smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CCCCO)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001604740869 1167864603 /nfs/dbraw/zinc/86/46/03/1167864603.db2.gz FDQRUGOLPNERFY-UHFFFAOYSA-N -1 1 298.328 1.045 20 5 CDBDMM CN(CCCCO)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001604740869 1167864605 /nfs/dbraw/zinc/86/46/05/1167864605.db2.gz FDQRUGOLPNERFY-UHFFFAOYSA-N -1 1 298.328 1.045 20 5 CDBDMM Cc1nc(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)ccc1F ZINC001212894100 934884062 /nfs/dbraw/zinc/88/40/62/934884062.db2.gz ORGGAQJNXNRDHD-UHFFFAOYSA-N -1 1 290.214 1.877 20 5 CDBDMM CCOC(=O)C1CC(Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225666683 941897108 /nfs/dbraw/zinc/89/71/08/941897108.db2.gz KYLHRHUXLCLMHY-UHFFFAOYSA-N -1 1 282.252 1.416 20 5 CDBDMM COC(=O)c1n[n-]c(O[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC001228312862 942295901 /nfs/dbraw/zinc/29/59/01/942295901.db2.gz XOEDNNSRLJGQRH-SSDOTTSWSA-N -1 1 292.251 1.640 20 5 CDBDMM COC(=O)c1nc(O[C@H](C)c2ccccc2[N+](=O)[O-])n[n-]1 ZINC001228312862 942295907 /nfs/dbraw/zinc/29/59/07/942295907.db2.gz XOEDNNSRLJGQRH-SSDOTTSWSA-N -1 1 292.251 1.640 20 5 CDBDMM O=[N+]([O-])c1ccc([O-])c(O[C@H]2CCOC[C@H]2F)c1 ZINC001229400421 942464966 /nfs/dbraw/zinc/46/49/66/942464966.db2.gz VIYAEYIDWOXMLT-SCZZXKLOSA-N -1 1 257.217 1.806 20 5 CDBDMM Cc1cc([O-])c(OC[C@@H]2COCCO2)cc1[N+](=O)[O-] ZINC001229749872 942526281 /nfs/dbraw/zinc/52/62/81/942526281.db2.gz IHLQYCNAKNGETC-VIFPVBQESA-N -1 1 269.253 1.403 20 5 CDBDMM CC(=O)N1CC(Oc2cc([N+](=O)[O-])c(C)cc2[O-])C1 ZINC001229754455 942526902 /nfs/dbraw/zinc/52/69/02/942526902.db2.gz QCQXYXHJUVHGNR-UHFFFAOYSA-N -1 1 266.253 1.218 20 5 CDBDMM CO[C@H](C)CCOc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231259214 942836976 /nfs/dbraw/zinc/83/69/76/942836976.db2.gz HKYFCCYKLHAJLA-MRVPVSSYSA-N -1 1 256.258 1.808 20 5 CDBDMM COC(=O)[C@@H]1CC[C@H](Oc2nc(C)cc([O-])c2[N+](=O)[O-])C1 ZINC001231265061 942837890 /nfs/dbraw/zinc/83/78/90/942837890.db2.gz WFXVKYZGMDJHCG-BDAKNGLRSA-N -1 1 296.279 1.724 20 5 CDBDMM C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000692786759 976547172 /nfs/dbraw/zinc/54/71/72/976547172.db2.gz PTRHHFGMZYMZTN-LDYMZIIASA-N -1 1 282.271 1.886 20 5 CDBDMM CC[C@]1(O)CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001595396205 980961022 /nfs/dbraw/zinc/96/10/22/980961022.db2.gz STFOHPAUGHIUCD-AWEZNQCLSA-N -1 1 294.307 1.640 20 5 CDBDMM CCCCN(CCO)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001595749212 982421797 /nfs/dbraw/zinc/42/17/97/982421797.db2.gz QLNYRDQWNIWFAW-UHFFFAOYSA-N -1 1 296.323 1.887 20 5 CDBDMM C[C@@H]1CC[C@H](CO)N1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599848919 988980341 /nfs/dbraw/zinc/98/03/41/988980341.db2.gz BNIMNBORJWOFRK-BXKDBHETSA-N -1 1 294.307 1.638 20 5 CDBDMM NC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000340587179 361868392 /nfs/dbraw/zinc/86/83/92/361868392.db2.gz DXQOLJXFJRPUOS-UHFFFAOYSA-N -1 1 289.251 1.666 20 5 CDBDMM C[C@H]1[C@H](CO)CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000412099040 365912211 /nfs/dbraw/zinc/91/22/11/365912211.db2.gz VZGCUDKKUGRPPM-QWRGUYRKSA-N -1 1 280.324 1.893 20 5 CDBDMM CS(=O)(=O)[N-]c1ccc([N+](=O)[O-])c2ncccc12 ZINC000186607332 357668170 /nfs/dbraw/zinc/66/81/70/357668170.db2.gz QVGPALRAGXDXOE-UHFFFAOYSA-N -1 1 267.266 1.515 20 5 CDBDMM CC1(C)CC(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000548373672 366897392 /nfs/dbraw/zinc/89/73/92/366897392.db2.gz HPTJJCJXPDIGJW-UHFFFAOYSA-N -1 1 299.352 1.704 20 5 CDBDMM C[C@H]1CCC[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000275223462 374694144 /nfs/dbraw/zinc/69/41/44/374694144.db2.gz CRJJKECFIWDPJB-IONNQARKSA-N -1 1 265.269 1.614 20 5 CDBDMM CC(C)(CCCO)CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278011977 374827527 /nfs/dbraw/zinc/82/75/27/374827527.db2.gz IKVWSNSONLLGES-UHFFFAOYSA-N -1 1 297.311 1.224 20 5 CDBDMM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ncccc1[O-] ZINC000171248575 376500969 /nfs/dbraw/zinc/50/09/69/376500969.db2.gz ZUAXTCYXGKCWHC-UHFFFAOYSA-N -1 1 287.275 1.968 20 5 CDBDMM CC[C@@H](C[C@@H](C)CO)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445141146 250207864 /nfs/dbraw/zinc/20/78/64/250207864.db2.gz UVCPXPYNAKKEDD-SCZZXKLOSA-N -1 1 297.311 1.222 20 5 CDBDMM CC(C)[C@]1(C)C[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000458111861 391784574 /nfs/dbraw/zinc/78/45/74/391784574.db2.gz GUHGVVZKRUQXIY-MFKMUULPSA-N -1 1 279.296 1.860 20 5 CDBDMM O=C(NCCn1cc([N+](=O)[O-])cn1)c1cc(F)ccc1[O-] ZINC000129926510 391829958 /nfs/dbraw/zinc/82/99/58/391829958.db2.gz UAUUYFYEBJYSMY-UHFFFAOYSA-N -1 1 294.242 1.066 20 5 CDBDMM O=C(Cn1cccc([N+](=O)[O-])c1=O)c1ccc([O-])cc1 ZINC000523225879 393270986 /nfs/dbraw/zinc/27/09/86/393270986.db2.gz SNSAKRVVGXVVCQ-UHFFFAOYSA-N -1 1 274.232 1.345 20 5 CDBDMM CC[C@@H]1C[C@H](C)CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445001335 280551705 /nfs/dbraw/zinc/55/17/05/280551705.db2.gz UFTLVJXXZADLSL-WCBMZHEXSA-N -1 1 279.296 1.956 20 5 CDBDMM Cn1cnc([N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000562186423 293117024 /nfs/dbraw/zinc/11/70/24/293117024.db2.gz NFIPZLFRALOAKW-UHFFFAOYSA-N -1 1 281.659 1.629 20 5 CDBDMM C[C@@H]1CN(C)[C@@H](C)CN1c1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000577377180 317318056 /nfs/dbraw/zinc/31/80/56/317318056.db2.gz FDHYZBNAAQFBAB-DTWKUNHWSA-N -1 1 294.311 1.217 20 5 CDBDMM Cc1cc(NCC[C@H](C)O)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592051107 1173787402 /nfs/dbraw/zinc/78/74/02/1173787402.db2.gz JIZRVXJBOVMJEB-QMMMGPOBSA-N -1 1 292.299 1.266 20 5 CDBDMM Cc1cc(NCC[C@H](C)O)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592051107 1173787406 /nfs/dbraw/zinc/78/74/06/1173787406.db2.gz JIZRVXJBOVMJEB-QMMMGPOBSA-N -1 1 292.299 1.266 20 5 CDBDMM CN(CC(=O)[O-])Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444681 522527393 /nfs/dbraw/zinc/52/73/93/522527393.db2.gz WJZFOYITTMWDNL-UHFFFAOYSA-N -1 1 258.661 1.765 20 5 CDBDMM Cc1[nH]nc(C(=O)[N-]c2cccc3nonc32)c1[N+](=O)[O-] ZINC000773386306 575806166 /nfs/dbraw/zinc/80/61/66/575806166.db2.gz XEEFSEQMXAWCJJ-UHFFFAOYSA-N -1 1 288.223 1.415 20 5 CDBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CC[C@H]3C[C@H]32)c1 ZINC001602404953 1175231759 /nfs/dbraw/zinc/23/17/59/1175231759.db2.gz JVSQQEUIEJZKIA-QPUJVOFHSA-N -1 1 262.265 1.887 20 5 CDBDMM CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC000817982739 604837646 /nfs/dbraw/zinc/83/76/46/604837646.db2.gz HIRZQVSFAVZYLD-SSDOTTSWSA-N -1 1 296.283 1.131 20 5 CDBDMM CC(C)CN(C)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820081615 606702862 /nfs/dbraw/zinc/70/28/62/606702862.db2.gz NIJNTZISCONEGR-UHFFFAOYSA-N -1 1 277.288 1.262 20 5 CDBDMM CC(C)CN(C)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820081615 606702865 /nfs/dbraw/zinc/70/28/65/606702865.db2.gz NIJNTZISCONEGR-UHFFFAOYSA-N -1 1 277.288 1.262 20 5 CDBDMM CN(CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C1CCC1 ZINC000901217007 624013392 /nfs/dbraw/zinc/01/33/92/624013392.db2.gz FLSXLTMMNTXKQP-UHFFFAOYSA-N -1 1 279.296 1.723 20 5 CDBDMM C[C@@H](Cc1ccco1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000914867298 631588748 /nfs/dbraw/zinc/58/87/48/631588748.db2.gz VVDZFVRUVPHSID-QMMMGPOBSA-N -1 1 291.263 1.649 20 5 CDBDMM O=C1[N-]C(=O)C(=Cc2ccc([N+](=O)[O-])s2)S1 ZINC000214271806 632170369 /nfs/dbraw/zinc/17/03/69/632170369.db2.gz QIYCVTHKQYGVRQ-HWKANZROSA-N -1 1 256.264 1.980 20 5 CDBDMM C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814972651 677831182 /nfs/dbraw/zinc/83/11/82/677831182.db2.gz HJWXRVNPXNIJNC-UHFFFAOYSA-N -1 1 268.653 1.295 20 5 CDBDMM Nc1ccc(C(=O)Nc2ccncc2[O-])cc1[N+](=O)[O-] ZINC000109890409 678536031 /nfs/dbraw/zinc/53/60/31/678536031.db2.gz OAMBVGXGXKQIKC-UHFFFAOYSA-N -1 1 274.236 1.530 20 5 CDBDMM C[C@H]1CSCCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000889925274 679195706 /nfs/dbraw/zinc/19/57/06/679195706.db2.gz YKIFHAYGPVJSDB-QMMMGPOBSA-N -1 1 297.336 1.663 20 5 CDBDMM C[C@@H](O)CCNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001591731628 1173691072 /nfs/dbraw/zinc/69/10/72/1173691072.db2.gz NCZLOKPGEVROIT-RXMQYKEDSA-N -1 1 284.301 1.019 20 5 CDBDMM C[C@@H](O)CCNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001591731628 1173691074 /nfs/dbraw/zinc/69/10/74/1173691074.db2.gz NCZLOKPGEVROIT-RXMQYKEDSA-N -1 1 284.301 1.019 20 5 CDBDMM Cc1cccc(Oc2ccnc(-c3nn[n-]n3)n2)c1[N+](=O)[O-] ZINC001592238761 1173836237 /nfs/dbraw/zinc/83/62/37/1173836237.db2.gz HUECMYDQUHXWFC-UHFFFAOYSA-N -1 1 299.250 1.666 20 5 CDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CC[C@H]2C[C@H]2C1 ZINC001593466900 1174080106 /nfs/dbraw/zinc/08/01/06/1174080106.db2.gz OEIWSIOSUVKGNS-IUCAKERBSA-N -1 1 286.295 1.621 20 5 CDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CC[C@H]2C[C@H]2C1 ZINC001593466900 1174080110 /nfs/dbraw/zinc/08/01/10/1174080110.db2.gz OEIWSIOSUVKGNS-IUCAKERBSA-N -1 1 286.295 1.621 20 5 CDBDMM CC[C@@H](C)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001609187141 1164829733 /nfs/dbraw/zinc/82/97/33/1164829733.db2.gz VQDZBQXUHZFXBZ-SSDOTTSWSA-N -1 1 262.273 1.985 20 5 CDBDMM CC[C@@H](C)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001609187141 1164829744 /nfs/dbraw/zinc/82/97/44/1164829744.db2.gz VQDZBQXUHZFXBZ-SSDOTTSWSA-N -1 1 262.273 1.985 20 5 CDBDMM CC1(C)OC[C@H](CCOc2[n-]ccc(=O)c2[N+](=O)[O-])O1 ZINC001225665541 903638124 /nfs/dbraw/zinc/63/81/24/903638124.db2.gz BPIYCDBYAXDTEQ-QMMMGPOBSA-N -1 1 284.268 1.616 20 5 CDBDMM C[C@@H](OCc1nn[n-]n1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001223030497 941651741 /nfs/dbraw/zinc/65/17/41/941651741.db2.gz XZDSGBOFKWLYBI-ZCFIWIBFSA-N -1 1 293.239 1.114 20 5 CDBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1OC(C)C ZINC001226307425 941983868 /nfs/dbraw/zinc/98/38/68/941983868.db2.gz MAPQZSBZHFRGOK-UHFFFAOYSA-N -1 1 270.241 1.659 20 5 CDBDMM C[C@H](Oc1nc(=O)[nH]c(=O)[n-]1)c1ccccc1[N+](=O)[O-] ZINC001227569960 942190371 /nfs/dbraw/zinc/19/03/71/942190371.db2.gz HPGGDJDNDZXODR-LURJTMIESA-N -1 1 278.224 1.331 20 5 CDBDMM O=c1[n-]cnc(O[C@H]2CCc3cccnc32)c1[N+](=O)[O-] ZINC001228142172 942274407 /nfs/dbraw/zinc/27/44/07/942274407.db2.gz ZQSKVHUDMXAXAW-QMMMGPOBSA-N -1 1 274.236 1.552 20 5 CDBDMM O=C1CC(Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])C1 ZINC001228859538 942385872 /nfs/dbraw/zinc/38/58/72/942385872.db2.gz KRSJTYBJARALAM-UHFFFAOYSA-N -1 1 292.169 1.825 20 5 CDBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2CCn3ccnc32)n1 ZINC001231259715 942835572 /nfs/dbraw/zinc/83/55/72/942835572.db2.gz PIBDXLMPOQZERA-SECBINFHSA-N -1 1 276.252 1.724 20 5 CDBDMM CN(Cc1cccnc1[N+](=O)[O-])[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001339205962 962243231 /nfs/dbraw/zinc/24/32/31/962243231.db2.gz GJECUPPIVDISJV-AOOOYVTPSA-N -1 1 265.269 1.285 20 5 CDBDMM Cc1cc(NC[C@@H]2CCN2C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000710207663 977494180 /nfs/dbraw/zinc/49/41/80/977494180.db2.gz NWHQXEWCOGRUTG-VIFPVBQESA-N -1 1 279.296 1.717 20 5 CDBDMM CN1CC[C@@H]1CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001598588864 993423520 /nfs/dbraw/zinc/42/35/20/993423520.db2.gz KTCPUGVCPDBOHC-JOAKQRRISA-N -1 1 291.307 1.809 20 5 CDBDMM COCCCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605089086 1163448291 /nfs/dbraw/zinc/44/82/91/1163448291.db2.gz NQOAAYDISRNTBJ-UHFFFAOYSA-N -1 1 278.272 1.223 20 5 CDBDMM COCCCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605089086 1163448298 /nfs/dbraw/zinc/44/82/98/1163448298.db2.gz NQOAAYDISRNTBJ-UHFFFAOYSA-N -1 1 278.272 1.223 20 5 CDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@H]2C[C@H]2C1 ZINC000598331140 343760454 /nfs/dbraw/zinc/76/04/54/343760454.db2.gz NVHFGQJCMINUND-CBAPKCEASA-N -1 1 263.253 1.177 20 5 CDBDMM O=C(Nc1ccccc1-n1cncn1)c1ccc([N+](=O)[O-])[n-]1 ZINC000604086078 344856404 /nfs/dbraw/zinc/85/64/04/344856404.db2.gz YFQKLJSVNJGOHI-UHFFFAOYSA-N -1 1 298.262 1.756 20 5 CDBDMM CC(C)CCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000025328223 362512560 /nfs/dbraw/zinc/51/25/60/362512560.db2.gz OBAIAHNPJSTPLL-UHFFFAOYSA-N -1 1 267.285 1.449 20 5 CDBDMM CCC[C@H](C)[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000611104546 346609131 /nfs/dbraw/zinc/60/91/31/346609131.db2.gz CMTSYRHIGAQRRU-QMMMGPOBSA-N -1 1 290.345 1.278 20 5 CDBDMM CC(C)COCCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186848301 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/nfs/dbraw/zinc/30/72/02/358307202.db2.gz SODAPKCTQVNUGF-SECBINFHSA-N -1 1 297.311 1.222 20 5 CDBDMM O=C(Nc1nc2c(s1)COCC2)c1ccc([N+](=O)[O-])[n-]1 ZINC000263943691 359075470 /nfs/dbraw/zinc/07/54/70/359075470.db2.gz KEFKRFZAQJNBFX-UHFFFAOYSA-N -1 1 294.292 1.704 20 5 CDBDMM CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@H]1CCCO1 ZINC000152552788 359913660 /nfs/dbraw/zinc/91/36/60/359913660.db2.gz RGPSUVWDEMVOHT-GHMZBOCLSA-N -1 1 295.295 1.383 20 5 CDBDMM C[C@@H]1[C@@H](C)CCN1C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000177141455 189031804 /nfs/dbraw/zinc/03/18/04/189031804.db2.gz KWEDKHYXRUAQSE-JGVFFNPUSA-N -1 1 265.269 1.566 20 5 CDBDMM CC(C)[C@@H]1C[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000412383571 240185362 /nfs/dbraw/zinc/18/53/62/240185362.db2.gz LNXTUEHAQUXFBT-WPRPVWTQSA-N -1 1 279.296 1.717 20 5 CDBDMM CCc1nc(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)n[n-]1 ZINC000152000838 365053327 /nfs/dbraw/zinc/05/33/27/365053327.db2.gz AGPJEPDXBKZQAW-UHFFFAOYSA-N -1 1 296.308 1.249 20 5 CDBDMM 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O=C([O-])c1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])cc1Cl ZINC001608905749 1164681897 /nfs/dbraw/zinc/68/18/97/1164681897.db2.gz PSCOMRWIFLYETK-VXNVDRBHSA-N -1 1 285.639 1.609 20 5 CDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CC[C@H]2C[C@H]21 ZINC001609599700 1164998733 /nfs/dbraw/zinc/99/87/33/1164998733.db2.gz WBWFZNBRSZLVIQ-OIBJUYFYSA-N -1 1 272.268 1.374 20 5 CDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CC[C@H]2C[C@H]21 ZINC001609599700 1164998736 /nfs/dbraw/zinc/99/87/36/1164998736.db2.gz WBWFZNBRSZLVIQ-OIBJUYFYSA-N -1 1 272.268 1.374 20 5 CDBDMM C[C@@H]1[C@@H](C)CN1c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001590317478 1173355744 /nfs/dbraw/zinc/35/57/44/1173355744.db2.gz AMGSCQRGCNKSMQ-NKWVEPMBSA-N -1 1 275.272 1.015 20 5 CDBDMM C[C@@H]1[C@@H](C)CN1c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001590317478 1173355753 /nfs/dbraw/zinc/35/57/53/1173355753.db2.gz AMGSCQRGCNKSMQ-NKWVEPMBSA-N -1 1 275.272 1.015 20 5 CDBDMM CO[C@@H](C)CN(C)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001591322876 1173610749 /nfs/dbraw/zinc/61/07/49/1173610749.db2.gz DXLGRNVZHMLVIG-LURJTMIESA-N -1 1 298.328 1.308 20 5 CDBDMM CO[C@@H](C)CN(C)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001591322876 1173610753 /nfs/dbraw/zinc/61/07/53/1173610753.db2.gz DXLGRNVZHMLVIG-LURJTMIESA-N -1 1 298.328 1.308 20 5 CDBDMM Cc1cc(Oc2nnccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001592062470 1173792271 /nfs/dbraw/zinc/79/22/71/1173792271.db2.gz GAUUMZGEXQKHSB-UHFFFAOYSA-N -1 1 299.250 1.666 20 5 CDBDMM Cc1cc(Oc2nnccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001592062470 1173792278 /nfs/dbraw/zinc/79/22/78/1173792278.db2.gz GAUUMZGEXQKHSB-UHFFFAOYSA-N -1 1 299.250 1.666 20 5 CDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CC(C2CC2)C1 ZINC001593467387 1174079861 /nfs/dbraw/zinc/07/98/61/1174079861.db2.gz XNJQTKBRDHPHSR-UHFFFAOYSA-N -1 1 286.295 1.621 20 5 CDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CC(C2CC2)C1 ZINC001593467387 1174079867 /nfs/dbraw/zinc/07/98/67/1174079867.db2.gz XNJQTKBRDHPHSR-UHFFFAOYSA-N -1 1 286.295 1.621 20 5 CDBDMM O=[N+]([O-])c1ccc(Oc2nnccc2-c2nnn[n-]2)cc1 ZINC001593479483 1174081014 /nfs/dbraw/zinc/08/10/14/1174081014.db2.gz FXPXZUYCSSTEGV-UHFFFAOYSA-N -1 1 285.223 1.357 20 5 CDBDMM O=[N+]([O-])c1ccc(Oc2nnccc2-c2nn[n-]n2)cc1 ZINC001593479483 1174081019 /nfs/dbraw/zinc/08/10/19/1174081019.db2.gz FXPXZUYCSSTEGV-UHFFFAOYSA-N -1 1 285.223 1.357 20 5 CDBDMM O=[N+]([O-])c1cccc(Oc2ccncc2-c2nn[n-]n2)c1 ZINC001593483649 1174084082 /nfs/dbraw/zinc/08/40/82/1174084082.db2.gz AHYNIWQVOIJLPB-UHFFFAOYSA-N -1 1 284.235 1.962 20 5 CDBDMM C[C@H]1C[C@@H]1CNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001603872428 1175664948 /nfs/dbraw/zinc/66/49/48/1175664948.db2.gz RLZWQQLJWHDIIH-NKWVEPMBSA-N -1 1 289.299 1.425 20 5 CDBDMM C[C@H]1C[C@@H]1CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001603872428 1175664949 /nfs/dbraw/zinc/66/49/49/1175664949.db2.gz RLZWQQLJWHDIIH-NKWVEPMBSA-N -1 1 289.299 1.425 20 5 CDBDMM CC[C@H](C)CON=c1[n-]cc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001604003808 1175717850 /nfs/dbraw/zinc/71/78/50/1175717850.db2.gz KLEGJYALDNFCAW-ZETCQYMHSA-N -1 1 293.287 1.560 20 5 CDBDMM O=C([O-])[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(Cl)c1 ZINC001608558450 1164544834 /nfs/dbraw/zinc/54/48/34/1164544834.db2.gz UZSTUUBJRKPFGM-BBBLOLIVSA-N -1 1 299.666 1.674 20 5 CDBDMM CCc1ccc(OS(=O)(=O)c2c[n-]cn2)c([N+](=O)[O-])c1 ZINC000122200065 752849335 /nfs/dbraw/zinc/84/93/35/752849335.db2.gz ZTAYQFOIGGCVJM-UHFFFAOYSA-N -1 1 297.292 1.648 20 5 CDBDMM O=C([O-])c1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(F)cc1F ZINC001610813866 1165450874 /nfs/dbraw/zinc/45/08/74/1165450874.db2.gz RFOOADHXKZYTII-MLUIRONXSA-N -1 1 286.190 1.267 20 5 CDBDMM O=[N+]([O-])c1ccc(OS(=O)(=O)c2c[n-]cn2)c(F)c1 ZINC000121672743 896556072 /nfs/dbraw/zinc/55/60/72/896556072.db2.gz RBVYZOBFWANWRP-UHFFFAOYSA-N -1 1 287.228 1.225 20 5 CDBDMM Nc1c2c(nn1-c1cc([O-])cc([N+](=O)[O-])c1)CCC2 ZINC001199801706 925868032 /nfs/dbraw/zinc/86/80/32/925868032.db2.gz HKJYMJHXFXYLDJ-UHFFFAOYSA-N -1 1 260.253 1.557 20 5 CDBDMM CO[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C(C)(C)C ZINC001160872520 938835147 /nfs/dbraw/zinc/83/51/47/938835147.db2.gz FGLAHKXJZGKDSN-SNVBAGLBSA-N -1 1 297.311 1.486 20 5 CDBDMM CCN1CC(Oc2cc([N+](=O)[O-])c(C)cc2[O-])C1 ZINC001229749613 942525371 /nfs/dbraw/zinc/52/53/71/942525371.db2.gz FWNUUGIJFQXKHA-UHFFFAOYSA-N -1 1 252.270 1.692 20 5 CDBDMM O=C([O-])[C@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC001331997290 948604981 /nfs/dbraw/zinc/60/49/81/948604981.db2.gz PBDPTLBSYJGZCI-JTQLQIEISA-N -1 1 265.269 1.286 20 5 CDBDMM COc1cc(CN(C)CC(=O)[O-])c([N+](=O)[O-])cc1F ZINC001594055767 958032933 /nfs/dbraw/zinc/03/29/33/958032933.db2.gz AMDLJLAEOUMBIT-UHFFFAOYSA-N -1 1 272.232 1.259 20 5 CDBDMM CCCN(CCO)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001605316480 1163521971 /nfs/dbraw/zinc/52/19/71/1163521971.db2.gz UIAOMUCKTSSLIH-UHFFFAOYSA-N -1 1 282.296 1.497 20 5 CDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H]2CCC[C@@H]21 ZINC000618394669 349453431 /nfs/dbraw/zinc/45/34/31/349453431.db2.gz QOJQNAGFUMWFBF-WPRPVWTQSA-N -1 1 277.280 1.710 20 5 CDBDMM C[C@@H](CC(=O)[O-])N(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000565373386 365640336 /nfs/dbraw/zinc/64/03/36/365640336.db2.gz RRNAXDRJFJHRGA-QMMMGPOBSA-N -1 1 292.295 1.766 20 5 CDBDMM C[C@H]1SCC[C@H]1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000592952521 342749420 /nfs/dbraw/zinc/74/94/20/342749420.db2.gz ZRWHSHNEJHOFHS-HZGVNTEJSA-N -1 1 283.309 1.319 20 5 CDBDMM C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CCC[N@H+]1C ZINC000436824187 362244305 /nfs/dbraw/zinc/24/43/05/362244305.db2.gz ACDSKBYDYZDQJZ-CABZTGNLSA-N -1 1 293.323 1.513 20 5 CDBDMM COCC1(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCCC1 ZINC000597885749 343657669 /nfs/dbraw/zinc/65/76/69/343657669.db2.gz SJDYKBQUALCLHK-UHFFFAOYSA-N -1 1 295.295 1.384 20 5 CDBDMM Cc1occc1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000604311143 344875189 /nfs/dbraw/zinc/87/51/89/344875189.db2.gz UKNBXVHJDLSWKB-UHFFFAOYSA-N -1 1 277.236 1.527 20 5 CDBDMM COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000092924430 351300609 /nfs/dbraw/zinc/30/06/09/351300609.db2.gz WVEZNDCJKLZNFL-JOYOIKCWSA-N -1 1 294.307 1.898 20 5 CDBDMM C[C@@H](O)[C@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000578250151 356303249 /nfs/dbraw/zinc/30/32/49/356303249.db2.gz QQZHLBSSPAIWEQ-MNOVXSKESA-N -1 1 280.324 1.893 20 5 CDBDMM CC(C)(C)[C@@H](CCO)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185906290 357591118 /nfs/dbraw/zinc/59/11/18/357591118.db2.gz DREGGQZCLHUCCU-SNVBAGLBSA-N -1 1 297.311 1.222 20 5 CDBDMM C[C@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000187040194 357720926 /nfs/dbraw/zinc/72/09/26/357720926.db2.gz FFEYDTWMWCTAGO-VIFPVBQESA-N -1 1 279.296 1.958 20 5 CDBDMM CCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000092547519 358552833 /nfs/dbraw/zinc/55/28/33/358552833.db2.gz LPXQTTQWKORHMT-UHFFFAOYSA-N -1 1 279.296 1.723 20 5 CDBDMM C[C@H]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000339791733 359444458 /nfs/dbraw/zinc/44/44/58/359444458.db2.gz GSBIAPCJXMYIDU-IUCAKERBSA-N -1 1 279.296 1.861 20 5 CDBDMM O=C(Nc1ccc2[nH]nnc2c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000156715200 237079632 /nfs/dbraw/zinc/07/96/32/237079632.db2.gz CVLOKAMLCJMNRQ-UHFFFAOYSA-N -1 1 299.246 1.824 20 5 CDBDMM O=c1[n-]nc([C@@H]2CCCN(c3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000367364907 361355291 /nfs/dbraw/zinc/35/52/91/361355291.db2.gz YOVDPECWMSYWGX-MRVPVSSYSA-N -1 1 291.267 1.462 20 5 CDBDMM CO[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1(C)C ZINC000440132160 364611712 /nfs/dbraw/zinc/61/17/12/364611712.db2.gz JFABDXSYUMCKGL-VHSXEESVSA-N -1 1 295.295 1.239 20 5 CDBDMM CCC1(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000295945384 370791470 /nfs/dbraw/zinc/79/14/70/370791470.db2.gz QLVKIMWBGPJVBW-UHFFFAOYSA-N -1 1 251.242 1.368 20 5 CDBDMM C[C@@]1(O)CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000280184665 374985978 /nfs/dbraw/zinc/98/59/78/374985978.db2.gz CTFLHGIUYLHNJT-CYBMUJFWSA-N -1 1 295.295 1.073 20 5 CDBDMM O=C(NCc1cccs1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000028813010 378577002 /nfs/dbraw/zinc/57/70/02/378577002.db2.gz DTNRIBOTRNUIST-UHFFFAOYSA-N -1 1 279.277 1.275 20 5 CDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@H]2CCC[C@@H]21 ZINC000278046446 296283533 /nfs/dbraw/zinc/28/35/33/296283533.db2.gz CLSLLDSQCKTUSY-ONGXEEELSA-N -1 1 293.279 1.089 20 5 CDBDMM C[C@H](C1CCC1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445138954 250208444 /nfs/dbraw/zinc/20/84/44/250208444.db2.gz PZGMARQSSFOJLR-MRVPVSSYSA-N -1 1 279.296 1.956 20 5 CDBDMM CC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(F)F ZINC000452267819 252003102 /nfs/dbraw/zinc/00/31/02/252003102.db2.gz WPWWRCGIKDIMFC-LURJTMIESA-N -1 1 275.211 1.469 20 5 CDBDMM CC[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000236971566 391126628 /nfs/dbraw/zinc/12/66/28/391126628.db2.gz AVJALQSEQWWVGY-MRVPVSSYSA-N -1 1 292.251 1.064 20 5 CDBDMM CN(Cc1ccccn1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000361912582 159015030 /nfs/dbraw/zinc/01/50/30/159015030.db2.gz RLAWUDABVIZJJD-UHFFFAOYSA-N -1 1 288.263 1.363 20 5 CDBDMM CC(F)(F)CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001589908472 1173201579 /nfs/dbraw/zinc/20/15/79/1173201579.db2.gz NVTMZNNMBOEXAL-UHFFFAOYSA-N -1 1 284.226 1.842 20 5 CDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CC[C@@H](F)C1 ZINC000518949979 265238261 /nfs/dbraw/zinc/23/82/61/265238261.db2.gz DTHFZQGBGBNKJQ-HTQZYQBOSA-N -1 1 289.288 1.159 20 5 CDBDMM CN1CCN(C(=O)c2ccc([N+](=O)[O-])[n-]2)c2cccnc21 ZINC000488232694 277098331 /nfs/dbraw/zinc/09/83/31/277098331.db2.gz NXEJOWLBNVPTEZ-UHFFFAOYSA-N -1 1 287.279 1.415 20 5 CDBDMM O=C(NCc1cccc([N+](=O)[O-])c1)c1cncc([O-])c1 ZINC000111776745 279325342 /nfs/dbraw/zinc/32/53/42/279325342.db2.gz JTHLIOPLOIXHEA-UHFFFAOYSA-N -1 1 273.248 1.625 20 5 CDBDMM O=C(Nc1ccc(-n2ccnn2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000339262863 527150884 /nfs/dbraw/zinc/15/08/84/527150884.db2.gz HNXKUBYXNMSEII-UHFFFAOYSA-N -1 1 298.262 1.756 20 5 CDBDMM CCCN(CC)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278009516 527961508 /nfs/dbraw/zinc/96/15/08/527961508.db2.gz YKZWGBNIFFCEER-UHFFFAOYSA-N -1 1 253.258 1.568 20 5 CDBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1ncccn1 ZINC000742227423 576589987 /nfs/dbraw/zinc/58/99/87/576589987.db2.gz MBFUANJLBHFRGU-UHFFFAOYSA-N -1 1 262.200 1.776 20 5 CDBDMM CCc1[nH]nc(C(=O)N(CC(=O)[O-])[C@@H](C)CC)c1[N+](=O)[O-] ZINC001605776339 1163669082 /nfs/dbraw/zinc/66/90/82/1163669082.db2.gz VUVLEHWSRSYOBR-ZETCQYMHSA-N -1 1 298.299 1.206 20 5 CDBDMM CO[C@H](C)CN(C)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609309200 1164891698 /nfs/dbraw/zinc/89/16/98/1164891698.db2.gz WUZFWNKNKCRTPU-MRVPVSSYSA-N -1 1 292.299 1.246 20 5 CDBDMM CC1CC(Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)C1 ZINC001590194843 1173290629 /nfs/dbraw/zinc/29/06/29/1173290629.db2.gz ZIFLGCROQCUVJW-UHFFFAOYSA-N -1 1 263.261 1.018 20 5 CDBDMM O=[N+]([O-])c1ccc(N2C[C@@H]3C[C@@H]3C2)cc1-c1nnn[n-]1 ZINC001593475487 1174081035 /nfs/dbraw/zinc/08/10/35/1174081035.db2.gz BAWAKFMZBJMTRW-OCAPTIKFSA-N -1 1 272.268 1.231 20 5 CDBDMM O=[N+]([O-])c1ccc(N2C[C@@H]3C[C@@H]3C2)cc1-c1nn[n-]n1 ZINC001593475487 1174081041 /nfs/dbraw/zinc/08/10/41/1174081041.db2.gz BAWAKFMZBJMTRW-OCAPTIKFSA-N -1 1 272.268 1.231 20 5 CDBDMM O=[N+]([O-])c1cn(CC[C@@H]2C[C@H]2C2CC2)nc1-c1nn[n-]n1 ZINC001593487494 1174083790 /nfs/dbraw/zinc/08/37/90/1174083790.db2.gz YYANYPHYBOXAAQ-BDAKNGLRSA-N -1 1 289.299 1.408 20 5 CDBDMM Cc1ccc(Cl)c(C(=O)[O-])c1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001600424106 1174472233 /nfs/dbraw/zinc/47/22/33/1174472233.db2.gz RZCDJUCRNYRRMR-HTRCEHHLSA-N -1 1 298.682 1.950 20 5 CDBDMM Cn1nccc1[C@H](NCc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001601034721 1174709960 /nfs/dbraw/zinc/70/99/60/1174709960.db2.gz RFINGGOGNNHAHQ-LBPRGKRZSA-N -1 1 290.279 1.244 20 5 CDBDMM O=C([O-])C12CC(C1)C[N@H+]2Cc1cc(F)ccc1[N+](=O)[O-] ZINC001601728306 1174970637 /nfs/dbraw/zinc/97/06/37/1174970637.db2.gz KGXNZIUIPQWZOX-UHFFFAOYSA-N -1 1 280.255 1.783 20 5 CDBDMM O=C([O-])C12CC(C1)CN2Cc1cc(F)ccc1[N+](=O)[O-] ZINC001601728306 1174970641 /nfs/dbraw/zinc/97/06/41/1174970641.db2.gz KGXNZIUIPQWZOX-UHFFFAOYSA-N -1 1 280.255 1.783 20 5 CDBDMM C[C@@H]1C[C@H]1CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001603870504 1175661979 /nfs/dbraw/zinc/66/19/79/1175661979.db2.gz IDCMFRRMQPUZBS-SFYZADRCSA-N -1 1 274.284 1.843 20 5 CDBDMM Nc1cc(NC2CCC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001606451054 1163905884 /nfs/dbraw/zinc/90/58/84/1163905884.db2.gz IZMQMXAFRNNIAB-UHFFFAOYSA-N -1 1 275.272 1.322 20 5 CDBDMM Nc1cc(NC2CCC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001606451054 1163905890 /nfs/dbraw/zinc/90/58/90/1163905890.db2.gz IZMQMXAFRNNIAB-UHFFFAOYSA-N -1 1 275.272 1.322 20 5 CDBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@H](CO)C1CC1 ZINC001607085766 1164074853 /nfs/dbraw/zinc/07/48/53/1164074853.db2.gz NCXPGOSMKPSFGQ-SSDOTTSWSA-N -1 1 296.312 1.019 20 5 CDBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@H](CO)C1CC1 ZINC001607085766 1164074859 /nfs/dbraw/zinc/07/48/59/1164074859.db2.gz NCXPGOSMKPSFGQ-SSDOTTSWSA-N -1 1 296.312 1.019 20 5 CDBDMM Cn1cnc([N-]C(=O)c2cc(F)ccc2[N+](=O)[O-])n1 ZINC000817145965 755686640 /nfs/dbraw/zinc/68/66/40/755686640.db2.gz FDRDHCRRUKVDLU-UHFFFAOYSA-N -1 1 265.204 1.115 20 5 CDBDMM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000780914041 756522708 /nfs/dbraw/zinc/52/27/08/756522708.db2.gz RURTZGNUTQHMHJ-BDAKNGLRSA-N -1 1 285.325 1.457 20 5 CDBDMM O=[N+]([O-])C[C@@H](OCCCC[P@@](=O)([O-])O)C1CC1 ZINC001225019669 911596772 /nfs/dbraw/zinc/59/67/72/911596772.db2.gz ZQKRXISEBDXZKE-SECBINFHSA-N -1 1 267.218 1.016 20 5 CDBDMM CC[C@]1(C)COCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001152375037 925277604 /nfs/dbraw/zinc/27/76/04/925277604.db2.gz QRLMWBKLTSENLE-CYBMUJFWSA-N -1 1 295.295 1.337 20 5 CDBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2ccncc2)no1 ZINC001212893344 934880970 /nfs/dbraw/zinc/88/09/70/934880970.db2.gz ZCCRKZLQFVCDMW-UHFFFAOYSA-N -1 1 258.197 1.430 20 5 CDBDMM Cc1cccc([N+](=O)[O-])c1NCC[N-]C(=O)C(F)(F)F ZINC001164243867 939439828 /nfs/dbraw/zinc/43/98/28/939439828.db2.gz JBISOMGJWLOADI-UHFFFAOYSA-N -1 1 291.229 1.994 20 5 CDBDMM O=Nc1c(=O)[nH]c(=O)[nH]c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393834 940688127 /nfs/dbraw/zinc/68/81/27/940688127.db2.gz IYWYAKJDRRUGKV-UHFFFAOYSA-N -1 1 293.195 1.643 20 5 CDBDMM Cc1cnn(CCO)c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210396561 940688225 /nfs/dbraw/zinc/68/82/25/940688225.db2.gz UXNJUKSHCLYTKV-UHFFFAOYSA-N -1 1 278.268 1.541 20 5 CDBDMM Cc1c([C@H](C)Oc2[n-]ccc(=O)c2[N+](=O)[O-])cnn1C ZINC001225662242 941896430 /nfs/dbraw/zinc/89/64/30/941896430.db2.gz RVSAJWABZROSRO-QMMMGPOBSA-N -1 1 278.268 1.877 20 5 CDBDMM C[C@@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1cccnc1F ZINC001228140015 942273713 /nfs/dbraw/zinc/27/37/13/942273713.db2.gz DJBREGDUCODJQR-ZCFIWIBFSA-N -1 1 280.215 1.765 20 5 CDBDMM CCC[C@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])C(=O)OCC ZINC001228143651 942274513 /nfs/dbraw/zinc/27/45/13/942274513.db2.gz OYQVMGHTCSXCMV-ZETCQYMHSA-N -1 1 285.256 1.201 20 5 CDBDMM Cc1cc([O-])c([N+](=O)[O-])c(OC2CCN(CCF)CC2)n1 ZINC001231259588 942835328 /nfs/dbraw/zinc/83/53/28/942835328.db2.gz OPONNGQNIMVIEE-UHFFFAOYSA-N -1 1 299.302 1.817 20 5 CDBDMM CO[C@@H](C)CCOc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231259215 942835454 /nfs/dbraw/zinc/83/54/54/942835454.db2.gz HKYFCCYKLHAJLA-QMMMGPOBSA-N -1 1 256.258 1.808 20 5 CDBDMM C/C(=C/CN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC001588977714 984835091 /nfs/dbraw/zinc/83/50/91/984835091.db2.gz BCWPLOLRLIKISK-APFBBLRHSA-N -1 1 294.307 1.423 20 5 CDBDMM C[C@@H]1CC[C@@H](O)CN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599849416 988988475 /nfs/dbraw/zinc/98/84/75/988988475.db2.gz UDGSYYLQLPLUQZ-BXKDBHETSA-N -1 1 294.307 1.638 20 5 CDBDMM C[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC001599867543 989294601 /nfs/dbraw/zinc/29/46/01/989294601.db2.gz YWHIRZGMBOWFTI-PSASIEDQSA-N -1 1 265.269 1.142 20 5 CDBDMM CCC[C@@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618338513 349441077 /nfs/dbraw/zinc/44/10/77/349441077.db2.gz UXOCUSAYAHRQHT-SSDOTTSWSA-N -1 1 253.258 1.614 20 5 CDBDMM C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CC1 ZINC000590759831 342591044 /nfs/dbraw/zinc/59/10/44/342591044.db2.gz JVHCUTFIRDXZTB-SSDOTTSWSA-N -1 1 271.298 1.067 20 5 CDBDMM CN(Cc1cnc[nH]1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000595590756 343094956 /nfs/dbraw/zinc/09/49/56/343094956.db2.gz BHSWFVGNDWBULD-UHFFFAOYSA-N -1 1 262.269 1.656 20 5 CDBDMM COC(=O)c1cc([N-]C(=O)c2cnco2)cc([N+](=O)[O-])c1 ZINC000611151028 346624661 /nfs/dbraw/zinc/62/46/61/346624661.db2.gz HEDGDLDENNZTTN-UHFFFAOYSA-N -1 1 291.219 1.622 20 5 CDBDMM Cc1cc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)n[nH]1 ZINC000612545710 347205541 /nfs/dbraw/zinc/20/55/41/347205541.db2.gz SRENCCHFCGFQOI-UHFFFAOYSA-N -1 1 276.252 1.262 20 5 CDBDMM O=C(N[C@@H]1C[C@H]1C(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000360170187 356853311 /nfs/dbraw/zinc/85/33/11/356853311.db2.gz HRRCOUSQYLDRFL-IYSWYEEDSA-N -1 1 273.195 1.079 20 5 CDBDMM O=[N+]([O-])c1ccc(-c2nc([C@@H]3CCOC3)no2)[n-]1 ZINC000341433525 357269430 /nfs/dbraw/zinc/26/94/30/357269430.db2.gz JDEJHCDFABTCAJ-ZCFIWIBFSA-N -1 1 250.214 1.477 20 5 CDBDMM CC(C)=CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000190240246 535371236 /nfs/dbraw/zinc/37/12/36/535371236.db2.gz NZIXKFYEHXNLAV-UHFFFAOYSA-N -1 1 288.300 1.978 20 5 CDBDMM C[C@@H]1[C@@H](CO)CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000412099036 240002403 /nfs/dbraw/zinc/00/24/03/240002403.db2.gz VZGCUDKKUGRPPM-GHMZBOCLSA-N -1 1 280.324 1.893 20 5 CDBDMM CCC1([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000295252661 369748389 /nfs/dbraw/zinc/74/83/89/369748389.db2.gz KONCAHLYBLMTOV-UHFFFAOYSA-N -1 1 288.300 1.955 20 5 CDBDMM CC1(C)C[C@H]1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444987734 250202616 /nfs/dbraw/zinc/20/26/16/250202616.db2.gz DQGWDWMHQXTBJP-QMMMGPOBSA-N -1 1 265.269 1.471 20 5 CDBDMM C[C@]1(F)CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000445131421 392720491 /nfs/dbraw/zinc/72/04/91/392720491.db2.gz DOQNAWGADMSLMD-NSHDSACASA-N -1 1 269.232 1.270 20 5 CDBDMM O=C(CCc1cnc[nH]1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000189354480 