smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)N(C)Cc1nc(C)c(-c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000095456165 185370038 /nfs/dbraw/zinc/37/00/38/185370038.db2.gz IMDBOPFHHAWZLW-UHFFFAOYSA-N 0 1 303.322 2.065 50 5 DEBAMN CC(=O)c1ccc(N2CCC[C@H]2c2nnc[nH]2)c([N+](=O)[O-])c1 ZINC000521395215 257240983 /nfs/dbraw/zinc/24/09/83/257240983.db2.gz AWUMANVZJLFJAB-LBPRGKRZSA-N 0 1 301.306 2.257 50 5 DEBAMN CC(C)CC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000032932293 401886467 /nfs/dbraw/zinc/88/64/67/401886467.db2.gz TYQMUNVYONILLO-CHWSQXEVSA-N 0 1 305.334 2.275 50 5 DEBAMN O=C(Nc1ccc([N+](=O)[O-])cc1)OCCSc1cn[nH]n1 ZINC000004419347 353992269 /nfs/dbraw/zinc/99/22/69/353992269.db2.gz XOFYRJKOPFNJAD-UHFFFAOYSA-N 0 1 309.307 2.054 50 5 DEBAMN N=C1Nc2nc3ccccc3n2[C@H](c2ccc([N+](=O)[O-])cc2)N1 ZINC000003177248 401722336 /nfs/dbraw/zinc/72/23/36/401722336.db2.gz ZYYGXYFZUAHEGK-CYBMUJFWSA-N 0 1 308.301 2.041 50 5 DEBAMN CC1(C)CC(=O)[C@H]([C@@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)N1 ZINC000004785681 278185853 /nfs/dbraw/zinc/18/58/53/278185853.db2.gz JILSLUDMEKLBRA-KGLIPLIRSA-N 0 1 306.362 2.364 50 5 DEBAMN Cc1cc(C)n(-c2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])n1 ZINC000004117348 280429236 /nfs/dbraw/zinc/42/92/36/280429236.db2.gz NHOSMDUPJTUDCU-UHFFFAOYSA-N 0 1 315.377 2.149 50 5 DEBAMN Cc1[nH]nc(C(=O)N2CCC[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000084019442 192395024 /nfs/dbraw/zinc/39/50/24/192395024.db2.gz XBPGYXFNTVBYON-ZDUSSCGKSA-N 0 1 314.345 2.474 50 5 DEBAMN COc1cc(C[N@@H+](C)CCc2ccccn2)cc([N+](=O)[O-])c1[O-] ZINC000023114683 354057771 /nfs/dbraw/zinc/05/77/71/354057771.db2.gz SQLOLXABCNIHCG-UHFFFAOYSA-N 0 1 317.345 2.379 50 5 DEBAMN CCN1C(=O)S/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)C1=O ZINC000013897164 401805118 /nfs/dbraw/zinc/80/51/18/401805118.db2.gz UOJCPZIDFIRSDC-POHAHGRESA-N 0 1 324.314 2.365 50 5 DEBAMN O=C(NCCNCc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000078394141 401849953 /nfs/dbraw/zinc/84/99/53/401849953.db2.gz QZZOAIQAECLYOG-UHFFFAOYSA-N 0 1 317.320 2.254 50 5 DEBAMN COC(=O)c1cc2n[nH]c(Br)c2c([N+](=O)[O-])c1 ZINC000014983791 401814804 /nfs/dbraw/zinc/81/48/04/401814804.db2.gz HRBWBPNNDZJPGW-UHFFFAOYSA-N 0 1 300.068 2.020 50 5 DEBAMN COC(=O)c1cc2[nH]nc(Br)c2c([N+](=O)[O-])c1 ZINC000014983791 401814808 /nfs/dbraw/zinc/81/48/08/401814808.db2.gz HRBWBPNNDZJPGW-UHFFFAOYSA-N 0 1 300.068 2.020 50 5 DEBAMN O=C(NCCOc1ccc2ccccc2c1)[C@H]1CC1[N+](=O)[O-] ZINC000047272250 424824886 /nfs/dbraw/zinc/82/48/86/424824886.db2.gz LOKKNEHJINGQCZ-LSDHHAIUSA-N 0 1 300.314 2.000 50 5 DEBAMN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1c1nnc[nH]1 ZINC000096490145 402095988 /nfs/dbraw/zinc/09/59/88/402095988.db2.gz QOCWPXKNGXAGDN-CYBMUJFWSA-N 