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DCBDMM CC[C@@H](CCO)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820901576 606719528 /nfs/dbraw/zinc/71/95/28/606719528.db2.gz CJPPJASFPKUCBF-QMMMGPOBSA-N -1 1 307.314 0.990 20 5 DCBDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccc([N+](=O)[O-])cn2)n1 ZINC000822620188 606811693 /nfs/dbraw/zinc/81/16/93/606811693.db2.gz KTPYHAUAAMJGTM-UHFFFAOYSA-N -1 1 315.253 0.156 20 5 DCBDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccc([N+](=O)[O-])cn2)n1 ZINC000822620188 606811694 /nfs/dbraw/zinc/81/16/94/606811694.db2.gz KTPYHAUAAMJGTM-UHFFFAOYSA-N -1 1 315.253 0.156 20 5 DCBDMM CCN(CC)C(=O)C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000742282026 667787900 /nfs/dbraw/zinc/78/79/00/667787900.db2.gz JWUFZUXLKSNMIW-UHFFFAOYSA-N -1 1 316.339 0.137 20 5 DCBDMM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NN1CC(=O)[N-]C1=O ZINC000765373178 668486124 /nfs/dbraw/zinc/48/61/24/668486124.db2.gz XGCSEKMNBCGBIK-SNVBAGLBSA-N -1 1 320.305 0.747 20 5 DCBDMM Cn1[n-]c(COC(=O)CCOc2ccccc2[N+](=O)[O-])nc1=O ZINC000765464328 668493908 /nfs/dbraw/zinc/49/39/08/668493908.db2.gz RKQBREPSKUELMK-UHFFFAOYSA-N -1 1 322.277 0.529 20 5 DCBDMM C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1nncn1C ZINC000768807113 668622332 /nfs/dbraw/zinc/62/23/32/668622332.db2.gz IBWWGAOIOJWKHA-ZCFIWIBFSA-N -1 1 317.352 0.824 20 5 DCBDMM CCS(=O)(=O)NCCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780075351 668964788 /nfs/dbraw/zinc/96/47/88/668964788.db2.gz NWMKUPNRBVHNEW-UHFFFAOYSA-N -1 1 318.307 0.397 20 5 DCBDMM O=[N+]([O-])c1ccc([C@@H](O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000826498405 671489434 /nfs/dbraw/zinc/48/94/34/671489434.db2.gz SQWXDSVHYYUNJV-VIFPVBQESA-N -1 1 302.254 0.100 20 5 DCBDMM CCOc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842327131 672005884 /nfs/dbraw/zinc/00/58/84/672005884.db2.gz CGXMVSNFCIIIKX-RKDXNWHRSA-N -1 1 314.319 0.555 20 5 DCBDMM O=C([N-]S(=O)(=O)CCCC(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000842331930 672006432 /nfs/dbraw/zinc/00/64/32/672006432.db2.gz OTTSNEYUQRQFLK-PHDIDXHHSA-N -1 1 304.246 0.440 20 5 DCBDMM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC2[N+](=O)[O-])cc(C)c1F ZINC000842343350 672006745 /nfs/dbraw/zinc/00/67/45/672006745.db2.gz MLZQXVZBELEEDS-NXEZZACHSA-N -1 1 316.310 0.913 20 5 DCBDMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cc([N+](=O)[O-])ccc1F ZINC001582631044 1166055018 /nfs/dbraw/zinc/05/50/18/1166055018.db2.gz YUUBONADFUNFLK-UHFFFAOYSA-N -1 1 318.228 0.889 20 5 DCBDMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cc([N+](=O)[O-])ccc1F ZINC001582631044 1166055023 /nfs/dbraw/zinc/05/50/23/1166055023.db2.gz YUUBONADFUNFLK-UHFFFAOYSA-N -1 1 318.228 0.889 20 5 DCBDMM CC(=O)N[C@H]1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001588841524 1166604953 /nfs/dbraw/zinc/60/49/53/1166604953.db2.gz KXFGCRUTOBFMHU-VIFPVBQESA-N -1 1 317.309 0.490 20 5 DCBDMM CC(=O)N[C@H]1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001588841524 1166604957 /nfs/dbraw/zinc/60/49/57/1166604957.db2.gz KXFGCRUTOBFMHU-VIFPVBQESA-N -1 1 317.309 0.490 20 5 DCBDMM CC(C)[C@H](O)CNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001589479990 1166662088 /nfs/dbraw/zinc/66/20/88/1166662088.db2.gz IIJYSQVLAXYSMD-SNVBAGLBSA-N -1 1 307.314 0.786 20 5 DCBDMM CC(C)[C@H](O)CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001589479990 1166662092 /nfs/dbraw/zinc/66/20/92/1166662092.db2.gz IIJYSQVLAXYSMD-SNVBAGLBSA-N -1 1 307.314 0.786 20 5 DCBDMM CC(C)OCCON=c1[n-]cc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001589748641 1166681703 /nfs/dbraw/zinc/68/17/03/1166681703.db2.gz HLSHDYARPWYBOC-UHFFFAOYSA-N -1 1 309.286 0.938 20 5 DCBDMM CC1=NO[C@@H](CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001590162815 1166792551 /nfs/dbraw/zinc/79/25/51/1166792551.db2.gz OUIQSFLVAQMKKO-SSDOTTSWSA-N -1 1 304.270 0.747 20 5 DCBDMM CC1=NO[C@@H](CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001590162815 1166792560 /nfs/dbraw/zinc/79/25/60/1166792560.db2.gz OUIQSFLVAQMKKO-SSDOTTSWSA-N -1 1 304.270 0.747 20 5 DCBDMM C[C@@H]1C[C@@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CO1 ZINC001590206250 1166813510 /nfs/dbraw/zinc/81/35/10/1166813510.db2.gz GZAKEPRWCJUYRK-HTRCEHHLSA-N -1 1 305.298 0.946 20 5 DCBDMM C[C@@H]1C[C@@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CO1 ZINC001590206250 1166813527 /nfs/dbraw/zinc/81/35/27/1166813527.db2.gz GZAKEPRWCJUYRK-HTRCEHHLSA-N -1 1 305.298 0.946 20 5 DCBDMM CC1CCN(C(=O)Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)CC1 ZINC001590264410 