140114244 /nfs/dbraw/zinc/11/42/44/140114244.db2.gz GIAPFUUPAODONF-UHFFFAOYSA-N -1 1 276.252 1.595 20 5 CDBDMM CC(C)(CCc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)[N+](=O)[O-] ZINC000291098898 527064463 /nfs/dbraw/zinc/06/44/63/527064463.db2.gz QWECONAZHUNAQU-UHFFFAOYSA-N -1 1 295.255 1.961 20 5 CDBDMM CC(=O)[C@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769048802 576322802 /nfs/dbraw/zinc/32/28/02/576322802.db2.gz RVPJTTNXYVOQSX-ZETCQYMHSA-N -1 1 253.210 1.435 20 5 CDBDMM COC[C@H](C)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000826150159 607448534 /nfs/dbraw/zinc/44/85/34/607448534.db2.gz XZQVRFUPZBFNQF-ZETCQYMHSA-N -1 1 278.272 1.222 20 5 CDBDMM COC[C@H](C)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000826150159 607448536 /nfs/dbraw/zinc/44/85/36/607448536.db2.gz XZQVRFUPZBFNQF-ZETCQYMHSA-N -1 1 278.272 1.222 20 5 CDBDMM CC(C)c1[nH]nc(C(=O)N(CC(=O)[O-])C2CC2)c1[N+](=O)[O-] ZINC000827097164 604932526 /nfs/dbraw/zinc/93/25/26/604932526.db2.gz GIFPQJXEICPUQT-UHFFFAOYSA-N -1 1 296.283 1.131 20 5 CDBDMM O=[N+]([O-])c1cc(NC[C@H]2CCCO2)ccc1-c1nn[n-]n1 ZINC000823634499 606644286 /nfs/dbraw/zinc/64/42/86/606644286.db2.gz IFLQFVCAGRKIQG-SECBINFHSA-N -1 1 290.283 1.366 20 5 CDBDMM CC[C@H](C)CN(C)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820870197 606709286 /nfs/dbraw/zinc/70/92/86/606709286.db2.gz OWTKQFRPPFMBEI-QMMMGPOBSA-N -1 1 291.315 1.652 20 5 CDBDMM CC[C@H](C)CN(C)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820870197 606709288 /nfs/dbraw/zinc/70/92/88/606709288.db2.gz OWTKQFRPPFMBEI-QMMMGPOBSA-N -1 1 291.315 1.652 20 5 CDBDMM C[C@H](Cc1ccco1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000914867297 631589672 /nfs/dbraw/zinc/58/96/72/631589672.db2.gz VVDZFVRUVPHSID-MRVPVSSYSA-N -1 1 291.263 1.649 20 5 CDBDMM O=[N+]([O-])c1cc(S[C@@H]2CCOC2)ccc1-c1nnn[n-]1 ZINC001607080554 1164071788 /nfs/dbraw/zinc/07/17/88/1164071788.db2.gz WOQRYUOBMBGGRM-MRVPVSSYSA-N -1 1 293.308 1.656 20 5 CDBDMM O=[N+]([O-])c1cc(S[C@@H]2CCOC2)ccc1-c1nn[n-]n1 ZINC001607080554 1164071796 /nfs/dbraw/zinc/07/17/96/1164071796.db2.gz WOQRYUOBMBGGRM-MRVPVSSYSA-N -1 1 293.308 1.656 20 5 CDBDMM O=[N+]([O-])c1cccc(CNc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001607084519 1164075400 /nfs/dbraw/zinc/07/54/00/1164075400.db2.gz KBJZJKUXABBFLC-UHFFFAOYSA-N -1 1 297.278 1.204 20 5 CDBDMM O=[N+]([O-])c1cccc(CNc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001607084519 1164075407 /nfs/dbraw/zinc/07/54/07/1164075407.db2.gz KBJZJKUXABBFLC-UHFFFAOYSA-N -1 1 297.278 1.204 20 5 CDBDMM Cc1cc(N[C@@H](C)c2nnc[nH]2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607693936 1164271657 /nfs/dbraw/zinc/27/16/57/1164271657.db2.gz NAQDDIQEEXOAEM-ZETCQYMHSA-N -1 1 291.267 1.893 20 5 CDBDMM CCCCN(C)c1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001609209831 1164847735 /nfs/dbraw/zinc/84/77/35/1164847735.db2.gz FUZJZHPCYIZLBU-UHFFFAOYSA-N -1 1 291.315 1.593 20 5 CDBDMM 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Cc1cc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])n[nH]1 ZINC000610880225 346479938 /nfs/dbraw/zinc/47/99/38/346479938.db2.gz YTXJPKZTAVFBQM-UHFFFAOYSA-N -1 1 276.252 1.262 20 5 CDBDMM C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000092925869 351300952 /nfs/dbraw/zinc/30/09/52/351300952.db2.gz WTRFWWGMXBWDES-MWLCHTKSSA-N -1 1 264.281 1.890 20 5 CDBDMM CCc1nn(C)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000271538170 191200531 /nfs/dbraw/zinc/20/05/31/191200531.db2.gz VIYHUVDDJWIUMI-UHFFFAOYSA-N -1 1 263.257 1.471 20 5 CDBDMM CCN(CC)CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000092547415 358552948 /nfs/dbraw/zinc/55/29/48/358552948.db2.gz FOHCBQUEXMKZNW-UHFFFAOYSA-N -1 1 267.285 1.581 20 5 CDBDMM C[C@H](O)CC(C)(C)CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000176123456 358637959 /nfs/dbraw/zinc/63/79/59/358637959.db2.gz GIYMSCSOICGFPV-QMMMGPOBSA-N -1 1 297.311 1.222 20 5 CDBDMM Cn1ncc2c1nc(Oc1cccc([N+](=O)[O-])c1)[n-]c2=O ZINC000356509191 372912097 /nfs/dbraw/zinc/91/20/97/372912097.db2.gz TZHSCOBRJMBQPH-UHFFFAOYSA-N -1 1 287.235 1.769 20 5 CDBDMM O=C([N-]O[C@@H]1CCCCO1)Nc1ccncc1[N+](=O)[O-] ZINC000274822015 374683441 /nfs/dbraw/zinc/68/34/41/374683441.db2.gz KBWQYZSCBFZJDZ-SNVBAGLBSA-N -1 1 282.256 1.570 20 5 CDBDMM C[C@@H]1CN(C)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330447179 374855442 /nfs/dbraw/zinc/85/54/42/374855442.db2.gz YFAGOMOZUUPVBQ-SNVBAGLBSA-N -1 1 265.313 1.436 20 5 CDBDMM CC[C@@]1(C)CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000345162756 377309384 /nfs/dbraw/zinc/30/93/84/377309384.db2.gz KPPBJWUKLHUYIO-ZDUSSCGKSA-N -1 1 279.296 1.958 20 5 CDBDMM O=C(NCCc1cccs1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000028812868 378574407 /nfs/dbraw/zinc/57/44/07/378574407.db2.gz AMQMAFSRFFAHSF-UHFFFAOYSA-N -1 1 293.304 1.317 20 5 CDBDMM CC(C)=CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000191684195 130277115 /nfs/dbraw/zinc/27/71/15/130277115.db2.gz YCTKHWXDAZWGGV-UHFFFAOYSA-N -1 1 251.242 1.391 20 5 CDBDMM CCC[C@H]1CNCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000262024186 149003287 /nfs/dbraw/zinc/00/32/87/149003287.db2.gz ATLBNNKXMZUDLV-NSHDSACASA-N -1 1 293.323 1.515 20 5 CDBDMM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2nn[n-]n2)c1 ZINC000346320186 153139123 /nfs/dbraw/zinc/13/91/23/153139123.db2.gz FMZYGXVWJJKSKQ-UHFFFAOYSA-N -1 1 280.269 1.082 20 5 CDBDMM O=C(NCc1ccc(O)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000361913910 159016177 /nfs/dbraw/zinc/01/61/77/159016177.db2.gz ZQGCLLUWQGPFOO-UHFFFAOYSA-N -1 1 289.247 1.331 20 5 CDBDMM C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@H](C)O1 ZINC000245540810 280218880 /nfs/dbraw/zinc/21/88/80/280218880.db2.gz MZRDQFRREDTSLU-AYMMMOKOSA-N -1 1 295.295 1.381 20 5 CDBDMM CC/C=C\CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001590532973 1173455236 /nfs/dbraw/zinc/45/52/36/1173455236.db2.gz YTSNUFVULDQBBU-ARJAWSKDSA-N -1 1 275.272 1.548 20 5 CDBDMM CC/C=C\CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001590532973 1173455239 /nfs/dbraw/zinc/45/52/39/1173455239.db2.gz YTSNUFVULDQBBU-ARJAWSKDSA-N -1 1 275.272 1.548 20 5 CDBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cnc[nH]2)cc1[N+](=O)[O-] ZINC000582997860 325084772 /nfs/dbraw/zinc/08/47/72/325084772.db2.gz YCGUVCARINNPCT-UHFFFAOYSA-N -1 1 296.308 1.736 20 5 CDBDMM O=C(N[C@@H]1CCC[C@H]1F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000340831226 526910407 /nfs/dbraw/zinc/91/04/07/526910407.db2.gz SMYKJFHRLXWEBS-HTQZYQBOSA-N -1 1 269.232 1.316 20 5 CDBDMM CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@@H](O)C(C)C ZINC000412747186 535799633 /nfs/dbraw/zinc/79/96/33/535799633.db2.gz KJMZTIIYVJUBDQ-MNOVXSKESA-N -1 1 297.311 1.221 20 5 CDBDMM Cc1c(Oc2nccnc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000737220588 575902405 /nfs/dbraw/zinc/90/24/05/575902405.db2.gz ZQTJRVZRAMRESP-UHFFFAOYSA-N -1 1 299.250 1.666 20 5 CDBDMM CC(=O)[C@@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769048791 576322611 /nfs/dbraw/zinc/32/26/11/576322611.db2.gz RVPJTTNXYVOQSX-SSDOTTSWSA-N -1 1 253.210 1.435 20 5 CDBDMM O=C([O-])Cc1cccc(OC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000739888547 576394420 /nfs/dbraw/zinc/39/44/20/576394420.db2.gz OLWHHCIYRUWPJQ-UHFFFAOYSA-N -1 1 290.231 1.769 20 5 CDBDMM CS[C@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000743727393 576652546 /nfs/dbraw/zinc/65/25/46/576652546.db2.gz AWGQTRLCRXQJPF-APPZFPTMSA-N -1 1 297.336 1.709 20 5 CDBDMM C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C(=O)[O-] ZINC000313480382 601526593 /nfs/dbraw/zinc/52/65/93/601526593.db2.gz HANTVLIXMJWRDP-GZMMTYOYSA-N -1 1 282.271 1.886 20 5 CDBDMM C[C@H]1CCC[C@H]1Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820698449 606708296 /nfs/dbraw/zinc/70/82/96/606708296.db2.gz USCWTYGVZIZQKD-IONNQARKSA-N -1 1 289.299 1.770 20 5 CDBDMM C[C@H]1CCC[C@H]1Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820698449 606708297 /nfs/dbraw/zinc/70/82/97/606708297.db2.gz USCWTYGVZIZQKD-IONNQARKSA-N -1 1 289.299 1.770 20 5 CDBDMM Cc1cc(N2CCCC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605695114 1163644662 /nfs/dbraw/zinc/64/46/62/1163644662.db2.gz LTJAFCBJXPBXEW-UHFFFAOYSA-N -1 1 274.284 1.684 20 5 CDBDMM Cc1cc(N2CCCC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605695114 1163644668 /nfs/dbraw/zinc/64/46/68/1163644668.db2.gz LTJAFCBJXPBXEW-UHFFFAOYSA-N -1 1 274.284 1.684 20 5 CDBDMM O=[N+]([O-])c1c(NCc2cccnc2)cccc1-c1nnn[n-]1 ZINC001607078279 1164072218 /nfs/dbraw/zinc/07/22/18/1164072218.db2.gz SMUQJXAGALAZSP-UHFFFAOYSA-N -1 1 297.278 1.782 20 5 CDBDMM O=[N+]([O-])c1c(NCc2cccnc2)cccc1-c1nn[n-]n1 ZINC001607078279 1164072225 /nfs/dbraw/zinc/07/22/25/1164072225.db2.gz SMUQJXAGALAZSP-UHFFFAOYSA-N -1 1 297.278 1.782 20 5 CDBDMM O=[N+]([O-])c1ccc(Cl)cc1-n1cnc(-c2nn[n-]n2)n1 ZINC001609601747 1165000745 /nfs/dbraw/zinc/00/07/45/1165000745.db2.gz YEQIHULAISVXFK-UHFFFAOYSA-N -1 1 292.646 1.009 20 5 CDBDMM COc1cc([N+](=O)[O-])ccc1-n1[n-]c(C)c(F)c1=O ZINC000871949874 1165364271 /nfs/dbraw/zinc/36/42/71/1165364271.db2.gz PCKYMQBHXNWMTP-JTQLQIEISA-N -1 1 267.216 1.664 20 5 CDBDMM Cc1ccc2c(N)n(-c3ccc([O-])c([N+](=O)[O-])c3)nc2n1 ZINC001210393622 1167360767 /nfs/dbraw/zinc/36/07/67/1167360767.db2.gz WRGZIOOBSQPMTI-UHFFFAOYSA-N -1 1 285.263 1.925 20 5 CDBDMM CC[C@H](c1ccccc1)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001577057509 1171592654 /nfs/dbraw/zinc/59/26/54/1171592654.db2.gz GDZJFOSLNJVTQN-SNVBAGLBSA-N -1 1 299.294 1.971 20 5 CDBDMM CC[C@@H]1C[C@H]1Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590860364 1173530042 /nfs/dbraw/zinc/53/00/42/1173530042.db2.gz PBJPWNOREUAECV-GMSGAONNSA-N -1 1 274.284 1.985 20 5 CDBDMM Cc1cccc(C)c1Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001592223689 1173832766 /nfs/dbraw/zinc/83/27/66/1173832766.db2.gz PSCPZTMOEKRKKX-UHFFFAOYSA-N -1 1 299.294 1.637 20 5 CDBDMM O=[N+]([O-])c1c(N[C@@H]2CCSC2)cccc1-c1nnn[n-]1 ZINC001593464894 1174078271 /nfs/dbraw/zinc/07/82/71/1174078271.db2.gz AFUGSCNZCBECST-SSDOTTSWSA-N -1 1 292.324 1.692 20 5 CDBDMM O=[N+]([O-])c1c(N[C@@H]2CCSC2)cccc1-c1nn[n-]n1 ZINC001593464894 1174078275 /nfs/dbraw/zinc/07/82/75/1174078275.db2.gz AFUGSCNZCBECST-SSDOTTSWSA-N -1 1 292.324 1.692 20 5 CDBDMM O=[N+]([O-])c1cnn(-c2nc(-c3nn[n-]n3)c(Cl)s2)c1 ZINC001607085603 1164074410 /nfs/dbraw/zinc/07/44/10/1164074410.db2.gz HFGMGACVRYASGG-UHFFFAOYSA-N -1 1 298.675 1.071 20 5 CDBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2C[C@@H]3C[C@@H]3C2)c1 ZINC001608914165 1164683489 /nfs/dbraw/zinc/68/34/89/1164683489.db2.gz CUHLPGIOZKATOG-AOOOYVTPSA-N -1 1 262.265 1.745 20 5 CDBDMM C[C@@H]1C[C@H](O)CN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001609844577 1165109485 /nfs/dbraw/zinc/10/94/85/1165109485.db2.gz LODXGAKVVQMTDR-KCJUWKMLSA-N -1 1 280.280 1.248 20 5 CDBDMM Cc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)n(CCO)n1 ZINC001210393402 1167360292 /nfs/dbraw/zinc/36/02/92/1167360292.db2.gz SMQXKQSXNUCNMF-UHFFFAOYSA-N -1 1 278.268 1.541 20 5 CDBDMM Cc1cc(OS(=O)(=O)c2c[n-]cn2)ccc1[N+](=O)[O-] ZINC000121568105 896276439 /nfs/dbraw/zinc/27/64/39/896276439.db2.gz UYLLOPYHEYEQSN-UHFFFAOYSA-N -1 1 283.265 1.394 20 5 CDBDMM CC(=O)N1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229395955 908144209 /nfs/dbraw/zinc/14/42/09/908144209.db2.gz NXDJUUXGOGAIBK-SNVBAGLBSA-N -1 1 266.253 1.300 20 5 CDBDMM Cc1cccc([N+](=O)[O-])c1N1CCN(CC(=O)[O-])CC1 ZINC000132149697 930225282 /nfs/dbraw/zinc/22/52/82/930225282.db2.gz HMGBKIJDSFEDBJ-UHFFFAOYSA-N -1 1 279.296 1.110 20 5 CDBDMM Cc1nc([N-]C(=O)c2cc(F)c([N+](=O)[O-])cc2F)nn1C ZINC000817019655 930423114 /nfs/dbraw/zinc/42/31/14/930423114.db2.gz QUBVVRGLJICIPC-UHFFFAOYSA-N -1 1 297.221 1.562 20 5 CDBDMM NCc1nccnc1[N-]c1ncc(F)cc1[N+](=O)[O-] ZINC001160245581 931308654 /nfs/dbraw/zinc/30/86/54/931308654.db2.gz FQEHDLDSCOKCHR-UHFFFAOYSA-N -1 1 264.220 1.121 20 5 CDBDMM COC(=O)C1CCC(Oc2nc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC001228142843 942275357 /nfs/dbraw/zinc/27/53/57/942275357.db2.gz HRGDRPXFEKADDE-UHFFFAOYSA-N -1 1 297.267 1.201 20 5 CDBDMM COC(=O)[C@H]1C[C@H](Oc2cc([N+](=O)[O-])c(C)cc2[O-])C1 ZINC001229750717 942526688 /nfs/dbraw/zinc/52/66/88/942526688.db2.gz QMZWQHWBTPCCFQ-KYZUINATSA-N -1 1 281.264 1.939 20 5 CDBDMM Cc1cc([O-])c(OC2CN(C(=O)C(C)C)C2)cc1[N+](=O)[O-] ZINC001229754124 942527176 /nfs/dbraw/zinc/52/71/76/942527176.db2.gz MTXBTHQZMOFZDB-UHFFFAOYSA-N -1 1 294.307 1.854 20 5 CDBDMM O=C(Cn1cc([N+](=O)[O-])cn1)c1ccc([O-])cc1O ZINC001318995779 958334591 /nfs/dbraw/zinc/33/45/91/958334591.db2.gz ZTCUTZQBMIWYQW-UHFFFAOYSA-N -1 1 263.209 1.085 20 5 CDBDMM Cc1cc([N+](=O)[O-])ccc1-c1nc([C@@H](N)CC(=O)[O-])no1 ZINC001605223900 972972543 /nfs/dbraw/zinc/97/25/43/972972543.db2.gz JYGZDYJCSGGIHI-VIFPVBQESA-N -1 1 292.251 1.428 20 5 CDBDMM CCCN(C(=O)c1n[nH]c(CC)c1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC001605301665 1163517302 /nfs/dbraw/zinc/51/73/02/1163517302.db2.gz BVOAQEOJJKIPJG-ZETCQYMHSA-N -1 1 298.299 1.206 20 5 CDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@H]2CCC[C@H]21 ZINC000618394666 349453619 /nfs/dbraw/zinc/45/36/19/349453619.db2.gz QOJQNAGFUMWFBF-PSASIEDQSA-N -1 1 277.280 1.710 20 5 CDBDMM C[C@H]1SCC[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000592905328 342747544 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CCCC[C@H](COC)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000128430093 187369894 /nfs/dbraw/zinc/36/98/94/187369894.db2.gz UFGUZELSCNYDDZ-SECBINFHSA-N -1 1 297.311 1.630 20 5 CDBDMM CO[C@@H]([C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C1CC1 ZINC000412398793 240192869 /nfs/dbraw/zinc/19/28/69/240192869.db2.gz YKTJRFGJRVCYFN-HQJQHLMTSA-N -1 1 295.295 1.239 20 5 CDBDMM CO[C@H]([C@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C1CC1 ZINC000412398795 240193053 /nfs/dbraw/zinc/19/30/53/240193053.db2.gz YKTJRFGJRVCYFN-WRWORJQWSA-N -1 1 295.295 1.239 20 5 CDBDMM C[C@@H]1C[C@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@@H](C)O1 ZINC000412642336 240304704 /nfs/dbraw/zinc/30/47/04/240304704.db2.gz BAOKWRPFEMBDRX-IWSPIJDZSA-N -1 1 295.295 1.239 20 5 CDBDMM COc1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])[n-]2)cn1 ZINC000348727578 367722799 /nfs/dbraw/zinc/72/27/99/367722799.db2.gz HMNXAJRVPAKQEZ-UHFFFAOYSA-N -1 1 276.252 1.603 20 5 CDBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C1CC1 ZINC000170838368 369680104 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/nfs/dbraw/zinc/88/18/22/1173881822.db2.gz VXLUCISOLKBPQF-UHFFFAOYSA-N -1 1 299.250 1.666 20 5 CDBDMM O=[N+]([O-])c1cc(N[C@H]2CCCOC2)ccc1-c1nn[n-]n1 ZINC001593473508 1174082492 /nfs/dbraw/zinc/08/24/92/1174082492.db2.gz GHWXEGBVMAPLNN-VIFPVBQESA-N -1 1 290.283 1.366 20 5 CDBDMM O=[N+]([O-])c1ccccc1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001593485585 1174084593 /nfs/dbraw/zinc/08/45/93/1174084593.db2.gz RQELWONSMQOQLH-UHFFFAOYSA-N -1 1 298.266 1.177 20 5 CDBDMM O=[N+]([O-])c1ccccc1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001593485585 1174084599 /nfs/dbraw/zinc/08/45/99/1174084599.db2.gz RQELWONSMQOQLH-UHFFFAOYSA-N -1 1 298.266 1.177 20 5 CDBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@H]1C=CCC1 ZINC001593488631 1174084717 /nfs/dbraw/zinc/08/47/17/1174084717.db2.gz JMRUYIFAHAHMGY-LURJTMIESA-N -1 1 278.297 1.967 20 5 CDBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@H]1C=CCC1 ZINC001593488631 1174084721 /nfs/dbraw/zinc/08/47/21/1174084721.db2.gz JMRUYIFAHAHMGY-LURJTMIESA-N -1 1 278.297 1.967 20 5 CDBDMM Cc1noc(CN2CC[C@H](C(=O)[O-])[C@H]2C)c1[N+](=O)[O-] ZINC001600812300 1174624675 /nfs/dbraw/zinc/62/46/75/1174624675.db2.gz FYGPYNFXPXHUOB-SFYZADRCSA-N -1 1 269.257 1.186 20 5 CDBDMM O=C([O-])c1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])s1 ZINC001602343250 1175215049 /nfs/dbraw/zinc/21/50/49/1175215049.db2.gz OVOSFSVVJSUVQJ-UHFFFAOYSA-N -1 1 296.264 1.008 20 5 CDBDMM C[C@H]1C[C@H]1CNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001603872427 1175664463 /nfs/dbraw/zinc/66/44/63/1175664463.db2.gz RLZWQQLJWHDIIH-BQBZGAKWSA-N -1 1 289.299 1.425 20 5 CDBDMM C[C@H]1C[C@H]1CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001603872427 1175664470 /nfs/dbraw/zinc/66/44/70/1175664470.db2.gz RLZWQQLJWHDIIH-BQBZGAKWSA-N -1 1 289.299 1.425 20 5 CDBDMM CCC(CC)Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001604025941 1175724488 /nfs/dbraw/zinc/72/44/88/1175724488.db2.gz VATCXLHAFPSOFC-UHFFFAOYSA-N -1 1 265.277 1.408 20 5 CDBDMM Cc1csc(C(=O)[O-])c1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001607922974 1164340897 /nfs/dbraw/zinc/34/08/97/1164340897.db2.gz GZQHIIPUMXLQNK-PHDIDXHHSA-N -1 1 270.266 1.358 20 5 CDBDMM Cc1nn(CN2CC[C@H](C(=O)[O-])[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC001608011591 1164374824 /nfs/dbraw/zinc/37/48/24/1164374824.db2.gz OJCUYEBGHOLPDY-WPRPVWTQSA-N -1 1 282.300 1.161 20 5 CDBDMM C[C@H]1C[C@H](O)CN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001609844578 1165109658 /nfs/dbraw/zinc/10/96/58/1165109658.db2.gz LODXGAKVVQMTDR-KWQFWETISA-N -1 1 280.280 1.248 20 5 CDBDMM O=C([O-])C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(F)cc1 ZINC001610752624 1165427541 /nfs/dbraw/zinc/42/75/41/1165427541.db2.gz IMFKBHQQBWOESQ-OUAUKWLOSA-N -1 1 296.254 1.123 20 5 CDBDMM Cc1nonc1[N-]C(=O)c1csc([N+](=O)[O-])c1 ZINC000076279039 814591007 /nfs/dbraw/zinc/59/10/07/814591007.db2.gz FXCUZXYIDFRLEL-UHFFFAOYSA-N -1 1 254.227 1.600 20 5 CDBDMM CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C(C)(C)CO ZINC001606147674 1167898814 /nfs/dbraw/zinc/89/88/14/1167898814.db2.gz NKHHEXYWHRFOMM-UHFFFAOYSA-N -1 1 282.296 1.496 20 5 CDBDMM Cc1ccc(OS(=O)(=O)c2c[n-]cn2)c([N+](=O)[O-])c1 ZINC000121568266 896279996 /nfs/dbraw/zinc/27/99/96/896279996.db2.gz ZOMMAXWKZPGYAI-UHFFFAOYSA-N -1 1 283.265 1.394 20 5 CDBDMM C[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CCN1C ZINC000815078388 929934652 /nfs/dbraw/zinc/93/46/52/929934652.db2.gz BGOWCFJCCHDAHW-SNVBAGLBSA-N -1 1 265.313 1.436 20 5 CDBDMM CC1(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)COC1 ZINC000780077237 936022662 /nfs/dbraw/zinc/02/26/62/936022662.db2.gz VUWXZYDEUNUSDS-UHFFFAOYSA-N -1 1 267.237 1.494 20 5 CDBDMM O=C(NN1C[C@H]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001161918051 938942931 /nfs/dbraw/zinc/94/29/31/938942931.db2.gz GGMMLHGDBVDUOO-RKDXNWHRSA-N -1 1 292.295 1.072 20 5 CDBDMM O=C(NN1C[C@@H]2CCC[C@H]2C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001161918050 938942935 /nfs/dbraw/zinc/94/29/35/938942935.db2.gz GGMMLHGDBVDUOO-IUCAKERBSA-N -1 1 292.295 1.072 20 5 CDBDMM Cc1cc([O-])c([N+](=O)[O-])c(OC[C@H]2C[C@H](O)C2)n1 ZINC001218431559 941217404 /nfs/dbraw/zinc/21/74/04/941217404.db2.gz WLYYWMAXNLMHDX-ZKCHVHJHSA-N -1 1 254.242 1.154 20 5 CDBDMM C[C@@H](COc1ccccc1)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228144192 942276529 /nfs/dbraw/zinc/27/65/29/942276529.db2.gz SSVDRFZUNMRWNS-VIFPVBQESA-N -1 1 291.263 1.937 20 5 CDBDMM Cc1cc([O-])c(O[C@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC001229749491 942525195 /nfs/dbraw/zinc/52/51/95/942525195.db2.gz BJEPITGZJBZVCT-LLVKDONJSA-N -1 1 296.323 1.708 20 5 CDBDMM O=C([O-])[C@H](C(=O)OCc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC001594838739 954056622 /nfs/dbraw/zinc/05/66/22/954056622.db2.gz XDEQVRIKBNAOFL-LLVKDONJSA-N -1 1 295.247 1.454 20 5 CDBDMM O=C(Nc1ccc[nH]c1=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001306455244 956317643 /nfs/dbraw/zinc/31/76/43/956317643.db2.gz WMAHRAZYPXFSGN-UHFFFAOYSA-N -1 1 276.208 1.048 20 5 CDBDMM O=C([O-])c1cnc(N[C@@H]2CN3CCC2CC3)c([N+](=O)[O-])c1 ZINC000162342629 959210809 /nfs/dbraw/zinc/21/08/09/959210809.db2.gz XRNSIKCADRBHIV-SNVBAGLBSA-N -1 1 292.295 1.194 20 5 CDBDMM Cc1ccc(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)o1 ZINC000031421104 398218459 /nfs/dbraw/zinc/21/84/59/398218459.db2.gz GCQLNAABGSKPIE-UHFFFAOYSA-N -1 1 291.263 1.157 20 5 CDBDMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000590565387 342575976 /nfs/dbraw/zinc/57/59/76/342575976.db2.gz MLSKEMQAGVWMEX-UHFFFAOYSA-N -1 1 276.252 1.893 20 5 CDBDMM CO[C@H]1CCCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593734404 342830594 /nfs/dbraw/zinc/83/05/94/342830594.db2.gz HIUXWUKJDXVJAS-LBPRGKRZSA-N -1 1 294.307 1.904 20 5 CDBDMM CC(C)(C(=O)Nc1nnn[n-]1)c1ccc([N+](=O)[O-])cc1F ZINC000273937438 192370061 /nfs/dbraw/zinc/37/00/61/192370061.db2.gz JJXPOVLRWNNDOS-UHFFFAOYSA-N -1 1 294.246 1.163 20 5 CDBDMM CC(C)(C(=O)Nc1nn[n-]n1)c1ccc([N+](=O)[O-])cc1F ZINC000273937438 192370063 /nfs/dbraw/zinc/37/00/63/192370063.db2.gz JJXPOVLRWNNDOS-UHFFFAOYSA-N -1 1 294.246 1.163 20 5 CDBDMM O=C([O-])C[C@@H]1CSCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000091131064 349387301 /nfs/dbraw/zinc/38/73/01/349387301.db2.gz AJWJQIGRONXRAJ-GFCCVEGCSA-N -1 1 296.348 1.987 20 5 CDBDMM COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000092924429 351300544 /nfs/dbraw/zinc/30/05/44/351300544.db2.gz WVEZNDCJKLZNFL-BXKDBHETSA-N -1 1 294.307 1.898 20 5 CDBDMM O=C(N[C@H]1CC=CCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000172372925 295843843 /nfs/dbraw/zinc/84/38/43/295843843.db2.gz QHUSWVQTAZBXAP-QMMMGPOBSA-N -1 1 263.253 1.534 20 5 CDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000155175276 188188796 /nfs/dbraw/zinc/18/87/96/188188796.db2.gz DMANBPGLOPMHMN-IUCAKERBSA-N -1 1 277.280 1.568 20 5 CDBDMM O=C(NCCN1CC=CCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000280206585 363436221 /nfs/dbraw/zinc/43/62/21/363436221.db2.gz KFGACRUJXQHJPT-UHFFFAOYSA-N -1 1 291.307 1.292 20 5 CDBDMM COc1cc(C[N@H+]2CC[C@H](C(=O)[O-])[C@H]2C)ccc1[N+](=O)[O-] ZINC000566366532 357492571 /nfs/dbraw/zinc/49/25/71/357492571.db2.gz DYHCXVKMWMFHDV-KOLCDFICSA-N -1 1 294.307 1.898 20 5 CDBDMM CC(C)(C)C[C@@H](CO)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185877728 357588658 /nfs/dbraw/zinc/58/86/58/357588658.db2.gz CBUBQUKLANFKTR-VIFPVBQESA-N -1 1 297.311 1.222 20 5 CDBDMM C[C@@H]1[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCN1C ZINC000408085694 357818345 /nfs/dbraw/zinc/81/83/45/357818345.db2.gz BZRBKCMUQPQJSH-NXEZZACHSA-N -1 1 293.323 1.465 20 5 CDBDMM C[C@@H]1COCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000290379582 366479978 /nfs/dbraw/zinc/47/99/78/366479978.db2.gz HKBRBYDLNASWGG-BDAKNGLRSA-N -1 1 295.295 1.098 20 5 CDBDMM COc1cc(S(=O)(=O)[N-]c2cnc[nH]2)ccc1[N+](=O)[O-] ZINC000582333287 364085347 /nfs/dbraw/zinc/08/53/47/364085347.db2.gz GRWZHPBACJANKK-UHFFFAOYSA-N -1 1 298.280 1.127 20 5 CDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@H]1CCO ZINC000294200273 375736789 /nfs/dbraw/zinc/73/67/89/375736789.db2.gz BRPLHHHWOUCCAW-JTQLQIEISA-N -1 1 295.295 1.073 20 5 CDBDMM C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000288634804 197132695 /nfs/dbraw/zinc/13/26/95/197132695.db2.gz OIZHJEXPCHAXJV-ZCFIWIBFSA-N -1 1 298.242 1.824 20 5 CDBDMM CS[C@@H](C)CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000189913136 130039004 /nfs/dbraw/zinc/03/90/04/130039004.db2.gz USNOABCBOHDXQR-LURJTMIESA-N -1 1 271.298 1.177 20 5 CDBDMM COCCc1ccnc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000341889276 130113951 /nfs/dbraw/zinc/11/39/51/130113951.db2.gz MWDFRGZWLUZFKN-UHFFFAOYSA-N -1 1 290.279 1.759 20 5 CDBDMM Cc1nc([C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2[O-])n[nH]1 ZINC000286363572 392017259 /nfs/dbraw/zinc/01/72/59/392017259.db2.gz MDPGRDUJTIVNDO-ZCFIWIBFSA-N -1 1 291.267 1.218 20 5 CDBDMM CC[C@H](C)CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000422130578 392953890 /nfs/dbraw/zinc/95/38/90/392953890.db2.gz GPZRRPXZKKQJKX-ZETCQYMHSA-N -1 1 253.258 1.471 20 5 CDBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cnccn3)no2)[n-]1 ZINC000355807004 157246256 /nfs/dbraw/zinc/24/62/56/157246256.db2.gz GEDDLGNAYJQYRH-UHFFFAOYSA-N -1 1 258.197 1.430 20 5 CDBDMM C[S@](=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000361866243 159003998 /nfs/dbraw/zinc/00/39/98/159003998.db2.gz FXMTXOLIFFVZHO-FQEVSTJZSA-N -1 1 293.304 1.913 20 5 CDBDMM C[C@@H]1C[C@@H](C)N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000445004530 288484820 /nfs/dbraw/zinc/48/48/20/288484820.db2.gz HZUCXSHWYOLQGC-HTQZYQBOSA-N -1 1 265.269 1.566 20 5 CDBDMM C[C@@H](CCCO)Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001589821703 1173188531 /nfs/dbraw/zinc/18/85/31/1173188531.db2.gz XGVGJVBXLYMDPY-QMMMGPOBSA-N -1 1 292.299 1.348 20 5 CDBDMM C[C@@H](CCCO)Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001589821703 1173188538 /nfs/dbraw/zinc/18/85/38/1173188538.db2.gz XGVGJVBXLYMDPY-QMMMGPOBSA-N -1 1 292.299 1.348 20 5 CDBDMM CSCCN(C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000153233732 289161635 /nfs/dbraw/zinc/16/16/35/289161635.db2.gz IMYGVPGPEFXSQF-UHFFFAOYSA-N -1 1 271.298 1.130 20 5 CDBDMM CCc1nnc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)[nH]1 ZINC000754846225 576918663 /nfs/dbraw/zinc/91/86/63/576918663.db2.gz OIGCGQNSLWEWCH-UHFFFAOYSA-N -1 1 292.251 1.338 20 5 CDBDMM CCc1nc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n[nH]1 ZINC000754846225 576918666 /nfs/dbraw/zinc/91/86/66/576918666.db2.gz OIGCGQNSLWEWCH-UHFFFAOYSA-N -1 1 292.251 1.338 20 5 CDBDMM C[C@H](O)[C@H](C)Sc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820467389 606713686 /nfs/dbraw/zinc/71/36/86/606713686.db2.gz GFBMUQUWCUFZEM-WDSKDSINSA-N -1 1 296.312 1.031 20 5 CDBDMM C[C@H](O)[C@H](C)Sc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820467389 606713688 /nfs/dbraw/zinc/71/36/88/606713688.db2.gz GFBMUQUWCUFZEM-WDSKDSINSA-N -1 1 296.312 1.031 20 5 CDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(C)C)cc1F ZINC000866382066 621550239 /nfs/dbraw/zinc/55/02/39/621550239.db2.gz NOQCGMVOKRLLMK-UHFFFAOYSA-N -1 1 290.316 1.977 20 5 CDBDMM O=[N+]([O-])c1cc(N2CCC[C@H](F)C2)ccc1-c1nn[n-]n1 ZINC001609601056 1164999137 /nfs/dbraw/zinc/99/91/37/1164999137.db2.gz OXGKUAWKNLEVIP-QMMMGPOBSA-N -1 1 292.274 1.713 20 5 CDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1C[C@H]2C[C@H]2C1 ZINC001609599467 1164999251 /nfs/dbraw/zinc/99/92/51/1164999251.db2.gz FCZIYKKCHGNPBA-RNLVFQAGSA-N -1 1 287.283 1.380 20 5 CDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1C[C@H]2C[C@H]2C1 ZINC001609599467 1164999258 /nfs/dbraw/zinc/99/92/58/1164999258.db2.gz FCZIYKKCHGNPBA-RNLVFQAGSA-N -1 1 287.283 1.380 20 5 CDBDMM C[C@H](O)[C@H](C)Sc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001589994080 1173223287 /nfs/dbraw/zinc/22/32/87/1173223287.db2.gz DFXNWOOFEXEWPN-BQBZGAKWSA-N -1 1 295.324 1.636 20 5 CDBDMM C[C@H](O)[C@H](C)Sc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001589994080 1173223292 /nfs/dbraw/zinc/22/32/92/1173223292.db2.gz DFXNWOOFEXEWPN-BQBZGAKWSA-N -1 1 295.324 1.636 20 5 CDBDMM C[C@H]1CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC001590312840 1173348054 /nfs/dbraw/zinc/34/80/54/1173348054.db2.gz KULYHSYUZVRFMG-IUCAKERBSA-N -1 1 288.311 1.867 20 5 CDBDMM CN(c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC001591154807 1173586274 /nfs/dbraw/zinc/58/62/74/1173586274.db2.gz LCNRTFAOVLJTRZ-ZCFIWIBFSA-N -1 1 296.312 1.062 20 5 CDBDMM CN(c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC001591154807 1173586282 /nfs/dbraw/zinc/58/62/82/1173586282.db2.gz LCNRTFAOVLJTRZ-ZCFIWIBFSA-N -1 1 296.312 1.062 20 5 CDBDMM O=[N+]([O-])c1cccc(CNc2cccnc2-c2nnn[n-]2)c1 ZINC001593484299 1174084203 /nfs/dbraw/zinc/08/42/03/1174084203.db2.gz UGEHXEUIPUWZOU-UHFFFAOYSA-N -1 1 297.278 1.782 20 5 CDBDMM O=[N+]([O-])c1cccc(CNc2cccnc2-c2nn[n-]n2)c1 ZINC001593484299 1174084209 /nfs/dbraw/zinc/08/42/09/1174084209.db2.gz UGEHXEUIPUWZOU-UHFFFAOYSA-N -1 1 297.278 1.782 20 5 CDBDMM C[C@@H]1CCN1c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001603910466 1175683014 /nfs/dbraw/zinc/68/30/14/1175683014.db2.gz OSOBADFWDPWZFQ-SSDOTTSWSA-N -1 1 260.257 1.374 20 5 CDBDMM C[C@@H]1CCN1c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001603910466 1175683017 /nfs/dbraw/zinc/68/30/17/1175683017.db2.gz OSOBADFWDPWZFQ-SSDOTTSWSA-N -1 1 260.257 1.374 20 5 CDBDMM C[C@@H]1OCC[C@H]1COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000869441267 1165065123 /nfs/dbraw/zinc/06/51/23/1165065123.db2.gz WLOIZQITSQBADB-IUCAKERBSA-N -1 1 281.264 1.882 20 5 CDBDMM COCCCO[N-]C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000805038318 818504026 /nfs/dbraw/zinc/50/40/26/818504026.db2.gz AZHHVVVQPXIJCP-SNVBAGLBSA-N -1 1 282.296 1.783 20 5 CDBDMM O=C(OC[C@@H]1CCOC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780070424 820803595 /nfs/dbraw/zinc/80/35/95/820803595.db2.gz XPKBFLUNPXYJEI-MRVPVSSYSA-N -1 1 267.237 1.494 20 5 CDBDMM O=C([O-])C1(COC(=O)c2ccc([N+](=O)[O-])[nH]2)CCC1 ZINC001609022589 1167937861 /nfs/dbraw/zinc/93/78/61/1167937861.db2.gz ACVOZKATBVBZDK-UHFFFAOYSA-N -1 1 268.225 1.335 20 5 CDBDMM CO[C@H](C)CO[C@H](C)COc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225664923 903635045 /nfs/dbraw/zinc/63/50/45/903635045.db2.gz ULQHEEYQTRZYHB-RKDXNWHRSA-N -1 1 286.284 1.514 20 5 CDBDMM Nc1cccc(-c2nnn(-c3cc([O-])cc([N+](=O)[O-])c3)n2)c1 ZINC001201221939 926234575 /nfs/dbraw/zinc/23/45/75/926234575.db2.gz GBFNANVOOCMJSC-UHFFFAOYSA-N -1 1 298.262 1.525 20 5 CDBDMM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2cccnc2[N+](=O)[O-])C1 ZINC001119540887 937730387 /nfs/dbraw/zinc/73/03/87/937730387.db2.gz KYRQEEPLQLYDJD-GXSJLCMTSA-N -1 1 279.296 1.532 20 5 CDBDMM O=C(OC[C@H]1CCOC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780070426 936011201 /nfs/dbraw/zinc/01/12/01/936011201.db2.gz XPKBFLUNPXYJEI-QMMMGPOBSA-N -1 1 267.237 1.494 20 5 CDBDMM Nc1cc[nH]c(=O)c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210395876 940688086 /nfs/dbraw/zinc/68/80/86/940688086.db2.gz GVCPPIDSWGVBRT-UHFFFAOYSA-N -1 1 262.225 1.727 20 5 CDBDMM O=C1OCCC[C@H]1Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229395124 942463221 /nfs/dbraw/zinc/46/32/21/942463221.db2.gz FKHHURHGQJCCRG-SECBINFHSA-N -1 1 253.210 1.385 20 5 CDBDMM COCC(COC)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229397547 942464860 /nfs/dbraw/zinc/46/48/60/942464860.db2.gz JRQYRRARDMWUTJ-UHFFFAOYSA-N -1 1 257.242 1.341 20 5 CDBDMM O=C1OCC[C@@H]1Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233498230 943602020 /nfs/dbraw/zinc/60/20/20/943602020.db2.gz KQRULCOSBUDKLQ-VIFPVBQESA-N -1 1 297.654 1.819 20 5 CDBDMM C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001594166676 998633844 /nfs/dbraw/zinc/63/38/44/998633844.db2.gz ABISLSJLIQKBLS-KWQFWETISA-N -1 1 280.280 1.595 20 5 CDBDMM CC(C)OCCO[N-]C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000812806158 1163734802 /nfs/dbraw/zinc/73/48/02/1163734802.db2.gz QUFWNUAOIKSGHE-UHFFFAOYSA-N -1 1 282.296 1.610 20 5 CDBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@@H]1CCOC1 ZINC001593487226 1174085491 /nfs/dbraw/zinc/08/54/91/1174085491.db2.gz ABSPAZRZKVSYQV-RXMQYKEDSA-N -1 1 282.285 1.037 20 5 CDBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@@H]1CCOC1 ZINC001593487226 1174085497 /nfs/dbraw/zinc/08/54/97/1174085497.db2.gz ABSPAZRZKVSYQV-RXMQYKEDSA-N -1 1 282.285 1.037 20 5 CDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]2C[C@H]21 ZINC000586891741 342473376 /nfs/dbraw/zinc/47/33/76/342473376.db2.gz RFKAGFNDYOEHAM-IONNQARKSA-N -1 1 263.253 1.320 20 5 CDBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CCC1 ZINC000618385339 349451785 /nfs/dbraw/zinc/45/17/85/349451785.db2.gz ZNLZIQUJSGCYLA-ZETCQYMHSA-N -1 1 265.269 1.614 20 5 CDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H](C2CCC2)C1 ZINC000591126693 342619076 /nfs/dbraw/zinc/61/90/76/342619076.db2.gz KTWVPCPYQVHEAH-SNVBAGLBSA-N -1 1 291.307 1.958 20 5 CDBDMM CC[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CC1 ZINC000594858865 342964738 /nfs/dbraw/zinc/96/47/38/342964738.db2.gz YYZXQUUMTPCBSO-VIFPVBQESA-N -1 1 285.325 1.457 20 5 CDBDMM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@H]1C ZINC000267869414 363066790 /nfs/dbraw/zinc/06/67/90/363066790.db2.gz UEWTZDUHINGJRO-OCAPTIKFSA-N -1 1 265.269 1.423 20 5 CDBDMM O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccncc1[O-] ZINC000109890981 358476234 /nfs/dbraw/zinc/47/62/34/358476234.db2.gz ZQMAHQJGDXWFFD-UHFFFAOYSA-N -1 1 289.247 1.713 20 5 CDBDMM CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1nn[n-]n1 ZINC000136624102 363259020 /nfs/dbraw/zinc/25/90/20/363259020.db2.gz MATWCGSBOJEBMG-LURJTMIESA-N -1 1 