0 1 315.333 2.389 50 5 DEBAMN COc1cc(N2CC[C@@H](N3CC=CC3)C2)c([N+](=O)[O-])cc1F ZINC000101626115 402151625 /nfs/dbraw/zinc/15/16/25/402151625.db2.gz VDBUDPJDPGVPIO-LLVKDONJSA-N 0 1 307.325 2.193 50 5 DEBAMN CCOCCN(Cc1ccccc1[N+](=O)[O-])C[C@H](C)C(=O)OC ZINC000065542319 276317841 /nfs/dbraw/zinc/31/78/41/276317841.db2.gz HEDSTZVXARKJMN-ZDUSSCGKSA-N 0 1 324.377 2.242 50 5 DEBAMN CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC(C)(C)O ZINC000072284587 191103730 /nfs/dbraw/zinc/10/37/30/191103730.db2.gz AYSVVAFURQQINJ-UHFFFAOYSA-N 0 1 320.349 2.238 50 5 DEBAMN O=[N+]([O-])c1ccc(N2CCN3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000036426288 354165206 /nfs/dbraw/zinc/16/52/06/354165206.db2.gz RVYFEWBATUZWFO-LBPRGKRZSA-N 0 1 306.322 2.178 50 5 DEBAMN O=[N+]([O-])c1[nH]cnc1NCCNc1nc2ccccc2s1 ZINC000004818078 181156119 /nfs/dbraw/zinc/15/61/19/181156119.db2.gz SLIAMJIXEFIMOQ-UHFFFAOYSA-N 0 1 304.335 2.452 50 5 DEBAMN Cc1cc(N(C)CC(=O)NC2CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000097083764 402105567 /nfs/dbraw/zinc/10/55/67/402105567.db2.gz ICQQTXWMGRUJPO-UHFFFAOYSA-N 0 1 314.345 2.166 50 5 DEBAMN Cc1cccc([N+](=O)[O-])c1C(=O)NCCN1CC=C(C)CC1 ZINC000225562981 402321153 /nfs/dbraw/zinc/32/11/53/402321153.db2.gz YBCSCYPAMSLLEP-UHFFFAOYSA-N 0 1 303.362 2.285 50 5 DEBAMN Cc1n[nH]c(CCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000096452942 402090946 /nfs/dbraw/zinc/09/09/46/402090946.db2.gz XHBBHCMRJYZPMP-UHFFFAOYSA-N 0 1 323.740 2.037 50 5 DEBAMN CC1(C)CC(=O)[C@H]([C@@H](O)c2cccc([N+](=O)[O-])c2)C(C)(C)N1 ZINC000004785600 181151670 /nfs/dbraw/zinc/15/16/70/181151670.db2.gz RAWHSNLAWGRMQI-KGLIPLIRSA-N 0 1 306.362 2.364 50 5 DEBAMN Cc1cc(CN(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)no1 ZINC000025138844 401831659 /nfs/dbraw/zinc/83/16/59/401831659.db2.gz RFEDYAUZCDGBKC-UHFFFAOYSA-N 0 1 315.289 2.040 50 5 DEBAMN Cc1sc(C(=O)N2CCCC[C@@H]2c2nnc[nH]2)cc1[N+](=O)[O-] ZINC000096490136 402095941 /nfs/dbraw/zinc/09/59/41/402095941.db2.gz GCIZUEAKVAJAQW-SECBINFHSA-N 0 1 321.362 2.450 50 5 DEBAMN N[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000225463516 402318198 /nfs/dbraw/zinc/31/81/98/402318198.db2.gz ZUXQTHSETBKSOW-MRXNPFEDSA-N 0 1 311.341 2.180 50 5 DEBAMN CC1(C)CC(=O)[C@@H]([C@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)N1 ZINC000004785680 278185973 /nfs/dbraw/zinc/18/59/73/278185973.db2.gz JILSLUDMEKLBRA-UONOGXRCSA-N 0 1 306.362 2.364 50 5 DEBAMN CCOC(=O)C1CC[NH+](Cc2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000006667475 635765031 /nfs/dbraw/zinc/76/50/31/635765031.db2.gz NIMSSKJAOMEKQR-UHFFFAOYSA-N 0 1 308.334 2.076 50 5 DEBAMN CC[C@H](NC(=O)[C@H]1CC1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000073278793 191300254 /nfs/dbraw/zinc/30/02/54/191300254.db2.gz