1166829247 /nfs/dbraw/zinc/82/92/47/1166829247.db2.gz QJHYSJZWGJPNKY-UHFFFAOYSA-N -1 1 320.313 0.230 20 5 DCBDMM CCC(CC)NC(=O)[C@H](C)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001590435910 1166906088 /nfs/dbraw/zinc/90/60/88/1166906088.db2.gz RJDDUGOHDIAPSY-ZETCQYMHSA-N -1 1 322.329 0.837 20 5 DCBDMM CCCCCNC(=O)Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001590599239 1166949199 /nfs/dbraw/zinc/94/91/99/1166949199.db2.gz UHBQZVALDKEDSV-UHFFFAOYSA-N -1 1 308.302 0.278 20 5 DCBDMM CCN1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1=O ZINC001590736618 1166995366 /nfs/dbraw/zinc/99/53/66/1166995366.db2.gz SSPWVTSKISVVQB-UHFFFAOYSA-N -1 1 317.309 0.443 20 5 DCBDMM CCN1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1=O ZINC001590736618 1166995372 /nfs/dbraw/zinc/99/53/72/1166995372.db2.gz SSPWVTSKISVVQB-UHFFFAOYSA-N -1 1 317.309 0.443 20 5 DCBDMM CCn1nncc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001590972509 1167063367 /nfs/dbraw/zinc/06/33/67/1167063367.db2.gz ZLZNUPRTYQQUIX-UHFFFAOYSA-N -1 1 316.285 0.393 20 5 DCBDMM CCn1nncc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001590972509 1167063375 /nfs/dbraw/zinc/06/33/75/1167063375.db2.gz ZLZNUPRTYQQUIX-UHFFFAOYSA-N -1 1 316.285 0.393 20 5 DCBDMM CN(C[C@H](O)C1CC1)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591044442 1167091458 /nfs/dbraw/zinc/09/14/58/1167091458.db2.gz OQLIAWHGADDBKM-LBPRGKRZSA-N -1 1 304.310 0.982 20 5 DCBDMM CN1CC[C@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1=O ZINC001591181379 1167131719 /nfs/dbraw/zinc/13/17/19/1167131719.db2.gz VROHYZRMCTXCEI-QMMMGPOBSA-N -1 1 317.309 0.808 20 5 DCBDMM CN1CC[C@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1=O ZINC001591181379 1167131722 /nfs/dbraw/zinc/13/17/22/1167131722.db2.gz VROHYZRMCTXCEI-QMMMGPOBSA-N -1 1 317.309 0.808 20 5 DCBDMM CNC(=O)CSc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001591208821 1167156870 /nfs/dbraw/zinc/15/68/70/1167156870.db2.gz UMFKZXVFLWUCAL-UHFFFAOYSA-N -1 1 300.325 0.675 20 5 DCBDMM CNC(=O)CSc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001591208821 1167156874 /nfs/dbraw/zinc/15/68/74/1167156874.db2.gz UMFKZXVFLWUCAL-UHFFFAOYSA-N -1 1 300.325 0.675 20 5 DCBDMM CO[C@@H]1CC[C@H]1N(C)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591353009 1167231074 /nfs/dbraw/zinc/23/10/74/1167231074.db2.gz FAPQFXGNTXVYOB-RKDXNWHRSA-N -1 1 305.298 0.784 20 5 DCBDMM CO[C@@H]1CC[C@H]1N(C)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591353009 1167231079 /nfs/dbraw/zinc/23/10/79/1167231079.db2.gz FAPQFXGNTXVYOB-RKDXNWHRSA-N -1 1 305.298 0.784 20 5 DCBDMM Cc1cc(N[C@@H](C)CC(N)=O)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592034914 1167442236 /nfs/dbraw/zinc/44/22/36/1167442236.db2.gz TUYGLBACILBXPH-ZETCQYMHSA-N -1 1 305.298 0.759 20 5 DCBDMM Cc1cc(N[C@@H](C)CC(N)=O)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592034914 1167442241 /nfs/dbraw/zinc/44/22/41/1167442241.db2.gz TUYGLBACILBXPH-ZETCQYMHSA-N -1 1 305.298 0.759 20 5 DCBDMM Cn1cnc(CNc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)n1 ZINC001592587708 1167573137 /nfs/dbraw/zinc/57/31/37/1167573137.db2.gz LYWZTWUNUGOXOS-UHFFFAOYSA-N -1 1 316.285 0.098 20 5 DCBDMM Cn1cnc(CNc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)n1 ZINC001592587708 1167573145 /nfs/dbraw/zinc/57/31/45/1167573145.db2.gz LYWZTWUNUGOXOS-UHFFFAOYSA-N -1 1 316.285 0.098 20 5 DCBDMM Cn1ncc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)n1 ZINC001592601049 1167578849 /nfs/dbraw/zinc/57/88/49/1167578849.db2.gz DYOFHXUEGYGMAI-UHFFFAOYSA-N -1 1 301.270 0.516 20 5 DCBDMM Nc1cc(N2CC[C@H](CO)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759874 1167635980 /nfs/dbraw/zinc/63/59/80/1167635980.db2.gz JBQCORYUIAUSGH-ZETCQYMHSA-N -1 1 305.298 0.176 20 5 DCBDMM Nc1cc(N2CC[C@H](CO)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759874 1167635982 /nfs/dbraw/zinc/63/59/82/1167635982.db2.gz JBQCORYUIAUSGH-ZETCQYMHSA-N -1 1 305.298 0.176 20 5 DCBDMM O=C(NCCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])C1CC1 ZINC001593092816 1167706275 /nfs/dbraw/zinc/70/62/75/1167706275.db2.gz VFFHRXLQXGRJON-UHFFFAOYSA-N -1 1 317.309 0.713 20 5 DCBDMM O=C(NCCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])C1CC1 ZINC001593092816 1167706280 /nfs/dbraw/zinc/70/62/80/1167706280.db2.gz VFFHRXLQXGRJON-UHFFFAOYSA-N -1 1 317.309 0.713 20 5 DCBDMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001593197188 1167734496 /nfs/dbraw/zinc/73/44/96/1167734496.db2.gz GKPJCNMCNNXXQI-UHFFFAOYSA-N -1 1 318.228 0.889 20 5 DCBDMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001593197188 