296.312 1.441 20 5 CDBDMM CCC(CC)[C@@H](O)CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187087201 357726423 /nfs/dbraw/zinc/72/64/23/357726423.db2.gz WTTDOOWCCLJJLW-NSHDSACASA-N -1 1 297.311 1.222 20 5 CDBDMM CC1(C)CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCS1 ZINC000187174957 357737330 /nfs/dbraw/zinc/73/73/30/357737330.db2.gz YGMCUAOTJOHBAB-UHFFFAOYSA-N -1 1 297.336 1.663 20 5 CDBDMM Cn1nc2c(c1NC(=O)c1ccc([N+](=O)[O-])[n-]1)CCC2 ZINC000299293998 370810722 /nfs/dbraw/zinc/81/07/22/370810722.db2.gz LRVKZTMLFMDSOR-UHFFFAOYSA-N -1 1 275.268 1.397 20 5 CDBDMM CC[C@H]1CO[C@@H](C)CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000276570399 193385011 /nfs/dbraw/zinc/38/50/11/193385011.db2.gz VNHBWKMRUDJNDA-WPRPVWTQSA-N -1 1 295.295 1.335 20 5 CDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@H]1CF ZINC000295541703 370469402 /nfs/dbraw/zinc/46/94/02/370469402.db2.gz IBQBPRBWUGQNOL-SSDOTTSWSA-N -1 1 269.232 1.270 20 5 CDBDMM O=C(NCc1ccsc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000193223184 373677439 /nfs/dbraw/zinc/67/74/39/373677439.db2.gz DOMMNXRNCIVNMF-UHFFFAOYSA-N -1 1 279.277 1.687 20 5 CDBDMM CCCNC(=O)Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000277838770 374818853 /nfs/dbraw/zinc/81/88/53/374818853.db2.gz FOQSNTVXLYIHJD-UHFFFAOYSA-N -1 1 279.256 1.042 20 5 CDBDMM C[C@H]1C[C@@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCO1 ZINC000278059505 374829992 /nfs/dbraw/zinc/82/99/92/374829992.db2.gz MWWXTIWDXTUOGF-IUCAKERBSA-N -1 1 295.295 1.240 20 5 CDBDMM CSCCO[N-]C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000279849779 374967826 /nfs/dbraw/zinc/96/78/26/374967826.db2.gz CFQROQQSOINNOL-UHFFFAOYSA-N -1 1 270.310 1.548 20 5 CDBDMM Cc1cc2[nH]ncc2cc1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000302733747 375244595 /nfs/dbraw/zinc/24/45/95/375244595.db2.gz VLQPJBUEIWQFRL-UHFFFAOYSA-N -1 1 285.267 1.895 20 5 CDBDMM O=C(NCc1ccc(F)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000015583965 392052625 /nfs/dbraw/zinc/05/26/25/392052625.db2.gz QGWIBPGETPMGDJ-UHFFFAOYSA-N -1 1 291.238 1.765 20 5 CDBDMM CN(CC(C)(C)C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000263802544 131334832 /nfs/dbraw/zinc/33/48/32/131334832.db2.gz UANPIKKCBCLLCJ-UHFFFAOYSA-N -1 1 267.285 1.814 20 5 CDBDMM O=C(NCc1ncccc1F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000526023343 392946219 /nfs/dbraw/zinc/94/62/19/392946219.db2.gz HYRIDTXVIWERKC-UHFFFAOYSA-N -1 1 292.226 1.160 20 5 CDBDMM C[C@@H]1CC[C@@H](N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000430464022 393099452 /nfs/dbraw/zinc/09/94/52/393099452.db2.gz UFBCKOFILNNWBA-PSASIEDQSA-N -1 1 279.296 1.956 20 5 CDBDMM O=C(NCc1cccnc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186767525 140069254 /nfs/dbraw/zinc/06/92/54/140069254.db2.gz JJHMUGJLQYUXDU-UHFFFAOYSA-N -1 1 274.236 1.020 20 5 CDBDMM CC(C)CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CC1 ZINC000187192077 140076520 /nfs/dbraw/zinc/07/65/20/140076520.db2.gz JGIXGEUBUZLSPL-UHFFFAOYSA-N -1 1 279.296 1.956 20 5 CDBDMM C[C@H](F)CCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001589912004 1173202896 /nfs/dbraw/zinc/20/28/96/1173202896.db2.gz UEDJLSPJWGTNTP-ZETCQYMHSA-N -1 1 280.263 1.935 20 5 CDBDMM CC(F)(F)CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000569075894 294150642 /nfs/dbraw/zinc/15/06/42/294150642.db2.gz ZUNHYOKTXSWZAN-UHFFFAOYSA-N -1 1 261.184 1.080 20 5 CDBDMM CCCN(C)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590619853 1173478556 /nfs/dbraw/zinc/47/85/56/1173478556.db2.gz JFZCXXUTVYMUGY-UHFFFAOYSA-N -1 1 262.273 1.621 20 5 CDBDMM CCCN(C)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590619853 1173478559 /nfs/dbraw/zinc/47/85/59/1173478559.db2.gz JFZCXXUTVYMUGY-UHFFFAOYSA-N -1 1 262.273 1.621 20 5 CDBDMM CC(C)c1[nH]nc(C(=O)N2CCC[C@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC000817982740 604837499 /nfs/dbraw/zinc/83/74/99/604837499.db2.gz HIRZQVSFAVZYLD-ZETCQYMHSA-N -1 1 296.283 1.131 20 5 CDBDMM O=[N+]([O-])c1ccccc1Oc1ccc(-c2nnn[n-]2)nn1 ZINC000826500626 608389446 /nfs/dbraw/zinc/38/94/46/608389446.db2.gz FXARLCQSIWEMOS-UHFFFAOYSA-N -1 1 285.223 1.357 20 5 CDBDMM O=[N+]([O-])c1ccccc1Oc1ccc(-c2nn[n-]n2)nn1 ZINC000826500626 608389447 /nfs/dbraw/zinc/38/94/47/608389447.db2.gz FXARLCQSIWEMOS-UHFFFAOYSA-N -1 1 285.223 1.357 20 5 CDBDMM Cc1nn(CN(CCC(=O)[O-])C(C)C)cc1[N+](=O)[O-] ZINC001608011671 1164374129 /nfs/dbraw/zinc/37/41/29/1164374129.db2.gz PKMFGRKZXNHXOV-UHFFFAOYSA-N -1 1 270.289 1.242 20 5 CDBDMM CO[C@@H](C)CCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609308967 1164890159 /nfs/dbraw/zinc/89/01/59/1164890159.db2.gz TZSVSZGWVLWOAR-QMMMGPOBSA-N -1 1 292.299 1.612 20 5 CDBDMM O=[N+]([O-])c1ccc(Oc2cc(-c3nnn[n-]3)ncn2)cc1 ZINC001609602560 1165000140 /nfs/dbraw/zinc/00/01/40/1165000140.db2.gz UZXWUCZJARHXQU-UHFFFAOYSA-N -1 1 285.223 1.357 20 5 CDBDMM O=[N+]([O-])c1ccc(Oc2cc(-c3nn[n-]n3)ncn2)cc1 ZINC001609602560 1165000147 /nfs/dbraw/zinc/00/01/47/1165000147.db2.gz UZXWUCZJARHXQU-UHFFFAOYSA-N -1 1 285.223 1.357 20 5 CDBDMM C[C@H]1CCN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590276475 1173335093 /nfs/dbraw/zinc/33/50/93/1173335093.db2.gz LNUOWXPVCKEMFE-ZETCQYMHSA-N -1 1 260.257 1.374 20 5 CDBDMM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C[C@H]1C ZINC001590312841 1173348772 /nfs/dbraw/zinc/34/87/72/1173348772.db2.gz KULYHSYUZVRFMG-RKDXNWHRSA-N -1 1 288.311 1.867 20 5 CDBDMM O=[N+]([O-])c1c(NC[C@H]2CCCO2)cccc1-c1nnn[n-]1 ZINC001593468216 1174079709 /nfs/dbraw/zinc/07/97/09/1174079709.db2.gz AASSJTFDZBBJFW-MRVPVSSYSA-N -1 1 290.283 1.366 20 5 CDBDMM O=[N+]([O-])c1c(NC[C@H]2CCCO2)cccc1-c1nn[n-]n1 ZINC001593468216 1174079713 /nfs/dbraw/zinc/07/97/13/1174079713.db2.gz AASSJTFDZBBJFW-MRVPVSSYSA-N -1 1 290.283 1.366 20 5 CDBDMM CC[C@@H](C)CON=c1[n-]cc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001604003807 1175716620 /nfs/dbraw/zinc/71/66/20/1175716620.db2.gz KLEGJYALDNFCAW-SSDOTTSWSA-N -1 1 293.287 1.560 20 5 CDBDMM O=C([O-])CC1(CNC(=O)c2n[nH]cc2[N+](=O)[O-])CCCC1 ZINC001608680350 1164601235 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BTZOCMSNGHBOPL-UHFFFAOYSA-N -1 1 291.307 1.958 20 5 CDBDMM O=C(NOCCC(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278979021 194238819 /nfs/dbraw/zinc/23/88/19/194238819.db2.gz CLXMPLSYBKEFFZ-UHFFFAOYSA-N -1 1 295.173 1.309 20 5 CDBDMM CC[C@](C)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)OC ZINC000452737239 252157628 /nfs/dbraw/zinc/15/76/28/252157628.db2.gz HRIMLKBGUHEHOZ-GFCCVEGCSA-N -1 1 283.284 1.240 20 5 CDBDMM COC(=O)c1c[n-]c(SCc2c([N+](=O)[O-])ncn2C)n1 ZINC000432670685 390485317 /nfs/dbraw/zinc/48/53/17/390485317.db2.gz SRKXRBOQYULBIP-UHFFFAOYSA-N -1 1 297.296 1.130 20 5 CDBDMM C[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000547310750 391444802 /nfs/dbraw/zinc/44/48/02/391444802.db2.gz CPXNAVXJMYLSRB-NXEZZACHSA-N -1 1 299.352 1.704 20 5 CDBDMM C[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000445004921 392717416 /nfs/dbraw/zinc/71/74/16/392717416.db2.gz AQHRNVZUUKABMB-QMMMGPOBSA-N -1 1 279.296 1.956 20 5 CDBDMM CN(Cc1ccncc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186861194 140070189 /nfs/dbraw/zinc/07/01/89/140070189.db2.gz FPULCJDNPPMOPD-UHFFFAOYSA-N -1 1 288.263 1.363 20 5 CDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](F)C2)s1 ZINC000344920414 152686613 /nfs/dbraw/zinc/68/66/13/152686613.db2.gz SSKQYKQOLSZFNL-BQBZGAKWSA-N -1 1 294.329 1.825 20 5 CDBDMM COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](C(=O)[O-])C1 ZINC000035297226 172111226 /nfs/dbraw/zinc/11/12/26/172111226.db2.gz RDFWZYMXHRHNFB-SNVBAGLBSA-N -1 1 294.307 1.900 20 5 CDBDMM C[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@@H]1C ZINC000331988093 288055380 /nfs/dbraw/zinc/05/53/80/288055380.db2.gz PAXOXJRIUYGCLR-RNFRBKRXSA-N -1 1 251.242 1.176 20 5 CDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1Cc2ccccc2C1 ZINC000187562271 280227823 /nfs/dbraw/zinc/22/78/23/280227823.db2.gz KCHLHDMVPZKUCG-UHFFFAOYSA-N -1 1 285.259 1.851 20 5 CDBDMM C[C@H](CCC1CC1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000545267078 289673874 /nfs/dbraw/zinc/67/38/74/289673874.db2.gz WFZNMRBBDKFGBQ-SECBINFHSA-N -1 1 299.352 1.847 20 5 CDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1ccco1 ZINC000547304823 289763014 /nfs/dbraw/zinc/76/30/14/289763014.db2.gz RFTDOBLYNWIWIU-UHFFFAOYSA-N -1 1 297.292 1.104 20 5 CDBDMM COc1ccc([N+](=O)[O-])cc1CN(C)[C@@H](C)CC(=O)[O-] ZINC000568414570 294035482 /nfs/dbraw/zinc/03/54/82/294035482.db2.gz OPVORQMHMLWNCC-VIFPVBQESA-N -1 1 282.296 1.898 20 5 CDBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cnc4cnccn43)no2)[n-]1 ZINC000350856551 316213285 /nfs/dbraw/zinc/21/32/85/316213285.db2.gz PJWHFSMGJDTNRU-UHFFFAOYSA-N -1 1 297.234 1.683 20 5 CDBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1c[nH]cn1 ZINC000580151001 324378772 /nfs/dbraw/zinc/37/87/72/324378772.db2.gz LHVPAYZRKSJADT-UHFFFAOYSA-N -1 1 296.308 1.302 20 5 CDBDMM Cc1nc([C@@H](C)Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])n[nH]1 ZINC001600792331 1174612180 /nfs/dbraw/zinc/61/21/80/1174612180.db2.gz KNBIYAKQQFPQTM-ZCFIWIBFSA-N -1 1 291.267 1.893 20 5 CDBDMM O=C(NCCC1CCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770613788 575498550 /nfs/dbraw/zinc/49/85/50/575498550.db2.gz ZIGIDDSADPWAIL-UHFFFAOYSA-N -1 1 265.269 1.615 20 5 CDBDMM CC[C@H](C)[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000820449218 597660867 /nfs/dbraw/zinc/66/08/67/597660867.db2.gz QYVRWTYJWNTYKV-CPCISQLKSA-N -1 1 296.279 1.530 20 5 CDBDMM CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C(=O)[O-])C1 ZINC000818244788 601304266 /nfs/dbraw/zinc/30/42/66/601304266.db2.gz QESVGOSJCZKLEH-SNVBAGLBSA-N -1 1 294.307 1.900 20 5 CDBDMM C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000251790560 601519753 /nfs/dbraw/zinc/51/97/53/601519753.db2.gz NKHYWWQMJCJMDL-IONNQARKSA-N -1 1 270.310 1.809 20 5 CDBDMM C[C@@H](CCO)Sc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820248356 606712795 /nfs/dbraw/zinc/71/27/95/606712795.db2.gz GCDAMDLBIGUTKN-LURJTMIESA-N -1 1 296.312 1.033 20 5 CDBDMM C[C@@H](CCO)Sc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820248356 606712796 /nfs/dbraw/zinc/71/27/96/606712796.db2.gz GCDAMDLBIGUTKN-LURJTMIESA-N -1 1 296.312 1.033 20 5 CDBDMM CCC[C@@H]1C[C@@H]1Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821040381 606713259 /nfs/dbraw/zinc/71/32/59/606713259.db2.gz KZYIICGVFFMIDI-APPZFPTMSA-N -1 1 289.299 1.770 20 5 CDBDMM CCC[C@@H]1C[C@@H]1Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821040381 606713260 /nfs/dbraw/zinc/71/32/60/606713260.db2.gz KZYIICGVFFMIDI-APPZFPTMSA-N -1 1 289.299 1.770 20 5 CDBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C(CF)CF ZINC000885416604 678011639 /nfs/dbraw/zinc/01/16/39/678011639.db2.gz IHFCTKXRUULUAY-UHFFFAOYSA-N -1 1 280.252 1.181 20 5 CDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2C=CCC2)s1 ZINC000882561434 678648076 /nfs/dbraw/zinc/64/80/76/678648076.db2.gz SFZXYEYWAIAKGL-MRVPVSSYSA-N -1 1 288.350 1.901 20 5 CDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1Cc2ccncc2C1 ZINC000816582541 679026579 /nfs/dbraw/zinc/02/65/79/679026579.db2.gz JYKBTBUFKAWSIW-UHFFFAOYSA-N -1 1 286.247 1.246 20 5 CDBDMM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)c1cn[n-]n1 ZINC000805604906 679029390 /nfs/dbraw/zinc/02/93/90/679029390.db2.gz CGZKEVDZILUXLQ-MRVPVSSYSA-N -1 1 276.252 1.939 20 5 CDBDMM Cn1cnc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)n1 ZINC000812856894 679218234 /nfs/dbraw/zinc/21/82/34/679218234.db2.gz YTUQNMBIPBBKLK-UHFFFAOYSA-N -1 1 283.194 1.254 20 5 CDBDMM CCCN(C)c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001604199962 1163123378 /nfs/dbraw/zinc/12/33/78/1163123378.db2.gz RRXCRXUCAGLSKH-UHFFFAOYSA-N -1 1 262.273 1.621 20 5 CDBDMM CCCN(C)c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001604199962 1163123383 /nfs/dbraw/zinc/12/33/83/1163123383.db2.gz RRXCRXUCAGLSKH-UHFFFAOYSA-N -1 1 262.273 1.621 20 5 CDBDMM C[C@H](C[C@H](C)O)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609128594 1164783740 /nfs/dbraw/zinc/78/37/40/1164783740.db2.gz QBAJSEGFEQXLLZ-SFYZADRCSA-N -1 1 292.299 1.346 20 5 CDBDMM Nc1cc(NC2CCCC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609511085 1164980815 /nfs/dbraw/zinc/98/08/15/1164980815.db2.gz WSHFLORYDRURNZ-UHFFFAOYSA-N -1 1 289.299 1.712 20 5 CDBDMM Nc1cc(NC2CCCC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609511085 1164980818 /nfs/dbraw/zinc/98/08/18/1164980818.db2.gz WSHFLORYDRURNZ-UHFFFAOYSA-N -1 1 289.299 1.712 20 5 CDBDMM C[C@H]1CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@H]1C ZINC001590317192 1173352014 /nfs/dbraw/zinc/35/20/14/1173352014.db2.gz YXKZXTLDNAJHMD-DTORHVGOSA-N -1 1 288.311 1.867 20 5 CDBDMM C[C@H]1CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@H]1C ZINC001590317192 1173352018 /nfs/dbraw/zinc/35/20/18/1173352018.db2.gz YXKZXTLDNAJHMD-DTORHVGOSA-N -1 1 288.311 1.867 20 5 CDBDMM CN(c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])[C@H]1CCOC1 ZINC001591154806 1173585661 /nfs/dbraw/zinc/58/56/61/1173585661.db2.gz LCNRTFAOVLJTRZ-LURJTMIESA-N -1 1 296.312 1.062 20 5 CDBDMM CN(c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])[C@H]1CCOC1 ZINC001591154806 1173585664 /nfs/dbraw/zinc/58/56/64/1173585664.db2.gz LCNRTFAOVLJTRZ-LURJTMIESA-N -1 1 296.312 1.062 20 5 CDBDMM Cc1nn(Cc2ccc(-c3nnn[n-]3)o2)c(C)c1[N+](=O)[O-] ZINC001592437701 1173887063 /nfs/dbraw/zinc/88/70/63/1173887063.db2.gz HUHUMPMMCHHPJN-UHFFFAOYSA-N -1 1 289.255 1.230 20 5 CDBDMM Cc1nn(Cc2ccc(-c3nn[n-]n3)o2)c(C)c1[N+](=O)[O-] ZINC001592437701 1173887066 /nfs/dbraw/zinc/88/70/66/1173887066.db2.gz HUHUMPMMCHHPJN-UHFFFAOYSA-N -1 1 289.255 1.230 20 5 CDBDMM O=[N+]([O-])c1ccccc1Oc1cncc(-c2nnn[n-]2)n1 ZINC001593487517 1174085197 /nfs/dbraw/zinc/08/51/97/1174085197.db2.gz ZHEFSNFFTSELAB-UHFFFAOYSA-N -1 1 285.223 1.357 20 5 CDBDMM O=[N+]([O-])c1ccccc1Oc1cncc(-c2nn[n-]n2)n1 ZINC001593487517 1174085204 /nfs/dbraw/zinc/08/52/04/1174085204.db2.gz ZHEFSNFFTSELAB-UHFFFAOYSA-N -1 1 285.223 1.357 20 5 CDBDMM Cc1noc(CN2[C@@H](C)CC(C(=O)[O-])C[C@@H]2C)c1[N+](=O)[O-] ZINC001608027821 1164383087 /nfs/dbraw/zinc/38/30/87/1164383087.db2.gz HWMBMCLGXKFMBV-YUMQZZPRSA-N -1 1 297.311 1.965 20 5 CDBDMM COCCSc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609329860 1164904306 /nfs/dbraw/zinc/90/43/06/1164904306.db2.gz GDLAMARXAQPWSO-UHFFFAOYSA-N -1 1 281.297 1.513 20 5 CDBDMM COCCSc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609329860 1164904313 /nfs/dbraw/zinc/90/43/13/1164904313.db2.gz GDLAMARXAQPWSO-UHFFFAOYSA-N -1 1 281.297 1.513 20 5 CDBDMM CSC[C@@H](C)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001609370776 1164913256 /nfs/dbraw/zinc/91/32/56/1164913256.db2.gz WEPOUGKILOWNKL-SSDOTTSWSA-N -1 1 294.340 1.938 20 5 CDBDMM CSC[C@@H](C)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001609370776 1164913264 /nfs/dbraw/zinc/91/32/64/1164913264.db2.gz WEPOUGKILOWNKL-SSDOTTSWSA-N -1 1 294.340 1.938 20 5 CDBDMM O=[N+]([O-])C[C@H](OCCCC[P@@](=O)([O-])O)C1CC1 ZINC001225019670 911596069 /nfs/dbraw/zinc/59/60/69/911596069.db2.gz ZQKRXISEBDXZKE-VIFPVBQESA-N -1 1 267.218 1.016 20 5 CDBDMM Nc1[nH]c(=S)[n-]c(=O)c1Nc1cccc([N+](=O)[O-])c1 ZINC001204439586 939765012 /nfs/dbraw/zinc/76/50/12/939765012.db2.gz HSIWPCHRLVXDTO-UHFFFAOYSA-N -1 1 279.281 1.705 20 5 CDBDMM O=c1cc[n-]c(O[C@H]2CCCC3(C2)OCCO3)c1[N+](=O)[O-] ZINC001225663652 941895750 /nfs/dbraw/zinc/89/57/50/941895750.db2.gz 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CDBDMM CC1(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000820623719 606714722 /nfs/dbraw/zinc/71/47/22/606714722.db2.gz WXCWGJMGWIJRHH-UHFFFAOYSA-N -1 1 275.272 1.382 20 5 CDBDMM CC1(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000820623719 606714723 /nfs/dbraw/zinc/71/47/23/606714723.db2.gz WXCWGJMGWIJRHH-UHFFFAOYSA-N -1 1 275.272 1.382 20 5 CDBDMM CC(C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000226387612 692536957 /nfs/dbraw/zinc/53/69/57/692536957.db2.gz SZZUCSLCHUIOSU-UHFFFAOYSA-N -1 1 262.262 1.421 20 5 CDBDMM O=C(OCC(=O)C(F)F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000800185145 692583643 /nfs/dbraw/zinc/58/36/43/692583643.db2.gz BLJAOZQROFSIRH-UHFFFAOYSA-N -1 1 275.163 1.291 20 5 CDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@H](CF)C1 ZINC000881592363 692843501 /nfs/dbraw/zinc/84/35/01/692843501.db2.gz IKZHIVQHJSUGGQ-MRVPVSSYSA-N -1 1 283.259 1.517 20 5 CDBDMM O=C(Nn1cnc2ccccc21)c1ccc([N+](=O)[O-])[n-]1 ZINC000918005225 693376008 /nfs/dbraw/zinc/37/60/08/693376008.db2.gz 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ZINC001210392976 1167360487 /nfs/dbraw/zinc/36/04/87/1167360487.db2.gz QTTVWQZBTXABSC-UHFFFAOYSA-N -1 1 262.225 1.843 20 5 CDBDMM COc1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)nn1 ZINC001210393269 1167360677 /nfs/dbraw/zinc/36/06/77/1167360677.db2.gz XAYQWRCOFCEWFZ-UHFFFAOYSA-N -1 1 262.225 1.843 20 5 CDBDMM O=[N+]([O-])c1ccc(CNc2cncc(-c3nnn[n-]3)n2)cc1 ZINC001582804204 1172691965 /nfs/dbraw/zinc/69/19/65/1172691965.db2.gz NIJKMKLODCZEOI-UHFFFAOYSA-N -1 1 298.266 1.177 20 5 CDBDMM O=[N+]([O-])c1ccc(CNc2cncc(-c3nn[n-]n3)n2)cc1 ZINC001582804204 1172691969 /nfs/dbraw/zinc/69/19/69/1172691969.db2.gz NIJKMKLODCZEOI-UHFFFAOYSA-N -1 1 298.266 1.177 20 5 CDBDMM O=[N+]([O-])c1cn(CCC(F)(F)Cl)nc1-c1nn[n-]n1 ZINC001593486657 1174084173 /nfs/dbraw/zinc/08/41/73/1174084173.db2.gz FDOHKQRKOMOSOR-UHFFFAOYSA-N -1 1 293.621 1.193 20 5 CDBDMM C[C@H](C(=O)[O-])[C@H](NCC[N+](=O)[O-])c1ccccc1 ZINC001603192088 1175512489 /nfs/dbraw/zinc/51/24/89/1175512489.db2.gz XYUUTMVJSPUGSO-ONGXEEELSA-N -1 1 252.270 1.315 20 5 CDBDMM Nc1ccc2c(c1)c(=O)[nH]n2-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001201222482 926235805 /nfs/dbraw/zinc/23/58/05/926235805.db2.gz MZCHVGYIZBGYGH-UHFFFAOYSA-N -1 1 286.247 1.927 20 5 CDBDMM Cc1nc2c(ncnc2N)n1-c1ccc([O-])c([N+](=O)[O-])c1 ZINC001210395015 940688095 /nfs/dbraw/zinc/68/80/95/940688095.db2.gz MZOHJWVTULIUOL-UHFFFAOYSA-N -1 1 286.251 1.320 20 5 CDBDMM CCCCOC[C@@H](C)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228142249 942274920 /nfs/dbraw/zinc/27/49/20/942274920.db2.gz BYLPXCKIBNAIMR-MRVPVSSYSA-N -1 1 271.273 1.674 20 5 CDBDMM CCc1n[nH]c(NC(=O)c2cc(F)ccc2[N+](=O)[O-])n1 ZINC001325006847 953679595 /nfs/dbraw/zinc/67/95/95/953679595.db2.gz QCSCKZXKRVDRLW-UHFFFAOYSA-N -1 1 279.231 1.667 20 5 CDBDMM C[C@@H](CN(C)Cc1cccnc1[N+](=O)[O-])C(=O)[O-] ZINC001333163558 961661947 /nfs/dbraw/zinc/66/19/47/961661947.db2.gz RJRQTLFAMZINCL-QMMMGPOBSA-N -1 1 253.258 1.142 20 5 CDBDMM C[C@]1(C(=O)[O-])CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC001353936541 968355493 /nfs/dbraw/zinc/35/54/93/968355493.db2.gz VVMLKVLMLQUODZ-ZDUSSCGKSA-N -1 1 279.296 1.677 20 5 CDBDMM C[C@@](CO)(NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC001592750757 979315703 /nfs/dbraw/zinc/31/57/03/979315703.db2.gz PHHSDSMMCFMEDT-NSHDSACASA-N -1 1 288.687 1.173 20 5 CDBDMM CCc1[nH]nc(C(=O)N(C)C(C)(C)CC(=O)[O-])c1[N+](=O)[O-] ZINC001597400262 987661291 /nfs/dbraw/zinc/66/12/91/987661291.db2.gz XKILKPKHGGUKOZ-UHFFFAOYSA-N -1 1 298.299 1.206 20 5 CDBDMM NC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000340587998 361869385 /nfs/dbraw/zinc/86/93/85/361869385.db2.gz OZQDJAVEXKKMLK-UHFFFAOYSA-N -1 1 289.251 1.666 20 5 CDBDMM CSc1n[nH]c(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC000436957326 362150671 /nfs/dbraw/zinc/15/06/71/362150671.db2.gz UIGHKSGHHKEHQT-UHFFFAOYSA-N -1 1 295.280 1.393 20 5 CDBDMM C[C@H]1CCN(C)CCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436964052 362163594 /nfs/dbraw/zinc/16/35/94/362163594.db2.gz LIMFBPABJOYFBG-JTQLQIEISA-N -1 1 293.323 1.467 20 5 CDBDMM O=C(Nc1cc(C2CC2)[nH]n1)c1ccc([N+](=O)[O-])[n-]1 ZINC000597778636 343632556 /nfs/dbraw/zinc/63/25/56/343632556.db2.gz JGRXLNQZVYEWSU-UHFFFAOYSA-N -1 1 261.241 1.776 20 5 CDBDMM CC(C)([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CC1 ZINC000536552993 282322817 /nfs/dbraw/zinc/32/28/17/282322817.db2.gz VZUNPZGKVHHCEE-UHFFFAOYSA-N -1 1 285.325 1.457 20 5 CDBDMM Cc1sc(C(N)=O)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000610886634 346483105 /nfs/dbraw/zinc/48/31/05/346483105.db2.gz SPRZMQGIQJHFHO-UHFFFAOYSA-N -1 1 294.292 1.644 20 5 CDBDMM O=C(Nc1cnc2c(c1)COCC2)c1ccc([N+](=O)[O-])[n-]1 ZINC000611480164 346798062 /nfs/dbraw/zinc/79/80/62/346798062.db2.gz INIINUGNNKXOJJ-UHFFFAOYSA-N -1 1 288.263 1.643 20 5 CDBDMM CCOc1cc(NCc2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000111049064 350377512 /nfs/dbraw/zinc/37/75/12/350377512.db2.gz PKIFJXQRAGGDLG-UHFFFAOYSA-N -1 1 264.245 1.119 20 5 CDBDMM CCC1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000457277868 366084574 /nfs/dbraw/zinc/08/45/74/366084574.db2.gz NQVQAWULTBUHBS-UHFFFAOYSA-N -1 1 251.242 1.177 20 5 CDBDMM CN(C)c1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccn1 ZINC000360293697 356985923 /nfs/dbraw/zinc/98/59/23/356985923.db2.gz KLTNEIGIODTDQN-UHFFFAOYSA-N -1 1 275.268 1.636 20 5 CDBDMM C[C@H](O)C[C@@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185884125 357588719 /nfs/dbraw/zinc/58/87/19/357588719.db2.gz NUTKPXISBDGRLX-WPRPVWTQSA-N -1 1 295.295 1.071 20 5 CDBDMM CCC[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1nn[n-]n1 ZINC000177653236 189061782 /nfs/dbraw/zinc/06/17/82/189061782.db2.gz RJWXZURDEKJICS-SSDOTTSWSA-N -1 1 296.312 1.441 20 5 CDBDMM C[C@@H](CCC1CC1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000545267079 363773076 /nfs/dbraw/zinc/77/30/76/363773076.db2.gz WFZNMRBBDKFGBQ-VIFPVBQESA-N -1 1 299.352 1.847 20 5 CDBDMM Cc1nc(SCc2c([N+](=O)[O-])ncn2C)[n-]c(=O)c1C ZINC000346716556 370615372 /nfs/dbraw/zinc/61/53/72/370615372.db2.gz PHBVHFUTRWRSRC-UHFFFAOYSA-N -1 1 295.324 1.733 20 5 CDBDMM CCO[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000130948245 374266792 /nfs/dbraw/zinc/26/67/92/374266792.db2.gz ODTYZBYIXFWWJB-JTQLQIEISA-N -1 1 295.295 1.337 20 5 CDBDMM CC(C)CONC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000275082065 374689564 /nfs/dbraw/zinc/68/95/64/374689564.db2.gz FAZQSFORBLRBNH-UHFFFAOYSA-N -1 1 255.230 1.013 20 5 CDBDMM C[C@@H]1CCN(C)CCN1C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000352830294 375541694 /nfs/dbraw/zinc/54/16/94/375541694.db2.gz JHWXDCHPHVDRRX-SNVBAGLBSA-N -1 1 293.323 1.467 20 5 CDBDMM COCCn1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000263853508 190081740 /nfs/dbraw/zinc/08/17/40/190081740.db2.gz ZEWOYQVLERCLSJ-UHFFFAOYSA-N -1 1 279.256 1.018 20 5 CDBDMM COc1ccc(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])c([O-])c1 ZINC000442698697 392461134 /nfs/dbraw/zinc/46/11/34/392461134.db2.gz GVEMJTYMOMYJPN-UHFFFAOYSA-N -1 1 292.251 1.593 20 5 CDBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccn1 ZINC000187151810 140075090 /nfs/dbraw/zinc/07/50/90/140075090.db2.gz RSJNKSGKUSXILZ-MRVPVSSYSA-N -1 1 288.263 1.581 20 5 CDBDMM O=C(NC[C@H]1CCCS1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187181975 140076211 /nfs/dbraw/zinc/07/62/11/140076211.db2.gz WNVUIIOFKUBLJF-MRVPVSSYSA-N -1 1 283.309 1.321 20 5 CDBDMM O=C(Cc1ccccc1[N+](=O)[O-])[N-]OCC(F)F ZINC000759338875 574922143 /nfs/dbraw/zinc/92/21/43/574922143.db2.gz UFKPEPTUDVHIGD-UHFFFAOYSA-N -1 1 260.196 1.450 20 5 CDBDMM CN(C(=O)CNC(C)(C)C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000737322101 575940492 /nfs/dbraw/zinc/94/04/92/575940492.db2.gz LCZUHHOLKQURBE-UHFFFAOYSA-N -1 1 295.295 1.010 20 5 CDBDMM O=C([O-])C=Cc1ccc(NCc2c[nH]nn2)c([N+](=O)[O-])c1 ZINC000833198024 601444794 /nfs/dbraw/zinc/44/47/94/601444794.db2.gz VMNOLJDSFCVHNT-DUXPYHPUSA-N -1 1 289.251 1.423 20 5 CDBDMM Cc1nn(CN2C[C@H](C(=O)[O-])[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000833016771 601813752 /nfs/dbraw/zinc/81/37/52/601813752.db2.gz GRUXFRJUZBOKCL-XCBNKYQSSA-N -1 1 282.300 1.018 20 5 CDBDMM CC[C@@](C)(NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000828692819 604600029 /nfs/dbraw/zinc/60/00/29/604600029.db2.gz MWTCDPMWRFWWDY-GFCCVEGCSA-N -1 1 282.252 1.284 20 5 CDBDMM CC(C)c1[nH]nc(C(=O)N(C)C[C@H](C)C(=O)[O-])c1[N+](=O)[O-] ZINC000827443064 604899807 /nfs/dbraw/zinc/89/98/07/604899807.db2.gz XOTNUTFSSCTBOA-ZETCQYMHSA-N -1 1 298.299 1.234 20 5 CDBDMM CC(C)(CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000833459181 605717493 /nfs/dbraw/zinc/71/74/93/605717493.db2.gz IUIGTXSOLYGHEY-UHFFFAOYSA-N -1 1 282.252 1.141 20 5 CDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccncc1 ZINC000823625380 606787997 /nfs/dbraw/zinc/78/79/97/606787997.db2.gz TWIHQEKBMYFQPS-UHFFFAOYSA-N -1 1 298.266 1.177 20 5 CDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccncc1 ZINC000823625380 606787998 /nfs/dbraw/zinc/78/79/98/606787998.db2.gz TWIHQEKBMYFQPS-UHFFFAOYSA-N -1 1 298.266 1.177 20 5 CDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC=C(Cl)C1 ZINC000898190151 621385375 /nfs/dbraw/zinc/38/53/75/621385375.db2.gz OUDMGELHXVOHNI-UHFFFAOYSA-N -1 1 283.671 1.664 20 5 CDBDMM CC(C)N1CCO[C@@H](COC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000802141482 695841324 /nfs/dbraw/zinc/84/13/24/695841324.db2.gz RDZZPOADXXGNBB-SNVBAGLBSA-N -1 1 297.311 1.189 20 5 CDBDMM COC[C@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000784215411 695867991 /nfs/dbraw/zinc/86/79/91/695867991.db2.gz MYKNFBAVIICKDR-ZETCQYMHSA-N -1 1 255.226 1.492 20 5 CDBDMM CO[C@@]1(C)C[C@H]1Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001605152418 1163469078 /nfs/dbraw/zinc/46/90/78/1163469078.db2.gz HXEDPDSBKDQTAD-PWSUYJOCSA-N -1 1 290.283 1.364 20 5 CDBDMM Cc1ccc([N+](=O)[O-])c(Oc2nnccc2-c2nnn[n-]2)c1 ZINC001605884686 1163706373 /nfs/dbraw/zinc/70/63/73/1163706373.db2.gz VXJKLKZBZCMAQZ-UHFFFAOYSA-N -1 1 299.250 1.666 20 5 CDBDMM Cc1ccc([N+](=O)[O-])c(Oc2nnccc2-c2nn[n-]n2)c1 ZINC001605884686 1163706379 /nfs/dbraw/zinc/70/63/79/1163706379.db2.gz VXJKLKZBZCMAQZ-UHFFFAOYSA-N -1 1 299.250 1.666 20 5 CDBDMM CC1(C)CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001590105694 1173260541 /nfs/dbraw/zinc/26/05/41/1173260541.db2.gz IDRAENYQJJDXLX-UHFFFAOYSA-N -1 1 280.313 1.683 20 5 CDBDMM CC1(C)CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001590105694 1173260544 /nfs/dbraw/zinc/26/05/44/1173260544.db2.gz IDRAENYQJJDXLX-UHFFFAOYSA-N -1 1 280.313 1.683 20 5 CDBDMM CN(CCF)c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591091406 1173571038 /nfs/dbraw/zinc/57/10/38/1173571038.db2.gz WUFWMAMDNQXGJL-UHFFFAOYSA-N -1 1 266.236 1.181 20 5 CDBDMM CN(CCF)c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591091406 1173571045 /nfs/dbraw/zinc/57/10/45/1173571045.db2.gz WUFWMAMDNQXGJL-UHFFFAOYSA-N -1 1 266.236 1.181 20 5 CDBDMM O=[N+]([O-])c1cnc(S[C@H]2CCOC2)c(-c2nn[n-]n2)c1 ZINC001593488154 1174085752 /nfs/dbraw/zinc/08/57/52/1174085752.db2.gz ZLMVTESWOAZYBC-ZETCQYMHSA-N -1 1 294.296 1.051 20 5 CDBDMM O=C1[N-]C(=O)C(=Cc2csc([N+](=O)[O-])c2)S1 ZINC000874926911 725647038 /nfs/dbraw/zinc/64/70/38/725647038.db2.gz AYPBMPYCHXLHSH-ORCRQEGFSA-N -1 1 256.264 1.980 20 5 CDBDMM COC[C@](C)(NCc1csc([N+](=O)[O-])c1)C(=O)[O-] ZINC001610243648 1165269832 /nfs/dbraw/zinc/26/98/32/1165269832.db2.gz KLQRSLRRBOXEPL-JTQLQIEISA-N -1 1 274.298 1.236 20 5 CDBDMM Cc1[nH]ncc1CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001610549363 1165350933 /nfs/dbraw/zinc/35/09/33/1165350933.db2.gz HQQZGOGFLRPAQS-UHFFFAOYSA-N -1 1 276.252 1.937 20 5 CDBDMM CCOC(=O)c1cnc(N)n1-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001199801831 925868360 /nfs/dbraw/zinc/86/83/60/925868360.db2.gz KCPMUGGXEBENTK-UHFFFAOYSA-N -1 1 292.251 1.245 20 5 CDBDMM Nc1c2ncccc2nn1-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001199802599 925869071 /nfs/dbraw/zinc/86/90/71/925869071.db2.gz VUXMPRMIFDOARJ-UHFFFAOYSA-N -1 1 271.236 1.617 20 5 CDBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H](C)C(C)=O ZINC001226310052 941983482 /nfs/dbraw/zinc/98/34/82/941983482.db2.gz LPCFEKKUSZTFDT-ZETCQYMHSA-N -1 1 298.251 1.228 20 5 CDBDMM O=[N+]([O-])c1ccc([O-])c(OC2CCS(=O)(=O)CC2)c1 ZINC001229397914 942464828 /nfs/dbraw/zinc/46/48/28/942464828.db2.gz OGEMSDGRFHCYOO-UHFFFAOYSA-N -1 1 287.293 1.256 20 5 CDBDMM Cc1cc([O-])c(O[C@H]2CCCOC2=O)cc1[N+](=O)[O-] ZINC001229750303 942526962 /nfs/dbraw/zinc/52/69/62/942526962.db2.gz MGWLVXFCWKXMBV-JTQLQIEISA-N -1 1 267.237 1.693 20 5 CDBDMM O=C([O-])[C@@H](C1CC1)[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001352178937 967127026 /nfs/dbraw/zinc/12/70/26/967127026.db2.gz RUHOKXQSTWJYTQ-GFCCVEGCSA-N -1 1 262.265 1.774 20 5 CDBDMM O=C([O-])[C@@H](C1CC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001352178937 967127029 /nfs/dbraw/zinc/12/70/29/967127029.db2.gz RUHOKXQSTWJYTQ-GFCCVEGCSA-N -1 1 262.265 1.774 20 5 CDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCCC1 ZINC001593467066 1174079732 /nfs/dbraw/zinc/07/97/32/1174079732.db2.gz RFKIFTDWQAAVLP-UHFFFAOYSA-N -1 1 260.257 1.375 20 5 CDBDMM CC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CC1 ZINC000598234986 343738321 /nfs/dbraw/zinc/73/83/21/343738321.db2.gz UVBSWUDFMQFEGK-SECBINFHSA-N -1 1 265.269 1.614 20 5 CDBDMM CCCN(CC(C)(C)O)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 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Cc1cc(N2C[C@@H]3C[C@@H]3C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605691854 1163642926 /nfs/dbraw/zinc/64/29/26/1163642926.db2.gz MCNHJVCLRRENAX-DTORHVGOSA-N -1 1 286.295 1.539 20 5 CDBDMM Cc1cc(N2C[C@@H]3C[C@@H]3C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605691854 1163642928 /nfs/dbraw/zinc/64/29/28/1163642928.db2.gz MCNHJVCLRRENAX-DTORHVGOSA-N -1 1 286.295 1.539 20 5 CDBDMM Cc1ccc([N+](=O)[O-])cc1Oc1ncncc1-c1nnn[n-]1 ZINC001605884417 1163706576 /nfs/dbraw/zinc/70/65/76/1163706576.db2.gz DKLJSYDCGZAZHI-UHFFFAOYSA-N -1 1 299.250 1.666 20 5 CDBDMM Cc1ccc([N+](=O)[O-])cc1Oc1ncncc1-c1nn[n-]n1 ZINC001605884417 1163706581 /nfs/dbraw/zinc/70/65/81/1163706581.db2.gz DKLJSYDCGZAZHI-UHFFFAOYSA-N -1 1 299.250 1.666 20 5 CDBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CC[C@H](CF)C1 ZINC001607085585 1164074782 /nfs/dbraw/zinc/07/47/82/1164074782.db2.gz GPQQNDKHMZAQPY-ZCFIWIBFSA-N -1 1 298.303 1.632 20 5 CDBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CC[C@H](CF)C1 ZINC001607085585 1164074788 /nfs/dbraw/zinc/07/47/88/1164074788.db2.gz GPQQNDKHMZAQPY-ZCFIWIBFSA-N -1 1 298.303 1.632 20 5 CDBDMM Cc1c(C(=O)[O-])ccc(Cl)c1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001607518570 1164216041 /nfs/dbraw/zinc/21/60/41/1164216041.db2.gz LWYBRDYDBCWKQG-VXNVDRBHSA-N -1 1 298.682 1.950 20 5 CDBDMM C[C@@H](CO)[C@H](C)Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609114723 1164776878 /nfs/dbraw/zinc/77/68/78/1164776878.db2.gz SXCIKHVUCXWXAB-YUMQZZPRSA-N -1 1 292.299 1.204 20 5 CDBDMM C[C@@H](CO)[C@H](C)Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609114723 1164776884 /nfs/dbraw/zinc/77/68/84/1164776884.db2.gz SXCIKHVUCXWXAB-YUMQZZPRSA-N -1 1 292.299 1.204 20 5 CDBDMM COC(=O)c1nccnc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210392242 1167359596 /nfs/dbraw/zinc/35/95/96/1167359596.db2.gz AUEZTKJGPLHRIO-UHFFFAOYSA-N -1 1 290.235 1.621 20 5 CDBDMM CC(C)O[N-]C(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC001575798794 1171274202 /nfs/dbraw/zinc/27/42/02/1171274202.db2.gz KZIFIAUHTPSLMM-LBPRGKRZSA-N -1 1 267.285 1.225 20 5 CDBDMM CO[C@@H](C)CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591467269 1173656825 /nfs/dbraw/zinc/65/68/25/1173656825.db2.gz GIFXLIWDJJJBPH-ZETCQYMHSA-N -1 1 278.272 1.222 20 5 CDBDMM O=[N+]([O-])c1cc(N2CC[C@H]3C[C@H]3C2)ccc1-c1nn[n-]n1 ZINC001593470749 1174080380 /nfs/dbraw/zinc/08/03/80/1174080380.db2.gz IJBHKBDGYLZMAB-IUCAKERBSA-N -1 1 286.295 1.621 20 5 CDBDMM Cc1cc([C@@H](C)OC(=O)[C@@H]2CC2[N+](=O)[O-])oc1C(=O)[O-] ZINC001600140941 1174377923 /nfs/dbraw/zinc/37/79/23/1174377923.db2.gz WBUIUEAMNIAEHU-BWZBUEFSSA-N -1 1 283.236 1.556 20 5 CDBDMM Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H](CF)C(=O)[O-] ZINC001600487441 1174489230 /nfs/dbraw/zinc/48/92/30/1174489230.db2.gz WCKILESDURNFMS-JTQLQIEISA-N -1 1 270.260 1.724 20 5 CDBDMM Cc1nc([C@H](C)Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])n[nH]1 ZINC001600792344 1174611593 /nfs/dbraw/zinc/61/15/93/1174611593.db2.gz LIKYZSGTZUENPU-YFKPBYRVSA-N -1 1 292.255 1.288 20 5 CDBDMM CC(C)[C@@H](CO)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001603380101 1175549771 /nfs/dbraw/zinc/54/97/71/1175549771.db2.gz ISYDQIYEMODBKE-SNVBAGLBSA-N -1 1 292.299 1.204 20 5 CDBDMM