smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001164683715 719727900 /nfs/dbraw/zinc/72/79/00/719727900.db2.gz CYNXZCDJBANWNZ-UHFFFAOYSA-N 1 1 405.455 1.347 20 5 HDBDMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001164706034 719851319 /nfs/dbraw/zinc/85/13/19/719851319.db2.gz WIZPLYYYPGTDRK-MGPUTAFESA-N 1 1 415.450 1.771 20 5 HDBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc(C(=O)OC)cc1[N+](=O)[O-])C2 ZINC001164813072 720095257 /nfs/dbraw/zinc/09/52/57/720095257.db2.gz SCBQZAWCZMLKLB-UZLBHIALSA-N 1 1 404.467 1.961 20 5 HDBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C(=O)OC)ccc1[N+](=O)[O-])C2 ZINC001164814661 720202026 /nfs/dbraw/zinc/20/20/26/720202026.db2.gz VVSIOPQFJKQGJN-QRWLVFNGSA-N 1 1 404.467 1.961 20 5 HDBDMO COc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c([N+](=O)[O-])c1 ZINC001164738503 720825676 /nfs/dbraw/zinc/82/56/76/720825676.db2.gz GEJSOCQMBPIAHE-JFIYKMOQSA-N 1 1 413.482 1.969 20 5 HDBDMO CCOC(=O)c1ccnc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164761919 721231437 /nfs/dbraw/zinc/23/14/37/721231437.db2.gz KIMIQATWXVMZNK-HOTGVXAUSA-N 1 1 414.466 1.858 20 5 HDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164760519 721244433 /nfs/dbraw/zinc/24/44/33/721244433.db2.gz FMNQUCXHYKWFNQ-CABCVRRESA-N 1 1 400.439 1.468 20 5 HDBDMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nccc(Cl)c3[N+](=O)[O-])CC2)C1 ZINC001164875848 721262487 /nfs/dbraw/zinc/26/24/87/721262487.db2.gz MMMDUZPQNYKYJW-UHFFFAOYSA-N 1 1 411.890 1.650 20 5 HDBDMO COc1nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)ncc1[N+](=O)[O-] ZINC001164889354 721380007 /nfs/dbraw/zinc/38/00/07/721380007.db2.gz LTBSANMYHVYFKA-HNAYVOBHSA-N 1 1 406.487 1.159 20 5 HDBDMO COc1nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)ncc1[N+](=O)[O-] ZINC001164889356 721380181 /nfs/dbraw/zinc/38/01/81/721380181.db2.gz LTBSANMYHVYFKA-KXBFYZLASA-N 1 1 406.487 1.159 20 5 HDBDMO COC(=O)c1nc(Cl)nc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164784416 721398254 /nfs/dbraw/zinc/39/82/54/721398254.db2.gz JXJRTSVGUYKVAZ-NXEZZACHSA-N 1 1 424.870 1.850 20 5 HDBDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc([N+](=O)[O-])cc[n+]1[O-])CC2 ZINC001164785934 721450722 /nfs/dbraw/zinc/45/07/22/721450722.db2.gz IVCFWCLKXXCTOY-LJQANCHMSA-N 1 1 420.510 1.962 20 5 HDBDMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000302133945 1073586160 /nfs/dbraw/zinc/58/61/60/1073586160.db2.gz CPTPGESHFDJWDB-OAHLLOKOSA-N 1 1 419.507 1.865 20 5 HDBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000429208177 1074115744 /nfs/dbraw/zinc/11/57/44/1074115744.db2.gz KFOIIQSTMVBZOQ-UHFFFAOYSA-N 1 1 404.467 1.824 20 5 HDBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000429208177 1074115747 /nfs/dbraw/zinc/11/57/47/1074115747.db2.gz KFOIIQSTMVBZOQ-UHFFFAOYSA-N 1 1 404.467 1.824 20 5 HDBDMO Cc1nc(N[C@@H]2CCn3ccnc3C2)nc(N[C@@H]2CCn3cc[nH+]c3C2)c1[N+](=O)[O-] ZINC000489946733 1075525007 /nfs/dbraw/zinc/52/50/07/1075525007.db2.gz MXOMMVOFCSKHKJ-ZIAGYGMSSA-N 1 1 409.454 1.940 20 5 HDBDMO Cc1nc(N[C@@H]2CCn3cc[nH+]c3C2)nc(N[C@@H]2CCn3ccnc3C2)c1[N+](=O)[O-] ZINC000489946733 1075525015 /nfs/dbraw/zinc/52/50/15/1075525015.db2.gz MXOMMVOFCSKHKJ-ZIAGYGMSSA-N 1 1 409.454 1.940 20 5 HDBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000731885791 1075555222 /nfs/dbraw/zinc/55/52/22/1075555222.db2.gz VVZXXKKSMWPHJL-UHFFFAOYSA-N 1 1 405.499 1.141 20 5 HDBDMO Nc1nccc(C(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000548059870 1075708330 /nfs/dbraw/zinc/70/83/30/1075708330.db2.gz MZLTUUPTZLXYHV-UHFFFAOYSA-N 1 1 412.494 1.900 20 5 HDBDMO CC[N@@H+]1CCN(C(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000611088080 1075832145 /nfs/dbraw/zinc/83/21/45/1075832145.db2.gz BVGSFXMSIFLBBT-OAHLLOKOSA-N 1 1 403.483 1.430 20 5 HDBDMO CC[N@H+]1CCN(C(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000611088080 1075832148 /nfs/dbraw/zinc/83/21/48/1075832148.db2.gz BVGSFXMSIFLBBT-OAHLLOKOSA-N 1 1 403.483 1.430 20 5 HDBDMO CCOc1cc(NC(=O)C(=O)N2CC[N@H+](CC)[C@@H](C)C2)c([N+](=O)[O-])cc1OCC ZINC000611100435 1075833833 /nfs/dbraw/zinc/83/38/33/1075833833.db2.gz DKDZNPXYGQVLLQ-ZDUSSCGKSA-N 1 1 408.455 1.883 20 5 HDBDMO CCOc1cc(NC(=O)C(=O)N2CC[N@@H+](CC)[C@@H](C)C2)c([N+](=O)[O-])cc1OCC ZINC000611100435 1075833837 /nfs/dbraw/zinc/83/38/37/1075833837.db2.gz DKDZNPXYGQVLLQ-ZDUSSCGKSA-N 1 1 408.455 1.883 20 5 HDBDMO COc1cc(OCC(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000611177011 1075869521 /nfs/dbraw/zinc/86/95/21/1075869521.db2.gz WYAFUPUAKXXTKF-UHFFFAOYSA-N 1 1 420.510 1.999 20 5 HDBDMO C[C@@H](NC(=O)c1cc(I)cc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000611223419 1075879979 /nfs/dbraw/zinc/87/99/79/1075879979.db2.gz QYLJDIXNUNMOJF-RNCFNFMXSA-N 1 1 419.219 1.648 20 5 HDBDMO C[C@@H](NC(=O)c1cc(I)cc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000611223419 1075879984 /nfs/dbraw/zinc/87/99/84/1075879984.db2.gz QYLJDIXNUNMOJF-RNCFNFMXSA-N 1 1 419.219 1.648 20 5 HDBDMO CCOc1ccc(NC(=O)CN2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000611244282 1075884547 /nfs/dbraw/zinc/88/45/47/1075884547.db2.gz NSJVTTGYCWXDAH-QGZVFWFLSA-N 1 1 419.482 1.346 20 5 HDBDMO CS(=O)(=O)c1cc(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc([N+](=O)[O-])c1 ZINC000733158329 1075991829 /nfs/dbraw/zinc/99/18/29/1075991829.db2.gz HIFZXLNFZNTTEZ-MRXNPFEDSA-N 1 1 411.480 1.372 20 5 HDBDMO COC(=O)[C@@H]1CC12CC[NH+](CN1C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C1=O)CC2 ZINC000733792099 1076199770 /nfs/dbraw/zinc/19/97/70/1076199770.db2.gz KQVGAVZVKBNHKR-HNAYVOBHSA-N 1 1 416.434 1.594 20 5 HDBDMO Cc1cc(C(=O)OCC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c(N)c([N+](=O)[O-])c1 ZINC000727899773 1076278510 /nfs/dbraw/zinc/27/85/10/1076278510.db2.gz MDYALQHKKHVXKS-AWEZNQCLSA-N 1 1 408.455 1.115 20 5 HDBDMO COCCN1CC[N@H+](C)C2(CCN(c3ncnc4cc([N+](=O)[O-])ccc43)CC2)C1=O ZINC001164635580 719273206 /nfs/dbraw/zinc/27/32/06/719273206.db2.gz SEKDCUKZTJMMBR-UHFFFAOYSA-N 1 1 414.466 1.297 20 5 HDBDMO COCCN1CC[N@@H+](C)C2(CCN(c3ncnc4cc([N+](=O)[O-])ccc43)CC2)C1=O ZINC001164635580 719273209 /nfs/dbraw/zinc/27/32/09/719273209.db2.gz SEKDCUKZTJMMBR-UHFFFAOYSA-N 1 1 414.466 1.297 20 5 HDBDMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc([N+](=O)[O-])c4ccccc43)C2)C1 ZINC001164719987 720242125 /nfs/dbraw/zinc/24/21/25/720242125.db2.gz QDQPDSAZHFCUGY-NRFANRHFSA-N 1 1 413.478 1.808 20 5 HDBDMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc([N+](=O)[O-])c4ccccc43)C2)C1 ZINC001164719987 720242131 /nfs/dbraw/zinc/24/21/31/720242131.db2.gz QDQPDSAZHFCUGY-NRFANRHFSA-N 1 1 413.478 1.808 20 5 HDBDMO COc1ncnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164836301 720544665 /nfs/dbraw/zinc/54/46/65/720544665.db2.gz JKPVXPRNQHYGLZ-OWCLPIDISA-N 1 1 401.471 1.968 20 5 HDBDMO COc1cc2ncnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2cc1[N+](=O)[O-] ZINC001164736888 720701364 /nfs/dbraw/zinc/70/13/64/720701364.db2.gz CCANXTIHMBLNFA-KBPBESRZSA-N 1 1 423.433 1.679 20 5 HDBDMO COc1cc2ncnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2cc1[N+](=O)[O-] ZINC001164736890 720702141 /nfs/dbraw/zinc/70/21/41/720702141.db2.gz CCANXTIHMBLNFA-KGLIPLIRSA-N 1 1 423.433 1.679 20 5 HDBDMO CSc1nc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164738406 720709888 /nfs/dbraw/zinc/70/98/88/720709888.db2.gz JIDLYCWEPUFSPG-QWRGUYRKSA-N 1 1 423.886 1.892 20 5 HDBDMO COC(=O)c1cnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164866050 721069625 /nfs/dbraw/zinc/06/96/25/721069625.db2.gz CCTMLKSTYFYTBV-IAGOWNOFSA-N 1 1 413.434 1.651 20 5 HDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164866758 721191306 /nfs/dbraw/zinc/19/13/06/721191306.db2.gz CPNBVCPHJCVLPN-CVEARBPZSA-N 1 1 413.434 1.651 20 5 HDBDMO CCOC(=O)c1ccnc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164761920 721230166 /nfs/dbraw/zinc/23/01/66/721230166.db2.gz KIMIQATWXVMZNK-HZPDHXFCSA-N 1 1 414.466 1.858 20 5 HDBDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncc([N+](=O)[O-])cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164886785 721397468 /nfs/dbraw/zinc/39/74/68/721397468.db2.gz GGUJVCQGTJIZCB-VQIMIIECSA-N 1 1 420.470 1.663 20 5 HDBDMO COc1cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)ncc1[N+](=O)[O-] ZINC001164884459 721404241 /nfs/dbraw/zinc/40/42/41/721404241.db2.gz DFBJQQIUZXSIRR-OXJNMPFZSA-N 1 1 405.499 1.764 20 5 HDBDMO COc1cnc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c([N+](=O)[O-])c1 ZINC001164889483 721407178 /nfs/dbraw/zinc/40/71/78/721407178.db2.gz QZLCEUCHDFAPFP-UZLBHIALSA-N 1 1 405.499 1.764 20 5 HDBDMO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164884570 721410980 /nfs/dbraw/zinc/41/09/80/721410980.db2.gz DXBAPJNFTKDJNH-OXJNMPFZSA-N 1 1 420.514 1.467 20 5 HDBDMO COc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)ncc1[N+](=O)[O-] ZINC001164795124 721525334 /nfs/dbraw/zinc/52/53/34/721525334.db2.gz JSVKCPIILZCDGB-HYVNUMGLSA-N 1 1 400.439 1.657 20 5 HDBDMO COc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)ncc1[N+](=O)[O-] ZINC001164795124 721525340 /nfs/dbraw/zinc/52/53/40/721525340.db2.gz JSVKCPIILZCDGB-HYVNUMGLSA-N 1 1 400.439 1.657 20 5 HDBDMO C[NH+]1CCN(c2ncnc3c2CCN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])CC3)CC1 ZINC001164997774 722234294 /nfs/dbraw/zinc/23/42/94/722234294.db2.gz WHYDXMPLIZRKNX-UHFFFAOYSA-N 1 1 419.873 1.029 20 5 HDBDMO COC(=O)c1cc(C)nc(NCCCN2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000557533461 1074801641 /nfs/dbraw/zinc/80/16/41/1074801641.db2.gz FOGOEWAPILWEMM-UHFFFAOYSA-N 1 1 414.466 2.104 20 5 HDBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000731619226 1075415216 /nfs/dbraw/zinc/41/52/16/1075415216.db2.gz SVLWIMYEWFSVJU-HLLBOEOZSA-N 1 1 405.451 1.886 20 5 HDBDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000731619226 1075415229 /nfs/dbraw/zinc/41/52/29/1075415229.db2.gz SVLWIMYEWFSVJU-HLLBOEOZSA-N 1 1 405.451 1.886 20 5 HDBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)cn1 ZINC000731877882 1075550109 /nfs/dbraw/zinc/55/01/09/1075550109.db2.gz VPUBVAPERUNVEX-HNNXBMFYSA-N 1 1 424.417 1.998 20 5 HDBDMO CC(C)N(CCCNC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000429266107 1075740388 /nfs/dbraw/zinc/74/03/88/1075740388.db2.gz SDBZXPJKRAGOBF-UHFFFAOYSA-N 1 1 414.528 1.596 20 5 HDBDMO CC[N@@H+]1CCN(C(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000611088079 1075832418 /nfs/dbraw/zinc/83/24/18/1075832418.db2.gz BVGSFXMSIFLBBT-HNNXBMFYSA-N 1 1 403.483 1.430 20 5 HDBDMO CC[N@H+]1CCN(C(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000611088079 1075832419 /nfs/dbraw/zinc/83/24/19/1075832419.db2.gz BVGSFXMSIFLBBT-HNNXBMFYSA-N 1 1 403.483 1.430 20 5 HDBDMO CC(C)N1CC[NH+](C2CCN(c3cccc([N+](=O)[O-])c3S(N)(=O)=O)CC2)CC1 ZINC000611166112 1075865235 /nfs/dbraw/zinc/86/52/35/1075865235.db2.gz HBKRRYVWRLWPRZ-UHFFFAOYSA-N 1 1 411.528 1.237 20 5 HDBDMO C[C@H](NC(=O)c1cc(I)cc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000611223420 1075880055 /nfs/dbraw/zinc/88/00/55/1075880055.db2.gz QYLJDIXNUNMOJF-TVQRCGJNSA-N 1 1 419.219 1.648 20 5 HDBDMO C[C@H](NC(=O)c1cc(I)cc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000611223420 1075880058 /nfs/dbraw/zinc/88/00/58/1075880058.db2.gz QYLJDIXNUNMOJF-TVQRCGJNSA-N 1 1 419.219 1.648 20 5 HDBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000611513406 1075952554 /nfs/dbraw/zinc/95/25/54/1075952554.db2.gz YCXQRCXWONOSGU-CQSZACIVSA-N 1 1 412.393 1.751 20 5 HDBDMO CC(C)(CO)[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000611516196 1075953225 /nfs/dbraw/zinc/95/32/25/1075953225.db2.gz ZIQQXQPQUDAFBT-ZDUSSCGKSA-N 1 1 410.496 1.176 20 5 HDBDMO CC(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CC[NH+](C)CC1 ZINC000733156782 1075989596 /nfs/dbraw/zinc/98/95/96/1075989596.db2.gz OWYIVOSMOBHSQQ-HXUWFJFHSA-N 1 1 419.526 1.433 20 5 HDBDMO Cc1c([N+](=O)[O-])cc(C(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000733368128 1076055040 /nfs/dbraw/zinc/05/50/40/1076055040.db2.gz RCNAOJASRNNIBQ-ZDUSSCGKSA-N 1 1 414.440 1.002 20 5 HDBDMO C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)C1=O ZINC000727170339 1076068671 /nfs/dbraw/zinc/06/86/71/1076068671.db2.gz UMGIFGVJDNNMCS-YJYMSZOUSA-N 1 1 403.439 1.297 20 5 HDBDMO C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@H+]2CCC[C@H](CCC(N)=O)C2)C1=O ZINC000727170339 1076068684 /nfs/dbraw/zinc/06/86/84/1076068684.db2.gz UMGIFGVJDNNMCS-YJYMSZOUSA-N 1 1 403.439 1.297 20 5 HDBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)CN1CC[NH+](C)CC1 ZINC000733882518 1076237979 /nfs/dbraw/zinc/23/79/79/1076237979.db2.gz QPRFBWSFUJGAOF-INIZCTEOSA-N 1 1 405.499 1.045 20 5 HDBDMO CC[NH+]1CCN(CCCCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC000733882499 1076238142 /nfs/dbraw/zinc/23/81/42/1076238142.db2.gz PYNICGNOIHEJMF-UHFFFAOYSA-N 1 1 419.526 1.579 20 5 HDBDMO O=C1OCCN1c1ccc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000766206976 1076307703 /nfs/dbraw/zinc/30/77/03/1076307703.db2.gz KKHIXQQEJYVTLK-CQSZACIVSA-N 1 1 424.479 1.847 20 5 HDBDMO O=C1OCCN1c1ccc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000766206976 1076307707 /nfs/dbraw/zinc/30/77/07/1076307707.db2.gz KKHIXQQEJYVTLK-CQSZACIVSA-N 1 1 424.479 1.847 20 5 HDBDMO Cc1c(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000728077724 1076334360 /nfs/dbraw/zinc/33/43/60/1076334360.db2.gz MEJSLGCITUPYLA-ZDUSSCGKSA-N 1 1 407.427 1.437 20 5 HDBDMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3N)CC2)CC1 ZINC000731230912 1076760137 /nfs/dbraw/zinc/76/01/37/1076760137.db2.gz CGYNYEBMPYRHPK-UHFFFAOYSA-N 1 1 417.510 1.892 20 5 HDBDMO CCOC(=O)c1ccnc(N2CCC3(CCC[N@H+]3CC(=O)NC)CC2)c1[N+](=O)[O-] ZINC001164689884 719750746 /nfs/dbraw/zinc/75/07/46/719750746.db2.gz NQGHLKDDFJHECU-UHFFFAOYSA-N 1 1 405.455 1.347 20 5 HDBDMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001164703428 719851802 /nfs/dbraw/zinc/85/18/02/719851802.db2.gz PUQUKFMXVKHMOP-FOIQADDNSA-N 1 1 415.450 1.771 20 5 HDBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(OC)c([N+](=O)[O-])c(OC)n1)C2 ZINC001164809606 720113547 /nfs/dbraw/zinc/11/35/47/720113547.db2.gz HMYGKLNRBONGEK-LIRRHRJNSA-N 1 1 407.471 1.587 20 5 HDBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nccc(C(=O)OC)c1[N+](=O)[O-])C2 ZINC001164807337 720127975 /nfs/dbraw/zinc/12/79/75/720127975.db2.gz BYXWZQBQHITMJY-FOIQADDNSA-N 1 1 404.467 1.961 20 5 HDBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(C(=O)OC)ccc1[N+](=O)[O-])C2 ZINC001164814659 720201910 /nfs/dbraw/zinc/20/19/10/720201910.db2.gz VVSIOPQFJKQGJN-FOIQADDNSA-N 1 1 404.467 1.961 20 5 HDBDMO COc1cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)ncc1[N+](=O)[O-] ZINC001164868962 721269814 /nfs/dbraw/zinc/26/98/14/721269814.db2.gz HGYPSBXYKJPTES-UHFFFAOYSA-N 1 1 407.471 1.005 20 5 HDBDMO COc1cnc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c([N+](=O)[O-])c1 ZINC001164889482 721406748 /nfs/dbraw/zinc/40/67/48/721406748.db2.gz QZLCEUCHDFAPFP-OXQOHEQNSA-N 1 1 405.499 1.764 20 5 HDBDMO COc1cnc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c([N+](=O)[O-])c1 ZINC001164889480 721406885 /nfs/dbraw/zinc/40/68/85/721406885.db2.gz QZLCEUCHDFAPFP-JXFKEZNVSA-N 1 1 405.499 1.764 20 5 HDBDMO COc1nc(C)c([N+](=O)[O-])c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164800344 721553865 /nfs/dbraw/zinc/55/38/65/721553865.db2.gz FBPDSYCXBOYURP-SOLBZPMBSA-N 1 1 414.466 1.965 20 5 HDBDMO COc1nc(C)c([N+](=O)[O-])c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164800344 721553870 /nfs/dbraw/zinc/55/38/70/721553870.db2.gz FBPDSYCXBOYURP-SOLBZPMBSA-N 1 1 414.466 1.965 20 5 HDBDMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNc3ccc4ncc([N+](=O)[O-])n4n3)c2)C1 ZINC000302017418 1073580368 /nfs/dbraw/zinc/58/03/68/1073580368.db2.gz ZADYAWDHMSNYLN-MRXNPFEDSA-N 1 1 409.450 1.947 20 5 HDBDMO C[C@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)CN1CC[NH+](C)CC1 ZINC000303501529 1073744126 /nfs/dbraw/zinc/74/41/26/1073744126.db2.gz APNWRIVCBMDQIN-QGZVFWFLSA-N 1 1 403.527 1.811 20 5 HDBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000228019585 1073962811 /nfs/dbraw/zinc/96/28/11/1073962811.db2.gz JLRRDLFRUOVUSA-RVKKMQEKSA-N 1 1 404.467 1.425 20 5 HDBDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000228019585 1073962813 /nfs/dbraw/zinc/96/28/13/1073962813.db2.gz JLRRDLFRUOVUSA-RVKKMQEKSA-N 1 1 404.467 1.425 20 5 HDBDMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000228019573 1073962916 /nfs/dbraw/zinc/96/29/16/1073962916.db2.gz JLRRDLFRUOVUSA-IIDMSEBBSA-N 1 1 404.467 1.425 20 5 HDBDMO C[C@@H](C(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543526803 1074012565 /nfs/dbraw/zinc/01/25/65/1074012565.db2.gz IQPDQVLCZINDKS-TZMCWYRMSA-N 1 1 401.460 1.415 20 5 HDBDMO Cn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Br)cnc2N2CC[NH+](C)CC2)n1 ZINC001128932456 1074693217 /nfs/dbraw/zinc/69/32/17/1074693217.db2.gz TYWWJVDXYJZEPC-UHFFFAOYSA-N 1 1 424.259 1.490 20 5 HDBDMO COc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429244087 1074771316 /nfs/dbraw/zinc/77/13/16/1074771316.db2.gz IVRQMVSIRLNLPS-UHFFFAOYSA-N 1 1 422.463 1.714 20 5 HDBDMO CN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000731662833 1075452642 /nfs/dbraw/zinc/45/26/42/1075452642.db2.gz GQUWFQFQLAKDGJ-UHFFFAOYSA-N 1 1 420.470 1.178 20 5 HDBDMO CC(=O)c1ccc(N(C)C2CCN(CC(=O)N3CC[NH+](C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000731662674 1075452649 /nfs/dbraw/zinc/45/26/49/1075452649.db2.gz AGWWXLAOQUVQPB-UHFFFAOYSA-N 1 1 417.510 1.472 20 5 HDBDMO CC[NH+]1CCN(C(=O)CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000731995711 1075588063 /nfs/dbraw/zinc/58/80/63/1075588063.db2.gz ADEQVEFZFVEVSR-UHFFFAOYSA-N 1 1 406.411 1.167 20 5 HDBDMO COc1c(Br)c([N+](=O)[O-])c(NC[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000732049826 1075607774 /nfs/dbraw/zinc/60/77/74/1075607774.db2.gz BOHFYIFTWZVFKL-VIFPVBQESA-N 1 1 418.248 1.932 20 5 HDBDMO COc1c(Br)c([N+](=O)[O-])c(NC[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000732049826 1075607775 /nfs/dbraw/zinc/60/77/75/1075607775.db2.gz BOHFYIFTWZVFKL-VIFPVBQESA-N 1 1 418.248 1.932 20 5 HDBDMO CC[N@H+]1CCN(C(=O)[C@H](CCSC)NC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000611088094 1075832172 /nfs/dbraw/zinc/83/21/72/1075832172.db2.gz CJIBZRDTSVDCSE-YOEHRIQHSA-N 1 1 408.524 1.999 20 5 HDBDMO Cn1cc(C(=O)N2CCC([N@@H+](C)CCCO)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611156970 1075860238 /nfs/dbraw/zinc/86/02/38/1075860238.db2.gz MVXCYUHHMJBFIF-UHFFFAOYSA-N 1 1 401.467 1.914 20 5 HDBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000611244217 1075885448 /nfs/dbraw/zinc/88/54/48/1075885448.db2.gz JUJQOHHGAFNKJL-ROUUACIJSA-N 1 1 401.467 1.114 20 5 HDBDMO O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000611464730 1075941679 /nfs/dbraw/zinc/94/16/79/1075941679.db2.gz VAIKUFZSYHPPIH-FUHWJXTLSA-N 1 1 404.467 1.103 20 5 HDBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2nc(N3CCCC3)cc[nH+]2)CC1 ZINC000733183551 1076011260 /nfs/dbraw/zinc/01/12/60/1076011260.db2.gz DKAAUXFQHADJOC-UHFFFAOYSA-N 1 1 418.479 1.496 20 5 HDBDMO NC(=O)CC[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000727158638 1076071528 /nfs/dbraw/zinc/07/15/28/1076071528.db2.gz WFXUTDWCAPTUDP-INIZCTEOSA-N 1 1 403.483 1.221 20 5 HDBDMO COC(=O)[C@H]1CC12CC[NH+](CN1C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C1=O)CC2 ZINC000733792097 1076199245 /nfs/dbraw/zinc/19/92/45/1076199245.db2.gz KQVGAVZVKBNHKR-BEFAXECRSA-N 1 1 416.434 1.594 20 5 HDBDMO COc1nc(C)c([N+](=O)[O-])c(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1 ZINC001164813462 720224518 /nfs/dbraw/zinc/22/45/18/720224518.db2.gz MPIKJZUMLVNSPF-UHFFFAOYSA-N 1 1 417.470 1.509 20 5 HDBDMO O=[N+]([O-])c1c(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)ncnc1N1CC[NH2+]CC1 ZINC001164730332 720349035 /nfs/dbraw/zinc/34/90/35/720349035.db2.gz ZCDKVRLKRNHNFD-DLBZAZTESA-N 1 1 410.482 1.043 20 5 HDBDMO O=[N+]([O-])c1c(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)ncnc1N1CC[NH2+]CC1 ZINC001164730335 720349294 /nfs/dbraw/zinc/34/92/94/720349294.db2.gz ZCDKVRLKRNHNFD-IAGOWNOFSA-N 1 1 410.482 1.043 20 5 HDBDMO CN(C)/C=C\c1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164738565 720755417 /nfs/dbraw/zinc/75/54/17/720755417.db2.gz GBFBKBIGVPDGSK-NMBNSIPYSA-N 1 1 411.466 1.654 20 5 HDBDMO CC(C)Oc1nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164737178 720776624 /nfs/dbraw/zinc/77/66/24/720776624.db2.gz AKQDJUMPLHRAPX-CABCVRRESA-N 1 1 400.439 1.909 20 5 HDBDMO COc1ncnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1[N+](=O)[O-] ZINC001164740321 720828345 /nfs/dbraw/zinc/82/83/45/720828345.db2.gz KEVGODSIBMEPLF-HRCADAONSA-N 1 1 414.470 1.364 20 5 HDBDMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(/C=C\N(C)C)c([N+](=O)[O-])cn3)CC[C@@H]2C1 ZINC001164856599 