LKZQBYGLLLYJQF-ACZMJKKPSA-N 0 1 323.296 2.394 50 5 DEBAMN CCc1nc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n[nH]1 ZINC000005961433 181301289 /nfs/dbraw/zinc/30/12/89/181301289.db2.gz DQRJVCMNTDZQFE-UHFFFAOYSA-N 0 1 321.362 2.315 50 5 DEBAMN CCc1n[nH]c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC000005961433 181301291 /nfs/dbraw/zinc/30/12/91/181301291.db2.gz DQRJVCMNTDZQFE-UHFFFAOYSA-N 0 1 321.362 2.315 50 5 DEBAMN C[C@H]1OCC[C@]12CN(CCc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000280641891 403022454 /nfs/dbraw/zinc/02/24/54/403022454.db2.gz ZNUGASLXMUNUFI-CJNGLKHVSA-N 0 1 306.362 2.017 50 5 DEBAMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1nc[nH]n1 ZINC000080590123 192170927 /nfs/dbraw/zinc/17/09/27/192170927.db2.gz ZFSUKNROSQHTJX-UHFFFAOYSA-N 0 1 301.228 2.386 50 5 DEBAMN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C2CCCC2)CC1 ZINC000004700645 181138884 /nfs/dbraw/zinc/13/88/84/181138884.db2.gz AEARGWCUWINPBN-UHFFFAOYSA-N 0 1 303.362 2.295 50 5 DEBAMN Cc1ccc(SCCNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1C ZINC000095977978 193471895 /nfs/dbraw/zinc/47/18/95/193471895.db2.gz JTDIDRYWKYRIEZ-UHFFFAOYSA-N 0 1 320.374 2.457 50 5 DEBAMN C[C@]1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCCc2ccccc21 ZINC000096492500 402096118 /nfs/dbraw/zinc/09/61/18/402096118.db2.gz JZVYPKFVJGLJLE-MRXNPFEDSA-N 0 1 314.345 2.342 50 5 DEBAMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)OCO3)cc1 ZINC000240321561 402442194 /nfs/dbraw/zinc/44/21/94/402442194.db2.gz FAKDPDFNLIMUJY-UHFFFAOYSA-N 0 1 322.298 2.124 50 5 DEBAMN CCc1nc(SCC(=O)c2ccc(OC)c([N+](=O)[O-])c2)n[nH]1 ZINC000005686688 181272374 /nfs/dbraw/zinc/27/23/74/181272374.db2.gz HEDVOGWCTGVQAV-UHFFFAOYSA-N 0 1 322.346 2.259 50 5 DEBAMN CCc1n[nH]c(SCC(=O)c2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000005686688 181272376 /nfs/dbraw/zinc/27/23/76/181272376.db2.gz HEDVOGWCTGVQAV-UHFFFAOYSA-N 0 1 322.346 2.259 50 5 DEBAMN CC(C)(Br)C(=O)Nc1c(O)cccc1[N+](=O)[O-] ZINC000071405345 257217154 /nfs/dbraw/zinc/21/71/54/257217154.db2.gz GMXIEOQTLJJZOZ-UHFFFAOYSA-N 0 1 303.112 2.412 50 5 DEBAMN CCc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 ZINC000002030195 401711786 /nfs/dbraw/zinc/71/17/86/401711786.db2.gz ULHCIXKUSQFZAR-UHFFFAOYSA-N 0 1 323.290 2.169 50 5 DEBAMN CCOc1cc([N+](=O)[O-])cc(C=C2SC(=O)NC2=O)c1O ZINC000013476648 401800147 /nfs/dbraw/zinc/80/01/47/401800147.db2.gz GFRAJWMPVCLLFW-RUDMXATFSA-N 0 1 310.287 2.023 50 5 DEBAMN Nc1cc(N2CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000063110796 402111732 /nfs/dbraw/zinc/11/17/32/402111732.db2.gz SAXABBUALRQIHH-UHFFFAOYSA-N 0 1 312.373 2.499 50 5 DEBAMN CS[C@@H]1CCC[C@@H]1N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000107146003 402226487 /nfs/dbraw/zinc/22/64/87/402226487.db2.gz