CC(C)[C@@H](CO)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001603380101 1175549775 /nfs/dbraw/zinc/54/97/75/1175549775.db2.gz ISYDQIYEMODBKE-SNVBAGLBSA-N -1 1 292.299 1.204 20 5 CDBDMM CC[C@@](C)(O)CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001603987593 1175708953 /nfs/dbraw/zinc/70/89/53/1175708953.db2.gz RIRDDISYGLTKLH-GFCCVEGCSA-N -1 1 292.299 1.348 20 5 CDBDMM CC[C@@](C)(O)CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001603987593 1175708955 /nfs/dbraw/zinc/70/89/55/1175708955.db2.gz RIRDDISYGLTKLH-GFCCVEGCSA-N -1 1 292.299 1.348 20 5 CDBDMM Cc1nc([C@@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)no1 ZINC000811153946 730895547 /nfs/dbraw/zinc/89/55/47/730895547.db2.gz WODMOBJUPWAFSU-ZCFIWIBFSA-N -1 1 293.235 1.910 20 5 CDBDMM CC1=C(Oc2nc(C)cc([O-])c2[N+](=O)[O-])C(=O)O[C@H]1C ZINC001231262412 925687133 /nfs/dbraw/zinc/68/71/33/925687133.db2.gz FZJZLVNDQNOHCW-ZETCQYMHSA-N -1 1 280.236 1.602 20 5 CDBDMM Nc1ccccc1-c1nnn(-c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC001201222793 926235396 /nfs/dbraw/zinc/23/53/96/926235396.db2.gz RNUQVGCIZWAGID-UHFFFAOYSA-N -1 1 298.262 1.525 20 5 CDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1C=CCC1 ZINC000698260603 937291647 /nfs/dbraw/zinc/29/16/47/937291647.db2.gz HWJHJULUTWLOKE-MRVPVSSYSA-N -1 1 286.284 1.731 20 5 CDBDMM O=C(NCCCc1ccco1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001161689807 938921579 /nfs/dbraw/zinc/92/15/79/938921579.db2.gz UNJUSUIBXNZCLR-UHFFFAOYSA-N -1 1 291.263 1.651 20 5 CDBDMM O=Nc1c(=O)[n-]c(=S)[nH]c1Nc1ccc([N+](=O)[O-])nc1 ZINC001203568561 939693879 /nfs/dbraw/zinc/69/38/79/939693879.db2.gz DZIDSOPLSPOYLT-UHFFFAOYSA-N -1 1 294.252 1.916 20 5 CDBDMM Nc1ccc(Nc2c(N)[nH]c(=S)[n-]c2=O)cc1[N+](=O)[O-] ZINC001209934351 940652540 /nfs/dbraw/zinc/65/25/40/940652540.db2.gz HLMNMVKDINHFFR-UHFFFAOYSA-N -1 1 294.296 1.287 20 5 CDBDMM C[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])C1CCOCC1 ZINC001225660426 941894927 /nfs/dbraw/zinc/89/49/27/941894927.db2.gz DIMNIJCIKOAKIN-MRVPVSSYSA-N -1 1 268.269 1.889 20 5 CDBDMM CC[C@@H](CC(=O)OC)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225665706 941897469 /nfs/dbraw/zinc/89/74/69/941897469.db2.gz DLXTUPDEUBZNHM-ZETCQYMHSA-N -1 1 270.241 1.416 20 5 CDBDMM C[C@@H](COc1nc[n-]c(=O)c1[N+](=O)[O-])Oc1ccccc1 ZINC001228141363 942275187 /nfs/dbraw/zinc/27/51/87/942275187.db2.gz PUQBOKUDBONHRX-VIFPVBQESA-N -1 1 291.263 1.937 20 5 CDBDMM C[C@H](COc1ccccc1)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228144191 942275986 /nfs/dbraw/zinc/27/59/86/942275986.db2.gz SSVDRFZUNMRWNS-SECBINFHSA-N -1 1 291.263 1.937 20 5 CDBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2C=C(C)OC(=O)C2)n1 ZINC001231259072 942836939 /nfs/dbraw/zinc/83/69/39/942836939.db2.gz FCKIKLPOGFNEHU-MRVPVSSYSA-N -1 1 280.236 1.602 20 5 CDBDMM CCO[C@@H](C)COc1nc(C)cc([O-])c1[N+](=O)[O-] ZINC001231261312 942837679 /nfs/dbraw/zinc/83/76/79/942837679.db2.gz AOZXCBASRGLBDE-QMMMGPOBSA-N -1 1 256.258 1.808 20 5 CDBDMM COC(C[C@H](C)Oc1nc(C)cc([O-])c1[N+](=O)[O-])OC ZINC001231264460 942839332 /nfs/dbraw/zinc/83/93/32/942839332.db2.gz RAJWIWPZUMSZBC-QMMMGPOBSA-N -1 1 286.284 1.780 20 5 CDBDMM C[C@@H](O)CC(=O)Oc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233500882 943603589 /nfs/dbraw/zinc/60/35/89/943603589.db2.gz VPRCDURYXXGOMR-RXMQYKEDSA-N -1 1 299.670 1.801 20 5 CDBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CCC=C(F)C1 ZINC001593487566 1174085162 /nfs/dbraw/zinc/08/51/62/1174085162.db2.gz IESBWFJYDXKQGS-UHFFFAOYSA-N -1 1 296.287 1.900 20 5 CDBDMM Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)s1 ZINC000128314378 342522222 /nfs/dbraw/zinc/52/22/22/342522222.db2.gz DZQHVJCWEGGNBA-UHFFFAOYSA-N -1 1 293.304 1.995 20 5 CDBDMM CCN(CCSC)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000592951219 342749176 /nfs/dbraw/zinc/74/91/76/342749176.db2.gz HBBMXIIDTDBEQB-UHFFFAOYSA-N -1 1 285.325 1.521 20 5 CDBDMM O=C(c1cncc([O-])c1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000339951780 362207650 /nfs/dbraw/zinc/20/76/50/362207650.db2.gz OVEJCEAQHSGFLU-UHFFFAOYSA-N -1 1 285.259 1.898 20 5 CDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H]1CC=CCC1 ZINC000610261989 346234510 /nfs/dbraw/zinc/23/45/10/346234510.db2.gz JTNUGBBKHVLQJP-SNVBAGLBSA-N -1 1 297.336 1.624 20 5 CDBDMM COC[C@H](C)Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000351461807 346454846 /nfs/dbraw/zinc/45/48/46/346454846.db2.gz KXIHFGXZNPFUCL-SSDOTTSWSA-N -1 1 266.257 1.798 20 5 CDBDMM Cn1cc(Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cn1 ZINC000612912354 347323982 /nfs/dbraw/zinc/32/39/82/347323982.db2.gz OUAOJDZKBRNMKX-UHFFFAOYSA-N -1 1 274.240 1.297 20 5 CDBDMM C[C@@H]1C[C@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCO1 ZINC000271625625 191247758 /nfs/dbraw/zinc/24/77/58/191247758.db2.gz XRWGWDGOCURZCI-RKDXNWHRSA-N -1 1 295.295 1.240 20 5 CDBDMM Cn1ncc2c1nc(Oc1ccccc1[N+](=O)[O-])[n-]c2=O ZINC000356478496 282845505 /nfs/dbraw/zinc/84/55/05/282845505.db2.gz DPUYITDZQQOCJN-UHFFFAOYSA-N -1 1 287.235 1.769 20 5 CDBDMM CN(CC1CCCC1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187042591 357720429 /nfs/dbraw/zinc/72/04/29/357720429.db2.gz PNTGALDXXBEULN-UHFFFAOYSA-N -1 1 279.296 1.958 20 5 CDBDMM CCN(C[C@H](C)OC)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000361059017 357789151 /nfs/dbraw/zinc/78/91/51/357789151.db2.gz HHAJOYNECNZOCX-QMMMGPOBSA-N -1 1 283.284 1.192 20 5 CDBDMM C[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCS1 ZINC000188414629 357894175 /nfs/dbraw/zinc/89/41/75/357894175.db2.gz JDPSKEPFZWMYQD-SSDOTTSWSA-N -1 1 283.309 1.273 20 5 CDBDMM CCCCNC(=O)Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000264956155 358795484 /nfs/dbraw/zinc/79/54/84/358795484.db2.gz BJPNIDFUAPFMHA-UHFFFAOYSA-N -1 1 293.283 1.432 20 5 CDBDMM CC(C)O[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000412414421 240201405 /nfs/dbraw/zinc/20/14/05/240201405.db2.gz HWMGINQLZKHEPX-WAAGHKOSSA-N -1 1 295.295 1.381 20 5 CDBDMM CC1=C(C)CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000280293638 374990319 /nfs/dbraw/zinc/99/03/19/374990319.db2.gz UVGMXMBMKOARPS-UHFFFAOYSA-N -1 1 277.280 1.878 20 5 CDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCF)c(Cl)c1 ZINC000280794209 375024116 /nfs/dbraw/zinc/02/41/16/375024116.db2.gz QYTCNEOQVNLKGJ-UHFFFAOYSA-N -1 1 282.680 1.496 20 5 CDBDMM CC(C)[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCO1 ZINC000445147142 250208028 /nfs/dbraw/zinc/20/80/28/250208028.db2.gz CSBICZXGGBWTGS-LLVKDONJSA-N -1 1 295.295 1.192 20 5 CDBDMM O=C(Nc1cnc2n1CCCC2)c1ccc([N+](=O)[O-])[n-]1 ZINC000452762732 252164771 /nfs/dbraw/zinc/16/47/71/252164771.db2.gz YGTAJDQSYCUYHU-UHFFFAOYSA-N -1 1 275.268 1.708 20 5 CDBDMM CCc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])n[nH]1 ZINC000184658681 391636019 /nfs/dbraw/zinc/63/60/19/391636019.db2.gz FIBYHCNKZGLPKZ-UHFFFAOYSA-N -1 1 277.240 1.233 20 5 CDBDMM CCc1n[nH]c(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])n1 ZINC000184658681 391636023 /nfs/dbraw/zinc/63/60/23/391636023.db2.gz FIBYHCNKZGLPKZ-UHFFFAOYSA-N -1 1 277.240 1.233 20 5 CDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1C1CC1 ZINC000373105906 160173139 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O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC(F)F ZINC000173808574 379283015 /nfs/dbraw/zinc/28/30/15/379283015.db2.gz QNEZNDURZOAKAU-UHFFFAOYSA-N -1 1 266.225 1.138 20 5 CDBDMM O=C(Nc1cc(F)ccc1[O-])c1n[nH]cc1[N+](=O)[O-] ZINC000132127191 393211809 /nfs/dbraw/zinc/21/18/09/393211809.db2.gz PCGCDADRIODKKN-UHFFFAOYSA-N -1 1 266.188 1.415 20 5 CDBDMM O=C(NCc1cccc(F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186889457 140071689 /nfs/dbraw/zinc/07/16/89/140071689.db2.gz GCSZAUHFMPTSOK-UHFFFAOYSA-N -1 1 291.238 1.765 20 5 CDBDMM Cc1cnc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)nc1 ZINC000357179833 157683309 /nfs/dbraw/zinc/68/33/09/157683309.db2.gz AQOAMXOARDKGPN-UHFFFAOYSA-N -1 1 272.224 1.738 20 5 CDBDMM C[C@@H](O)CCN(C)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589999481 1173230260 /nfs/dbraw/zinc/23/02/60/1173230260.db2.gz SQPWRXUAICKISN-ZCFIWIBFSA-N -1 1 298.328 1.044 20 5 CDBDMM C[C@@H](O)CCN(C)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589999481 1173230264 /nfs/dbraw/zinc/23/02/64/1173230264.db2.gz 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/nfs/dbraw/zinc/55/35/06/926553506.db2.gz QQOJJZNEJRYBHM-UHFFFAOYSA-N -1 1 294.279 1.322 20 5 CDBDMM O=C([N-]N1CCCC1=O)c1cccc([N+](=O)[O-])c1Cl ZINC000860664196 929182326 /nfs/dbraw/zinc/18/23/26/929182326.db2.gz AMMSFLVOSVDFAP-UHFFFAOYSA-N -1 1 283.671 1.515 20 5 CDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H](CF)C1 ZINC000881599553 929874373 /nfs/dbraw/zinc/87/43/73/929874373.db2.gz BUNSNARNJKFDLC-MRVPVSSYSA-N -1 1 283.259 1.517 20 5 CDBDMM Cc1cnccc1-c1noc(-c2[n-]cnc2[N+](=O)[O-])n1 ZINC001212892961 934880065 /nfs/dbraw/zinc/88/00/65/934880065.db2.gz FYYVQQYCPUOZAI-UHFFFAOYSA-N -1 1 272.224 1.738 20 5 CDBDMM CC(=O)N1CCC[C@@H](Oc2cc([N+](=O)[O-])c(C)cc2[O-])C1 ZINC001229749537 942525265 /nfs/dbraw/zinc/52/52/65/942525265.db2.gz CRLDROBKHUDPMW-LLVKDONJSA-N -1 1 294.307 1.999 20 5 CDBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@@H]2CCCOC2)n1 ZINC001231259503 942835413 /nfs/dbraw/zinc/83/54/13/942835413.db2.gz NJASQBYDHSTMFD-MRVPVSSYSA-N -1 1 254.242 1.562 20 5 CDBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2CCCCC2=O)n1 ZINC001231262427 942838911 /nfs/dbraw/zinc/83/89/11/942838911.db2.gz GHNMSZKKIMXJNL-JTQLQIEISA-N -1 1 266.253 1.894 20 5 CDBDMM CON(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(C)C ZINC001328195384 955221279 /nfs/dbraw/zinc/22/12/79/955221279.db2.gz SZKHKUSOFYBXQU-UHFFFAOYSA-N -1 1 255.230 1.107 20 5 CDBDMM COc1ccc([N+](=O)[O-])c(C(=O)Nc2c(C)[n-][nH]c2=O)c1 ZINC000590565352 342576025 /nfs/dbraw/zinc/57/60/25/342576025.db2.gz LJVDBJYNEMJOBD-UHFFFAOYSA-N -1 1 292.251 1.593 20 5 CDBDMM CC(C)CC[C@@H](CO)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000600307268 342056871 /nfs/dbraw/zinc/05/68/71/342056871.db2.gz RMXMKTXSVLGRDH-JTQLQIEISA-N -1 1 297.311 1.222 20 5 CDBDMM CN(Cc1cc([O-])ccc1[N+](=O)[O-])C[C@@H]1CCC[C@@H]1O ZINC000091898652 342408979 /nfs/dbraw/zinc/40/89/79/342408979.db2.gz UJQVXDRDVYVSNE-HZMBPMFUSA-N -1 1 280.324 1.893 20 5 CDBDMM CCn1ncc(C)c1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000598200103 343740220 /nfs/dbraw/zinc/74/02/20/343740220.db2.gz SVCYNJAMIHCGRL-UHFFFAOYSA-N -1 1 263.257 1.700 20 5 CDBDMM C[C@@H]1C[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCO1 ZINC000271625620 191246564 /nfs/dbraw/zinc/24/65/64/191246564.db2.gz XRWGWDGOCURZCI-BDAKNGLRSA-N -1 1 295.295 1.240 20 5 CDBDMM CN(C[C@H]1CCCOC1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193564522 358303472 /nfs/dbraw/zinc/30/34/72/358303472.db2.gz XCJTTXWVVHPYON-SECBINFHSA-N -1 1 295.295 1.194 20 5 CDBDMM O=C(Nc1ccncc1[O-])c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000538688552 358890984 /nfs/dbraw/zinc/89/09/84/358890984.db2.gz KEFANLZHEJKWCW-UHFFFAOYSA-N -1 1 298.258 1.851 20 5 CDBDMM CC[C@@H](C)CN(C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000111628923 359244802 /nfs/dbraw/zinc/24/48/02/359244802.db2.gz GONYSORDUXEZFW-MRVPVSSYSA-N -1 1 267.285 1.814 20 5 CDBDMM CS[C@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000295610983 370522895 /nfs/dbraw/zinc/52/28/95/370522895.db2.gz ULPJNVHKUQKBSU-QMMMGPOBSA-N -1 1 283.309 1.273 20 5 CDBDMM CC(F)(F)CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000295633310 370527538 /nfs/dbraw/zinc/52/75/38/370527538.db2.gz SMDUDVDJFDVRKB-UHFFFAOYSA-N -1 1 275.211 1.471 20 5 CDBDMM C[C@@H]1C[C@@H](C)CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000028812992 375326718 /nfs/dbraw/zinc/32/67/18/375326718.db2.gz ZULPYPGBRLREQV-RKDXNWHRSA-N -1 1 279.296 1.401 20 5 CDBDMM CCCN(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000356286890 375831070 /nfs/dbraw/zinc/83/10/70/375831070.db2.gz XWRMRCSPDOJRED-UHFFFAOYSA-N -1 1 267.285 1.581 20 5 CDBDMM CN(Cc1cccn1C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000134340697 375958538 /nfs/dbraw/zinc/95/85/38/375958538.db2.gz BOQLHYRIHTYLFJ-UHFFFAOYSA-N -1 1 290.279 1.306 20 5 CDBDMM CC[C@@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445187528 250211585 /nfs/dbraw/zinc/21/15/85/250211585.db2.gz QHCMMXRUVNUMIX-SECBINFHSA-N -1 1 265.269 1.710 20 5 CDBDMM C[C@H](CC(F)(F)F)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445216134 250212311 /nfs/dbraw/zinc/21/23/11/250212311.db2.gz NRNUENFGYMBQCN-RXMQYKEDSA-N -1 1 293.201 1.766 20 5 CDBDMM CCc1ncc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cn1 ZINC000437560909 391654655 /nfs/dbraw/zinc/65/46/55/391654655.db2.gz SCHQNOGFLDTXHZ-UHFFFAOYSA-N -1 1 261.241 1.528 20 5 CDBDMM O=[N+]([O-])c1c(NCc2nn[n-]n2)ccc2ncccc21 ZINC000044931626 175279823 /nfs/dbraw/zinc/27/98/23/175279823.db2.gz OVWLAZXJTZKWFN-UHFFFAOYSA-N -1 1 271.240 1.268 20 5 CDBDMM CC(C)(O)CCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001589333053 1173138890 /nfs/dbraw/zinc/13/88/90/1173138890.db2.gz MKZZZUSIBQHJPK-UHFFFAOYSA-N -1 1 292.299 1.348 20 5 CDBDMM CC(C)(O)CCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001589333053 1173138894 /nfs/dbraw/zinc/13/88/94/1173138894.db2.gz MKZZZUSIBQHJPK-UHFFFAOYSA-N -1 1 292.299 1.348 20 5 CDBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cnc[nH]1 ZINC000570236971 294201604 /nfs/dbraw/zinc/20/16/04/294201604.db2.gz OXGTZAFZSADIKI-UHFFFAOYSA-N -1 1 282.281 1.427 20 5 CDBDMM Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc([O-])c1F ZINC000184244538 323359971 /nfs/dbraw/zinc/35/99/71/323359971.db2.gz ZYDRQASGABIAHE-UHFFFAOYSA-N -1 1 292.226 1.669 20 5 CDBDMM COC(=O)c1cc([N-]S(C)(=O)=O)c(C)c([N+](=O)[O-])c1 ZINC000581877513 324849532 /nfs/dbraw/zinc/84/95/32/324849532.db2.gz BERJPZUNVOWCLD-UHFFFAOYSA-N -1 1 288.281 1.061 20 5 CDBDMM COCc1cnc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)s1 ZINC000340802198 523152106 /nfs/dbraw/zinc/15/21/06/523152106.db2.gz DYDFELDCLMLHKV-UHFFFAOYSA-N -1 1 282.281 1.778 20 5 CDBDMM O=C(Nc1ccncc1[O-])c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000336885436 527453217 /nfs/dbraw/zinc/45/32/17/527453217.db2.gz ALBSWWWDENOZCM-UHFFFAOYSA-N -1 1 298.258 1.851 20 5 CDBDMM O=[N+]([O-])c1cccc(Oc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826499579 608389223 /nfs/dbraw/zinc/38/92/23/608389223.db2.gz OAPAFQBYKBTXLD-UHFFFAOYSA-N -1 1 285.223 1.357 20 5 CDBDMM O=[N+]([O-])c1cccc(Oc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826499579 608389225 /nfs/dbraw/zinc/38/92/25/608389225.db2.gz OAPAFQBYKBTXLD-UHFFFAOYSA-N -1 1 285.223 1.357 20 5 CDBDMM Cc1cc(Oc2ccc(-c3nnn[n-]3)nn2)ccc1[N+](=O)[O-] ZINC000826271869 608392238 /nfs/dbraw/zinc/39/22/38/608392238.db2.gz KWUBUYNASIBMNX-UHFFFAOYSA-N -1 1 299.250 1.666 20 5 CDBDMM Cc1cc(Oc2ccc(-c3nn[n-]n3)nn2)ccc1[N+](=O)[O-] ZINC000826271869 608392240 /nfs/dbraw/zinc/39/22/40/608392240.db2.gz KWUBUYNASIBMNX-UHFFFAOYSA-N -1 1 299.250 1.666 20 5 CDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCC=C(F)C1 ZINC001607077311 1164072382 /nfs/dbraw/zinc/07/23/82/1164072382.db2.gz PGRGYXHNQAUYPR-UHFFFAOYSA-N -1 1 290.258 1.838 20 5 CDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCC=C(F)C1 ZINC001607077311 1164072390 /nfs/dbraw/zinc/07/23/90/1164072390.db2.gz PGRGYXHNQAUYPR-UHFFFAOYSA-N -1 1 290.258 1.838 20 5 CDBDMM O=[N+]([O-])c1ccccc1COc1cnc(-c2nn[n-]n2)nc1 ZINC001607085348 1164073773 /nfs/dbraw/zinc/07/37/73/1164073773.db2.gz QBENZILISVHSGY-UHFFFAOYSA-N -1 1 299.250 1.144 20 5 CDBDMM O=C([O-])/C=C\c1ccc(NCCN2CCC2)c([N+](=O)[O-])c1 ZINC001608661082 1164595137 /nfs/dbraw/zinc/59/51/37/1164595137.db2.gz LVFPTWHYZVXAGK-HYXAFXHYSA-N -1 1 291.307 1.810 20 5 CDBDMM C[C@@H]1CCN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590276471 1173335498 /nfs/dbraw/zinc/33/54/98/1173335498.db2.gz LNUOWXPVCKEMFE-SSDOTTSWSA-N -1 1 260.257 1.374 20 5 CDBDMM O=C([O-])[C@@H]1CCC[C@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC001602610967 1175321070 /nfs/dbraw/zinc/32/10/70/1175321070.db2.gz OCOFFQZNTNYHPC-SFYZADRCSA-N -1 1 282.252 1.723 20 5 CDBDMM CC(C)[C@@H](O)CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001603231483 1175521391 /nfs/dbraw/zinc/52/13/91/1175521391.db2.gz VZFPZSFLKWNPLE-ZETCQYMHSA-N -1 1 298.328 1.265 20 5 CDBDMM CC(C)[C@@H](O)CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001603231483 1175521399 /nfs/dbraw/zinc/52/13/99/1175521399.db2.gz VZFPZSFLKWNPLE-ZETCQYMHSA-N -1 1 298.328 1.265 20 5 CDBDMM CCOC[C@H](C(=O)[O-])N(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC001610036226 1165193280 /nfs/dbraw/zinc/19/32/80/1165193280.db2.gz YQDYMNCPGQVHIV-GFCCVEGCSA-N -1 1 298.295 1.222 20 5 CDBDMM C[C@@H]1OCC[C@@H]1COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000869441266 818130150 /nfs/dbraw/zinc/13/01/50/818130150.db2.gz WLOIZQITSQBADB-DTWKUNHWSA-N -1 1 281.264 1.882 20 5 CDBDMM CCOC(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780075502 819392639 /nfs/dbraw/zinc/39/26/39/819392639.db2.gz OVRMGPYFTFZZME-UHFFFAOYSA-N -1 1 269.209 1.020 20 5 CDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H](CF)C1 ZINC000881675406 820860416 /nfs/dbraw/zinc/86/04/16/820860416.db2.gz WOQSPXCOBPGLQJ-ZETCQYMHSA-N -1 1 269.232 1.127 20 5 CDBDMM Nc1[nH]c(=S)[n-]c(=O)c1Nc1cc([N+](=O)[O-])ccc1F ZINC001175734161 913755528 /nfs/dbraw/zinc/75/55/28/913755528.db2.gz MPTSMHFIKMKLHL-UHFFFAOYSA-N -1 1 297.271 1.844 20 5 CDBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2CCOC[C@H]2C)n1 ZINC001231261938 925687688 /nfs/dbraw/zinc/68/76/88/925687688.db2.gz CLDXYRIBMQIEBQ-XCBNKYQSSA-N -1 1 268.269 1.808 20 5 CDBDMM CC(=O)c1nn(C)cc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199819427 925856072 /nfs/dbraw/zinc/85/60/72/925856072.db2.gz REPOCSMQFCAPMJ-UHFFFAOYSA-N -1 1 276.252 1.980 20 5 CDBDMM Cc1cc(=N)n(-c2cc([O-])cc([N+](=O)[O-])c2)cc1N ZINC001199828799 925878501 /nfs/dbraw/zinc/87/85/01/925878501.db2.gz SWDOIGWFLCOLQO-UHFFFAOYSA-N -1 1 260.253 1.461 20 5 CDBDMM Cc1cc2c(cc1Nc1cc([O-])cc([N+](=O)[O-])c1)=NC(=O)N=2 ZINC001201222026 926234564 /nfs/dbraw/zinc/23/45/64/926234564.db2.gz IIDARJOZPJVFOQ-UHFFFAOYSA-N -1 1 298.258 1.725 20 5 CDBDMM O=C(Nc1ccnc(CO)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC001150032047 937214707 /nfs/dbraw/zinc/21/47/07/937214707.db2.gz JHJZQVHHXMOZLX-UHFFFAOYSA-N -1 1 262.225 1.063 20 5 CDBDMM C[C@@H](NC(=O)c1cnncc1[O-])c1ccccc1[N+](=O)[O-] ZINC001154124372 937506245 /nfs/dbraw/zinc/50/62/45/937506245.db2.gz RBPPXONBUAEISC-MRVPVSSYSA-N -1 1 288.263 1.581 20 5 CDBDMM Cc1nn(C)cc1[C@H](C)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228139817 942273416 /nfs/dbraw/zinc/27/34/16/942273416.db2.gz ABNVZLRIADDAPI-ZETCQYMHSA-N -1 1 279.256 1.272 20 5 CDBDMM COC(=O)c1n[n-]c(O[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC001228311647 942296259 /nfs/dbraw/zinc/29/62/59/942296259.db2.gz MKXDKFGJEXIWQQ-ZETCQYMHSA-N -1 1 292.251 1.640 20 5 CDBDMM COC(=O)c1nc(O[C@@H](C)c2cccc([N+](=O)[O-])c2)n[n-]1 ZINC001228311647 942296262 /nfs/dbraw/zinc/29/62/62/942296262.db2.gz MKXDKFGJEXIWQQ-ZETCQYMHSA-N -1 1 292.251 1.640 20 5 CDBDMM COC(=O)[C@H]1C[C@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229395362 942463323 /nfs/dbraw/zinc/46/33/23/942463323.db2.gz HOIFNGMYMUVZEA-XWEPSHTISA-N -1 1 267.237 1.631 20 5 CDBDMM Cc1cc(=O)c([N+](=O)[O-])c(OC2CN(C(C)C)C2)[n-]1 ZINC001231261136 942838974 /nfs/dbraw/zinc/83/89/74/942838974.db2.gz YWKMDKRMDIZYOM-UHFFFAOYSA-N -1 1 267.285 1.475 20 5 CDBDMM Cc1cc([O-])c([N+](=O)[O-])c(OC2CN(C(C)C)C2)n1 ZINC001231261136 942838987 /nfs/dbraw/zinc/83/89/87/942838987.db2.gz YWKMDKRMDIZYOM-UHFFFAOYSA-N -1 1 267.285 1.475 20 5 CDBDMM CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H](C)C(=O)[O-] ZINC001589706348 950293382 /nfs/dbraw/zinc/29/33/82/950293382.db2.gz RVJGUTWOCRSKTO-SSDOTTSWSA-N -1 1 282.252 1.236 20 5 CDBDMM O=C(Nc1c[n-][nH]c1=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC001306848805 954045787 /nfs/dbraw/zinc/04/57/87/954045787.db2.gz XEWNWVPAEIZASN-UHFFFAOYSA-N -1 1 282.643 1.929 20 5 CDBDMM O=C(NCc1ccc(O)c(Cl)c1)c1n[nH]cc1[N+](=O)[O-] ZINC001303298896 956076835 /nfs/dbraw/zinc/07/68/35/956076835.db2.gz LKQXXWJNWNMHDP-UHFFFAOYSA-N -1 1 296.670 1.607 20 5 CDBDMM O=C(NCc1ccc([O-])c(Cl)c1)c1[nH]ncc1[N+](=O)[O-] ZINC001303298896 956076845 /nfs/dbraw/zinc/07/68/45/956076845.db2.gz LKQXXWJNWNMHDP-UHFFFAOYSA-N -1 1 296.670 1.607 20 5 CDBDMM CC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC001306892895 956346637 /nfs/dbraw/zinc/34/66/37/956346637.db2.gz KMSHBIAHLQQUEK-UHFFFAOYSA-N -1 1 293.279 1.137 20 5 CDBDMM C/C(=C\CN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC001588977725 984835994 /nfs/dbraw/zinc/83/59/94/984835994.db2.gz BCWPLOLRLIKISK-XYYIANASSA-N -1 1 294.307 1.423 20 5 CDBDMM COC[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC001599177649 996880443 /nfs/dbraw/zinc/88/04/43/996880443.db2.gz RSSJDPUCEIGTIV-JTQLQIEISA-N -1 1 288.687 1.437 20 5 CDBDMM O=C(Nc1cnc(C2CC2)nc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000609129876 342091421 /nfs/dbraw/zinc/09/14/21/342091421.db2.gz OEFPJQNDYLETTG-UHFFFAOYSA-N -1 1 273.252 1.843 20 5 CDBDMM C[C@@H](COCC1CC1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000593859530 342841787 /nfs/dbraw/zinc/84/17/87/342841787.db2.gz VOGIMQOEKXETAF-QMMMGPOBSA-N -1 1 295.295 1.240 20 5 CDBDMM CC1CC(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000598778030 343904103 /nfs/dbraw/zinc/90/41/03/343904103.db2.gz HGJYCRKJGPOTIB-UHFFFAOYSA-N -1 1 265.269 1.471 20 5 CDBDMM O=C([O-])C[C@H]1CSCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000091131578 349387373 /nfs/dbraw/zinc/38/73/73/349387373.db2.gz SKNVKSQLGRXPJL-LBPRGKRZSA-N -1 1 296.348 1.987 20 5 CDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCC1CC1 ZINC000122675571 187045442 /nfs/dbraw/zinc/04/54/42/187045442.db2.gz DAPSNHALXPDCHQ-UHFFFAOYSA-N -1 1 288.300 1.812 20 5 CDBDMM CC(C)(NCc1nc(=O)[n-][nH]1)c1ccccc1[N+](=O)[O-] ZINC000292072532 198153191 /nfs/dbraw/zinc/15/31/91/198153191.db2.gz DURYWKGVWYRNNC-UHFFFAOYSA-N -1 1 277.284 1.031 20 5 CDBDMM CO[C@@](C)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CC1 ZINC000360766299 357684547 /nfs/dbraw/zinc/68/45/47/357684547.db2.gz IIQKWOVPVKLPRJ-ZDUSSCGKSA-N -1 1 295.295 1.240 20 5 CDBDMM CCCCOCCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186807092 357693731 /nfs/dbraw/zinc/69/37/31/357693731.db2.gz BLKZSGTWCLMYRK-UHFFFAOYSA-N -1 1 297.311 1.632 20 5 CDBDMM CCN(C[C@@H](C)OC)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000361059008 357789936 /nfs/dbraw/zinc/78/99/36/357789936.db2.gz HHAJOYNECNZOCX-MRVPVSSYSA-N -1 1 283.284 1.192 20 5 CDBDMM Cc1nc([C@H](C)NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)n[nH]1 ZINC000436696980 359195858 /nfs/dbraw/zinc/19/58/58/359195858.db2.gz KNUDPEFEVJAQFD-LURJTMIESA-N -1 1 291.267 1.218 20 5 CDBDMM O=C(Nc1cccc2c1CNC2=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000345553547 361188690 /nfs/dbraw/zinc/18/86/90/361188690.db2.gz DIJRHHPNDFJMPU-UHFFFAOYSA-N -1 1 286.247 1.419 20 5 CDBDMM CCCCN(CC)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000121419751 364775733 /nfs/dbraw/zinc/77/57/33/364775733.db2.gz NKTVIPMUDQRJRW-UHFFFAOYSA-N -1 1 267.285 1.958 20 5 CDBDMM O=C(NC1CC(F)(F)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277490811 374286316 /nfs/dbraw/zinc/28/63/16/374286316.db2.gz IPIMWMIMGOJHQI-UHFFFAOYSA-N -1 1 273.195 1.223 20 5 CDBDMM Cc1sc(S(=O)(=O)[N-]CC(F)F)cc1[N+](=O)[O-] ZINC000124880824 374868858 /nfs/dbraw/zinc/86/88/58/374868858.db2.gz IWNLDWXZYLPHAQ-UHFFFAOYSA-N -1 1 286.281 1.508 20 5 CDBDMM CC(C)OCCCN(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278215527 374834705 /nfs/dbraw/zinc/83/47/05/374834705.db2.gz RMLFUTKGOCLVIP-UHFFFAOYSA-N -1 1 297.311 1.583 20 5 CDBDMM COC(=O)c1cnc([N-]c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000302783932 375250979 /nfs/dbraw/zinc/25/09/79/375250979.db2.gz UNDHSOITUXIKBI-UHFFFAOYSA-N -1 1 277.240 1.254 20 5 CDBDMM Cc1cncnc1-c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000356944524 375335630 /nfs/dbraw/zinc/33/56/30/375335630.db2.gz DIUZSCCTZVZYKX-UHFFFAOYSA-N -1 1 272.224 1.738 20 5 CDBDMM CO[C@H]1CCC[C@H]1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445146909 250208269 /nfs/dbraw/zinc/20/82/69/250208269.db2.gz ZJLSEWPECGELIL-KWQFWETISA-N -1 1 295.295 1.240 20 5 CDBDMM C[C@@H](CO)Sc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001589883396 1173196399 /nfs/dbraw/zinc/19/63/99/1173196399.db2.gz DQMUWQTUQODFRT-LURJTMIESA-N -1 1 281.297 1.248 20 5 CDBDMM C[C@@H](CO)Sc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001589883396 1173196404 /nfs/dbraw/zinc/19/64/04/1173196404.db2.gz DQMUWQTUQODFRT-LURJTMIESA-N -1 1 281.297 1.248 20 5 CDBDMM CC[C@](C)(O)CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590384477 1173382879 /nfs/dbraw/zinc/38/28/79/1173382879.db2.gz NZWJRHZZBXYJFZ-JTQLQIEISA-N -1 1 298.328 1.409 20 5 CDBDMM CC[C@](C)(O)CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590384477 1173382886 /nfs/dbraw/zinc/38/28/86/1173382886.db2.gz NZWJRHZZBXYJFZ-JTQLQIEISA-N -1 1 298.328 1.409 20 5 CDBDMM C[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000187022963 288055377 /nfs/dbraw/zinc/05/53/77/288055377.db2.gz ABAQTAGKFKVFPG-MRVPVSSYSA-N -1 1 295.295 1.335 20 5 CDBDMM CCCc1[nH]nc(C(=O)[N-]c2cc(C)on2)c1[N+](=O)[O-] ZINC000737778756 576010857 /nfs/dbraw/zinc/01/08/57/576010857.db2.gz NJYFIQGJOPQQPG-UHFFFAOYSA-N -1 1 279.256 1.819 20 5 CDBDMM C[C@@H](O)[C@H](C)Sc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820467558 599100259 /nfs/dbraw/zinc/10/02/59/599100259.db2.gz JOZKNNORWKYFKV-RITPCOANSA-N -1 1 296.312 1.031 20 5 CDBDMM CC1(C)C[C@@H]1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820589348 606709371 /nfs/dbraw/zinc/70/93/71/606709371.db2.gz CDYGOSFEZPPPKG-SSDOTTSWSA-N -1 1 289.299 1.628 20 5 CDBDMM CC1(C)C[C@@H]1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820589348 606709372 /nfs/dbraw/zinc/70/93/72/606709372.db2.gz CDYGOSFEZPPPKG-SSDOTTSWSA-N -1 1 289.299 1.628 20 5 CDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(F)(F)CC1 ZINC000794301113 1162466780 /nfs/dbraw/zinc/46/67/80/1162466780.db2.gz XMWDRMKKUFPMEO-UHFFFAOYSA-N -1 1 287.222 1.567 20 5 CDBDMM O=[N+]([O-])c1cc(N[C@H]2CCSC2)ccc1-c1nn[n-]n1 ZINC001607079760 1164071163 /nfs/dbraw/zinc/07/11/63/1164071163.db2.gz LGMONCHMIXXHGW-QMMMGPOBSA-N -1 1 292.324 1.692 20 5 CDBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN(CCCO)C2CC2)c1 ZINC001608914329 1164683597 /nfs/dbraw/zinc/68/35/97/1164683597.db2.gz LVKBYIHQIUSGTH-UHFFFAOYSA-N -1 1 294.307 1.640 20 5 CDBDMM O=C([O-])c1cccc(Cl)c1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001608933236 1164688950 /nfs/dbraw/zinc/68/89/50/1164688950.db2.gz AEKDJNNXIGPEDI-GMSGAONNSA-N -1 1 299.666 1.747 20 5 CDBDMM O=C([O-])c1cncnc1/C=C\c1cc(O)ccc1[N+](=O)[O-] ZINC001608983374 1164705847 /nfs/dbraw/zinc/70/58/47/1164705847.db2.gz CZQUDEIGSFJMLQ-IWQZZHSRSA-N -1 1 287.231 1.959 20 5 CDBDMM CN(c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])C1CCC1 ZINC001591154804 1173584674 /nfs/dbraw/zinc/58/46/74/1173584674.db2.gz KZDGGIVQRFRNLW-UHFFFAOYSA-N -1 1 280.313 1.825 20 5 CDBDMM CN(c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])C1CCC1 ZINC001591154804 1173584677 /nfs/dbraw/zinc/58/46/77/1173584677.db2.gz KZDGGIVQRFRNLW-UHFFFAOYSA-N -1 1 280.313 1.825 20 5 CDBDMM O=[N+]([O-])c1c(NC[C@@H]2CCOC2)cccc1-c1nnn[n-]1 ZINC001593464906 1174079541 /nfs/dbraw/zinc/07/95/41/1174079541.db2.gz ANCHGXPYPQUZLZ-QMMMGPOBSA-N -1 1 290.283 1.223 20 5 CDBDMM O=[N+]([O-])c1c(NC[C@@H]2CCOC2)cccc1-c1nn[n-]n1 ZINC001593464906 1174079549 /nfs/dbraw/zinc/07/95/49/1174079549.db2.gz ANCHGXPYPQUZLZ-QMMMGPOBSA-N -1 1 290.283 1.223 20 5 CDBDMM O=[N+]([O-])c1cc(NCCC2CC2)ccc1-c1nn[n-]n1 ZINC001593474570 1174080775 /nfs/dbraw/zinc/08/07/75/1174080775.db2.gz TYGLJCILTOVVOC-UHFFFAOYSA-N -1 1 274.284 1.987 20 5 CDBDMM O=C([O-])[C@H]1[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)C[C@@H]21 ZINC001602204276 1175162602 /nfs/dbraw/zinc/16/26/02/1175162602.db2.gz IUYUFDBKDMMGBF-IAZYJMLFSA-N -1 1 280.255 1.496 20 5 CDBDMM Cc1[n-]n(-c2cc([N+](=O)[O-])ccc2C)c(=O)c1F ZINC000871949737 827399453 /nfs/dbraw/zinc/39/94/53/827399453.db2.gz KVWCORAHJNLMND-SNVBAGLBSA-N -1 1 251.217 1.964 20 5 CDBDMM CN1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1(C)C ZINC000162426600 827613690 /nfs/dbraw/zinc/61/36/90/827613690.db2.gz PSJTYICECFBMQR-UHFFFAOYSA-N -1 1 294.311 1.218 20 5 CDBDMM C[C@@H](C[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CC1)C(=O)[O-] ZINC001119540929 925375035 /nfs/dbraw/zinc/37/50/35/925375035.db2.gz LRHXWTCCJAOBJR-VIFPVBQESA-N -1 1 279.296 1.675 20 5 CDBDMM C[C@@H](CN(Cc1cccnc1[N+](=O)[O-])C1CC1)C(=O)[O-] ZINC001119540929 925375044 /nfs/dbraw/zinc/37/50/44/925375044.db2.gz LRHXWTCCJAOBJR-VIFPVBQESA-N -1 1 279.296 1.675 20 5 CDBDMM COC(=O)c1n[nH]cc1[N-]c1ncc(F)cc1[N+](=O)[O-] ZINC001158633450 938644467 /nfs/dbraw/zinc/64/44/67/938644467.db2.gz SMKNVFKMIRMHOP-UHFFFAOYSA-N -1 1 281.203 1.382 20 5 CDBDMM COc1ncc([N-]c2nonc2C)cc1[N+](=O)[O-] ZINC001210137075 940666082 /nfs/dbraw/zinc/66/60/82/940666082.db2.gz STEXHDOYHMWKGT-UHFFFAOYSA-N -1 1 251.202 1.433 20 5 CDBDMM Cc1cc2c(cc1Nc1ccc([O-])c([N+](=O)[O-])c1)=NC(=O)N=2 ZINC001210400102 940687949 /nfs/dbraw/zinc/68/79/49/940687949.db2.gz ALWJMTWLYCXNEW-UHFFFAOYSA-N -1 1 298.258 1.725 20 5 CDBDMM O=[N+]([O-])c1cc(F)ccc1[N-]c1nccn2cnnc12 ZINC001210951694 940723402 /nfs/dbraw/zinc/72/34/02/940723402.db2.gz NDGOYEGIXJFUBV-UHFFFAOYSA-N -1 1 274.215 1.915 20 5 CDBDMM O=c1cc[n-]c(O[C@H](C[N+](=O)[O-])C2CC2)c1[N+](=O)[O-] ZINC001225667681 941897683 /nfs/dbraw/zinc/89/76/83/941897683.db2.gz WOVOYBDWFBEKJY-MRVPVSSYSA-N -1 1 269.213 1.130 20 5 CDBDMM O=C([O-])[C@@H]1CCCN1Cc1cccnc1[N+](=O)[O-] ZINC001331996790 948597446 /nfs/dbraw/zinc/59/74/46/948597446.db2.gz LNTRRQVKJVUBNR-VIFPVBQESA-N -1 1 251.242 1.039 20 5 CDBDMM C[C@@H](C(=O)[O-])N(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000090360172 958110243 /nfs/dbraw/zinc/11/02/43/958110243.db2.gz PCRCXQZXPSNDHT-ZETCQYMHSA-N -1 1 283.240 1.408 20 5 CDBDMM COC(=O)[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1C ZINC000592127838 342667332 /nfs/dbraw/zinc/66/73/32/342667332.db2.gz BZVKFOCQRQCCRG-BXKDBHETSA-N -1 1 294.307 1.541 20 5 CDBDMM CC[C@H](C)C[C@H](CO)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000592875614 342742978 /nfs/dbraw/zinc/74/29/78/342742978.db2.gz UKFVTANLPBYKMI-WCBMZHEXSA-N -1 1 297.311 1.222 20 5 CDBDMM CN(Cc1cc([O-])ccc1[N+](=O)[O-])C[C@H]1CCC[C@@H]1O ZINC000091898657 342409044 /nfs/dbraw/zinc/40/90/44/342409044.db2.gz UJQVXDRDVYVSNE-YGRLFVJLSA-N -1 1 280.324 1.893 20 5 CDBDMM CSC1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000601691156 344226096 /nfs/dbraw/zinc/22/60/96/344226096.db2.gz HAYSOILVFWZALD-UHFFFAOYSA-N -1 1 297.336 1.663 20 5 CDBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C1CCC1 ZINC000152521490 346768082 /nfs/dbraw/zinc/76/80/82/346768082.db2.gz HAPHDFDDQSHFGY-ZETCQYMHSA-N -1 1 265.269 1.614 20 5 CDBDMM CC[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000153153653 188068063 /nfs/dbraw/zinc/06/80/63/188068063.db2.gz YGHVGMNRSGSNKU-QMMMGPOBSA-N -1 1 265.269 1.568 20 5 CDBDMM CC[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000047670624 357163005 /nfs/dbraw/zinc/16/30/05/357163005.db2.gz VQLCQXNVAJNPBH-SSDOTTSWSA-N -1 1 276.289 1.811 20 5 CDBDMM C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)C(=O)[O-] ZINC000566684674 358338993 /nfs/dbraw/zinc/33/89/93/358338993.db2.gz ZCTGHIKMPQDKOV-UHFFFAOYSA-N -1 1 292.295 1.766 20 5 CDBDMM C[C@@H]1CCC[C@@H]1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000340081638 359552851 /nfs/dbraw/zinc/55/28/51/359552851.db2.gz AHJTUSABTFMGIV-RKDXNWHRSA-N -1 1 279.296 1.861 20 5 CDBDMM CCc1nc(CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)n[nH]1 ZINC000571287527 359556962 /nfs/dbraw/zinc/55/69/62/359556962.db2.gz FLSPXKFKBAJRGW-UHFFFAOYSA-N -1 1 291.267 1.586 20 5 CDBDMM CC(C)(C)C[C@H](O)CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000172298066 363993942 /nfs/dbraw/zinc/99/39/42/363993942.db2.gz NCINBMMSFWWFJT-VIFPVBQESA-N -1 1 297.311 1.222 20 5 CDBDMM CC(C)(C)c1nnc([N-]C(=O)c2c[nH]nc2[N+](=O)[O-])s1 ZINC000548411867 366902195 /nfs/dbraw/zinc/90/21/95/366902195.db2.gz FIXDZLJYRRSQCG-UHFFFAOYSA-N -1 1 296.312 1.719 20 5 CDBDMM O=C(Nc1cc(F)ccc1[O-])c1c[nH]nc1[N+](=O)[O-] ZINC000548417993 