1167734503 /nfs/dbraw/zinc/73/45/03/1167734503.db2.gz GKPJCNMCNNXXQI-UHFFFAOYSA-N -1 1 318.228 0.889 20 5 DCBDMM O=[N+]([O-])c1c(NC[C@]2(O)CCOC2)cccc1-c1nnn[n-]1 ZINC001593466010 1167853674 /nfs/dbraw/zinc/85/36/74/1167853674.db2.gz UFGLKBJANDRMHW-GFCCVEGCSA-N -1 1 306.282 0.338 20 5 DCBDMM O=[N+]([O-])c1c(NC[C@]2(O)CCOC2)cccc1-c1nn[n-]n1 ZINC001593466010 1167853682 /nfs/dbraw/zinc/85/36/82/1167853682.db2.gz UFGLKBJANDRMHW-GFCCVEGCSA-N -1 1 306.282 0.338 20 5 DCBDMM O=[N+]([O-])c1cc(N2CCn3ncnc3C2)ccc1-c1nn[n-]n1 ZINC001593470630 1167864615 /nfs/dbraw/zinc/86/46/15/1167864615.db2.gz GRBJBAMBJGXPGO-UHFFFAOYSA-N -1 1 313.281 0.387 20 5 DCBDMM COC[C@H](NC(=O)Cc1cccc(F)c1[N+](=O)[O-])c1nn[n-]n1 ZINC001595888847 1167979602 /nfs/dbraw/zinc/97/96/02/1167979602.db2.gz HPWZVTUIVLXVJV-VIFPVBQESA-N -1 1 324.272 0.293 20 5 DCBDMM Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCO[C@H]1C(=O)[O-] ZINC001600305093 1168163684 /nfs/dbraw/zinc/16/36/84/1168163684.db2.gz IVMFAWZPWVIQBE-WCQYABFASA-N -1 1 323.305 0.673 20 5 DCBDMM CC(C)CNC(=O)CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001603295405 1169288904 /nfs/dbraw/zinc/28/89/04/1169288904.db2.gz VLKPMZITFSYBMR-UHFFFAOYSA-N -1 1 319.325 0.959 20 5 DCBDMM CC(C)CNC(=O)CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001603295405 1169288911 /nfs/dbraw/zinc/28/89/11/1169288911.db2.gz VLKPMZITFSYBMR-UHFFFAOYSA-N -1 1 319.325 0.959 20 5 DCBDMM C[C@]1(C(N)=O)CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001603754677 1169378982 /nfs/dbraw/zinc/37/89/82/1169378982.db2.gz FIKXXNJIVRVDIW-ZDUSSCGKSA-N -1 1 317.309 0.477 20 5 DCBDMM C[C@]1(C(N)=O)CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001603754677 1169378990 /nfs/dbraw/zinc/37/89/90/1169378990.db2.gz FIKXXNJIVRVDIW-ZDUSSCGKSA-N -1 1 317.309 0.477 20 5 DCBDMM CC1(C)CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@H]1O ZINC001603786537 1169392698 /nfs/dbraw/zinc/39/26/98/1169392698.db2.gz DAORAWRZUHJBRT-SNVBAGLBSA-N -1 1 304.310 0.982 20 5 DCBDMM CC1(C)CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@H]1O ZINC001603786537 1169392705 /nfs/dbraw/zinc/39/27/05/1169392705.db2.gz DAORAWRZUHJBRT-SNVBAGLBSA-N -1 1 304.310 0.982 20 5 DCBDMM CC[C@@H](C)NC(=O)[C@H](C)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001604006548 1169471335 /nfs/dbraw/zinc/47/13/35/1169471335.db2.gz FVQUHYGOTIAFRR-RQJHMYQMSA-N -1 1 308.302 0.447 20 5 DCBDMM CCn1ncnc1CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001604624585 1169635811 /nfs/dbraw/zinc/63/58/11/1169635811.db2.gz ZMCFDIUEWOFXHD-UHFFFAOYSA-N -1 1 315.297 0.998 20 5 DCBDMM CCn1ncnc1CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001604624585 1169635813 /nfs/dbraw/zinc/63/58/13/1169635813.db2.gz ZMCFDIUEWOFXHD-UHFFFAOYSA-N -1 1 315.297 0.998 20 5 DCBDMM CN(C[C@@H]1COCCO1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001604736050 1169666205 /nfs/dbraw/zinc/66/62/05/1169666205.db2.gz KWTWJOPEARCCAE-MRVPVSSYSA-N -1 1 321.297 0.022 20 5 DCBDMM CN(C[C@@H]1COCCO1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001604736050 1169666212 /nfs/dbraw/zinc/66/62/12/1169666212.db2.gz KWTWJOPEARCCAE-MRVPVSSYSA-N -1 1 321.297 0.022 20 5 DCBDMM COCC(COC)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001605057271 1169799782 /nfs/dbraw/zinc/79/97/82/1169799782.db2.gz XDBOEFNZGLRXOR-UHFFFAOYSA-N -1 1 308.298 0.848 20 5 DCBDMM CCc1[nH]nc(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC001605775330 1169999406 /nfs/dbraw/zinc/99/94/06/1169999406.db2.gz GFWYPXVRDFIZHA-FSPLSTOPSA-N -1 1 300.246 0.518 20 5 DCBDMM O=[N+]([O-])c1ccccc1OCCn1cc(-c2nn[n-]n2)nn1 ZINC001607085602 1170383995 /nfs/dbraw/zinc/38/39/95/1170383995.db2.gz XRNLUBKPDVALFF-UHFFFAOYSA-N -1 1 302.254 0.445 20 5 DCBDMM O=C([O-])c1cn([C@H]2CCN(CCn3cc([N+](=O)[O-])cn3)C2)nn1 ZINC001608961573 1170775673 /nfs/dbraw/zinc/77/56/73/1170775673.db2.gz QKMSYPCLAVGLSF-VIFPVBQESA-N -1 1 321.297 0.028 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCO[C@@H](C2CC2)C1 ZINC001609599500 1171036170 /nfs/dbraw/zinc/03/61/70/1171036170.db2.gz HFBINYSITWSHJD-SNVBAGLBSA-N -1 1 317.309 0.785 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCO[C@@H](C2CC2)C1 ZINC001609599500 1171036178 /nfs/dbraw/zinc/03/61/78/1171036178.db2.gz HFBINYSITWSHJD-SNVBAGLBSA-N -1 1 317.309 0.785 20 5 DCBDMM CN1CCN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H](C(=O)[O-])C1 ZINC001610136726 1171170115 /nfs/dbraw/zinc/17/01/15/1171170115.db2.gz NGVNNRBAHSJGSA-SECBINFHSA-N -1 1 313.335 0.745 20 5 DCBDMM O=C(NC[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cc([N+](=O)[O-])c[n-]c1=O 