WPKPBRVICVSWIX-GXTWGEPZSA-N 0 1 323.418 2.410 50 5 DEBAMN CN(C)[C@@H](CNc1cc(F)ccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000302825110 403731008 /nfs/dbraw/zinc/73/10/08/403731008.db2.gz YFTRRPNLUZMZBS-AWEZNQCLSA-N 0 1 307.329 2.182 50 5 DEBAMN CC(C)(COCc1ccccc1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000252510540 424888558 /nfs/dbraw/zinc/88/85/58/424888558.db2.gz ZNIOVYKSFFWWHK-UHFFFAOYSA-N 0 1 318.333 2.043 50 5 DEBAMN Cc1ccc(-c2ccc(/C=C3\NC(=O)NC3=O)o2)cc1[N+](=O)[O-] ZINC000012462451 401786593 /nfs/dbraw/zinc/78/65/93/401786593.db2.gz WJRKIEZGSVCANQ-XFFZJAGNSA-N 0 1 313.269 2.344 50 5 DEBAMN Cc1nnc(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)[nH]1 ZINC000031849986 401874752 /nfs/dbraw/zinc/87/47/52/401874752.db2.gz GGWYUUACEBBKMG-UHFFFAOYSA-N 0 1 318.318 2.364 50 5 DEBAMN Cc1n[nH]c(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)n1 ZINC000031849986 401874753 /nfs/dbraw/zinc/87/47/53/401874753.db2.gz GGWYUUACEBBKMG-UHFFFAOYSA-N 0 1 318.318 2.364 50 5 DEBAMN CCCS(=O)(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000095990495 402043788 /nfs/dbraw/zinc/04/37/88/402043788.db2.gz CRFFYMWPYVQZEC-UHFFFAOYSA-N 0 1 310.335 2.137 50 5 DEBAMN Cc1cc(Oc2ncccn2)ccc1NC(=O)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000058368797 402101112 /nfs/dbraw/zinc/10/11/12/402101112.db2.gz ALFYQODAPCXELB-WCQYABFASA-N 0 1 314.301 2.181 50 5 DEBAMN Cc1c(F)cc(C(=O)N[C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000067863264 402176333 /nfs/dbraw/zinc/17/63/33/402176333.db2.gz QPTPQLFKXZMJIB-NSHDSACASA-N 0 1 307.325 2.009 50 5 DEBAMN O=C(CNCc1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000052537584 402043992 /nfs/dbraw/zinc/04/39/92/402043992.db2.gz PZGXMBASLWHTCY-UHFFFAOYSA-N 0 1 303.293 2.462 50 5 DEBAMN Cc1c(N)cccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000036296273 683880831 /nfs/dbraw/zinc/88/08/31/683880831.db2.gz DZFHJBQMEPAGNB-UHFFFAOYSA-N 0 1 307.331 2.286 50 5 DEBAMN O=C(NCc1n[nH]c(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000058162214 184082627 /nfs/dbraw/zinc/08/26/27/184082627.db2.gz QJUFPQDDOBSPQT-UHFFFAOYSA-N 0 1 323.312 2.310 50 5 DEBAMN O=C(NCc1nc(-c2ccccc2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000058162214 184082629 /nfs/dbraw/zinc/08/26/29/184082629.db2.gz QJUFPQDDOBSPQT-UHFFFAOYSA-N 0 1 323.312 2.310 50 5 DEBAMN CCOCCN(Cc1ccccc1[N+](=O)[O-])C[C@@H](C)C(=O)OC ZINC000065542316 286081785 /nfs/dbraw/zinc/08/17/85/286081785.db2.gz HEDSTZVXARKJMN-CYBMUJFWSA-N 0 1 324.377 2.242 50 5 DEBAMN CCOc1cc(C=C2SC(=O)NC2=O)cc([N+](=O)[O-])c1O ZINC000035979371 401901580 /nfs/dbraw/zinc/90/15/80/401901580.db2.gz KHGSTORHXXLQBR-UITAMQMPSA-N 0 1 310.287 2.023 50 5 DEBAMN C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000044347995 401941879 /nfs/dbraw/zinc/94/18/79/401941879.db2.gz LRZRPHCGXWLJKS-YWVKMMECSA-N 0 1 305.359 2.481 50 5 DEBAMN Cc1nocc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000585118791 405869840 /nfs/dbraw/zinc/86/98/40/405869840.db2.gz BYNLSRBCRNSXFF-UHFFFAOYSA-N 0 1 311.319 2.309 50 5 DEBAMN O=C(c1c(O)cccc1F)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000225403851 201701119 /nfs/dbraw/zinc/70/11/19/201701119.db2.gz WKFUQOKFMUADIG-UHFFFAOYSA-N 0 1 317.276 2.033 50 5 DEBAMN COc1ccccc1CC(=O)Nc1ccc([N+](=O)[O-])cc1O ZINC000004832085 181158800 /nfs/dbraw/zinc/15/88/00/181158800.db2.gz MSQHJQRSGCIMCK-UHFFFAOYSA-N 0 1 302.286 2.490 50 5 DEBAMN O=c1[nH]c(SCc2cccc([N+](=O)[O-])c2)nc2n[nH]cc21 ZINC000018164125 182095819 /nfs/dbraw/zinc/09/58/19/182095819.db2.gz ZTGLRDPFJZWPIM-UHFFFAOYSA-N 0 1 303.303 2.259 50 5 DEBAMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1O ZINC000021817943 182293491 /nfs/dbraw/zinc/29/34/91/182293491.db2.gz XULBLVRBNQRCFS-UHFFFAOYSA-N 0 1 308.315 2.410 50 5 DEBAMN Cc1[nH]nc(C(=O)N(Cc2ccccc2)C2CC2)c1[N+](=O)[O-] ZINC000065613489 184373737 /nfs/dbraw/zinc/37/37/37/184373737.db2.gz CVGYZJAXTNPDES-UHFFFAOYSA-N 0 1 300.318 2.431 50 5 DEBAMN COC(=O)[C@@H](Cc1cnc[nH]1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000075260508 539356360 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C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)c1nnc[nH]1 ZINC000095455208 185369698 /nfs/dbraw/zinc/36/96/98/185369698.db2.gz LNGNHAMXOKLCLG-YFKPBYRVSA-N 0 1 313.115 2.044 50 5 DEBAMN O=C(NCc1cc(Cl)ccc1OC(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000073363932 191309563 /nfs/dbraw/zinc/30/95/63/191309563.db2.gz ICEKLILMAGKKKN-RKDXNWHRSA-N 0 1 320.679 2.223 50 5 DEBAMN O=C(Nc1nc2c(s1)CNCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000075572477 355093848 /nfs/dbraw/zinc/09/38/48/355093848.db2.gz XBFHISMRGQZXTG-UHFFFAOYSA-N 0 1 319.346 2.341 50 5 DEBAMN C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000106566567 194230541 /nfs/dbraw/zinc/23/05/41/194230541.db2.gz LRZRPHCGXWLJKS-FXPVBKGRSA-N 0 1 305.359 2.481 50 5 DEBAMN Cc1ccc([C@@H]2NC(=N)Nc3nc4ccccc4n32)cc1[N+](=O)[O-] ZINC000007126838 401736777 /nfs/dbraw/zinc/73/67/77/401736777.db2.gz FXZWVLLCBBBOOV-CQSZACIVSA-N 0 1 322.328 2.349 50 5 DEBAMN COc1cc(NS(=O)(=O)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000000370931 401695386 /nfs/dbraw/zinc/69/53/86/401695386.db2.gz USPVWAMQFGIZLA-UHFFFAOYSA-N 0 1 308.315 2.404 50 5 DEBAMN O=[N+]([O-])c1ccc(N2CCN(CCc3ccccc3)CC2)nc1 ZINC000008745641 401756510 /nfs/dbraw/zinc/75/65/10/401756510.db2.gz MDNFZEZWBCQGTQ-UHFFFAOYSA-N 0 1 312.373 2.355 50 5 DEBAMN CC(C)CCN1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000048340074 401998325 /nfs/dbraw/zinc/99/83/25/401998325.db2.gz UGSXFRLPWRGWGH-UHFFFAOYSA-N 