366906062 /nfs/dbraw/zinc/90/60/62/366906062.db2.gz MKLLRRZTTLQHEJ-UHFFFAOYSA-N -1 1 266.188 1.415 20 5 CDBDMM O=C([O-])c1ccnc(NCCN2CC=CCC2)c1[N+](=O)[O-] ZINC000392227200 375045607 /nfs/dbraw/zinc/04/56/07/375045607.db2.gz OZIZRKSVCDSNAV-UHFFFAOYSA-N -1 1 292.295 1.362 20 5 CDBDMM COc1cc(O)cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000357532127 378094532 /nfs/dbraw/zinc/09/45/32/378094532.db2.gz YVUGXWIKPPYPHX-UHFFFAOYSA-N -1 1 277.236 1.889 20 5 CDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(CF)CC1 ZINC000452594722 252107156 /nfs/dbraw/zinc/10/71/56/252107156.db2.gz JDRLCNAHUOXPCE-UHFFFAOYSA-N -1 1 283.259 1.517 20 5 CDBDMM CO[C@@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000281805840 195389870 /nfs/dbraw/zinc/38/98/70/195389870.db2.gz PQUQRKMXFROBQK-WCBMZHEXSA-N -1 1 295.295 1.335 20 5 CDBDMM O=C(Nc1cccc(-n2ccnn2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000495095005 391903751 /nfs/dbraw/zinc/90/37/51/391903751.db2.gz UJTWJNMUVWOTIX-UHFFFAOYSA-N -1 1 298.262 1.756 20 5 CDBDMM CC1(C)C([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1(C)C ZINC000531206536 393058728 /nfs/dbraw/zinc/05/87/28/393058728.db2.gz OZJOODWFIMYNAQ-UHFFFAOYSA-N -1 1 299.352 1.703 20 5 CDBDMM COC(=O)c1ccc([N+](=O)[O-])c([N-]c2cnn(C)c2)n1 ZINC000166678599 139929208 /nfs/dbraw/zinc/92/92/08/139929208.db2.gz IJPDNSMZWBMPKM-UHFFFAOYSA-N -1 1 277.240 1.254 20 5 CDBDMM O=C(NCCc1cccs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186738669 140067768 /nfs/dbraw/zinc/06/77/68/140067768.db2.gz AHHRSZJYVFWBEZ-UHFFFAOYSA-N -1 1 293.304 1.729 20 5 CDBDMM C[C@H](CCCO)Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001589821702 1173186249 /nfs/dbraw/zinc/18/62/49/1173186249.db2.gz XGVGJVBXLYMDPY-MRVPVSSYSA-N -1 1 292.299 1.348 20 5 CDBDMM C[C@H](CCCO)Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001589821702 1173186255 /nfs/dbraw/zinc/18/62/55/1173186255.db2.gz XGVGJVBXLYMDPY-MRVPVSSYSA-N -1 1 292.299 1.348 20 5 CDBDMM C[C@@H](CCO)Sc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001589834265 1173191172 /nfs/dbraw/zinc/19/11/72/1173191172.db2.gz GLFJTBVWJBQTTA-ZETCQYMHSA-N -1 1 295.324 1.638 20 5 CDBDMM C[C@@H](CCO)Sc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001589834265 1173191175 /nfs/dbraw/zinc/19/11/75/1173191175.db2.gz GLFJTBVWJBQTTA-ZETCQYMHSA-N -1 1 295.324 1.638 20 5 CDBDMM CCN1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000568767344 294099476 /nfs/dbraw/zinc/09/94/76/294099476.db2.gz PYSGWUBDEMJKDP-UHFFFAOYSA-N -1 1 293.323 1.743 20 5 CDBDMM COc1cccc(C(=O)[N-]c2nncs2)c1[N+](=O)[O-] ZINC000193910801 295289199 /nfs/dbraw/zinc/28/91/99/295289199.db2.gz UVMOZVGQDBLCIW-UHFFFAOYSA-N -1 1 280.265 1.707 20 5 CDBDMM CC(C)(C)SCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000263887894 535031266 /nfs/dbraw/zinc/03/12/66/535031266.db2.gz XTISUFGQSLFMKN-UHFFFAOYSA-N -1 1 299.352 1.957 20 5 CDBDMM C[C@H](C(=O)[O-])N(C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000054070631 597475112 /nfs/dbraw/zinc/47/51/12/597475112.db2.gz MILPCGGQMJUINN-SSDOTTSWSA-N -1 1 256.233 1.639 20 5 CDBDMM O=C([O-])[C@@]1(F)CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000833174150 601440432 /nfs/dbraw/zinc/44/04/32/601440432.db2.gz BNMKAHQIVQXDLG-CYBMUJFWSA-N -1 1 282.271 1.636 20 5 CDBDMM Cc1nn(CN2CC[C@](C)(C(=O)[O-])C2)c(C)c1[N+](=O)[O-] ZINC000833017123 601894619 /nfs/dbraw/zinc/89/46/19/601894619.db2.gz XLZPPLFMXMCIDS-LBPRGKRZSA-N -1 1 282.300 1.162 20 5 CDBDMM O=[N+]([O-])c1cccc(NCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826499832 607546893 /nfs/dbraw/zinc/54/68/93/607546893.db2.gz ZNFSQOLNGGFRTQ-UHFFFAOYSA-N -1 1 297.278 1.782 20 5 CDBDMM O=[N+]([O-])c1cccc(NCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826499832 607546894 /nfs/dbraw/zinc/54/68/94/607546894.db2.gz ZNFSQOLNGGFRTQ-UHFFFAOYSA-N -1 1 297.278 1.782 20 5 CDBDMM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000833419012 604862918 /nfs/dbraw/zinc/86/29/18/604862918.db2.gz CTDORDPCVZMXFR-SNVBAGLBSA-N -1 1 296.327 1.572 20 5 CDBDMM O=[N+]([O-])c1cc(NCC2CCC2)ccc1-c1nn[n-]n1 ZINC000823634461 606645252 /nfs/dbraw/zinc/64/52/52/606645252.db2.gz GHEDLHORCOTDQZ-UHFFFAOYSA-N -1 1 274.284 1.987 20 5 CDBDMM O=[N+]([O-])c1cc(N2C3CCC2CC3)ccc1-c1nn[n-]n1 ZINC001607079216 1164072786 /nfs/dbraw/zinc/07/27/86/1164072786.db2.gz YGOHZLLPPVBLOE-UHFFFAOYSA-N -1 1 286.295 1.906 20 5 CDBDMM Cc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)n2ncnc2n1 ZINC001210393174 1167360532 /nfs/dbraw/zinc/36/05/32/1167360532.db2.gz QJGLPINFTKLNBK-UHFFFAOYSA-N -1 1 286.251 1.790 20 5 CDBDMM CC(C)CONc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001589647177 1173166283 /nfs/dbraw/zinc/16/62/83/1173166283.db2.gz CORISVHZAQMNKP-UHFFFAOYSA-N -1 1 278.272 1.774 20 5 CDBDMM CC(C)CONc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001589647177 1173166287 /nfs/dbraw/zinc/16/62/87/1173166287.db2.gz CORISVHZAQMNKP-UHFFFAOYSA-N -1 1 278.272 1.774 20 5 CDBDMM C[C@H]1C[C@H]1CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590221044 1173299566 /nfs/dbraw/zinc/29/95/66/1173299566.db2.gz PXMKKQLXEXPIDD-YUMQZZPRSA-N -1 1 274.284 1.843 20 5 CDBDMM C[C@H]1C[C@H]1CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590221044 1173299568 /nfs/dbraw/zinc/29/95/68/1173299568.db2.gz PXMKKQLXEXPIDD-YUMQZZPRSA-N -1 1 274.284 1.843 20 5 CDBDMM C[C@@H]1CCC[C@H](n2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)C1 ZINC001590255282 1173324532 /nfs/dbraw/zinc/32/45/32/1173324532.db2.gz UJQAKGNABCPPSL-SFYZADRCSA-N -1 1 277.288 1.723 20 5 CDBDMM CC[C@@H](C)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590414030 1173398827 /nfs/dbraw/zinc/39/88/27/1173398827.db2.gz IOAMLPZDXZRWIV-SSDOTTSWSA-N -1 1 262.273 1.985 20 5 CDBDMM O=[N+]([O-])c1cc(N2CC[C@@H]2C2CC2)ccc1-c1nn[n-]n1 ZINC001593471658 1174082733 /nfs/dbraw/zinc/08/27/33/1174082733.db2.gz RETVNRIWFDGWCJ-LLVKDONJSA-N -1 1 286.295 1.764 20 5 CDBDMM O=[N+]([O-])c1ccnn1Cc1ccc(-c2nn[n-]n2)s1 ZINC001593487114 1174085310 /nfs/dbraw/zinc/08/53/10/1174085310.db2.gz URANLXOAIQPGII-UHFFFAOYSA-N -1 1 277.269 1.081 20 5 CDBDMM O=C([O-])C[C@@]1(NCc2c(F)cccc2[N+](=O)[O-])CCOC1 ZINC001601936438 1175074598 /nfs/dbraw/zinc/07/45/98/1175074598.db2.gz QUHFGZIQCMFNHY-ZDUSSCGKSA-N -1 1 298.270 1.457 20 5 CDBDMM C[C@@H]1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001603909925 1175683290 /nfs/dbraw/zinc/68/32/90/1175683290.db2.gz QAADONCIPURNHI-SSDOTTSWSA-N -1 1 289.299 1.203 20 5 CDBDMM C[C@@H]1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001603909925 1175683297 /nfs/dbraw/zinc/68/32/97/1175683297.db2.gz QAADONCIPURNHI-SSDOTTSWSA-N -1 1 289.299 1.203 20 5 CDBDMM CC(C)N(CCO)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001609705090 1165048989 /nfs/dbraw/zinc/04/89/89/1165048989.db2.gz MIQZDBGOFKWUMI-UHFFFAOYSA-N -1 1 282.296 1.496 20 5 CDBDMM Cn1[n-]cc2c(=NC(=O)c3ccc([N+](=O)[O-])o3)ccnc1-2 ZINC000791285911 832301950 /nfs/dbraw/zinc/30/19/50/832301950.db2.gz KHOHOMSHHDCZML-UHFFFAOYSA-N -1 1 287.235 1.095 20 5 CDBDMM O=C(Nc1nn[nH]n1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000709827830 832676262 /nfs/dbraw/zinc/67/62/62/832676262.db2.gz YIDRUWPWNYORIY-UHFFFAOYSA-N -1 1 268.620 1.014 20 5 CDBDMM O=C(Nc1nn[n-]n1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000709827830 832676275 /nfs/dbraw/zinc/67/62/75/832676275.db2.gz YIDRUWPWNYORIY-UHFFFAOYSA-N -1 1 268.620 1.014 20 5 CDBDMM O=c1cc[n-]c(OC2CCSCC2)c1[N+](=O)[O-] ZINC001225661190 941895371 /nfs/dbraw/zinc/89/53/71/941895371.db2.gz LXDLMPFLKYIJOL-UHFFFAOYSA-N -1 1 256.283 1.970 20 5 CDBDMM O=c1cc[n-]c(OC[C@@H]2CCC=CO2)c1[N+](=O)[O-] ZINC001225661561 941895958 /nfs/dbraw/zinc/89/59/58/941895958.db2.gz MMQXHYRBDHLTTI-QMMMGPOBSA-N -1 1 252.226 1.767 20 5 CDBDMM Cc1cc([O-])c(O[C@H]2CO[C@H]3OCC[C@@H]23)cc1[N+](=O)[O-] ZINC001229751971 942526948 /nfs/dbraw/zinc/52/69/48/942526948.db2.gz ZSFOLUGURSBZAZ-AQUOVQTQSA-N -1 1 281.264 1.749 20 5 CDBDMM CC(=O)N1CCC(Oc2cc([N+](=O)[O-])c(C)cc2[O-])CC1 ZINC001229751885 942527083 /nfs/dbraw/zinc/52/70/83/942527083.db2.gz YUOXXGIVQQIQKO-UHFFFAOYSA-N -1 1 294.307 1.999 20 5 CDBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2CCn3ccnc32)n1 ZINC001231259726 942837326 /nfs/dbraw/zinc/83/73/26/942837326.db2.gz PIBDXLMPOQZERA-VIFPVBQESA-N -1 1 276.252 1.724 20 5 CDBDMM CC(C)CCc1nnc(-c2[n-]cnc2[N+](=O)[O-])o1 ZINC001258331748 948760402 /nfs/dbraw/zinc/76/04/02/948760402.db2.gz FTLLOGLZLNNPSD-UHFFFAOYSA-N -1 1 251.246 1.957 20 5 CDBDMM C[C@@H](CN(C)Cc1cc(F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000042705844 957426217 /nfs/dbraw/zinc/42/62/17/957426217.db2.gz FZMKHSJCYACMBK-QMMMGPOBSA-N -1 1 270.260 1.886 20 5 CDBDMM Cc1[n-][nH]c(=O)c1NC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000590398580 342543680 /nfs/dbraw/zinc/54/36/80/342543680.db2.gz QDIGRHNQUFRLNF-UHFFFAOYSA-N -1 1 294.271 1.431 20 5 CDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccccc1 ZINC000147491369 342435996 /nfs/dbraw/zinc/43/59/96/342435996.db2.gz DFKXJCTYYASGGG-UHFFFAOYSA-N -1 1 293.304 1.468 20 5 CDBDMM CC1(F)CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000603252589 344752609 /nfs/dbraw/zinc/75/26/09/344752609.db2.gz VQZMTHMGLJJXFA-UHFFFAOYSA-N -1 1 283.259 1.660 20 5 CDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cccs1 ZINC000610212166 346220319 /nfs/dbraw/zinc/22/03/19/346220319.db2.gz MWPYGMPBCWGFAG-UHFFFAOYSA-N -1 1 299.333 1.530 20 5 CDBDMM NC(=O)c1cccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c1 ZINC000612900756 347316476 /nfs/dbraw/zinc/31/64/76/347316476.db2.gz QGFBNSVHWOVYHX-UHFFFAOYSA-N -1 1 299.246 1.739 20 5 CDBDMM COC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000036816113 363209355 /nfs/dbraw/zinc/20/93/55/363209355.db2.gz LSGMPDKCOOTGSY-UHFFFAOYSA-N -1 1 289.247 1.962 20 5 CDBDMM Cc1nc([N-]C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])nn1C ZINC000294315051 198996119 /nfs/dbraw/zinc/99/61/19/198996119.db2.gz SBLKSQMAXLCBNV-UHFFFAOYSA-N -1 1 293.287 1.131 20 5 CDBDMM C[C@@H]1[C@H](CO)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339132681 359296710 /nfs/dbraw/zinc/29/67/10/359296710.db2.gz JTKXIKQSMWLJQQ-ZJUUUORDSA-N -1 1 266.297 1.503 20 5 CDBDMM O=C(Nc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])[n-]1 ZINC000070157634 361727477 /nfs/dbraw/zinc/72/74/77/361727477.db2.gz DMCDYCRORWMHED-UHFFFAOYSA-N -1 1 271.236 1.473 20 5 CDBDMM COC1(C)CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000272153496 367156265 /nfs/dbraw/zinc/15/62/65/367156265.db2.gz XSLPXPHGPWUNGG-UHFFFAOYSA-N -1 1 295.295 1.337 20 5 CDBDMM CC[C@@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000420705975 244335517 /nfs/dbraw/zinc/33/55/17/244335517.db2.gz KTOGKPQXMMQUCN-SSDOTTSWSA-N -1 1 278.355 1.981 20 5 CDBDMM CC(C)C[C@@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193747359 372053313 /nfs/dbraw/zinc/05/33/13/372053313.db2.gz QFVIRIOJGSHRKS-MRVPVSSYSA-N -1 1 267.285 1.860 20 5 CDBDMM CC1(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000280192690 374986240 /nfs/dbraw/zinc/98/62/40/374986240.db2.gz DDHANTONRDYYJI-UHFFFAOYSA-N -1 1 265.269 1.615 20 5 CDBDMM COc1ccc(S(=O)(=O)[N-]CC(F)F)c([N+](=O)[O-])c1 ZINC000074969810 376923095 /nfs/dbraw/zinc/92/30/95/376923095.db2.gz PIADMCIXAXFGFW-UHFFFAOYSA-N -1 1 296.251 1.147 20 5 CDBDMM Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)n1C1CC1 ZINC000285842181 390185122 /nfs/dbraw/zinc/18/51/22/390185122.db2.gz WRLGTFUSTVEGSJ-UHFFFAOYSA-N -1 1 276.256 1.410 20 5 CDBDMM C[C@H]1CCN(C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436972232 391429466 /nfs/dbraw/zinc/42/94/66/391429466.db2.gz NAKHWQWYPIRDTA-JTQLQIEISA-N -1 1 293.323 1.467 20 5 CDBDMM O=C(NCC(F)(F)C(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000191790562 130303341 /nfs/dbraw/zinc/30/33/41/130303341.db2.gz GXWAHNNUMLCUCI-UHFFFAOYSA-N -1 1 297.164 1.326 20 5 CDBDMM Cc1occc1CN(C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000194223500 392148805 /nfs/dbraw/zinc/14/88/05/392148805.db2.gz HAJXBUXUBFNGAB-UHFFFAOYSA-N -1 1 291.263 1.869 20 5 CDBDMM C[C@@H]1C[C@H]1CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001590221165 1173301651 /nfs/dbraw/zinc/30/16/51/1173301651.db2.gz RDSCSAOBNALRKO-SFYZADRCSA-N -1 1 274.284 1.843 20 5 CDBDMM C[C@@H]1C[C@H]1CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001590221165 1173301658 /nfs/dbraw/zinc/30/16/58/1173301658.db2.gz RDSCSAOBNALRKO-SFYZADRCSA-N -1 1 274.284 1.843 20 5 CDBDMM COCCSc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591447689 1173652713 /nfs/dbraw/zinc/65/27/13/1173652713.db2.gz 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367042887 /nfs/dbraw/zinc/04/28/87/367042887.db2.gz OYCLAMDSWBRGGL-UHFFFAOYSA-N -1 1 265.269 1.758 20 5 CDBDMM COC1(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCCC1 ZINC000295292932 369878794 /nfs/dbraw/zinc/87/87/94/369878794.db2.gz IUNWGPDUQSVNHM-UHFFFAOYSA-N -1 1 295.295 1.384 20 5 CDBDMM CCC1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000298898887 374254642 /nfs/dbraw/zinc/25/46/42/374254642.db2.gz ARNILZYQQFWVGH-UHFFFAOYSA-N -1 1 279.296 1.958 20 5 CDBDMM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C12CCCN1CCC2 ZINC000279564050 374925298 /nfs/dbraw/zinc/92/52/98/374925298.db2.gz XVYNDCFPBWBZPH-UHFFFAOYSA-N -1 1 291.307 1.867 20 5 CDBDMM CO[C@]1(C)CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000279625000 374937473 /nfs/dbraw/zinc/93/74/73/374937473.db2.gz CTAYWSQTEPFREK-CYBMUJFWSA-N -1 1 295.295 1.337 20 5 CDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)C(C)C)c([N+](=O)[O-])n1 ZINC000331213708 374908219 /nfs/dbraw/zinc/90/82/19/374908219.db2.gz AMYKEXPRUBRASJ-QMMMGPOBSA-N -1 1 290.345 1.134 20 5 CDBDMM 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/nfs/dbraw/zinc/07/14/65/1164071465.db2.gz WLAIZCFGVZMNDC-UHFFFAOYSA-N -1 1 272.268 1.375 20 5 CDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CC2(CC2)C1 ZINC001607076832 1164071469 /nfs/dbraw/zinc/07/14/69/1164071469.db2.gz WLAIZCFGVZMNDC-UHFFFAOYSA-N -1 1 272.268 1.375 20 5 CDBDMM COc1ncc(Nc2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC001210392746 1167360120 /nfs/dbraw/zinc/36/01/20/1167360120.db2.gz JAJPNFUQYJAZSG-UHFFFAOYSA-N -1 1 262.225 1.843 20 5 CDBDMM CC(C)O[N-]C(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC001575798792 1171274189 /nfs/dbraw/zinc/27/41/89/1171274189.db2.gz KZIFIAUHTPSLMM-GFCCVEGCSA-N -1 1 267.285 1.225 20 5 CDBDMM C[C@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])[C@H]1C ZINC001590317477 1173354252 /nfs/dbraw/zinc/35/42/52/1173354252.db2.gz AMGSCQRGCNKSMQ-BQBZGAKWSA-N -1 1 275.272 1.015 20 5 CDBDMM C[C@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])[C@H]1C ZINC001590317477 1173354260 /nfs/dbraw/zinc/35/42/60/1173354260.db2.gz AMGSCQRGCNKSMQ-BQBZGAKWSA-N -1 1 275.272 1.015 20 5 CDBDMM 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CDBDMM Cc1nc(-c2nnn[n-]2)n(Cc2cccc([N+](=O)[O-])c2)c1C ZINC001592340119 1173862940 /nfs/dbraw/zinc/86/29/40/1173862940.db2.gz VIBMKYOFAFBHEV-UHFFFAOYSA-N -1 1 299.294 1.637 20 5 CDBDMM Cc1nc(-c2nn[n-]n2)n(Cc2cccc([N+](=O)[O-])c2)c1C ZINC001592340119 1173862945 /nfs/dbraw/zinc/86/29/45/1173862945.db2.gz VIBMKYOFAFBHEV-UHFFFAOYSA-N -1 1 299.294 1.637 20 5 CDBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CC[C@@H]3C[C@@H]32)c1 ZINC001602404949 1175232557 /nfs/dbraw/zinc/23/25/57/1175232557.db2.gz JVSQQEUIEJZKIA-PELKAZGASA-N -1 1 262.265 1.887 20 5 CDBDMM C[C@@H]1C[C@@H]1CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001603870500 1175662797 /nfs/dbraw/zinc/66/27/97/1175662797.db2.gz IDCMFRRMQPUZBS-HTQZYQBOSA-N -1 1 274.284 1.843 20 5 CDBDMM Cn1[n-]cc2c(=NC(=O)c3ccc([N+](=O)[O-])cc3)ccnc1-2 ZINC000791165323 712158019 /nfs/dbraw/zinc/15/80/19/712158019.db2.gz OZTIWGPWBUOOPF-UHFFFAOYSA-N -1 1 297.274 1.502 20 5 CDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C1CC=CC1 ZINC000125056917 712333263 /nfs/dbraw/zinc/33/32/63/712333263.db2.gz XTVKWBXWVOVUDC-UHFFFAOYSA-N -1 1 286.284 1.731 20 5 CDBDMM COc1ccc([N+](=O)[O-])cc1COC(=O)c1cn[n-]n1 ZINC000805603444 712416069 /nfs/dbraw/zinc/41/60/69/712416069.db2.gz MVLKDXMBGXJBSI-UHFFFAOYSA-N -1 1 278.224 1.079 20 5 CDBDMM O=[N+]([O-])C[C@@H](Oc1[n-]c(=S)ncc1F)c1cccnc1 ZINC001227383714 906297561 /nfs/dbraw/zinc/29/75/61/906297561.db2.gz QRWWZOSJPYPVQZ-SECBINFHSA-N -1 1 296.283 1.696 20 5 CDBDMM Cc1cnc(Nc2[n-]c(=O)nc3nc[nH]c32)c([N+](=O)[O-])c1 ZINC001159192790 938710113 /nfs/dbraw/zinc/71/01/13/938710113.db2.gz ZLGOILTTYOICSJ-UHFFFAOYSA-N -1 1 287.239 1.414 20 5 CDBDMM CC(C)(CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C1CC1 ZINC001161860971 938936491 /nfs/dbraw/zinc/93/64/91/938936491.db2.gz IJYBMKFTPFCSMR-UHFFFAOYSA-N -1 1 279.296 1.861 20 5 CDBDMM COc1ncnc(OC)c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393818 940688339 /nfs/dbraw/zinc/68/83/39/940688339.db2.gz ZVAKXBHZKDQBGP-UHFFFAOYSA-N -1 1 292.251 1.851 20 5 CDBDMM Cc1cc([O-])c(OC[C@H]2C[C@H](O)C2)cc1[N+](=O)[O-] ZINC001218428104 941216575 /nfs/dbraw/zinc/21/65/75/941216575.db2.gz PHEKSCUTQWBQHQ-KYZUINATSA-N -1 1 253.254 1.759 20 5 CDBDMM C[C@H]1OCC[C@H]1COc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225659917 941894935 /nfs/dbraw/zinc/89/49/35/941894935.db2.gz AAMWBFXNPSHSHD-SFYZADRCSA-N -1 1 254.242 1.499 20 5 CDBDMM CC1(C)CC[C@@H](COc2nc[n-]c(=O)c2[N+](=O)[O-])O1 ZINC001228142647 942275384 /nfs/dbraw/zinc/27/53/84/942275384.db2.gz GKPQWFVZQYBXGR-ZETCQYMHSA-N -1 1 269.257 1.427 20 5 CDBDMM CC[C@@H](COc1nc(C)cc([O-])c1[N+](=O)[O-])OC ZINC001231263493 942838446 /nfs/dbraw/zinc/83/84/46/942838446.db2.gz KFBMLYKCEQWFMM-QMMMGPOBSA-N -1 1 256.258 1.808 20 5 CDBDMM O=C(OCC[C@@H]1CCOC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001330835162 956657463 /nfs/dbraw/zinc/65/74/63/956657463.db2.gz SHIMYTQCGONHCV-VIFPVBQESA-N -1 1 281.264 1.884 20 5 CDBDMM CCCC[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC001595636822 981922678 /nfs/dbraw/zinc/92/26/78/981922678.db2.gz SWMSVZPXKZCTBA-LLVKDONJSA-N -1 1 296.279 1.674 20 5 CDBDMM C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C(C)(C)CC(=O)[O-] ZINC001598508750 992540183 /nfs/dbraw/zinc/54/01/83/992540183.db2.gz ZWPWIKTUSTZUAS-UHFFFAOYSA-N -1 1 282.296 1.986 20 5 CDBDMM Cc1cc(S(=O)(=O)[N-]CCCF)c(F)cc1[N+](=O)[O-] ZINC000601374290 342558026 /nfs/dbraw/zinc/55/80/26/342558026.db2.gz CUPZOEDAYCTHCF-UHFFFAOYSA-N -1 1 294.279 1.680 20 5 CDBDMM C[C@H](C[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-])C(=O)[O-] ZINC000593288097 342784452 /nfs/dbraw/zinc/78/44/52/342784452.db2.gz GMRWLMQZYOBIGY-MRVPVSSYSA-N -1 1 268.269 1.453 20 5 CDBDMM O=C(Nc1cccc([N+](=O)[O-])c1)c1cncc([O-])c1 ZINC000111742227 365718944 /nfs/dbraw/zinc/71/89/44/365718944.db2.gz DNGAJLKKTAYEJM-UHFFFAOYSA-N -1 1 259.221 1.948 20 5 CDBDMM O=C(N[C@]12C[C@H]1CCC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000597891447 343659689 /nfs/dbraw/zinc/65/96/89/343659689.db2.gz WSPPINALNMUTHD-PRHODGIISA-N -1 1 263.253 1.368 20 5 CDBDMM CCC[C@H](CC)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610261906 346234522 /nfs/dbraw/zinc/23/45/22/346234522.db2.gz KLZRDXMBXBUSAY-VIFPVBQESA-N -1 1 287.341 1.847 20 5 CDBDMM O=C(NC[C@H]1CCCSC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000360446067 357235372 /nfs/dbraw/zinc/23/53/72/357235372.db2.gz OQDJKUKCBPOQCN-MRVPVSSYSA-N -1 1 297.336 1.568 20 5 CDBDMM CN=c1[n-]nc(SCc2cc(O)ccc2[N+](=O)[O-])s1 ZINC000436472819 358722407 /nfs/dbraw/zinc/72/24/07/358722407.db2.gz BOMYPQXLAFIUCL-UHFFFAOYSA-N -1 1 298.349 1.908 20 5 CDBDMM C[C@@H]1COCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000290379585 366480405 /nfs/dbraw/zinc/48/04/05/366480405.db2.gz HKBRBYDLNASWGG-RKDXNWHRSA-N -1 1 295.295 1.098 20 5 CDBDMM C[C@H](CC1CC1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000112727931 360655685 /nfs/dbraw/zinc/65/56/85/360655685.db2.gz STZGYBYDRNYWET-SSDOTTSWSA-N -1 1 265.269 1.614 20 5 CDBDMM CC(C)[C@@H]1CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000412382619 240185107 /nfs/dbraw/zinc/18/51/07/240185107.db2.gz GCMGEFJMDNBLKX-VIFPVBQESA-N -1 1 265.269 1.566 20 5 CDBDMM COCC[C@@H](C)CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000412490390 240238388 /nfs/dbraw/zinc/23/83/88/240238388.db2.gz VOALKESSOYKGMR-MRVPVSSYSA-N -1 1 283.284 1.098 20 5 CDBDMM CC[C@@H](CO)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000449378778 374803831 /nfs/dbraw/zinc/80/38/31/374803831.db2.gz XWJTXZHSSIFISP-JTQLQIEISA-N -1 1 254.286 1.503 20 5 CDBDMM CC[C@@H](C)[C@](C)(O)CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445006424 250203693 /nfs/dbraw/zinc/20/36/93/250203693.db2.gz GKRIPGGSHDPVHI-AMIZOPFISA-N -1 1 297.311 1.222 20 5 CDBDMM CC1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCCC1 ZINC000525702236 392936306 /nfs/dbraw/zinc/93/63/06/392936306.db2.gz BQJRUBYGXCGXAO-UHFFFAOYSA-N -1 1 299.352 1.848 20 5 CDBDMM C[C@@H](CCO)CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589833658 1173191181 /nfs/dbraw/zinc/19/11/81/1173191181.db2.gz GMBOBCOTTSXZSI-LURJTMIESA-N -1 1 298.328 1.267 20 5 CDBDMM C[C@@H](CCO)CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589833658 1173191182 /nfs/dbraw/zinc/19/11/82/1173191182.db2.gz GMBOBCOTTSXZSI-LURJTMIESA-N -1 1 298.328 1.267 20 5 CDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC2(CCC2)C1 ZINC000193693477 280227990 /nfs/dbraw/zinc/22/79/90/280227990.db2.gz XVDHYWUEKMUMTM-UHFFFAOYSA-N -1 1 277.280 1.712 20 5 CDBDMM O=C(Nc1cccc([O-])c1F)c1cc([N+](=O)[O-])n[nH]1 ZINC000552130214 290052864 /nfs/dbraw/zinc/05/28/64/290052864.db2.gz CCVUQMRXMUIRBN-UHFFFAOYSA-N -1 1 266.188 1.415 20 5 CDBDMM C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000263762649 290560596 /nfs/dbraw/zinc/56/05/96/290560596.db2.gz ZDPVQRVVHNOBQW-ZETCQYMHSA-N -1 1 251.242 1.177 20 5 CDBDMM CSCC[C@@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770513750 575458215 /nfs/dbraw/zinc/45/82/15/575458215.db2.gz ZTZGZDCZYHSVQY-SSDOTTSWSA-N -1 1 285.325 1.567 20 5 CDBDMM CC(C)N(C)CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736454474 575665310 /nfs/dbraw/zinc/66/53/10/575665310.db2.gz GAHAVWYBHBEJDU-UHFFFAOYSA-N -1 1 295.295 1.572 20 5 CDBDMM O=[N+]([O-])c1cccc(CNc2nccnc2-c2nnn[n-]2)c1 ZINC000738367515 576062842 /nfs/dbraw/zinc/06/28/42/576062842.db2.gz UFMFXIMESIRWQK-UHFFFAOYSA-N -1 1 298.266 1.177 20 5 CDBDMM O=[N+]([O-])c1cccc(CNc2nccnc2-c2nn[n-]n2)c1 ZINC000738367515 576062843 /nfs/dbraw/zinc/06/28/43/576062843.db2.gz UFMFXIMESIRWQK-UHFFFAOYSA-N -1 1 298.266 1.177 20 5 CDBDMM C[C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000820708977 607160923 /nfs/dbraw/zinc/16/09/23/607160923.db2.gz BBELSWFTMLYUTL-MRVPVSSYSA-N -1 1 289.299 1.406 20 5 CDBDMM C[C@@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000820708977 607160925 /nfs/dbraw/zinc/16/09/25/607160925.db2.gz BBELSWFTMLYUTL-MRVPVSSYSA-N -1 1 289.299 1.406 20 5 CDBDMM O=[N+]([O-])c1ccc(NC2CC(F)(F)C2)cc1-c1nnn[n-]1 ZINC001607082877 1164070243 /nfs/dbraw/zinc/07/02/43/1164070243.db2.gz VRFSFKJEFMNALB-UHFFFAOYSA-N -1 1 296.237 1.985 20 5 CDBDMM O=[N+]([O-])c1ccc(NC2CC(F)(F)C2)cc1-c1nn[n-]n1 ZINC001607082877 1164070255 /nfs/dbraw/zinc/07/02/55/1164070255.db2.gz VRFSFKJEFMNALB-UHFFFAOYSA-N -1 1 296.237 1.985 20 5 CDBDMM O=C([O-])c1cc(Cl)cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001608845726 1164662414 /nfs/dbraw/zinc/66/24/14/1164662414.db2.gz PUIAFMLMVWQGGX-RKDXNWHRSA-N -1 1 284.655 1.642 20 5 CDBDMM O=C([O-])[C@@]1(NCc2c(F)cccc2[N+](=O)[O-])CCOC1 ZINC001610728733 1165419101 /nfs/dbraw/zinc/41/91/01/1165419101.db2.gz CFMHVGFJUXFNLT-GFCCVEGCSA-N -1 1 284.243 1.067 20 5 CDBDMM NC(=O)c1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC001210393112 1167360136 /nfs/dbraw/zinc/36/01/36/1167360136.db2.gz OOWLJTXVPNRSHD-UHFFFAOYSA-N -1 1 274.236 1.538 20 5 CDBDMM Nc1c2c(nn1-c1ccc([O-])c([N+](=O)[O-])c1)CCC2 ZINC001210392991 1167360415 /nfs/dbraw/zinc/36/04/15/1167360415.db2.gz RYVZNWXDWLVECI-UHFFFAOYSA-N -1 1 260.253 1.557 20 5 CDBDMM O=[N+]([O-])c1cccc(OCc2ccc(-c3nnn[n-]3)o2)c1 ZINC001582804510 1172692885 /nfs/dbraw/zinc/69/28/85/1172692885.db2.gz VWNYXCBNMUJLND-UHFFFAOYSA-N -1 1 287.235 1.947 20 5 CDBDMM O=[N+]([O-])c1cccc(OCc2ccc(-c3nn[n-]n3)o2)c1 ZINC001582804510 1172692890 /nfs/dbraw/zinc/69/28/90/1172692890.db2.gz VWNYXCBNMUJLND-UHFFFAOYSA-N -1 1 287.235 1.947 20 5 CDBDMM COC(=O)CSc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591268142 1173599950 /nfs/dbraw/zinc/59/99/50/1173599950.db2.gz GCIJRARLVJBRIN-UHFFFAOYSA-N -1 1 295.280 1.040 20 5 CDBDMM COC(=O)CSc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591268142 1173599954 /nfs/dbraw/zinc/59/99/54/1173599954.db2.gz GCIJRARLVJBRIN-UHFFFAOYSA-N -1 1 295.280 1.040 20 5 CDBDMM O=[N+]([O-])c1c(NCC2CC2)cccc1-c1nnn[n-]1 ZINC001593465800 1174080134 /nfs/dbraw/zinc/08/01/34/1174080134.db2.gz SRRUXSNBKGEQQH-UHFFFAOYSA-N -1 1 260.257 1.597 20 5 CDBDMM O=[N+]([O-])c1c(NCC2CC2)cccc1-c1nn[n-]n1 ZINC001593465800 1174080140 /nfs/dbraw/zinc/08/01/40/1174080140.db2.gz SRRUXSNBKGEQQH-UHFFFAOYSA-N -1 1 260.257 1.597 20 5 CDBDMM O=[N+]([O-])c1cccnc1NCc1ccnc(-c2nnn[n-]2)c1 ZINC001593486791 1174085672 /nfs/dbraw/zinc/08/56/72/1174085672.db2.gz MIPYWESMCCZYBU-UHFFFAOYSA-N -1 1 298.266 1.177 20 5 CDBDMM O=[N+]([O-])c1cccnc1NCc1ccnc(-c2nn[n-]n2)c1 ZINC001593486791 1174085678 /nfs/dbraw/zinc/08/56/78/1174085678.db2.gz MIPYWESMCCZYBU-UHFFFAOYSA-N -1 1 298.266 1.177 20 5 CDBDMM Cc1noc(CN[C@H](CC(=O)[O-])C(C)(C)C)c1[N+](=O)[O-] ZINC001600814331 1174624360 /nfs/dbraw/zinc/62/43/60/1174624360.db2.gz CYADEPXKVHPPLY-SECBINFHSA-N -1 1 285.300 1.870 20 5 CDBDMM O=C([O-])[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCCC1 ZINC001601653349 1174930761 /nfs/dbraw/zinc/93/07/61/1174930761.db2.gz FYGFRYSHNHQKKC-GMTAPVOTSA-N -1 1 284.312 1.049 20 5 CDBDMM O=C([O-])[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCCCC1 ZINC001601654603 1174933156 /nfs/dbraw/zinc/93/31/56/1174933156.db2.gz UYGJEZOISWICNA-IJLUTSLNSA-N -1 1 298.339 1.439 20 5 CDBDMM C[C@H]1COC[C@@H]1Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001603949155 1175694698 /nfs/dbraw/zinc/69/46/98/1175694698.db2.gz VACOZBNWRLLNRN-XVKPBYJWSA-N -1 1 290.283 1.222 20 5 CDBDMM Cn1cncc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176674624 914212220 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CCOC(=O)[C@@H](CC(C)C)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228144568 942276039 /nfs/dbraw/zinc/27/60/39/942276039.db2.gz VOTOIJVDIBABEP-MRVPVSSYSA-N -1 1 299.283 1.447 20 5 CDBDMM C[C@@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])C1CCOCC1 ZINC001228144604 942276205 /nfs/dbraw/zinc/27/62/05/942276205.db2.gz WGTRPSCZPLOEOQ-SSDOTTSWSA-N -1 1 269.257 1.284 20 5 CDBDMM C[N@@H+]1CCC[C@@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])CC1 ZINC001228972560 942401514 /nfs/dbraw/zinc/40/15/14/942401514.db2.gz YSBCZKCBMKINRY-SNVBAGLBSA-N -1 1 282.296 1.869 20 5 CDBDMM C[N@H+]1CCC[C@@H](Oc2cc([O-])cc([O-])c2[N+](=O)[O-])CC1 ZINC001228972560 942401519 /nfs/dbraw/zinc/40/15/19/942401519.db2.gz YSBCZKCBMKINRY-SNVBAGLBSA-N -1 1 282.296 1.869 20 5 CDBDMM Cc1cc([O-])c(OC[C@@H]2COCO2)cc1[N+](=O)[O-] ZINC001229749587 942524997 /nfs/dbraw/zinc/52/49/97/942524997.db2.gz FINJXQYWZNURRG-QMMMGPOBSA-N -1 1 255.226 1.361 20 5 CDBDMM Cc1cc([O-])c(O[C@H]2CCOC2=O)cc1[N+](=O)[O-] ZINC001229749582 942525434 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C[C@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])[C@H]1C ZINC000820728123 606714831 /nfs/dbraw/zinc/71/48/31/606714831.db2.gz SZZHJTIKXLSMEB-YUMQZZPRSA-N -1 1 289.299 1.405 20 5 CDBDMM CCN(Cc1cccnc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC000903408931 625984640 /nfs/dbraw/zinc/98/46/40/625984640.db2.gz OEMKEMWYTVXREU-MRVPVSSYSA-N -1 1 253.258 1.285 20 5 CDBDMM COC[C@](C)(NCc1ccc([N+](=O)[O-])cc1OC)C(=O)[O-] ZINC001610243245 1165268645 /nfs/dbraw/zinc/26/86/45/1165268645.db2.gz CRCLRUADPSPZRP-ZDUSSCGKSA-N -1 1 298.295 1.183 20 5 CDBDMM C[C@H]1CCCN1c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590263271 1173328830 /nfs/dbraw/zinc/32/88/30/1173328830.db2.gz AMZRIGFKGGKVHB-LURJTMIESA-N -1 1 280.313 1.825 20 5 CDBDMM C[C@H]1CCCN1c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590263271 1173328838 /nfs/dbraw/zinc/32/88/38/1173328838.db2.gz AMZRIGFKGGKVHB-LURJTMIESA-N -1 1 280.313 1.825 20 5 CDBDMM Nc1cc(NC2CC=CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592760020 1173985694 /nfs/dbraw/zinc/98/56/94/1173985694.db2.gz OUMWMDAUNJBCDL-UHFFFAOYSA-N -1 1 287.283 1.488 20 5 CDBDMM Nc1cc(NC2CC=CC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592760020 1173985698 /nfs/dbraw/zinc/98/56/98/1173985698.db2.gz OUMWMDAUNJBCDL-UHFFFAOYSA-N -1 1 287.283 1.488 20 5 CDBDMM O=[N+]([O-])c1c(NC/C=C\Cl)cccc1-c1nnn[n-]1 ZINC001593464955 1174078318 /nfs/dbraw/zinc/07/83/18/1174078318.db2.gz CCRLTEJNPFGVQL-DJWKRKHSSA-N -1 1 280.675 1.939 20 5 CDBDMM O=[N+]([O-])c1c(NC/C=C\Cl)cccc1-c1nn[n-]n1 ZINC001593464955 1174078323 /nfs/dbraw/zinc/07/83/23/1174078323.db2.gz CCRLTEJNPFGVQL-DJWKRKHSSA-N -1 1 280.675 1.939 20 5 CDBDMM O=[N+]([O-])c1c(NCC2(O)CCC2)cccc1-c1nnn[n-]1 ZINC001593465035 1174080411 /nfs/dbraw/zinc/08/04/11/1174080411.db2.gz GKVFIIUFFMFXGQ-UHFFFAOYSA-N -1 1 290.283 1.102 20 5 CDBDMM O=[N+]([O-])c1c(NCC2(O)CCC2)cccc1-c1nn[n-]n1 ZINC001593465035 1174080417 /nfs/dbraw/zinc/08/04/17/1174080417.db2.gz GKVFIIUFFMFXGQ-UHFFFAOYSA-N -1 1 290.283 1.102 20 5 CDBDMM O=[N+]([O-])c1cc(N2CC(C(F)F)C2)ccc1-c1nn[n-]n1 ZINC001593471588 1174080892 /nfs/dbraw/zinc/08/08/92/1174080892.db2.gz OERINTIKZCFOCW-UHFFFAOYSA-N -1 1 296.237 1.476 20 5 CDBDMM O=[N+]([O-])c1ccc(N2CCC[C@H](F)C2)cc1-c1nnn[n-]1 ZINC001593479261 1174082580 /nfs/dbraw/zinc/08/25/80/1174082580.db2.gz VXUOTWVNTBDWBQ-QMMMGPOBSA-N -1 1 292.274 1.713 20 5 CDBDMM O=[N+]([O-])c1ccc(N2CCC[C@H](F)C2)cc1-c1nn[n-]n1 ZINC001593479261 1174082590 /nfs/dbraw/zinc/08/25/90/1174082590.db2.gz VXUOTWVNTBDWBQ-QMMMGPOBSA-N -1 1 292.274 1.713 20 5 CDBDMM O=[N+]([O-])c1cn(CCC2=CCCCC2)nc1-c1nn[n-]n1 ZINC001593486595 1174083284 /nfs/dbraw/zinc/08/32/84/1174083284.db2.gz BNGOROQFPZOPLC-UHFFFAOYSA-N -1 1 289.299 1.862 20 5 CDBDMM O=C([O-])c1cc(Cl)ccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001602265510 1175189849 /nfs/dbraw/zinc/18/98/49/1175189849.db2.gz GBRLTLUMFHYUGP-VXNVDRBHSA-N -1 1 284.655 1.642 20 5 CDBDMM C[C@@H](O)[C@H](C)Sc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001603693956 1175601994 /nfs/dbraw/zinc/60/19/94/1175601994.db2.gz MDCJNSUPIKIYQF-RQJHMYQMSA-N -1 1 295.324 1.636 20 5 CDBDMM C[C@@H](O)[C@H](C)Sc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001603693956 1175601997 /nfs/dbraw/zinc/60/19/97/1175601997.db2.gz MDCJNSUPIKIYQF-RQJHMYQMSA-N -1 1 295.324 1.636 20 5 CDBDMM C[C@H]1CCN1c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001603910468 1175683326 /nfs/dbraw/zinc/68/33/26/1175683326.db2.gz OSOBADFWDPWZFQ-ZETCQYMHSA-N -1 1 260.257 1.374 20 5 CDBDMM C[C@H]1CCN1c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001603910468 1175683329 /nfs/dbraw/zinc/68/33/29/1175683329.db2.gz OSOBADFWDPWZFQ-ZETCQYMHSA-N -1 1 260.257 1.374 20 5 CDBDMM Cc1[n-]n(-c2cccc([N+](=O)[O-])c2C)c(=O)c1F ZINC000871950971 1165363445 /nfs/dbraw/zinc/36/34/45/1165363445.db2.gz MAGUVHMZSQMHMH-JTQLQIEISA-N -1 1 251.217 1.964 20 5 CDBDMM Cc1ncc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cn1 ZINC000803398369 797351139 /nfs/dbraw/zinc/35/11/39/797351139.db2.gz WAYGPWPDESZAPK-UHFFFAOYSA-N -1 1 289.247 1.756 20 5 CDBDMM O=C(OCc1c(F)cccc1[N+](=O)[O-])c1cn[n-]n1 ZINC000805603127 797809718 /nfs/dbraw/zinc/80/97/18/797809718.db2.gz IEFGWCCSSVLLIA-UHFFFAOYSA-N -1 1 266.188 1.209 20 5 CDBDMM Nc1cnc2c(cnn2-c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC001199814078 925876596 /nfs/dbraw/zinc/87/65/96/925876596.db2.gz DNEHURIMUOGBCM-UHFFFAOYSA-N -1 1 271.236 1.617 20 5 CDBDMM O=C(N[C@H]1CN2CCC1CC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC001120687164 937826131 /nfs/dbraw/zinc/82/61/31/937826131.db2.gz KLSLSXKYJWBSTH-LBPRGKRZSA-N -1 1 291.307 1.124 20 5 CDBDMM COCC(=O)c1ccc([O-])cc1O[C@H](C[N+](=O)[O-])C1CC1 ZINC001227172257 942145370 /nfs/dbraw/zinc/14/53/70/942145370.db2.gz NKDUNEADNAAALZ-CQSZACIVSA-N -1 1 295.291 1.655 20 5 CDBDMM C[C@@H](CC(=O)OC(C)(C)C)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228143083 942274691 /nfs/dbraw/zinc/27/46/91/942274691.db2.gz JHCRKBJCCNZEMF-ZETCQYMHSA-N -1 1 299.283 1.590 20 5 CDBDMM C[C@@H]1C[C@H](Oc2nc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC001228141910 942275024 /nfs/dbraw/zinc/27/50/24/942275024.db2.gz WUFVAXYQNGMASX-RNFRBKRXSA-N -1 1 255.230 1.037 20 5 CDBDMM O=c1[n-]cnc(O[C@@H]2CCCc3cccnc32)c1[N+](=O)[O-] ZINC001228143118 942275017 /nfs/dbraw/zinc/27/50/17/942275017.db2.gz JNHAUWOTTHTRCK-SECBINFHSA-N -1 1 288.263 1.942 20 5 CDBDMM O=c1[n-]cnc(O[C@H]2CCCc3cccnc32)c1[N+](=O)[O-] ZINC001228143120 942275109 /nfs/dbraw/zinc/27/51/09/942275109.db2.gz JNHAUWOTTHTRCK-VIFPVBQESA-N -1 1 288.263 1.942 20 5 CDBDMM C[C@@H](Cc1ccco1)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228141535 942275331 /nfs/dbraw/zinc/27/53/31/942275331.db2.gz RRYGQSSMDXJEME-ZETCQYMHSA-N -1 1 265.225 1.693 20 5 CDBDMM CC(C)[C@@H](O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001327462180 954892482 /nfs/dbraw/zinc/89/24/82/954892482.db2.gz XETGWMTUYUXTGZ-NSHDSACASA-N -1 1 269.253 1.474 20 5 CDBDMM CSCCCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605374383 1163540718 /nfs/dbraw/zinc/54/07/18/1163540718.db2.gz GQYZWXWXHBIURR-UHFFFAOYSA-N -1 1 294.340 1.940 20 5 CDBDMM CSCCCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605374383 1163540723 /nfs/dbraw/zinc/54/07/23/1163540723.db2.gz GQYZWXWXHBIURR-UHFFFAOYSA-N -1 1 294.340 1.940 20 5 CDBDMM C[C@@H](COCC1CC1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000593901740 342853501 /nfs/dbraw/zinc/85/35/01/342853501.db2.gz ZVSLEXNNGSFXPB-QMMMGPOBSA-N -1 1 295.295 1.240 20 5 CDBDMM CNC(=O)[C@H](C)CN(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093898651 342427131 /nfs/dbraw/zinc/42/71/31/342427131.db2.gz GQJHAJVMWNAMQQ-SECBINFHSA-N -1 1 281.312 1.114 20 5 CDBDMM CC(=O)[C@@H]1CCCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000597707460 343605719 /nfs/dbraw/zinc/60/57/19/343605719.db2.gz BKAYAUAAVULOKV-JTQLQIEISA-N -1 1 293.279 1.279 20 5 CDBDMM C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@H]1C ZINC000153762117 188101758 /nfs/dbraw/zinc/10/17/58/188101758.db2.gz VMNRUCHQXFXYGB-RKDXNWHRSA-N -1 1 279.296 1.814 20 5 CDBDMM C[C@H]1[C@H](CO)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339132679 359296544 /nfs/dbraw/zinc/29/65/44/359296544.db2.gz JTKXIKQSMWLJQQ-UWVGGRQHSA-N -1 1 266.297 1.503 20 5 CDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H]1CC12CC2 ZINC000519589850 361420330 /nfs/dbraw/zinc/42/03/30/361420330.db2.gz MHIYGEHCHGKAKP-QMMMGPOBSA-N -1 1 283.309 1.068 20 5 CDBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1C(N)=O ZINC000344601883 365521577 /nfs/dbraw/zinc/52/15/77/365521577.db2.gz KNOKYBYNGXKWTA-UHFFFAOYSA-N -1 1 288.263 1.583 20 5 CDBDMM C[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000179487955 372284298 /nfs/dbraw/zinc/28/42/98/372284298.db2.gz LIRWGTPSPLNAIW-SNVBAGLBSA-N -1 1 293.323 1.372 20 5 CDBDMM O=C(NC[C@H]1CCCS1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000155060668 374800341 /nfs/dbraw/zinc/80/03/41/374800341.db2.gz SCVXXBQNGUNMIN-MRVPVSSYSA-N -1 1 283.309 1.321 20 5 CDBDMM CC1=CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000280830852 375026986 /nfs/dbraw/zinc/02/69/86/375026986.db2.gz UEYDLGJYHQBCCU-UHFFFAOYSA-N -1 1 263.253 1.488 20 5 CDBDMM CCc1cnc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)o1 ZINC000356253570 375829129 /nfs/dbraw/zinc/82/91/29/375829129.db2.gz LDYDSYJOHPSTQC-UHFFFAOYSA-N -1 1 292.251 1.176 20 5 CDBDMM O=C(NCc1ccc(F)cn1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444986371 250202464 /nfs/dbraw/zinc/20/24/64/250202464.db2.gz MWBAKESRHDJBJJ-UHFFFAOYSA-N -1 1 292.226 1.160 20 5 CDBDMM CO[C@@H]1CCC[C@H]1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445146907 250208605 /nfs/dbraw/zinc/20/86/05/250208605.db2.gz ZJLSEWPECGELIL-GZMMTYOYSA-N -1 1 295.295 1.240 20 5 CDBDMM Cc1cc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)on1 ZINC000185722468 140045809 /nfs/dbraw/zinc/04/58/09/140045809.db2.gz BLIIEWDJSMJHKW-UHFFFAOYSA-N -1 1 297.292 1.370 20 5 CDBDMM C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000578002821 317448365 /nfs/dbraw/zinc/44/83/65/317448365.db2.gz MWKTVWQWUAAORE-VHSXEESVSA-N -1 1 299.352 1.847 20 5 CDBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nonc2C)c1 ZINC000727709315 574595661 /nfs/dbraw/zinc/59/56/61/574595661.db2.gz HONUUNFKSZKBSB-UHFFFAOYSA-N -1 1 278.224 1.547 20 5 CDBDMM O=[N+]([O-])c1cnn(-c2cccc(F)c2-c2nn[n-]n2)c1 ZINC000823651764 606175005 /nfs/dbraw/zinc/17/50/05/606175005.db2.gz PFIWOHAPXQVFDX-UHFFFAOYSA-N -1 1 275.203 1.100 20 5 CDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1C2CCC1CC2 ZINC000823612960 607165976 /nfs/dbraw/zinc/16/59/76/607165976.db2.gz HESIWQSLRWQURR-UHFFFAOYSA-N -1 1 287.283 1.301 20 5 CDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1C2CCC1CC2 ZINC000823612960 607165977 /nfs/dbraw/zinc/16/59/77/607165977.db2.gz HESIWQSLRWQURR-UHFFFAOYSA-N -1 1 287.283 1.301 20 5 CDBDMM COC(=O)c1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)ccn1 ZINC001210393267 1167360448 /nfs/dbraw/zinc/36/04/48/1167360448.db2.gz XAXVXHAUMGWDKT-UHFFFAOYSA-N -1 1 289.247 1.648 20 5 CDBDMM C[C@H]1CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C[C@@H]1C ZINC001590310966 1173345993 /nfs/dbraw/zinc/34/59/93/1173345993.db2.gz BJKWPVCUJMPUBZ-BQBZGAKWSA-N -1 1 294.340 1.929 20 5 CDBDMM C[C@H]1CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C[C@@H]1C ZINC001590310966 1173345996 /nfs/dbraw/zinc/34/59/96/1173345996.db2.gz BJKWPVCUJMPUBZ-BQBZGAKWSA-N -1 1 294.340 1.929 20 5 CDBDMM CO[C@@H](C)[C@H](C)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591324248 1173610010 /nfs/dbraw/zinc/61/00/10/1173610010.db2.gz LENJNQOKLWRQHP-YUMQZZPRSA-N -1 1 292.299 1.610 20 5 CDBDMM CO[C@@H](C)[C@H](C)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591324248 1173610015 /nfs/dbraw/zinc/61/00/15/1173610015.db2.gz LENJNQOKLWRQHP-YUMQZZPRSA-N -1 1 292.299 1.610 20 5 CDBDMM Cc1nc(-c2nnn[n-]2)n(Cc2ccccc2[N+](=O)[O-])c1C ZINC001592339445 1173862827 /nfs/dbraw/zinc/86/28/27/1173862827.db2.gz MRZCGZWEIUICKB-UHFFFAOYSA-N -1 1 299.294 1.637 20 5 CDBDMM Cc1nc(-c2nn[n-]n2)n(Cc2ccccc2[N+](=O)[O-])c1C ZINC001592339445 1173862831 /nfs/dbraw/zinc/86/28/31/1173862831.db2.gz MRZCGZWEIUICKB-UHFFFAOYSA-N -1 1 299.294 1.637 20 5 CDBDMM O=[N+]([O-])c1ccc(NC[C@H]2CCOC2)cc1-c1nnn[n-]1 ZINC001593477870 1174082971 /nfs/dbraw/zinc/08/29/71/1174082971.db2.gz IFHHURKLUCHENN-MRVPVSSYSA-N -1 1 290.283 1.223 20 5 CDBDMM O=[N+]([O-])c1ccc(NC[C@H]2CCOC2)cc1-c1nn[n-]n1 ZINC001593477870 1174082975 /nfs/dbraw/zinc/08/29/75/1174082975.db2.gz IFHHURKLUCHENN-MRVPVSSYSA-N -1 1 290.283 1.223 20 5 CDBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CCC[C@H](F)C1 ZINC001593488156 1174085351 /nfs/dbraw/zinc/08/53/51/1174085351.db2.gz POXAAIWABBYCPV-LURJTMIESA-N -1 1 298.303 1.775 20 5 CDBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CCC[C@H](F)C1 ZINC001593488156 1174085355 /nfs/dbraw/zinc/08/53/55/1174085355.db2.gz POXAAIWABBYCPV-LURJTMIESA-N -1 1 298.303 1.775 20 5 CDBDMM CC(C)[C@H](O)CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001603231046 1175520104 /nfs/dbraw/zinc/52/01/04/1175520104.db2.gz JMJCAPPEUHXYKC-SNVBAGLBSA-N -1 1 292.299 1.204 20 5 CDBDMM CC(C)[C@H](O)CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001603231046 1175520107 /nfs/dbraw/zinc/52/01/07/1175520107.db2.gz JMJCAPPEUHXYKC-SNVBAGLBSA-N -1 1 292.299 1.204 20 5 CDBDMM C[C@@H](CCO)CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609111039 1164777525 /nfs/dbraw/zinc/77/75/25/1164777525.db2.gz FKXFPVXHUPYKPJ-QMMMGPOBSA-N -1 1 292.299 1.205 20 5 CDBDMM COC(=O)c1c[n-]c(SCc2onc(C)c2[N+](=O)[O-])n1 ZINC000853020177 811281073 /nfs/dbraw/zinc/28/10/73/811281073.db2.gz YXLMFOQDKRXQLA-UHFFFAOYSA-N -1 1 298.280 1.693 20 5 CDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2C=CCC2)s1 ZINC000882561435 813359405 /nfs/dbraw/zinc/35/94/05/813359405.db2.gz SFZXYEYWAIAKGL-QMMMGPOBSA-N -1 1 288.350 1.901 20 5 CDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCF)cc1F ZINC000867223066 814648256 /nfs/dbraw/zinc/64/82/56/814648256.db2.gz RPCKACLFMJUJOH-UHFFFAOYSA-N -1 1 280.252 1.290 20 5 CDBDMM Cc1cc(S(=O)(=O)[N-][C@@H](C)CF)c([N+](=O)[O-])s1 ZINC000885408996 817396626 /nfs/dbraw/zinc/39/66/26/817396626.db2.gz KHEQAGFEPRZTEV-YFKPBYRVSA-N -1 1 282.318 1.601 20 5 CDBDMM Cc1ncccc1-c1noc(-c2[n-]cnc2[N+](=O)[O-])n1 ZINC001212893331 934880786 /nfs/dbraw/zinc/88/07/86/934880786.db2.gz YOWSQOKXXHVTCG-UHFFFAOYSA-N -1 1 272.224 1.738 20 5 CDBDMM NC(=O)c1ccncc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210394499 940688280 /nfs/dbraw/zinc/68/82/80/940688280.db2.gz 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C[C@@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1cncnc1 ZINC001228140676 942274416 /nfs/dbraw/zinc/27/44/16/942274416.db2.gz MDKFZIPORZSWCD-ZCFIWIBFSA-N -1 1 263.213 1.020 20 5 CDBDMM C[C@H](COc1nc[n-]c(=O)c1[N+](=O)[O-])Oc1ccccc1 ZINC001228141356 942275132 /nfs/dbraw/zinc/27/51/32/942275132.db2.gz PUQBOKUDBONHRX-SECBINFHSA-N -1 1 291.263 1.937 20 5 CDBDMM O=[N+]([O-])c1ccc([O-])c(O[C@@H]2CCOC[C@@H]2F)c1 ZINC001229400423 942465129 /nfs/dbraw/zinc/46/51/29/942465129.db2.gz VIYAEYIDWOXMLT-WCBMZHEXSA-N -1 1 257.217 1.806 20 5 CDBDMM O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1c[n-][nH]c1=O ZINC001306848415 956337270 /nfs/dbraw/zinc/33/72/70/956337270.db2.gz QLJHWEQKGITJNJ-UHFFFAOYSA-N -1 1 294.242 1.734 20 5 CDBDMM CCN(CCC(=O)[O-])Cc1cccnc1[N+](=O)[O-] ZINC001331965911 957371343 /nfs/dbraw/zinc/37/13/43/957371343.db2.gz LUSAEHXLFRZGRJ-UHFFFAOYSA-N -1 1 253.258 1.286 20 5 CDBDMM C[C@H]1C[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C[C@]1(C)C(=O)[O-] ZINC001599930503 985305089 /nfs/dbraw/zinc/30/50/89/985305089.db2.gz YVDWDQRNISEAGI-XPTSAGLGSA-N -1 1 294.307 1.843 20 5 CDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC1(C2CC2)CC1 ZINC000533097557 282084361 /nfs/dbraw/zinc/08/43/61/282084361.db2.gz OBDCFYHAKGOAHL-UHFFFAOYSA-N -1 1 297.336 1.458 20 5 CDBDMM CC1CC([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000135577906 361747526 /nfs/dbraw/zinc/74/75/26/361747526.db2.gz UBBLOFHAUKZAFU-UHFFFAOYSA-N -1 1 288.300 1.811 20 5 CDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC1=CCCC1 ZINC000595362664 343040194 /nfs/dbraw/zinc/04/01/94/343040194.db2.gz NYYBOKZSGITPCU-UHFFFAOYSA-N -1 1 283.309 1.378 20 5 CDBDMM CN(CCC1CC1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000154003625 188117142 /nfs/dbraw/zinc/11/71/42/188117142.db2.gz WIXZFQREQXOOBI-UHFFFAOYSA-N -1 1 265.269 1.568 20 5 CDBDMM O=C(NCC[C@@H]1CCCCO1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000181368686 357339586 /nfs/dbraw/zinc/33/95/86/357339586.db2.gz QBVNZZIKQACHBB-JTQLQIEISA-N -1 1 295.295 1.384 20 5 CDBDMM COC(C)(C)C[C@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193628939 358310556 /nfs/dbraw/zinc/31/05/56/358310556.db2.gz IEUOUAPQUDVSNN-QMMMGPOBSA-N -1 1 297.311 1.629 20 5 CDBDMM C[S@@](=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000347726293 359371075 /nfs/dbraw/zinc/37/10/75/359371075.db2.gz GCSGZPVWIUSNBC-HXUWFJFHSA-N -1 1 293.304 1.913 20 5 CDBDMM Cc1cc(NCCCc2nc(=O)[n-][nH]2)ccc1[N+](=O)[O-] ZINC000301537104 201055108 /nfs/dbraw/zinc/05/51/08/201055108.db2.gz MAGRYWMHZSBCIK-UHFFFAOYSA-N -1 1 277.284 1.359 20 5 CDBDMM C[C@@H](CN(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)[O-] ZINC000581315598 363977930 /nfs/dbraw/zinc/97/79/30/363977930.db2.gz KEGHQUCVGOWBJV-QMMMGPOBSA-N -1 1 292.295 1.624 20 5 CDBDMM COC(=O)c1cc(C)nc([N-]c2c[nH]cn2)c1[N+](=O)[O-] ZINC000582274573 364082385 /nfs/dbraw/zinc/08/23/85/364082385.db2.gz YHEYWODYTQXEFG-UHFFFAOYSA-N -1 1 277.240 1.552 20 5 CDBDMM COC1CCC(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000412424623 240207215 /nfs/dbraw/zinc/20/72/15/240207215.db2.gz VRKQWRBGQFNNRQ-UHFFFAOYSA-N -1 1 295.295 1.383 20 5 CDBDMM COC1(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCCC1 ZINC000295226087 369716814 /nfs/dbraw/zinc/71/68/14/369716814.db2.gz BBDCZSFCOMTXFI-UHFFFAOYSA-N -1 1 295.295 1.384 20 5 CDBDMM CCCCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000028812858 375327109 /nfs/dbraw/zinc/32/71/09/375327109.db2.gz AXKSBMMNXPXYMO-UHFFFAOYSA-N -1 1 253.258 1.203 20 5 CDBDMM O=C([O-])[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261596355 140359787 /nfs/dbraw/zinc/35/97/87/140359787.db2.gz OOEXORMPKMUSHG-VIFPVBQESA-N -1 1 268.244 1.640 20 5 CDBDMM C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCC(=O)[O-] ZINC000262664516 149092734 /nfs/dbraw/zinc/09/27/34/149092734.db2.gz OUOAKRTXZJBGIY-SECBINFHSA-N -1 1 295.295 1.328 20 5 CDBDMM COCC(C)(C)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000338962437 292203354 /nfs/dbraw/zinc/20/33/54/292203354.db2.gz VGPWWXCXJGYBCS-UHFFFAOYSA-N -1 1 254.286 1.815 20 5 CDBDMM C[C@]1(Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCOC1 ZINC001590149536 1173271578 /nfs/dbraw/zinc/27/15/78/1173271578.db2.gz SRMYSEAUDHMIIH-JTQLQIEISA-N -1 1 296.312 1.427 20 5 CDBDMM C[C@]1(Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCOC1 ZINC001590149536 1173271584 /nfs/dbraw/zinc/27/15/84/1173271584.db2.gz SRMYSEAUDHMIIH-JTQLQIEISA-N -1 1 296.312 1.427 20 5 CDBDMM CC1(C)CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000112727466 278213517 /nfs/dbraw/zinc/21/35/17/278213517.db2.gz HCFKAMJKIBVVJG-UHFFFAOYSA-N -1 1 279.296 1.958 20 5 CDBDMM CC[C@@H](CO)Nc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590448032 1173413195 /nfs/dbraw/zinc/41/31/95/1173413195.db2.gz IEUNCUUIPYZNDD-QMMMGPOBSA-N -1 1 292.299 1.266 20 5 CDBDMM CC[C@@H](CO)Nc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590448032 1173413200 /nfs/dbraw/zinc/41/32/00/1173413200.db2.gz IEUNCUUIPYZNDD-QMMMGPOBSA-N -1 1 292.299 1.266 20 5 CDBDMM Cc1cnc(SCCn2cc([N+](=O)[O-])cn2)[n-]c1=O ZINC000568664236 294081330 /nfs/dbraw/zinc/08/13/30/294081330.db2.gz KZKCGZYOLFETKO-UHFFFAOYSA-N -1 1 281.297 1.388 20 5 CDBDMM C[C@@H](C(=O)[N-]OC[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000762325864 576639686 /nfs/dbraw/zinc/63/96/86/576639686.db2.gz HJMWQDSHQCTSHX-GHMZBOCLSA-N -1 1 294.307 1.783 20 5 CDBDMM O=C(NCc1cccc(F)n1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000749296837 576942569 /nfs/dbraw/zinc/94/25/69/576942569.db2.gz HXSKUQCAGHTLIC-UHFFFAOYSA-N -1 1 292.226 1.160 20 5 CDBDMM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(O)(C(=O)[O-])CC1 ZINC000833548210 604728428 /nfs/dbraw/zinc/72/84/28/604728428.db2.gz BPOVCTFVUWLHCP-JTQLQIEISA-N -1 1 294.307 1.567 20 5 CDBDMM O=C([O-])[C@H]1CCCCN1Cc1cccnc1[N+](=O)[O-] ZINC000903401848 625988269 /nfs/dbraw/zinc/98/82/69/625988269.db2.gz CRMYYDGTJNROGW-SNVBAGLBSA-N -1 1 265.269 1.429 20 5 CDBDMM CN(C[Si](C)(C)C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000911726344 629443918 /nfs/dbraw/zinc/44/39/18/629443918.db2.gz IUTRARBCPRVBMG-UHFFFAOYSA-N -1 1 283.360 1.645 20 5 CDBDMM O=[N+]([O-])c1ccc(NC2(CO)CCC2)cc1-c1nnn[n-]1 ZINC001607081815 1164070848 /nfs/dbraw/zinc/07/08/48/1164070848.db2.gz HUWQIUQISXBFRJ-UHFFFAOYSA-N -1 1 290.283 1.102 20 5 CDBDMM O=[N+]([O-])c1ccc(NC2(CO)CCC2)cc1-c1nn[n-]n1 ZINC001607081815 1164070857 /nfs/dbraw/zinc/07/08/57/1164070857.db2.gz HUWQIUQISXBFRJ-UHFFFAOYSA-N -1 1 290.283 1.102 20 5 CDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC1CC(F)(F)C1 ZINC001607076982 1164071813 /nfs/dbraw/zinc/07/18/13/1164071813.db2.gz HAOMSUDFIMOAAY-UHFFFAOYSA-N -1 1 297.225 1.380 20 5 CDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC1CC(F)(F)C1 ZINC001607076982 1164071821 /nfs/dbraw/zinc/07/18/21/1164071821.db2.gz HAOMSUDFIMOAAY-UHFFFAOYSA-N -1 1 297.225 1.380 20 5 CDBDMM C[C@@H](CCO)CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001589834306 1173190881 /nfs/dbraw/zinc/19/08/81/1173190881.db2.gz KZFPUJQTCXLMED-QMMMGPOBSA-N -1 1 292.299 1.205 20 5 CDBDMM C[C@@H](CCO)CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001589834306 1173190884 /nfs/dbraw/zinc/19/08/84/1173190884.db2.gz KZFPUJQTCXLMED-QMMMGPOBSA-N -1 1 292.299 1.205 20 5 CDBDMM C[C@@H](O)[C@@H](C)Sc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001589994082 1173224985 /nfs/dbraw/zinc/22/49/85/1173224985.db2.gz DFXNWOOFEXEWPN-RNFRBKRXSA-N -1 1 295.324 1.636 20 5 CDBDMM C[C@@H](O)[C@@H](C)Sc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001589994082 1173224994 /nfs/dbraw/zinc/22/49/94/1173224994.db2.gz DFXNWOOFEXEWPN-RNFRBKRXSA-N -1 1 295.324 1.636 20 5 CDBDMM C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CO1 ZINC001590208416 1173293282 /nfs/dbraw/zinc/29/32/82/1173293282.db2.gz MMNFQXCWRYTJGW-CBAPKCEASA-N -1 1 290.283 1.364 20 5 CDBDMM C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CO1 ZINC001590208416 1173293293 /nfs/dbraw/zinc/29/32/93/1173293293.db2.gz MMNFQXCWRYTJGW-CBAPKCEASA-N -1 1 290.283 1.364 20 5 CDBDMM CC[C@@H]1C[C@H]1Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001590860285 1173531355 /nfs/dbraw/zinc/53/13/55/1173531355.db2.gz KXHBXKWZDVTNOR-RQJHMYQMSA-N -1 1 263.261 1.018 20 5 CDBDMM C[C@H]1COCCN1c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001591774706 1173700160 /nfs/dbraw/zinc/70/01/60/1173700160.db2.gz WCUIJGHXSISWKX-LURJTMIESA-N -1 1 296.312 1.062 20 5 CDBDMM C[C@H]1COCCN1c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001591774706 1173700164 /nfs/dbraw/zinc/70/01/64/1173700164.db2.gz WCUIJGHXSISWKX-LURJTMIESA-N -1 1 296.312 1.062 20 5 CDBDMM O=[N+]([O-])c1cc(N2CC[C@H]2C(F)F)ccc1-c1nn[n-]n1 ZINC001593472187 1174081565 /nfs/dbraw/zinc/08/15/65/1174081565.db2.gz XINJTINQNJLYSK-QMMMGPOBSA-N -1 1 296.237 1.619 20 5 CDBDMM O=C([O-])[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccc1 ZINC001602600883 1175316523 /nfs/dbraw/zinc/31/65/23/1175316523.db2.gz JMMISGZOTXYOLY-LLVKDONJSA-N -1 1 290.231 1.906 20 5 CDBDMM Cn1[n-]cc2c(=NC(=O)c3cccc([N+](=O)[O-])c3)ccnc1-2 ZINC000791165393 824814406 /nfs/dbraw/zinc/81/44/06/824814406.db2.gz PZNACPPPZPXDLZ-UHFFFAOYSA-N -1 1 297.274 1.502 20 5 CDBDMM COC(=O)c1ccc(C(=O)OCC(C)(C)[N+](=O)[O-])[n-]1 ZINC000851130155 826782188 /nfs/dbraw/zinc/78/21/88/826782188.db2.gz RURYXWBJCQASHU-UHFFFAOYSA-N -1 1 270.241 1.013 20 5 CDBDMM CCc1cc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])n[nH]1 ZINC000844211395 826815281 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O=[N+]([O-])c1cc(NC2CC=CC2)ccc1-c1nn[n-]n1 ZINC001593474111 1174081122 /nfs/dbraw/zinc/08/11/22/1174081122.db2.gz PJHLALQNBOWZPR-UHFFFAOYSA-N -1 1 272.268 1.905 20 5 CDBDMM Cc1ncc([N+](=O)[O-])n1CCC[N-]C(=O)C(F)(F)F ZINC000776841320 705936347 /nfs/dbraw/zinc/93/63/47/705936347.db2.gz UDIYMCIZUGUZFE-UHFFFAOYSA-N -1 1 280.206 1.168 20 5 CDBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CCC1 ZINC000780077509 709815833 /nfs/dbraw/zinc/81/58/33/709815833.db2.gz ZMIQFMHJIIKHTO-UHFFFAOYSA-N -1 1 279.248 1.826 20 5 CDBDMM O=C(Cc1ccccc1[N+](=O)[O-])[N-]OC/C=C\Cl ZINC000812402592 709882680 /nfs/dbraw/zinc/88/26/80/709882680.db2.gz GYIUFEZVSBWASD-UTCJRWHESA-N -1 1 270.672 1.938 20 5 CDBDMM Cc1nc([C@H](C)Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])n[nH]1 ZINC001610573377 1165360610 /nfs/dbraw/zinc/36/06/10/1165360610.db2.gz SQUKHPHUJRIEEL-YFKPBYRVSA-N -1 1 292.255 1.288 20 5 CDBDMM COC(=O)c1nn(C)cc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210394252 895241936 /nfs/dbraw/zinc/24/19/36/895241936.db2.gz 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Cc1c(CN[C@@H](CF)C(=O)[O-])cccc1[N+](=O)[O-] ZINC001600013627 1174341001 /nfs/dbraw/zinc/34/10/01/1174341001.db2.gz VGLYJTPNHVWIQO-VIFPVBQESA-N -1 1 256.233 1.416 20 5 CDBDMM Cc1[n-][nH]c(=O)c1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000590398621 342543746 /nfs/dbraw/zinc/54/37/46/342543746.db2.gz STBUBGGMIPVPAZ-UHFFFAOYSA-N -1 1 290.279 1.903 20 5 CDBDMM CSc1n[nH]c(NC(=O)c2cc([N+](=O)[O-])cn2C)n1 ZINC000609170442 342092885 /nfs/dbraw/zinc/09/28/85/342092885.db2.gz SPIUUVJAADGTQZ-UHFFFAOYSA-N -1 1 282.285 1.026 20 5 CDBDMM CCN(CCSC)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000592918671 342746076 /nfs/dbraw/zinc/74/60/76/342746076.db2.gz RIODHZHEPFLKSF-UHFFFAOYSA-N -1 1 285.325 1.521 20 5 CDBDMM C[C@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000157082209 290636380 /nfs/dbraw/zinc/63/63/80/290636380.db2.gz VOBFOPLYWOPERL-YUMQZZPRSA-N -1 1 265.269 1.614 20 5 CDBDMM CNC(C)(C)c1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1 ZINC000594653442 342934173 /nfs/dbraw/zinc/93/41/73/342934173.db2.gz 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CCO[C@H]1COCC[C@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339092483 390682992 /nfs/dbraw/zinc/68/29/92/390682992.db2.gz UJRFRDOAVAEEGV-OCCSQVGLSA-N -1 1 296.323 1.584 20 5 CDBDMM NC(=O)[C@@H]([N-]c1ncc([N+](=O)[O-])s1)c1ccc(F)cc1 ZINC000192532545 391011647 /nfs/dbraw/zinc/01/16/47/391011647.db2.gz YXBMCZDGSDQUNZ-VIFPVBQESA-N -1 1 296.283 1.829 20 5 CDBDMM CCO[C@@H]1CCC[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000456938443 391341965 /nfs/dbraw/zinc/34/19/65/391341965.db2.gz DWZMBLRQBVUMTB-MWLCHTKSSA-N -1 1 295.295 1.383 20 5 CDBDMM CC(C)[C@@]1(C)C[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000458111862 391784839 /nfs/dbraw/zinc/78/48/39/391784839.db2.gz GUHGVVZKRUQXIY-ZWNOBZJWSA-N -1 1 279.296 1.860 20 5 CDBDMM C[C@H]1COC(C)(C)CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000490145650 393199275 /nfs/dbraw/zinc/19/92/75/393199275.db2.gz MEILVLCYQLRJIA-QMMMGPOBSA-N -1 1 295.295 1.335 20 5 CDBDMM O=C([O-])[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000238100313 140261052 /nfs/dbraw/zinc/26/10/52/140261052.db2.gz RYNUNWQRPRETDU-LLVKDONJSA-N -1 1 268.244 1.783 20 5 CDBDMM O=C(Nc1nnc2ccccn21)c1ccc([N+](=O)[O-])[n-]1 ZINC000343470622 152193218 /nfs/dbraw/zinc/19/32/18/152193218.db2.gz LLHQIYGQTUTCQL-UHFFFAOYSA-N -1 1 272.224 1.218 20 5 CDBDMM Cn1cnc([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000349411317 154108840 /nfs/dbraw/zinc/10/88/40/154108840.db2.gz KOPINVAKHKOKBC-UHFFFAOYSA-N -1 1 281.659 1.629 20 5 CDBDMM CC(C)(O)C(C)(C)CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000393536833 270337751 /nfs/dbraw/zinc/33/77/51/270337751.db2.gz GYZUULFZLSQOPX-UHFFFAOYSA-N -1 1 297.311 1.222 20 5 CDBDMM O=C(NCCn1cc([N+](=O)[O-])cn1)c1c([O-])cccc1F ZINC000130286826 279634503 /nfs/dbraw/zinc/63/45/03/279634503.db2.gz BSJVJMHYAJMAID-UHFFFAOYSA-N -1 1 294.242 1.066 20 5 CDBDMM C[C@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000186753563 290436210 /nfs/dbraw/zinc/43/62/10/290436210.db2.gz OTXNJDVPKBMEIK-QMMMGPOBSA-N -1 1 265.269 1.568 20 5 CDBDMM COC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(C)C ZINC000569066766 294148616 /nfs/dbraw/zinc/14/86/16/294148616.db2.gz BJLQZPYXHJRONV-SECBINFHSA-N -1 1 283.284 1.096 20 5 CDBDMM Cc1ccsc1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000340947906 525857949 /nfs/dbraw/zinc/85/79/49/525857949.db2.gz JBQAODLERKGUJH-UHFFFAOYSA-N -1 1 293.304 1.995 20 5 CDBDMM CCOCCO[N-]C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000762278637 576636896 /nfs/dbraw/zinc/63/68/96/576636896.db2.gz ZYRUGVRJLKGXOD-JTQLQIEISA-N -1 1 282.296 1.783 20 5 CDBDMM O=[N+]([O-])c1cc(N2CCCCC2)ccc1-c1nn[n-]n1 ZINC000823634907 607345557 /nfs/dbraw/zinc/34/55/57/607345557.db2.gz NVXAZYFKFPKDGD-UHFFFAOYSA-N -1 1 274.284 1.765 20 5 CDBDMM COC[C@@](C)(CC(=O)[O-])NCc1csc([N+](=O)[O-])c1 ZINC000831586446 601133327 /nfs/dbraw/zinc/13/33/27/601133327.db2.gz XCEJEODCDFKWFI-LLVKDONJSA-N -1 1 288.325 1.626 20 5 CDBDMM CCCN(CC(=O)[O-])C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000829472940 604859561 /nfs/dbraw/zinc/85/95/61/604859561.db2.gz GEWAHKXGIGHIQX-UHFFFAOYSA-N -1 1 298.299 1.378 20 5 CDBDMM O=[N+]([O-])c1cccc(Cn2ccnc2-c2nnn[n-]2)c1 ZINC000826499717 608013114 /nfs/dbraw/zinc/01/31/14/608013114.db2.gz ULQZBUJRNQJSAD-UHFFFAOYSA-N -1 1 271.240 1.020 20 5 CDBDMM O=[N+]([O-])c1cccc(Cn2ccnc2-c2nn[n-]n2)c1 ZINC000826499717 608013115 /nfs/dbraw/zinc/01/31/15/608013115.db2.gz ULQZBUJRNQJSAD-UHFFFAOYSA-N -1 1 271.240 1.020 20 5 CDBDMM CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000903952005 626165214 /nfs/dbraw/zinc/16/52/14/626165214.db2.gz WILBWKUUPNOGHM-CHWSQXEVSA-N -1 1 294.307 1.902 20 5 CDBDMM CO[C@@H]1CC[C@H]1N(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000903952005 626165218 /nfs/dbraw/zinc/16/52/18/626165218.db2.gz WILBWKUUPNOGHM-CHWSQXEVSA-N -1 1 294.307 1.902 20 5 CDBDMM O=[N+]([O-])c1cc(S[C@H]2CCOC2)ccc1-c1nnn[n-]1 ZINC001607080555 1164070702 /nfs/dbraw/zinc/07/07/02/1164070702.db2.gz WOQRYUOBMBGGRM-QMMMGPOBSA-N -1 1 293.308 1.656 20 5 CDBDMM O=[N+]([O-])c1cc(S[C@H]2CCOC2)ccc1-c1nn[n-]n1 ZINC001607080555 1164070706 /nfs/dbraw/zinc/07/07/06/1164070706.db2.gz WOQRYUOBMBGGRM-QMMMGPOBSA-N -1 1 293.308 1.656 20 5 CDBDMM O=[N+]([O-])c1c(N[C@@H]2C=CCC2)cccc1-c1nn[n-]n1 ZINC001607078312 1164071675 /nfs/dbraw/zinc/07/16/75/1164071675.db2.gz UOHKCWCLWIXSRH-MRVPVSSYSA-N -1 1 272.268 1.905 20 5 CDBDMM O=[N+]([O-])c1c(N[C@@H]2C=CCC2)cccc1-c1nnn[n-]1 ZINC001607078312 1164071667 /nfs/dbraw/zinc/07/16/67/1164071667.db2.gz UOHKCWCLWIXSRH-MRVPVSSYSA-N -1 1 272.268 1.905 20 5 CDBDMM COc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)ncn1 ZINC001210393635 1167360089 /nfs/dbraw/zinc/36/00/89/1167360089.db2.gz XANVOCNUWVIGAP-UHFFFAOYSA-N -1 1 262.225 1.843 20 5 CDBDMM CC1=CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001590161907 1173277893 /nfs/dbraw/zinc/27/78/93/1173277893.db2.gz RDKSFTDUVQDZAV-UHFFFAOYSA-N -1 1 286.295 1.931 20 5 CDBDMM CC1=CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001590161907 1173277897 /nfs/dbraw/zinc/27/78/97/1173277897.db2.gz RDKSFTDUVQDZAV-UHFFFAOYSA-N -1 1 286.295 1.931 20 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1164070442 /nfs/dbraw/zinc/07/04/42/1164070442.db2.gz UGUSAJSJCARJKB-SNVBAGLBSA-N -1 1 272.268 1.739 20 5 CDBDMM O=[N+]([O-])c1cc(Nc2nccn3cnnc23)ccc1[O-] ZINC001210393386 1167360339 /nfs/dbraw/zinc/36/03/39/1167360339.db2.gz RTUKYOMYEXXFGU-UHFFFAOYSA-N -1 1 272.224 1.482 20 5 CDBDMM Cc1ccc(Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)cc1 ZINC001581202097 1172593597 /nfs/dbraw/zinc/59/35/97/1172593597.db2.gz IYJTYMCUXKJEBD-UHFFFAOYSA-N -1 1 285.267 1.328 20 5 CDBDMM CC(C)(O)CCNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589333415 1173138803 /nfs/dbraw/zinc/13/88/03/1173138803.db2.gz XLRKCUZGSRVWBE-UHFFFAOYSA-N -1 1 298.328 1.409 20 5 CDBDMM CC(C)(O)CCNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589333415 1173138808 /nfs/dbraw/zinc/13/88/08/1173138808.db2.gz XLRKCUZGSRVWBE-UHFFFAOYSA-N -1 1 298.328 1.409 20 5 CDBDMM Cn1nccc1[C@@H](NCc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC001601034720 1174710216 /nfs/dbraw/zinc/71/02/16/1174710216.db2.gz RFINGGOGNNHAHQ-GFCCVEGCSA-N -1 1 290.279 1.244 20 5 CDBDMM 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/nfs/dbraw/zinc/47/50/72/597475072.db2.gz MILPCGGQMJUINN-ZETCQYMHSA-N -1 1 256.233 1.639 20 5 CDBDMM CCOc1ccc([N+](=O)[O-])cc1CN(C)CC(=O)[O-] ZINC000818244736 601304569 /nfs/dbraw/zinc/30/45/69/601304569.db2.gz DKKGPDZWVOPNKZ-UHFFFAOYSA-N -1 1 268.269 1.510 20 5 CDBDMM Cc1[nH]nc(C(=O)N(CC(=O)[O-])C2CCCC2)c1[N+](=O)[O-] ZINC000832847602 601871690 /nfs/dbraw/zinc/87/16/90/601871690.db2.gz ODSKDVQZFVFOFH-UHFFFAOYSA-N -1 1 296.283 1.096 20 5 CDBDMM CC(C)[C@@H](CO)O[N-]C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000836907311 682433787 /nfs/dbraw/zinc/43/37/87/682433787.db2.gz SOQHYPASDUMBRF-GFCCVEGCSA-N -1 1 282.296 1.202 20 5 CDBDMM O=C(OCCC1OCCO1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000781193514 682687415 /nfs/dbraw/zinc/68/74/15/682687415.db2.gz LDVMHDSWPFWKBD-UHFFFAOYSA-N -1 1 283.236 1.220 20 5 CDBDMM O=C(OCc1ccc([N+](=O)[O-])c(F)c1)c1cn[n-]n1 ZINC000805609238 682820590 /nfs/dbraw/zinc/82/05/90/682820590.db2.gz OZMIHWVMMKZPMA-UHFFFAOYSA-N -1 1 266.188 1.209 20 5 CDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1Cc2c[nH]nc2C1 ZINC001607077087 1164070367 /nfs/dbraw/zinc/07/03/67/1164070367.db2.gz KJPLRDHUPZABHV-UHFFFAOYSA-N -1 1 298.266 1.018 20 5 CDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1Cc2c[nH]nc2C1 ZINC001607077087 1164070374 /nfs/dbraw/zinc/07/03/74/1164070374.db2.gz KJPLRDHUPZABHV-UHFFFAOYSA-N -1 1 298.266 1.018 20 5 CDBDMM O=[N+]([O-])c1cccc(CNc2ncncc2-c2nn[n-]n2)c1 ZINC001607084500 1164073853 /nfs/dbraw/zinc/07/38/53/1164073853.db2.gz JEMFZRSHMHJGHP-UHFFFAOYSA-N -1 1 298.266 1.177 20 5 CDBDMM O=C([O-])[C@H]1[C@@H]2CN(Cc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]21 ZINC001608816762 1164648546 /nfs/dbraw/zinc/64/85/46/1164648546.db2.gz DSKVJRQBRVZYDK-GDGBQDQQSA-N -1 1 280.255 1.496 20 5 CDBDMM O=C([O-])c1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])c(Cl)c1 ZINC001608905698 1164681835 /nfs/dbraw/zinc/68/18/35/1164681835.db2.gz NGZPMRONIDJYKT-HTRCEHHLSA-N -1 1 285.639 1.609 20 5 CDBDMM C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001638633525 1166861453 /nfs/dbraw/zinc/86/14/53/1166861453.db2.gz PYIOXNYCCGOMAK-SFKDOBOXSA-N -1 1 277.280 1.470 20 5 CDBDMM COc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)nc(OC)n1 ZINC001210393364 1167360552 /nfs/dbraw/zinc/36/05/52/1167360552.db2.gz QXHKBUXHRCDQSX-UHFFFAOYSA-N -1 1 292.251 1.851 20 5 CDBDMM CC12CC(C1)CN2c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590153508 1173275172 /nfs/dbraw/zinc/27/51/72/1173275172.db2.gz VEHVHPQLLXCIJX-UHFFFAOYSA-N -1 1 292.324 1.825 20 5 CDBDMM CC12CC(C1)CN2c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590153508 1173275176 /nfs/dbraw/zinc/27/51/76/1173275176.db2.gz VEHVHPQLLXCIJX-UHFFFAOYSA-N -1 1 292.324 1.825 20 5 CDBDMM Cc1cc(NC[C@H]2CCN2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001600281680 1174436245 /nfs/dbraw/zinc/43/62/45/1174436245.db2.gz YODGSUIRUXTRLN-SNVBAGLBSA-N -1 1 279.296 1.717 20 5 CDBDMM O=C([O-])[C@H](NCc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC001602209241 1175166828 /nfs/dbraw/zinc/16/68/28/1175166828.db2.gz FTOFXSGSVFUWDI-GFCCVEGCSA-N -1 1 287.275 1.905 20 5 CDBDMM CC(C)OCCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001603354628 1175546593 /nfs/dbraw/zinc/54/65/93/1175546593.db2.gz TWIQSVMQVDMTGS-UHFFFAOYSA-N -1 1 292.299 1.612 20 5 CDBDMM CC(C)OCCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001603354628 1175546597 /nfs/dbraw/zinc/54/65/97/1175546597.db2.gz TWIQSVMQVDMTGS-UHFFFAOYSA-N -1 1 292.299 1.612 20 5 CDBDMM Nc1ncn(-c2cc([O-])cc([N+](=O)[O-])c2)c2nccc1-2 ZINC001199801169 925868823 /nfs/dbraw/zinc/86/88/23/925868823.db2.gz AUHXHIKHHQTIIV-UHFFFAOYSA-N -1 1 271.236 1.568 20 5 CDBDMM Cc1c2c(nn1-c1cc([O-])cc([N+](=O)[O-])c1)ncnc2N ZINC001199802467 925868846 /nfs/dbraw/zinc/86/88/46/925868846.db2.gz QQPQCMOUMZXXFV-UHFFFAOYSA-N -1 1 286.251 1.102 20 5 CDBDMM O=c1[n-]cnc(O[C@H]2CCCC[C@H]2F)c1[N+](=O)[O-] ZINC001228140065 942273599 /nfs/dbraw/zinc/27/35/99/942273599.db2.gz FJOBTCXGKKWBML-RQJHMYQMSA-N -1 1 257.221 1.750 20 5 CDBDMM O=C([O-])c1cnc(N[C@H]2CN3CCC2CC3)c([N+](=O)[O-])c1 ZINC000162342770 959211853 /nfs/dbraw/zinc/21/18/53/959211853.db2.gz XRNSIKCADRBHIV-JTQLQIEISA-N -1 1 292.295 1.194 20 5 CDBDMM CCN(CC(=O)[O-])Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC001596224890 983615362 /nfs/dbraw/zinc/61/53/62/983615362.db2.gz IHLAKKMTFDWLLD-UHFFFAOYSA-N -1 1 296.279 1.368 20 5 CDBDMM CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C(C)(C)C(=O)[O-] ZINC001598079043 990391328 /nfs/dbraw/zinc/39/13/28/990391328.db2.gz QIJHMCMSPLLGHN-UHFFFAOYSA-N -1 1 282.252 1.236 20 5 CDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H](C2CCC2)C1 ZINC000591125712 342619027 /nfs/dbraw/zinc/61/90/27/342619027.db2.gz MSHIZWXFGVLVDL-SNVBAGLBSA-N -1 1 291.307 1.958 20 5 CDBDMM C[C@@H]1C[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000248835690 343999838 /nfs/dbraw/zinc/99/98/38/343999838.db2.gz NWJKCTJQXPLHHK-DIYOJNKTSA-N -1 1 295.295 1.381 20 5 CDBDMM C[C@H](CCO)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000593107744 342768961 /nfs/dbraw/zinc/76/89/61/342768961.db2.gz IBPFKKGGLWXOPU-SECBINFHSA-N -1 1 254.286 1.503 20 5 CDBDMM C[C@@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])N(C)C ZINC000602132995 344357565 /nfs/dbraw/zinc/35/75/65/344357565.db2.gz MLUWVEDQALEGPH-LURJTMIESA-N -1 1 287.703 1.842 20 5 CDBDMM O=C(Nc1cccc(CO)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000038003646 362797277 /nfs/dbraw/zinc/79/72/77/362797277.db2.gz QFCBUIBPBJVZTJ-UHFFFAOYSA-N -1 1 261.237 1.668 20 5 CDBDMM COCCS(=O)(=O)[N-]c1c(C)ccc([N+](=O)[O-])c1C ZINC000091054369 180092240 /nfs/dbraw/zinc/09/22/40/180092240.db2.gz OBKTVMNWHRXBSP-UHFFFAOYSA-N -1 1 288.325 1.600 20 5 CDBDMM Cc1nc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2[O-])n[nH]1 ZINC000286273204 356239843 /nfs/dbraw/zinc/23/98/43/356239843.db2.gz GJFQEDLJHCXAML-LURJTMIESA-N -1 1 291.267 