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/nfs/dbraw/zinc/16/05/79/288160579.db2.gz DCACFYXSYHECEL-BDAKNGLRSA-N -1 1 301.324 0.428 20 5 DCBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCOC[C@]12CCOC2 ZINC000282090963 304591008 /nfs/dbraw/zinc/59/10/08/304591008.db2.gz FBPJVOUPWAOVPS-CYBMUJFWSA-N -1 1 309.278 0.327 20 5 DCBDMM C[C@H](CCO)CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000583066044 337235025 /nfs/dbraw/zinc/23/50/25/337235025.db2.gz PXOICZNDEZETKU-VIFPVBQESA-N -1 1 303.340 0.677 20 5 DCBDMM C[C@@H](CO[C@H]1CCOC1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000267844028 524822301 /nfs/dbraw/zinc/82/23/01/524822301.db2.gz CGEAOMDSEQXEHO-WPRPVWTQSA-N -1 1 311.294 0.619 20 5 DCBDMM CC(C)CN1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1=O ZINC000275527230 535102231 /nfs/dbraw/zinc/10/22/31/535102231.db2.gz RDZWSMINUIAFEK-UHFFFAOYSA-N -1 1 322.321 0.636 20 5 DCBDMM COCCN(CCC(=O)[O-])C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000737797202 600633940 /nfs/dbraw/zinc/63/39/40/600633940.db2.gz FVTHKKJBEMVSGM-UHFFFAOYSA-N -1 1 300.271 0.190 20 5 DCBDMM CN(Cc1nnc[nH]1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000737497184 600681107 /nfs/dbraw/zinc/68/11/07/600681107.db2.gz ZXEYVDWZROUNNW-UHFFFAOYSA-N -1 1 305.250 0.683 20 5 DCBDMM CCCc1[nH]nc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000829550858 601715496 /nfs/dbraw/zinc/71/54/96/601715496.db2.gz YUXFEJQQTCCXBD-GFCCVEGCSA-N -1 1 314.273 0.909 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1CCC[C@H](O)C1 ZINC000823620690 606700138 /nfs/dbraw/zinc/70/01/38/606700138.db2.gz OGWLVYCYDMRIEY-YUMQZZPRSA-N -1 1 305.298 0.885 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1CCC[C@H](O)C1 ZINC000823620690 606700139 /nfs/dbraw/zinc/70/01/39/606700139.db2.gz OGWLVYCYDMRIEY-YUMQZZPRSA-N -1 1 305.298 0.885 20 5 DCBDMM COC[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC000821685002 606712307 /nfs/dbraw/zinc/71/23/07/606712307.db2.gz QSFLOXOTIJOKCT-QMMMGPOBSA-N -1 1 321.297 0.022 20 5 DCBDMM COC[C@@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC000821685002 606712308 /nfs/dbraw/zinc/71/23/08/606712308.db2.gz QSFLOXOTIJOKCT-QMMMGPOBSA-N -1 1 321.297 0.022 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@]2(CCOC2)C1 ZINC000823620908 606720825 /nfs/dbraw/zinc/72/08/25/606720825.db2.gz SJKUATLPSXUVDR-ZDUSSCGKSA-N -1 1 317.309 0.787 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@]2(CCOC2)C1 ZINC000823620908 606720827 /nfs/dbraw/zinc/72/08/27/606720827.db2.gz SJKUATLPSXUVDR-ZDUSSCGKSA-N -1 1 317.309 0.787 20 5 DCBDMM CC(C)NC(=O)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820131963 607164233 /nfs/dbraw/zinc/16/42/33/607164233.db2.gz HLTKZKGLLRJZTN-UHFFFAOYSA-N -1 1 306.286 0.106 20 5 DCBDMM CC(C)NC(=O)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820131963 607164234 /nfs/dbraw/zinc/16/42/34/607164234.db2.gz HLTKZKGLLRJZTN-UHFFFAOYSA-N -1 1 306.286 0.106 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H](O)c1ccco1 ZINC000823620962 607167976 /nfs/dbraw/zinc/16/79/76/607167976.db2.gz USTWLMLIDABQIO-QMMMGPOBSA-N -1 1 317.265 0.908 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H](O)c1ccco1 ZINC000823620962 607167978 /nfs/dbraw/zinc/16/79/78/607167978.db2.gz USTWLMLIDABQIO-QMMMGPOBSA-N -1 1 317.265 0.908 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC1(CO)CCC1 ZINC000826497298 609606679 /nfs/dbraw/zinc/60/66/79/609606679.db2.gz BOPQTVPBQDNXRF-UHFFFAOYSA-N -1 1 305.298 0.744 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC1(CO)CCC1 ZINC000826497298 609606680 /nfs/dbraw/zinc/60/66/80/609606680.db2.gz BOPQTVPBQDNXRF-UHFFFAOYSA-N -1 1 305.298 0.744 20 5 DCBDMM Cc1c(C(=O)[N-]N2CC(=O)NC2=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000921245532 665291819 /nfs/dbraw/zinc/29/18/19/665291819.db2.gz DSVLMQIPAPTXIK-UHFFFAOYSA-N -1 1 323.221 0.008 20 5 DCBDMM Cn1[n-]c(COC(=O)CNc2ccccc2[N+](=O)[O-])nc1=O ZINC000765460395 668493094 /nfs/dbraw/zinc/49/30/94/668493094.db2.gz VNRYWDJIOAUJSS-UHFFFAOYSA-N -1 1 307.266 0.172 20 5 DCBDMM C[C@@H](OC(=O)c1cn[n-]n1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000805604253 668895679 /nfs/dbraw/zinc/89/56/79/668895679.db2.gz AXSOUCGFZDGXAB-SSDOTTSWSA-N -1 1 305.250 0.897 20 5 DCBDMM C[C@@H](OC(=O)c1cn[n-]n1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000805606690 668899095 /nfs/dbraw/zinc/89/90/95/668899095.db2.gz KLYWIPZWPUYGNY-SSDOTTSWSA-N -1 1 305.250 0.897 20 5 DCBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCO[C@H](C(F)F)C1 ZINC000802638279 670201996 /nfs/dbraw/zinc/20/19/96/670201996.db2.gz IPGODDPTDCAKFP-QMMMGPOBSA-N -1 1 303.221 0.802 20 5 DCBDMM