0 1 305.378 2.399 50 5 DEBAMN CCNC(=O)C1CN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000097083910 402105344 /nfs/dbraw/zinc/10/53/44/402105344.db2.gz BMCRZDHZXYNLLP-UHFFFAOYSA-N 0 1 314.345 2.024 50 5 DEBAMN O=[N+]([O-])c1cnn(Cc2nc3ccc(Br)cc3[nH]2)c1 ZINC000097375589 402123351 /nfs/dbraw/zinc/12/33/51/402123351.db2.gz LDTFQTXBURIDET-UHFFFAOYSA-N 0 1 322.122 2.478 50 5 DEBAMN CCc1nn(C)c(NCc2ccc3nc[nH]c3c2)c1[N+](=O)[O-] ZINC000585117981 405869700 /nfs/dbraw/zinc/86/97/00/405869700.db2.gz LSCLQHFNTPUENT-UHFFFAOYSA-N 0 1 300.322 2.379 50 5 DEBAMN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1c1nnc[nH]1 ZINC000096490147 281016593 /nfs/dbraw/zinc/01/65/93/281016593.db2.gz QOCWPXKNGXAGDN-ZDUSSCGKSA-N 0 1 315.333 2.389 50 5 DEBAMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000240444278 402442133 /nfs/dbraw/zinc/44/21/33/402442133.db2.gz FXDUUTLHAWCCMH-CHWSQXEVSA-N 0 1 321.377 2.341 50 5 DEBAMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C)OC[C@H]1C ZINC000240444278 402442135 /nfs/dbraw/zinc/44/21/35/402442135.db2.gz FXDUUTLHAWCCMH-CHWSQXEVSA-N 0 1 321.377 2.341 50 5 DEBAMN O=C(C[S@](=O)c1ccccc1[N+](=O)[O-])Oc1ccccc1 ZINC000006182967 353995556 /nfs/dbraw/zinc/99/55/56/353995556.db2.gz NUHKGVWIJOCTHB-OAQYLSRUSA-N 0 1 305.311 2.308 50 5 DEBAMN CS[C@H]1CCC[C@@H]1N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072896428 401713940 /nfs/dbraw/zinc/71/39/40/401713940.db2.gz WPKPBRVICVSWIX-JSGCOSHPSA-N 0 1 323.418 2.410 50 5 DEBAMN CC(C)C(=O)N1CCCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075138831 401751577 /nfs/dbraw/zinc/75/15/77/401751577.db2.gz KVYWFKJQVGOUOL-UHFFFAOYSA-N 0 1 319.405 2.328 50 5 DEBAMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccnc2)ccc1Cl ZINC000027587955 401846550 /nfs/dbraw/zinc/84/65/50/401846550.db2.gz SIIWGCRXCLKDRH-UHFFFAOYSA-N 0 1 313.722 2.444 50 5 DEBAMN O=C(CC[N@H+]1CCO[C@H]2CCC[C@H]21)Nc1cccc([N+](=O)[O-])c1 ZINC000230132488 402347959 /nfs/dbraw/zinc/34/79/59/402347959.db2.gz ZCQHQSSGEPUYTB-CABCVRRESA-N 0 1 319.361 2.177 50 5 DEBAMN O=C(CCN1CCO[C@H]2CCC[C@H]21)Nc1cccc([N+](=O)[O-])c1 ZINC000230132488 402347961 /nfs/dbraw/zinc/34/79/61/402347961.db2.gz ZCQHQSSGEPUYTB-CABCVRRESA-N 0 1 319.361 2.177 50 5 DEBAMN O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2cccc(O)c2)c2nonc21 ZINC000006444672 534974095 /nfs/dbraw/zinc/97/40/95/534974095.db2.gz TWNDLNPIWYHOBQ-UHFFFAOYSA-N 0 1 317.217 2.488 50 5 DEBAMN CC1(C)CC(=O)[C@@H]([C@@H](O)c2ccc([N+](=O)[O-])cc2)C(C)(C)N1 ZINC000004785682 401727519 /nfs/dbraw/zinc/72/75/19/401727519.db2.gz JILSLUDMEKLBRA-KBPBESRZSA-N 0 1 306.362 2.364 50 5 DEBAMN Cc1ccc([C@H]2NC(=N)Nc3nc4ccccc4n32)cc1[N+](=O)[O-] ZINC000007126846 281006086 /nfs/dbraw/zinc/00/60/86/281006086.db2.gz FXZWVLLCBBBOOV-AWEZNQCLSA-N 0 1 322.328 2.349 50 5 DEBAMN