1.218 20 5 CDBDMM CC1(C)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000360240444 356918239 /nfs/dbraw/zinc/91/82/39/356918239.db2.gz HYFGWQNSJBDXFM-SECBINFHSA-N -1 1 265.269 1.614 20 5 CDBDMM CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000567462001 358680237 /nfs/dbraw/zinc/68/02/37/358680237.db2.gz KEBQFEFZWPXPFJ-HTQZYQBOSA-N -1 1 271.298 1.067 20 5 CDBDMM COC(=O)C[C@H]1CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339042166 359275838 /nfs/dbraw/zinc/27/58/38/359275838.db2.gz FWKIHPSZPCUSPZ-LLVKDONJSA-N -1 1 294.307 1.828 20 5 CDBDMM O=C(Nc1ccncc1[O-])c1csc([N+](=O)[O-])c1 ZINC000358343542 360973485 /nfs/dbraw/zinc/97/34/85/360973485.db2.gz VIWLYUDBOATLPR-UHFFFAOYSA-N -1 1 265.250 1.431 20 5 CDBDMM Cc1cnc(SCc2c([N+](=O)[O-])ncn2C)[n-]c1=O ZINC000582312414 364083681 /nfs/dbraw/zinc/08/36/81/364083681.db2.gz XKKJJLBNIQFQPU-UHFFFAOYSA-N -1 1 281.297 1.425 20 5 CDBDMM CC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000031681051 365438775 /nfs/dbraw/zinc/43/87/75/365438775.db2.gz XHUXYPLFBKHIKA-VIFPVBQESA-N -1 1 279.296 1.545 20 5 CDBDMM CC/C=C/CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000296013627 371202482 /nfs/dbraw/zinc/20/24/82/371202482.db2.gz TZMFHDFREYMTJL-ONEGZZNKSA-N -1 1 251.242 1.391 20 5 CDBDMM C[C@@H]1CC[C@H](C)N1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193692392 372052098 /nfs/dbraw/zinc/05/20/98/372052098.db2.gz MMXNKUQFPNNTGH-OCAPTIKFSA-N -1 1 265.269 1.708 20 5 CDBDMM COCCn1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cn1 ZINC000298952511 374273778 /nfs/dbraw/zinc/27/37/78/374273778.db2.gz IKFAEAJDNVOISG-UHFFFAOYSA-N -1 1 279.256 1.018 20 5 CDBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nonc2C)c1 ZINC000282399876 375083578 /nfs/dbraw/zinc/08/35/78/375083578.db2.gz ABCNRRMUQLVEJY-UHFFFAOYSA-N -1 1 292.251 1.937 20 5 CDBDMM C[C@H]1CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000282117120 375065246 /nfs/dbraw/zinc/06/52/46/375065246.db2.gz XNPRSOYQUCXBTO-XVKPBYJWSA-N -1 1 265.269 1.614 20 5 CDBDMM CC(C)OCCCN(C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000265882480 190214766 /nfs/dbraw/zinc/21/47/66/190214766.db2.gz CFJBFFPEDZVVAX-UHFFFAOYSA-N -1 1 297.311 1.583 20 5 CDBDMM CO[C@@H](C)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000191216475 378007554 /nfs/dbraw/zinc/00/75/54/378007554.db2.gz VVLMCVSQJRWDIQ-ZETCQYMHSA-N -1 1 292.288 1.047 20 5 CDBDMM C[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(F)(F)F ZINC000445220409 250213096 /nfs/dbraw/zinc/21/30/96/250213096.db2.gz ULSXOBYKURUNIF-RXMQYKEDSA-N -1 1 293.201 1.624 20 5 CDBDMM O=C(NCCC(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444994162 250202438 /nfs/dbraw/zinc/20/24/38/250202438.db2.gz UPNFTCJYTKPZLX-UHFFFAOYSA-N -1 1 279.174 1.378 20 5 CDBDMM O=C(N[C@@H]1CC[C@H](F)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000360352491 390965633 /nfs/dbraw/zinc/96/56/33/390965633.db2.gz KBJWWIJMFZVUJJ-JGVFFNPUSA-N -1 1 269.232 1.316 20 5 CDBDMM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@H](C)S1 ZINC000525261252 392924419 /nfs/dbraw/zinc/92/44/19/392924419.db2.gz SNXDZTTUORNLPM-YUMQZZPRSA-N -1 1 297.336 1.661 20 5 CDBDMM O=C(NCc1ccc(F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186752475 140068482 /nfs/dbraw/zinc/06/84/82/140068482.db2.gz KGTHJJICHHUBLG-UHFFFAOYSA-N -1 1 291.238 1.765 20 5 CDBDMM O=C(NC[C@@H]1CCCCS1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000345987432 153017944 /nfs/dbraw/zinc/01/79/44/153017944.db2.gz HGCHONBKSFTXIR-VIFPVBQESA-N -1 1 297.336 1.711 20 5 CDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@H](CC2CC2)C1 ZINC000359671869 158331152 /nfs/dbraw/zinc/33/11/52/158331152.db2.gz FDNPGHQIZNXZCS-SNVBAGLBSA-N -1 1 291.307 1.958 20 5 CDBDMM C[C@@H]1SCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@H]1C ZINC000185688546 278072458 /nfs/dbraw/zinc/07/24/58/278072458.db2.gz UYKICSKYMMFOQY-YUMQZZPRSA-N -1 1 297.336 1.661 20 5 CDBDMM C[C@@H](CC1CC1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193580247 280003130 /nfs/dbraw/zinc/00/31/30/280003130.db2.gz HRRHSNVOEZAANR-ZETCQYMHSA-N -1 1 265.269 1.614 20 5 CDBDMM CO[C@@H](C)CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591467768 1173657120 /nfs/dbraw/zinc/65/71/20/1173657120.db2.gz ZMWHPUMCXJYHBF-ZETCQYMHSA-N -1 1 278.272 1.222 20 5 CDBDMM CO[C@@H](C)CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591467768 1173657126 /nfs/dbraw/zinc/65/71/26/1173657126.db2.gz ZMWHPUMCXJYHBF-ZETCQYMHSA-N -1 1 278.272 1.222 20 5 CDBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cnc[nH]1 ZINC000563672462 316353742 /nfs/dbraw/zinc/35/37/42/316353742.db2.gz NYVWYRYTKCDEMU-UHFFFAOYSA-N -1 1 282.281 1.427 20 5 CDBDMM CC(C)[C@H]1CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000412382614 535201274 /nfs/dbraw/zinc/20/12/74/535201274.db2.gz GCMGEFJMDNBLKX-SECBINFHSA-N -1 1 265.269 1.566 20 5 CDBDMM CC(C)(C)OC(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769045716 576324231 /nfs/dbraw/zinc/32/42/31/576324231.db2.gz HPYUFQPYKATODS-UHFFFAOYSA-N -1 1 297.263 1.799 20 5 CDBDMM Cc1nn(CN2CCC[C@@H]2CC(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000833017027 604979506 /nfs/dbraw/zinc/97/95/06/604979506.db2.gz RTGAKPNFOKNGPM-SNVBAGLBSA-N -1 1 282.300 1.305 20 5 CDBDMM O=[N+]([O-])c1ccc(Oc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826499239 608389335 /nfs/dbraw/zinc/38/93/35/608389335.db2.gz AUYMZZBORGVZIT-UHFFFAOYSA-N -1 1 285.223 1.357 20 5 CDBDMM O=[N+]([O-])c1ccc(Oc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826499239 608389337 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/nfs/dbraw/zinc/68/80/99/940688099.db2.gz DDMLSXLEUYDINA-UHFFFAOYSA-N -1 1 289.251 1.194 20 5 CDBDMM Cc1ncc(Nc2ccc([O-])c([N+](=O)[O-])c2)c(=O)[nH]1 ZINC001210395749 940688467 /nfs/dbraw/zinc/68/84/67/940688467.db2.gz FNAUIKQVDDNJFR-UHFFFAOYSA-N -1 1 262.225 1.848 20 5 CDBDMM CC1=C[C@H](Oc2cc([N+](=O)[O-])ccc2[O-])CC(=O)O1 ZINC001229398342 942464904 /nfs/dbraw/zinc/46/49/04/942464904.db2.gz SSOFNQCMPFCJNP-VIFPVBQESA-N -1 1 265.221 1.899 20 5 CDBDMM CCOC(=O)[C@@H](Oc1nc(C)cc([O-])c1[N+](=O)[O-])C1CC1 ZINC001231262363 942839772 /nfs/dbraw/zinc/83/97/72/942839772.db2.gz FTTDUDCZWMKXTM-NSHDSACASA-N -1 1 296.279 1.724 20 5 CDBDMM O=[N+]([O-])c1cc2nc(OC3COC3)[n-]c2cc1Cl ZINC001233501403 943603749 /nfs/dbraw/zinc/60/37/49/943603749.db2.gz ZDEJSGLLZHCSQV-UHFFFAOYSA-N -1 1 269.644 1.902 20 5 CDBDMM CN(C)C1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000592779061 342727417 /nfs/dbraw/zinc/72/74/17/342727417.db2.gz QUMDYERPLINBII-UHFFFAOYSA-N -1 1 299.714 1.340 20 5 CDBDMM CC[C@@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000076040204 342317877 /nfs/dbraw/zinc/31/78/77/342317877.db2.gz WXLLVGCDPFMBTN-SSDOTTSWSA-N -1 1 259.287 1.067 20 5 CDBDMM COc1cc(CNCCOC(C)C)c([N+](=O)[O-])cc1O ZINC000612610546 347223453 /nfs/dbraw/zinc/22/34/53/347223453.db2.gz QDGXNTABBJACQZ-UHFFFAOYSA-N -1 1 284.312 1.824 20 5 CDBDMM Cc1cc([N+](=O)[O-])ccc1NCCCc1nc(=O)[n-][nH]1 ZINC000301539609 201055474 /nfs/dbraw/zinc/05/54/74/201055474.db2.gz MXTCUFPRROEBEV-UHFFFAOYSA-N -1 1 277.284 1.359 20 5 CDBDMM Cc1c[n-]c(=NOC[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000276212512 193243976 /nfs/dbraw/zinc/24/39/76/193243976.db2.gz KNUWITRHXANEPB-SECBINFHSA-N -1 1 253.258 1.678 20 5 CDBDMM Cc1cnccc1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000194037198 372076946 /nfs/dbraw/zinc/07/69/46/372076946.db2.gz PIWKIFMNHZGSQZ-UHFFFAOYSA-N -1 1 288.263 1.329 20 5 CDBDMM CCC(CC)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)OC ZINC000293807418 372909660 /nfs/dbraw/zinc/90/96/60/372909660.db2.gz 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323967220 /nfs/dbraw/zinc/96/72/20/323967220.db2.gz USNXQQKVKSDNAB-UHFFFAOYSA-N -1 1 290.283 1.610 20 5 CDBDMM CC[C@@H](C)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188340383 535547511 /nfs/dbraw/zinc/54/75/11/535547511.db2.gz NNLHLSRPNZJCRT-SSDOTTSWSA-N -1 1 253.258 1.566 20 5 CDBDMM O=C([O-])[C@@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000062134569 597529390 /nfs/dbraw/zinc/52/93/90/597529390.db2.gz BMLVVYXVJQPGBA-MRVPVSSYSA-N -1 1 268.244 1.640 20 5 CDBDMM CC[C@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000820989569 606719207 /nfs/dbraw/zinc/71/92/07/606719207.db2.gz WLOVGYFMKICXDR-QMMMGPOBSA-N -1 1 289.299 1.406 20 5 CDBDMM CC[C@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000820989569 606719208 /nfs/dbraw/zinc/71/92/08/606719208.db2.gz WLOVGYFMKICXDR-QMMMGPOBSA-N -1 1 289.299 1.406 20 5 CDBDMM C[C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000820708978 607160684 /nfs/dbraw/zinc/16/06/84/607160684.db2.gz BBELSWFTMLYUTL-QMMMGPOBSA-N -1 1 289.299 1.406 20 5 CDBDMM C[C@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000820708978 607160685 /nfs/dbraw/zinc/16/06/85/607160685.db2.gz BBELSWFTMLYUTL-QMMMGPOBSA-N -1 1 289.299 1.406 20 5 CDBDMM Cc1ccc([N+](=O)[O-])c(Oc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826293245 608392184 /nfs/dbraw/zinc/39/21/84/608392184.db2.gz HRUXWNOCGXSQIN-UHFFFAOYSA-N -1 1 299.250 1.666 20 5 CDBDMM Cc1ccc([N+](=O)[O-])c(Oc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826293245 608392186 /nfs/dbraw/zinc/39/21/86/608392186.db2.gz HRUXWNOCGXSQIN-UHFFFAOYSA-N -1 1 299.250 1.666 20 5 CDBDMM Cc1cnc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)nc1 ZINC000808527548 695283866 /nfs/dbraw/zinc/28/38/66/695283866.db2.gz JOIMWCBKAJXTEZ-UHFFFAOYSA-N -1 1 289.247 1.756 20 5 CDBDMM O=C(OCCOCC1CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780067324 695885964 /nfs/dbraw/zinc/88/59/64/695885964.db2.gz GGFICBUOYHPIQS-UHFFFAOYSA-N -1 1 281.264 1.884 20 5 CDBDMM COc1cc([N+](=O)[O-])ccc1COC(=O)c1cn[n-]n1 ZINC000805605520 695916938 /nfs/dbraw/zinc/91/69/38/695916938.db2.gz JMGDBAJSEAYZAX-UHFFFAOYSA-N -1 1 278.224 1.079 20 5 CDBDMM O=C1CCCCC[C@H]1n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001607044931 1164067140 /nfs/dbraw/zinc/06/71/40/1164067140.db2.gz OUKMRTRGTIXZSX-SSDOTTSWSA-N -1 1 291.271 1.046 20 5 CDBDMM O=[N+]([O-])c1ccccc1CNc1cc(-c2nnn[n-]2)ncn1 ZINC001607084839 1164073207 /nfs/dbraw/zinc/07/32/07/1164073207.db2.gz BFWKWEODABEGET-UHFFFAOYSA-N -1 1 298.266 1.177 20 5 CDBDMM O=[N+]([O-])c1ccccc1CNc1cc(-c2nn[n-]n2)ncn1 ZINC001607084839 1164073212 /nfs/dbraw/zinc/07/32/12/1164073212.db2.gz BFWKWEODABEGET-UHFFFAOYSA-N -1 1 298.266 1.177 20 5 CDBDMM C[C@@H](CCO)Sc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609111260 1164774694 /nfs/dbraw/zinc/77/46/94/1164774694.db2.gz MZHMBEAIBYTCBF-ZETCQYMHSA-N -1 1 295.324 1.638 20 5 CDBDMM Nc1c2ncccc2nn1-c1ccc([O-])c([N+](=O)[O-])c1 ZINC001210392924 1167360356 /nfs/dbraw/zinc/36/03/56/1167360356.db2.gz PVDQXJUYUJIOCH-UHFFFAOYSA-N -1 1 271.236 1.617 20 5 CDBDMM CC(F)(F)CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589909015 1173201289 /nfs/dbraw/zinc/20/12/89/1173201289.db2.gz VMZQXQBBNNOMID-UHFFFAOYSA-N -1 1 290.255 1.904 20 5 CDBDMM CC(F)(F)CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589909015 1173201294 /nfs/dbraw/zinc/20/12/94/1173201294.db2.gz VMZQXQBBNNOMID-UHFFFAOYSA-N -1 1 290.255 1.904 20 5 CDBDMM CCCCNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590605697 1173474055 /nfs/dbraw/zinc/47/40/55/1173474055.db2.gz LQBGQUOQZIMUPE-UHFFFAOYSA-N -1 1 277.288 1.569 20 5 CDBDMM CCCCNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590605697 1173474061 /nfs/dbraw/zinc/47/40/61/1173474061.db2.gz LQBGQUOQZIMUPE-UHFFFAOYSA-N -1 1 277.288 1.569 20 5 CDBDMM CO[C@@H](C)[C@@H](C)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001591324142 1173609056 /nfs/dbraw/zinc/60/90/56/1173609056.db2.gz KHOPMCRJOLMJHN-RITPCOANSA-N -1 1 298.328 1.672 20 5 CDBDMM CO[C@@H](C)[C@@H](C)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001591324142 1173609059 /nfs/dbraw/zinc/60/90/59/1173609059.db2.gz KHOPMCRJOLMJHN-RITPCOANSA-N -1 1 298.328 1.672 20 5 CDBDMM O=[N+]([O-])c1cc(N2CC[C@H]2C2CC2)ccc1-c1nn[n-]n1 ZINC001593471659 1174082863 /nfs/dbraw/zinc/08/28/63/1174082863.db2.gz RETVNRIWFDGWCJ-NSHDSACASA-N -1 1 286.295 1.764 20 5 CDBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@H]1CCOC1 ZINC001593487228 1174083854 /nfs/dbraw/zinc/08/38/54/1174083854.db2.gz ABSPAZRZKVSYQV-YFKPBYRVSA-N -1 1 282.285 1.037 20 5 CDBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@H]1CCOC1 ZINC001593487228 1174083858 /nfs/dbraw/zinc/08/38/58/1174083858.db2.gz ABSPAZRZKVSYQV-YFKPBYRVSA-N -1 1 282.285 1.037 20 5 CDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C1CSC1 ZINC000702390587 724366364 /nfs/dbraw/zinc/36/63/64/724366364.db2.gz ITIYVMCTZQSNNI-UHFFFAOYSA-N -1 1 292.313 1.128 20 5 CDBDMM O=C(Cc1cccc(F)c1[N+](=O)[O-])[N-]OC1CCOCC1 ZINC000867493318 724127848 /nfs/dbraw/zinc/12/78/48/724127848.db2.gz SODULBUIWSGIDG-UHFFFAOYSA-N -1 1 298.270 1.503 20 5 CDBDMM C[C@@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 ZINC001609858345 1165116167 /nfs/dbraw/zinc/11/61/67/1165116167.db2.gz JKAJOJSLGKUOIB-RNCFNFMXSA-N -1 1 294.307 1.986 20 5 CDBDMM COc1ccncc1-c1noc(-c2[n-]cnc2[N+](=O)[O-])n1 ZINC001212894215 934883661 /nfs/dbraw/zinc/88/36/61/934883661.db2.gz VAJZFZLMLATPKR-UHFFFAOYSA-N -1 1 288.223 1.439 20 5 CDBDMM NC(=O)c1ncsc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393982 940688171 /nfs/dbraw/zinc/68/81/71/940688171.db2.gz KYDHIVCAFFBGMG-UHFFFAOYSA-N -1 1 280.265 1.599 20 5 CDBDMM Nc1[nH]c(=S)[n-]c(=O)c1Nc1cc(F)cc([N+](=O)[O-])c1 ZINC001216482784 940941628 /nfs/dbraw/zinc/94/16/28/940941628.db2.gz RXVVZUOCVHQLFZ-UHFFFAOYSA-N -1 1 297.271 1.844 20 5 CDBDMM O=c1cc[n-]c(O[C@H]2CCn3ccnc32)c1[N+](=O)[O-] ZINC001225663203 941895602 /nfs/dbraw/zinc/89/56/02/941895602.db2.gz ZZXKIMRVOXOMEU-QMMMGPOBSA-N -1 1 262.225 1.416 20 5 CDBDMM CCOC(=O)[C@H]1C[C@@H](Oc2nc(C)cc([O-])c2[N+](=O)[O-])C1 ZINC001231264614 942839733 /nfs/dbraw/zinc/83/97/33/942839733.db2.gz SPLNKLIDZBJKHW-DTORHVGOSA-N -1 1 296.279 1.724 20 5 CDBDMM Cc1ncc([N+](=O)[O-])cc1Nc1cc(=O)[n-]c(N(C)C)n1 ZINC001249546103 949663430 /nfs/dbraw/zinc/66/34/30/949663430.db2.gz KNNUAPGJBBHIGE-UHFFFAOYSA-N -1 1 290.283 1.603 20 5 CDBDMM N[C@@H](CC(=O)[O-])c1noc(-c2ccc([N+](=O)[O-])s2)n1 ZINC001594660745 956534487 /nfs/dbraw/zinc/53/44/87/956534487.db2.gz NKPXGIZUTOBNJY-BYPYZUCNSA-N -1 1 284.253 1.181 20 5 CDBDMM CC(C)(C)CC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)[O-] ZINC001588648035 959746859 /nfs/dbraw/zinc/74/68/59/959746859.db2.gz LEJXUENRNABNMP-HRDYMLBCSA-N -1 1 272.301 1.047 20 5 CDBDMM C[C@H]1CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[C@H]1O ZINC001594535102 986144912 /nfs/dbraw/zinc/14/49/12/986144912.db2.gz LPTLZTGTRIQAPV-TVQRCGJNSA-N -1 1 294.307 1.496 20 5 CDBDMM CC(C)(CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)CC(=O)[O-] ZINC001590746973 990544861 /nfs/dbraw/zinc/54/48/61/990544861.db2.gz LDWGVQNEYIJHPR-UHFFFAOYSA-N -1 1 296.279 1.531 20 5 CDBDMM C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001594166675 998633256 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CS[C@@H](C)CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591688957 1173680423 /nfs/dbraw/zinc/68/04/23/1173680423.db2.gz GBDIWEVKVVZWQH-ZETCQYMHSA-N -1 1 294.340 1.938 20 5 CDBDMM Cc1nc([N+](=O)[O-])cn1CCC(=O)[N-]Oc1ccccc1 ZINC000773471961 575813583 /nfs/dbraw/zinc/81/35/83/575813583.db2.gz UJYFRQLUMCHHGY-UHFFFAOYSA-N -1 1 290.279 1.600 20 5 CDBDMM O=C([O-])CC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC001601973131 1175092465 /nfs/dbraw/zinc/09/24/65/1175092465.db2.gz GNLODWXHAKXZJL-IJLUTSLNSA-N -1 1 292.291 1.374 20 5 CDBDMM O=[N+]([O-])c1ccc(N2CCSCC2)cc1-c1nnn[n-]1 ZINC000826498641 607452510 /nfs/dbraw/zinc/45/25/10/607452510.db2.gz DFCGKKSGHRXRQD-UHFFFAOYSA-N -1 1 292.324 1.328 20 5 CDBDMM O=[N+]([O-])c1ccc(N2CCSCC2)cc1-c1nn[n-]n1 ZINC000826498641 607452512 /nfs/dbraw/zinc/45/25/12/607452512.db2.gz DFCGKKSGHRXRQD-UHFFFAOYSA-N -1 1 292.324 1.328 20 5 CDBDMM Cc1nn(CN2C[C@H](C)[C@H](C(=O)[O-])C2)c(C)c1[N+](=O)[O-] ZINC000833016770 601813679 /nfs/dbraw/zinc/81/36/79/601813679.db2.gz GRUXFRJUZBOKCL-OIBJUYFYSA-N -1 1 282.300 1.018 20 5 CDBDMM CCCCN(C)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821060733 607160910 /nfs/dbraw/zinc/16/09/10/607160910.db2.gz JCVLQTCVECIGSY-UHFFFAOYSA-N -1 1 277.288 1.406 20 5 CDBDMM CCCCN(C)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821060733 607160912 /nfs/dbraw/zinc/16/09/12/607160912.db2.gz JCVLQTCVECIGSY-UHFFFAOYSA-N -1 1 277.288 1.406 20 5 CDBDMM O=[N+]([O-])c1cc(N[C@@H]2CCCOC2)ccc1-c1nn[n-]n1 ZINC001607079322 1164072089 /nfs/dbraw/zinc/07/20/89/1164072089.db2.gz GHWXEGBVMAPLNN-SECBINFHSA-N -1 1 290.283 1.366 20 5 CDBDMM COCCCCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591412337 1173649372 /nfs/dbraw/zinc/64/93/72/1173649372.db2.gz LCGNQLIAYCBDQK-UHFFFAOYSA-N -1 1 292.299 1.613 20 5 CDBDMM Cc1cc(N2CC=CCC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591999490 1173769058 /nfs/dbraw/zinc/76/90/58/1173769058.db2.gz GPAPOOLOPSPQCZ-UHFFFAOYSA-N -1 1 286.295 1.850 20 5 CDBDMM Cc1cc(N2CC=CCC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591999490 1173769063 /nfs/dbraw/zinc/76/90/63/1173769063.db2.gz GPAPOOLOPSPQCZ-UHFFFAOYSA-N -1 1 286.295 1.850 20 5 CDBDMM O=[N+]([O-])c1c(NC2CSC2)cccc1-c1nnn[n-]1 ZINC001593464913 1174078102 /nfs/dbraw/zinc/07/81/02/1174078102.db2.gz AWVFLCSVLQDZPO-UHFFFAOYSA-N -1 1 278.297 1.302 20 5 CDBDMM O=[N+]([O-])c1c(NC2CSC2)cccc1-c1nn[n-]n1 ZINC001593464913 1174078104 /nfs/dbraw/zinc/07/81/04/1174078104.db2.gz AWVFLCSVLQDZPO-UHFFFAOYSA-N -1 1 278.297 1.302 20 5 CDBDMM Cc1ccc(OC(=O)[C@@H]2CC2[N+](=O)[O-])c(C(=O)[O-])c1 ZINC001600465881 1174485874 /nfs/dbraw/zinc/48/58/74/1174485874.db2.gz MCDXQLGXVVBITK-VXNVDRBHSA-N -1 1 265.221 1.264 20 5 CDBDMM O=C([O-])c1ccccc1COC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001602470678 1175249990 /nfs/dbraw/zinc/24/99/90/1175249990.db2.gz GBKNYZPFDHWUOP-NXEZZACHSA-N -1 1 265.221 1.093 20 5 CDBDMM C[C@@H](F)CCNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001603598174 1175573243 /nfs/dbraw/zinc/57/32/43/1175573243.db2.gz GPFMVAZBYCFWSC-ZCFIWIBFSA-N -1 1 295.278 1.517 20 5 CDBDMM C[C@@H](F)CCNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001603598174 1175573247 /nfs/dbraw/zinc/57/32/47/1175573247.db2.gz GPFMVAZBYCFWSC-ZCFIWIBFSA-N -1 1 295.278 1.517 20 5 CDBDMM C[C@H]1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001603909926 1175682132 /nfs/dbraw/zinc/68/21/32/1175682132.db2.gz QAADONCIPURNHI-ZETCQYMHSA-N -1 1 289.299 1.203 20 5 CDBDMM C[C@H]1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001603909926 1175682135 /nfs/dbraw/zinc/68/21/35/1175682135.db2.gz QAADONCIPURNHI-ZETCQYMHSA-N -1 1 289.299 1.203 20 5 CDBDMM C[C@@H]1COC[C@@H]1Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001603949154 1175694346 /nfs/dbraw/zinc/69/43/46/1175694346.db2.gz VACOZBNWRLLNRN-XCBNKYQSSA-N -1 1 290.283 1.222 20 5 CDBDMM Cc1noc([C@@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000780071164 738880438 /nfs/dbraw/zinc/88/04/38/738880438.db2.gz DMKHHDLSLAWDED-ZCFIWIBFSA-N -1 1 293.235 1.910 20 5 CDBDMM CSCCO[N-]C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000846054133 738936760 /nfs/dbraw/zinc/93/67/60/738936760.db2.gz DNAOKADURMUMCQ-UHFFFAOYSA-N -1 1 288.300 1.687 20 5 CDBDMM Cn1nccc1COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780069626 737015656 /nfs/dbraw/zinc/01/56/56/737015656.db2.gz QVDLIJJZRAPPMC-UHFFFAOYSA-N -1 1 277.236 1.391 20 5 CDBDMM CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C[C@H](O)C1CC1 ZINC001610117773 1165222521 /nfs/dbraw/zinc/22/25/21/1165222521.db2.gz DEFYVNPWFRRDMR-ZDUSSCGKSA-N -1 1 294.307 1.496 20 5 CDBDMM CCOC(=O)[C@H]1C[C@@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225664155 903630464 /nfs/dbraw/zinc/63/04/64/903630464.db2.gz KYLHRHUXLCLMHY-OCAPTIKFSA-N -1 1 282.252 1.416 20 5 CDBDMM Nc1c(Br)cnn1-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001199801204 925868670 /nfs/dbraw/zinc/86/86/70/925868670.db2.gz BPFGNNRUSRNLEH-UHFFFAOYSA-N -1 1 299.084 1.831 20 5 CDBDMM Cc1ccnc(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)c1 ZINC001212893224 934880922 /nfs/dbraw/zinc/88/09/22/934880922.db2.gz SBVCEKFIDHRDOG-UHFFFAOYSA-N -1 1 272.224 1.738 20 5 CDBDMM NC(=O)c1ccc(F)nc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210396249 940688132 /nfs/dbraw/zinc/68/81/32/940688132.db2.gz PGERNNJORVLURD-UHFFFAOYSA-N -1 1 292.226 1.677 20 5 CDBDMM COC(=O)[C@H]1C[C@@H](Oc2[n-]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225662433 941896055 /nfs/dbraw/zinc/89/60/55/941896055.db2.gz SXEZATOWEDKNSK-KNVOCYPGSA-N -1 1 268.225 1.026 20 5 CDBDMM C[C@@H]1COCC[C@@H]1Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225664985 941897076 /nfs/dbraw/zinc/89/70/76/941897076.db2.gz VZCGXLARRWYUOO-APPZFPTMSA-N -1 1 254.242 1.499 20 5 CDBDMM Cc1cc([O-])c(O[C@@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC001229749493 942524634 /nfs/dbraw/zinc/52/46/34/942524634.db2.gz BJEPITGZJBZVCT-NSHDSACASA-N -1 1 296.323 1.708 20 5 CDBDMM Cc1cc([O-])c([N+](=O)[O-])c(OC[C@H]2CCCCO2)n1 ZINC001231260198 942837461 /nfs/dbraw/zinc/83/74/61/942837461.db2.gz SCCJLKSKEZCCOP-SECBINFHSA-N -1 1 268.269 1.952 20 5 CDBDMM C=C/C=C/CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001306891232 956346275 /nfs/dbraw/zinc/34/62/75/956346275.db2.gz VGPHLFJZDCQZLZ-ONEGZZNKSA-N -1 1 263.253 1.558 20 5 CDBDMM Cc1nc(SCc2cn(C)nc2[N+](=O)[O-])[n-]c(=O)c1C ZINC001307322813 956392455 /nfs/dbraw/zinc/39/24/55/956392455.db2.gz CEVPLKHXLKVDQN-UHFFFAOYSA-N -1 1 295.324 1.733 20 5 CDBDMM O=C([O-])C[C@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC001331966815 957371292 /nfs/dbraw/zinc/37/12/92/957371292.db2.gz YXLMLIBJGNTVEP-SNVBAGLBSA-N -1 1 279.296 1.677 20 5 CDBDMM CO[C@H]1C[C@@H](N(C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001599326287 997670024 /nfs/dbraw/zinc/67/00/24/997670024.db2.gz CKFYDNRJJDGLGJ-TXEJJXNPSA-N -1 1 294.307 1.902 20 5 CDBDMM CC(C)N1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000162365652 342073172 /nfs/dbraw/zinc/07/31/72/342073172.db2.gz ZDZXNWOOYGHHIW-UHFFFAOYSA-N -1 1 294.311 1.218 20 5 CDBDMM O=C(Nc1cccc(-n2cnnn2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000340571245 361837685 /nfs/dbraw/zinc/83/76/85/361837685.db2.gz PIXIKRTWGCDBIB-UHFFFAOYSA-N -1 1 299.250 1.151 20 5 CDBDMM CC1(C)C[C@]1(C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000598384834 343782231 /nfs/dbraw/zinc/78/22/31/343782231.db2.gz GFHBRDKCLAZSBM-LBPRGKRZSA-N -1 1 265.269 1.614 20 5 CDBDMM CC(C)C1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000611081010 346601186 /nfs/dbraw/zinc/60/11/86/346601186.db2.gz ZCODZSRFFUCGGD-UHFFFAOYSA-N -1 1 265.269 1.423 20 5 CDBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCC1 ZINC000611117559 346612787 /nfs/dbraw/zinc/61/27/87/346612787.db2.gz XTNXDIMTUZUKBF-QMMMGPOBSA-N -1 1 285.325 1.457 20 5 CDBDMM C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000175837115 357384718 /nfs/dbraw/zinc/38/47/18/357384718.db2.gz ORBXPENZPAXARS-ZETCQYMHSA-N -1 1 251.242 1.320 20 5 CDBDMM CC[C@]1(C)CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCO1 ZINC000189036540 357964613 /nfs/dbraw/zinc/96/46/13/357964613.db2.gz XVUZJRXCWOLHMA-CYBMUJFWSA-N -1 1 295.295 1.337 20 5 CDBDMM CC(C)(C)C[C@H](O)CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193594955 358306860 /nfs/dbraw/zinc/30/68/60/358306860.db2.gz SODAPKCTQVNUGF-VIFPVBQESA-N -1 1 297.311 1.222 20 5 CDBDMM C[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000179487967 372284533 /nfs/dbraw/zinc/28/45/33/372284533.db2.gz LIRWGTPSPLNAIW-JTQLQIEISA-N -1 1 293.323 1.372 20 5 CDBDMM O=C(N[C@H]1CCCSC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278191764 374834322 /nfs/dbraw/zinc/83/43/22/374834322.db2.gz OSWFKBUDHOXPJB-QMMMGPOBSA-N -1 1 283.309 1.321 20 5 CDBDMM CCSCCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000282099224 375065896 /nfs/dbraw/zinc/06/58/96/375065896.db2.gz DMZTUBPCPMJYNY-UHFFFAOYSA-N -1 1 285.325 1.568 20 5 CDBDMM CC(C)[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCO1 ZINC000445147144 250208005 /nfs/dbraw/zinc/20/80/05/250208005.db2.gz CSBICZXGGBWTGS-NSHDSACASA-N -1 1 295.295 1.192 20 5 CDBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(C)(F)F ZINC000452458182 252069260 /nfs/dbraw/zinc/06/92/60/252069260.db2.gz OCMRPXMITAFEBL-RXMQYKEDSA-N -1 1 275.211 1.469 20 5 CDBDMM O=C(NC1CCSCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193503151 393358209 /nfs/dbraw/zinc/35/82/09/393358209.db2.gz AJZJWOKQZOWFPH-UHFFFAOYSA-N -1 1 283.309 1.321 20 5 CDBDMM C[C@@]1(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC=CCC1 ZINC000458356070 279171647 /nfs/dbraw/zinc/17/16/47/279171647.db2.gz YSLHJGQWAODBLE-CYBMUJFWSA-N -1 1 277.280 1.924 20 5 CDBDMM C[C@H](CC1CC1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193580262 280003177 /nfs/dbraw/zinc/00/31/77/280003177.db2.gz HRRHSNVOEZAANR-SSDOTTSWSA-N -1 1 265.269 1.614 20 5 CDBDMM Cc1nn(CN2C[C@H](C)[C@@](C)(C(=O)[O-])C2)c(C)c1[N+](=O)[O-] ZINC001600788919 1174610175 /nfs/dbraw/zinc/61/01/75/1174610175.db2.gz KRUSTAJANORRAM-SDBXPKJASA-N -1 1 296.327 1.408 20 5 CDBDMM CS[C@@H]1CC[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000770542463 575463316 /nfs/dbraw/zinc/46/33/16/575463316.db2.gz AHLLVJIBBWYYHW-RKDXNWHRSA-N -1 1 297.336 1.709 20 5 CDBDMM O=C([O-])c1ccc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)o1 ZINC001602617048 1175326110 /nfs/dbraw/zinc/32/61/10/1175326110.db2.gz NGXBIDZWSQFOQD-UHFFFAOYSA-N -1 1 280.192 1.571 20 5 CDBDMM O=C([O-])[C@@H](O)C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000833771303 604979520 /nfs/dbraw/zinc/97/95/20/604979520.db2.gz ZUNYEEYSLKHYFJ-ZDUSSCGKSA-N -1 1 294.307 1.252 20 5 CDBDMM C[C@@H](CF)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001605397165 1163549244 /nfs/dbraw/zinc/54/92/44/1163549244.db2.gz SBFKPMILDDKBOM-BYPYZUCNSA-N -1 1 272.265 1.606 20 5 CDBDMM C[C@@H](CF)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001605397165 1163549247 /nfs/dbraw/zinc/54/92/47/1163549247.db2.gz SBFKPMILDDKBOM-BYPYZUCNSA-N -1 1 272.265 1.606 20 5 CDBDMM Cc1n[nH]cc1Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001606014620 1163743460 /nfs/dbraw/zinc/74/34/60/1163743460.db2.gz PCQMHDUSKVHGBK-UHFFFAOYSA-N -1 1 286.255 1.550 20 5 CDBDMM O=[N+]([O-])c1ccc(COc2cccnc2-c2nnn[n-]2)cc1 ZINC001607082493 1164071959 /nfs/dbraw/zinc/07/19/59/1164071959.db2.gz XPKHTGZXJQPMPA-UHFFFAOYSA-N -1 1 298.262 1.749 20 5 CDBDMM O=[N+]([O-])c1ccc(COc2cccnc2-c2nn[n-]n2)cc1 ZINC001607082493 1164071967 /nfs/dbraw/zinc/07/19/67/1164071967.db2.gz XPKHTGZXJQPMPA-UHFFFAOYSA-N -1 1 298.262 1.749 20 5 CDBDMM CCOCCCNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590810414 1173517608 /nfs/dbraw/zinc/51/76/08/1173517608.db2.gz NKTBUWNDLSXIAN-UHFFFAOYSA-N -1 1 298.328 1.675 20 5 CDBDMM CCOCCCNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590810414 1173517615 /nfs/dbraw/zinc/51/76/15/1173517615.db2.gz NKTBUWNDLSXIAN-UHFFFAOYSA-N -1 1 298.328 1.675 20 5 CDBDMM Cc1c(Oc2nnccc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591830499 1173712435 /nfs/dbraw/zinc/71/24/35/1173712435.db2.gz KEYDLKBFFGFYLD-UHFFFAOYSA-N -1 1 299.250 1.666 20 5 CDBDMM Cc1c(Oc2nnccc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591830499 1173712440 /nfs/dbraw/zinc/71/24/40/1173712440.db2.gz KEYDLKBFFGFYLD-UHFFFAOYSA-N -1 1 299.250 1.666 20 5 CDBDMM O=[N+]([O-])c1ccccc1Oc1cc(-c2nnn[n-]2)ncn1 ZINC001593486759 1174083545 /nfs/dbraw/zinc/08/35/45/1174083545.db2.gz KVCOSAGBQOMUDZ-UHFFFAOYSA-N -1 1 285.223 1.357 20 5 CDBDMM 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O=[N+]([O-])c1ccc(NCc2cccnc2)cc1-c1nn[n-]n1 ZINC000826499175 607449374 /nfs/dbraw/zinc/44/93/74/607449374.db2.gz YPRPQBWSHBBBPJ-UHFFFAOYSA-N -1 1 297.278 1.782 20 5 CDBDMM CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C(=O)[O-])C1 ZINC000818244787 601304302 /nfs/dbraw/zinc/30/43/02/601304302.db2.gz QESVGOSJCZKLEH-JTQLQIEISA-N -1 1 294.307 1.900 20 5 CDBDMM Cc1nn(CN2C[C@@H](C)[C@H](C(=O)[O-])C2)c(C)c1[N+](=O)[O-] ZINC000833016769 601813434 /nfs/dbraw/zinc/81/34/34/601813434.db2.gz GRUXFRJUZBOKCL-GMSGAONNSA-N -1 1 282.300 1.018 20 5 CDBDMM CN(CC(=O)[O-])Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000820568798 604541564 /nfs/dbraw/zinc/54/15/64/604541564.db2.gz CRLSFZNLQHMZTM-UHFFFAOYSA-N -1 1 290.222 1.713 20 5 CDBDMM O=[N+]([O-])c1ccn(-c2ccc(Cl)c(-c3nnn[n-]3)n2)n1 ZINC000823647975 606461272 /nfs/dbraw/zinc/46/12/72/606461272.db2.gz RFXHYYOUXRVBQK-UHFFFAOYSA-N -1 1 292.646 1.009 20 5 CDBDMM O=[N+]([O-])c1ccn(-c2ccc(Cl)c(-c3nn[n-]n3)n2)n1 ZINC000823647975 606461273 /nfs/dbraw/zinc/46/12/73/606461273.db2.gz RFXHYYOUXRVBQK-UHFFFAOYSA-N -1 1 292.646 1.009 20 5 CDBDMM C[C@@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])[C@@H]1C ZINC000820728120 606714898 /nfs/dbraw/zinc/71/48/98/606714898.db2.gz SZZHJTIKXLSMEB-HTQZYQBOSA-N -1 1 289.299 1.405 20 5 CDBDMM C[C@@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])[C@@H]1C ZINC000820728120 606714900 /nfs/dbraw/zinc/71/49/00/606714900.db2.gz SZZHJTIKXLSMEB-HTQZYQBOSA-N -1 1 289.299 1.405 20 5 CDBDMM CC1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000820728147 607160714 /nfs/dbraw/zinc/16/07/14/607160714.db2.gz UHARCMAIZGASQS-UHFFFAOYSA-N -1 1 289.299 1.406 20 5 CDBDMM CC1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000820728147 607160716 /nfs/dbraw/zinc/16/07/16/607160716.db2.gz UHARCMAIZGASQS-UHFFFAOYSA-N -1 1 289.299 1.406 20 5 CDBDMM Cc1[n-]n(-c2ccc([N+](=O)[O-])cn2)c(=O)c1C(C)C ZINC000899347566 622194802 /nfs/dbraw/zinc/19/48/02/622194802.db2.gz YHANHELKUFGRFY-NSHDSACASA-N -1 1 262.269 1.985 20 5 CDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCC[C@H](F)C1 ZINC001609599582 1164998753 /nfs/dbraw/zinc/99/87/53/1164998753.db2.gz LNPJDBXMTZCGPB-QMMMGPOBSA-N -1 1 292.274 1.713 20 5 CDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCC[C@H](F)C1 ZINC001609599582 1164998757 /nfs/dbraw/zinc/99/87/57/1164998757.db2.gz LNPJDBXMTZCGPB-QMMMGPOBSA-N -1 1 292.274 1.713 20 5 CDBDMM C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CO1 ZINC001590207413 1173291342 /nfs/dbraw/zinc/29/13/42/1173291342.db2.gz RWHMLGAAVLXCOE-CBAPKCEASA-N -1 1 290.283 1.364 20 5 CDBDMM C[C@@H]1C[C@H](n2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)C[C@H](C)O1 ZINC001591778815 1173699934 /nfs/dbraw/zinc/69/99/34/1173699934.db2.gz MMYVHQPPPWPOBB-JIGDXULJSA-N -1 1 293.287 1.100 20 5 CDBDMM O=[N+]([O-])c1c(NCC2CCC2)cccc1-c1nnn[n-]1 ZINC001593466024 1174078579 /nfs/dbraw/zinc/07/85/79/1174078579.db2.gz UOKBYOAZBIFEMD-UHFFFAOYSA-N -1 1 274.284 1.987 20 5 CDBDMM O=[N+]([O-])c1c(NCC2CCC2)cccc1-c1nn[n-]n1 ZINC001593466024 1174078585 /nfs/dbraw/zinc/07/85/85/1174078585.db2.gz UOKBYOAZBIFEMD-UHFFFAOYSA-N -1 1 274.284 1.987 20 5 CDBDMM O=C([O-])CCN(Cc1ccccc1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001602008851 1175109513 /nfs/dbraw/zinc/10/95/13/1175109513.db2.gz PQGLPLRZQZUSMT-VXGBXAGGSA-N -1 1 292.291 1.155 20 5 CDBDMM O=C([O-])[C@H]1CCCC[C@@H]1OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001602607908 1175319000 /nfs/dbraw/zinc/31/90/00/1175319000.db2.gz AFKPSJJSIQJGQA-CBAPKCEASA-N -1 1 282.252 1.723 20 5 CDBDMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000820403207 772154005 /nfs/dbraw/zinc/15/40/05/772154005.db2.gz SDHPBGBEMQHMGD-UHFFFAOYSA-N -1 1 277.240 1.166 20 5 CDBDMM CC[C@@H](C)CONC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000816975929 772375548 /nfs/dbraw/zinc/37/55/48/772375548.db2.gz SFMKXEYUDNBXES-SSDOTTSWSA-N -1 1 269.257 1.403 20 5 CDBDMM CSC[C@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610265051 773105144 /nfs/dbraw/zinc/10/51/44/773105144.db2.gz XRVCTKPTZAHQFY-ZETCQYMHSA-N -1 1 291.354 1.020 20 5 CDBDMM CCOCCO[N-]C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000845958857 773642245 /nfs/dbraw/zinc/64/22/45/773642245.db2.gz STVPYTMMPAWHSF-UHFFFAOYSA-N -1 1 286.259 1.361 20 5 CDBDMM NCc1nccnc1[N-]c1ncnc(Cl)c1[N+](=O)[O-] ZINC001171441251 910547083 /nfs/dbraw/zinc/54/70/83/910547083.db2.gz NOMPOJFIAXSEKH-UHFFFAOYSA-N -1 1 281.663 1.031 20 5 CDBDMM CC(=O)N1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229398198 942464501 /nfs/dbraw/zinc/46/45/01/942464501.db2.gz RKBOOBNCFCMSOC-NSHDSACASA-N -1 1 280.280 1.690 20 5 CDBDMM COCC(COC)Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229749882 942526771 /nfs/dbraw/zinc/52/67/71/942526771.db2.gz IMAYYORIOBITHK-UHFFFAOYSA-N -1 1 271.269 1.649 20 5 CDBDMM COC(=O)c1n[nH]cc1[N-]c1ncc(Cl)cc1[N+](=O)[O-] ZINC001158632681 