DHBERN COc1cccc2oc(-c3ccc(C)c([N+](=O)[O-])c3)cc(=O)c12 ZINC000090554948 185303139 /nfs/dbraw/zinc/30/31/39/185303139.db2.gz UIIPFHHLZRYTLA-UHFFFAOYSA-N 0 0 311.293 3.685 10 5 DHBERN Cc1cc([N+](=O)[O-])ccc1NC(=S)Nc1ccc(F)cc1 ZINC000005587587 181261193 /nfs/dbraw/zinc/26/11/93/181261193.db2.gz LWNRTJBYGWXESE-UHFFFAOYSA-N 0 0 305.334 3.851 10 5 DHBERN Cc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1C ZINC000005814914 181286359 /nfs/dbraw/zinc/28/63/59/181286359.db2.gz DHXBLTUOFCRGMT-UHFFFAOYSA-N 0 0 314.341 3.538 10 5 DHBERN COc1cc2c(c3c1c(=O)c1ccccc1n3C)CCC(C)(C)O2 ZINC000005835822 181288350 /nfs/dbraw/zinc/28/83/50/181288350.db2.gz KUCGZVVCEUHLAY-UHFFFAOYSA-N 0 0 323.392 3.804 10 5 DHBERN O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cccc(Cl)c1 ZINC000006152335 181316571 /nfs/dbraw/zinc/31/65/71/181316571.db2.gz HKMKBTWRXPOYFT-CMDGGOBGSA-N 0 0 302.717 3.900 10 5 DHBERN O=[N+]([O-])c1ccc2c(c1)c(-c1ccncc1)nn2[C@H]1CCCCO1 ZINC000199932130 201426234 /nfs/dbraw/zinc/42/62/34/201426234.db2.gz RTPBXFCITITWQO-MRXNPFEDSA-N 0 0 324.340 3.706 10 5 DHBERN Cc1cccc(C)c1O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000014042520 181922581 /nfs/dbraw/zinc/92/25/81/181922581.db2.gz YSYVRFJTVUIYEI-ZDUSSCGKSA-N 0 0 314.341 3.618 10 5 DHBERN O=Cc1ccc(Oc2cccc(Br)c2)c([N+](=O)[O-])c1 ZINC000020298771 182203835 /nfs/dbraw/zinc/20/38/35/182203835.db2.gz YDOAXFWNHIMXJF-UHFFFAOYSA-N 0 0 322.114 3.962 10 5 DHBERN Cc1ccc([C@@H](C)NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000037976464 182948208 /nfs/dbraw/zinc/94/82/08/182948208.db2.gz YZWQQCLQASEBDZ-SECBINFHSA-N 0 0 308.721 3.641 10 5 DHBERN O=[N+]([O-])c1ccc(Oc2cc(Br)ccc2CO)cc1 ZINC000038080256 182986431 /nfs/dbraw/zinc/98/64/31/182986431.db2.gz AKEJDEJIKNTWFO-UHFFFAOYSA-N 0 0 324.130 3.642 10 5 DHBERN CCNc1ncnc(Nc2cccc3ccccc32)c1[N+](=O)[O-] ZINC000040596243 183106546 /nfs/dbraw/zinc/10/65/46/183106546.db2.gz VJXVHUXRUINTBY-UHFFFAOYSA-N 0 0 309.329 3.713 10 5 DHBERN Cc1ccc(C)c(Nc2ncnc(NC(C)C)c2[N+](=O)[O-])c1 ZINC000040591730 183106822 /nfs/dbraw/zinc/10/68/22/183106822.db2.gz UFJOPTHECCGOQV-UHFFFAOYSA-N 0 0 301.350 3.566 10 5 DHBERN CCCNc1ncnc(Nc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000040596945 183107084 /nfs/dbraw/zinc/10/70/84/183107084.db2.gz NJEFZRYFRGAOLG-UHFFFAOYSA-N 0 0 307.741 3.604 10 5 DHBERN O=[N+]([O-])c1c(Nc2ccccc2F)ncnc1NC1CCCC1 ZINC000040627792 183110718 /nfs/dbraw/zinc/11/07/18/183110718.db2.gz PDVNZQKORVNZEX-UHFFFAOYSA-N 0 0 317.324 3.622 10 5 DHBERN CN(c1ccccc1)c1ncnc(NC2CCCC2)c1[N+](=O)[O-] ZINC000040625598 183110995 /nfs/dbraw/zinc/11/09/95/183110995.db2.gz UYKAUAFTRNUNNC-UHFFFAOYSA-N 0 0 313.361 3.507 10 5 DHBERN C[C@@H](Nc1c(Br)cncc1[N+](=O)[O-])c1ccco1 ZINC000231628762 335065210 /nfs/dbraw/zinc/06/52/10/335065210.db2.gz PEVZQUXBASTMHF-SSDOTTSWSA-N 0 0 312.123 3.518 10 5 DHBERN C[C@H](Cc1cccc(F)c1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000301276572 336298201 /nfs/dbraw/zinc/29/82/01/336298201.db2.gz MBCJPGZFGUZWDE-SECBINFHSA-N 0 0 309.728 3.825 10 5 DHBERN Cc1cc(N[C@H]2CC=CCC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301331789 336301031 /nfs/dbraw/zinc/30/10/31/336301031.db2.gz LSGGQGPGQQQLCC-AWEZNQCLSA-N 0 0 310.357 3.881 10 5 DHBERN O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@H]2c2ccc(F)cc2)nc1 ZINC000301450203 336307541 /nfs/dbraw/zinc/30/75/41/336307541.db2.gz WZYDIDVZKUFFCU-LSDHHAIUSA-N 0 0 301.321 3.877 10 5 DHBERN O=[N+]([O-])c1ccc(N2C[C@@H]3CC=CC[C@@H]3C2)c(Br)c1 ZINC000301460371 336308208 /nfs/dbraw/zinc/30/82/08/336308208.db2.gz ZWKCKZDVEVIAKA-PHIMTYICSA-N 0 0 323.190 3.760 10 5 DHBERN CO[C@@H](C)c1nc(CN(C)c2ccc(C)cc2[N+](=O)[O-])cs1 ZINC000301539967 336313505 /nfs/dbraw/zinc/31/35/05/336313505.db2.gz JTMQBHWVTHLFPR-NSHDSACASA-N 0 0 321.402 3.704 10 5 DHBERN COCC[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000301620184 336318671 /nfs/dbraw/zinc/31/86/71/336318671.db2.gz DSGKHUADTYKMOO-AWEZNQCLSA-N 0 0 321.764 3.833 10 5 DHBERN CO[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000301787435 336329787 /nfs/dbraw/zinc/32/97/87/336329787.db2.gz PVOSKUJKLMSFHV-MWLCHTKSSA-N 0 0 318.295 3.983 10 5 DHBERN CO[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000301787432 336329850 /nfs/dbraw/zinc/32/98/50/336329850.db2.gz PVOSKUJKLMSFHV-GXSJLCMTSA-N 0 0 318.295 3.983 10 5 DHBERN Cc1nc(CNc2ccc3cc([N+](=O)[O-])ccc3n2)c(C)s1 ZINC000301823190 336332312 /nfs/dbraw/zinc/33/23/12/336332312.db2.gz CKDUSEOXHMDSOO-UHFFFAOYSA-N 0 0 314.370 3.828 10 5 DHBERN O=[N+]([O-])c1ccc(CO)cc1N[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000302030310 336344202 /nfs/dbraw/zinc/34/42/02/336344202.db2.gz JREHCSQJFMMXRX-KBPBESRZSA-N 0 0 318.760 3.709 10 5 DHBERN CC(C)Oc1ccc(CNc2cc(F)ccc2[N+](=O)[O-])cn1 ZINC000302824200 336370831 /nfs/dbraw/zinc/37/08/31/336370831.db2.gz WKOJKQMQTQKEKF-UHFFFAOYSA-N 0 0 305.309 3.528 10 5 DHBERN Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(C)c1 ZINC000108951333 336394814 /nfs/dbraw/zinc/39/48/14/336394814.db2.gz SVACUSGFKBMIHX-INIZCTEOSA-N 0 0 314.389 3.595 10 5 DHBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccco1 ZINC000121496022 336955859 /nfs/dbraw/zinc/95/58/59/336955859.db2.gz QRBXGHYTGPVPCH-CYBMUJFWSA-N 0 0 320.732 3.819 10 5 DHBERN O=[N+]([O-])c1ccc2oc(CN3CCC[C@H]3c3ccco3)nc2c1 ZINC000177080952 337155272 /nfs/dbraw/zinc/15/52/72/337155272.db2.gz FMQWBVBLQHPYOW-ZDUSSCGKSA-N 0 0 313.313 3.666 10 5 DHBERN C[C@@H](COCc1ccccc1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000172780858 340341441 /nfs/dbraw/zinc/34/14/41/340341441.db2.gz IUSJTOBCARLJOP-NSHDSACASA-N 0 0 321.764 3.660 10 5 DHBERN Cc1ccc([C@@H](C)NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)o1 ZINC000191404298 340553948 /nfs/dbraw/zinc/55/39/48/340553948.db2.gz YHARLHAVECTWHJ-GFCCVEGCSA-N 0 0 317.345 3.996 10 5 DHBERN Nc1cccc2c1CCCN2Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000262383613 341521233 /nfs/dbraw/zinc/52/12/33/341521233.db2.gz YYDGBIAXOITWAL-UHFFFAOYSA-N 0 0 317.776 3.783 10 5 DHBERN COc1c2c3c(cc4ccccc4c3c(OC)c1OC)NC2=O ZINC000014779276 563671979 /nfs/dbraw/zinc/67/19/79/563671979.db2.gz GYYIMUXZCUHECT-UHFFFAOYSA-N 0 0 309.321 3.585 10 5 endogenous,in-man DHBERN O=[N+]([O-])c1cc2nc(Cl)nc(Cl)c2cc1Br ZINC000148139006 186042974 /nfs/dbraw/zinc/04/29/74/186042974.db2.gz PSFHRDMSPZJDOW-UHFFFAOYSA-N 0 0 322.933 3.607 10 5 DHBERN C[C@@H](C[N+]1([O-])CCCC1)C(O)(c1ccccc1)c1ccccc1 ZINC000003607263 181039288 /nfs/dbraw/zinc/03/92/88/181039288.db2.gz JUIPBANTMPTUJL-KRWDZBQOSA-N 0 0 311.425 3.667 10 5 DHBERN O=[N+]([O-])c1c(Cl)sc(NCc2cccs2)c1[N+](=O)[O-] ZINC000005263622 181223517 /nfs/dbraw/zinc/22/35/17/181223517.db2.gz PPPGZSNNICKVCI-UHFFFAOYSA-N 0 0 319.751 3.892 10 5 DHBERN CC[S@@](=O)c1c2cc(OC)ccc2nc2ccc(OC)cc21 ZINC000005582569 181260741 /nfs/dbraw/zinc/26/07/41/181260741.db2.gz FNWQSNYSPZQNSF-QFIPXVFZSA-N 0 0 315.394 3.533 10 5 DHBERN Cc1ccc(NC(=O)COc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000005698341 181274133 /nfs/dbraw/zinc/27/41/33/181274133.db2.gz TZLMGBKRAYJWHR-UHFFFAOYSA-N 0 0 320.732 3.574 10 5 DHBERN COc1c(O)ccc2c3ccc4cc5c(cc4c3ncc21)OCO5 ZINC000005998671 181304300 /nfs/dbraw/zinc/30/43/00/181304300.db2.gz GJJFWGQGJJGJEO-UHFFFAOYSA-N 0 0 319.316 3.984 10 5 biogenic DHBERN O=C(Nc1ccccn1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000006616667 181361606 /nfs/dbraw/zinc/36/16/06/181361606.db2.gz IGZGAPRVYQWRQY-UHFFFAOYSA-N 0 0 309.281 3.502 10 5 DHBERN Cc1ccccc1[C@H](C)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000022160818 182312283 /nfs/dbraw/zinc/31/22/83/182312283.db2.gz OLXBHDVWMKCFHQ-JTQLQIEISA-N 0 0 302.359 3.786 10 5 DHBERN C[C@H](Oc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(Cl)c1 ZINC000037974494 182946628 /nfs/dbraw/zinc/94/66/28/182946628.db2.gz QOLYPPKSWOXYSO-JTQLQIEISA-N 0 0 305.717 3.898 10 5 DHBERN CCN(c1cccc(C)c1)c1ncnc(NC(C)C)c1[N+](=O)[O-] ZINC000040572222 183104144 /nfs/dbraw/zinc/10/41/44/183104144.db2.gz BRGQTGOBVICZIK-UHFFFAOYSA-N 0 0 315.377 3.672 10 5 DHBERN Cc1ccc(C)c(Nc2ncnc(NC(C)(C)C)c2[N+](=O)[O-])c1 ZINC000040581519 183105046 /nfs/dbraw/zinc/10/50/46/183105046.db2.gz MIKLIGNPWURSAL-UHFFFAOYSA-N 0 0 315.377 3.956 10 5 DHBERN CCCNc1ncnc(Nc2cc(C)ccc2C)c1[N+](=O)[O-] ZINC000040591728 183106841 /nfs/dbraw/zinc/10/68/41/183106841.db2.gz VHAAAEWGSRCHPO-UHFFFAOYSA-N 0 0 301.350 3.567 10 5 DHBERN CCCCN(C)c1ncnc(Oc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000040612092 183109060 /nfs/dbraw/zinc/10/90/60/183109060.db2.gz IGYUHZUSBCFCBW-UHFFFAOYSA-N 0 0 316.361 3.722 10 5 DHBERN CCOC(=O)c1cc(N[C@H](C)c2ccco2)ccc1[N+](=O)[O-] ZINC000121225564 132152603 /nfs/dbraw/zinc/15/26/03/132152603.db2.gz SFCFLVWEBAXPQW-SNVBAGLBSA-N 0 0 304.302 3.538 10 5 DHBERN C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)C(C)(C)C ZINC000122455195 132166626 /nfs/dbraw/zinc/16/66/26/132166626.db2.gz WICAAWZDFXADIC-ZETCQYMHSA-N 0 0 302.172 3.599 10 5 DHBERN O=[N+]([O-])c1cnc(Cl)nc1Nc1ccc(Cl)c(F)c1 ZINC000224990229 262504921 /nfs/dbraw/zinc/50/49/21/262504921.db2.gz VIPUSSNQCKPXFD-UHFFFAOYSA-N 0 0 303.080 3.574 10 5 DHBERN CC[C@H](NC(=O)NCCC1=CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000090619985 332013153 /nfs/dbraw/zinc/01/31/53/332013153.db2.gz HSRGRZMLUOJBDZ-INIZCTEOSA-N 0 0 317.389 3.846 10 5 DHBERN C[C@H](COCc1ccccc1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000390708104 333316586 /nfs/dbraw/zinc/31/65/86/333316586.db2.gz TUPRBFBDIQIWRI-GFCCVEGCSA-N 0 0 304.321 3.751 10 5 DHBERN COc1cc(N[C@H](C)COCc2ccccc2)ccc1[N+](=O)[O-] ZINC000390711994 333317377 /nfs/dbraw/zinc/31/73/77/333317377.db2.gz YIGVYLWZWYZGPA-CYBMUJFWSA-N 0 0 316.357 3.621 10 5 DHBERN CCOc1cccc(N[C@H](C)c2cccc(O)c2)c1[N+](=O)[O-] ZINC000184104567 333339918 /nfs/dbraw/zinc/33/99/18/333339918.db2.gz PRCTYIPCKXKINU-LLVKDONJSA-N 0 0 302.330 3.872 10 5 DHBERN CC(=O)c1ccc(N[C@H](C)Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000301270345 336297919 /nfs/dbraw/zinc/29/79/19/336297919.db2.gz GURIAQDRNOFGIU-LLVKDONJSA-N 0 0 316.332 3.980 10 5 DHBERN Cc1ccnc(NCC2(c3ccccc3F)CC2)c1[N+](=O)[O-] ZINC000301275663 336298147 /nfs/dbraw/zinc/29/81/47/336298147.db2.gz LXGLJQLDCSDWAT-UHFFFAOYSA-N 0 0 301.321 3.581 10 5 DHBERN Cc1cc(N[C@@H]2C[C@@H]2c2cccc(Cl)c2)ncc1[N+](=O)[O-] ZINC000301441266 336306927 /nfs/dbraw/zinc/30/69/27/336306927.db2.gz OVMPBXFZXFIAFU-CHWSQXEVSA-N 0 0 303.749 3.920 10 5 DHBERN Cc1ccc([C@H]2C[C@H](C)CCN2c2ccc([N+](=O)[O-])cn2)o1 ZINC000301444290 336307228 /nfs/dbraw/zinc/30/72/28/336307228.db2.gz NLTNTMMMCSVKPO-BXUZGUMPSA-N 0 0 301.346 3.869 10 5 DHBERN O=[N+]([O-])c1ccc(N2C[C@H]3CC=CC[C@@H]3C2)c(Br)c1 ZINC000301460370 336308233 /nfs/dbraw/zinc/30/82/33/336308233.db2.gz ZWKCKZDVEVIAKA-GHMZBOCLSA-N 0 0 323.190 3.760 10 5 DHBERN Cc1ccc([C@](C)(O)CNc2cc(C)c([N+](=O)[O-])cc2Cl)o1 ZINC000301482045 336309594 /nfs/dbraw/zinc/30/95/94/336309594.db2.gz STDPQMXLMOMZAH-OAHLLOKOSA-N 0 0 324.764 3.778 10 5 DHBERN CO[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000301800409 336330806 /nfs/dbraw/zinc/33/08/06/336330806.db2.gz VZFBTOKJSLPIRC-GXSJLCMTSA-N 0 0 318.295 3.983 10 5 DHBERN CO[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000301800415 336330918 /nfs/dbraw/zinc/33/09/18/336330918.db2.gz VZFBTOKJSLPIRC-ONGXEEELSA-N 0 0 318.295 3.983 10 5 DHBERN COC(=O)c1cc(Oc2ccc(F)c(C)c2)ccc1[N+](=O)[O-] ZINC000301953067 336339727 /nfs/dbraw/zinc/33/97/27/336339727.db2.gz IYGLQTNKNSWXBW-UHFFFAOYSA-N 0 0 305.261 3.621 10 5 DHBERN COc1cc(F)cc(Nc2cc(OC)cc(F)c2[N+](=O)[O-])c1 ZINC000301956778 336339945 /nfs/dbraw/zinc/33/99/45/336339945.db2.gz MWXIETVDQHNZDP-UHFFFAOYSA-N 0 0 310.256 3.634 10 5 DHBERN Cc1cccc([C@@H](C)Nc2cc(CO)ccc2[N+](=O)[O-])c1C ZINC000302031925 336344279 /nfs/dbraw/zinc/34/42/79/336344279.db2.gz KIQCOGBMXLBUJM-CYBMUJFWSA-N 0 0 300.358 3.877 10 5 DHBERN O=[N+]([O-])c1ccc(CO)cc1N[C@@H]1CCCc2ccc(F)cc21 ZINC000302067213 336346686 /nfs/dbraw/zinc/34/66/86/336346686.db2.gz URRRCVAIAQTMRO-OAHLLOKOSA-N 0 0 316.332 3.716 10 5 DHBERN CSc1cccc(C(=O)N[C@@H](C)c2ccc(C)o2)c1[N+](=O)[O-] ZINC000188028900 337270200 /nfs/dbraw/zinc/27/02/00/337270200.db2.gz WHIHMXREDALKIH-JTQLQIEISA-N 0 0 320.370 3.709 10 5 DHBERN CCOCC(C)(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000584635528 337375245 /nfs/dbraw/zinc/37/52/45/337375245.db2.gz UJUKJSFCIQWUHX-UHFFFAOYSA-N 0 0 302.168 3.671 10 5 DHBERN O=[N+]([O-])c1ccc(F)cc1CN1CCCC[C@H]1c1nccs1 ZINC000195359548 337466167 /nfs/dbraw/zinc/46/61/67/337466167.db2.gz KSAFYJZRBRAAPF-AWEZNQCLSA-N 0 0 321.377 3.918 10 5 DHBERN CCc1cnc([C@H](C)Nc2ccc([N+](=O)[O-])c(OC)c2)s1 ZINC000134927793 341226761 /nfs/dbraw/zinc/22/67/61/341226761.db2.gz OECGVYWPKLZJRT-VIFPVBQESA-N 0 0 307.375 3.795 10 5 DHBERN C[C@H](Nc1ncnc2sc([N+](=O)[O-])cc21)c1cccs1 ZINC000336842972 341807443 /nfs/dbraw/zinc/80/74/43/341807443.db2.gz VVIIGXWCYCIMHF-ZETCQYMHSA-N 0 0 306.372 3.834 10 5 DHBERN CC[C@@H](NC(=O)CCc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000177780393 522678717 /nfs/dbraw/zinc/67/87/17/522678717.db2.gz MSCMWJYMVZJDIE-OAHLLOKOSA-N 0 0 318.398 3.856 10 5 DHBERN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC12CCC2 ZINC000081416600 1022989256 /nfs/dbraw/zinc/98/92/56/1022989256.db2.gz JPUVBUNHVNCPCG-UHFFFAOYSA-N 0 0 302.355 3.578 10 5 DHBERN O=[N+]([O-])c1ccc2nc(-c3ccc(OC(F)F)cc3)cn2c1 ZINC000003318046 181004239 /nfs/dbraw/zinc/00/42/39/181004239.db2.gz BAKHLDCYWPGICS-UHFFFAOYSA-N 0 0 305.240 3.511 10 5 DHBERN Cc1ccc(NC(=O)COc2c(C)cccc2C)c([N+](=O)[O-])c1 ZINC000005698332 181274310 /nfs/dbraw/zinc/27/43/10/181274310.db2.gz RDNXEDWPYAXIQB-UHFFFAOYSA-N 0 0 314.341 3.538 10 5 DHBERN C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000008318972 181547529 /nfs/dbraw/zinc/54/75/29/181547529.db2.gz OCPTZDROOVQIIV-QMMMGPOBSA-N 0 0 306.322 3.616 10 5 DHBERN CSc1ccccc1NC(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000037976903 182948615 /nfs/dbraw/zinc/94/86/15/182948615.db2.gz YTIYMRCZXFJDFA-UHFFFAOYSA-N 0 0 306.318 3.708 10 5 DHBERN O=[N+]([O-])c1cccc(-c2cn3ccc(C(F)(F)F)cc3n2)c1 ZINC000039325725 183017092 /nfs/dbraw/zinc/01/70/92/183017092.db2.gz SAETVOZSUBWKHW-UHFFFAOYSA-N 0 0 307.231 3.928 10 5 DHBERN CC(C)CCNc1ncnc(Nc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000040649404 183114458 /nfs/dbraw/zinc/11/44/58/183114458.db2.gz NNJWKENTGIGEEN-UHFFFAOYSA-N 0 0 319.340 3.726 10 5 DHBERN CCCCc1ccc(Nc2ncnc(NC)c2[N+](=O)[O-])cc1 ZINC000040581031 183104949 /nfs/dbraw/zinc/10/49/49/183104949.db2.gz IFFMCAQNEJXFAX-UHFFFAOYSA-N 0 0 301.350 3.513 10 5 DHBERN Cc1ccc(Nc2ncnc(NC(C)(C)C)c2[N+](=O)[O-])cc1 ZINC000040581724 183105051 /nfs/dbraw/zinc/10/50/51/183105051.db2.gz BXQJSCLFEWRNHU-UHFFFAOYSA-N 0 0 301.350 3.647 10 5 DHBERN Cc1cc(C)cc(Oc2ncnc(NC(C)C)c2[N+](=O)[O-])c1 ZINC000040582524 183105286 /nfs/dbraw/zinc/10/52/86/183105286.db2.gz IVIWLNBUPKDBMC-UHFFFAOYSA-N 0 0 302.334 3.614 10 5 DHBERN O=C(Oc1cccnc1)c1cc2c(ccc3ccccc32)oc1=O ZINC000040803662 183135822 /nfs/dbraw/zinc/13/58/22/183135822.db2.gz INVBXVYQUOQICF-UHFFFAOYSA-N 0 0 317.300 3.560 10 5 DHBERN Cc1ccc([C@H](C)NC(=O)c2csc([N+](=O)[O-])c2)cc1F ZINC000088234769 332047926 /nfs/dbraw/zinc/04/79/26/332047926.db2.gz ANNZRFBQCYUGSJ-VIFPVBQESA-N 0 0 308.334 3.595 10 5 DHBERN Cc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])s2)cc1F ZINC000088233643 332047961 /nfs/dbraw/zinc/04/79/61/332047961.db2.gz IGCSGYPNOWSHAD-SECBINFHSA-N 0 0 308.334 3.595 10 5 DHBERN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(F)c(F)c3)no2)c(F)c1 