O=C(N[C@H]1CCc2cncn2C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000807684813 670373224 /nfs/dbraw/zinc/37/32/24/670373224.db2.gz HFLHBUUPVNGNBM-QMMMGPOBSA-N -1 1 303.278 0.637 20 5 DCBDMM COC(=O)N(C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000849472045 670808367 /nfs/dbraw/zinc/80/83/67/670808367.db2.gz VKCMVVTWPYZSGL-UHFFFAOYSA-N -1 1 323.352 0.633 20 5 DCBDMM Cc1nc(CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])no1 ZINC000826325554 671483930 /nfs/dbraw/zinc/48/39/30/671483930.db2.gz BZWRKITUMOVYBU-UHFFFAOYSA-N -1 1 317.269 0.498 20 5 DCBDMM Cc1nc(CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])no1 ZINC000826325554 671483931 /nfs/dbraw/zinc/48/39/31/671483931.db2.gz BZWRKITUMOVYBU-UHFFFAOYSA-N -1 1 317.269 0.498 20 5 DCBDMM CCO[N-]C(=O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000846001485 672287452 /nfs/dbraw/zinc/28/74/52/672287452.db2.gz APINGCINBJDDKD-UHFFFAOYSA-N -1 1 321.286 0.080 20 5 DCBDMM CC1(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)CC1 ZINC001575849783 1164171784 /nfs/dbraw/zinc/17/17/84/1164171784.db2.gz WUUIJZCOXPGSDZ-UHFFFAOYSA-N -1 1 324.322 0.606 20 5 DCBDMM CC1(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)CC1 ZINC001575849783 1164171786 /nfs/dbraw/zinc/17/17/86/1164171786.db2.gz WUUIJZCOXPGSDZ-UHFFFAOYSA-N -1 1 324.322 0.606 20 5 DCBDMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC001582649846 1166061086 /nfs/dbraw/zinc/06/10/86/1166061086.db2.gz GTRGXVAODQPCRA-UHFFFAOYSA-N -1 1 300.238 0.750 20 5 DCBDMM C[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)[C@H]1CO ZINC001590274960 1166835862 /nfs/dbraw/zinc/83/58/62/1166835862.db2.gz TXUUYYOBLUQSHF-PELKAZGASA-N -1 1 304.310 0.982 20 5 DCBDMM C[C@H]1CO[C@H](CO)CN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590323673 1166866288 /nfs/dbraw/zinc/86/62/88/1166866288.db2.gz NGOPCERZNJJYNU-WPRPVWTQSA-N -1 1 320.309 0.361 20 5 DCBDMM C[C@@H]1OCC[C@]1(O)CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001590333886 1166871306 /nfs/dbraw/zinc/87/13/06/1166871306.db2.gz LLWKTESVRCPGEL-SDBXPKJASA-N -1 1 320.309 0.727 20 5 DCBDMM C[C@@H]1OCC[C@]1(O)CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001590333886 1166871312 /nfs/dbraw/zinc/87/13/12/1166871312.db2.gz LLWKTESVRCPGEL-SDBXPKJASA-N -1 1 320.309 0.727 20 5 DCBDMM CC[C@H]1C(=O)NCCN1c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590500316 1166926472 /nfs/dbraw/zinc/92/64/72/1166926472.db2.gz QDOZLQIWFUIQAZ-LURJTMIESA-N -1 1 323.338 0.551 20 5 DCBDMM CC[C@H]1C(=O)NCCN1c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590500316 1166926478 /nfs/dbraw/zinc/92/64/78/1166926478.db2.gz QDOZLQIWFUIQAZ-LURJTMIESA-N -1 1 323.338 0.551 20 5 DCBDMM CCCN(CC(N)=O)c1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590622817 1166952651 /nfs/dbraw/zinc/95/26/51/1166952651.db2.gz IKOYDFJIWBESCK-UHFFFAOYSA-N -1 1 319.325 0.785 20 5 DCBDMM CCCN(CC(N)=O)c1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590622817 1166952657 /nfs/dbraw/zinc/95/26/57/1166952657.db2.gz IKOYDFJIWBESCK-UHFFFAOYSA-N -1 1 319.325 0.785 20 5 DCBDMM Cc1cc(NCCn2cnc(-c3nn[n-]n3)n2)ncc1[N+](=O)[O-] ZINC001592051119 1167446249 /nfs/dbraw/zinc/44/62/49/1167446249.db2.gz KBHRWHYRBSZRJW-UHFFFAOYSA-N -1 1 316.285 0.182 20 5 DCBDMM Cn1cc(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])nn1 ZINC001592572990 1167566428 /nfs/dbraw/zinc/56/64/28/1167566428.db2.gz CZSXORGEBWOKJN-UHFFFAOYSA-N -1 1 307.299 0.577 20 5 DCBDMM Cn1cc(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])nn1 ZINC001592572990 1167566433 /nfs/dbraw/zinc/56/64/33/1167566433.db2.gz CZSXORGEBWOKJN-UHFFFAOYSA-N -1 1 307.299 0.577 20 5 DCBDMM Cn1ccc(CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])n1 ZINC001592578840 1167568181 /nfs/dbraw/zinc/56/81/81/1167568181.db2.gz FXJPCAGPXCPUCR-UHFFFAOYSA-N -1 1 315.297 0.558 20 5 DCBDMM Cn1ccc(CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1 ZINC001592578840 1167568184 /nfs/dbraw/zinc/56/81/84/1167568184.db2.gz FXJPCAGPXCPUCR-UHFFFAOYSA-N -1 1 315.297 0.558 20 5 DCBDMM Cn1cnc([N+](=O)[O-])c1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC001592588536 1167572394 /nfs/dbraw/zinc/57/23/94/1167572394.db2.gz FRDRUXRHGMAQKC-UHFFFAOYSA-N -1 1 315.253 0.156 20 5 DCBDMM Cn1cnc([N+](=O)[O-])c1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC001592588536 1167572399 /nfs/dbraw/zinc/57/23/99/1167572399.db2.gz FRDRUXRHGMAQKC-UHFFFAOYSA-N -1 1 315.253 0.156 20 5 DCBDMM Nc1ccnc(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])n1 ZINC001592761078 1167635603 /nfs/dbraw/zinc/63/56/03/1167635603.db2.gz XTWCEJBRACQBRZ-UHFFFAOYSA-N -1 1 319.310 