1163309274 /nfs/dbraw/zinc/30/92/74/1163309274.db2.gz YSOQYJCJKMXTOV-UHFFFAOYSA-N -1 1 297.658 1.897 20 5 CDBDMM O=[N+]([O-])c1ccc(OCCSCc2nn[n-]n2)cc1 ZINC000600570313 342233311 /nfs/dbraw/zinc/23/33/11/342233311.db2.gz SINHTRDQUPCWOH-UHFFFAOYSA-N -1 1 281.297 1.420 20 5 CDBDMM C[C@@H]1[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])CCC[N@H+]1C ZINC000436831598 362243527 /nfs/dbraw/zinc/24/35/27/362243527.db2.gz XRDLHLSLOQVKSK-KOLCDFICSA-N -1 1 293.323 1.513 20 5 CDBDMM Cc1cc(=O)[n-]c([C@@H](C)Oc2cccnc2[N+](=O)[O-])n1 ZINC000128341595 187364822 /nfs/dbraw/zinc/36/48/22/187364822.db2.gz LJHBXUSPRCADMP-MRVPVSSYSA-N -1 1 276.252 1.934 20 5 CDBDMM C[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CC1 ZINC000610261738 346234467 /nfs/dbraw/zinc/23/44/67/346234467.db2.gz DKEMRQYHIZZFBV-QMMMGPOBSA-N -1 1 285.325 1.314 20 5 CDBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H](CCO)C1 ZINC000093105712 351316265 /nfs/dbraw/zinc/31/62/65/351316265.db2.gz XHZSSICCXKSYHB-LLVKDONJSA-N -1 1 280.324 1.895 20 5 CDBDMM CC(C)(O)c1cnc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)s1 ZINC000291972347 198121728 /nfs/dbraw/zinc/12/17/28/198121728.db2.gz TXVXTMZCRFCEHW-UHFFFAOYSA-N -1 1 296.308 1.859 20 5 CDBDMM C[C@H]1C[C@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCO1 ZINC000271625621 191247820 /nfs/dbraw/zinc/24/78/20/191247820.db2.gz XRWGWDGOCURZCI-DTWKUNHWSA-N -1 1 295.295 1.240 20 5 CDBDMM C[C@@H]1[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000295692935 199622240 /nfs/dbraw/zinc/62/22/40/199622240.db2.gz WWDWMJCDGIOCHM-NKWVEPMBSA-N -1 1 251.242 1.176 20 5 CDBDMM CC[C@H](C)[C@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185701130 357568464 /nfs/dbraw/zinc/56/84/64/357568464.db2.gz PWJGNVNWFSKGON-YUMQZZPRSA-N -1 1 267.285 1.860 20 5 CDBDMM C[C@@H]1[C@H](C)N(C)CCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000408085696 357818312 /nfs/dbraw/zinc/81/83/12/357818312.db2.gz BZRBKCMUQPQJSH-VHSXEESVSA-N -1 1 293.323 1.465 20 5 CDBDMM CCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000101568357 358851493 /nfs/dbraw/zinc/85/14/93/358851493.db2.gz UUNBSRGUSJSROC-UHFFFAOYSA-N -1 1 278.717 1.937 20 5 CDBDMM COCCC(C)(C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000338871297 359190824 /nfs/dbraw/zinc/19/08/24/359190824.db2.gz ZLKHCNZOBKSQGH-UHFFFAOYSA-N -1 1 283.284 1.240 20 5 CDBDMM CCN(CCC(=O)[O-])Cc1cc([N+](=O)[O-])ccc1OC ZINC000038024596 364474296 /nfs/dbraw/zinc/47/42/96/364474296.db2.gz NTPAYFGYCKXMLS-UHFFFAOYSA-N -1 1 282.296 1.900 20 5 CDBDMM O=C(NCCC[C@H]1CCOC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000456770391 364774136 /nfs/dbraw/zinc/77/41/36/364774136.db2.gz PEFAILDRQKSSFV-VIFPVBQESA-N -1 1 295.295 1.242 20 5 CDBDMM COC(C)(C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000174185177 379392081 /nfs/dbraw/zinc/39/20/81/379392081.db2.gz DEXFUGJXMIHFQY-MRVPVSSYSA-N -1 1 297.311 1.629 20 5 CDBDMM O=C(C=Cc1ccccc1[N+](=O)[O-])N=c1ccc(O)n[n-]1 ZINC000492645382 253264183 /nfs/dbraw/zinc/26/41/83/253264183.db2.gz GLXSBYYLQSQRHU-ALCCZGGFSA-N -1 1 286.247 1.164 20 5 CDBDMM O=C(C=Cc1ccccc1[N+](=O)[O-])N=c1ccc([O-])n[nH]1 ZINC000492645382 253264185 /nfs/dbraw/zinc/26/41/85/253264185.db2.gz GLXSBYYLQSQRHU-ALCCZGGFSA-N -1 1 286.247 1.164 20 5 CDBDMM CC[C@H](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)OC ZINC000295647276 391102989 /nfs/dbraw/zinc/10/29/89/391102989.db2.gz GENQDGFBNHIWNF-KWQFWETISA-N -1 1 297.311 1.486 20 5 CDBDMM COC(=O)CC1(NCc2cc([O-])ccc2[N+](=O)[O-])CCC1 ZINC000347668148 391920854 /nfs/dbraw/zinc/92/08/54/391920854.db2.gz VBYVBCGVWCZBSN-UHFFFAOYSA-N -1 1 294.307 1.876 20 5 CDBDMM C[C@@H](Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1)C(C)(C)C ZINC001589904257 1173201059 /nfs/dbraw/zinc/20/10/59/1173201059.db2.gz JTRUVSJSPXKEPK-ZETCQYMHSA-N -1 1 279.304 1.654 20 5 CDBDMM COCC[C@@]1(NCc2cc([O-])ccc2[N+](=O)[O-])CCOC1 ZINC000339131168 292662469 /nfs/dbraw/zinc/66/24/69/292662469.db2.gz RNQIMKQDLWGYPA-CQSZACIVSA-N -1 1 296.323 1.586 20 5 CDBDMM O=C([N-]N1CCCC1=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000770534692 575461232 /nfs/dbraw/zinc/46/12/32/575461232.db2.gz DUUYJRPQCXOLEF-UHFFFAOYSA-N -1 1 283.671 1.515 20 5 CDBDMM C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000833554307 604674434 /nfs/dbraw/zinc/67/44/34/604674434.db2.gz REWLHADQOCDGIE-CYBMUJFWSA-N -1 1 280.280 1.597 20 5 CDBDMM CC1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000224011142 620618856 /nfs/dbraw/zinc/61/88/56/620618856.db2.gz RIEGESQWCITXTA-UHFFFAOYSA-N -1 1 288.300 1.812 20 5 CDBDMM O=[N+]([O-])c1ccc(NCc2ccnc(-c3nnn[n-]3)c2)nc1 ZINC001607082108 1164071598 /nfs/dbraw/zinc/07/15/98/1164071598.db2.gz KBJYMLKDAAOUCC-UHFFFAOYSA-N -1 1 298.266 1.177 20 5 CDBDMM O=[N+]([O-])c1ccc(NCc2ccnc(-c3nn[n-]n3)c2)nc1 ZINC001607082108 1164071606 /nfs/dbraw/zinc/07/16/06/1164071606.db2.gz KBJYMLKDAAOUCC-UHFFFAOYSA-N -1 1 298.266 1.177 20 5 CDBDMM O=[N+]([O-])c1ccc(COc2cnc(-c3nn[n-]n3)nc2)cc1 ZINC001609601319 1164999649 /nfs/dbraw/zinc/99/96/49/1164999649.db2.gz HJMPYCFZKQLWIR-UHFFFAOYSA-N -1 1 299.250 1.144 20 5 CDBDMM O=[N+]([O-])c1ccc(N2CC[C@@H](F)C2)cc1-c1nnn[n-]1 ZINC001609601853 1165001130 /nfs/dbraw/zinc/00/11/30/1165001130.db2.gz DHMKCHUUDAZULE-SSDOTTSWSA-N -1 1 278.247 1.323 20 5 CDBDMM O=[N+]([O-])c1ccc(N2CC[C@@H](F)C2)cc1-c1nn[n-]n1 ZINC001609601853 1165001133 /nfs/dbraw/zinc/00/11/33/1165001133.db2.gz DHMKCHUUDAZULE-SSDOTTSWSA-N -1 1 278.247 1.323 20 5 CDBDMM CC(C)N(C)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001589678726 1173167325 /nfs/dbraw/zinc/16/73/25/1173167325.db2.gz RMRCOAXTSVWEOT-UHFFFAOYSA-N -1 1 262.273 1.620 20 5 CDBDMM O=[N+]([O-])c1ccc(NC[C@@H]2CCOC2)cc1-c1nnn[n-]1 ZINC001593477871 1174082776 /nfs/dbraw/zinc/08/27/76/1174082776.db2.gz IFHHURKLUCHENN-QMMMGPOBSA-N -1 1 290.283 1.223 20 5 CDBDMM O=[N+]([O-])c1ccc(NC[C@@H]2CCOC2)cc1-c1nn[n-]n1 ZINC001593477871 1174082782 /nfs/dbraw/zinc/08/27/82/1174082782.db2.gz IFHHURKLUCHENN-QMMMGPOBSA-N -1 1 290.283 1.223 20 5 CDBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1S[C@H]1CCOC1 ZINC001593488881 1174085537 /nfs/dbraw/zinc/08/55/37/1174085537.db2.gz XOTVGHXKPJOTAP-YFKPBYRVSA-N -1 1 299.337 1.717 20 5 CDBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1S[C@H]1CCOC1 ZINC001593488881 1174085544 /nfs/dbraw/zinc/08/55/44/1174085544.db2.gz XOTVGHXKPJOTAP-YFKPBYRVSA-N -1 1 299.337 1.717 20 5 CDBDMM C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000780914042 774286342 /nfs/dbraw/zinc/28/63/42/774286342.db2.gz RURTZGNUTQHMHJ-DTWKUNHWSA-N -1 1 285.325 1.457 20 5 CDBDMM CCCCCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000025343220 775508717 /nfs/dbraw/zinc/50/87/17/775508717.db2.gz JWGWWLCAQAGBSO-UHFFFAOYSA-N -1 1 267.285 1.593 20 5 CDBDMM COC(=O)[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])C(F)(F)F ZINC001225663065 903625822 /nfs/dbraw/zinc/62/58/22/903625822.db2.gz YTFMPTRJMABBSG-ZCFIWIBFSA-N -1 1 296.157 1.178 20 5 CDBDMM COC(=O)[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])C(F)(F)F ZINC001225663065 903625834 /nfs/dbraw/zinc/62/58/34/903625834.db2.gz YTFMPTRJMABBSG-ZCFIWIBFSA-N -1 1 296.157 1.178 20 5 CDBDMM O=c1cc[n-]c(O[C@H]2CCOC[C@@H]2F)c1[N+](=O)[O-] ZINC001225664138 903630433 /nfs/dbraw/zinc/63/04/33/903630433.db2.gz KDXFTIHZNJASLM-XPUUQOCRSA-N -1 1 258.205 1.201 20 5 CDBDMM Nc1cc(N2CCCC2)nn1-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001199828632 925895098 /nfs/dbraw/zinc/89/50/98/925895098.db2.gz PEVJYZGFKDEOJC-UHFFFAOYSA-N -1 1 289.295 1.669 20 5 CDBDMM Nc1ccc(-c2nnnn2-c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001201222832 926235892 /nfs/dbraw/zinc/23/58/92/926235892.db2.gz SUDQRLIRVJBZJH-UHFFFAOYSA-N -1 1 298.262 1.525 20 5 CDBDMM C[C@H](O)CCCC(=O)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225666140 941897094 /nfs/dbraw/zinc/89/70/94/941897094.db2.gz GRAKHCIRELVSPA-ZETCQYMHSA-N -1 1 270.241 1.152 20 5 CDBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1OC1CCC1 ZINC001226307087 941983612 /nfs/dbraw/zinc/98/36/12/941983612.db2.gz DRRZOKQZHAAJSX-UHFFFAOYSA-N -1 1 282.252 1.803 20 5 CDBDMM Cc1cc([O-])c([N+](=O)[O-])c(O[C@H]2C=C(C)OC(=O)C2)n1 ZINC001231259073 942836400 /nfs/dbraw/zinc/83/64/00/942836400.db2.gz FCKIKLPOGFNEHU-QMMMGPOBSA-N -1 1 280.236 1.602 20 5 CDBDMM Cc1ncc([N+](=O)[O-])cc1[N-]c1noc2nccnc12 ZINC001249544117 949658953 /nfs/dbraw/zinc/65/89/53/949658953.db2.gz FHGBNTFJKRYOPM-UHFFFAOYSA-N -1 1 272.224 1.973 20 5 CDBDMM CC[C@@]1(O)CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001595396207 980961301 /nfs/dbraw/zinc/96/13/01/980961301.db2.gz STFOHPAUGHIUCD-CQSZACIVSA-N -1 1 294.307 1.640 20 5 CDBDMM C[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CC1 ZINC000618360831 349445497 /nfs/dbraw/zinc/44/54/97/349445497.db2.gz MZACBDLIQKOUIV-SSDOTTSWSA-N -1 1 265.269 1.471 20 5 CDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC(C(F)F)C1 ZINC000618383552 349450601 /nfs/dbraw/zinc/45/06/01/349450601.db2.gz JMHIJSNDWXMCLG-UHFFFAOYSA-N -1 1 273.195 1.033 20 5 CDBDMM C[C@H](C[C@H]1CCOC1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618383218 342532294 /nfs/dbraw/zinc/53/22/94/342532294.db2.gz BBVCAJWCSLTRFR-RKDXNWHRSA-N -1 1 295.295 1.240 20 5 CDBDMM Cc1[n-][nH]c(=O)c1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000590396710 342543242 /nfs/dbraw/zinc/54/32/42/342543242.db2.gz SGNABFIOWGAFNL-UHFFFAOYSA-N -1 1 276.252 1.513 20 5 CDBDMM O=C(N[C@@H]1CCC[C@@H](F)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000592817514 342731336 /nfs/dbraw/zinc/73/13/36/342731336.db2.gz XDXHSDUYHJKNEN-RKDXNWHRSA-N -1 1 283.259 1.706 20 5 CDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC(F)(F)C1 ZINC000593789632 342840056 /nfs/dbraw/zinc/84/00/56/342840056.db2.gz NOOBIJQWASURFZ-UHFFFAOYSA-N -1 1 287.222 1.567 20 5 CDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1C[C@@H]2CCCC[C@@H]21 ZINC000598741569 343893570 /nfs/dbraw/zinc/89/35/70/343893570.db2.gz BPKVRBDPYZLVAA-KWQFWETISA-N -1 1 277.280 1.710 20 5 CDBDMM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1csc([N+](=O)[O-])c1 ZINC000092942723 351301873 /nfs/dbraw/zinc/30/18/73/351301873.db2.gz SGFMJMUZQQQHIS-VXNVDRBHSA-N -1 1 270.310 1.951 20 5 CDBDMM O=C(N[C@H]1CC[C@H](F)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000360351407 357078725 /nfs/dbraw/zinc/07/87/25/357078725.db2.gz GZTKLECDHPLRRZ-BQBZGAKWSA-N -1 1 269.232 1.316 20 5 CDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C1CCCC1 ZINC000047670837 357163149 /nfs/dbraw/zinc/16/31/49/357163149.db2.gz ZLKVVDPAALCTKT-UHFFFAOYSA-N -1 1 288.300 1.955 20 5 CDBDMM CC(C)n1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000280680897 357917654 /nfs/dbraw/zinc/91/76/54/357917654.db2.gz FVQPDHJWKAXLDM-UHFFFAOYSA-N -1 1 263.257 1.953 20 5 CDBDMM CSCCCCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000194030482 358339636 /nfs/dbraw/zinc/33/96/36/358339636.db2.gz AWYMZBKPENAQAF-UHFFFAOYSA-N -1 1 299.352 1.959 20 5 CDBDMM CCCN(CCO)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338908329 359214398 /nfs/dbraw/zinc/21/43/98/359214398.db2.gz RDMMFXYZQJSMDY-UHFFFAOYSA-N -1 1 254.286 1.505 20 5 CDBDMM COC(C)(C)c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000267902555 363712410 /nfs/dbraw/zinc/71/24/10/363712410.db2.gz YVTAYUVHKOJOOU-UHFFFAOYSA-N -1 1 252.230 1.854 20 5 CDBDMM CC(C)[C@@H](C)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000276540511 193373866 /nfs/dbraw/zinc/37/38/66/193373866.db2.gz NPBVFBMECDTFCJ-MRVPVSSYSA-N -1 1 267.285 1.812 20 5 CDBDMM CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@H]1CC1(C)C ZINC000429572956 374599251 /nfs/dbraw/zinc/59/92/51/374599251.db2.gz JUEXSQWBNXKBAI-VIFPVBQESA-N -1 1 265.269 1.566 20 5 CDBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N1CCCc2n[nH]cc21 ZINC000280132001 374981651 /nfs/dbraw/zinc/98/16/51/374981651.db2.gz PJEMCAZZARHNGH-UHFFFAOYSA-N -1 1 261.241 1.239 20 5 CDBDMM Cc1cnc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC000074537248 376886734 /nfs/dbraw/zinc/88/67/34/376886734.db2.gz YYXQKEYCOSPJPQ-UHFFFAOYSA-N -1 1 297.292 1.370 20 5 CDBDMM Cc1csc(N(C)C(=O)c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000345194590 377504540 /nfs/dbraw/zinc/50/45/40/377504540.db2.gz RTVAIDNSLXMVKV-UHFFFAOYSA-N -1 1 266.282 1.964 20 5 CDBDMM CC[C@]1(C)CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000445009574 250204269 /nfs/dbraw/zinc/20/42/69/250204269.db2.gz SIMCGIUONNFNEA-CYBMUJFWSA-N -1 1 279.296 1.958 20 5 CDBDMM CC[C@@](C)(CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)OC ZINC000452711330 252147091 /nfs/dbraw/zinc/14/70/91/252147091.db2.gz DNYIJWFKSAXODV-LBPRGKRZSA-N -1 1 283.284 1.240 20 5 CDBDMM Cc1nc([N-]C(=O)c2ccc([N+](=O)[O-])s2)n[nH]1 ZINC000069737864 391999064 /nfs/dbraw/zinc/99/90/64/391999064.db2.gz KIGNAKHJIXMURX-UHFFFAOYSA-N -1 1 253.243 1.335 20 5 CDBDMM O=C(NCc1cccc(O)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000194463255 392187956 /nfs/dbraw/zinc/18/79/56/392187956.db2.gz VRIHQHPKCPACDI-UHFFFAOYSA-N -1 1 289.247 1.331 20 5 CDBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccnc1 ZINC000186788069 140069245 /nfs/dbraw/zinc/06/92/45/140069245.db2.gz HDDLKMXDUXANEO-MRVPVSSYSA-N -1 1 288.263 1.581 20 5 CDBDMM CO[C@@]1(C)CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000279625003 285915895 /nfs/dbraw/zinc/91/58/95/285915895.db2.gz CTAYWSQTEPFREK-ZDUSSCGKSA-N -1 1 295.295 1.337 20 5 CDBDMM C[C@@H]1CSC[C@H]1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000359657508 288436692 /nfs/dbraw/zinc/43/66/92/288436692.db2.gz KXTBKTYJDNQKHI-HZGVNTEJSA-N -1 1 283.309 1.177 20 5 CDBDMM CN(CC[C@@H]1CCCO1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000346133830 153065158 /nfs/dbraw/zinc/06/51/58/153065158.db2.gz KYPAEYCXXJSQJU-JTQLQIEISA-N -1 1 295.295 1.337 20 5 CDBDMM COc1ccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])c([O-])c1 ZINC000549349516 289964555 /nfs/dbraw/zinc/96/45/55/289964555.db2.gz BCKUKYDORRLMBR-UHFFFAOYSA-N -1 1 278.224 1.284 20 5 CDBDMM CN(CCC(=O)[O-])Cc1cc(F)ccc1[N+](=O)[O-] ZINC000037932990 596994359 /nfs/dbraw/zinc/99/43/59/596994359.db2.gz HRZKZHKXUYXKAN-UHFFFAOYSA-N -1 1 256.233 1.640 20 5 CDBDMM O=C([O-])[C@@H](O)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000833771115 604980964 /nfs/dbraw/zinc/98/09/64/604980964.db2.gz VSGOLLVDIIXTRX-ZDUSSCGKSA-N -1 1 294.307 1.252 20 5 CDBDMM C[C@@H]1CCC[C@@H]1Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820698447 606708082 /nfs/dbraw/zinc/70/80/82/606708082.db2.gz USCWTYGVZIZQKD-APPZFPTMSA-N -1 1 289.299 1.770 20 5 CDBDMM C[C@@H]1CCC[C@@H]1Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820698447 606708084 /nfs/dbraw/zinc/70/80/84/606708084.db2.gz USCWTYGVZIZQKD-APPZFPTMSA-N -1 1 289.299 1.770 20 5 CDBDMM C[C@](CO)(NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC001604194719 1163121560 /nfs/dbraw/zinc/12/15/60/1163121560.db2.gz GAQKXAVZTDOKAP-LLVKDONJSA-N -1 1 288.687 1.173 20 5 CDBDMM Cc1nc(Oc2cccnc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001606078291 1163765895 /nfs/dbraw/zinc/76/58/95/1163765895.db2.gz CFPHDOQLFWBHSW-UHFFFAOYSA-N -1 1 299.250 1.666 20 5 CDBDMM Cc1nc(Oc2cccnc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001606078291 1163765899 /nfs/dbraw/zinc/76/58/99/1163765899.db2.gz CFPHDOQLFWBHSW-UHFFFAOYSA-N -1 1 299.250 1.666 20 5 CDBDMM O=[N+]([O-])c1ccc(NCCF)cc1-c1nnn[n-]1 ZINC001609602215 1165002331 /nfs/dbraw/zinc/00/23/31/1165002331.db2.gz RFXWNNZFUPZLQY-UHFFFAOYSA-N -1 1 252.209 1.156 20 5 CDBDMM O=[N+]([O-])c1ccc(NCCF)cc1-c1nn[n-]n1 ZINC001609602215 1165002336 /nfs/dbraw/zinc/00/23/36/1165002336.db2.gz RFXWNNZFUPZLQY-UHFFFAOYSA-N -1 1 252.209 1.156 20 5 CDBDMM COc1nn(C)cc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393260 1167360243 /nfs/dbraw/zinc/36/02/43/1167360243.db2.gz WUEYPXBACMOOCK-UHFFFAOYSA-N -1 1 264.241 1.786 20 5 CDBDMM C[C@@]1(O)C[C@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001591777662 1173700907 /nfs/dbraw/zinc/70/09/07/1173700907.db2.gz WODALNAMFYUDMA-OGXFKERWSA-N -1 1 290.283 1.100 20 5 CDBDMM C[C@@]1(O)C[C@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001591777662 1173700911 /nfs/dbraw/zinc/70/09/11/1173700911.db2.gz WODALNAMFYUDMA-OGXFKERWSA-N -1 1 290.283 1.100 20 5 CDBDMM Cc1cc(N[C@@H]2CCOC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592054257 1173789353 /nfs/dbraw/zinc/78/93/53/1173789353.db2.gz AQZNBUNUSUOVHT-MRVPVSSYSA-N -1 1 290.283 1.284 20 5 CDBDMM Cc1cc(N[C@@H]2CCOC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592054257 1173789357 /nfs/dbraw/zinc/78/93/57/1173789357.db2.gz AQZNBUNUSUOVHT-MRVPVSSYSA-N -1 1 290.283 1.284 20 5 CDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1C[C@@H]2C[C@@H]2C1 ZINC001593467496 1174079802 /nfs/dbraw/zinc/07/98/02/1174079802.db2.gz ZBXGZSNKCPHRGE-OCAPTIKFSA-N -1 1 272.268 1.231 20 5 CDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1C[C@@H]2C[C@@H]2C1 ZINC001593467496 1174079809 /nfs/dbraw/zinc/07/98/09/1174079809.db2.gz ZBXGZSNKCPHRGE-OCAPTIKFSA-N -1 1 272.268 1.231 20 5 CDBDMM O=[N+]([O-])c1ncccc1Oc1ccnc(-c2nnn[n-]2)c1 ZINC001593488493 1174085324 /nfs/dbraw/zinc/08/53/24/1174085324.db2.gz ZOTQHNPRLYWHTR-UHFFFAOYSA-N -1 1 285.223 1.357 20 5 CDBDMM O=[N+]([O-])c1ncccc1Oc1ccnc(-c2nn[n-]n2)c1 ZINC001593488493 1174085328 /nfs/dbraw/zinc/08/53/28/1174085328.db2.gz ZOTQHNPRLYWHTR-UHFFFAOYSA-N -1 1 285.223 1.357 20 5 CDBDMM C[C@H](O)C(C)(C)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001603693806 1175601562 /nfs/dbraw/zinc/60/15/62/1175601562.db2.gz JETXWIHDKPVWPW-YFKPBYRVSA-N -1 1 298.328 1.408 20 5 CDBDMM C[C@H](O)C(C)(C)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001603693806 1175601565 /nfs/dbraw/zinc/60/15/65/1175601565.db2.gz JETXWIHDKPVWPW-YFKPBYRVSA-N -1 1 298.328 1.408 20 5 CDBDMM C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@H]1C ZINC001603940463 1175693254 /nfs/dbraw/zinc/69/32/54/1175693254.db2.gz SWTUUMZCMWJXPE-DTORHVGOSA-N -1 1 288.311 1.867 20 5 CDBDMM C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001603940463 1175693258 /nfs/dbraw/zinc/69/32/58/1175693258.db2.gz SWTUUMZCMWJXPE-DTORHVGOSA-N -1 1 288.311 1.867 20 5 CDBDMM CC[C@@H](CO)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001604040212 1175728877 /nfs/dbraw/zinc/72/88/77/1175728877.db2.gz RDASGMPWKWTUEM-YFKPBYRVSA-N -1 1 284.301 1.019 20 5 CDBDMM CC[C@@H](CO)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001604040212 1175728881 /nfs/dbraw/zinc/72/88/81/1175728881.db2.gz RDASGMPWKWTUEM-YFKPBYRVSA-N -1 1 284.301 1.019 20 5 CDBDMM O=[N+]([O-])c1cc(NCC2CSC2)ccc1-c1nn[n-]n1 ZINC001607080590 1164071074 /nfs/dbraw/zinc/07/10/74/1164071074.db2.gz XQSYEXDBFBZBRP-UHFFFAOYSA-N -1 1 292.324 1.550 20 5 CDBDMM O=[N+]([O-])c1cn([C@@H]2C=CCCC2)nc1-c1nn[n-]n1 ZINC001607085026 1164073615 /nfs/dbraw/zinc/07/36/15/1164073615.db2.gz GTWQUPDVOBJKHL-SSDOTTSWSA-N -1 1 261.245 1.253 20 5 CDBDMM COCCCO[N-]C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000805038317 780410969 /nfs/dbraw/zinc/41/09/69/780410969.db2.gz AZHHVVVQPXIJCP-JTQLQIEISA-N -1 1 282.296 1.783 20 5 CDBDMM CO[N-]C(=O)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000922828998 781507991 /nfs/dbraw/zinc/50/79/91/781507991.db2.gz DSRDYNBIZZNXBK-UHFFFAOYSA-N -1 1 273.676 1.015 20 5 CDBDMM Cc1cc(Cl)nc([N-]c2nccnc2CN)c1[N+](=O)[O-] ZINC001160246408 938777113 /nfs/dbraw/zinc/77/71/13/938777113.db2.gz QMASBKZPXOLPMP-UHFFFAOYSA-N -1 1 294.702 1.944 20 5 CDBDMM CO[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C(C)(C)C ZINC001160872519 938835341 /nfs/dbraw/zinc/83/53/41/938835341.db2.gz FGLAHKXJZGKDSN-JTQLQIEISA-N -1 1 297.311 1.486 20 5 CDBDMM O=[N+]([O-])C[C@H](Oc1[n-]c(=S)ncc1F)C1CC1 ZINC001227384321 942170783 /nfs/dbraw/zinc/17/07/83/942170783.db2.gz XCHDIUKQQXQFIC-ZETCQYMHSA-N -1 1 259.262 1.339 20 5 CDBDMM CC1(C)C[C@@H](Oc2nc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC001228140634 942274761 /nfs/dbraw/zinc/27/47/61/942274761.db2.gz LGHMUGFKTAHTPC-ZETCQYMHSA-N -1 1 269.257 1.427 20 5 CDBDMM Cc1cc2nc(OC(=O)C[C@@H](C)O)[n-]c2cc1[N+](=O)[O-] ZINC001228675079 942353513 /nfs/dbraw/zinc/35/35/13/942353513.db2.gz NWWRRTSIWRWVNT-SSDOTTSWSA-N -1 1 279.252 1.456 20 5 CDBDMM Cc1cc2[n-]c(OC(=O)C[C@@H](C)O)nc2cc1[N+](=O)[O-] ZINC001228675079 942353516 /nfs/dbraw/zinc/35/35/16/942353516.db2.gz NWWRRTSIWRWVNT-SSDOTTSWSA-N -1 1 279.252 1.456 20 5 CDBDMM C[N@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229396417 942464969 /nfs/dbraw/zinc/46/49/69/942464969.db2.gz SZTBAVPZMGAEDC-JTQLQIEISA-N -1 1 252.270 1.773 20 5 CDBDMM Cc1[n-][nH]c(=O)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000590565005 342575952 /nfs/dbraw/zinc/57/59/52/342575952.db2.gz ILGSCJKVJFSJFS-UHFFFAOYSA-N -1 1 276.252 1.513 20 5 CDBDMM CC(C)CC[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000600834673 342251480 /nfs/dbraw/zinc/25/14/80/342251480.db2.gz AFCASZZSUGGBKL-VIFPVBQESA-N -1 1 297.311 1.222 20 5 CDBDMM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC(C)(C)O1 ZINC000194656161 362846074 /nfs/dbraw/zinc/84/60/74/362846074.db2.gz YOXAAAFSQWSBHJ-MRVPVSSYSA-N -1 1 295.295 1.335 20 5 CDBDMM C[C@H]1C[C@H](C)CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000186766868 291113489 /nfs/dbraw/zinc/11/34/89/291113489.db2.gz LTXWIKSKFVNLHA-IUCAKERBSA-N -1 1 279.296 1.814 20 5 CDBDMM COc1cc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H]2C)ccc1[N+](=O)[O-] ZINC000566366531 357492484 /nfs/dbraw/zinc/49/24/84/357492484.db2.gz DYHCXVKMWMFHDV-GXSJLCMTSA-N -1 1 294.307 1.898 20 5 CDBDMM C[C@@H]1[C@@H](C)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193670551 358314046 /nfs/dbraw/zinc/31/40/46/358314046.db2.gz OYGTZBPVSYWKBE-JGVFFNPUSA-N -1 1 265.269 1.566 20 5 CDBDMM CCN(CCC(=O)[O-])Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000566075111 366533088 /nfs/dbraw/zinc/53/30/88/366533088.db2.gz WPVNKSLUBMWJJN-UHFFFAOYSA-N -1 1 292.295 1.768 20 5 CDBDMM O=C(Nc1cc(Cl)ccc1[O-])c1n[nH]cc1[N+](=O)[O-] ZINC000138053200 360028827 /nfs/dbraw/zinc/02/88/27/360028827.db2.gz OMGWMZXVAPCSON-UHFFFAOYSA-N -1 1 282.643 1.929 20 5 CDBDMM CCc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])n[nH]1 ZINC000182118927 365071910 /nfs/dbraw/zinc/07/19/10/365071910.db2.gz FIZMIFRYMGMZJG-UHFFFAOYSA-N -1 1 277.240 1.233 20 5 CDBDMM CCc1n[nH]c(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000182118927 365071911 /nfs/dbraw/zinc/07/19/11/365071911.db2.gz FIZMIFRYMGMZJG-UHFFFAOYSA-N -1 1 277.240 1.233 20 5 CDBDMM O=C(Nc1cc(Cl)ccc1[O-])c1c[nH]nc1[N+](=O)[O-] ZINC000548417228 366904532 /nfs/dbraw/zinc/90/45/32/366904532.db2.gz FSGNRZJUPZJIIA-UHFFFAOYSA-N -1 1 282.643 1.929 20 5 CDBDMM CN(C[C@@H]1CCCCO1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000275012975 367673852 /nfs/dbraw/zinc/67/38/52/367673852.db2.gz QIUVELQGOMJWLT-JTQLQIEISA-N -1 1 295.295 1.337 20 5 CDBDMM CO[C@@H]1CCCC[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278109786 374830938 /nfs/dbraw/zinc/83/09/38/374830938.db2.gz KHDOVOFWPBCWNQ-GXSJLCMTSA-N -1 1 295.295 1.383 20 5 CDBDMM COCCS(=O)(=O)[N-]c1c(C)c([N+](=O)[O-])ccc1F ZINC000282557111 375093692 /nfs/dbraw/zinc/09/36/92/375093692.db2.gz FIAPQFSPDFIUHI-UHFFFAOYSA-N -1 1 292.288 1.430 20 5 CDBDMM Cn1cnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000356451586 375846213 /nfs/dbraw/zinc/84/62/13/375846213.db2.gz GXSAPWQMSOUKJY-UHFFFAOYSA-N -1 1 265.204 1.115 20 5 CDBDMM CC[C@@](C)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)OC ZINC000452737240 252156738 /nfs/dbraw/zinc/15/67/38/252156738.db2.gz HRIMLKBGUHEHOZ-LBPRGKRZSA-N -1 1 283.284 1.240 20 5 CDBDMM CC[C@H](C)[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000439501521 391653487 /nfs/dbraw/zinc/65/34/87/391653487.db2.gz DMFLPVJLJDGOQR-SDBXPKJASA-N -1 1 297.311 1.222 20 5 CDBDMM C[C@@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCS1 ZINC000191948615 130337351 /nfs/dbraw/zinc/33/73/51/130337351.db2.gz OKYYGSUDAPVFLS-MRVPVSSYSA-N -1 1 297.336 1.663 20 5 CDBDMM COC(=O)c1nc[nH]c1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000549696776 392605557 /nfs/dbraw/zinc/60/55/57/392605557.db2.gz RYMDOJRFENAKRI-UHFFFAOYSA-N -1 1 290.235 1.357 20 5 CDBDMM Cc1c(CNC(=O)c2cncc([O-])c2)cccc1[N+](=O)[O-] ZINC000231876523 140220313 /nfs/dbraw/zinc/22/03/13/140220313.db2.gz BLNVFDSAYWHNQM-UHFFFAOYSA-N -1 1 287.275 1.934 20 5 CDBDMM C[C@H]1CC[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000444480470 278384033 /nfs/dbraw/zinc/38/40/33/278384033.db2.gz KHVJIFMETYUXHK-CBAPKCEASA-N -1 1 265.269 1.614 20 5 CDBDMM O=C(OCCn1ccc([N+](=O)[O-])n1)c1ccc([O-])cc1F ZINC000773573474 575827094 /nfs/dbraw/zinc/82/70/94/575827094.db2.gz OMJOGYWTWAJVHS-UHFFFAOYSA-N -1 1 295.226 1.493 20 5 CDBDMM O=[N+]([O-])c1ccccc1CNc1cccc(-c2nnn[n-]2)n1 ZINC000738370252 576063347 /nfs/dbraw/zinc/06/33/47/576063347.db2.gz SQMHEMFVLXYZRD-UHFFFAOYSA-N -1 1 297.278 1.782 20 5 CDBDMM O=[N+]([O-])c1ccccc1CNc1cccc(-c2nn[n-]n2)n1 ZINC000738370252 576063348 /nfs/dbraw/zinc/06/33/48/576063348.db2.gz SQMHEMFVLXYZRD-UHFFFAOYSA-N -1 1 297.278 1.782 20 5 CDBDMM O=C([O-])c1cc(COC(=O)[C@@H]2CC2[N+](=O)[O-])cs1 ZINC001602262688 1175188313 /nfs/dbraw/zinc/18/83/13/1175188313.db2.gz ZWGGYNNUEKOAQB-RNFRBKRXSA-N -1 1 271.250 1.155 20 5 CDBDMM O=C([O-])[C@H]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000819292581 597537758 /nfs/dbraw/zinc/53/77/58/597537758.db2.gz UHKSZUYBQSGVJC-JTQLQIEISA-N -1 1 290.279 1.309 20 5 CDBDMM COc1cc(CN(C)[C@@H](C)C(=O)[O-])c([N+](=O)[O-])cc1OC ZINC000820763897 598132214 /nfs/dbraw/zinc/13/22/14/598132214.db2.gz KVLLSDRARLMWIF-QMMMGPOBSA-N -1 1 298.295 1.517 20 5 CDBDMM CC(C)(C)C[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)C(=O)[O-] ZINC000833430768 605240000 /nfs/dbraw/zinc/24/00/00/605240000.db2.gz ZADBJNBMDXGBLO-QMMMGPOBSA-N -1 1 284.268 1.969 20 5 CDBDMM O=[N+]([O-])c1cc(NCc2ccco2)ccc1-c1nn[n-]n1 ZINC000823634819 606644683 /nfs/dbraw/zinc/64/46/83/606644683.db2.gz MQYFQVVIWPSIEM-UHFFFAOYSA-N -1 1 286.251 1.980 20 5 CDBDMM O=[N+]([O-])c1cc(N[C@H]2CCC[C@@H]2O)ccc1-c1nn[n-]n1 ZINC001607080338 1164071886 /nfs/dbraw/zinc/07/18/86/1164071886.db2.gz UWNYOCMAOWSXTD-ONGXEEELSA-N -1 1 290.283 1.100 20 5 CDBDMM C[C@H](O)C[C@H](C)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609128595 1164781965 /nfs/dbraw/zinc/78/19/65/1164781965.db2.gz QBAJSEGFEQXLLZ-YUMQZZPRSA-N -1 1 292.299 1.346 20 5 CDBDMM Cc1[n-]n(-c2cc([N+](=O)[O-])ccc2C)c(=O)c1F ZINC000871949736 1165364306 /nfs/dbraw/zinc/36/43/06/1165364306.db2.gz KVWCORAHJNLMND-JTQLQIEISA-N -1 1 251.217 1.964 20 5 CDBDMM COC(=O)c1cnc(Nc2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC001210392213 1167359333 /nfs/dbraw/zinc/35/93/33/1167359333.db2.gz DGKZNJCXUFSCJR-UHFFFAOYSA-N -1 1 290.235 1.621 20 5 CDBDMM C[C@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CO1 ZINC001590207635 1173292376 /nfs/dbraw/zinc/29/23/76/1173292376.db2.gz SXKPSJOMISXEDO-NTSWFWBYSA-N -1 1 296.312 1.426 20 5 CDBDMM C[C@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CO1 ZINC001590207635 1173292378 /nfs/dbraw/zinc/29/23/78/1173292378.db2.gz SXKPSJOMISXEDO-NTSWFWBYSA-N -1 1 296.312 1.426 20 5 CDBDMM Cc1nc(Oc2cccc([N+](=O)[O-])c2)cc(-c2nnn[n-]2)n1 ZINC001592397577 1173882294 /nfs/dbraw/zinc/88/22/94/1173882294.db2.gz VZSQHSROWPOLMT-UHFFFAOYSA-N -1 1 299.250 1.666 20 5 CDBDMM Cc1nc(Oc2cccc([N+](=O)[O-])c2)cc(-c2nn[n-]n2)n1 ZINC001592397577 1173882300 /nfs/dbraw/zinc/88/23/00/1173882300.db2.gz VZSQHSROWPOLMT-UHFFFAOYSA-N -1 1 299.250 1.666 20 5 CDBDMM Nc1cc(N[C@@H]2C=CCC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592760033 1173985190 /nfs/dbraw/zinc/98/51/90/1173985190.db2.gz PHKNLIVMTLFRBK-SSDOTTSWSA-N -1 1 287.283 1.488 20 5 CDBDMM Nc1cc(N[C@@H]2C=CCC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592760033 1173985194 /nfs/dbraw/zinc/98/51/94/1173985194.db2.gz PHKNLIVMTLFRBK-SSDOTTSWSA-N -1 1 287.283 1.488 20 5 CDBDMM O=[N+]([O-])c1c(NCCCCF)cccc1-c1nnn[n-]1 ZINC001593465055 1174078142 /nfs/dbraw/zinc/07/81/42/1174078142.db2.gz HLBISRSYMNWSMZ-UHFFFAOYSA-N -1 1 280.263 1.937 20 5 CDBDMM O=[N+]([O-])c1c(NCCCCF)cccc1-c1nn[n-]n1 ZINC001593465055 1174078148 /nfs/dbraw/zinc/07/81/48/1174078148.db2.gz HLBISRSYMNWSMZ-UHFFFAOYSA-N -1 1 280.263 1.937 20 5 CDBDMM O=C([O-])C1(O)CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001601723652 1167800040 /nfs/dbraw/zinc/80/00/40/1167800040.db2.gz SNMYMBKRQSWVNF-UHFFFAOYSA-N -1 1 280.280 1.006 20 5 CDBDMM NC(=O)c1cccnc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210394111 895242402 /nfs/dbraw/zinc/24/24/02/895242402.db2.gz OJEUJQKBIACODK-UHFFFAOYSA-N -1 1 274.236 1.538 20 5 CDBDMM NCc1nccnc1[N-]c1ncc2cccc([N+](=O)[O-])c2n1 ZINC001171450314 910740840 /nfs/dbraw/zinc/74/08/40/910740840.db2.gz POWQWDALAWVTEF-UHFFFAOYSA-N -1 1 297.278 1.530 20 5 CDBDMM Cc1nnc([C@@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)[nH]1 ZINC000840321529 936947897 /nfs/dbraw/zinc/94/78/97/936947897.db2.gz QLIDQXOTXBXQQE-ZCFIWIBFSA-N -1 1 292.251 1.645 20 5 CDBDMM Cc1nc([C@@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n[nH]1 ZINC000840321529 936947898 /nfs/dbraw/zinc/94/78/98/936947898.db2.gz QLIDQXOTXBXQQE-ZCFIWIBFSA-N -1 1 292.251 1.645 20 5 CDBDMM Nc1cc(C2CC2)nn1-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001199802056 925867831 /nfs/dbraw/zinc/86/78/31/925867831.db2.gz KIMCQBGRIXBJQZ-UHFFFAOYSA-N -1 1 260.253 1.946 20 5 CDBDMM N=c1ccc(Cl)c(N)n1-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001199815103 925876153 /nfs/dbraw/zinc/87/61/53/925876153.db2.gz UUSKFJVSTVQYNZ-UHFFFAOYSA-N -1 1 280.671 1.806 20 5 CDBDMM O=C(c1ncccc1[O-])N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116693086 937466234 /nfs/dbraw/zinc/46/62/34/937466234.db2.gz ZGAZAJBZFBNJCO-UHFFFAOYSA-N -1 1 285.259 1.851 20 5 CDBDMM CCON(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C(C)C ZINC000844150212 931550426 /nfs/dbraw/zinc/55/04/26/931550426.db2.gz MIRGMFBQQXHHFE-UHFFFAOYSA-N -1 1 269.257 1.498 20 5 CDBDMM O=[N+]([O-])c1ccc2c(c1)C[C@@H](OCC[P@@](=O)([O-])O)C2 ZINC001224607717 941775344 /nfs/dbraw/zinc/77/53/44/941775344.db2.gz USVRKQLHPCOISO-NSHDSACASA-N -1 1 287.208 1.256 20 5 CDBDMM COC(=O)[C@@]1(C)C[C@@H](Oc2nc(C)cc([O-])c2[N+](=O)[O-])C1 ZINC001231264609 942839803 /nfs/dbraw/zinc/83/98/03/942839803.db2.gz SOMSMMOKMPLDMW-KTLJEJPDSA-N -1 1 296.279 1.724 20 5 CDBDMM 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/nfs/dbraw/zinc/08/40/95/1174084095.db2.gz GQBMXVSGVCATGJ-RNLVFQAGSA-N -1 1 275.272 1.018 20 5 CDBDMM CC[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000593805119 342836972 /nfs/dbraw/zinc/83/69/72/342836972.db2.gz ANGVMDMWZGGFFV-WPRPVWTQSA-N -1 1 295.295 1.335 20 5 CDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCCC1CCC1 ZINC000594856907 342964503 /nfs/dbraw/zinc/96/45/03/342964503.db2.gz KRKNRYPJCJIPOF-UHFFFAOYSA-N -1 1 299.352 1.848 20 5 CDBDMM CN1CC2(C1)CCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C2 ZINC000597572997 343574862 /nfs/dbraw/zinc/57/48/62/343574862.db2.gz WHBNQAWEKHUONZ-UHFFFAOYSA-N -1 1 291.307 1.078 20 5 CDBDMM CC[C@H](C)CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000598765612 343900258 /nfs/dbraw/zinc/90/02/58/343900258.db2.gz FQVXPLJYNCKJKM-QMMMGPOBSA-N -1 1 267.285 1.861 20 5 CDBDMM CCCCCN(CCO)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000189537325 535040286 /nfs/dbraw/zinc/04/02/86/535040286.db2.gz UVNYLLISSFIIOX-UHFFFAOYSA-N -1 1 297.311 1.320 20 5 CDBDMM 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296.308 1.681 20 5 CDBDMM O=C(Nc1cc2ccccn2n1)c1ccc([N+](=O)[O-])[n-]1 ZINC000561154408 293055847 /nfs/dbraw/zinc/05/58/47/293055847.db2.gz SSYOWFCSJXRRQP-UHFFFAOYSA-N -1 1 271.236 1.823 20 5 CDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@H](F)C1 ZINC000583507129 325190857 /nfs/dbraw/zinc/19/08/57/325190857.db2.gz XTYYAIMPCMLCLM-SSDOTTSWSA-N -1 1 269.232 1.270 20 5 CDBDMM O=C([O-])[C@@H]1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000819292625 596900863 /nfs/dbraw/zinc/90/08/63/596900863.db2.gz ZESKJDZOVYTCFK-SECBINFHSA-N -1 1 290.279 1.309 20 5 CDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1CCSC1 ZINC000823620190 606714233 /nfs/dbraw/zinc/71/42/33/606714233.db2.gz HYRZBASKSFWNNX-LURJTMIESA-N -1 1 293.312 1.087 20 5 CDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1CCSC1 ZINC000823620190 606714235 /nfs/dbraw/zinc/71/42/35/606714235.db2.gz HYRZBASKSFWNNX-LURJTMIESA-N -1 1 293.312 1.087 20 5 CDBDMM O=C1CCCCC[C@@H]1n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001607044932 1164067042 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