ZINC000109536354 332281365 /nfs/dbraw/zinc/28/13/65/332281365.db2.gz OJIULRXYPLRTJM-UHFFFAOYSA-N 0 0 321.214 3.729 10 5 DHBERN Nc1ccc2c(c1)CCC[C@H]2Nc1ccc([N+](=O)[O-])cc1F ZINC000262117822 332298557 /nfs/dbraw/zinc/29/85/57/332298557.db2.gz KLDKOZCPKBQRCO-OAHLLOKOSA-N 0 0 301.321 3.806 10 5 DHBERN CO[C@H]1CCC[C@@H](Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000301777363 332978778 /nfs/dbraw/zinc/97/87/78/332978778.db2.gz LXEJGOPLXBVVRB-MNOVXSKESA-N 0 0 318.295 3.983 10 5 DHBERN CC[C@@H]1C[C@H](C(=O)O[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000181001278 333166746 /nfs/dbraw/zinc/16/67/46/333166746.db2.gz BKOCBLGSIVHWEI-NWANDNLSSA-N 0 0 321.373 3.713 10 5 DHBERN Cc1ccc2c(c1)[C@H](NC(=O)c1cccc(C)c1[N+](=O)[O-])[C@H](C)C2 ZINC000182226939 333206006 /nfs/dbraw/zinc/20/60/06/333206006.db2.gz GXXRHERPFICQOW-CXAGYDPISA-N 0 0 324.380 3.875 10 5 DHBERN Cc1cc(N[C@@H](C)COCc2ccccc2)ccc1[N+](=O)[O-] ZINC000390664522 333312606 /nfs/dbraw/zinc/31/26/06/333312606.db2.gz RRXMROSBJZAWLN-AWEZNQCLSA-N 0 0 300.358 3.920 10 5 DHBERN COC(=O)c1cc(Oc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000301087489 336289263 /nfs/dbraw/zinc/28/92/63/336289263.db2.gz QZWHNZNQONTFEF-UHFFFAOYSA-N 0 0 307.689 3.827 10 5 DHBERN CCN(CC1CC1)c1cc(C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301273412 336297971 /nfs/dbraw/zinc/29/79/71/336297971.db2.gz YCRYARMDZTUUAQ-UHFFFAOYSA-N 0 0 312.373 3.597 10 5 DHBERN Cc1cc(N[C@@H]2CC=CCC2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301331790 336300998 /nfs/dbraw/zinc/30/09/98/336300998.db2.gz LSGGQGPGQQQLCC-CQSZACIVSA-N 0 0 310.357 3.881 10 5 DHBERN Cc1ccc(NC[C@@H](O)c2ccc(Cl)s2)c([N+](=O)[O-])c1 ZINC000301472873 336309071 /nfs/dbraw/zinc/30/90/71/336309071.db2.gz LGNKMSSSUYNJEW-LLVKDONJSA-N 0 0 312.778 3.764 10 5 DHBERN CCS[C@H]1CC[C@H](Nc2cc(OC)cc(F)c2[N+](=O)[O-])C1 ZINC000301486733 336309896 /nfs/dbraw/zinc/30/98/96/336309896.db2.gz XVYQWDYMFKHLPQ-ONGXEEELSA-N 0 0 314.382 3.829 10 5 DHBERN COCC[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000301620185 336318706 /nfs/dbraw/zinc/31/87/06/336318706.db2.gz DSGKHUADTYKMOO-CQSZACIVSA-N 0 0 321.764 3.833 10 5 DHBERN O=[N+]([O-])c1ccc(Br)cc1N1C[C@@H]2CCC[C@H]2C1 ZINC000301663195 336321567 /nfs/dbraw/zinc/32/15/67/336321567.db2.gz KHTMCNDOMHZUHH-UWVGGRQHSA-N 0 0 311.179 3.594 10 5 DHBERN CC(=O)N(C)Cc1cccc(Nc2ccc(C)cc2[N+](=O)[O-])c1 ZINC000301837535 336333305 /nfs/dbraw/zinc/33/33/05/336333305.db2.gz YEDNAVCKGJEHST-UHFFFAOYSA-N 0 0 313.357 3.625 10 5 DHBERN Cc1cc(N2CCS[C@H](C)[C@@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000302026070 336343964 /nfs/dbraw/zinc/34/39/64/336343964.db2.gz QGCKXAOPLMBKPX-NWDGAFQWSA-N 0 0 317.414 3.782 10 5 DHBERN O=[N+]([O-])c1ccc(CO)cc1N[C@@H]1CCCc2cc(F)ccc21 ZINC000302040455 336345041 /nfs/dbraw/zinc/34/50/41/336345041.db2.gz NMPSGERECBKJKN-OAHLLOKOSA-N 0 0 316.332 3.716 10 5 DHBERN O=C1CCc2cc(Oc3c(F)cc([N+](=O)[O-])cc3F)ccc21 ZINC000302542982 336361199 /nfs/dbraw/zinc/36/11/99/336361199.db2.gz OICCNXTXMRHBTD-UHFFFAOYSA-N 0 0 305.236 3.794 10 5 DHBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000302819150 336370466 /nfs/dbraw/zinc/37/04/66/336370466.db2.gz JGBJAWMPFKYYTG-MLGOLLRUSA-N 0 0 324.808 3.688 10 5 DHBERN O=[N+]([O-])c1ccc(F)cc1NC[C@@H]1CCN(c2ccccc2)C1 ZINC000302823509 336370703 /nfs/dbraw/zinc/37/07/03/336370703.db2.gz UZKUIWFZCMMECM-ZDUSSCGKSA-N 0 0 315.348 3.672 10 5 DHBERN Cc1csc(CN(C)c2c(C)cc([N+](=O)[O-])cc2Cl)n1 ZINC000302825900 336370877 /nfs/dbraw/zinc/37/08/77/336370877.db2.gz MOWBJXWXQKHKSV-UHFFFAOYSA-N 0 0 311.794 3.958 10 5 DHBERN COC(=O)c1ccccc1S[C@H](C[N+](=O)[O-])c1ccccc1 ZINC000584597662 337374483 /nfs/dbraw/zinc/37/44/83/337374483.db2.gz YREHUYHXBRHVDI-OAHLLOKOSA-N 0 0 317.366 3.583 10 5 DHBERN O=C(Oc1cc([N+](=O)[O-])ccc1OCC1CC1)c1ccccc1 ZINC000584650009 337380655 /nfs/dbraw/zinc/38/06/55/337380655.db2.gz GVFCBIBCNWGQDN-UHFFFAOYSA-N 0 0 313.309 3.603 10 5 DHBERN C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000159583291 338528616 /nfs/dbraw/zinc/52/86/16/338528616.db2.gz KWXAUIQJFMIOOF-VIFPVBQESA-N 0 0 322.723 3.878 10 5 DHBERN CN(C(=O)[C@H]1C[C@@H]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000132223189 341118745 /nfs/dbraw/zinc/11/87/45/341118745.db2.gz KAYGSSLBASLOOJ-CVEARBPZSA-N 0 0 302.374 3.774 10 5 DHBERN CCc1cnc([C@@H](C)Nc2ccc([N+](=O)[O-])c(OC)c2)s1 ZINC000134927772 341226792 /nfs/dbraw/zinc/22/67/92/341226792.db2.gz OECGVYWPKLZJRT-SECBINFHSA-N 0 0 307.375 3.795 10 5 DHBERN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000172755017 341807534 /nfs/dbraw/zinc/80/75/34/341807534.db2.gz BHTFCTNBVCMCRY-JKSUJKDBSA-N 0 0 316.401 3.770 10 5 DHBERN CC(=O)c1ccc(Oc2nccc(C)c2[N+](=O)[O-])c(Cl)c1 ZINC000120384707 534872125 /nfs/dbraw/zinc/87/21/25/534872125.db2.gz RADJEFIOTAMPNQ-UHFFFAOYSA-N 0 0 306.705 3.947 10 5 DHBERN O=[N+]([O-])c1cnc2c(F)c(Br)ccc2c1Cl ZINC000584882245 563337293 /nfs/dbraw/zinc/33/72/93/563337293.db2.gz WNGNLXKAAPQRQL-UHFFFAOYSA-N 0 0 305.490 3.698 10 5 DHBERN Cc1cc(Br)cc2c(Cl)c([N+](=O)[O-])cnc12 ZINC000165859217 563420958 /nfs/dbraw/zinc/42/09/58/563420958.db2.gz QGISMIWLIZFPBE-UHFFFAOYSA-N 0 