0.821 20 5 DCBDMM Nc1ccnc(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])n1 ZINC001592761078 1167635605 /nfs/dbraw/zinc/63/56/05/1167635605.db2.gz XTWCEJBRACQBRZ-UHFFFAOYSA-N -1 1 319.310 0.821 20 5 DCBDMM Nc1cc(NC[C@@H]2CCC[C@H]2O)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759667 1167635781 /nfs/dbraw/zinc/63/57/81/1167635781.db2.gz GBDSXSBDFKOFLS-WRWORJQWSA-N -1 1 319.325 0.930 20 5 DCBDMM Nc1cc(NC[C@@H]2CCC[C@H]2O)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759667 1167635783 /nfs/dbraw/zinc/63/57/83/1167635783.db2.gz GBDSXSBDFKOFLS-WRWORJQWSA-N -1 1 319.325 0.930 20 5 DCBDMM O=C(Cc1ccccc1)Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001592922676 1167664605 /nfs/dbraw/zinc/66/46/05/1167664605.db2.gz CUXZTPKYOSDIPT-UHFFFAOYSA-N -1 1 313.277 0.783 20 5 DCBDMM O=C([O-])[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC001601455258 1168754263 /nfs/dbraw/zinc/75/42/63/1168754263.db2.gz PBBOQSJYYQFYGM-SECBINFHSA-N -1 1 304.262 0.916 20 5 DCBDMM O=C([O-])[C@@H]1[C@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1(F)F ZINC001601529526 1168778467 /nfs/dbraw/zinc/77/84/67/1168778467.db2.gz JRMTVOZSSALSJT-IUCAKERBSA-N -1 1 316.216 0.996 20 5 DCBDMM O=C([O-])CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 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/nfs/dbraw/zinc/00/39/46/397003946.db2.gz ICTBIBHKUFJLIP-VHSXEESVSA-N -1 1 315.351 0.941 20 5 DCBDMM O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000619868328 397200694 /nfs/dbraw/zinc/20/06/94/397200694.db2.gz RKNAFPGKDRKVPH-QMMMGPOBSA-N -1 1 322.281 0.286 20 5 DCBDMM CN1CC[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1=O ZINC000160464728 158354002 /nfs/dbraw/zinc/35/40/02/158354002.db2.gz WTRTUWCQKXWSJI-MRVPVSSYSA-N -1 1 317.298 0.243 20 5 DCBDMM C[C@@H]1OCC[C@]12CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CCO2 ZINC000280196981 415531678 /nfs/dbraw/zinc/53/16/78/415531678.db2.gz WDOBLSDNTOOAFO-XPTSAGLGSA-N -1 1 323.305 0.715 20 5 DCBDMM CC(=O)NC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000343637232 415666587 /nfs/dbraw/zinc/66/65/87/415666587.db2.gz JDNRLLBOXSYQEC-JTQLQIEISA-N -1 1 322.321 0.684 20 5 DCBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCOCC(F)(F)C1 ZINC000290577535 415819888 /nfs/dbraw/zinc/81/98/88/415819888.db2.gz HHNJHLLXIWZGCC-UHFFFAOYSA-N -1 1 303.221 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320.313 0.816 20 5 DCBDMM O=C(N[C@@H]1C[C@@H]2CCCCN2C1=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000457251844 417699183 /nfs/dbraw/zinc/69/91/83/417699183.db2.gz CCEVPLLSJFNQSC-VHSXEESVSA-N -1 1 320.305 0.579 20 5 DCBDMM C[C@@H](Cc1cnn(C)c1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000456430970 417648149 /nfs/dbraw/zinc/64/81/49/417648149.db2.gz FPJPMZCWTQLIME-QMMMGPOBSA-N -1 1 305.294 0.790 20 5 DCBDMM COC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000354582896 261240769 /nfs/dbraw/zinc/24/07/69/261240769.db2.gz SQINAXKKOOOYPP-UHFFFAOYSA-N -1 1 308.699 0.700 20 5 DCBDMM Cc1nnc(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1C ZINC000355185841 261317124 /nfs/dbraw/zinc/31/71/24/261317124.db2.gz SRKHKOUSCGUHLU-UHFFFAOYSA-N -1 1 306.282 0.105 20 5 DCBDMM CC1(C)[C@H](O)C[C@@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000548623307 288160572 /nfs/dbraw/zinc/16/05/72/288160572.db2.gz DCACFYXSYHECEL-DTWKUNHWSA-N -1 1 301.324 0.428 20 5 DCBDMM CN1CCN(C)[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000269271884 290034949 /nfs/dbraw/zinc/03/49/49/290034949.db2.gz NPQVHFUYMROAEX-JTQLQIEISA-N -1 1 308.338 0.276 20 5 DCBDMM COc1cccc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c1[N+](=O)[O-] ZINC000444365421 295282748 /nfs/dbraw/zinc/28/27/48/295282748.db2.gz BORIUQAMSDNUOQ-QMMMGPOBSA-N -1 1 320.309 0.992 20 5 DCBDMM CN(CCC(=O)[O-])CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000818462966 597002502 /nfs/dbraw/zinc/00/25/02/597002502.db2.gz FQCROGKUWOWCLF-UHFFFAOYSA-N -1 1 307.306 0.890 20 5 DCBDMM CN(C)C(=O)CN(C)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000825841273 607449749 /nfs/dbraw/zinc/44/97/49/607449749.db2.gz UPHGCTZVSNBXMS-UHFFFAOYSA-N -1 1 305.298 0.299 20 5 DCBDMM CN(C)C(=O)CN(C)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000825841273 607449751 /nfs/dbraw/zinc/44/97/51/607449751.db2.gz UPHGCTZVSNBXMS-UHFFFAOYSA-N -1 1 305.298 0.299 20 5 DCBDMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])s1 ZINC000823290294 606531665 /nfs/dbraw/zinc/53/16/65/606531665.db2.gz VSCOULMRWOPSJK-UHFFFAOYSA-N -1 1 306.267 0.812 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCn1cccn1 ZINC000823625469 