720873679 /nfs/dbraw/zinc/87/36/79/720873679.db2.gz IKSVZSKFVLGVDF-DTAYJBSDSA-N 1 1 405.499 1.696 20 5 HDBDMO COc1nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164766356 721130757 /nfs/dbraw/zinc/13/07/57/721130757.db2.gz KRNJMJPASOULDV-KBPBESRZSA-N 1 1 403.443 1.094 20 5 HDBDMO COC(=O)c1nc(Cl)nc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164784419 721398344 /nfs/dbraw/zinc/39/83/44/721398344.db2.gz JXJRTSVGUYKVAZ-UWVGGRQHSA-N 1 1 424.870 1.850 20 5 HDBDMO CC1=CC[N@@H+](CCNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])CC1 ZINC000302145020 1073586678 /nfs/dbraw/zinc/58/66/78/1073586678.db2.gz IZMIOKPZBCXWCV-UHFFFAOYSA-N 1 1 423.539 1.595 20 5 HDBDMO CN1CC[NH+](CCCNC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1 ZINC000302718195 1073619480 /nfs/dbraw/zinc/61/94/80/1073619480.db2.gz HJIOSWXMQZIOFD-UHFFFAOYSA-N 1 1 405.455 1.037 20 5 HDBDMO CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000429245721 1075090602 /nfs/dbraw/zinc/09/06/02/1075090602.db2.gz DEGHWWHDRQVRJK-UHFFFAOYSA-N 1 1 419.526 1.478 20 5 HDBDMO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000731765532 1075518427 /nfs/dbraw/zinc/51/84/27/1075518427.db2.gz WAUVWDUYMPWEFX-UHFFFAOYSA-N 1 1 410.390 1.618 20 5 HDBDMO COc1c(Br)c([N+](=O)[O-])c(NC[C@@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000732049825 1075607762 /nfs/dbraw/zinc/60/77/62/1075607762.db2.gz BOHFYIFTWZVFKL-SECBINFHSA-N 1 1 418.248 1.932 20 5 HDBDMO COc1c(Br)c([N+](=O)[O-])c(NC[C@@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000732049825 1075607764 /nfs/dbraw/zinc/60/77/64/1075607764.db2.gz BOHFYIFTWZVFKL-SECBINFHSA-N 1 1 418.248 1.932 20 5 HDBDMO CC[N@H+]1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000611088296 1075827937 /nfs/dbraw/zinc/82/79/37/1075827937.db2.gz OJFTVXCMFVRSBN-CRAIPNDOSA-N 1 1 424.523 1.691 20 5 HDBDMO CCn1cc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)c([N+](=O)[O-])n1 ZINC000611107076 1075838612 /nfs/dbraw/zinc/83/86/12/1075838612.db2.gz YSXPXNRTRNHOMW-UHFFFAOYSA-N 1 1 408.415 1.923 20 5 HDBDMO CC(C)N1CC[NH+](C2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)CC2)CC1 ZINC000611177001 1075869451 /nfs/dbraw/zinc/86/94/51/1075869451.db2.gz UQWLAXVDKLNKDQ-UHFFFAOYSA-N 1 1 418.494 1.997 20 5 HDBDMO Cc1c(NC(=O)C(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000611176426 1075869893 /nfs/dbraw/zinc/86/98/93/1075869893.db2.gz UVKVCPOIPMFNTA-UHFFFAOYSA-N 1 1 417.510 1.859 20 5 HDBDMO O=C(CC[NH+]1CCOCC1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000727399563 1076114431 /nfs/dbraw/zinc/11/44/31/1076114431.db2.gz VUGLXHRMDZDBSV-UHFFFAOYSA-N 1 1 416.400 1.985 20 5 HDBDMO Cc1c([N+](=O)[O-])cc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000728072913 1076332617 /nfs/dbraw/zinc/33/26/17/1076332617.db2.gz MJEAVADVOAYLGC-AWEZNQCLSA-N 1 1 407.427 1.484 20 5 HDBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000728072942 1076333059 /nfs/dbraw/zinc/33/30/59/1076333059.db2.gz NHAMQBHDFJJQSC-MRXNPFEDSA-N 1 1 402.455 1.003 20 5 HDBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(OC)c([N+](=O)[O-])c(OC)n1)C2 ZINC001164809605 720113890 /nfs/dbraw/zinc/11/38/90/720113890.db2.gz HMYGKLNRBONGEK-KUHUBIRLSA-N 1 1 407.471 1.587 20 5 HDBDMO COc1ncnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164836296 720544987 /nfs/dbraw/zinc/54/49/87/720544987.db2.gz JKPVXPRNQHYGLZ-BZUAXINKSA-N 1 1 401.471 1.968 20 5 HDBDMO CCOC(=O)c1ccnc(N2CC[C@H]3C[N@@H+](CCOC)CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001164857716 720885937 /nfs/dbraw/zinc/88/59/37/720885937.db2.gz KLGVVKFQTJMQSH-HOCLYGCPSA-N 1 1 408.455 1.340 20 5 HDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164866760 721191426 /nfs/dbraw/zinc/19/14/26/721191426.db2.gz CPNBVCPHJCVLPN-HZPDHXFCSA-N 1 1 413.434 1.651 20 5 HDBDMO COc1nc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)ccc1[N+](=O)[O-] ZINC001164891554 721393458 /nfs/dbraw/zinc/39/34/58/721393458.db2.gz QKBTWOWWYGBHSC-OXQOHEQNSA-N 1 1 405.499 1.764 20 5 HDBDMO COc1nc(C)c([N+](=O)[O-])c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164800346 721554601 /nfs/dbraw/zinc/55/46/01/721554601.db2.gz FBPDSYCXBOYURP-XYJFISCASA-N 1 1 414.466 1.965 20 5 HDBDMO COc1nc(C)c([N+](=O)[O-])c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164800346 721554603 /nfs/dbraw/zinc/55/46/03/721554603.db2.gz FBPDSYCXBOYURP-XYJFISCASA-N 1 1 414.466 1.965 20 5 HDBDMO CCOC(=O)c1ccnc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c1[N+](=O)[O-] ZINC001165013129 721749067 /nfs/dbraw/zinc/74/90/67/721749067.db2.gz VEPSDVXAVPLZQA-UHFFFAOYSA-N 1 1 419.482 1.690 20 5 HDBDMO CN1CC[NH+](CC2CCN(c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)CC1 ZINC000302173643 1073588377 /nfs/dbraw/zinc/58/83/77/1073588377.db2.gz MMILIUMSIRAEHN-UHFFFAOYSA-N 1 1 402.542 1.524 20 5 HDBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000303580184 1073754738 /nfs/dbraw/zinc/75/47/38/1073754738.db2.gz MKOVURQOQDLFRY-HNNXBMFYSA-N 1 1 401.471 1.179 20 5 HDBDMO CC(C)[C@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000303603222 1073758987 /nfs/dbraw/zinc/75/89/87/1073758987.db2.gz QHFWKWUEILEVOL-SFHVURJKSA-N 1 1 401.471 1.177 20 5 HDBDMO COC(=O)c1cc(C)nc(NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000561257508 1074805761 /nfs/dbraw/zinc/80/57/61/1074805761.db2.gz DNTVTTZIKNZJOF-JKSUJKDBSA-N 1 1 400.435 2.132 20 5 HDBDMO COC(=O)c1cc(C)nc(NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000561257507 1074806241 /nfs/dbraw/zinc/80/62/41/1074806241.db2.gz DNTVTTZIKNZJOF-HZPDHXFCSA-N 1 1 400.435 2.132 20 5 HDBDMO O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000429330888 1075094023 /nfs/dbraw/zinc/09/40/23/1075094023.db2.gz QCMKWEFUBGXEGK-UHFFFAOYSA-N 1 1 420.495 1.819 20 5 HDBDMO CN(CC1(O)CCC1)c1ccc([N+](=O)[O-])c(NC(=O)C[N@H+](C)CC2(O)CCC2)c1 ZINC000546808479 1075313539 /nfs/dbraw/zinc/31/35/39/1075313539.db2.gz DOHIUCBOXVUJNM-UHFFFAOYSA-N 1 1 406.483 1.731 20 5 HDBDMO CN(CC1(O)CCC1)c1ccc([N+](=O)[O-])c(NC(=O)C[N@@H+](C)CC2(O)CCC2)c1 ZINC000546808479 1075313542 /nfs/dbraw/zinc/31/35/42/1075313542.db2.gz DOHIUCBOXVUJNM-UHFFFAOYSA-N 1 1 406.483 1.731 20 5 HDBDMO Cc1c(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000470223481 1075499983 /nfs/dbraw/zinc/49/99/83/1075499983.db2.gz OBYSEMPOGJLCDS-CQSZACIVSA-N 1 1 410.496 1.355 20 5 HDBDMO CN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000732559714 1075786551 /nfs/dbraw/zinc/78/65/51/1075786551.db2.gz QBHKFWFTYKVJGG-GOSISDBHSA-N 1 1 400.483 1.571 20 5 HDBDMO CN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000732559714 1075786557 /nfs/dbraw/zinc/78/65/57/1075786557.db2.gz QBHKFWFTYKVJGG-GOSISDBHSA-N 1 1 400.483 1.571 20 5 HDBDMO CC[N@H+]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000611087674 1075827173 /nfs/dbraw/zinc/82/71/73/1075827173.db2.gz CARVFQKCIVSRDY-WMLDXEAASA-N 1 1 410.496 1.301 20 5 HDBDMO CC[N@H+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C[C@H]1C ZINC000611088229 1075827581 /nfs/dbraw/zinc/82/75/81/1075827581.db2.gz KHTDAVYFXPUCGX-HZPDHXFCSA-N 1 1 424.523 1.548 20 5 HDBDMO CCn1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000611105471 1075837992 /nfs/dbraw/zinc/83/79/92/1075837992.db2.gz SNMSJMDDLCMSMM-INIZCTEOSA-N 1 1 407.496 1.654 20 5 HDBDMO CC(C)N1CC[NH+](C2CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CC2)CC1 ZINC000611166119 1075865310 /nfs/dbraw/zinc/86/53/10/1075865310.db2.gz IRUYUIQGKLWUEJ-UHFFFAOYSA-N 1 1 411.528 1.237 20 5 HDBDMO Cc1nn(CCC(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)c(C)c1[N+](=O)[O-] ZINC000611176932 1075869814 /nfs/dbraw/zinc/86/98/14/1075869814.db2.gz JJHOXWVHEXVEAM-UHFFFAOYSA-N 1 1 406.531 1.815 20 5 HDBDMO Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C(C)(C)CO)CC2)ccc1[N+](=O)[O-] ZINC000611218392 1075878614 /nfs/dbraw/zinc/87/86/14/1075878614.db2.gz DPRQPRSLLKXCGY-SFHVURJKSA-N 1 1 418.494 1.423 20 5 HDBDMO Cc1c(NC(=O)[C@H](C)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000611244211 1075885713 /nfs/dbraw/zinc/88/57/13/1075885713.db2.gz JLSUPJCQBODOEY-KSSFIOAISA-N 1 1 403.483 1.644 20 5 HDBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)CC2)C1 ZINC000611462391 1075936678 /nfs/dbraw/zinc/93/66/78/1075936678.db2.gz YNOSPCORYWBOTK-KRWDZBQOSA-N 1 1 417.510 1.283 20 5 HDBDMO O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000611546026 1075960537 /nfs/dbraw/zinc/96/05/37/1075960537.db2.gz VERFAEUNXKFRCJ-UHFFFAOYSA-N 1 1 421.417 1.463 20 5 HDBDMO O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000730083800 1076430912 /nfs/dbraw/zinc/43/09/12/1076430912.db2.gz WKRKHXLVTOKIGG-OALUTQOASA-N 1 1 404.467 1.103 20 5 HDBDMO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000731033693 1076714597 /nfs/dbraw/zinc/71/45/97/1076714597.db2.gz FIDIJXRJDZEGFD-LLVKDONJSA-N 1 1 422.301 1.746 20 5 HDBDMO COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000731033693 1076714604 /nfs/dbraw/zinc/71/46/04/1076714604.db2.gz FIDIJXRJDZEGFD-LLVKDONJSA-N 1 1 422.301 1.746 20 5 HDBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])CC2 ZINC001164682555 719707250 /nfs/dbraw/zinc/70/72/50/719707250.db2.gz FTTOVAPLDLKDPM-UHFFFAOYSA-N 1 1 403.270 1.872 20 5 HDBDMO COc1cnc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c([N+](=O)[O-])c1 ZINC001164814810 720219684 /nfs/dbraw/zinc/21/96/84/720219684.db2.gz ZOKNIXUNZWSOER-UHFFFAOYSA-N 1 1 402.455 1.806 20 5 HDBDMO COc1ncnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164836294 720545069 /nfs/dbraw/zinc/54/50/69/720545069.db2.gz JKPVXPRNQHYGLZ-ARFHVFGLSA-N 1 1 401.471 1.968 20 5 HDBDMO COc1cc2ncnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2cc1[N+](=O)[O-] ZINC001164736891 720701234 /nfs/dbraw/zinc/70/12/34/720701234.db2.gz CCANXTIHMBLNFA-UONOGXRCSA-N 1 1 423.433 1.679 20 5 HDBDMO COc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncc1[N+](=O)[O-] ZINC001164742204 720823754 /nfs/dbraw/zinc/82/37/54/720823754.db2.gz QBOQEKPMIDQUSI-GVDBMIGSSA-N 1 1 413.482 1.969 20 5 HDBDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(SC)nc(Cl)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164852879 720838148 /nfs/dbraw/zinc/83/81/48/720838148.db2.gz MEDSXGFQITZEHB-VXGBXAGGSA-N 1 1 417.919 1.934 20 5 HDBDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)nc(SC)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164856027 720859826 /nfs/dbraw/zinc/85/98/26/720859826.db2.gz NRDHJEWJPIHQQH-NWDGAFQWSA-N 1 1 417.919 1.934 20 5 HDBDMO CCOC(=O)c1ccnc(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001164857720 720886004 /nfs/dbraw/zinc/88/60/04/720886004.db2.gz KLGVVKFQTJMQSH-ZBFHGGJFSA-N 1 1 408.455 1.340 20 5 HDBDMO COc1nc(C)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164866187 721088600 /nfs/dbraw/zinc/08/86/00/721088600.db2.gz RRZIIGISIVXYRY-HOTGVXAUSA-N 1 1 400.439 1.577 20 5 HDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164764780 721240471 /nfs/dbraw/zinc/24/04/71/721240471.db2.gz QBBLNGDYFSWKLO-HZPDHXFCSA-N 1 1 414.470 1.343 20 5 HDBDMO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164977338 722118677 /nfs/dbraw/zinc/11/86/77/722118677.db2.gz MOTGCZWFZAVNPQ-SJORKVTESA-N 1 1 414.466 1.824 20 5 HDBDMO C[NH+]1CCN(c2ncnc3c2CCN(c2nccc(Cl)c2[N+](=O)[O-])CC3)CC1 ZINC001164996525 722229584 /nfs/dbraw/zinc/22/95/84/722229584.db2.gz JAHUTMFLCTZNDC-UHFFFAOYSA-N 1 1 403.874 1.790 20 5 HDBDMO C[NH+]1CCC(CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])(N2CCCCC2)CC1 ZINC000302144760 1073586757 /nfs/dbraw/zinc/58/67/57/1073586757.db2.gz QQCAIAZKVCYTPO-UHFFFAOYSA-N 1 1 411.528 1.604 20 5 HDBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000429200899 1074069972 /nfs/dbraw/zinc/06/99/72/1074069972.db2.gz FCXUVZKTHBZQHS-UHFFFAOYSA-N 1 1 400.439 1.714 20 5 HDBDMO COC(=O)c1cc(C)nc(NCc2cccc(C[NH+]3CCOCC3)c2)c1[N+](=O)[O-] ZINC000578147578 1074807422 /nfs/dbraw/zinc/80/74/22/1074807422.db2.gz LCPUMIOUIRMXPQ-UHFFFAOYSA-N 1 1 400.435 2.529 20 5 HDBDMO O=C(C[N@@H+]1CCC[C@H](N2CCCC2=O)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000732212975 1075668916 /nfs/dbraw/zinc/66/89/16/1075668916.db2.gz VWMDVAYYJCGVHZ-IBGZPJMESA-N 1 1 415.494 1.330 20 5 HDBDMO O=C(C[N@H+]1CCC[C@H](N2CCCC2=O)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000732212975 1075668919 /nfs/dbraw/zinc/66/89/19/1075668919.db2.gz VWMDVAYYJCGVHZ-IBGZPJMESA-N 1 1 415.494 1.330 20 5 HDBDMO CC[N@H+]1CCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611084368 1075831814 /nfs/dbraw/zinc/83/18/14/1075831814.db2.gz FABGREJROLBTNY-HNNXBMFYSA-N 1 1 411.528 1.061 20 5 HDBDMO CCn1cc(S(=O)(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c([N+](=O)[O-])n1 ZINC000611106932 1075838661 /nfs/dbraw/zinc/83/86/61/1075838661.db2.gz CGELMNDXEBBVLV-AWEZNQCLSA-N 1 1 423.495 1.510 20 5 HDBDMO CCn1cc(S(=O)(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c([N+](=O)[O-])n1 ZINC000611106932 1075838664 /nfs/dbraw/zinc/83/86/64/1075838664.db2.gz CGELMNDXEBBVLV-AWEZNQCLSA-N 1 1 423.495 1.510 20 5 HDBDMO CC(C)[NH+]1CCN(C2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000611176888 1075869872 /nfs/dbraw/zinc/86/98/72/1075869872.db2.gz CIHZCABPTPMENB-UHFFFAOYSA-N 1 1 417.510 1.342 20 5 HDBDMO Cn1cc(C(=O)NCC2CC[NH+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CC2)cn1 ZINC000611266939 1075889371 /nfs/dbraw/zinc/88/93/71/1075889371.db2.gz PTGMGPWDUXSESD-UHFFFAOYSA-N 1 1 415.450 1.742 20 5 HDBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000611513405 1075952519 /nfs/dbraw/zinc/95/25/19/1075952519.db2.gz YCXQRCXWONOSGU-AWEZNQCLSA-N 1 1 412.393 1.751 20 5 HDBDMO COC(=O)[C@H]1CC12CC[NH+](CN1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000733791918 1076208563 /nfs/dbraw/zinc/20/85/63/1076208563.db2.gz GUELMOKOEFAKRR-OAHLLOKOSA-N 1 1 402.407 1.596 20 5 HDBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc([N+](=O)[O-])cc1C(=O)OC)C2 ZINC001164806987 720078774 /nfs/dbraw/zinc/07/87/74/720078774.db2.gz DVQSTRSOLCOSLQ-MGPUTAFESA-N 1 1 404.467 1.961 20 5 HDBDMO COc1ncnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164836299 720545390 /nfs/dbraw/zinc/54/53/90/720545390.db2.gz JKPVXPRNQHYGLZ-HRCADAONSA-N 1 1 401.471 1.968 20 5 HDBDMO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164738306 720660982 /nfs/dbraw/zinc/66/09/82/720660982.db2.gz IUTPAJBEFBDSCZ-VHSXEESVSA-N 1 1 412.237 1.824 20 5 HDBDMO COc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c([N+](=O)[O-])c1 ZINC001164738509 720825651 /nfs/dbraw/zinc/82/56/51/720825651.db2.gz GEJSOCQMBPIAHE-SOLBZPMBSA-N 1 1 413.482 1.969 20 5 HDBDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)nc(SC)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164856029 720859666 /nfs/dbraw/zinc/85/96/66/720859666.db2.gz NRDHJEWJPIHQQH-VXGBXAGGSA-N 1 1 417.919 1.934 20 5 HDBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2C[N@@H+](CCOC)CCO[C@@H]2C1 ZINC001164852122 720864917 /nfs/dbraw/zinc/86/49/17/720864917.db2.gz CCFJRWMMHAQBPJ-RHSMWYFYSA-N 1 1 408.455 1.340 20 5 HDBDMO COc1ncnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1[N+](=O)[O-] ZINC001164886553 721411307 /nfs/dbraw/zinc/41/13/07/721411307.db2.gz JVPUWKPAZOGSNO-HNAYVOBHSA-N 1 1 406.487 1.159 20 5 HDBDMO COc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)ncc1[N+](=O)[O-] ZINC001164795125 721524865 /nfs/dbraw/zinc/52/48/65/721524865.db2.gz JSVKCPIILZCDGB-PVAVHDDUSA-N 1 1 400.439 1.657 20 5 HDBDMO COc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)ncc1[N+](=O)[O-] ZINC001164795125 721524867 /nfs/dbraw/zinc/52/48/67/721524867.db2.gz JSVKCPIILZCDGB-PVAVHDDUSA-N 1 1 400.439 1.657 20 5 HDBDMO COc1nc(C)c([N+](=O)[O-])c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164800337 721554175 /nfs/dbraw/zinc/55/41/75/721554175.db2.gz FBPDSYCXBOYURP-BQFCYCMXSA-N 1 1 414.466 1.965 20 5 HDBDMO COc1nc(C)c([N+](=O)[O-])c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164800337 721554179 /nfs/dbraw/zinc/55/41/79/721554179.db2.gz FBPDSYCXBOYURP-BQFCYCMXSA-N 1 1 414.466 1.965 20 5 HDBDMO COc1ncnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1[N+](=O)[O-] ZINC001164804676 721554370 /nfs/dbraw/zinc/55/43/70/721554370.db2.gz LXUVLFZHQZRPHP-HLLBOEOZSA-N 1 1 400.439 1.657 20 5 HDBDMO COc1ncnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1[N+](=O)[O-] ZINC001164804676 721554374 /nfs/dbraw/zinc/55/43/74/721554374.db2.gz LXUVLFZHQZRPHP-HLLBOEOZSA-N 1 1 400.439 1.657 20 5 HDBDMO COC(=O)c1ccnc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c1[N+](=O)[O-] ZINC001165010184 721739717 /nfs/dbraw/zinc/73/97/17/721739717.db2.gz FQIDQTJOCHGRHT-UHFFFAOYSA-N 1 1 405.455 1.299 20 5 HDBDMO CCOC(=O)c1nc(Cl)nc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1[N+](=O)[O-] ZINC001164965909 722068066 /nfs/dbraw/zinc/06/80/66/722068066.db2.gz RQMSIVKGTKZZGZ-TXEJJXNPSA-N 1 1 411.846 1.514 20 5 HDBDMO CCOC(=O)c1nc(Cl)nc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c1[N+](=O)[O-] ZINC001164965909 722068069 /nfs/dbraw/zinc/06/80/69/722068069.db2.gz RQMSIVKGTKZZGZ-TXEJJXNPSA-N 1 1 411.846 1.514 20 5 HDBDMO CC1(C)CN(c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)CC[N@@H+]1CCO ZINC000302527790 1073608306 /nfs/dbraw/zinc/60/83/06/1073608306.db2.gz KLTJNRDHXGXYSL-UHFFFAOYSA-N 1 1 407.858 1.687 20 5 HDBDMO CC1(C)CN(c2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)CC[N@H+]1CCO ZINC000302527790 1073608311 /nfs/dbraw/zinc/60/83/11/1073608311.db2.gz KLTJNRDHXGXYSL-UHFFFAOYSA-N 1 1 407.858 1.687 20 5 HDBDMO Cc1ccc(NCCCNC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)[nH+]c1 ZINC000444278155 1075307262 /nfs/dbraw/zinc/30/72/62/1075307262.db2.gz AWGZZMYBZYEUEA-UHFFFAOYSA-N 1 1 411.418 2.184 20 5 HDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCN3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC001129186478 1075399491 /nfs/dbraw/zinc/39/94/91/1075399491.db2.gz ZYVGIEXMRJRNMA-OLMNPRSZSA-N 1 1 422.507 1.301 20 5 HDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000731623500 1075418151 /nfs/dbraw/zinc/41/81/51/1075418151.db2.gz UWABTUHFNNSQGN-CALCHBBNSA-N 1 1 418.494 1.803 20 5 HDBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000732065276 1075600288 /nfs/dbraw/zinc/60/02/88/1075600288.db2.gz YIODGECCTPVEIH-MGPQQGTHSA-N 1 1 408.480 1.240 20 5 HDBDMO O=C(C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000732201845 1075674645 /nfs/dbraw/zinc/67/46/45/1075674645.db2.gz PNNCWYDXERLXPB-NVXWUHKLSA-N 1 1 416.400 1.631 20 5 HDBDMO O=C(C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000732201845 1075674647 /nfs/dbraw/zinc/67/46/47/1075674647.db2.gz PNNCWYDXERLXPB-NVXWUHKLSA-N 1 1 416.400 1.631 20 5 HDBDMO CC(=O)N1CC[NH+](CCOc2ccc(CCNc3ncc([N+](=O)[O-])s3)cc2)CC1 ZINC000443508658 1075720698 /nfs/dbraw/zinc/72/06/98/1075720698.db2.gz JDFOFSPXGOXBGN-UHFFFAOYSA-N 1 1 419.507 2.249 20 5 HDBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(C)(CN2CC[NH+](C)CC2)CC1 ZINC000543686902 1075733460 /nfs/dbraw/zinc/73/34/60/1075733460.db2.gz CPBYGJDJYUHPSY-UHFFFAOYSA-N 1 1 410.540 1.941 20 5 HDBDMO O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000611545742 1075959595 /nfs/dbraw/zinc/95/95/95/1075959595.db2.gz VKKSBUHDYDXCHL-UHFFFAOYSA-N 1 1 421.417 1.463 20 5 HDBDMO COCCN1CC[N@H+](C)C2(CCN(c3ncnc4cccc([N+](=O)[O-])c43)CC2)C1=O ZINC001164644475 719283680 /nfs/dbraw/zinc/28/36/80/719283680.db2.gz LBCKFPWASDLOJY-UHFFFAOYSA-N 1 1 414.466 1.297 20 5 HDBDMO COCCN1CC[N@@H+](C)C2(CCN(c3ncnc4cccc([N+](=O)[O-])c43)CC2)C1=O ZINC001164644475 719283686 /nfs/dbraw/zinc/28/36/86/719283686.db2.gz LBCKFPWASDLOJY-UHFFFAOYSA-N 1 1 414.466 1.297 20 5 HDBDMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc4cccc([N+](=O)[O-])c4n3)C2)C1 ZINC001164718301 720244112 /nfs/dbraw/zinc/24/41/12/720244112.db2.gz DHMPYIRVUSHJLM-OAQYLSRUSA-N 1 1 413.478 1.808 20 5 HDBDMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc4cccc([N+](=O)[O-])c4n3)C2)C1 ZINC001164718301 720244117 /nfs/dbraw/zinc/24/41/17/720244117.db2.gz DHMPYIRVUSHJLM-OAQYLSRUSA-N 1 1 413.478 1.808 20 5 HDBDMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)C2)C1 ZINC001164721299 720270337 /nfs/dbraw/zinc/27/03/37/720270337.db2.gz JGSAIYYMFWFKRQ-LJQANCHMSA-N 1 1 402.455 1.136 20 5 HDBDMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)C2)C1 ZINC001164721299 720270357 /nfs/dbraw/zinc/27/03/57/720270357.db2.gz JGSAIYYMFWFKRQ-LJQANCHMSA-N 1 1 402.455 1.136 20 5 HDBDMO COc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c([N+](=O)[O-])c1 ZINC001164738510 720825616 /nfs/dbraw/zinc/82/56/16/720825616.db2.gz GEJSOCQMBPIAHE-XYJFISCASA-N 1 1 413.482 1.969 20 5 HDBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743124 720837198 /nfs/dbraw/zinc/83/71/98/720837198.db2.gz ISMAUZCOSZWVSF-ZHALLVOQSA-N 1 1 413.482 1.508 20 5 HDBDMO COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)nc(SC)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164856028 720859533 /nfs/dbraw/zinc/85/95/33/720859533.db2.gz NRDHJEWJPIHQQH-RYUDHWBXSA-N 1 1 417.919 1.934 20 5 HDBDMO