0 301.527 3.867 10 5 DHBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CCc1cccc(F)c1 ZINC000048545828 563924011 /nfs/dbraw/zinc/92/40/11/563924011.db2.gz WJENLECKMFHVHU-UHFFFAOYSA-N 0 0 302.305 3.614 10 5 DHBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000067026810 1025258556 /nfs/dbraw/zinc/25/85/56/1025258556.db2.gz HKXMLJHVLXOASN-CZUORRHYSA-N 0 0 302.374 3.698 10 5 DHBERN CCOC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCCC[C@@H]1C ZINC000226289527 201772772 /nfs/dbraw/zinc/77/27/72/201772772.db2.gz ZNBMVQWKWCLKMQ-FZMZJTMJSA-N 0 0 306.362 3.762 10 5 DHBERN O=C(Nc1ccccn1)c1cc2c(ccc3ccccc32)oc1=O ZINC000000273915 180745176 /nfs/dbraw/zinc/74/51/76/180745176.db2.gz SDDYIUDBBYZBFJ-UHFFFAOYSA-N 0 0 316.316 3.594 10 5 DHBERN Cn1c2c3ccccc3c(C(=O)C3CC3)n2c2ccccc2c1=O ZINC000003211984 180992123 /nfs/dbraw/zinc/99/21/23/180992123.db2.gz MKIPMGQPZOUWQB-UHFFFAOYSA-N 0 0 316.360 3.537 10 5 DHBERN O=C(Nc1ccccc1[N+](=O)[O-])c1csc2c1CCCC2 ZINC000003899459 181054394 /nfs/dbraw/zinc/05/43/94/181054394.db2.gz WFNMANZFOAWMRS-UHFFFAOYSA-N 0 0 302.355 3.787 10 5 DHBERN COc1ccc2sc(Nc3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000005087639 181202316 /nfs/dbraw/zinc/20/23/16/181202316.db2.gz AANSPRPUVFOFRF-UHFFFAOYSA-N 0 0 301.327 3.957 10 5 DHBERN Cc1nc2ccccc2n1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000005635051 181266717 /nfs/dbraw/zinc/26/67/17/181266717.db2.gz SAISONLOVACHHR-UHFFFAOYSA-N 0 0 315.716 3.595 10 5 DHBERN Cc1cc2ncn(C(=O)c3cccc([N+](=O)[O-])c3C)c2cc1C ZINC000005926860 181297215 /nfs/dbraw/zinc/29/72/15/181297215.db2.gz SPPOIIUXMURLFN-UHFFFAOYSA-N 0 0 309.325 3.558 10 5 DHBERN CCC(=O)Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3o2)cc1 ZINC000008185970 181533531 /nfs/dbraw/zinc/53/35/31/181533531.db2.gz SDVJMHOIBJBECP-UHFFFAOYSA-N 0 0 311.297 3.752 10 5 DHBERN Cc1cc(C)c(C(=O)Nc2cccc([N+](=O)[O-])c2)c(Cl)n1 ZINC000008491493 181559567 /nfs/dbraw/zinc/55/95/67/181559567.db2.gz VIRJZBGSCBCNJD-UHFFFAOYSA-N 0 0 305.721 3.512 10 5 DHBERN C[C@]12CC[C@@H]3c4cccc([N+](=O)[O-])c4CC[C@H]3[C@@H]1CC[C@@H]2O ZINC000013606472 181868246 /nfs/dbraw/zinc/86/82/46/181868246.db2.gz XILPMFUYNJQHRT-YVEZLPLXSA-N 0 0 301.386 3.812 10 5 DHBERN O=[N+]([O-])c1cc(CO)ccc1Oc1ccc(Br)cc1 ZINC000020468767 182221592 /nfs/dbraw/zinc/22/15/92/182221592.db2.gz YANAQMUWBPLEIW-UHFFFAOYSA-N 0 0 324.130 3.642 10 5 DHBERN O=[N+]([O-])c1ccc2cnn(-c3ccc(C(F)(F)F)cc3)c2c1 ZINC000021988177 182302545 /nfs/dbraw/zinc/30/25/45/182302545.db2.gz AAOIITKTFBBIDO-UHFFFAOYSA-N 0 0 307.231 3.953 10 5 DHBERN Cc1ccc(Oc2ncnc(NCCC(C)C)c2[N+](=O)[O-])cc1 ZINC000040659781 183114952 /nfs/dbraw/zinc/11/49/52/183114952.db2.gz RYBIOMMGUYCYDC-UHFFFAOYSA-N 0 0 316.361 3.944 10 5 DHBERN O=[N+]([O-])c1c(Cl)ncnc1Sc1cccc2cccnc21 ZINC000040571605 183104264 /nfs/dbraw/zinc/10/42/64/183104264.db2.gz HMYCDBPCCYUSSN-UHFFFAOYSA-N 0 0 318.745 3.738 10 5 DHBERN CC(C)(C)Nc1ncnc(Nc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000040581726 183104985 /nfs/dbraw/zinc/10/49/85/183104985.db2.gz HCVFOSOCVMRURY-UHFFFAOYSA-N 0 0 321.768 3.992 10 5 DHBERN Cc1c(Cl)cccc1Nc1ncnc(NC(C)C)c1[N+](=O)[O-] ZINC000040588390 183106104 /nfs/dbraw/zinc/10/61/04/183106104.db2.gz DDXQODRFNDFLQJ-UHFFFAOYSA-N 0 0 321.768 3.911 10 5 DHBERN CC(C)Nc1ncnc(Nc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000040597530 183107206 /nfs/dbraw/zinc/10/72/06/183107206.db2.gz BNYOTCNZTAUPJB-UHFFFAOYSA-N 0 0 307.741 3.602 10 5 DHBERN Cc1cc(Oc2ncnc(N(C)C)c2[N+](=O)[O-])cc(C)c1Cl ZINC000040608569 183108719 /nfs/dbraw/zinc/10/87/19/183108719.db2.gz IIYHIRSZBQOHLT-UHFFFAOYSA-N 0 0 322.752 3.513 10 5 DHBERN O=[N+]([O-])c1cc(Br)cnc1Nc1cccc(F)c1 ZINC000041562816 183202413 /nfs/dbraw/zinc/20/24/13/183202413.db2.gz ZCOGYAUXULTKKC-UHFFFAOYSA-N 0 0 312.098 3.635 10 5 DHBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(Cl)c1 ZINC000054055797 183922562 /nfs/dbraw/zinc/92/25/62/183922562.db2.gz WILXTVHUTJPYMB-VIFPVBQESA-N 0 0 322.723 3.878 10 5 DHBERN Nc1ccc2c(c1)CCC[C@H]2Nc1cccc(F)c1[N+](=O)[O-] ZINC000262065148 331955209 /nfs/dbraw/zinc/95/52/09/331955209.db2.gz FIEROZRXZSGIHD-CQSZACIVSA-N 0 0 301.321 3.806 10 5 DHBERN CC[C@@H](NC(=O)NCC1(C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000176636622 332950183 /nfs/dbraw/zinc/95/01/83/332950183.db2.gz QKYNNWCORFPLHK-CQSZACIVSA-N 0 0 305.378 3.535 10 5 DHBERN C[S@](=O)Cc1cc(Nc2ccccc2[N+](=O)[O-])ccc1Cl ZINC000301281767 336298564 /nfs/dbraw/zinc/29/85/64/336298564.db2.gz KHQSMAMPADYINO-NRFANRHFSA-N 0 0 324.789 3.870 10 5 DHBERN O=[N+]([O-])c1ccccc1N1CCC[C@H](COc2ccccc2)C1 ZINC000301288648 336299027 /nfs/dbraw/zinc/29/90/27/336299027.db2.gz NXINTNPFWNBRER-HNNXBMFYSA-N 0 0 312.369 3.890 10 5 DHBERN O=[N+]([O-])c1cnc(NC[C@@H]2C[C@@H]2c2ccccc2)c(Cl)c1 ZINC000301295207 336299369 /nfs/dbraw/zinc/29/93/69/336299369.db2.gz XBEWLPYZFMHSPC-WCQYABFASA-N 0 0 303.749 3.859 10 5 DHBERN O=[N+]([O-])c1ccc(Br)cc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000301668671 336322166 /nfs/dbraw/zinc/32/21/66/336322166.db2.gz MSZNEXCNVFRLQI-PHIMTYICSA-N 0 0 323.190 3.760 10 5 DHBERN CO[C@@H]1CCC[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000301778439 