CC(C)N(C)Cc1cnc2n1CCN(c1ncc([N+](=O)[O-])c(C3C[NH2+]C3)n1)[C@@H]2C ZINC001164864530 721023974 /nfs/dbraw/zinc/02/39/74/721023974.db2.gz XWBQPJWLMIUGKJ-CYBMUJFWSA-N 1 1 400.487 1.690 20 5 HDBDMO COC(=O)c1cnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164866052 721070117 /nfs/dbraw/zinc/07/01/17/721070117.db2.gz CCTMLKSTYFYTBV-SJORKVTESA-N 1 1 413.434 1.651 20 5 HDBDMO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164865115 721109852 /nfs/dbraw/zinc/10/98/52/721109852.db2.gz IMAFCRXEVVHKMX-HOTGVXAUSA-N 1 1 405.842 1.756 20 5 HDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164760522 721246119 /nfs/dbraw/zinc/24/61/19/721246119.db2.gz FMNQUCXHYKWFNQ-HUUCEWRRSA-N 1 1 400.439 1.468 20 5 HDBDMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc([N+](=O)[O-])cc(Cl)n3)CC2)C1 ZINC001164875106 721262420 /nfs/dbraw/zinc/26/24/20/721262420.db2.gz MBDZVVCPGZIIRQ-UHFFFAOYSA-N 1 1 411.890 1.650 20 5 HDBDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncc([N+](=O)[O-])cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164886782 721397294 /nfs/dbraw/zinc/39/72/94/721397294.db2.gz GGUJVCQGTJIZCB-LPHOPBHVSA-N 1 1 420.470 1.663 20 5 HDBDMO CC(C)[C@@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000303523197 1073747650 /nfs/dbraw/zinc/74/76/50/1073747650.db2.gz FJJDUXYGFXSVIE-LJQANCHMSA-N 1 1 400.483 1.782 20 5 HDBDMO CC(C)[C@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000303523194 1073747707 /nfs/dbraw/zinc/74/77/07/1073747707.db2.gz FJJDUXYGFXSVIE-IBGZPJMESA-N 1 1 400.483 1.782 20 5 HDBDMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001128636057 1074198955 /nfs/dbraw/zinc/19/89/55/1074198955.db2.gz FSFCKYABMSTDOD-INIZCTEOSA-N 1 1 407.434 1.822 20 5 HDBDMO CC(C)([NH2+]CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)c1ccccc1[N+](=O)[O-] ZINC000429251630 1075147926 /nfs/dbraw/zinc/14/79/26/1075147926.db2.gz ISUBEKCXRFLMFK-UHFFFAOYSA-N 1 1 418.475 1.656 20 5 HDBDMO C[N@H+](CC(=O)NC(c1ccccc1)c1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000429401643 1075415356 /nfs/dbraw/zinc/41/53/56/1075415356.db2.gz MKIYNQWFVVLOIP-FQEVSTJZSA-N 1 1 423.473 1.990 20 5 HDBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000732030660 1075590640 /nfs/dbraw/zinc/59/06/40/1075590640.db2.gz NCKXLBVDDFZEDG-NSHDSACASA-N 1 1 420.438 1.590 20 5 HDBDMO C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436340571 1075670172 /nfs/dbraw/zinc/67/01/72/1075670172.db2.gz FZBAXVOZJHONGY-SNVBAGLBSA-N 1 1 413.360 1.797 20 5 HDBDMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)c3ccnc(N)c3[N+](=O)[O-])C2)cc(OC)c1 ZINC000577437297 1075696101 /nfs/dbraw/zinc/69/61/01/1075696101.db2.gz BELYDBWNBMSRRR-ZDUSSCGKSA-N 1 1 401.423 1.594 20 5 HDBDMO COc1cc(C[N@H+]2CC[C@H](NC(=O)c3ccnc(N)c3[N+](=O)[O-])C2)cc(OC)c1 ZINC000577437297 1075696103 /nfs/dbraw/zinc/69/61/03/1075696103.db2.gz BELYDBWNBMSRRR-ZDUSSCGKSA-N 1 1 401.423 1.594 20 5 HDBDMO CC(C)([NH2+]CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccccc1[N+](=O)[O-] ZINC000429270895 1075767039 /nfs/dbraw/zinc/76/70/39/1075767039.db2.gz JHRGYJMFCFKILY-UHFFFAOYSA-N 1 1 420.491 1.426 20 5 HDBDMO CN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000732559716 1075786646 /nfs/dbraw/zinc/78/66/46/1075786646.db2.gz QBHKFWFTYKVJGG-SFHVURJKSA-N 1 1 400.483 1.571 20 5 HDBDMO CN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000732559716 1075786651 /nfs/dbraw/zinc/78/66/51/1075786651.db2.gz QBHKFWFTYKVJGG-SFHVURJKSA-N 1 1 400.483 1.571 20 5 HDBDMO COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000611194016 1075870538 /nfs/dbraw/zinc/87/05/38/1075870538.db2.gz JUABPMWIFJTCQH-DOMZBBRYSA-N 1 1 411.480 1.699 20 5 HDBDMO COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000611194016 1075870541 /nfs/dbraw/zinc/87/05/41/1075870541.db2.gz JUABPMWIFJTCQH-DOMZBBRYSA-N 1 1 411.480 1.699 20 5 HDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000611244207 1075885472 /nfs/dbraw/zinc/88/54/72/1075885472.db2.gz JLFQXOXQQIRWCO-KRWDZBQOSA-N 1 1 419.482 1.346 20 5 HDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000611244207 1075885475 /nfs/dbraw/zinc/88/54/75/1075885475.db2.gz JLFQXOXQQIRWCO-KRWDZBQOSA-N 1 1 419.482 1.346 20 5 HDBDMO CC(C)c1[nH+]ccn1CCNC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000732962708 1075932392 /nfs/dbraw/zinc/93/23/92/1075932392.db2.gz DNWPSOYJVCYIPW-UHFFFAOYSA-N 1 1 424.483 1.181 20 5 HDBDMO COCC(=O)NC1CC[NH+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])CC1 ZINC000611518379 1075953486 /nfs/dbraw/zinc/95/34/86/1075953486.db2.gz FTJZHPFMUNEDFJ-UHFFFAOYSA-N 1 1 417.409 1.974 20 5 HDBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC000733170713 1076001108 /nfs/dbraw/zinc/00/11/08/1076001108.db2.gz QMXCTRDJLGGWEP-QGZVFWFLSA-N 1 1 419.526 1.435 20 5 HDBDMO COC(=O)[C@H]1CC12CC[NH+](CN1C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C1=O)CC2 ZINC000733792098 1076199131 /nfs/dbraw/zinc/19/91/31/1076199131.db2.gz KQVGAVZVKBNHKR-DNVCBOLYSA-N 1 1 416.434 1.594 20 5 HDBDMO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000733883949 1076239582 /nfs/dbraw/zinc/23/95/82/1076239582.db2.gz HVFSFILWOOWMST-UHFFFAOYSA-N 1 1 417.510 1.725 20 5 HDBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000730574734 1076607526 /nfs/dbraw/zinc/60/75/26/1076607526.db2.gz ANCYGVFRBLVZIE-CQSZACIVSA-N 1 1 400.476 1.525 20 5 HDBDMO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000731033694 1076714614 /nfs/dbraw/zinc/71/46/14/1076714614.db2.gz FIDIJXRJDZEGFD-NSHDSACASA-N 1 1 422.301 1.746 20 5 HDBDMO COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000731033694 1076714618 /nfs/dbraw/zinc/71/46/18/1076714618.db2.gz FIDIJXRJDZEGFD-NSHDSACASA-N 1 1 422.301 1.746 20 5 HDBDMO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000731216798 1076765786 /nfs/dbraw/zinc/76/57/86/1076765786.db2.gz XGCVZPLRJAPICT-YPMHNXCESA-N 1 1 420.285 1.499 20 5 HDBDMO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000731216798 1076765799 /nfs/dbraw/zinc/76/57/99/1076765799.db2.gz XGCVZPLRJAPICT-YPMHNXCESA-N 1 1 420.285 1.499 20 5 HDBDMO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001164703429 719851631 /nfs/dbraw/zinc/85/16/31/719851631.db2.gz PUQUKFMXVKHMOP-MGPUTAFESA-N 1 1 415.450 1.771 20 5 HDBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc([N+](=O)[O-])cc1C(=O)OC)C2 ZINC001164806994 720080088 /nfs/dbraw/zinc/08/00/88/720080088.db2.gz DVQSTRSOLCOSLQ-YWZLYKJASA-N 1 1 404.467 1.961 20 5 HDBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164740859 720631101 /nfs/dbraw/zinc/63/11/01/720631101.db2.gz JLIVKXROZZLLGJ-QWRGUYRKSA-N 1 1 423.886 1.892 20 5 HDBDMO COC(=O)c1cnc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164761685 721102629 /nfs/dbraw/zinc/10/26/29/721102629.db2.gz AFXXGKSZCIGSBI-ZBFHGGJFSA-N 1 1 400.439 1.468 20 5 HDBDMO COC(=O)c1cnc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164761682 721102771 /nfs/dbraw/zinc/10/27/71/721102771.db2.gz AFXXGKSZCIGSBI-GDBMZVCRSA-N 1 1 400.439 1.468 20 5 HDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164866762 721190263 /nfs/dbraw/zinc/19/02/63/721190263.db2.gz CPNBVCPHJCVLPN-JKSUJKDBSA-N 1 1 413.434 1.651 20 5 HDBDMO COc1ncnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-] ZINC001164975771 722118547 /nfs/dbraw/zinc/11/85/47/722118547.db2.gz KYLONBXQXMZWEG-HZPDHXFCSA-N 1 1 400.439 1.516 20 5 HDBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000303532327 1073748477 /nfs/dbraw/zinc/74/84/77/1073748477.db2.gz GQCWUHPDXKSGMJ-MRXNPFEDSA-N 1 1 400.483 1.784 20 5 HDBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000731655161 1075439071 /nfs/dbraw/zinc/43/90/71/1075439071.db2.gz IZPHHFRLRMGXJI-UHFFFAOYSA-N 1 1 403.483 1.477 20 5 HDBDMO C[NH+]1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)CC1 ZINC000732283765 1075697473 /nfs/dbraw/zinc/69/74/73/1075697473.db2.gz DCQYKFRATKDPPG-UHFFFAOYSA-N 1 1 415.416 1.510 20 5 HDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000611244303 1075884674 /nfs/dbraw/zinc/88/46/74/1075884674.db2.gz QRYKXCXLNLGHIX-QGZVFWFLSA-N 1 1 419.482 1.346 20 5 HDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000611244303 1075884680 /nfs/dbraw/zinc/88/46/80/1075884680.db2.gz QRYKXCXLNLGHIX-QGZVFWFLSA-N 1 1 419.482 1.346 20 5 HDBDMO C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)C1=O ZINC000727170336 1076068882 /nfs/dbraw/zinc/06/88/82/1076068882.db2.gz UMGIFGVJDNNMCS-DJJJIMSYSA-N 1 1 403.439 1.297 20 5 HDBDMO C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)C1=O ZINC000727170336 1076068885 /nfs/dbraw/zinc/06/88/85/1076068885.db2.gz UMGIFGVJDNNMCS-DJJJIMSYSA-N 1 1 403.439 1.297 20 5 HDBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000728061030 1076314630 /nfs/dbraw/zinc/31/46/30/1076314630.db2.gz ZBCHYOWMKLZORX-LLVKDONJSA-N 1 1 404.876 1.114 20 5 HDBDMO O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000730083799 1076430636 /nfs/dbraw/zinc/43/06/36/1076430636.db2.gz WKRKHXLVTOKIGG-MOPGFXCFSA-N 1 1 404.467 1.103 20 5 HDBDMO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000731216792 1076765743 /nfs/dbraw/zinc/76/57/43/1076765743.db2.gz XGCVZPLRJAPICT-DGCLKSJQSA-N 1 1 420.285 1.499 20 5 HDBDMO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000731216792 1076765760 /nfs/dbraw/zinc/76/57/60/1076765760.db2.gz XGCVZPLRJAPICT-DGCLKSJQSA-N 1 1 420.285 1.499 20 5 HDBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(NC(C)=O)nc(C)c1[N+](=O)[O-])C2 ZINC001164814601 720199241 /nfs/dbraw/zinc/19/92/41/720199241.db2.gz VDBQSBDMSAKLJV-JXFKEZNVSA-N 1 1 418.498 1.836 20 5 HDBDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])CCC2 ZINC001164814756 720225902 /nfs/dbraw/zinc/22/59/02/720225902.db2.gz YGBMHMKTFHPBEJ-UHFFFAOYSA-N 1 1 422.873 1.689 20 5 HDBDMO COc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncc1[N+](=O)[O-] ZINC001164742206 720824155 /nfs/dbraw/zinc/82/41/55/720824155.db2.gz QBOQEKPMIDQUSI-IXDOHACOSA-N 1 1 413.482 1.969 20 5 HDBDMO COCC[N@H+]1CCO[C@H]2CN(c3ncnc4cc(OC)c([N+](=O)[O-])cc43)CC[C@H]2C1 ZINC001164860964 720856624 /nfs/dbraw/zinc/85/66/24/720856624.db2.gz XMODXEGKMSJDLQ-LIRRHRJNSA-N 1 1 417.466 1.720 20 5 HDBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H]2C[N@@H+](CCOC)CCO[C@@H]2C1 ZINC001164852124 720865064 /nfs/dbraw/zinc/86/50/64/720865064.db2.gz CCFJRWMMHAQBPJ-WMLDXEAASA-N 1 1 408.455 1.340 20 5 HDBDMO COc1nc(C)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164866186 721089107 /nfs/dbraw/zinc/08/91/07/721089107.db2.gz RRZIIGISIVXYRY-CVEARBPZSA-N 1 1 400.439 1.577 20 5 HDBDMO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164865117 721110565 /nfs/dbraw/zinc/11/05/65/721110565.db2.gz IMAFCRXEVVHKMX-JKSUJKDBSA-N 1 1 405.842 1.756 20 5 HDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164764775 721240351 /nfs/dbraw/zinc/24/03/51/721240351.db2.gz QBBLNGDYFSWKLO-CVEARBPZSA-N 1 1 414.470 1.343 20 5 HDBDMO COc1ncnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001164975769 722118078 /nfs/dbraw/zinc/11/80/78/722118078.db2.gz KYLONBXQXMZWEG-HOTGVXAUSA-N 1 1 400.439 1.516 20 5 HDBDMO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164977336 722118531 /nfs/dbraw/zinc/11/85/31/722118531.db2.gz MOTGCZWFZAVNPQ-IAGOWNOFSA-N 1 1 414.466 1.824 20 5 HDBDMO C[C@@H](C(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543526800 1074012616 /nfs/dbraw/zinc/01/26/16/1074012616.db2.gz IQPDQVLCZINDKS-OCCSQVGLSA-N 1 1 401.460 1.415 20 5 HDBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)cn1 ZINC000731457556 1075364954 /nfs/dbraw/zinc/36/49/54/1075364954.db2.gz WWJGCPGFMGXSIP-UHFFFAOYSA-N 1 1 404.390 1.995 20 5 HDBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000732030659 1075590572 /nfs/dbraw/zinc/59/05/72/1075590572.db2.gz NCKXLBVDDFZEDG-LLVKDONJSA-N 1 1 420.438 1.590 20 5 HDBDMO CNc1nccc(C(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000553163240 1075850697 /nfs/dbraw/zinc/85/06/97/1075850697.db2.gz KVVNSXFOSHLANQ-GASCZTMLSA-N 1 1 405.499 2.383 20 5 HDBDMO COc1ccc(NC(=O)[C@H](C)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000611244241 1075885804 /nfs/dbraw/zinc/88/58/04/1075885804.db2.gz MOCPVLOMGJHDNU-GUYCJALGSA-N 1 1 419.482 1.345 20 5 HDBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)CN1CC[NH+](C)CC1 ZINC000733882520 1076238015 /nfs/dbraw/zinc/23/80/15/1076238015.db2.gz QPRFBWSFUJGAOF-MRXNPFEDSA-N 1 1 405.499 1.045 20 5 HDBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000728072941 1076332989 /nfs/dbraw/zinc/33/29/89/1076332989.db2.gz NHAMQBHDFJJQSC-INIZCTEOSA-N 1 1 402.455 1.003 20 5 HDBDMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001164703432 719851881 /nfs/dbraw/zinc/85/18/81/719851881.db2.gz PUQUKFMXVKHMOP-QRWLVFNGSA-N 1 1 415.450 1.771 20 5 HDBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(NC(C)=O)nc(C)c1[N+](=O)[O-])C2 ZINC001164814603 720198914 /nfs/dbraw/zinc/19/89/14/720198914.db2.gz VDBQSBDMSAKLJV-OXQOHEQNSA-N 1 1 418.498 1.836 20 5 HDBDMO COc1cc2ncnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2cc1[N+](=O)[O-] ZINC001164736894 720701943 /nfs/dbraw/zinc/70/19/43/720701943.db2.gz CCANXTIHMBLNFA-ZIAGYGMSSA-N 1 1 423.433 1.679 20 5 HDBDMO COc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ccc1[N+](=O)[O-] ZINC001164738777 720817375 /nfs/dbraw/zinc/81/73/75/720817375.db2.gz GLGUWVMPVFBYEY-YESZJQIVSA-N 1 1 413.482 1.969 20 5 HDBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870090 721054734 /nfs/dbraw/zinc/05/47/34/721054734.db2.gz VQWXXTJZRLSZNF-SJORKVTESA-N 1 1 413.434 1.651 20 5 HDBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164766637 721082652 /nfs/dbraw/zinc/08/26/52/721082652.db2.gz LBKMLLVXHUQMOI-HUUCEWRRSA-N 1 1 400.439 1.468 20 5 HDBDMO COC(=O)c1ccnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164865546 721099202 /nfs/dbraw/zinc/09/92/02/721099202.db2.gz MOWDTLMPCKKOCW-CVEARBPZSA-N 1 1 413.434 1.651 20 5 HDBDMO COc1nc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164766359 721129112 /nfs/dbraw/zinc/12/91/12/721129112.db2.gz KRNJMJPASOULDV-ZIAGYGMSSA-N 1 1 403.443 1.094 20 5 HDBDMO COc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)ncc1[N+](=O)[O-] ZINC001164795126 721524737 /nfs/dbraw/zinc/52/47/37/721524737.db2.gz JSVKCPIILZCDGB-XIRDDKMYSA-N 1 1 400.439 1.657 20 5 HDBDMO COc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)ncc1[N+](=O)[O-] ZINC001164795126 721524741 /nfs/dbraw/zinc/52/47/41/721524741.db2.gz JSVKCPIILZCDGB-XIRDDKMYSA-N 1 1 400.439 1.657 20 5 HDBDMO COc1nc(C)c([N+](=O)[O-])c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164800342 721554271 /nfs/dbraw/zinc/55/42/71/721554271.db2.gz FBPDSYCXBOYURP-RYRKJORJSA-N 1 1 414.466 1.965 20 5 HDBDMO COc1nc(C)c([N+](=O)[O-])c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164800342 721554275 /nfs/dbraw/zinc/55/42/75/721554275.db2.gz FBPDSYCXBOYURP-RYRKJORJSA-N 1 1 414.466 1.965 20 5 HDBDMO COc1ncnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001164975767 722118401 /nfs/dbraw/zinc/11/84/01/722118401.db2.gz KYLONBXQXMZWEG-CVEARBPZSA-N 1 1 400.439 1.516 20 5 HDBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1 ZINC001164996055 722230573 /nfs/dbraw/zinc/23/05/73/722230573.db2.gz BVSSSADAOLYLIR-UHFFFAOYSA-N 1 1 418.889 1.494 20 5 HDBDMO C[NH+]1CCN(c2ncnc3c2CCN(c2ncnc4cc([N+](=O)[O-])ccc42)CC3)CC1 ZINC001164997966 722232615 /nfs/dbraw/zinc/23/26/15/722232615.db2.gz ZEWGAZSCQYNXJT-UHFFFAOYSA-N 1 1 420.477 1.685 20 5 HDBDMO C[NH+]1CCN(c2ncnc3c2CCN(c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])CC3)CC1 ZINC001164996786 722235590 /nfs/dbraw/zinc/23/55/90/722235590.db2.gz JCFYVAMZWAPCEV-UHFFFAOYSA-N 1 1 419.873 1.029 20 5 HDBDMO C[NH+]1CCN(c2ncnc3c2CCN(c2cc([N+](=O)[O-])c4cc[nH]c4n2)CC3)CC1 ZINC001164997750 722235855 /nfs/dbraw/zinc/23/58/55/722235855.db2.gz VFUNMFKPTODZEA-UHFFFAOYSA-N 1 1 408.466 1.618 20 5 HDBDMO CC(C)[C@@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000303603221 1073759029 /nfs/dbraw/zinc/75/90/29/1073759029.db2.gz QHFWKWUEILEVOL-GOSISDBHSA-N 1 1 401.471 1.177 20 5 HDBDMO COC(=O)c1cc(C)nc(NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000561257505 1074806293 /nfs/dbraw/zinc/80/62/93/1074806293.db2.gz DNTVTTZIKNZJOF-CVEARBPZSA-N 1 1 400.435 2.132 20 5 HDBDMO C[NH+]1CCN(C(=O)CC2CCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)CC2)CC1 ZINC000731352446 1075316505 /nfs/dbraw/zinc/31/65/05/1075316505.db2.gz YGARJWBBTKGHCG-UHFFFAOYSA-N 1 1 415.494 1.860 20 5 HDBDMO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000731600234 1075406161 /nfs/dbraw/zinc/40/61/61/1075406161.db2.gz YIKRQIQPKICFFA-OAHLLOKOSA-N 1 1 407.423 1.118 20 5 HDBDMO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000731620581 1075416469 /nfs/dbraw/zinc/41/64/69/1075416469.db2.gz ZSHLFZDRLIDAGU-INIZCTEOSA-N 1 1 421.450 1.508 20 5 HDBDMO CCOc1cc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000611276789 1075890317 /nfs/dbraw/zinc/89/03/17/1075890317.db2.gz LAKAGUZCQFIIIQ-CALCHBBNSA-N 1 1 420.466 1.505 20 5 HDBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000733164257 1075997816 /nfs/dbraw/zinc/99/78/16/1075997816.db2.gz NQSKTSIDHBDFCY-UHFFFAOYSA-N 1 1 419.526 1.529 20 5 HDBDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000733164257 1075997817 /nfs/dbraw/zinc/99/78/17/1075997817.db2.gz NQSKTSIDHBDFCY-UHFFFAOYSA-N 1 1 419.526 1.529 20 5 HDBDMO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)C1=O ZINC000727170338 1076068848 /nfs/dbraw/zinc/06/88/48/1076068848.db2.gz UMGIFGVJDNNMCS-ORAYPTAESA-N 1 1 403.439 1.297 20 5 HDBDMO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)C1=O ZINC000727170338 1076068852 /nfs/dbraw/zinc/06/88/52/1076068852.db2.gz UMGIFGVJDNNMCS-ORAYPTAESA-N 1 1 403.439 1.297 20 5 HDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000727464528 1076136420 /nfs/dbraw/zinc/13/64/20/1076136420.db2.gz UGRDELPPJPDFGE-OAHLLOKOSA-N 1 1 418.416 1.429 20 5 HDBDMO CNS(=O)(=O)c1cccc(NC(=O)C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000730106823 1076439602 /nfs/dbraw/zinc/43/96/02/1076439602.db2.gz KUVGOUSUUKEQQQ-UHFFFAOYSA-N 1 1 408.436 1.240 20 5 HDBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000730644981 1076623177 /nfs/dbraw/zinc/62/31/77/1076623177.db2.gz RALURMOMKVTACV-CYBMUJFWSA-N 1 1 413.858 1.878 20 5 HDBDMO CCOC(=O)C(C(=O)OCC)c1nc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001164637936 719258443 /nfs/dbraw/zinc/25/84/43/719258443.db2.gz XGQGFBHBPXXOCJ-CHWSQXEVSA-N 1 1 408.455 1.728 20 5 HDBDMO CCOc1nc(N2CCC[C@]3(C2)COCC[N@H+](CC(=O)NC)C3)ccc1[N+](=O)[O-] ZINC001164722840 720269714 /nfs/dbraw/zinc/26/97/14/720269714.db2.gz SNBZVJKLIKNURS-IBGZPJMESA-N 1 1 407.471 1.053 20 5 HDBDMO CCOc1nc(N2CCC[C@]3(C2)COCC[N@@H+](CC(=O)NC)C3)ccc1[N+](=O)[O-] ZINC001164722840 720269723 /nfs/dbraw/zinc/26/97/23/720269723.db2.gz SNBZVJKLIKNURS-IBGZPJMESA-N 1 1 407.471 1.053 20 5 HDBDMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4cccc([N+](=O)[O-])c43)C2)C1 ZINC001164721325 720303541 /nfs/dbraw/zinc/30/35/41/720303541.db2.gz FXOQXEJRFXAFHM-FQEVSTJZSA-N 1 1 414.466 1.203 20 5 HDBDMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4cccc([N+](=O)[O-])c43)C2)C1 ZINC001164721325 720303546 /nfs/dbraw/zinc/30/35/46/720303546.db2.gz FXOQXEJRFXAFHM-FQEVSTJZSA-N 1 1 414.466 1.203 20 5 HDBDMO CCOC(=O)c1ccnc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164752770 720800269 /nfs/dbraw/zinc/80/02/69/720800269.db2.gz ZSQJSJCTZZAKIF-UONOGXRCSA-N 1 1 414.422 1.298 20 5 HDBDMO COCC[N@H+]1CCO[C@H]2CN(c3nc(SC)nc(Cl)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164852871 720838078 /nfs/dbraw/zinc/83/80/78/720838078.db2.gz MEDSXGFQITZEHB-NEPJUHHUSA-N 1 1 417.919 1.934 20 5 HDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164866759 721190857 /nfs/dbraw/zinc/19/08/57/721190857.db2.gz CPNBVCPHJCVLPN-HOTGVXAUSA-N 1 1 413.434 1.651 20 5 HDBDMO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543621144 1074822312 /nfs/dbraw/zinc/82/23/12/1074822312.db2.gz GLPKUXKHQVSUAL-UHFFFAOYSA-N 1 1 423.495 1.037 20 5 HDBDMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000732063195 1075599632 /nfs/dbraw/zinc/59/96/32/1075599632.db2.gz XRNIUVFILNOJEJ-OAHLLOKOSA-N 1 1 424.417 1.998 20 5 HDBDMO CC(C)([NH2+]CC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1[N+](=O)[O-] ZINC000429264454 1075736423 /nfs/dbraw/zinc/73/64/23/1075736423.db2.gz MSNURMQNIUMPKL-UHFFFAOYSA-N 1 1 400.435 1.997 20 5 HDBDMO CCOc1cc(NC(=O)C(=O)N2CC[N@H+](CC)[C@H](C)C2)c([N+](=O)[O-])cc1OCC ZINC000611100434 1075833923 /nfs/dbraw/zinc/83/39/23/1075833923.db2.gz DKDZNPXYGQVLLQ-CYBMUJFWSA-N 1 1 408.455 1.883 20 5 HDBDMO CCOc1cc(NC(=O)C(=O)N2CC[N@@H+](CC)[C@H](C)C2)c([N+](=O)[O-])cc1OCC ZINC000611100434 1075833927 /nfs/dbraw/zinc/83/39/27/1075833927.db2.gz DKDZNPXYGQVLLQ-CYBMUJFWSA-N 1 1 408.455 1.883 20 5 HDBDMO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000611151261 1075862925 /nfs/dbraw/zinc/86/29/25/1075862925.db2.gz USBHHXABMCTBFR-INIZCTEOSA-N 1 1 401.467 1.141 20 5 HDBDMO