336329096 /nfs/dbraw/zinc/32/90/96/336329096.db2.gz MHIGJVBRZJAVID-TZMCWYRMSA-N 0 0 301.346 3.513 10 5 DHBERN Cc1cc(N2C[C@@H](C)OC[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000301950414 336339544 /nfs/dbraw/zinc/33/95/44/336339544.db2.gz GMOCCIGMEFXMTD-RDTXWAMCSA-N 0 0 312.369 3.870 10 5 DHBERN C[C@@H](CNc1cc(CO)ccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000302017599 336343344 /nfs/dbraw/zinc/34/33/44/336343344.db2.gz CUOIFMDYIJFBCJ-JTQLQIEISA-N 0 0 322.311 3.581 10 5 DHBERN Cc1ccc(C[C@H](C)Nc2cc(CO)ccc2[N+](=O)[O-])s1 ZINC000302038181 336344773 /nfs/dbraw/zinc/34/47/73/336344773.db2.gz MQZPIBMUFUAMFB-JTQLQIEISA-N 0 0 306.387 3.500 10 5 DHBERN CC(C)(C)[C@@H]1CCCN(c2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302059792 336346171 /nfs/dbraw/zinc/34/61/71/336346171.db2.gz ROJDPFKHXDNIHK-CQSZACIVSA-N 0 0 306.406 3.740 10 5 DHBERN Cc1nc(CN(C)c2c(C)cc([N+](=O)[O-])cc2Cl)cs1 ZINC000302692459 336365092 /nfs/dbraw/zinc/36/50/92/336365092.db2.gz SBNOQLYAIUVRJS-UHFFFAOYSA-N 0 0 311.794 3.958 10 5 DHBERN COc1cc2[nH]cc3cnc4c(C)c(=O)ccc4c3c2cc1OC ZINC000584602015 337371037 /nfs/dbraw/zinc/37/10/37/337371037.db2.gz GOKGIXCMAFCTLE-UHFFFAOYSA-N 0 0 320.348 3.967 10 5 DHBERN CN(c1ccccc1)c1ccnc(Nc2ccccc2[N+](=O)[O-])n1 ZINC000584624107 337375183 /nfs/dbraw/zinc/37/51/83/337375183.db2.gz VEUVGHCUHNNBGJ-UHFFFAOYSA-N 0 0 321.340 3.896 10 5 DHBERN CC(C)OC(=O)[C@@H](c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000584654043 337377708 /nfs/dbraw/zinc/37/77/08/337377708.db2.gz KEFHMYOZRHVHMP-INIZCTEOSA-N 0 0 317.316 3.817 10 5 DHBERN CC[C@H](NC(=O)Nc1cccc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000124111705 337403729 /nfs/dbraw/zinc/40/37/29/337403729.db2.gz OXDLJRNROGIPEY-AWEZNQCLSA-N 0 0 314.345 3.571 10 5 DHBERN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@H]2CCCC[C@H]21 ZINC000162596639 338641055 /nfs/dbraw/zinc/64/10/55/338641055.db2.gz JYICWLHNXLBRRG-ZWNOBZJWSA-N 0 0 308.765 3.653 10 5 DHBERN CCCN(CCC)C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000176694925 340430289 /nfs/dbraw/zinc/43/02/89/340430289.db2.gz GREGABJBDUBRTK-OAHLLOKOSA-N 0 0 307.394 3.878 10 5 DHBERN CC[C@@H](NC(=O)c1cccc2cc[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC000177785522 340443554 /nfs/dbraw/zinc/44/35/54/340443554.db2.gz FOFXGSMCPYKZIQ-MRXNPFEDSA-N 0 0 323.352 3.957 10 5 DHBERN CC[C@@H](NC(=O)c1nc(C)sc1C)c1cccc([N+](=O)[O-])c1 ZINC000178847642 340452343 /nfs/dbraw/zinc/45/23/43/340452343.db2.gz VDSRQNBJLOARRZ-CYBMUJFWSA-N 0 0 319.386 3.549 10 5 DHBERN CCc1cc(C)c(C(=O)N[C@H](CC)c2cccc([N+](=O)[O-])c2)o1 ZINC000131503382 341092481 /nfs/dbraw/zinc/09/24/81/341092481.db2.gz DWSBADNGEJDKIB-OAHLLOKOSA-N 0 0 316.357 3.940 10 5 DHBERN CN(C(=O)[C@H]1C[C@H]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000132223543 341118639 /nfs/dbraw/zinc/11/86/39/341118639.db2.gz KAYGSSLBASLOOJ-HOTGVXAUSA-N 0 0 302.374 3.774 10 5 DHBERN CC[C@H](NC(=O)CC(C)(C)CC(C)=O)c1cccc([N+](=O)[O-])c1 ZINC000191894570 522367295 /nfs/dbraw/zinc/36/72/95/522367295.db2.gz FQQKDOQKLIRHEI-HNNXBMFYSA-N 0 0 320.389 3.558 10 5 DHBERN O=[N+]([O-])c1cc(Cl)c(NC2CCC(O)CC2)c(Cl)c1 ZINC000226740126 527330539 /nfs/dbraw/zinc/33/05/39/527330539.db2.gz HIXIDOWTYAQNJK-UHFFFAOYSA-N 0 0 305.161 3.617 10 5 DHBERN O=[N+]([O-])c1cnc2c(F)c(Br)c(F)cc2c1Cl ZINC000584881776 563334737 /nfs/dbraw/zinc/33/47/37/563334737.db2.gz AFNNOXIFFFSBPL-UHFFFAOYSA-N 0 0 323.480 3.837 10 5 DHBERN C[C@@H]1CCC[C@@H](CC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000088230815 1017314686 /nfs/dbraw/zinc/31/46/86/1017314686.db2.gz PQDAOKKJURYIET-ZIAGYGMSSA-N 0 0 316.401 3.696 10 5 DHBERN CCN(c1ccccc1)c1cc(Cl)c2nonc2c1[N+](=O)[O-] ZINC000090449755 185297174 /nfs/dbraw/zinc/29/71/74/185297174.db2.gz NCSQSGXSCJGMQI-UHFFFAOYSA-N 0 0 318.720 3.942 10 5 DHBERN O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(Cl)c(Cl)c1 ZINC000005567740 181258119 /nfs/dbraw/zinc/25/81/19/181258119.db2.gz AVCUCBRQWKTIQP-UHFFFAOYSA-N 0 0 318.141 3.610 10 5 DHBERN O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(F)c(F)c1 ZINC000006527295 181349293 /nfs/dbraw/zinc/34/92/93/181349293.db2.gz XBELBFLPHIYLLT-VMPITWQZSA-N 0 0 304.252 3.525 10 5 DHBERN Cc1cc2ncn(C(=O)c3cccc(C)c3[N+](=O)[O-])c2cc1C ZINC000006524785 181349716 /nfs/dbraw/zinc/34/97/16/181349716.db2.gz ARDXNBPBCMVITD-UHFFFAOYSA-N 0 0 309.325 3.558 10 5 DHBERN CCc1ccc(O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000008106210 181526733 /nfs/dbraw/zinc/52/67/33/181526733.db2.gz GREDNTDOZCGYQN-LBPRGKRZSA-N 0 0 314.341 3.563 10 5 DHBERN C[C@@H]1Cc2ccccc2N1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000016022830 182029767 /nfs/dbraw/zinc/02/97/67/182029767.db2.gz XEEAPNYAKLWVPN-OCHBPSSRSA-N 0 0 308.337 3.586 10 5 DHBERN CCCC(=O)Nc1nc(C)c(Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000036639189 182832741 /nfs/dbraw/zinc/83/27/41/182832741.db2.gz KQXBPZUZNCTHNK-UHFFFAOYSA-N 0 0 319.386 3.689 10 5 DHBERN O=[N+]([O-])c1ccc(-c2cn3cccc(Br)c3n2)cc1 ZINC000039325756 183017230 /nfs/dbraw/zinc/01/72/30/183017230.db2.gz OKRHUJHBEHYWIB-UHFFFAOYSA-N 0 0 318.130 3.672 10 5 DHBERN