CN1CCC([N@@H+]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2)CC1 ZINC000732781498 1075865064 /nfs/dbraw/zinc/86/50/64/1075865064.db2.gz RJMZGXMTMWRVLJ-INIZCTEOSA-N 1 1 417.510 1.330 20 5 HDBDMO CN1CCC([N@H+]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2)CC1 ZINC000732781498 1075865067 /nfs/dbraw/zinc/86/50/67/1075865067.db2.gz RJMZGXMTMWRVLJ-INIZCTEOSA-N 1 1 417.510 1.330 20 5 HDBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000611206592 1075873875 /nfs/dbraw/zinc/87/38/75/1075873875.db2.gz OAHIESCNBIMXBH-OAHLLOKOSA-N 1 1 408.524 1.843 20 5 HDBDMO CCOc1cc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)ccc1OCCn1c(C)ncc1[N+](=O)[O-] ZINC000611272160 1075889821 /nfs/dbraw/zinc/88/98/21/1075889821.db2.gz MPIHQQBVFNNLDJ-IYBDPMFKSA-N 1 1 406.439 1.115 20 5 HDBDMO CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CC[NH+](C)CC1 ZINC000733156781 1075989539 /nfs/dbraw/zinc/98/95/39/1075989539.db2.gz OWYIVOSMOBHSQQ-FQEVSTJZSA-N 1 1 419.526 1.433 20 5 HDBDMO CN(C(=O)c1cc(F)ccc1[N+](=O)[O-])C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000729980767 1076404552 /nfs/dbraw/zinc/40/45/52/1076404552.db2.gz WISLDCKAXALMFU-UHFFFAOYSA-N 1 1 421.473 1.044 20 5 HDBDMO O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000730083802 1076430591 /nfs/dbraw/zinc/43/05/91/1076430591.db2.gz WKRKHXLVTOKIGG-RTBURBONSA-N 1 1 404.467 1.103 20 5 HDBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164746834 720730439 /nfs/dbraw/zinc/73/04/39/720730439.db2.gz YSJLZTDEZONOBJ-HUUCEWRRSA-N 1 1 414.422 1.298 20 5 HDBDMO COc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncc1[N+](=O)[O-] ZINC001164742208 720824039 /nfs/dbraw/zinc/82/40/39/720824039.db2.gz QBOQEKPMIDQUSI-YESZJQIVSA-N 1 1 413.482 1.969 20 5 HDBDMO COC(=O)c1ccnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164865548 721099500 /nfs/dbraw/zinc/09/95/00/721099500.db2.gz MOWDTLMPCKKOCW-HZPDHXFCSA-N 1 1 413.434 1.651 20 5 HDBDMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc4[nH]cc([N+](=O)[O-])c4n3)CC2)C1 ZINC001164875657 721277219 /nfs/dbraw/zinc/27/72/19/721277219.db2.gz YSPMSYFYSLIKEH-UHFFFAOYSA-N 1 1 416.482 1.478 20 5 HDBDMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)CC2)C1 ZINC001164872466 721280657 /nfs/dbraw/zinc/28/06/57/721280657.db2.gz DPIKQMDUTGGCKZ-UHFFFAOYSA-N 1 1 416.482 1.478 20 5 HDBDMO COC(=O)c1nc(Cl)nc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164784410 721398478 /nfs/dbraw/zinc/39/84/78/721398478.db2.gz JXJRTSVGUYKVAZ-AOOOYVTPSA-N 1 1 424.870 1.850 20 5 HDBDMO COC(=O)c1nc(Cl)nc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164784410 721398481 /nfs/dbraw/zinc/39/84/81/721398481.db2.gz JXJRTSVGUYKVAZ-AOOOYVTPSA-N 1 1 424.870 1.850 20 5 HDBDMO COc1ncnc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1[N+](=O)[O-] ZINC001164886552 721411141 /nfs/dbraw/zinc/41/11/41/721411141.db2.gz JVPUWKPAZOGSNO-DNVCBOLYSA-N 1 1 406.487 1.159 20 5 HDBDMO COc1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164984289 722099358 /nfs/dbraw/zinc/09/93/58/722099358.db2.gz SBWATHOUESSCDS-WBVHZDCISA-N 1 1 400.439 1.516 20 5 HDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000302153107 1073587369 /nfs/dbraw/zinc/58/73/69/1073587369.db2.gz VAQZQCZHCIQYTG-GASCZTMLSA-N 1 1 411.528 1.237 20 5 HDBDMO COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)c1C ZINC000303218027 1073686931 /nfs/dbraw/zinc/68/69/31/1073686931.db2.gz UJPRQHIFWXWCSL-UHFFFAOYSA-N 1 1 416.482 1.935 20 5 HDBDMO CC(C)[C@@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[NH+]1CCN(C)CC1 ZINC000303583433 1073756340 /nfs/dbraw/zinc/75/63/40/1073756340.db2.gz NBZFXWVECTZGNU-LJQANCHMSA-N 1 1 400.483 1.782 20 5 HDBDMO C[C@H](O)C[N@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000502000117 1073799973 /nfs/dbraw/zinc/79/99/73/1073799973.db2.gz BWPPYPSAGAIEGT-NEPJUHHUSA-N 1 1 415.288 1.683 20 5 HDBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000429389285 1075331456 /nfs/dbraw/zinc/33/14/56/1075331456.db2.gz UVJNZAYXQHMEDP-ZBFHGGJFSA-N 1 1 412.512 1.392 20 5 HDBDMO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000731620582 1075416575 /nfs/dbraw/zinc/41/65/75/1075416575.db2.gz ZSHLFZDRLIDAGU-MRXNPFEDSA-N 1 1 421.450 1.508 20 5 HDBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000732065274 1075599937 /nfs/dbraw/zinc/59/99/37/1075599937.db2.gz YIODGECCTPVEIH-BFHYXJOUSA-N 1 1 408.480 1.240 20 5 HDBDMO C[C@@](O)(CNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1)C[NH+]1CCOCC1 ZINC000462514435 1075737669 /nfs/dbraw/zinc/73/76/69/1075737669.db2.gz UWUILWWIUDCYSR-HXUWFJFHSA-N 1 1 402.451 2.064 20 5 HDBDMO COCCN(C(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000429266712 1075745930 /nfs/dbraw/zinc/74/59/30/1075745930.db2.gz VJPVVBZSTDZOHX-CQSZACIVSA-N 1 1 413.496 1.082 20 5 HDBDMO CCN1CCN(c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611084388 1075831807 /nfs/dbraw/zinc/83/18/07/1075831807.db2.gz JSRYLMPKIHFPPG-HNNXBMFYSA-N 1 1 413.544 1.355 20 5 HDBDMO CC(C)N1CC[NH+](C2CCN(c3cc([N+](=O)[O-])cc(S(N)(=O)=O)c3)CC2)CC1 ZINC000611166154 1075865205 /nfs/dbraw/zinc/86/52/05/1075865205.db2.gz TXDAIXULVNBWBS-UHFFFAOYSA-N 1 1 411.528 1.237 20 5 HDBDMO C[C@H](NC(=O)c1cc(I)cc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000611223421 1075879959 /nfs/dbraw/zinc/87/99/59/1075879959.db2.gz QYLJDIXNUNMOJF-ZANVPECISA-N 1 1 419.219 1.648 20 5 HDBDMO C[C@H](NC(=O)c1cc(I)cc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000611223421 1075879962 /nfs/dbraw/zinc/87/99/62/1075879962.db2.gz QYLJDIXNUNMOJF-ZANVPECISA-N 1 1 419.219 1.648 20 5 HDBDMO Cc1c(NC(=O)[C@@H](C)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000611244212 1075885738 /nfs/dbraw/zinc/88/57/38/1075885738.db2.gz JLSUPJCQBODOEY-RDTXWAMCSA-N 1 1 403.483 1.644 20 5 HDBDMO Cc1c(NC(=O)[C@H](C)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000611244209 1075885768 /nfs/dbraw/zinc/88/57/68/1075885768.db2.gz JLSUPJCQBODOEY-KBXCAEBGSA-N 1 1 403.483 1.644 20 5 HDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCC3)CC2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000733302007 1076033686 /nfs/dbraw/zinc/03/36/86/1076033686.db2.gz GRNPOHUEXROZON-UHFFFAOYSA-N 1 1 410.496 1.290 20 5 HDBDMO COCC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000730020415 1076411457 /nfs/dbraw/zinc/41/14/57/1076411457.db2.gz AIYRNXGJBYYRKG-LLVKDONJSA-N 1 1 422.301 1.746 20 5 HDBDMO COCC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000730020415 1076411473 /nfs/dbraw/zinc/41/14/73/1076411473.db2.gz AIYRNXGJBYYRKG-LLVKDONJSA-N 1 1 422.301 1.746 20 5 HDBDMO O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000730083801 1076430700 /nfs/dbraw/zinc/43/07/00/1076430700.db2.gz WKRKHXLVTOKIGG-RBUKOAKNSA-N 1 1 404.467 1.103 20 5 HDBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(OC)c([N+](=O)[O-])c(OC)n1)C2 ZINC001164809603 720114363 /nfs/dbraw/zinc/11/43/63/720114363.db2.gz HMYGKLNRBONGEK-IFXJQAMLSA-N 1 1 407.471 1.587 20 5 HDBDMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc4ccc([N+](=O)[O-])cc4n3)C2)C1 ZINC001164720462 720237853 /nfs/dbraw/zinc/23/78/53/720237853.db2.gz WKNGSSZBHAAMIG-NRFANRHFSA-N 1 1 413.478 1.808 20 5 HDBDMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc4ccc([N+](=O)[O-])cc4n3)C2)C1 ZINC001164720462 720237863 /nfs/dbraw/zinc/23/78/63/720237863.db2.gz WKNGSSZBHAAMIG-NRFANRHFSA-N 1 1 413.478 1.808 20 5 HDBDMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)C2)C1 ZINC001164721298 720269199 /nfs/dbraw/zinc/26/91/99/720269199.db2.gz JGSAIYYMFWFKRQ-IBGZPJMESA-N 1 1 402.455 1.136 20 5 HDBDMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)C2)C1 ZINC001164721298 720269203 /nfs/dbraw/zinc/26/92/03/720269203.db2.gz JGSAIYYMFWFKRQ-IBGZPJMESA-N 1 1 402.455 1.136 20 5 HDBDMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC001164721492 720308921 /nfs/dbraw/zinc/30/89/21/720308921.db2.gz HBLLEOBHWRIKMZ-NRFANRHFSA-N 1 1 413.478 1.808 20 5 HDBDMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nccc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC001164721492 720308927 /nfs/dbraw/zinc/30/89/27/720308927.db2.gz HBLLEOBHWRIKMZ-NRFANRHFSA-N 1 1 413.478 1.808 20 5 HDBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164740857 720631012 /nfs/dbraw/zinc/63/10/12/720631012.db2.gz JLIVKXROZZLLGJ-MNOVXSKESA-N 1 1 423.886 1.892 20 5 HDBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743120 720836637 /nfs/dbraw/zinc/83/66/37/720836637.db2.gz ISMAUZCOSZWVSF-JENIJYKNSA-N 1 1 413.482 1.508 20 5 HDBDMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(/C=C/N(C)C)c([N+](=O)[O-])cn3)CC[C@H]2C1 ZINC001164856602 720873280 /nfs/dbraw/zinc/87/32/80/720873280.db2.gz IKSVZSKFVLGVDF-PDGPTWFESA-N 1 1 405.499 1.696 20 5 HDBDMO COc1nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164863564 721086748 /nfs/dbraw/zinc/08/67/48/721086748.db2.gz CWSPKQJNFJUESA-LSDHHAIUSA-N 1 1 416.438 1.277 20 5 HDBDMO CCOC(=O)c1ccnc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164761921 721231367 /nfs/dbraw/zinc/23/13/67/721231367.db2.gz KIMIQATWXVMZNK-JKSUJKDBSA-N 1 1 414.466 1.858 20 5 HDBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)n1 ZINC001164874417 721275596 /nfs/dbraw/zinc/27/55/96/721275596.db2.gz RCVYOPSSSZYASS-UHFFFAOYSA-N 1 1 405.499 1.614 20 5 HDBDMO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164884563 721410906 /nfs/dbraw/zinc/41/09/06/721410906.db2.gz DXBAPJNFTKDJNH-JXFKEZNVSA-N 1 1 420.514 1.467 20 5 HDBDMO COc1nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164902978 721533389 /nfs/dbraw/zinc/53/33/89/721533389.db2.gz BNRPBTTUDHFSGN-ZFWWWQNUSA-N 1 1 419.413 1.883 20 5 HDBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000229003505 1074069555 /nfs/dbraw/zinc/06/95/55/1074069555.db2.gz BZUSRDFSXALDCP-RCJHGTSTSA-N 1 1 418.494 1.813 20 5 HDBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000229003505 1074069563 /nfs/dbraw/zinc/06/95/63/1074069563.db2.gz BZUSRDFSXALDCP-RCJHGTSTSA-N 1 1 418.494 1.813 20 5 HDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCCN3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC001129186477 1075399425 /nfs/dbraw/zinc/39/94/25/1075399425.db2.gz ZYVGIEXMRJRNMA-JLSDUUJJSA-N 1 1 422.507 1.301 20 5 HDBDMO COc1ccc(NC(=O)CC[NH+]2CCN(c3nc(N)ns3)CC2)c([N+](=O)[O-])c1 ZINC000440568361 1075623202 /nfs/dbraw/zinc/62/32/02/1075623202.db2.gz XNCGDOATRWKFIQ-UHFFFAOYSA-N 1 1 407.456 1.188 20 5 HDBDMO CNS(=O)(=O)CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000732199728 1075674278 /nfs/dbraw/zinc/67/42/78/1075674278.db2.gz OYQYIONMUQCCNG-UHFFFAOYSA-N 1 1 410.418 1.675 20 5 HDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN(c2nc(N)ns2)CC1 ZINC000469318888 1075701947 /nfs/dbraw/zinc/70/19/47/1075701947.db2.gz OHWZUZLDXKPXMF-UHFFFAOYSA-N 1 1 407.456 1.188 20 5 HDBDMO CC(=O)N1CC[NH+](CCOc2ccc(CCNc3ncc([N+](=O)[O-])cn3)cc2)CC1 ZINC000545475044 1075720717 /nfs/dbraw/zinc/72/07/17/1075720717.db2.gz MXNKLAIISJAEMZ-UHFFFAOYSA-N 1 1 414.466 1.582 20 5 HDBDMO CC[N@H+]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000611087673 1075827181 /nfs/dbraw/zinc/82/71/81/1075827181.db2.gz CARVFQKCIVSRDY-RHSMWYFYSA-N 1 1 410.496 1.301 20 5 HDBDMO CCn1cc(S(=O)(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000611105472 1075837935 /nfs/dbraw/zinc/83/79/35/1075837935.db2.gz SNMSJMDDLCMSMM-MRXNPFEDSA-N 1 1 407.496 1.654 20 5 HDBDMO CNc1nccc(C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000553302410 1075853278 /nfs/dbraw/zinc/85/32/78/1075853278.db2.gz DMTDXAXCPSMEPL-GOSISDBHSA-N 1 1 412.494 2.140 20 5 HDBDMO CNc1nccc(C(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000553302410 1075853284 /nfs/dbraw/zinc/85/32/84/1075853284.db2.gz DMTDXAXCPSMEPL-GOSISDBHSA-N 1 1 412.494 2.140 20 5 HDBDMO CNc1nccc(C(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000553302410 1075853292 /nfs/dbraw/zinc/85/32/92/1075853292.db2.gz DMTDXAXCPSMEPL-GOSISDBHSA-N 1 1 412.494 2.140 20 5 HDBDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)CC2)C1 ZINC000611462392 1075936628 /nfs/dbraw/zinc/93/66/28/1075936628.db2.gz YNOSPCORYWBOTK-QGZVFWFLSA-N 1 1 417.510 1.283 20 5 HDBDMO COC(=O)[C@@H]1CC12CC[NH+](CN1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000733791915 1076208582 /nfs/dbraw/zinc/20/85/82/1076208582.db2.gz GUELMOKOEFAKRR-HNNXBMFYSA-N 1 1 402.407 1.596 20 5 HDBDMO Cc1cc(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c(N)c([N+](=O)[O-])c1 ZINC000727766981 1076220688 /nfs/dbraw/zinc/22/06/88/1076220688.db2.gz OUFFZMCNNUEJHN-UHFFFAOYSA-N 1 1 411.462 1.803 20 5 HDBDMO COCCN1CC[N@H+](C)C2(CCN(c3nccc4cc([N+](=O)[O-])ccc43)CC2)C1=O ZINC001164644135 719284998 /nfs/dbraw/zinc/28/49/98/719284998.db2.gz FDFUMYXRUWLRKW-UHFFFAOYSA-N 1 1 413.478 1.902 20 5 HDBDMO COCCN1CC[N@@H+](C)C2(CCN(c3nccc4cc([N+](=O)[O-])ccc43)CC2)C1=O ZINC001164644135 719285004 /nfs/dbraw/zinc/28/50/04/719285004.db2.gz FDFUMYXRUWLRKW-UHFFFAOYSA-N 1 1 413.478 1.902 20 5 HDBDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)ncc1[N+](=O)[O-])CCC2 ZINC001164812817 720210785 /nfs/dbraw/zinc/21/07/85/720210785.db2.gz MJGMEIQOJWTDMN-UHFFFAOYSA-N 1 1 407.862 1.845 20 5 HDBDMO COc1cc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)ncc1[N+](=O)[O-] ZINC001164814737 720219011 /nfs/dbraw/zinc/21/90/11/720219011.db2.gz XJYANEGDVDVIBO-UHFFFAOYSA-N 1 1 402.455 1.806 20 5 HDBDMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc4c(cccc4[N+](=O)[O-])n3)C2)C1 ZINC001164718942 720243055 /nfs/dbraw/zinc/24/30/55/720243055.db2.gz ILQNJQYSLMHQJZ-NRFANRHFSA-N 1 1 413.478 1.808 20 5 HDBDMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc4c(cccc4[N+](=O)[O-])n3)C2)C1 ZINC001164718942 720243074 /nfs/dbraw/zinc/24/30/74/720243074.db2.gz ILQNJQYSLMHQJZ-NRFANRHFSA-N 1 1 413.478 1.808 20 5 HDBDMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nccc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC001164721576 720278595 /nfs/dbraw/zinc/27/85/95/720278595.db2.gz LHGBAIPRUCDHDG-NRFANRHFSA-N 1 1 413.478 1.808 20 5 HDBDMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nccc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC001164721576 720278605 /nfs/dbraw/zinc/27/86/05/720278605.db2.gz LHGBAIPRUCDHDG-NRFANRHFSA-N 1 1 413.478 1.808 20 5 HDBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164746833 720730784 /nfs/dbraw/zinc/73/07/84/720730784.db2.gz YSJLZTDEZONOBJ-GJZGRUSLSA-N 1 1 414.422 1.298 20 5 HDBDMO COc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ncc1[N+](=O)[O-] ZINC001164742202 720824047 /nfs/dbraw/zinc/82/40/47/720824047.db2.gz QBOQEKPMIDQUSI-BRWVUGGUSA-N 1 1 413.482 1.969 20 5 HDBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743125 720837556 /nfs/dbraw/zinc/83/75/56/720837556.db2.gz ISMAUZCOSZWVSF-ZIFCJYIRSA-N 1 1 413.482 1.508 20 5 HDBDMO COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4cc(OC)c([N+](=O)[O-])cc43)CC[C@H]2C1 ZINC001164860959 720857087 /nfs/dbraw/zinc/85/70/87/720857087.db2.gz XMODXEGKMSJDLQ-IFXJQAMLSA-N 1 1 417.466 1.720 20 5 HDBDMO COC(=O)c1cnc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164761684 721103746 /nfs/dbraw/zinc/10/37/46/721103746.db2.gz AFXXGKSZCIGSBI-HOCLYGCPSA-N 1 1 400.439 1.468 20 5 HDBDMO COc1nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164766358 721130585 /nfs/dbraw/zinc/13/05/85/721130585.db2.gz KRNJMJPASOULDV-UONOGXRCSA-N 1 1 403.443 1.094 20 5 HDBDMO NS(=O)(=O)c1c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cccc1[N+](=O)[O-] ZINC000555650174 1073461688 /nfs/dbraw/zinc/46/16/88/1073461688.db2.gz CYSSRBKFBJDEMP-MRXNPFEDSA-N 1 1 420.491 1.945 20 5 HDBDMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNc3ccc4ncc([N+](=O)[O-])n4n3)c2)C1 ZINC000302017417 1073580475 /nfs/dbraw/zinc/58/04/75/1073580475.db2.gz ZADYAWDHMSNYLN-INIZCTEOSA-N 1 1 409.450 1.947 20 5 HDBDMO Cc1cc(NC(=O)CC[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)no1 ZINC000460355477 1075095701 /nfs/dbraw/zinc/09/57/01/1075095701.db2.gz XGSYGIDOCDILKD-UHFFFAOYSA-N 1 1 413.438 2.308 20 5 HDBDMO C[NH+]1CCN(C(=O)CC2CCN(Cn3c(=O)oc4ccc([N+](=O)[O-])cc43)CC2)CC1 ZINC000731355895 1075318871 /nfs/dbraw/zinc/31/88/71/1075318871.db2.gz HJBPDJNAXQEWLX-UHFFFAOYSA-N 1 1 417.466 1.336 20 5 HDBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000731640384 1075441597 /nfs/dbraw/zinc/44/15/97/1075441597.db2.gz ZVCBYZOXTRDOCI-QGZVFWFLSA-N 1 1 404.467 1.415 20 5 HDBDMO CC[N@H+]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000611088299 1075827979 /nfs/dbraw/zinc/82/79/79/1075827979.db2.gz OJFTVXCMFVRSBN-YJBOKZPZSA-N 1 1 424.523 1.691 20 5 HDBDMO COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000611194019 1075870378 /nfs/dbraw/zinc/87/03/78/1075870378.db2.gz JUABPMWIFJTCQH-WFASDCNBSA-N 1 1 411.480 1.699 20 5 HDBDMO COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000611194019 1075870386 /nfs/dbraw/zinc/87/03/86/1075870386.db2.gz JUABPMWIFJTCQH-WFASDCNBSA-N 1 1 411.480 1.699 20 5 HDBDMO O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000611462179 1075936719 /nfs/dbraw/zinc/93/67/19/1075936719.db2.gz NXGNTTQJDHGMMV-KRWDZBQOSA-N 1 1 418.494 1.758 20 5 HDBDMO Cc1nn(Cc2ccc(C(=O)N3CC[NH+](C(C)(C)CO)CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000611515608 1075952903 /nfs/dbraw/zinc/95/29/03/1075952903.db2.gz CBUAORIVEJEGTP-UHFFFAOYSA-N 1 1 415.494 1.985 20 5 HDBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000727464526 1076136505 /nfs/dbraw/zinc/13/65/05/1076136505.db2.gz UGRDELPPJPDFGE-HNNXBMFYSA-N 1 1 418.416 1.429 20 5 HDBDMO COCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000730020416 1076411569 /nfs/dbraw/zinc/41/15/69/1076411569.db2.gz AIYRNXGJBYYRKG-NSHDSACASA-N 1 1 422.301 1.746 20 5 HDBDMO COCC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000730020416 1076411572 /nfs/dbraw/zinc/41/15/72/1076411572.db2.gz AIYRNXGJBYYRKG-NSHDSACASA-N 1 1 422.301 1.746 20 5 HDBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(NC(C)=O)nc(C)c1[N+](=O)[O-])C2 ZINC001164814602 720199470 /nfs/dbraw/zinc/19/94/70/720199470.db2.gz VDBQSBDMSAKLJV-OXJNMPFZSA-N 1 1 418.498 1.836 20 5 HDBDMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC001164720195 720241394 /nfs/dbraw/zinc/24/13/94/720241394.db2.gz SFHWQHILXBCIJD-HXUWFJFHSA-N 1 1 414.466 1.203 20 5 HDBDMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC001164720195 720241403 /nfs/dbraw/zinc/24/14/03/720241403.db2.gz SFHWQHILXBCIJD-HXUWFJFHSA-N 1 1 414.466 1.203 20 5 HDBDMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc4c(cccc4[N+](=O)[O-])n3)C2)C1 ZINC001164718943 720244004 /nfs/dbraw/zinc/24/40/04/720244004.db2.gz ILQNJQYSLMHQJZ-OAQYLSRUSA-N 1 1 413.478 1.808 20 5 HDBDMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc4c(cccc4[N+](=O)[O-])n3)C2)C1 ZINC001164718943 720244007 /nfs/dbraw/zinc/24/40/07/720244007.db2.gz ILQNJQYSLMHQJZ-OAQYLSRUSA-N 1 1 413.478 1.808 20 5 HDBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164740862 720630490 /nfs/dbraw/zinc/63/04/90/720630490.db2.gz JLIVKXROZZLLGJ-WDEREUQCSA-N 1 1 423.886 1.892 20 5 HDBDMO CSc1nc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164738408 720709264 /nfs/dbraw/zinc/70/92/64/720709264.db2.gz JIDLYCWEPUFSPG-WDEREUQCSA-N 1 1 423.886 1.892 20 5 HDBDMO COc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ccc1[N+](=O)[O-] ZINC001164738774 720817283 /nfs/dbraw/zinc/81/72/83/720817283.db2.gz GLGUWVMPVFBYEY-BRWVUGGUSA-N 1 1 413.482 1.969 20 5 HDBDMO CCOC(=O)c1ccnc(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)c1[N+](=O)[O-] ZINC001164857710 720886141 /nfs/dbraw/zinc/88/61/41/720886141.db2.gz KLGVVKFQTJMQSH-GDBMZVCRSA-N 1 1 408.455 1.340 20 5 HDBDMO COc1nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164902976 721533040 /nfs/dbraw/zinc/53/30/40/721533040.db2.gz BNRPBTTUDHFSGN-HIFRSBDPSA-N 1 1 419.413 1.883 20 5 HDBDMO COc1nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)ncc1[N+](=O)[O-] ZINC001164958710 722051812 /nfs/dbraw/zinc/05/18/12/722051812.db2.gz FLRCROIHZOZGJS-UHFFFAOYSA-N 1 1 414.466 1.907 20 5 HDBDMO C[NH+]1CCN(c2ncnc3c2CCN(c2ccc4[nH]cc([N+](=O)[O-])c4n2)CC3)CC1 ZINC001164997781 722235093 /nfs/dbraw/zinc/23/50/93/722235093.db2.gz WQULOPVBLNPJPD-UHFFFAOYSA-N 1 1 408.466 1.618 20 5 HDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000302685148 1073617997 /nfs/dbraw/zinc/61/79/97/1073617997.db2.gz YBJSKYYQDXLXRE-IYBDPMFKSA-N 1 1 410.540 1.993 20 5 HDBDMO CC(C)[C@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[NH+]1CCN(C)CC1 ZINC000303583432 1073756413 /nfs/dbraw/zinc/75/64/13/1073756413.db2.gz NBZFXWVECTZGNU-IBGZPJMESA-N 1 1 400.483 1.782 20 5 HDBDMO CC(C)OC(=O)C[C@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000543498855 1073853923 /nfs/dbraw/zinc/85/39/23/1073853923.db2.gz RVMYQVOSCXIKKT-RDJZCZTQSA-N 1 1 406.483 1.730 20 5 HDBDMO CC(C)OC(=O)C[C@H](NC(=O)[C@@H](C)N1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000543498856 1073854047 /nfs/dbraw/zinc/85/40/47/1073854047.db2.gz RVMYQVOSCXIKKT-WBVHZDCISA-N 1 1 406.483 1.730 20 5 HDBDMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)CC2)CC1 ZINC000731352118 1075314972 /nfs/dbraw/zinc/31/49/72/1075314972.db2.gz FMDKLYNTSGOGGS-UHFFFAOYSA-N 1 1 422.457 1.515 20 5 HDBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000429389281 1075331477 /nfs/dbraw/zinc/33/14/77/1075331477.db2.gz UVJNZAYXQHMEDP-GOEBONIOSA-N 1 1 412.512 1.392 20 5 HDBDMO Cc1nc(N[C@H]2CCn3ccnc3C2)nc(N[C@@H]2CCn3cc[nH+]c3C2)c1[N+](=O)[O-] ZINC000489946731 1075525343 /nfs/dbraw/zinc/52/53/43/1075525343.db2.gz MXOMMVOFCSKHKJ-KGLIPLIRSA-N 1 1 409.454 1.940 20 5 HDBDMO Cc1nc(N[C@H]2CCn3cc[nH+]c3C2)nc(N[C@@H]2CCn3ccnc3C2)c1[N+](=O)[O-] ZINC000489946731 1075525346 /nfs/dbraw/zinc/52/53/46/1075525346.db2.gz MXOMMVOFCSKHKJ-KGLIPLIRSA-N 1 1 409.454 1.940 20 5 HDBDMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000732063194 1075599567 /nfs/dbraw/zinc/59/95/67/1075599567.db2.gz XRNIUVFILNOJEJ-HNNXBMFYSA-N 1 1 424.417 1.998 20 5 HDBDMO Cc1c(Br)cc(C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000611072432 1075825170 /nfs/dbraw/zinc/82/51/70/1075825170.db2.gz UHXQLNFGTZKERM-UHFFFAOYSA-N 1 1 413.272 1.512 20 5 HDBDMO CNc1nccc(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000561142229 1075853353 /nfs/dbraw/zinc/85/33/53/1075853353.db2.gz SJATXHRIPPLOJS-UHFFFAOYSA-N 1 1 412.494 1.969 20 5 HDBDMO COCCOc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C(C)(C)CO)CC2)cc1OC ZINC000611166017 1075865605 /nfs/dbraw/zinc/86/56/05/1075865605.db2.gz YQAKYMRJXXNZEF-UHFFFAOYSA-N 1 1 411.455 1.157 20 5 HDBDMO O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000611464731 1075941757 /nfs/dbraw/zinc/94/17/57/1075941757.db2.gz VAIKUFZSYHPPIH-SJLPKXTDSA-N 1 1 404.467 1.103 20 5 HDBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC000733170712 1076000961 /nfs/dbraw/zinc/00/09/61/1076000961.db2.gz QMXCTRDJLGGWEP-KRWDZBQOSA-N 1 1 419.526 1.435 20 5 HDBDMO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000731033955 1076715525 /nfs/dbraw/zinc/71/55/25/1076715525.db2.gz KQOFYKNIOUULAN-LBPRGKRZSA-N 1 1 422.301 1.746 20 5 HDBDMO COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000731033955 1076715534 /nfs/dbraw/zinc/71/55/34/1076715534.db2.gz KQOFYKNIOUULAN-LBPRGKRZSA-N 1 1 422.301 1.746 20 5 HDBDMO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000731216794 1076765515 /nfs/dbraw/zinc/76/55/15/1076765515.db2.gz XGCVZPLRJAPICT-WCQYABFASA-N 1 1 420.285 1.499 20 5 HDBDMO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000731216794 1076765531 /nfs/dbraw/zinc/76/55/31/1076765531.db2.gz XGCVZPLRJAPICT-WCQYABFASA-N 1 1 420.285 1.499 20 5 HDBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(OC)c([N+](=O)[O-])c(OC)n1)C2 ZINC001164809602 720113574 /nfs/dbraw/zinc/11/35/74/720113574.db2.gz HMYGKLNRBONGEK-AUUYWEPGSA-N 1 1 407.471 1.587 20 5 HDBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(NC(C)=O)nc(C)c1[N+](=O)[O-])C2 ZINC001164814604 720199029 /nfs/dbraw/zinc/19/90/29/720199029.db2.gz VDBQSBDMSAKLJV-UZLBHIALSA-N 1 1 418.498 1.836 20 5 HDBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C(=O)OC)ccc1[N+](=O)[O-])C2 ZINC001164814662 720202396 /nfs/dbraw/zinc/20/23/96/720202396.db2.gz VVSIOPQFJKQGJN-YWZLYKJASA-N 1 1 404.467 1.961 20 5 HDBDMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc4[nH]cc([N+](=O)[O-])c4n3)C2)C1 ZINC001164717501 720263181 /nfs/dbraw/zinc/26/31/81/720263181.db2.gz AAELUVMEDIJUGB-LJQANCHMSA-N 1 1 402.455 1.136 20 5 HDBDMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc4[nH]cc([N+](=O)[O-])c4n3)C2)C1 ZINC001164717501 720263195 /nfs/dbraw/zinc/26/31/95/720263195.db2.gz AAELUVMEDIJUGB-LJQANCHMSA-N 1 1 402.455 1.136 20 5 HDBDMO CN(C)/C=C/c1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164738567 720756774 /nfs/dbraw/zinc/75/67/74/720756774.db2.gz GBFBKBIGVPDGSK-OAZXXZECSA-N 1 1 411.466 1.654 20 5 HDBDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164849754 720844935 /nfs/dbraw/zinc/84/49/35/720844935.db2.gz CTJQKYGNOITGLA-WDEREUQCSA-N 1 1 406.270 1.865 20 5 HDBDMO COCC[N@H+]1CCO[C@@H]2CN(c3ncnc4cc(OC)c([N+](=O)[O-])cc43)CC[C@@H]2C1 ZINC001164860956 720856604 /nfs/dbraw/zinc/85/66/04/720856604.db2.gz XMODXEGKMSJDLQ-AUUYWEPGSA-N 1 1 417.466 1.720 20 5 HDBDMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(/C=C/N(C)C)c([N+](=O)[O-])cn3)CC[C@@H]2C1 ZINC001164856598 720873266 /nfs/dbraw/zinc/87/32/66/720873266.db2.gz IKSVZSKFVLGVDF-AIRBJGPQSA-N 1 1 405.499 1.696 20 5 HDBDMO C[NH+]1CCN(c2ncnc3c2CCN(c2cc(Cl)ncc2[N+](=O)[O-])CC3)CC1 ZINC001164997058 722230526 /nfs/dbraw/zinc/23/05/26/722230526.db2.gz NEYNZWHOSXEARQ-UHFFFAOYSA-N 1 1 403.874 1.790 20 5 HDBDMO CCN(CC)S(=O)(=O)c1ccc(N2CCN(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000429326415 1074777678 /nfs/dbraw/zinc/77/76/78/1074777678.db2.gz KZJPRAANFYQDGZ-UHFFFAOYSA-N 1 1 408.484 1.675 20 5 HDBDMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000534745949 1075229058 /nfs/dbraw/zinc/22/90/58/1075229058.db2.gz RPKAFBDURQKHQP-TZMCWYRMSA-N 1 1 400.439 1.742 20 5 HDBDMO CCN1CC[NH+](Cc2ccc(CNC(=O)c3ccnc(NC)c3[N+](=O)[O-])cc2)CC1 ZINC000561156846 1075232921 /nfs/dbraw/zinc/23/29/21/1075232921.db2.gz VSULSEZUEWDNTD-UHFFFAOYSA-N 1 1 412.494 2.099 20 5 HDBDMO O=C(C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000732212976 1075668974 /nfs/dbraw/zinc/66/89/74/1075668974.db2.gz VWMDVAYYJCGVHZ-LJQANCHMSA-N 1 1 415.494 1.330 20 5 HDBDMO O=C(C[N@H+]1CCC[C@@H](N2CCCC2=O)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000732212976 1075668978 /nfs/dbraw/zinc/66/89/78/1075668978.db2.gz VWMDVAYYJCGVHZ-LJQANCHMSA-N 1 1 415.494 1.330 20 5 HDBDMO O=C(C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000732201846 1075674586 /nfs/dbraw/zinc/67/45/86/1075674586.db2.gz PNNCWYDXERLXPB-RDJZCZTQSA-N 1 1 416.400 1.631 20 5 HDBDMO O=C(C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000732201846 1075674592 /nfs/dbraw/zinc/67/45/92/1075674592.db2.gz PNNCWYDXERLXPB-RDJZCZTQSA-N 1 1 416.400 1.631 20 5 HDBDMO C[C@H](C(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc21)[NH+]1CCSCC1 ZINC000537729501 1075745371 /nfs/dbraw/zinc/74/53/71/1075745371.db2.gz HAZFXHODRUXMTI-CYBMUJFWSA-N 1 1 404.496 1.894 20 5 HDBDMO CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2)CC1 ZINC000732781500 1075864998 /nfs/dbraw/zinc/86/49/98/1075864998.db2.gz RJMZGXMTMWRVLJ-MRXNPFEDSA-N 1 1 417.510 1.330 20 5 HDBDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2)CC1 ZINC000732781500 1075865004 /nfs/dbraw/zinc/86/50/04/1075865004.db2.gz RJMZGXMTMWRVLJ-MRXNPFEDSA-N 1 1 417.510 1.330 20 5 HDBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000611244216 1075885650 /nfs/dbraw/zinc/88/56/50/1075885650.db2.gz JUJQOHHGAFNKJL-QZTJIDSGSA-N 1 1 401.467 1.114 20 5 HDBDMO Cc1c(NC(=O)[C@@H](C)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000611244210 1075885754 /nfs/dbraw/zinc/88/57/54/1075885754.db2.gz JLSUPJCQBODOEY-KDOFPFPSSA-N 1 1 403.483 1.644 20 5 HDBDMO CN1CCN(C(=O)CC2CC[NH+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CC2)CC1 ZINC000611269480 1075889512 /nfs/dbraw/zinc/88/95/12/1075889512.db2.gz NXLCFDSKIVUPKN-UHFFFAOYSA-N 1 1 418.494 1.742 20 5 HDBDMO CN1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)C2)CC1 ZINC000611462364 1075936692 /nfs/dbraw/zinc/93/66/92/1075936692.db2.gz QWVJCSFTUHPWSW-INIZCTEOSA-N 1 1 417.510 1.330 20 5 HDBDMO CN1CCC([N@H+]2CC[C@H](NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)C2)CC1 ZINC000611462364 1075936694 /nfs/dbraw/zinc/93/66/94/1075936694.db2.gz QWVJCSFTUHPWSW-INIZCTEOSA-N 1 1 417.510 1.330 20 5 HDBDMO COc1cc(CNCC(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611519383 1075953533 /nfs/dbraw/zinc/95/35/33/1075953533.db2.gz LGRBRKTVWMLZFU-UHFFFAOYSA-N 1 1 402.398 1.111 20 5 HDBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000730644982 1076623122 /nfs/dbraw/zinc/62/31/22/1076623122.db2.gz RALURMOMKVTACV-ZDUSSCGKSA-N 1 1 413.858 1.878 20 5 HDBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000730683212 1076633209 /nfs/dbraw/zinc/63/32/09/1076633209.db2.gz BSDRKTWIRNMYQA-OAHLLOKOSA-N 1 1 423.901 1.815 20 5 HDBDMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001164706033 719851378 /nfs/dbraw/zinc/85/13/78/719851378.db2.gz WIZPLYYYPGTDRK-FOIQADDNSA-N 1 1 415.450 1.771 20 5 HDBDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])CCC2 ZINC001164812624 720217322 /nfs/dbraw/zinc/21/73/22/720217322.db2.gz HPEVIBCCHPETDI-UHFFFAOYSA-N 1 1 417.426 1.705 20 5 HDBDMO CCOc1nc(N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)ccc1[N+](=O)[O-] ZINC001164722843 720269144 /nfs/dbraw/zinc/26/91/44/720269144.db2.gz SNBZVJKLIKNURS-LJQANCHMSA-N 1 1 407.471 1.053 20 5 HDBDMO CCOc1nc(N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)ccc1[N+](=O)[O-] ZINC001164722843 720269148 /nfs/dbraw/zinc/26/91/48/720269148.db2.gz SNBZVJKLIKNURS-LJQANCHMSA-N 1 1 407.471 1.053 20 5 HDBDMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc([N+](=O)[O-])c(OC(C)C)n3)C2)C1 ZINC001164723737 720294545 /nfs/dbraw/zinc/29/45/45/720294545.db2.gz XRPFRNQOJXQLIT-FQEVSTJZSA-N 1 1 421.498 1.442 20 5 HDBDMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc([N+](=O)[O-])c(OC(C)C)n3)C2)C1 ZINC001164723737 720294551 /nfs/dbraw/zinc/29/45/51/720294551.db2.gz XRPFRNQOJXQLIT-FQEVSTJZSA-N 1 1 421.498 1.442 20 5 HDBDMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nccc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC001164721495 720308641 /nfs/dbraw/zinc/30/86/41/720308641.db2.gz HBLLEOBHWRIKMZ-OAQYLSRUSA-N 1 1 413.478 1.808 20 5 HDBDMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nccc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC001164721495 720308645 /nfs/dbraw/zinc/30/86/45/720308645.db2.gz HBLLEOBHWRIKMZ-OAQYLSRUSA-N 1 1 413.478 1.808 20 5 HDBDMO CC(C)Oc1nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164737181 720775559 /nfs/dbraw/zinc/77/55/59/720775559.db2.gz AKQDJUMPLHRAPX-LSDHHAIUSA-N 1 1 400.439 1.909 20 5 HDBDMO COc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ccc1[N+](=O)[O-] ZINC001164738775 720817393 /nfs/dbraw/zinc/81/73/93/720817393.db2.gz GLGUWVMPVFBYEY-GVDBMIGSSA-N 1 1 413.482 1.969 20 5 HDBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164766634 721082834 /nfs/dbraw/zinc/08/28/34/721082834.db2.gz LBKMLLVXHUQMOI-GJZGRUSLSA-N 1 1 400.439 1.468 20 5 HDBDMO COC(=O)c1cnc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164761683 721103600 /nfs/dbraw/zinc/10/36/00/721103600.db2.gz AFXXGKSZCIGSBI-GOEBONIOSA-N 1 1 400.439 1.468 20 5 HDBDMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)ncc3[N+](=O)[O-])CC2)C1 ZINC001164872406 721262819 /nfs/dbraw/zinc/26/28/19/721262819.db2.gz DLJZVWAEEGKZSV-UHFFFAOYSA-N 1 1 412.878 1.045 20 5 HDBDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncc([N+](=O)[O-])cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164886781 721397054 /nfs/dbraw/zinc/39/70/54/721397054.db2.gz GGUJVCQGTJIZCB-APWZRJJASA-N 1 1 420.470 1.663 20 5 HDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)n1 ZINC001164781259 721436882 /nfs/dbraw/zinc/43/68/82/721436882.db2.gz CUDBQXPYSDOYPC-STQMWFEESA-N 1 1 403.468 1.676 20 5 HDBDMO COc1ncnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1[N+](=O)[O-] ZINC001164804677 721553892 /nfs/dbraw/zinc/55/38/92/721553892.db2.gz LXUVLFZHQZRPHP-VYDXJSESSA-N 1 1 400.439 1.657 20 5 HDBDMO COc1ncnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1[N+](=O)[O-] ZINC001164804677 721553896 /nfs/dbraw/zinc/55/38/96/721553896.db2.gz LXUVLFZHQZRPHP-VYDXJSESSA-N 1 1 400.439 1.657 20 5 HDBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000303580185 1073754494 /nfs/dbraw/zinc/75/44/94/1073754494.db2.gz MKOVURQOQDLFRY-OAHLLOKOSA-N 1 1 401.471 1.179 20 5 HDBDMO CC(C)OC(=O)C[C@@H](NC(=O)[C@@H](C)N1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000543498854 1073853720 /nfs/dbraw/zinc/85/37/20/1073853720.db2.gz RVMYQVOSCXIKKT-NVXWUHKLSA-N 1 1 406.483 1.730 20 5 HDBDMO COC(=O)c1cc(C)nc(NCc2ccccc2C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000550338800 1074808008 /nfs/dbraw/zinc/80/80/08/1074808008.db2.gz FMUGUWYPRBBHSH-UHFFFAOYSA-N 1 1 400.435 2.529 20 5 HDBDMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000731619224 1075414980 /nfs/dbraw/zinc/41/49/80/1075414980.db2.gz SVLWIMYEWFSVJU-BFYDXBDKSA-N 1 1 405.451 1.886 20 5 HDBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000731619228 1075415122 /nfs/dbraw/zinc/41/51/22/1075415122.db2.gz SVLWIMYEWFSVJU-UXLLHSPISA-N 1 1 405.451 1.886 20 5 HDBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000731619228 1075415127 /nfs/dbraw/zinc/41/51/27/1075415127.db2.gz SVLWIMYEWFSVJU-UXLLHSPISA-N 1 1 405.451 1.886 20 5 HDBDMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)c3ccnc(N)c3[N+](=O)[O-])C2)cc(OC)c1 ZINC000577437296 1075696167 /nfs/dbraw/zinc/69/61/67/1075696167.db2.gz BELYDBWNBMSRRR-CYBMUJFWSA-N 1 1 401.423 1.594 20 5 HDBDMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)c3ccnc(N)c3[N+](=O)[O-])C2)cc(OC)c1 ZINC000577437296 1075696168 /nfs/dbraw/zinc/69/61/68/1075696168.db2.gz BELYDBWNBMSRRR-CYBMUJFWSA-N 1 1 401.423 1.594 20 5 HDBDMO CN(C(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000732560387 1075786112 /nfs/dbraw/zinc/78/61/12/1075786112.db2.gz YKAVSPJESZQHBL-KRWDZBQOSA-N 1 1 404.467 1.413 20 5 HDBDMO CN(C(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000732560387 1075786114 /nfs/dbraw/zinc/78/61/14/1075786114.db2.gz YKAVSPJESZQHBL-KRWDZBQOSA-N 1 1 404.467 1.413 20 5 HDBDMO CCN1CCN(c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2[N+](=O)[O-])C[C@H]1C ZINC000611084389 1075831863 /nfs/dbraw/zinc/83/18/63/1075831863.db2.gz JSRYLMPKIHFPPG-OAHLLOKOSA-N 1 1 413.544 1.355 20 5 HDBDMO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)C1=O ZINC000727170334 1076068700 /nfs/dbraw/zinc/06/87/00/1076068700.db2.gz UMGIFGVJDNNMCS-BFUOFWGJSA-N 1 1 403.439 1.297 20 5 HDBDMO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(C[N@H+]2CCC[C@H](CCC(N)=O)C2)C1=O ZINC000727170334 1076068708 /nfs/dbraw/zinc/06/87/08/1076068708.db2.gz UMGIFGVJDNNMCS-BFUOFWGJSA-N 1 1 403.439 1.297 20 5 HDBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000730788088 1076658483 /nfs/dbraw/zinc/65/84/83/1076658483.db2.gz RENNGACPHARBSA-SNVBAGLBSA-N 1 1 419.219 1.650 20 5 HDBDMO CC[NH+]1CCN(C(=O)CC2CCN(c3ccc([N+](=O)[O-])c4nonc43)CC2)CC1 ZINC000731211151 1076746852 /nfs/dbraw/zinc/74/68/52/1076746852.db2.gz QGRDHDBAOMBAOP-UHFFFAOYSA-N 1 1 402.455 1.902 20 5 HDBDMO COCCN1CC[N@H+](C)C2(CCN(c3ncc([N+](=O)[O-])c4ccccc43)CC2)C1=O ZINC001164632787 719273226 /nfs/dbraw/zinc/27/32/26/719273226.db2.gz CMIYJEMCBUWFMO-UHFFFAOYSA-N 1 1 413.478 1.902 20 5 HDBDMO COCCN1CC[N@@H+](C)C2(CCN(c3ncc([N+](=O)[O-])c4ccccc43)CC2)C1=O ZINC001164632787 719273229 /nfs/dbraw/zinc/27/32/29/719273229.db2.gz CMIYJEMCBUWFMO-UHFFFAOYSA-N 1 1 413.478 1.902 20 5 HDBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1)CC2 ZINC001164689395 719737350 /nfs/dbraw/zinc/73/73/50/719737350.db2.gz FDZIJNNZHMXEFG-BJMVGYQFSA-N 1 1 402.499 1.703 20 5 HDBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164740855 720629967 /nfs/dbraw/zinc/62/99/67/720629967.db2.gz JLIVKXROZZLLGJ-GHMZBOCLSA-N 1 1 423.886 1.892 20 5 HDBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743123 720837319 /nfs/dbraw/zinc/83/73/19/720837319.db2.gz ISMAUZCOSZWVSF-YQVWRLOYSA-N 1 1 413.482 1.508 20 5 HDBDMO COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164849749 720844802 /nfs/dbraw/zinc/84/48/02/720844802.db2.gz CTJQKYGNOITGLA-MNOVXSKESA-N 1 1 406.270 1.865 20 5 HDBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870084 721054596 /nfs/dbraw/zinc/05/45/96/721054596.db2.gz VQWXXTJZRLSZNF-IAGOWNOFSA-N 1 1 413.434 1.651 20 5 HDBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870087 721054938 /nfs/dbraw/zinc/05/49/38/721054938.db2.gz VQWXXTJZRLSZNF-IRXDYDNUSA-N 1 1 413.434 1.651 20 5 HDBDMO COC(=O)c1ccnc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164764341 721148418 /nfs/dbraw/zinc/14/84/18/721148418.db2.gz HSXULZYDVDBKLE-GJZGRUSLSA-N 1 1 400.439 1.468 20 5 HDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164764778 721239994 /nfs/dbraw/zinc/23/99/94/721239994.db2.gz QBBLNGDYFSWKLO-HOTGVXAUSA-N 1 1 414.470 1.343 20 5 HDBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc([N+](=O)[O-])cc[n+]3[O-])C2)C1 ZINC001164778399 721332974 /nfs/dbraw/zinc/33/29/74/721332974.db2.gz VCKDUWYLCJMTDL-HXUWFJFHSA-N 1 1 417.466 1.952 20 5 HDBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc([N+](=O)[O-])cc[n+]3[O-])C2)C1 ZINC001164778399 721332978 /nfs/dbraw/zinc/33/29/78/721332978.db2.gz VCKDUWYLCJMTDL-HXUWFJFHSA-N 1 1 417.466 1.952 20 5 HDBDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc([N+](=O)[O-])cc[n+]3[O-])C2)C1 ZINC001164778398 721333627 /nfs/dbraw/zinc/33/36/27/721333627.db2.gz VCKDUWYLCJMTDL-FQEVSTJZSA-N 1 1 417.466 1.952 20 5 HDBDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc([N+](=O)[O-])cc[n+]3[O-])C2)C1 ZINC001164778398 721333629 /nfs/dbraw/zinc/33/36/29/721333629.db2.gz VCKDUWYLCJMTDL-FQEVSTJZSA-N 1 1 417.466 1.952 20 5 HDBDMO COc1cc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)ncc1[N+](=O)[O-] ZINC001164884458 721403743 /nfs/dbraw/zinc/40/37/43/721403743.db2.gz DFBJQQIUZXSIRR-JXFKEZNVSA-N 1 1 405.499 1.764 20 5 HDBDMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000302133944 1073586017 /nfs/dbraw/zinc/58/60/17/1073586017.db2.gz CPTPGESHFDJWDB-HNNXBMFYSA-N 1 1 419.507 1.865 20 5 HDBDMO CC[NH+]1CCN(CCCCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000303528942 1073747856 /nfs/dbraw/zinc/74/78/56/1073747856.db2.gz GWMQZAQDYPNMEE-UHFFFAOYSA-N 1 1 400.483 1.928 20 5 HDBDMO COC(=O)c1cc(C)nc(NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000576967687 1074805848 /nfs/dbraw/zinc/80/58/48/1074805848.db2.gz SAAJXPFTBTZFTO-FQEVSTJZSA-N 1 1 400.435 2.134 20 5 HDBDMO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000731600233 1075406217 /nfs/dbraw/zinc/40/62/17/1075406217.db2.gz YIKRQIQPKICFFA-HNNXBMFYSA-N 1 1 407.423 1.118 20 5 HDBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 ZINC000731655259 1075439433 /nfs/dbraw/zinc/43/94/33/1075439433.db2.gz GIQLHWAKUPISBH-UHFFFAOYSA-N 1 1 417.510 1.868 20 5 HDBDMO CCOC(=O)C[NH+]1CCC(COC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000731919389 1075570890 /nfs/dbraw/zinc/57/08/90/1075570890.db2.gz QDECZLKNAFJJEZ-UHFFFAOYSA-N 1 1 417.422 1.607 20 5 HDBDMO O=C(C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000732201844 1075674728 /nfs/dbraw/zinc/67/47/28/1075674728.db2.gz PNNCWYDXERLXPB-DOTOQJQBSA-N 1 1 416.400 1.631 20 5 HDBDMO O=C(C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000732201844 1075674731 /nfs/dbraw/zinc/67/47/31/1075674731.db2.gz PNNCWYDXERLXPB-DOTOQJQBSA-N 1 1 416.400 1.631 20 5 HDBDMO O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000611464732 1075941776 /nfs/dbraw/zinc/94/17/76/1075941776.db2.gz VAIKUFZSYHPPIH-WMZOPIPTSA-N 1 1 404.467 1.103 20 5 HDBDMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000611514326 1075952887 /nfs/dbraw/zinc/95/28/87/1075952887.db2.gz QXGCOLUYKQFGTN-CYBMUJFWSA-N 1 1 414.409 1.333 20 5 HDBDMO Cc1c([N+](=O)[O-])cc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000728072914 1076332640 /nfs/dbraw/zinc/33/26/40/1076332640.db2.gz MJEAVADVOAYLGC-CQSZACIVSA-N 1 1 407.427 1.484 20 5 HDBDMO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001164706035 719851200 /nfs/dbraw/zinc/85/12/00/719851200.db2.gz WIZPLYYYPGTDRK-QRWLVFNGSA-N 1 1 415.450 1.771 20 5 HDBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nccc(C(=O)OC)c1[N+](=O)[O-])C2 ZINC001164807342 720127855 /nfs/dbraw/zinc/12/78/55/720127855.db2.gz BYXWZQBQHITMJY-YWZLYKJASA-N 1 1 404.467 1.961 20 5 HDBDMO COc1nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)ccc1[N+](=O)[O-] ZINC001164813397 720215914 /nfs/dbraw/zinc/21/59/14/720215914.db2.gz PDWSAPJPIOASIM-UHFFFAOYSA-N 1 1 402.455 1.806 20 5 HDBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001164814542 720229519 /nfs/dbraw/zinc/22/95/19/720229519.db2.gz XQTFEJPQAPAOSA-UHFFFAOYSA-N 1 1 402.455 1.344 20 5 HDBDMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC001164720453 720242604 /nfs/dbraw/zinc/24/26/04/720242604.db2.gz WEULVWZYRMHFTB-HXUWFJFHSA-N 1 1 414.466 1.203 20 5 HDBDMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC001164720453 720242609 /nfs/dbraw/zinc/24/26/09/720242609.db2.gz WEULVWZYRMHFTB-HXUWFJFHSA-N 1 1 414.466 1.203 20 5 HDBDMO CN(C)/C=C/c1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164738564 720756288 /nfs/dbraw/zinc/75/62/88/720756288.db2.gz GBFBKBIGVPDGSK-MULDZMIYSA-N 1 1 411.466 1.654 20 5 HDBDMO COc1ncnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1[N+](=O)[O-] ZINC001164740319 720828323 /nfs/dbraw/zinc/82/83/23/720828323.db2.gz KEVGODSIBMEPLF-BZUAXINKSA-N 1 1 414.470 1.364 20 5 HDBDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164849747 720844885 /nfs/dbraw/zinc/84/48/85/720844885.db2.gz CTJQKYGNOITGLA-GHMZBOCLSA-N 1 1 406.270 1.865 20 5 HDBDMO COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)nc(SC)c3[N+](=O)[O-])CC[C@@H]2C1 ZINC001164856026 720859569 /nfs/dbraw/zinc/85/95/69/720859569.db2.gz NRDHJEWJPIHQQH-NEPJUHHUSA-N 1 1 417.919 1.934 20 5 HDBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870081 721054303 /nfs/dbraw/zinc/05/43/03/721054303.db2.gz VQWXXTJZRLSZNF-DLBZAZTESA-N 1 1 413.434 1.651 20 5 HDBDMO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164865114 721110267 /nfs/dbraw/zinc/11/02/67/721110267.db2.gz IMAFCRXEVVHKMX-CVEARBPZSA-N 1 1 405.842 1.756 20 5 HDBDMO COc1nc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)ncc1[N+](=O)[O-] ZINC001164889350 721379794 /nfs/dbraw/zinc/37/97/94/721379794.db2.gz LTBSANMYHVYFKA-BEFAXECRSA-N 1 1 406.487 1.159 20 5 HDBDMO COc1cnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c([N+](=O)[O-])c1 ZINC001164889481 721406689 /nfs/dbraw/zinc/40/66/89/721406689.db2.gz QZLCEUCHDFAPFP-OXJNMPFZSA-N 1 1 405.499 1.764 20 5 HDBDMO COc1ncnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-] ZINC001164975773 722118300 /nfs/dbraw/zinc/11/83/00/722118300.db2.gz KYLONBXQXMZWEG-JKSUJKDBSA-N 1 1 400.439 1.516 20 5 HDBDMO C[C@H](CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)[NH+]1CCN(c2ccccc2)CC1 ZINC000302058226 1073582125 /nfs/dbraw/zinc/58/21/25/1073582125.db2.gz AUZNDGOYMNJFQB-OAHLLOKOSA-N 1 1 419.507 1.865 20 5 HDBDMO CN1CCN(C(=O)CC2CC[NH+](Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)CC1 ZINC000731356128 1075318385 /nfs/dbraw/zinc/31/83/85/1075318385.db2.gz PIOFKRLECQWYMI-UHFFFAOYSA-N 1 1 400.483 1.778 20 5 HDBDMO C[NH+]1CCN(C(=O)CC2CCN(Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)CC1 ZINC000731356128 1075318390 /nfs/dbraw/zinc/31/83/90/1075318390.db2.gz PIOFKRLECQWYMI-UHFFFAOYSA-N 1 1 400.483 1.778 20 5 HDBDMO C[N@@H+](CCNC(=O)C1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1)Cc1ccccc1 ZINC000462912376 1075663043 /nfs/dbraw/zinc/66/30/43/1075663043.db2.gz MDDLBNPEYAVZKN-UHFFFAOYSA-N 1 1 413.482 1.432 20 5 HDBDMO O=C(C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000732201847 1075674666 /nfs/dbraw/zinc/67/46/66/1075674666.db2.gz PNNCWYDXERLXPB-WBVHZDCISA-N 1 1 416.400 1.631 20 5 HDBDMO O=C(C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000732201847 1075674667 /nfs/dbraw/zinc/67/46/67/1075674667.db2.gz PNNCWYDXERLXPB-WBVHZDCISA-N 1 1 416.400 1.631 20 5 HDBDMO COCCN(C(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000429266711 1075745877 /nfs/dbraw/zinc/74/58/77/1075745877.db2.gz VJPVVBZSTDZOHX-AWEZNQCLSA-N 1 1 413.496 1.082 20 5 HDBDMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000611209935 1075874591 /nfs/dbraw/zinc/87/45/91/1075874591.db2.gz OWIAHCJGPUUUQU-GOSISDBHSA-N 1 1 417.510 1.675 20 5 HDBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000611202594 1075877418 /nfs/dbraw/zinc/87/74/18/1075877418.db2.gz YVGITAPLTYUIJA-SFHVURJKSA-N 1 1 412.450 1.335 20 5 HDBDMO Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C(C)(C)CO)CC2)ccc1[N+](=O)[O-] ZINC000611218391 1075878572 /nfs/dbraw/zinc/87/85/72/1075878572.db2.gz DPRQPRSLLKXCGY-GOSISDBHSA-N 1 1 418.494 1.423 20 5 HDBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611244283 1075884752 /nfs/dbraw/zinc/88/47/52/1075884752.db2.gz OGMPNBQPKJSFGI-INIZCTEOSA-N 1 1 417.466 1.307 20 5 HDBDMO NC(=O)[C@@H]1CCCN1C1CC[NH+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611244283 1075884755 /nfs/dbraw/zinc/88/47/55/1075884755.db2.gz OGMPNBQPKJSFGI-INIZCTEOSA-N 1 1 417.466 1.307 20 5 HDBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(c3nc(N4CCCC4)cc[nH+]3)CC2)c1 ZINC000733184666 1076011924 /nfs/dbraw/zinc/01/19/24/1076011924.db2.gz NGPQNUMHNXDSER-UHFFFAOYSA-N 1 1 418.479 1.496 20 5 HDBDMO Cc1c(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000728072930 1076332940 /nfs/dbraw/zinc/33/29/40/1076332940.db2.gz MZARTVLZJAVBMZ-OAHLLOKOSA-N 1 1 421.454 1.792 20 5 HDBDMO CCOC(=O)C(C(=O)OCC)c1nc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001164637941 719258446 /nfs/dbraw/zinc/25/84/46/719258446.db2.gz XGQGFBHBPXXOCJ-STQMWFEESA-N 1 1 408.455 1.728 20 5 HDBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(Cl)nc(SC)c1[N+](=O)[O-])CC2 ZINC001164686758 719723899 /nfs/dbraw/zinc/72/38/99/719723899.db2.gz RDJMLVNLYRKIAI-UHFFFAOYSA-N 1 1 414.919 1.941 20 5 HDBDMO O=[N+]([O-])c1c(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)ncnc1N1CC[NH2+]CC1 ZINC001164730337 720348055 /nfs/dbraw/zinc/34/80/55/720348055.db2.gz ZCDKVRLKRNHNFD-IRXDYDNUSA-N 1 1 410.482 1.043 20 5 HDBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164746822 720729637 /nfs/dbraw/zinc/72/96/37/720729637.db2.gz YSJLZTDEZONOBJ-CABCVRRESA-N 1 1 414.422 1.298 20 5 HDBDMO COc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ccc1[N+](=O)[O-] ZINC001164738776 720817473 /nfs/dbraw/zinc/81/74/73/720817473.db2.gz GLGUWVMPVFBYEY-IXDOHACOSA-N 1 1 413.482 1.969 20 5 HDBDMO COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)nc(Cl)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164849751 720845117 /nfs/dbraw/zinc/84/51/17/720845117.db2.gz CTJQKYGNOITGLA-QWRGUYRKSA-N 1 1 406.270 1.865 20 5 HDBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2C[N@@H+](CCOC)CCO[C@H]2C1 ZINC001164852121 720864993 /nfs/dbraw/zinc/86/49/93/720864993.db2.gz CCFJRWMMHAQBPJ-PBHICJAKSA-N 1 1 408.455 1.340 20 5 HDBDMO COC(=O)c1cnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164866051 721070551 /nfs/dbraw/zinc/07/05/51/721070551.db2.gz CCTMLKSTYFYTBV-IRXDYDNUSA-N 1 1 413.434 1.651 20 5 HDBDMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)C1 ZINC001164876708 721262550 /nfs/dbraw/zinc/26/25/50/721262550.db2.gz OTEMFOIIYHOOOY-UHFFFAOYSA-N 1 1 411.890 1.650 20 5 HDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164781253 721436884 /nfs/dbraw/zinc/43/68/84/721436884.db2.gz CUDBQXPYSDOYPC-BETUJISGSA-N 1 1 403.468 1.676 20 5 HDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164781253 721436887 /nfs/dbraw/zinc/43/68/87/721436887.db2.gz CUDBQXPYSDOYPC-BETUJISGSA-N 1 1 403.468 1.676 20 5 HDBDMO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164977335 722118601 /nfs/dbraw/zinc/11/86/01/722118601.db2.gz MOTGCZWFZAVNPQ-DLBZAZTESA-N 1 1 414.466 1.824 20 5 HDBDMO C[NH+]1CCN(c2ncnc3c2CCN(c2cnc4cc([N+](=O)[O-])ccc4n2)CC3)CC1 ZINC001164997729 722230537 /nfs/dbraw/zinc/23/05/37/722230537.db2.gz USJJHSHLZGZSJW-UHFFFAOYSA-N 1 1 420.477 1.685 20 5 HDBDMO COc1cc(C)nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c1[N+](=O)[O-] ZINC001164997539 722232785 /nfs/dbraw/zinc/23/27/85/722232785.db2.gz PAARACSAQKOTJY-UHFFFAOYSA-N 1 1 413.482 1.454 20 5 HDBDMO CC(=O)N1CCC([N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)Cc2cncs2)CC1 ZINC000429118465 1073683080 /nfs/dbraw/zinc/68/30/80/1073683080.db2.gz XFQGHBSKRSICBT-UHFFFAOYSA-N 1 1 405.480 1.726 20 5 HDBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)CC1 ZINC000303590103 1073756283 /nfs/dbraw/zinc/75/62/83/1073756283.db2.gz OOPIOMJPVVWFDY-HNNXBMFYSA-N 1 1 415.498 1.487 20 5 HDBDMO C[C@H](O)C[N@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000502000123 1073799869 /nfs/dbraw/zinc/79/98/69/1073799869.db2.gz BWPPYPSAGAIEGT-RYUDHWBXSA-N 1 1 415.288 1.683 20 5 HDBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1 ZINC000502363648 1073824392 /nfs/dbraw/zinc/82/43/92/1073824392.db2.gz XHFIFYMRGRHIHX-GOSISDBHSA-N 1 1 413.496 1.490 20 5 HDBDMO COc1ccc(C(=O)NCC(=O)NCCCNc2ccc(C)c[nH+]2)cc1[N+](=O)[O-] ZINC000543882581 1075358819 /nfs/dbraw/zinc/35/88/19/1075358819.db2.gz RPYJBTJDZDSBRB-UHFFFAOYSA-N 1 1 401.423 1.655 20 5 HDBDMO Cc1c(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000731655284 1075438599 /nfs/dbraw/zinc/43/85/99/1075438599.db2.gz INUNARGZDMQSLR-UHFFFAOYSA-N 1 1 407.427 1.402 20 5 HDBDMO CN(C(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000732560388 1075785885 /nfs/dbraw/zinc/78/58/85/1075785885.db2.gz YKAVSPJESZQHBL-QGZVFWFLSA-N 1 1 404.467 1.413 20 5 HDBDMO CN(C(=O)COc1ccc(C=O)cc1[N+](=O)[O-])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000732560388 1075785891 /nfs/dbraw/zinc/78/58/91/1075785891.db2.gz YKAVSPJESZQHBL-QGZVFWFLSA-N 1 1 404.467 1.413 20 5 HDBDMO CC(=O)N1CCN(c2ccc(C(=O)N3[C@@H](C)C[NH+](C)C[C@@H]3C)cc2[N+](=O)[O-])CC1 ZINC000611124382 1075850944 /nfs/dbraw/zinc/85/09/44/1075850944.db2.gz SWARHRUKJMGDAJ-GJZGRUSLSA-N 1 1 403.483 1.428 20 5 HDBDMO CNc1nccc(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)c1[N+](=O)[O-] ZINC000553417406 1075855488 /nfs/dbraw/zinc/85/54/88/1075855488.db2.gz OMTCIEVMXMNZQJ-CQSZACIVSA-N 1 1 412.450 1.981 20 5 HDBDMO O=C(C[N@H+](CCO)CCc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000732983771 1075937166 /nfs/dbraw/zinc/93/71/66/1075937166.db2.gz FFRFTLBQHFUBOG-UHFFFAOYSA-N 1 1 412.490 1.780 20 5 HDBDMO O=C(C[N@@H+](CCO)CCc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000732983771 1075937167 /nfs/dbraw/zinc/93/71/67/1075937167.db2.gz FFRFTLBQHFUBOG-UHFFFAOYSA-N 1 1 412.490 1.780 20 5 HDBDMO O=[N+]([O-])c1ccc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000727827247 1076262490 /nfs/dbraw/zinc/26/24/90/1076262490.db2.gz ZVHMCWPMPRDIAY-AWEZNQCLSA-N 1 1 421.479 1.723 20 5 HDBDMO Cc1cc(C(=O)OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000727900802 1076278915 /nfs/dbraw/zinc/27/89/15/1076278915.db2.gz OQTCHZCENKDVED-UHFFFAOYSA-N 1 1 412.446 1.987 20 5 HDBDMO O=C1OCCN1c1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000766206975 1076307833 /nfs/dbraw/zinc/30/78/33/1076307833.db2.gz KKHIXQQEJYVTLK-AWEZNQCLSA-N 1 1 424.479 1.847 20 5 HDBDMO O=C1OCCN1c1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000766206975 1076307837 /nfs/dbraw/zinc/30/78/37/1076307837.db2.gz KKHIXQQEJYVTLK-AWEZNQCLSA-N 1 1 424.479 1.847 20 5 HDBDMO COCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000730788087 1076658395 /nfs/dbraw/zinc/65/83/95/1076658395.db2.gz RENNGACPHARBSA-JTQLQIEISA-N 1 1 419.219 1.650 20 5 HDBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1ncnc3cc(OC)c([N+](=O)[O-])cc31)CC2 ZINC001164684637 719721865 /nfs/dbraw/zinc/72/18/65/719721865.db2.gz IYGRQRYUIHKCGP-UHFFFAOYSA-N 1 1 414.466 1.727 20 5 HDBDMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc4cccc([N+](=O)[O-])c4n3)C2)C1 ZINC001164718299 720243406 /nfs/dbraw/zinc/24/34/06/720243406.db2.gz DHMPYIRVUSHJLM-NRFANRHFSA-N 1 1 413.478 1.808 20 5 HDBDMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc4cccc([N+](=O)[O-])c4n3)C2)C1 ZINC001164718299 720243409 /nfs/dbraw/zinc/24/34/09/720243409.db2.gz DHMPYIRVUSHJLM-NRFANRHFSA-N 1 1 413.478 1.808 20 5 HDBDMO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164738304 720659799 /nfs/dbraw/zinc/65/97/99/720659799.db2.gz IUTPAJBEFBDSCZ-UWVGGRQHSA-N 1 1 412.237 1.824 20 5 HDBDMO CN(C)/C=C\c1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164738569 720756497 /nfs/dbraw/zinc/75/64/97/720756497.db2.gz GBFBKBIGVPDGSK-OPCNFVSTSA-N 1 1 411.466 1.654 20 5 HDBDMO COc1ncnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1[N+](=O)[O-] ZINC001164740316 720828605 /nfs/dbraw/zinc/82/86/05/720828605.db2.gz KEVGODSIBMEPLF-ARFHVFGLSA-N 1 1 414.470 1.364 20 5 HDBDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(SC)nc(Cl)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164852875 720837961 /nfs/dbraw/zinc/83/79/61/720837961.db2.gz MEDSXGFQITZEHB-NWDGAFQWSA-N 1 1 417.919 1.934 20 5 HDBDMO COc1nc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164766357 721129975 /nfs/dbraw/zinc/12/99/75/721129975.db2.gz KRNJMJPASOULDV-KGLIPLIRSA-N 1 1 403.443 1.094 20 5 HDBDMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(Cl)ncc3[N+](=O)[O-])CC2)C1 ZINC001164868839 721264981 /nfs/dbraw/zinc/26/49/81/721264981.db2.gz FNETUHBSGKQGLZ-UHFFFAOYSA-N 1 1 411.890 1.650 20 5 HDBDMO COc1nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164902977 721532677 /nfs/dbraw/zinc/53/26/77/721532677.db2.gz BNRPBTTUDHFSGN-UKRRQHHQSA-N 1 1 419.413 1.883 20 5 HDBDMO C[NH+]1CCN(c2ncnc3c2CCN(c2ncnc4ccc([N+](=O)[O-])cc42)CC3)CC1 ZINC001164997656 722232566 /nfs/dbraw/zinc/23/25/66/722232566.db2.gz UBSGXTIIPVVFBM-UHFFFAOYSA-N 1 1 420.477 1.685 20 5 HDBDMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001128636058 1074199119 /nfs/dbraw/zinc/19/91/19/1074199119.db2.gz FSFCKYABMSTDOD-MRXNPFEDSA-N 1 1 407.434 1.822 20 5 HDBDMO O=c1[nH]c(NCCCN2CCN(c3cc[nH+]cc3)CC2)nc2ccc([N+](=O)[O-])cc21 ZINC000580458939 1075291801 /nfs/dbraw/zinc/29/18/01/1075291801.db2.gz QXLISLZYHVISSG-UHFFFAOYSA-N 1 1 409.450 2.263 20 5 HDBDMO O=C([C@@H]1CCC[N@@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1)N1CCCC1 ZINC000732189198 1075654977 /nfs/dbraw/zinc/65/49/77/1075654977.db2.gz BOLROPWVPRAKKE-OAHLLOKOSA-N 1 1 415.450 1.655 20 5 HDBDMO O=C([C@@H]1CCC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1)N1CCCC1 ZINC000732189198 1075654981 /nfs/dbraw/zinc/65/49/81/1075654981.db2.gz BOLROPWVPRAKKE-OAHLLOKOSA-N 1 1 415.450 1.655 20 5 HDBDMO Cn1cnnc1Sc1ccc(C(=O)N2CC[NH+](C(C)(C)CO)CC2)cc1[N+](=O)[O-] ZINC000611165888 1075865667 /nfs/dbraw/zinc/86/56/67/1075865667.db2.gz GEKLNJZNKMEWRM-UHFFFAOYSA-N 1 1 420.495 1.403 20 5 HDBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000611206591 1075873850 /nfs/dbraw/zinc/87/38/50/1075873850.db2.gz OAHIESCNBIMXBH-HNNXBMFYSA-N 1 1 408.524 1.843 20 5 HDBDMO CN(C)CCN(CC[NH+](C)C)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000732815293 1075876395 /nfs/dbraw/zinc/87/63/95/1075876395.db2.gz JKCQYOWPHIRGTG-UHFFFAOYSA-N 1 1 423.333 1.471 20 5 HDBDMO C[C@@H](NC(=O)c1cc(I)cc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000611223418 1075880074 /nfs/dbraw/zinc/88/00/74/1075880074.db2.gz QYLJDIXNUNMOJF-NOZJJQNGSA-N 1 1 419.219 1.648 20 5 HDBDMO C[C@@H](NC(=O)c1cc(I)cc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000611223418 1075880078 /nfs/dbraw/zinc/88/00/78/1075880078.db2.gz QYLJDIXNUNMOJF-NOZJJQNGSA-N 1 1 419.219 1.648 20 5 HDBDMO COc1ccc(NC(=O)[C@H](C)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000611244242 1075885845 /nfs/dbraw/zinc/88/58/45/1075885845.db2.gz MOCPVLOMGJHDNU-SUMWQHHRSA-N 1 1 419.482 1.345 20 5 HDBDMO CC(C)c1[nH+]ccn1CCNC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000732962978 1075932523 /nfs/dbraw/zinc/93/25/23/1075932523.db2.gz HDZVDWKHZAFONV-UHFFFAOYSA-N 1 1 409.468 1.400 20 5 HDBDMO CS(=O)(=O)c1cc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc([N+](=O)[O-])c1 ZINC000733158328 1075991782 /nfs/dbraw/zinc/99/17/82/1075991782.db2.gz HIFZXLNFZNTTEZ-INIZCTEOSA-N 1 1 411.480 1.372 20 5 HDBDMO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000733164376 1075997420 /nfs/dbraw/zinc/99/74/20/1075997420.db2.gz QVDGAHLXJYELLI-UHFFFAOYSA-N 1 1 422.482 1.279 20 5 HDBDMO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000733164376 1075997422 /nfs/dbraw/zinc/99/74/22/1075997422.db2.gz QVDGAHLXJYELLI-UHFFFAOYSA-N 1 1 422.482 1.279 20 5 HDBDMO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000730569251 1076604115 /nfs/dbraw/zinc/60/41/15/1076604115.db2.gz LCGGDQUXZYENRJ-AWEZNQCLSA-N 1 1 421.454 1.896 20 5 HDBDMO COc1nc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)nc(OC)c1[N+](=O)[O-] ZINC001164649715 719310901 /nfs/dbraw/zinc/31/09/01/719310901.db2.gz RITFOWNFJSIBLV-UHFFFAOYSA-N 1 1 405.459 1.804 20 5 HDBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc(C(=O)OC)cc1[N+](=O)[O-])C2 ZINC001164813069 720095468 /nfs/dbraw/zinc/09/54/68/720095468.db2.gz SCBQZAWCZMLKLB-JXFKEZNVSA-N 1 1 404.467 1.961 20 5 HDBDMO CCOC(=O)c1ccnc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164752766 720799253 /nfs/dbraw/zinc/79/92/53/720799253.db2.gz ZSQJSJCTZZAKIF-KGLIPLIRSA-N 1 1 414.422 1.298 20 5 HDBDMO CCOC(=O)c1ccnc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164752765 720799753 /nfs/dbraw/zinc/79/97/53/720799753.db2.gz ZSQJSJCTZZAKIF-KBPBESRZSA-N 1 1 414.422 1.298 20 5 HDBDMO CCOC(=O)c1ccnc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164752773 720800122 /nfs/dbraw/zinc/80/01/22/720800122.db2.gz ZSQJSJCTZZAKIF-ZIAGYGMSSA-N 1 1 414.422 1.298 20 5 HDBDMO COc1nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164863561 721085822 /nfs/dbraw/zinc/08/58/22/721085822.db2.gz CWSPKQJNFJUESA-GJZGRUSLSA-N 1 1 416.438 1.277 20 5 HDBDMO COc1nc(C)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164866188 721089459 /nfs/dbraw/zinc/08/94/59/721089459.db2.gz RRZIIGISIVXYRY-HZPDHXFCSA-N 1 1 400.439 1.577 20 5 HDBDMO COc1nc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)ccc1[N+](=O)[O-] ZINC001164868611 721266745 /nfs/dbraw/zinc/26/67/45/721266745.db2.gz FCVCPBIXPKNXTL-UHFFFAOYSA-N 1 1 407.471 1.005 20 5 HDBDMO COc1ncnc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1[N+](=O)[O-] ZINC001164886547 721411392 /nfs/dbraw/zinc/41/13/92/721411392.db2.gz JVPUWKPAZOGSNO-BEFAXECRSA-N 1 1 406.487 1.159 20 5 HDBDMO COc1ncnc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1[N+](=O)[O-] ZINC001164886554 721411423 /nfs/dbraw/zinc/41/14/23/721411423.db2.gz JVPUWKPAZOGSNO-KXBFYZLASA-N 1 1 406.487 1.159 20 5 HDBDMO COc1ncnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1[N+](=O)[O-] ZINC001164804679 721554160 /nfs/dbraw/zinc/55/41/60/721554160.db2.gz LXUVLFZHQZRPHP-ZOBUZTSGSA-N 1 1 400.439 1.657 20 5 HDBDMO COc1ncnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1[N+](=O)[O-] ZINC001164804679 721554164 /nfs/dbraw/zinc/55/41/64/721554164.db2.gz LXUVLFZHQZRPHP-ZOBUZTSGSA-N 1 1 400.439 1.657 20 5 HDBDMO COc1ncnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1[N+](=O)[O-] ZINC001164962466 722056101 /nfs/dbraw/zinc/05/61/01/722056101.db2.gz DUFHUJMGLMDVIZ-UHFFFAOYSA-N 1 1 414.466 1.907 20 5 HDBDMO C[C@@H](CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)[NH+]1CCN(c2ccccc2)CC1 ZINC000302058224 1073581997 /nfs/dbraw/zinc/58/19/97/1073581997.db2.gz AUZNDGOYMNJFQB-HNNXBMFYSA-N 1 1 419.507 1.865 20 5 HDBDMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000731457467 1075364705 /nfs/dbraw/zinc/36/47/05/1075364705.db2.gz PDEJZBFOTXFEOM-UHFFFAOYSA-N 1 1 404.390 1.995 20 5 HDBDMO C[N@H+](CC(=O)NC(c1ccccc1)c1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000429401644 1075415333 /nfs/dbraw/zinc/41/53/33/1075415333.db2.gz MKIYNQWFVVLOIP-HXUWFJFHSA-N 1 1 423.473 1.990 20 5 HDBDMO Cc1nc(N[C@@H]2CCn3ccnc3C2)nc(N[C@H]2CCn3cc[nH+]c3C2)c1[N+](=O)[O-] ZINC000489946732 1075524858 /nfs/dbraw/zinc/52/48/58/1075524858.db2.gz MXOMMVOFCSKHKJ-UONOGXRCSA-N 1 1 409.454 1.940 20 5 HDBDMO Cc1nc(N[C@@H]2CCn3cc[nH+]c3C2)nc(N[C@H]2CCn3ccnc3C2)c1[N+](=O)[O-] ZINC000489946732 1075524865 /nfs/dbraw/zinc/52/48/65/1075524865.db2.gz MXOMMVOFCSKHKJ-UONOGXRCSA-N 1 1 409.454 1.940 20 5 HDBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000732065277 1075600377 /nfs/dbraw/zinc/60/03/77/1075600377.db2.gz YIODGECCTPVEIH-MJBXVCDLSA-N 1 1 408.480 1.240 20 5 HDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN(c2nc(N)ns2)CC1 ZINC000469024277 1075629665 /nfs/dbraw/zinc/62/96/65/1075629665.db2.gz RXBJYMXSKOUDKQ-UHFFFAOYSA-N 1 1 407.456 1.188 20 5 HDBDMO CC[N@H+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C[C@@H]1C ZINC000611088230 1075827916 /nfs/dbraw/zinc/82/79/16/1075827916.db2.gz KHTDAVYFXPUCGX-JKSUJKDBSA-N 1 1 424.523 1.548 20 5 HDBDMO CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611254064 1075884280 /nfs/dbraw/zinc/88/42/80/1075884280.db2.gz MEKCZDNFLYYUME-UHFFFAOYSA-N 1 1 406.483 1.742 20 5 HDBDMO CCN(CC)C(=O)C[N@H+]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611254064 1075884283 /nfs/dbraw/zinc/88/42/83/1075884283.db2.gz MEKCZDNFLYYUME-UHFFFAOYSA-N 1 1 406.483 1.742 20 5 HDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000611244302 1075884582 /nfs/dbraw/zinc/88/45/82/1075884582.db2.gz QRYKXCXLNLGHIX-KRWDZBQOSA-N 1 1 419.482 1.346 20 5 HDBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000611244302 1075884587 /nfs/dbraw/zinc/88/45/87/1075884587.db2.gz QRYKXCXLNLGHIX-KRWDZBQOSA-N 1 1 419.482 1.346 20 5 HDBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611244284 1075884718 /nfs/dbraw/zinc/88/47/18/1075884718.db2.gz OGMPNBQPKJSFGI-MRXNPFEDSA-N 1 1 417.466 1.307 20 5 HDBDMO NC(=O)[C@H]1CCCN1C1CC[NH+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611244284 1075884725 /nfs/dbraw/zinc/88/47/25/1075884725.db2.gz OGMPNBQPKJSFGI-MRXNPFEDSA-N 1 1 417.466 1.307 20 5 HDBDMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000611514327 1075952823 /nfs/dbraw/zinc/95/28/23/1075952823.db2.gz QXGCOLUYKQFGTN-ZDUSSCGKSA-N 1 1 414.409 1.333 20 5 HDBDMO COc1cc(C(=O)N2CC[NH+](C(C)(C)CO)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000611516103 1075953272 /nfs/dbraw/zinc/95/32/72/1075953272.db2.gz SMSMZQMHPCBTPR-UHFFFAOYSA-N 1 1 403.382 1.734 20 5 HDBDMO C[NH+](C)CCN1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC000733882699 1076238098 /nfs/dbraw/zinc/23/80/98/1076238098.db2.gz VKYFXGFDDBQOPL-UHFFFAOYSA-N 1 1 419.526 1.435 20 5 HDBDMO Cc1c(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000728073360 1076333617 /nfs/dbraw/zinc/33/36/17/1076333617.db2.gz