O=[N+]([O-])c1cccc(-c2cn3cc(C(F)(F)F)ccc3n2)c1 ZINC000039325714 183017344 /nfs/dbraw/zinc/01/73/44/183017344.db2.gz DXHISPCLDKHCSS-UHFFFAOYSA-N 0 0 307.231 3.928 10 5 DHBERN Cc1ccccc1Nc1ncnc(NC(C)(C)C)c1[N+](=O)[O-] ZINC000040581708 183105262 /nfs/dbraw/zinc/10/52/62/183105262.db2.gz LOGYCYXGHBHTEK-UHFFFAOYSA-N 0 0 301.350 3.647 10 5 DHBERN Cc1cc(C)cc(Nc2ncnc(NC(C)(C)C)c2[N+](=O)[O-])c1 ZINC000040581459 183105392 /nfs/dbraw/zinc/10/53/92/183105392.db2.gz DBQRTPBABSNSOK-UHFFFAOYSA-N 0 0 315.377 3.956 10 5 DHBERN CC(C)(C)Nc1ncnc(Sc2ccccc2)c1[N+](=O)[O-] ZINC000040581746 183105398 /nfs/dbraw/zinc/10/53/98/183105398.db2.gz RDDXVQNAJHPJTF-UHFFFAOYSA-N 0 0 304.375 3.746 10 5 DHBERN CCNc1ncnc(Nc2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000040594305 183106987 /nfs/dbraw/zinc/10/69/87/183106987.db2.gz ARQFDRFFFXNDTG-UHFFFAOYSA-N 0 0 301.350 3.684 10 5 DHBERN CCCNc1ncnc(Nc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000040596933 183107385 /nfs/dbraw/zinc/10/73/85/183107385.db2.gz HBGUOACTPBGZMG-UHFFFAOYSA-N 0 0 307.741 3.604 10 5 DHBERN O=[N+]([O-])c1c(NC2CCCCC2)ncnc1Oc1ccccc1 ZINC000040598303 183108211 /nfs/dbraw/zinc/10/82/11/183108211.db2.gz FBNULQUDCXJONW-UHFFFAOYSA-N 0 0 314.345 3.922 10 5 DHBERN O=C(Nc1cccnc1)c1cc2c(ccc3ccccc32)oc1=O ZINC000040803854 183136180 /nfs/dbraw/zinc/13/61/80/183136180.db2.gz SUQGXQJSYJJFQC-UHFFFAOYSA-N 0 0 316.316 3.594 10 5 DHBERN Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000057464714 184039651 /nfs/dbraw/zinc/03/96/51/184039651.db2.gz DJEPKCJJYCFDQV-SECBINFHSA-N 0 0 308.721 3.641 10 5 DHBERN COc1cccc(N[C@@H](C)COCc2ccccc2)c1[N+](=O)[O-] ZINC000390700700 333315971 /nfs/dbraw/zinc/31/59/71/333315971.db2.gz LIKWUAYILZUPAE-ZDUSSCGKSA-N 0 0 316.357 3.621 10 5 DHBERN C[C@@H](COCc1ccccc1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000390708105 333316611 /nfs/dbraw/zinc/31/66/11/333316611.db2.gz TUPRBFBDIQIWRI-LBPRGKRZSA-N 0 0 304.321 3.751 10 5 DHBERN COc1cc(N[C@H](C)c2cccc(O)c2)c([N+](=O)[O-])cc1F ZINC000124448198 334759514 /nfs/dbraw/zinc/75/95/14/334759514.db2.gz BKCUSDMSFMTCGH-SECBINFHSA-N 0 0 306.293 3.621 10 5 DHBERN O=[N+]([O-])c1cnc(NC[C@H]2C[C@@H]2c2ccccc2)c(Cl)c1 ZINC000301295206 336299361 /nfs/dbraw/zinc/29/93/61/336299361.db2.gz XBEWLPYZFMHSPC-DGCLKSJQSA-N 0 0 303.749 3.859 10 5 DHBERN CSC[C@H](C)N(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000301352084 336302100 /nfs/dbraw/zinc/30/21/00/336302100.db2.gz WHONQTZMXCECRI-QMMMGPOBSA-N 0 0 308.325 3.801 10 5 DHBERN CO[C@H](C)c1nc(CN(C)c2c(C)cccc2[N+](=O)[O-])cs1 ZINC000301513878 336311721 /nfs/dbraw/zinc/31/17/21/336311721.db2.gz BIFYCXBHTRNTGO-LLVKDONJSA-N 0 0 321.402 3.704 10 5 DHBERN Cc1cc([N+](=O)[O-])cnc1NCc1cc(Cl)c(Cl)n1C ZINC000301633097 336319506 /nfs/dbraw/zinc/31/95/06/336319506.db2.gz JYAOILUNVGJXRJ-UHFFFAOYSA-N 0 0 315.160 3.556 10 5 DHBERN O=[N+]([O-])c1ccc(NC[C@@H]2C[C@@]23CCCc2ccccc23)nc1 ZINC000301664734 336321941 /nfs/dbraw/zinc/32/19/41/336321941.db2.gz WCWGQMIBYZGRHV-KSSFIOAISA-N 0 0 309.369 3.696 10 5 DHBERN Cc1ccc(Nc2ccc(Cn3ccnc3)cc2)c([N+](=O)[O-])c1 ZINC000301775573 336328979 /nfs/dbraw/zinc/32/89/79/336328979.db2.gz NVWIENLRDCAZND-UHFFFAOYSA-N 0 0 308.341 3.892 10 5 DHBERN Cc1cc([N+](=O)[O-])ccc1NCc1cccc(-c2cnn(C)c2)c1 ZINC000301888644 336336436 /nfs/dbraw/zinc/33/64/36/336336436.db2.gz PYSSUUYNKIGTJE-UHFFFAOYSA-N 0 0 322.368 3.916 10 5 DHBERN Cc1cc(N2C[C@H](C)OC[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000301950413 336339515 /nfs/dbraw/zinc/33/95/15/336339515.db2.gz GMOCCIGMEFXMTD-KSSFIOAISA-N 0 0 312.369 3.870 10 5 DHBERN C[C@H](CNc1cc(CO)ccc1[N+](=O)[O-])Sc1ccccc1 ZINC000302014608 336343244 /nfs/dbraw/zinc/34/32/44/336343244.db2.gz BSIWSVZCYYFTRN-GFCCVEGCSA-N 0 0 318.398 3.680 10 5 DHBERN CCOCc1ccc(CNc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000302794252 336369308 /nfs/dbraw/zinc/36/93/08/336369308.db2.gz IHCMQRHZLHFZQU-UHFFFAOYSA-N 0 0 304.321 3.883 10 5 DHBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000302819147 336370484 /nfs/dbraw/zinc/37/04/84/336370484.db2.gz JGBJAWMPFKYYTG-BLLLJJGKSA-N 0 0 324.808 3.688 10 5 DHBERN CSc1ccc(C(=O)N[C@@H](C)c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000194101150 340589053 /nfs/dbraw/zinc/58/90/53/340589053.db2.gz YRZFKKUUYMPVFU-JTQLQIEISA-N 0 0 320.370 3.709 10 5 DHBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)c2cccs2)c1 ZINC000136294144 341256421 /nfs/dbraw/zinc/25/64/21/341256421.db2.gz VOLZEGLJGGLFRL-VIFPVBQESA-N 0 0 306.343 3.616 10 5 DHBERN CCCCc1noc(CN[C@@H](CC)c2cccc([N+](=O)[O-])c2)n1 ZINC000181525304 521337406 /nfs/dbraw/zinc/33/74/06/521337406.db2.gz NJGUVGJPUYANIE-AWEZNQCLSA-N 0 0 318.377 3.561 10 5 DHBERN C[C@@H](O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000165192666 197672416 /nfs/dbraw/zinc/67/24/16/197672416.db2.gz CLJADPZNYKVUGY-SECBINFHSA-N 0 0 320.732 3.554 10 5 DHBERN O=[N+]([O-])c1ccc(Cc2nc(-c3cccc(Cl)c3)n[nH]2)cc1 ZINC000072236651 191080029 /nfs/dbraw/zinc/08/00/29/191080029.db2.gz YKMDKWCRBGJJCY-UHFFFAOYSA-N 0 0 314.732 3.624 10 5 DHBERN C[C@]12CC[C@@H]3c4cc([N+](=O)[O-])ccc4CC[C@H]3[C@@H]1CC[C@@H]2O ZINC000013606467 181868075 /nfs/dbraw/zinc/86/80/75/181868075.db2.gz