RRVKMZBHLRWIFC-HNNXBMFYSA-N 1 1 407.427 1.484 20 5 HDBDMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3ccc(N)c([N+](=O)[O-])c3)c2)C1 ZINC000731008592 1076709677 /nfs/dbraw/zinc/70/96/77/1076709677.db2.gz JUYBBALKSZUNDE-KRWDZBQOSA-N 1 1 411.462 1.804 20 5 HDBDMO CCOC(=O)C(C(=O)OCC)c1nc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001164637938 719258370 /nfs/dbraw/zinc/25/83/70/719258370.db2.gz XGQGFBHBPXXOCJ-OLZOCXBDSA-N 1 1 408.455 1.728 20 5 HDBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc([N+](=O)[O-])cc1C(=O)OC)C2 ZINC001164806991 720079401 /nfs/dbraw/zinc/07/94/01/720079401.db2.gz DVQSTRSOLCOSLQ-QRWLVFNGSA-N 1 1 404.467 1.961 20 5 HDBDMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC001164720452 720241153 /nfs/dbraw/zinc/24/11/53/720241153.db2.gz WEULVWZYRMHFTB-FQEVSTJZSA-N 1 1 414.466 1.203 20 5 HDBDMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC001164720452 720241166 /nfs/dbraw/zinc/24/11/66/720241166.db2.gz WEULVWZYRMHFTB-FQEVSTJZSA-N 1 1 414.466 1.203 20 5 HDBDMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC001164720194 720242485 /nfs/dbraw/zinc/24/24/85/720242485.db2.gz SFHWQHILXBCIJD-FQEVSTJZSA-N 1 1 414.466 1.203 20 5 HDBDMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC001164720194 720242496 /nfs/dbraw/zinc/24/24/96/720242496.db2.gz SFHWQHILXBCIJD-FQEVSTJZSA-N 1 1 414.466 1.203 20 5 HDBDMO CC(C)Oc1nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164737180 720774613 /nfs/dbraw/zinc/77/46/13/720774613.db2.gz AKQDJUMPLHRAPX-HUUCEWRRSA-N 1 1 400.439 1.909 20 5 HDBDMO COc1nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)ccc1[N+](=O)[O-] ZINC001164891549 721393338 /nfs/dbraw/zinc/39/33/38/721393338.db2.gz QKBTWOWWYGBHSC-JXFKEZNVSA-N 1 1 405.499 1.764 20 5 HDBDMO COc1nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164902877 721532667 /nfs/dbraw/zinc/53/26/67/721532667.db2.gz BNRPBTTUDHFSGN-DZGCQCFKSA-N 1 1 419.413 1.883 20 5 HDBDMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000029223585 1073781334 /nfs/dbraw/zinc/78/13/34/1073781334.db2.gz JBWKFKDJNVKFCQ-UHFFFAOYSA-N 1 1 414.466 1.501 20 5 HDBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3I)C[C@@H]21 ZINC001129074110 1075278667 /nfs/dbraw/zinc/27/86/67/1075278667.db2.gz NTTRUSWKULSPCM-RNCFNFMXSA-N 1 1 401.204 1.976 20 5 HDBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000732065275 1075599985 /nfs/dbraw/zinc/59/99/85/1075599985.db2.gz YIODGECCTPVEIH-MCIONIFRSA-N 1 1 408.480 1.240 20 5 HDBDMO CC(C)([NH2+]CC(=O)NCc1ccc(OCC(N)=O)cc1)c1ccccc1[N+](=O)[O-] ZINC000429267136 1075749342 /nfs/dbraw/zinc/74/93/42/1075749342.db2.gz ZSERYEGMSKGASO-UHFFFAOYSA-N 1 1 400.435 1.600 20 5 HDBDMO CC[N@H+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C[C@@H]1C ZINC000611088228 1075827544 /nfs/dbraw/zinc/82/75/44/1075827544.db2.gz KHTDAVYFXPUCGX-HOTGVXAUSA-N 1 1 424.523 1.548 20 5 HDBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1 ZINC000462497878 1075841942 /nfs/dbraw/zinc/84/19/42/1075841942.db2.gz DDRSSRASYSKOFE-KRWDZBQOSA-N 1 1 413.478 2.568 20 5 HDBDMO CC(=O)N1CCN(c2ccc(C(=O)N3[C@H](C)C[N@@H+](C)C[C@@H]3C)cc2[N+](=O)[O-])CC1 ZINC000611124381 1075850979 /nfs/dbraw/zinc/85/09/79/1075850979.db2.gz SWARHRUKJMGDAJ-GASCZTMLSA-N 1 1 403.483 1.428 20 5 HDBDMO CC(=O)N1CCN(c2ccc(C(=O)N3[C@H](C)C[N@H+](C)C[C@@H]3C)cc2[N+](=O)[O-])CC1 ZINC000611124381 1075850986 /nfs/dbraw/zinc/85/09/86/1075850986.db2.gz SWARHRUKJMGDAJ-GASCZTMLSA-N 1 1 403.483 1.428 20 5 HDBDMO Cc1ccc(NC(=O)C(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1[N+](=O)[O-] ZINC000611176384 1075869581 /nfs/dbraw/zinc/86/95/81/1075869581.db2.gz FYSWLIKSIWQIQE-UHFFFAOYSA-N 1 1 417.510 1.859 20 5 HDBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000611244215 1075885356 /nfs/dbraw/zinc/88/53/56/1075885356.db2.gz JUJQOHHGAFNKJL-MSOLQXFVSA-N 1 1 401.467 1.114 20 5 HDBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000611244218 1075885389 /nfs/dbraw/zinc/88/53/89/1075885389.db2.gz JUJQOHHGAFNKJL-ZWKOTPCHSA-N 1 1 401.467 1.114 20 5 HDBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc(C(=O)OC)cc1[N+](=O)[O-])C2 ZINC001164813070 720095515 /nfs/dbraw/zinc/09/55/15/720095515.db2.gz SCBQZAWCZMLKLB-OXJNMPFZSA-N 1 1 404.467 1.961 20 5 HDBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(C(=O)OC)ccc1[N+](=O)[O-])C2 ZINC001164814660 720201453 /nfs/dbraw/zinc/20/14/53/720201453.db2.gz VVSIOPQFJKQGJN-MGPUTAFESA-N 1 1 404.467 1.961 20 5 HDBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164766640 721082635 /nfs/dbraw/zinc/08/26/35/721082635.db2.gz LBKMLLVXHUQMOI-LSDHHAIUSA-N 1 1 400.439 1.468 20 5 HDBDMO COc1nc(C)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164866189 721088830 /nfs/dbraw/zinc/08/88/30/721088830.db2.gz RRZIIGISIVXYRY-JKSUJKDBSA-N 1 1 400.439 1.577 20 5 HDBDMO COc1nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)ccc1[N+](=O)[O-] ZINC001164891551 721393612 /nfs/dbraw/zinc/39/36/12/721393612.db2.gz QKBTWOWWYGBHSC-OXJNMPFZSA-N 1 1 405.499 1.764 20 5 HDBDMO C[NH+]1CCN(c2ncnc3c2CCN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CC3)CC1 ZINC001164997071 722231812 /nfs/dbraw/zinc/23/18/12/722231812.db2.gz OATCBWDZRHZPSN-UHFFFAOYSA-N 1 1 414.426 1.045 20 5 HDBDMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000021936182 1073511146 /nfs/dbraw/zinc/51/11/46/1073511146.db2.gz DXCVKTHUVMZCQN-UHFFFAOYSA-N 1 1 412.446 1.473 20 5 HDBDMO COC(=O)c1cc(C)nc(NCc2ccc(C[NH+]3CCN(C)CC3)cc2)c1[N+](=O)[O-] ZINC000573973735 1074807438 /nfs/dbraw/zinc/80/74/38/1074807438.db2.gz NADBPTGVYWSRKA-UHFFFAOYSA-N 1 1 413.478 2.444 20 5 HDBDMO CCN1CC[NH+](Cc2ccccc2CNC(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 ZINC000552979865 1075233272 /nfs/dbraw/zinc/23/32/72/1075233272.db2.gz DCMZVNFMAGYMDC-UHFFFAOYSA-N 1 1 412.494 2.099 20 5 HDBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000429389283 1075331368 /nfs/dbraw/zinc/33/13/68/1075331368.db2.gz UVJNZAYXQHMEDP-HOCLYGCPSA-N 1 1 412.512 1.392 20 5 HDBDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000731619227 1075415072 /nfs/dbraw/zinc/41/50/72/1075415072.db2.gz SVLWIMYEWFSVJU-INMHGKMJSA-N 1 1 405.451 1.886 20 5 HDBDMO CC[N@H+]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000611087670 1075827148 /nfs/dbraw/zinc/82/71/48/1075827148.db2.gz CARVFQKCIVSRDY-PBHICJAKSA-N 1 1 410.496 1.301 20 5 HDBDMO CC[N@H+]1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000611088297 1075828005 /nfs/dbraw/zinc/82/80/05/1075828005.db2.gz OJFTVXCMFVRSBN-MAUKXSAKSA-N 1 1 424.523 1.691 20 5 HDBDMO CC[N@H+]1CCN(C(=O)[C@H](CCSC)NC(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000611088091 1075832188 /nfs/dbraw/zinc/83/21/88/1075832188.db2.gz CJIBZRDTSVDCSE-PBHICJAKSA-N 1 1 408.524 1.999 20 5 HDBDMO COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000611194017 1075870472 /nfs/dbraw/zinc/87/04/72/1075870472.db2.gz JUABPMWIFJTCQH-IUODEOHRSA-N 1 1 411.480 1.699 20 5 HDBDMO COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000611194017 1075870475 /nfs/dbraw/zinc/87/04/75/1075870475.db2.gz JUABPMWIFJTCQH-IUODEOHRSA-N 1 1 411.480 1.699 20 5 HDBDMO O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000611462180 1075936743 /nfs/dbraw/zinc/93/67/43/1075936743.db2.gz NXGNTTQJDHGMMV-QGZVFWFLSA-N 1 1 418.494 1.758 20 5 HDBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(SC)nc(Cl)c1[N+](=O)[O-])CC2 ZINC001164686326 719701939 /nfs/dbraw/zinc/70/19/39/719701939.db2.gz ZJWLLQTYAHWTNX-UHFFFAOYSA-N 1 1 414.919 1.941 20 5 HDBDMO COc1ncnc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c1[N+](=O)[O-] ZINC001164814016 720223543 /nfs/dbraw/zinc/22/35/43/720223543.db2.gz QZPQFYCJZPRQSG-UHFFFAOYSA-N 1 1 403.443 1.201 20 5 HDBDMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc4ccc([N+](=O)[O-])cc4n3)C2)C1 ZINC001164720463 720236464 /nfs/dbraw/zinc/23/64/64/720236464.db2.gz WKNGSSZBHAAMIG-OAQYLSRUSA-N 1 1 413.478 1.808 20 5 HDBDMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc4ccc([N+](=O)[O-])cc4n3)C2)C1 ZINC001164720463 720236467 /nfs/dbraw/zinc/23/64/67/720236467.db2.gz WKNGSSZBHAAMIG-OAQYLSRUSA-N 1 1 413.478 1.808 20 5 HDBDMO CC(C)Oc1nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164737179 720774825 /nfs/dbraw/zinc/77/48/25/720774825.db2.gz AKQDJUMPLHRAPX-GJZGRUSLSA-N 1 1 400.439 1.909 20 5 HDBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H]2C[N@@H+](CCOC)CCO[C@H]2C1 ZINC001164852125 720864835 /nfs/dbraw/zinc/86/48/35/720864835.db2.gz CCFJRWMMHAQBPJ-YOEHRIQHSA-N 1 1 408.455 1.340 20 5 HDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164760520 721244722 /nfs/dbraw/zinc/24/47/22/721244722.db2.gz FMNQUCXHYKWFNQ-GJZGRUSLSA-N 1 1 400.439 1.468 20 5 HDBDMO COc1cc(C)nc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c1[N+](=O)[O-] ZINC001164868940 721271033 /nfs/dbraw/zinc/27/10/33/721271033.db2.gz GOYMAKUMRQQCPW-UHFFFAOYSA-N 1 1 421.498 1.314 20 5 HDBDMO COc1nc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)ncc1[N+](=O)[O-] ZINC001164889352 721380308 /nfs/dbraw/zinc/38/03/08/721380308.db2.gz LTBSANMYHVYFKA-DNVCBOLYSA-N 1 1 406.487 1.159 20 5 HDBDMO COc1cc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)ncc1[N+](=O)[O-] ZINC001164884461 721404255 /nfs/dbraw/zinc/40/42/55/721404255.db2.gz DFBJQQIUZXSIRR-UZLBHIALSA-N 1 1 405.499 1.764 20 5 HDBDMO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164884571 721411212 /nfs/dbraw/zinc/41/12/12/721411212.db2.gz DXBAPJNFTKDJNH-OXQOHEQNSA-N 1 1 420.514 1.467 20 5 HDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164781257 721436851 /nfs/dbraw/zinc/43/68/51/721436851.db2.gz CUDBQXPYSDOYPC-CHWSQXEVSA-N 1 1 403.468 1.676 20 5 HDBDMO COc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ncc1[N+](=O)[O-] ZINC001164795123 721525169 /nfs/dbraw/zinc/52/51/69/721525169.db2.gz JSVKCPIILZCDGB-BHYGNILZSA-N 1 1 400.439 1.657 20 5 HDBDMO COc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ncc1[N+](=O)[O-] ZINC001164795123 721525171 /nfs/dbraw/zinc/52/51/71/721525171.db2.gz JSVKCPIILZCDGB-BHYGNILZSA-N 1 1 400.439 1.657 20 5 HDBDMO C[NH+]1CCN(c2ncnc3c2CCN(c2ncc([N+](=O)[O-])cc2Cl)CC3)CC1 ZINC001164996028 722229504 /nfs/dbraw/zinc/22/95/04/722229504.db2.gz AVAUOKRJSNSVMA-UHFFFAOYSA-N 1 1 403.874 1.790 20 5 HDBDMO C[NH+]1CCN(c2ncnc3c2CCN(c2cnc4ccc([N+](=O)[O-])cc4n2)CC3)CC1 ZINC001164998070 722229951 /nfs/dbraw/zinc/22/99/51/722229951.db2.gz WHMAQTHIMTVNNW-UHFFFAOYSA-N 1 1 420.477 1.685 20 5 HDBDMO C[C@@H](O)C[N@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000502000127 1073799697 /nfs/dbraw/zinc/79/96/97/1073799697.db2.gz BWPPYPSAGAIEGT-VXGBXAGGSA-N 1 1 415.288 1.683 20 5 HDBDMO C[C@@H](O)C[N@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000502000120 1073799791 /nfs/dbraw/zinc/79/97/91/1073799791.db2.gz BWPPYPSAGAIEGT-NWDGAFQWSA-N 1 1 415.288 1.683 20 5 HDBDMO O=C(NCCNc1ncnc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000539383261 1074745489 /nfs/dbraw/zinc/74/54/89/1074745489.db2.gz CCXTZOHJHZNDQZ-SFHVURJKSA-N 1 1 414.466 1.710 20 5 HDBDMO CN(C)C(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 ZINC000462489580 1075591122 /nfs/dbraw/zinc/59/11/22/1075591122.db2.gz LIXGCTXNNJYJJJ-UHFFFAOYSA-N 1 1 413.478 2.533 20 5 HDBDMO CN(C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000732816312 1075876875 /nfs/dbraw/zinc/87/68/75/1075876875.db2.gz UJPQPKIWSQICFP-UHFFFAOYSA-N 1 1 423.333 1.471 20 5 HDBDMO O=C(C[N@H+]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1)N1CCCC1 ZINC000611254107 1075884298 /nfs/dbraw/zinc/88/42/98/1075884298.db2.gz WMABOMQZZKHKAK-UHFFFAOYSA-N 1 1 404.467 1.496 20 5 HDBDMO O=C(C[N@@H+]1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1)N1CCCC1 ZINC000611254107 1075884301 /nfs/dbraw/zinc/88/43/01/1075884301.db2.gz WMABOMQZZKHKAK-UHFFFAOYSA-N 1 1 404.467 1.496 20 5 HDBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000728061031 1076314527 /nfs/dbraw/zinc/31/45/27/1076314527.db2.gz ZBCHYOWMKLZORX-NSHDSACASA-N 1 1 404.876 1.114 20 5 HDBDMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001164706036 719851300 /nfs/dbraw/zinc/85/13/00/719851300.db2.gz WIZPLYYYPGTDRK-YWZLYKJASA-N 1 1 415.450 1.771 20 5 HDBDMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc4[nH]cc([N+](=O)[O-])c4n3)C2)C1 ZINC001164717500 720262031 /nfs/dbraw/zinc/26/20/31/720262031.db2.gz AAELUVMEDIJUGB-IBGZPJMESA-N 1 1 402.455 1.136 20 5 HDBDMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc4[nH]cc([N+](=O)[O-])c4n3)C2)C1 ZINC001164717500 720262035 /nfs/dbraw/zinc/26/20/35/720262035.db2.gz AAELUVMEDIJUGB-IBGZPJMESA-N 1 1 402.455 1.136 20 5 HDBDMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc([N+](=O)[O-])c(OC(C)C)n3)C2)C1 ZINC001164723738 720293870 /nfs/dbraw/zinc/29/38/70/720293870.db2.gz XRPFRNQOJXQLIT-HXUWFJFHSA-N 1 1 421.498 1.442 20 5 HDBDMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc([N+](=O)[O-])c(OC(C)C)n3)C2)C1 ZINC001164723738 720293884 /nfs/dbraw/zinc/29/38/84/720293884.db2.gz XRPFRNQOJXQLIT-HXUWFJFHSA-N 1 1 421.498 1.442 20 5 HDBDMO CSc1nc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164738400 720710787 /nfs/dbraw/zinc/71/07/87/720710787.db2.gz JIDLYCWEPUFSPG-GHMZBOCLSA-N 1 1 423.886 1.892 20 5 HDBDMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(/C=C\N(C)C)c([N+](=O)[O-])cn3)CC[C@H]2C1 ZINC001164856603 720873699 /nfs/dbraw/zinc/87/36/99/720873699.db2.gz IKSVZSKFVLGVDF-SGPPOJGOSA-N 1 1 405.499 1.696 20 5 HDBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164766631 721083232 /nfs/dbraw/zinc/08/32/32/721083232.db2.gz LBKMLLVXHUQMOI-CABCVRRESA-N 1 1 400.439 1.468 20 5 HDBDMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)C1 ZINC001164874221 721262603 /nfs/dbraw/zinc/26/26/03/721262603.db2.gz JQZIVJNZRQCBPX-UHFFFAOYSA-N 1 1 411.890 1.650 20 5 HDBDMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(Cl)cc([N+](=O)[O-])n3)CC2)C1 ZINC001164869432 721269621 /nfs/dbraw/zinc/26/96/21/721269621.db2.gz OBAYRHMQFFEMNC-UHFFFAOYSA-N 1 1 411.890 1.650 20 5 HDBDMO COc1cc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)ncc1[N+](=O)[O-] ZINC001164884460 721403783 /nfs/dbraw/zinc/40/37/83/721403783.db2.gz DFBJQQIUZXSIRR-OXQOHEQNSA-N 1 1 405.499 1.764 20 5 HDBDMO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164884572 721411374 /nfs/dbraw/zinc/41/13/74/721411374.db2.gz DXBAPJNFTKDJNH-UZLBHIALSA-N 1 1 420.514 1.467 20 5 HDBDMO COc1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164984288 722099540 /nfs/dbraw/zinc/09/95/40/722099540.db2.gz SBWATHOUESSCDS-RDJZCZTQSA-N 1 1 400.439 1.516 20 5 HDBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1 ZINC000502363649 1073824669 /nfs/dbraw/zinc/82/46/69/1073824669.db2.gz XHFIFYMRGRHIHX-SFHVURJKSA-N 1 1 413.496 1.490 20 5 HDBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000429191924 1074036155 /nfs/dbraw/zinc/03/61/55/1074036155.db2.gz ZAEUQLDYSQMSOB-UHFFFAOYSA-N 1 1 404.467 1.680 20 5 HDBDMO COC(=O)c1cc(C)nc(NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000561257506 1074805674 /nfs/dbraw/zinc/80/56/74/1074805674.db2.gz DNTVTTZIKNZJOF-HOTGVXAUSA-N 1 1 400.435 2.132 20 5 HDBDMO COc1cc2[nH+]c(N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)nc(N)c2cc1OC ZINC000609495639 1075706203 /nfs/dbraw/zinc/70/62/03/1075706203.db2.gz HCBRIDNKNOFLBG-UHFFFAOYSA-N 1 1 411.422 1.859 20 5 HDBDMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000732574880 1075793417 /nfs/dbraw/zinc/79/34/17/1075793417.db2.gz FKEVOEDLNCMQRO-UHFFFAOYSA-N 1 1 404.858 1.980 20 5 HDBDMO CC[N@H+]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000611088298 1075827880 /nfs/dbraw/zinc/82/78/80/1075827880.db2.gz OJFTVXCMFVRSBN-QAPCUYQASA-N 1 1 424.523 1.691 20 5 HDBDMO CC[N@H+]1CCN(C(=O)[C@@H](CCSC)NC(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000611088092 1075832206 /nfs/dbraw/zinc/83/22/06/1075832206.db2.gz CJIBZRDTSVDCSE-RHSMWYFYSA-N 1 1 408.524 1.999 20 5 HDBDMO CC(=O)N1CCN(c2ccc(C(=O)N3[C@H](C)C[NH+](C)C[C@H]3C)cc2[N+](=O)[O-])CC1 ZINC000611124383 1075851027 /nfs/dbraw/zinc/85/10/27/1075851027.db2.gz SWARHRUKJMGDAJ-HUUCEWRRSA-N 1 1 403.483 1.428 20 5 HDBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000611176436 1075869879 /nfs/dbraw/zinc/86/98/79/1075869879.db2.gz YEJHERKHILKMEV-UHFFFAOYSA-N 1 1 417.510 1.859 20 5 HDBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000611202593 1075877382 /nfs/dbraw/zinc/87/73/82/1075877382.db2.gz YVGITAPLTYUIJA-GOSISDBHSA-N 1 1 412.450 1.335 20 5 HDBDMO C[N@H+]1CCCN(CCCNC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1 ZINC000611464675 1075945616 /nfs/dbraw/zinc/94/56/16/1075945616.db2.gz HAUTYGXOVRGZKQ-UHFFFAOYSA-N 1 1 405.499 1.189 20 5 HDBDMO CN1CCC[N@H+](CCCNC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1 ZINC000611464675 1075945620 /nfs/dbraw/zinc/94/56/20/1075945620.db2.gz HAUTYGXOVRGZKQ-UHFFFAOYSA-N 1 1 405.499 1.189 20 5 HDBDMO CN1CCC[N@@H+](CCCNC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1 ZINC000611464675 1075945623 /nfs/dbraw/zinc/94/56/23/1075945623.db2.gz HAUTYGXOVRGZKQ-UHFFFAOYSA-N 1 1 405.499 1.189 20 5 HDBDMO Cc1c(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000728077722 1076334139 /nfs/dbraw/zinc/33/41/39/1076334139.db2.gz MEJSLGCITUPYLA-CYBMUJFWSA-N 1 1 407.427 1.437 20 5 HDBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc([N+](=O)[O-])cc1C(=O)OC)C2 ZINC001164806981 720078278 /nfs/dbraw/zinc/07/82/78/720078278.db2.gz DVQSTRSOLCOSLQ-FOIQADDNSA-N 1 1 404.467 1.961 20 5 HDBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc(C(=O)OC)cc1[N+](=O)[O-])C2 ZINC001164813071 720094985 /nfs/dbraw/zinc/09/49/85/720094985.db2.gz SCBQZAWCZMLKLB-OXQOHEQNSA-N 1 1 404.467 1.961 20 5 HDBDMO CC(C)N(C)Cc1cnc2n1CCN(c1ncc([N+](=O)[O-])c(C3C[NH2+]C3)n1)[C@H]2C ZINC001164864533 721024432 /nfs/dbraw/zinc/02/44/32/721024432.db2.gz XWBQPJWLMIUGKJ-ZDUSSCGKSA-N 1 1 400.487 1.690 20 5 HDBDMO COc1nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164863562 721086136 /nfs/dbraw/zinc/08/61/36/721086136.db2.gz CWSPKQJNFJUESA-HUUCEWRRSA-N 1 1 416.438 1.277 20 5 HDBDMO COC(=O)c1ccnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164865549 721098905 /nfs/dbraw/zinc/09/89/05/721098905.db2.gz MOWDTLMPCKKOCW-JKSUJKDBSA-N 1 1 413.434 1.651 20 5 HDBDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc([N+](=O)[O-])cc[n+]1[O-])CC2 ZINC001164785933 721450693 /nfs/dbraw/zinc/45/06/93/721450693.db2.gz IVCFWCLKXXCTOY-IBGZPJMESA-N 1 1 420.510 1.962 20 5 HDBDMO COc1ncnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1[N+](=O)[O-] ZINC001164804678 721554425 /nfs/dbraw/zinc/55/44/25/721554425.db2.gz LXUVLFZHQZRPHP-YQQAZPJKSA-N 1 1 400.439 1.657 20 5 HDBDMO COc1ncnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1[N+](=O)[O-] ZINC001164804678 721554430 /nfs/dbraw/zinc/55/44/30/721554430.db2.gz LXUVLFZHQZRPHP-YQQAZPJKSA-N 1 1 400.439 1.657 20 5 HDBDMO COc1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164984286 722099447 /nfs/dbraw/zinc/09/94/47/722099447.db2.gz SBWATHOUESSCDS-DOTOQJQBSA-N 1 1 400.439 1.516 20 5 HDBDMO C[NH+]1CCN(c2ncnc3c2CCN(c2cc([N+](=O)[O-])cc(Cl)n2)CC3)CC1 ZINC001164997019 722229041 /nfs/dbraw/zinc/22/90/41/722229041.db2.gz MAYHYAMEHWDNFN-UHFFFAOYSA-N 1 1 403.874 1.790 20 5 HDBDMO Cc1nc(Cl)nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c1[N+](=O)[O-] ZINC001164998098 722229120 /nfs/dbraw/zinc/22/91/20/722229120.db2.gz XKPNGMOSOSFGJA-UHFFFAOYSA-N 1 1 418.889 1.494 20 5 HDBDMO C[NH+]1CCN(c2ncnc3c2CCN(c2ncnc4cccc([N+](=O)[O-])c42)CC3)CC1 ZINC001165001540 722239222 /nfs/dbraw/zinc/23/92/22/722239222.db2.gz IHBRCTAOELRZIP-UHFFFAOYSA-N 1 1 420.477 1.685 20 5 HDBDMO Cc1cc(NC(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cn2cc[nH+]c12 ZINC000555838691 1073542506 /nfs/dbraw/zinc/54/25/06/1073542506.db2.gz WGTLLDUIOPZSHG-UHFFFAOYSA-N 1 1 408.418 1.838 20 5 HDBDMO NS(=O)(=O)c1cccc(NCC[NH+]2CCN(c3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000302036406 1073581082 /nfs/dbraw/zinc/58/10/82/1073581082.db2.gz PMQIBNATGJGTOS-UHFFFAOYSA-N 1 1 423.470 1.615 20 5 HDBDMO C[C@H](C(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543526797 1074012779 /nfs/dbraw/zinc/01/27/79/1074012779.db2.gz IQPDQVLCZINDKS-JSGCOSHPSA-N 1 1 401.460 1.415 20 5 HDBDMO COC(=O)c1cc(C)nc(NCc2ccc(C[NH+]3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000561104809 1074807552 /nfs/dbraw/zinc/80/75/52/1074807552.db2.gz BBQTYTZDYWDIBX-UHFFFAOYSA-N 1 1 400.435 2.529 20 5 HDBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000543679149 1075604112 /nfs/dbraw/zinc/60/41/12/1075604112.db2.gz CGGGBIMLJUTPHW-UHFFFAOYSA-N 1 1 424.523 1.386 20 5 HDBDMO Nc1nsc(N2CC[NH+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)n1 ZINC000468918873 1075771833 /nfs/dbraw/zinc/77/18/33/1075771833.db2.gz JPLUQIRVUUAHPG-UHFFFAOYSA-N 1 1 401.452 2.048 20 5 HDBDMO CC[N@H+]1CCN(C(=O)[C@@H](CCSC)NC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000611088093 1075832128 /nfs/dbraw/zinc/83/21/28/1075832128.db2.gz CJIBZRDTSVDCSE-WMLDXEAASA-N 1 1 408.524 1.999 20 