AWSUHRBITJXIAJ-YFUQURRKSA-N 0 0 301.386 3.812 10 5 DHBERN Cc1ccc(Nc2ncnc(Nc3ccccc3)c2[N+](=O)[O-])nc1 ZINC000040647945 183114238 /nfs/dbraw/zinc/11/42/38/183114238.db2.gz FXFHLDZUUJBQSB-UHFFFAOYSA-N 0 0 322.328 3.575 10 5 DHBERN Cc1cc(Oc2ncnc(Cl)c2[N+](=O)[O-])ccc1Cl ZINC000040571484 183104353 /nfs/dbraw/zinc/10/43/53/183104353.db2.gz SHBNNEMYNJIQAE-UHFFFAOYSA-N 0 0 300.101 3.792 10 5 DHBERN Cc1ccc(Nc2ncnc(OC(C)C)c2[N+](=O)[O-])cc1C ZINC000040590201 183105846 /nfs/dbraw/zinc/10/58/46/183105846.db2.gz SPLBNONAGSSTEI-UHFFFAOYSA-N 0 0 302.334 3.532 10 5 DHBERN CCCCNc1ncnc(Oc2ccc(CC)cc2)c1[N+](=O)[O-] ZINC000040595489 183106645 /nfs/dbraw/zinc/10/66/45/183106645.db2.gz CSNXISNTCLBHKR-UHFFFAOYSA-N 0 0 316.361 3.952 10 5 DHBERN Cc1ccccc1Nc1ncnc(Nc2cccnc2)c1[N+](=O)[O-] ZINC000040628276 183111166 /nfs/dbraw/zinc/11/11/66/183111166.db2.gz DVNHJDMURIKXOG-UHFFFAOYSA-N 0 0 322.328 3.575 10 5 DHBERN O=[N+]([O-])c1ccc(C[C@@H](O)c2cccc(Br)c2)cc1 ZINC000062140036 184208531 /nfs/dbraw/zinc/20/85/31/184208531.db2.gz YLPKCYIGMDHLKJ-CQSZACIVSA-N 0 0 322.158 3.633 10 5 DHBERN C[C@H](Nc1c(Br)cncc1[N+](=O)[O-])c1ccco1 ZINC000231628766 335065187 /nfs/dbraw/zinc/06/51/87/335065187.db2.gz PEVZQUXBASTMHF-ZETCQYMHSA-N 0 0 312.123 3.518 10 5 DHBERN CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)c1cccc(Cl)c1 ZINC000091556122 331918853 /nfs/dbraw/zinc/91/88/53/331918853.db2.gz SYLTXXUODVJNSV-SECBINFHSA-N 0 0 308.769 3.946 10 5 DHBERN Nc1ccc2c(c1)CCC[C@@H]2Nc1ccc([N+](=O)[O-])cc1F ZINC000262117820 332298436 /nfs/dbraw/zinc/29/84/36/332298436.db2.gz KLDKOZCPKBQRCO-HNNXBMFYSA-N 0 0 301.321 3.806 10 5 DHBERN Cc1ccc2c(c1)[C@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@@H](C)C2 ZINC000182196867 333183326 /nfs/dbraw/zinc/18/33/26/333183326.db2.gz NODPTHJAPIZZBG-YVEFUNNKSA-N 0 0 310.353 3.567 10 5 DHBERN C[C@@H](COCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1F ZINC000390699986 333316102 /nfs/dbraw/zinc/31/61/02/333316102.db2.gz KJZNOEYIEAHQMP-LBPRGKRZSA-N 0 0 304.321 3.751 10 5 DHBERN O=[N+]([O-])c1ccc(NC[C@@H](O)C2CCCC2)c(C(F)(F)F)c1 ZINC000301302002 336299906 /nfs/dbraw/zinc/29/99/06/336299906.db2.gz VTOLVZJAVHAIHE-CYBMUJFWSA-N 0 0 318.295 3.577 10 5 DHBERN C[C@@H](Cc1cccs1)N(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301484912 336309790 /nfs/dbraw/zinc/30/97/90/336309790.db2.gz GVSQTDFMCFYQCY-JTQLQIEISA-N 0 0 321.358 3.632 10 5 DHBERN Cc1cc(N2CC[C@H](C)[C@H]2C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301498142 336310519 /nfs/dbraw/zinc/31/05/19/336310519.db2.gz VKUCVMLBVQRCPA-WCQYABFASA-N 0 0 312.373 3.595 10 5 DHBERN CO[C@H](C)c1nc(CN(C)c2ccc(C)cc2[N+](=O)[O-])cs1 ZINC000301539966 336313461 /nfs/dbraw/zinc/31/34/61/336313461.db2.gz JTMQBHWVTHLFPR-LLVKDONJSA-N 0 0 321.402 3.704 10 5 DHBERN Cn1c(CNc2ccc([N+](=O)[O-])cc2F)cc(Cl)c1Cl ZINC000301672026 336322422 /nfs/dbraw/zinc/32/24/22/336322422.db2.gz ZHQRGZWBLLDNNP-UHFFFAOYSA-N 0 0 318.135 3.991 10 5 DHBERN CO[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000301791989 336330209 /nfs/dbraw/zinc/33/02/09/336330209.db2.gz RNCSEYCDLJIOTM-KOLCDFICSA-N 0 0 316.304 3.566 10 5 DHBERN C[C@@H](CNc1cc(CO)ccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000302077063 336347263 /nfs/dbraw/zinc/34/72/63/336347263.db2.gz YRZGBPTVXMJMOK-JTQLQIEISA-N 0 0 322.311 3.581 10 5 DHBERN C[C@H]1CC(=O)Oc2cc(Oc3ccc(F)cc3[N+](=O)[O-])ccc21 ZINC000302807153 336370005 /nfs/dbraw/zinc/37/00/05/336370005.db2.gz GCEFDKKIRWWHBF-VIFPVBQESA-N 0 0 317.272 3.939 10 5 DHBERN O=[N+]([O-])c1ccc(F)cc1N1CCc2[nH]c3ccccc3c2C1 ZINC000302855457 336372026 /nfs/dbraw/zinc/37/20/26/336372026.db2.gz LDFSHONBWMJCAR-UHFFFAOYSA-N 0 0 311.316 3.778 10 5 DHBERN Cc1ccc(NC(=O)N2CCC[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000116474165 336840569 /nfs/dbraw/zinc/84/05/69/336840569.db2.gz CUVYSWFXYNHFGG-ZDUSSCGKSA-N 0 0 315.329 3.865 10 5 DHBERN COC(=O)[C@@H](C)c1ccc(Oc2ccccc2[N+](=O)[O-])cc1 ZINC000584595595 337374099 /nfs/dbraw/zinc/37/40/99/337374099.db2.gz PQUIKBBPWBXDCL-NSHDSACASA-N 0 0 301.298 3.664 10 5 DHBERN CCc1ccc(C(=O)N[C@H](C)c2cccs2)cc1[N+](=O)[O-] ZINC000173264885 340361432 /nfs/dbraw/zinc/36/14/32/340361432.db2.gz HTQOQMLVJVYLQD-SNVBAGLBSA-N 0 0 304.371 3.710 10 5 DHBERN CCS[C@H]1CC[C@@H](Nc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000227891135 521732789 /nfs/dbraw/zinc/73/27/89/521732789.db2.gz REIJVLZGTHUKLC-SCZZXKLOSA-N 0 0 302.346 3.959 10 5 DHBERN COC(=O)c1cc(NCc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000247808141 521894980 /nfs/dbraw/zinc/89/49/80/521894980.db2.gz BAGWLIKFKAJDOT-UHFFFAOYSA-N 0 0 320.732 3.647 10 5 DHBERN CC[C@H](NCc1nc(C(C)(C)C)no1)c1cccc([N+](=O)[O-])c1 ZINC000181560559 522667450 /nfs/dbraw/zinc/66/74/50/522667450.db2.gz NRRYSHQQDLBXOM-ZDUSSCGKSA-N 0 0 318.377 3.516 10 5 DHBERN Cc1ccc([C@@H]2CCCCN2C(=O)c2csc([N+](=O)[O-])c2)o1 ZINC000172667865 525802976 /nfs/dbraw/zinc/80/29/76/525802976.db2.gz GJVADDVLTRREFZ-LBPRGKRZSA-N 0 0 320.370 3.925 10 5 DHBERN O=[N+]([O-])c1ccc(NCCC2=CCOCC2)c(C(F)(F)F)c1 ZINC000158059673 527363493 /nfs/dbraw/zinc/36/34/93/527363493.db2.gz KNMHSWRCWACNGG-UHFFFAOYSA-N 0 0 316.279 3.762 10 5 DHBERN