5 HDBDMO CC(C)[NH+]1CCN(C2CCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC2)CC1 ZINC000611181105 1075868171 /nfs/dbraw/zinc/86/81/71/1075868171.db2.gz ZWKQXFXQYQTTBA-UHFFFAOYSA-N 1 1 415.538 1.974 20 5 HDBDMO O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000611464729 1075942071 /nfs/dbraw/zinc/94/20/71/1075942071.db2.gz VAIKUFZSYHPPIH-AEFFLSMTSA-N 1 1 404.467 1.103 20 5 HDBDMO O=[N+]([O-])c1ccc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000727827248 1076262558 /nfs/dbraw/zinc/26/25/58/1076262558.db2.gz ZVHMCWPMPRDIAY-CQSZACIVSA-N 1 1 421.479 1.723 20 5 HDBDMO Cc1cc(C(=O)OCC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c(N)c([N+](=O)[O-])c1 ZINC000727899774 1076278553 /nfs/dbraw/zinc/27/85/53/1076278553.db2.gz MDYALQHKKHVXKS-CQSZACIVSA-N 1 1 408.455 1.115 20 5 HDBDMO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000730569252 1076604190 /nfs/dbraw/zinc/60/41/90/1076604190.db2.gz LCGGDQUXZYENRJ-CQSZACIVSA-N 1 1 421.454 1.896 20 5 HDBDMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000730683211 1076633244 /nfs/dbraw/zinc/63/32/44/1076633244.db2.gz BSDRKTWIRNMYQA-HNNXBMFYSA-N 1 1 423.901 1.815 20 5 HDBDMO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000731216790 1076765559 /nfs/dbraw/zinc/76/55/59/1076765559.db2.gz XGCVZPLRJAPICT-AAEUAGOBSA-N 1 1 420.285 1.499 20 5 HDBDMO O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000731216790 1076765574 /nfs/dbraw/zinc/76/55/74/1076765574.db2.gz XGCVZPLRJAPICT-AAEUAGOBSA-N 1 1 420.285 1.499 20 5 HDBDMO COCCN1CC[N@H+](C)C2(CCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)C1=O ZINC001164637976 719278748 /nfs/dbraw/zinc/27/87/48/719278748.db2.gz BVEKOMKGSXKHDQ-UHFFFAOYSA-N 1 1 413.478 1.902 20 5 HDBDMO COCCN1CC[N@@H+](C)C2(CCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)C1=O ZINC001164637976 719278756 /nfs/dbraw/zinc/27/87/56/719278756.db2.gz BVEKOMKGSXKHDQ-UHFFFAOYSA-N 1 1 413.478 1.902 20 5 HDBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nccc(C(=O)OC)c1[N+](=O)[O-])C2 ZINC001164807340 720127996 /nfs/dbraw/zinc/12/79/96/720127996.db2.gz BYXWZQBQHITMJY-QRWLVFNGSA-N 1 1 404.467 1.961 20 5 HDBDMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nccc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC001164721577 720277161 /nfs/dbraw/zinc/27/71/61/720277161.db2.gz LHGBAIPRUCDHDG-OAQYLSRUSA-N 1 1 413.478 1.808 20 5 HDBDMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nccc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC001164721577 720277179 /nfs/dbraw/zinc/27/71/79/720277179.db2.gz LHGBAIPRUCDHDG-OAQYLSRUSA-N 1 1 413.478 1.808 20 5 HDBDMO COc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c([N+](=O)[O-])c1 ZINC001164738506 720825557 /nfs/dbraw/zinc/82/55/57/720825557.db2.gz GEJSOCQMBPIAHE-LZLYRXPVSA-N 1 1 413.482 1.969 20 5 HDBDMO COc1ncnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1[N+](=O)[O-] ZINC001164740323 720828540 /nfs/dbraw/zinc/82/85/40/720828540.db2.gz KEVGODSIBMEPLF-OWCLPIDISA-N 1 1 414.470 1.364 20 5 HDBDMO COCC[N@H+]1CCO[C@H]2CN(c3nc(SC)nc(Cl)c3[N+](=O)[O-])CC[C@H]2C1 ZINC001164852877 720838357 /nfs/dbraw/zinc/83/83/57/720838357.db2.gz MEDSXGFQITZEHB-RYUDHWBXSA-N 1 1 417.919 1.934 20 5 HDBDMO COCC[N@H+]1CCO[C@H]2CN(c3ncnc4cc(OC)c([N+](=O)[O-])cc43)CC[C@@H]2C1 ZINC001164860961 720857050 /nfs/dbraw/zinc/85/70/50/720857050.db2.gz XMODXEGKMSJDLQ-KUHUBIRLSA-N 1 1 417.466 1.720 20 5 HDBDMO COC(=O)c1ccnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164865547 721098459 /nfs/dbraw/zinc/09/84/59/721098459.db2.gz MOWDTLMPCKKOCW-HOTGVXAUSA-N 1 1 413.434 1.651 20 5 HDBDMO COC(=O)c1ccnc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164764345 721147951 /nfs/dbraw/zinc/14/79/51/721147951.db2.gz HSXULZYDVDBKLE-LSDHHAIUSA-N 1 1 400.439 1.468 20 5 HDBDMO CCOc1nc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)ccc1[N+](=O)[O-] ZINC001164874494 721281301 /nfs/dbraw/zinc/28/13/01/721281301.db2.gz SRVOHSABHBRLIU-UHFFFAOYSA-N 1 1 421.498 1.396 20 5 HDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC001165045558 721961609 /nfs/dbraw/zinc/96/16/09/721961609.db2.gz YKDSBXAXHVJSGL-UHFFFAOYSA-N 1 1 400.439 1.853 20 5 HDBDMO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164977337 722118213 /nfs/dbraw/zinc/11/82/13/722118213.db2.gz MOTGCZWFZAVNPQ-IRXDYDNUSA-N 1 1 414.466 1.824 20 5 HDBDMO C[C@@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)CN1CC[NH+](C)CC1 ZINC000303501528 1073743729 /nfs/dbraw/zinc/74/37/29/1073743729.db2.gz APNWRIVCBMDQIN-KRWDZBQOSA-N 1 1 403.527 1.811 20 5 HDBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000303532326 1073748379 /nfs/dbraw/zinc/74/83/79/1073748379.db2.gz GQCWUHPDXKSGMJ-INIZCTEOSA-N 1 1 400.483 1.784 20 5 HDBDMO CC(C)OC(=O)C[C@@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000543498853 1073853809 /nfs/dbraw/zinc/85/38/09/1073853809.db2.gz RVMYQVOSCXIKKT-DOTOQJQBSA-N 1 1 406.483 1.730 20 5 HDBDMO COC(=O)c1cc(C)nc(NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000576967689 1074806796 /nfs/dbraw/zinc/80/67/96/1074806796.db2.gz SAAJXPFTBTZFTO-HXUWFJFHSA-N 1 1 400.435 2.134 20 5 HDBDMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC2)CC1 ZINC000731352042 1075315012 /nfs/dbraw/zinc/31/50/12/1075315012.db2.gz CMKFUPVSKVRXMV-UHFFFAOYSA-N 1 1 419.438 1.519 20 5 HDBDMO COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000731606102 1075397222 /nfs/dbraw/zinc/39/72/22/1075397222.db2.gz IBVRCXVKPSKWEI-UHFFFAOYSA-N 1 1 413.430 1.969 20 5 HDBDMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000731640383 1075441577 /nfs/dbraw/zinc/44/15/77/1075441577.db2.gz ZVCBYZOXTRDOCI-KRWDZBQOSA-N 1 1 404.467 1.415 20 5 HDBDMO C[N@@H+](CCOc1cccc(CNc2ncc([N+](=O)[O-])c(N)n2)c1)C1CCOCC1 ZINC000609075239 1075663760 /nfs/dbraw/zinc/66/37/60/1075663760.db2.gz ZPGJRUHODMGQLY-UHFFFAOYSA-N 1 1 402.455 1.491 20 5 HDBDMO CCn1cc(S(=O)(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c([N+](=O)[O-])n1 ZINC000611106933 1075838558 /nfs/dbraw/zinc/83/85/58/1075838558.db2.gz CGELMNDXEBBVLV-CQSZACIVSA-N 1 1 423.495 1.510 20 5 HDBDMO CCn1cc(S(=O)(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c([N+](=O)[O-])n1 ZINC000611106933 1075838565 /nfs/dbraw/zinc/83/85/65/1075838565.db2.gz CGELMNDXEBBVLV-CQSZACIVSA-N 1 1 423.495 1.510 20 5 HDBDMO CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000611176412 1075869828 /nfs/dbraw/zinc/86/98/28/1075869828.db2.gz OVQJJUXKSILZGM-UHFFFAOYSA-N 1 1 403.483 1.550 20 5 HDBDMO COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000611194018 1075870521 /nfs/dbraw/zinc/87/05/21/1075870521.db2.gz JUABPMWIFJTCQH-SWLSCSKDSA-N 1 1 411.480 1.699 20 5 HDBDMO COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000611194018 1075870525 /nfs/dbraw/zinc/87/05/25/1075870525.db2.gz JUABPMWIFJTCQH-SWLSCSKDSA-N 1 1 411.480 1.699 20 5 HDBDMO CCOc1ccc(NC(=O)CN2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000611244281 1075885114 /nfs/dbraw/zinc/88/51/14/1075885114.db2.gz NSJVTTGYCWXDAH-KRWDZBQOSA-N 1 1 419.482 1.346 20 5 HDBDMO Cc1c([N+](=O)[O-])cc(C(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000733368127 1076055001 /nfs/dbraw/zinc/05/50/01/1076055001.db2.gz RCNAOJASRNNIBQ-CYBMUJFWSA-N 1 1 414.440 1.002 20 5 HDBDMO C[NH+]1CCN(C(=O)CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 ZINC000733884382 1076239604 /nfs/dbraw/zinc/23/96/04/1076239604.db2.gz SDZWTQDDMHCAEP-UHFFFAOYSA-N 1 1 403.483 1.479 20 5 HDBDMO COCCN1CC[N@H+](C)C2(CCN(c3ncnc4ccc([N+](=O)[O-])cc43)CC2)C1=O ZINC001164636518 719273609 /nfs/dbraw/zinc/27/36/09/719273609.db2.gz UXRZODUMWALCHQ-UHFFFAOYSA-N 1 1 414.466 1.297 20 5 HDBDMO COCCN1CC[N@@H+](C)C2(CCN(c3ncnc4ccc([N+](=O)[O-])cc43)CC2)C1=O ZINC001164636518 719273611 /nfs/dbraw/zinc/27/36/11/719273611.db2.gz UXRZODUMWALCHQ-UHFFFAOYSA-N 1 1 414.466 1.297 20 5 HDBDMO O=[N+]([O-])c1c(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)ncnc1N1CC[NH2+]CC1 ZINC001164730338 720349047 /nfs/dbraw/zinc/34/90/47/720349047.db2.gz ZCDKVRLKRNHNFD-SJORKVTESA-N 1 1 410.482 1.043 20 5 HDBDMO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164738297 720660216 /nfs/dbraw/zinc/66/02/16/720660216.db2.gz IUTPAJBEFBDSCZ-NXEZZACHSA-N 1 1 412.237 1.824 20 5 HDBDMO CCOC(=O)c1ccnc(N2CC[C@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)c1[N+](=O)[O-] ZINC001164857713 720886228 /nfs/dbraw/zinc/88/62/28/720886228.db2.gz KLGVVKFQTJMQSH-GOEBONIOSA-N 1 1 408.455 1.340 20 5 HDBDMO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164865116 721110186 /nfs/dbraw/zinc/11/01/86/721110186.db2.gz IMAFCRXEVVHKMX-HZPDHXFCSA-N 1 1 405.842 1.756 20 5 HDBDMO COC(=O)c1ccnc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164764343 721148883 /nfs/dbraw/zinc/14/88/83/721148883.db2.gz HSXULZYDVDBKLE-HUUCEWRRSA-N 1 1 400.439 1.468 20 5 HDBDMO CCOC(=O)c1ccnc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC001164761918 721230226 /nfs/dbraw/zinc/23/02/26/721230226.db2.gz KIMIQATWXVMZNK-CVEARBPZSA-N 1 1 414.466 1.858 20 5 HDBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164760524 721245155 /nfs/dbraw/zinc/24/51/55/721245155.db2.gz FMNQUCXHYKWFNQ-LSDHHAIUSA-N 1 1 400.439 1.468 20 5 HDBDMO Cc1c(C)c(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)ncc1[N+](=O)[O-] ZINC001164875963 721275887 /nfs/dbraw/zinc/27/58/87/721275887.db2.gz ZSZAKWSDPWQIDG-UHFFFAOYSA-N 1 1 405.499 1.614 20 5 HDBDMO CN1CC[NH+](Cc2ccc(CNc3cccc(S(N)(=O)=O)c3[N+](=O)[O-])cc2)CC1 ZINC000302140460 1073586731 /nfs/dbraw/zinc/58/67/31/1073586731.db2.gz ORNRPIKPMANGNG-UHFFFAOYSA-N 1 1 419.507 1.602 20 5 HDBDMO O=C(Cn1cnc([N+](=O)[O-])n1)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000489806885 1073592700 /nfs/dbraw/zinc/59/27/00/1073592700.db2.gz KKRUVAXUXSZTRL-UHFFFAOYSA-N 1 1 412.372 1.986 20 5 HDBDMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000429178217 1073958631 /nfs/dbraw/zinc/95/86/31/1073958631.db2.gz SRVXLNPTYIXWKU-IAQYHMDHSA-N 1 1 415.288 1.683 20 5 HDBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000429389279 1075331357 /nfs/dbraw/zinc/33/13/57/1075331357.db2.gz UVJNZAYXQHMEDP-GDBMZVCRSA-N 1 1 412.512 1.392 20 5 HDBDMO Cc1[nH+]ccn1CCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000509444215 1075749345 /nfs/dbraw/zinc/74/93/45/1075749345.db2.gz MXTBDJSURDNNNO-UHFFFAOYSA-N 1 1 409.468 1.623 20 5 HDBDMO CC[N@H+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C[C@H]1C ZINC000611088227 1075827636 /nfs/dbraw/zinc/82/76/36/1075827636.db2.gz KHTDAVYFXPUCGX-CVEARBPZSA-N 1 1 424.523 1.548 20 5 HDBDMO CCN1C(=O)N=NC1C1CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000611140095 1075859255 /nfs/dbraw/zinc/85/92/55/1075859255.db2.gz YZRFQNRYKQHDRY-UHFFFAOYSA-N 1 1 400.439 1.681 20 5 HDBDMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000611209936 1075874713 /nfs/dbraw/zinc/87/47/13/1075874713.db2.gz OWIAHCJGPUUUQU-SFHVURJKSA-N 1 1 417.510 1.675 20 5 HDBDMO C[N@H+]1CCCN(CCCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC000733882298 1076238442 /nfs/dbraw/zinc/23/84/42/1076238442.db2.gz GPAFEQWWMATDLZ-UHFFFAOYSA-N 1 1 405.499 1.189 20 5 HDBDMO CN1CCC[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC000733882298 1076238447 /nfs/dbraw/zinc/23/84/47/1076238447.db2.gz GPAFEQWWMATDLZ-UHFFFAOYSA-N 1 1 405.499 1.189 20 5 HDBDMO CN1CCC[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 ZINC000733882298 1076238453 /nfs/dbraw/zinc/23/84/53/1076238453.db2.gz GPAFEQWWMATDLZ-UHFFFAOYSA-N 1 1 405.499 1.189 20 5 HDBDMO Cc1c(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000728073361 1076333498 /nfs/dbraw/zinc/33/34/98/1076333498.db2.gz RRVKMZBHLRWIFC-OAHLLOKOSA-N 1 1 407.427 1.484 20 5 HDBDMO C[N@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000730574733 1076607515 /nfs/dbraw/zinc/60/75/15/1076607515.db2.gz ANCYGVFRBLVZIE-AWEZNQCLSA-N 1 1 400.476 1.525 20 5 HDBDMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3ccc(N)c([N+](=O)[O-])c3)c2)C1 ZINC000731008593 1076709545 /nfs/dbraw/zinc/70/95/45/1076709545.db2.gz JUYBBALKSZUNDE-QGZVFWFLSA-N 1 1 411.462 1.804 20 5 HDBDMO CCOC(=O)C(C(=O)OCC)c1nc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001164637940 719258219 /nfs/dbraw/zinc/25/82/19/719258219.db2.gz XGQGFBHBPXXOCJ-QWHCGFSZSA-N 1 1 408.455 1.728 20 5 HDBDMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001164703434 719851675 /nfs/dbraw/zinc/85/16/75/719851675.db2.gz PUQUKFMXVKHMOP-YWZLYKJASA-N 1 1 415.450 1.771 20 5 HDBDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])CCC2 ZINC001164812030 720229063 /nfs/dbraw/zinc/22/90/63/720229063.db2.gz ASDRXDBFAHUORQ-UHFFFAOYSA-N 1 1 422.873 1.689 20 5 HDBDMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc([N+](=O)[O-])c4ccccc43)C2)C1 ZINC001164719990 720242520 /nfs/dbraw/zinc/24/25/20/720242520.db2.gz QDQPDSAZHFCUGY-OAQYLSRUSA-N 1 1 413.478 1.808 20 5 HDBDMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc([N+](=O)[O-])c4ccccc43)C2)C1 ZINC001164719990 720242525 /nfs/dbraw/zinc/24/25/25/720242525.db2.gz QDQPDSAZHFCUGY-OAQYLSRUSA-N 1 1 413.478 1.808 20 5 HDBDMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4cccc([N+](=O)[O-])c43)C2)C1 ZINC001164721326 720303116 /nfs/dbraw/zinc/30/31/16/720303116.db2.gz FXOQXEJRFXAFHM-HXUWFJFHSA-N 1 1 414.466 1.203 20 5 HDBDMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4cccc([N+](=O)[O-])c43)C2)C1 ZINC001164721326 720303125 /nfs/dbraw/zinc/30/31/25/720303125.db2.gz FXOQXEJRFXAFHM-HXUWFJFHSA-N 1 1 414.466 1.203 20 5 HDBDMO CSc1nc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164738403 720710444 /nfs/dbraw/zinc/71/04/44/720710444.db2.gz JIDLYCWEPUFSPG-MNOVXSKESA-N 1 1 423.886 1.892 20 5 HDBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164746835 720729464 /nfs/dbraw/zinc/72/94/64/720729464.db2.gz YSJLZTDEZONOBJ-LSDHHAIUSA-N 1 1 414.422 1.298 20 5 HDBDMO COC(=O)c1cnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164866049 721069786 /nfs/dbraw/zinc/06/97/86/721069786.db2.gz CCTMLKSTYFYTBV-DLBZAZTESA-N 1 1 413.434 1.651 20 5 HDBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164764782 721240197 /nfs/dbraw/zinc/24/01/97/721240197.db2.gz QBBLNGDYFSWKLO-JKSUJKDBSA-N 1 1 414.470 1.343 20 5 HDBDMO COc1nc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)ccc1[N+](=O)[O-] ZINC001164891556 721393706 /nfs/dbraw/zinc/39/37/06/721393706.db2.gz QKBTWOWWYGBHSC-UZLBHIALSA-N 1 1 405.499 1.764 20 5 HDBDMO C[NH+]1CCN(c2ncnc3c2CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC3)CC1 ZINC001164997632 722229615 /nfs/dbraw/zinc/22/96/15/722229615.db2.gz REINMMRKILZLER-UHFFFAOYSA-N 1 1 403.874 1.790 20 5 HDBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000466662237 1074712226 /nfs/dbraw/zinc/71/22/26/1074712226.db2.gz WUMMOODUPMFSJC-GASCZTMLSA-N 1 1 410.496 1.301 20 5 HDBDMO O=C(NCCNc1ncnc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000539383260 1074745556 /nfs/dbraw/zinc/74/55/56/1074745556.db2.gz CCXTZOHJHZNDQZ-GOSISDBHSA-N 1 1 414.466 1.710 20 5 HDBDMO Cc1ccc(NCCCNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[nH+]c1 ZINC000531011597 1075300873 /nfs/dbraw/zinc/30/08/73/1075300873.db2.gz RZJBKAAOCDKWLF-UHFFFAOYSA-N 1 1 421.479 1.585 20 5 HDBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)cn1 ZINC000731877887 1075550161 /nfs/dbraw/zinc/55/01/61/1075550161.db2.gz VPUBVAPERUNVEX-OAHLLOKOSA-N 1 1 424.417 1.998 20 5 HDBDMO O=C([C@H]1CCC[N@@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1)N1CCCC1 ZINC000732189196 1075654954 /nfs/dbraw/zinc/65/49/54/1075654954.db2.gz BOLROPWVPRAKKE-HNNXBMFYSA-N 1 1 415.450 1.655 20 5 HDBDMO O=C([C@H]1CCC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1)N1CCCC1 ZINC000732189196 1075654958 /nfs/dbraw/zinc/65/49/58/1075654958.db2.gz BOLROPWVPRAKKE-HNNXBMFYSA-N 1 1 415.450 1.655 20 5 HDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000611244208 1075885288 /nfs/dbraw/zinc/88/52/88/1075885288.db2.gz JLFQXOXQQIRWCO-QGZVFWFLSA-N 1 1 419.482 1.346 20 5 HDBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000611244208 1075885295 /nfs/dbraw/zinc/88/52/95/1075885295.db2.gz JLFQXOXQQIRWCO-QGZVFWFLSA-N 1 1 419.482 1.346 20 5 HDBDMO Cc1nnc(CN2CC[NH+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC2)[nH]1 ZINC000611431236 1075930464 /nfs/dbraw/zinc/93/04/64/1075930464.db2.gz CQMGRYOITHWGHI-UHFFFAOYSA-N 1 1 401.427 1.137 20 5 HDBDMO CC(C)(CO)[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000611516195 1075953176 /nfs/dbraw/zinc/95/31/76/1075953176.db2.gz ZIQQXQPQUDAFBT-CYBMUJFWSA-N 1 1 410.496 1.176 20 5 HDBDMO NC(=O)CC[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000727158640 1076071227 /nfs/dbraw/zinc/07/12/27/1076071227.db2.gz WFXUTDWCAPTUDP-MRXNPFEDSA-N 1 1 403.483 1.221 20 5 HDBDMO COC(=O)[C@@H]1CC12CC[NH+](CN1C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C1=O)CC2 ZINC000733792100 1076199728 /nfs/dbraw/zinc/19/97/28/1076199728.db2.gz KQVGAVZVKBNHKR-KXBFYZLASA-N 1 1 416.434 1.594 20 5 HDBDMO O=C(C[N@H+]1CCC[C@H](C2OCCO2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000728054845 1076321588 /nfs/dbraw/zinc/32/15/88/1076321588.db2.gz DAXVFVZWRZGTHN-INIZCTEOSA-N 1 1 404.467 1.328 20 5 HDBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nccc(C(=O)OC)c1[N+](=O)[O-])C2 ZINC001164807339 720128477 /nfs/dbraw/zinc/12/84/77/720128477.db2.gz BYXWZQBQHITMJY-MGPUTAFESA-N 1 1 404.467 1.961 20 5 HDBDMO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164738309 720660140 /nfs/dbraw/zinc/66/01/40/720660140.db2.gz IUTPAJBEFBDSCZ-ZJUUUORDSA-N 1 1 412.237 1.824 20 5 HDBDMO COc1nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001164863560 721086242 /nfs/dbraw/zinc/08/62/42/721086242.db2.gz CWSPKQJNFJUESA-CABCVRRESA-N 1 1 416.438 1.277 20 5 HDBDMO COC(=O)c1ccnc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC001164764339 721148720 /nfs/dbraw/zinc/14/87/20/721148720.db2.gz HSXULZYDVDBKLE-CABCVRRESA-N 1 1 400.439 1.468 20 5 HDBDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncc([N+](=O)[O-])cc4[N+](=O)[O-])C3)O2)CC1 ZINC001164886783 721397808 /nfs/dbraw/zinc/39/78/08/721397808.db2.gz GGUJVCQGTJIZCB-QFBILLFUSA-N 1 1 420.470 1.663 20 5 HDBDMO COc1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164984287 722099303 /nfs/dbraw/zinc/09/93/03/722099303.db2.gz SBWATHOUESSCDS-NVXWUHKLSA-N 1 1 400.439 1.516 20 5 HDBDMO C[NH+]1CCN(c2ncnc3c2CCN(c2cc(Cl)cc([N+](=O)[O-])n2)CC3)CC1 ZINC001164997714 722232412 /nfs/dbraw/zinc/23/24/12/722232412.db2.gz UDGHLCZIIIWFKV-UHFFFAOYSA-N 1 1 403.874 1.790 20 5 HDBDMO C[C@H](C(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1F ZINC000543526791 1074012648 /nfs/dbraw/zinc/01/26/48/1074012648.db2.gz IQPDQVLCZINDKS-GXTWGEPZSA-N 1 1 401.460 1.415 20 5 HDBDMO CN1CCN(C(=O)CC2CC[NH+](Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)CC1 ZINC000731355625 1075319382 /nfs/dbraw/zinc/31/93/82/1075319382.db2.gz CXTKJYFWKPXCST-UHFFFAOYSA-N 1 1 400.483 1.778 20 5 HDBDMO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000611151262 1075862899 /nfs/dbraw/zinc/86/28/99/1075862899.db2.gz USBHHXABMCTBFR-MRXNPFEDSA-N 1 1 401.467 1.141 20 5 HDBDMO CC(C)N1CC[NH+](C2CCN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)CC2)CC1 ZINC000611177016 1075869487 /nfs/dbraw/zinc/86/94/87/1075869487.db2.gz XZKIXEDUJXUBAC-UHFFFAOYSA-N 1 1 418.494 1.997 20 5 HDBDMO COc1ccc(NC(=O)[C@@H](C)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000611244240 1075885273 /nfs/dbraw/zinc/88/52/73/1075885273.db2.gz MOCPVLOMGJHDNU-DYVFJYSZSA-N 1 1 419.482 1.345 20 5 HDBDMO COc1ccc(NC(=O)[C@@H](C)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000611244239 1075885378 /nfs/dbraw/zinc/88/53/78/1075885378.db2.gz MOCPVLOMGJHDNU-CXAGYDPISA-N 1 1 419.482 1.345 20 5 HDBDMO CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)C2)CC1 ZINC000611462365 1075936643 /nfs/dbraw/zinc/93/66/43/1075936643.db2.gz QWVJCSFTUHPWSW-MRXNPFEDSA-N 1 1 417.510 1.330 20 5 HDBDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)C2)CC1 ZINC000611462365 1075936647 /nfs/dbraw/zinc/93/66/47/1075936647.db2.gz QWVJCSFTUHPWSW-MRXNPFEDSA-N 1 1 417.510 1.330 20 5 HDBDMO O=C1CNC(=O)N1CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000727438041 1076120619 /nfs/dbraw/zinc/12/06/19/1076120619.db2.gz NYDKLPKPMTVBKF-UHFFFAOYSA-N 1 1 415.372 1.678 20 5 HDBDMO O=C(C[N@H+]1CCC[C@@H](C2OCCO2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000728054849 1076321509 /nfs/dbraw/zinc/32/15/09/1076321509.db2.gz DAXVFVZWRZGTHN-MRXNPFEDSA-N 1 1 404.467 1.328 20 5 HDBDMO Cc1c(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000728072929 1076332929 /nfs/dbraw/zinc/33/29/29/1076332929.db2.gz MZARTVLZJAVBMZ-HNNXBMFYSA-N 1 1 421.454 1.792 20 5 HDBDMO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000731033954 1076715634 /nfs/dbraw/zinc/71/56/34/1076715634.db2.gz KQOFYKNIOUULAN-GFCCVEGCSA-N 1 1 422.301 1.746 20 5 HDBDMO COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000731033954 1076715639 /nfs/dbraw/zinc/71/56/39/1076715639.db2.gz KQOFYKNIOUULAN-GFCCVEGCSA-N 1 1 422.301 1.746 20 5 HDBDMO