606702678 /nfs/dbraw/zinc/70/26/78/606702678.db2.gz WIWAJLAXAKAGHP-UHFFFAOYSA-N -1 1 301.270 0.479 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCn1cccn1 ZINC000823625469 606702679 /nfs/dbraw/zinc/70/26/79/606702679.db2.gz WIWAJLAXAKAGHP-UHFFFAOYSA-N -1 1 301.270 0.479 20 5 DCBDMM CCOC(=O)[C@H](C)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821315781 606716793 /nfs/dbraw/zinc/71/67/93/606716793.db2.gz XKVYLZHODJAOPU-SSDOTTSWSA-N -1 1 321.297 0.781 20 5 DCBDMM CCOC(=O)[C@H](C)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821315781 606716795 /nfs/dbraw/zinc/71/67/95/606716795.db2.gz XKVYLZHODJAOPU-SSDOTTSWSA-N -1 1 321.297 0.781 20 5 DCBDMM CN(C)C(=O)CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000157123766 658534570 /nfs/dbraw/zinc/53/45/70/658534570.db2.gz OPSCHLNQWRNGGJ-UHFFFAOYSA-N -1 1 319.314 0.491 20 5 DCBDMM O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732091134 664902180 /nfs/dbraw/zinc/90/21/80/664902180.db2.gz SLXBHIVVGNDFFC-SNVBAGLBSA-N -1 1 322.256 0.461 20 5 DCBDMM Cc1c([N+](=O)[O-])cc(C(=O)[N-]N2CC(=O)NC2=O)cc1[N+](=O)[O-] ZINC000921246187 665292087 /nfs/dbraw/zinc/29/20/87/665292087.db2.gz ZLDUFJJSUGFLTN-UHFFFAOYSA-N -1 1 323.221 0.008 20 5 DCBDMM COC(=O)N1CCC[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000770376335 668690345 /nfs/dbraw/zinc/69/03/45/668690345.db2.gz DFHOOFOPFFDEQR-VIFPVBQESA-N -1 1 324.293 0.656 20 5 DCBDMM O=C(N[C@@H]1CCc2cncn2C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000807684811 670373140 /nfs/dbraw/zinc/37/31/40/670373140.db2.gz HFLHBUUPVNGNBM-MRVPVSSYSA-N -1 1 303.278 0.637 20 5 DCBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H](N2CCOC2=O)C1 ZINC000857310835 670909176 /nfs/dbraw/zinc/90/91/76/670909176.db2.gz IDOHTWCSLONRFO-MRVPVSSYSA-N -1 1 322.277 0.362 20 5 DCBDMM CCc1cc(=O)n2[n-]c(NC(=O)CCC(C)(C)[N+](=O)[O-])nc2n1 ZINC000857684436 670939011 /nfs/dbraw/zinc/93/90/11/670939011.db2.gz KSZKQYMWPGXDAH-UHFFFAOYSA-N -1 1 322.325 0.754 20 5 DCBDMM CC[C@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC000820995772 671244003 /nfs/dbraw/zinc/24/40/03/671244003.db2.gz XMNOADSFRHYEFJ-QMMMGPOBSA-N -1 1 305.298 0.785 20 5 DCBDMM CC[C@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC000820995772 671244004 /nfs/dbraw/zinc/24/40/04/671244004.db2.gz XMNOADSFRHYEFJ-QMMMGPOBSA-N -1 1 305.298 0.785 20 5 DCBDMM O=[N+]([O-])c1cnn(CC[N-]S(=O)(=O)c2c[nH]nc2Cl)c1 ZINC000830903155 671645786 /nfs/dbraw/zinc/64/57/86/671645786.db2.gz CJELLNQKRIDKKT-UHFFFAOYSA-N -1 1 320.718 0.146 20 5 DCBDMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1Cc1ccc([N+](=O)[O-])cc1 ZINC001582806488 1166085708 /nfs/dbraw/zinc/08/57/08/1166085708.db2.gz LAFAMGLXYCFSKK-UHFFFAOYSA-N -1 1 315.249 0.086 20 5 DCBDMM CC(=O)N[C@@H]1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001588841523 1166605480 /nfs/dbraw/zinc/60/54/80/1166605480.db2.gz KXFGCRUTOBFMHU-SECBINFHSA-N -1 1 317.309 0.490 20 5 DCBDMM CC(=O)N[C@@H]1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001588841523 1166605481 /nfs/dbraw/zinc/60/54/81/1166605481.db2.gz KXFGCRUTOBFMHU-SECBINFHSA-N -1 1 317.309 0.490 20 5 DCBDMM C[C@@H](CCO)CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001589834293 1166695547 /nfs/dbraw/zinc/69/55/47/1166695547.db2.gz KTGYUDVWEDTRHK-MRVPVSSYSA-N -1 1 307.314 0.990 20 5 DCBDMM C[C@@H](CCO)CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001589834293 1166695552 /nfs/dbraw/zinc/69/55/52/1166695552.db2.gz KTGYUDVWEDTRHK-MRVPVSSYSA-N -1 1 307.314 0.990 20 5 DCBDMM CC(CO)(CO)CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001589881275 1166706031 /nfs/dbraw/zinc/70/60/31/1166706031.db2.gz IWSZMXWMBVJCSW-UHFFFAOYSA-N -1 1 308.298 0.178 20 5 DCBDMM CC1(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])OCCCO1 ZINC001590134617 1166784097 /nfs/dbraw/zinc/78/40/97/1166784097.db2.gz BJNKWSKZRFNLTJ-UHFFFAOYSA-N -1 1 321.297 0.735 20 5 DCBDMM CC1(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])OCCCO1 ZINC001590134617 1166784101 /nfs/dbraw/zinc/78/41/01/1166784101.db2.gz BJNKWSKZRFNLTJ-UHFFFAOYSA-N -1 1 321.297 0.735 20 5 DCBDMM C[C@H]1C(=O)NCCN1c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590164121 1166796430 /nfs/dbraw/zinc/79/64/30/1166796430.db2.gz ATIAKDNWOVSADD-YFKPBYRVSA-N -1 1 309.311 0.161 20 5 DCBDMM C[C@H]1C(=O)NCCN1c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590164121 1166796433 /nfs/dbraw/zinc/79/64/33/1166796433.db2.gz ATIAKDNWOVSADD-YFKPBYRVSA-N -1 1 309.311 0.161 20 5 DCBDMM C[C@H]1OCC[C@@]1(O)CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590333537 1166870885 /nfs/dbraw/zinc/87/08/85/1166870885.db2.gz HQWYIRCKGFAMLF-AMIZOPFISA-N -1 1 320.309 0.727 20 5 DCBDMM CC[C@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])C(=O)NC ZINC001590471698 1166916876 /nfs/dbraw/zinc/91/68/76/1166916876.db2.gz LWNSERSKRRWWNV-YFKPBYRVSA-N -1 1 311.327 0.773 20 5 DCBDMM CC[C@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])C(=O)NC ZINC001590471698 1166916881 /nfs/dbraw/zinc/91/68/81/1166916881.db2.gz LWNSERSKRRWWNV-YFKPBYRVSA-N -1 1 311.327 0.773 20 5 DCBDMM CC[C@H]1C(=O)NCCN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590499081 1166925593 /nfs/dbraw/zinc/92/55/93/1166925593.db2.gz INOJABMLCLSGRZ-JTQLQIEISA-N -1 1 317.309 0.490 20 5 DCBDMM CNC(=O)C[C@@H](C)Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591204476 1167152464 /nfs/dbraw/zinc/15/24/64/1167152464.db2.gz OHFQFZXODHORFP-SSDOTTSWSA-N -1 1 305.298 0.711 20 5 DCBDMM CNC(=O)C[C@@H](C)Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591204476 1167152468 /nfs/dbraw/zinc/15/24/68/1167152468.db2.gz OHFQFZXODHORFP-SSDOTTSWSA-N -1 1 305.298 0.711 20 5 DCBDMM CO[C@H]1CC[C@H]1N(C)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591353006 1167229010 /nfs/dbraw/zinc/22/90/10/1167229010.db2.gz FAPQFXGNTXVYOB-BDAKNGLRSA-N -1 1 305.298 0.784 20 5 DCBDMM CO[C@H]1CC[C@H]1N(C)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591353006 1167229016 /nfs/dbraw/zinc/22/90/16/1167229016.db2.gz FAPQFXGNTXVYOB-BDAKNGLRSA-N -1 1 305.298 0.784 20 5 DCBDMM COC[C@H](CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])OC ZINC001591377022 1167246086 /nfs/dbraw/zinc/24/60/86/1167246086.db2.gz AOVLESHTDYASET-QMMMGPOBSA-N -1 1 308.298 0.848 20 5 DCBDMM COC[C@H](CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])OC ZINC001591377022 1167246090 /nfs/dbraw/zinc/24/60/90/1167246090.db2.gz AOVLESHTDYASET-QMMMGPOBSA-N -1 1 308.298 0.848 20 5 DCBDMM COc1cncc(Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)c1 ZINC001591658656 1167343481 /nfs/dbraw/zinc/34/34/81/1167343481.db2.gz GMPITKBXMRAMMA-UHFFFAOYSA-N -1 1 302.254 0.423 20 5 DCBDMM Cc1c(Cn2cnc(-c3nn[n-]n3)cc2=O)cccc1[N+](=O)[O-] ZINC001591821394 1167388028 /nfs/dbraw/zinc/38/80/28/1167388028.db2.gz FUWVOWUQEMYKDN-UHFFFAOYSA-N -1 1 313.277 0.688 20 5 DCBDMM Cc1sc(C(=O)n2ncc(-c3nn[n-]n3)c2N)cc1[N+](=O)[O-] ZINC001592518380 1167547787 /nfs/dbraw/zinc/54/77/87/1167547787.db2.gz ZYOJOJOPJOXFKO-UHFFFAOYSA-N -1 1 320.294 0.612 20 5 DCBDMM Cn1ncc(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])n1 ZINC001592601038 1167577832 /nfs/dbraw/zinc/57/78/32/1167577832.db2.gz DGZJNJLXAKNWQR-UHFFFAOYSA-N -1 1 301.270 0.516 20 5 DCBDMM Cn1ncc(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1 ZINC001592601038 1167577840 /nfs/dbraw/zinc/57/78/40/1167577840.db2.gz DGZJNJLXAKNWQR-UHFFFAOYSA-N -1 1 301.270 0.516 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CC[C@H](O)[C@@H](F)C1 ZINC001593466919 1167859106 /nfs/dbraw/zinc/85/91/06/1167859106.db2.gz PJZZKXPJFHNUGN-WPRPVWTQSA-N -1 1 308.273 0.684 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CC[C@H](O)[C@@H](F)C1 ZINC001593466919 1167859126 /nfs/dbraw/zinc/85/91/26/1167859126.db2.gz PJZZKXPJFHNUGN-WPRPVWTQSA-N -1 1 308.273 0.684 20 5 DCBDMM O=[N+]([O-])c1cc(NC[C@]2(O)CCOC2)ccc1-c1nn[n-]n1 ZINC001593473381 1167862166 /nfs/dbraw/zinc/86/21/66/1167862166.db2.gz AIOXDWVWDVBAAM-GFCCVEGCSA-N -1 1 306.282 0.338 20 5 DCBDMM O=[N+]([O-])c1cc2ccccc2nc1-n1cnc(-c2nn[n-]n2)n1 ZINC001593475143 1167862738 /nfs/dbraw/zinc/86/27/38/1167862738.db2.gz VLTDFVZOJSUGKO-UHFFFAOYSA-N -1 1 309.249 0.904 20 5 DCBDMM O=c1cc(-c2nn[n-]n2)ncn1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001593495847 1167880524 /nfs/dbraw/zinc/88/05/24/1167880524.db2.gz YHSDPAXCMZNDLA-UHFFFAOYSA-N -1 1 317.240 0.519 20 5 DCBDMM COc1ccc(CNC(=O)CCc2nn[n-]n2)cc1[N+](=O)[O-] ZINC001596970556 1167999478 /nfs/dbraw/zinc/99/94/78/1167999478.db2.gz QDCCHJRKISTLQT-UHFFFAOYSA-N -1 1 306.282 0.366 20 5 DCBDMM O=C([O-])[C@@]1(O)CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC001602630290 1169135484 /nfs/dbraw/zinc/13/54/84/1169135484.db2.gz DIIRWHUKSYCTQU-CYBMUJFWSA-N -1 1 320.261 0.133 20 5 DCBDMM CCC[C@H](C)NC(=O)[C@H](C)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001604137481 1169503208 /nfs/dbraw/zinc/50/32/08/1169503208.db2.gz OHGCHLSHWXBTFC-YUMQZZPRSA-N -1 1 322.329 0.837 20 5 DCBDMM CN1C[C@@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCC1=O ZINC001604846825 1169706934 /nfs/dbraw/zinc/70/69/34/1169706934.db2.gz QXFJGPLHWDVDEU-VIFPVBQESA-N -1 1 317.309 0.808 20 5 DCBDMM CN1CC[C@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1=O ZINC001604855841 1169711007 /nfs/dbraw/zinc/71/10/07/1169711007.db2.gz PDKREJNAAJQNMT-VIFPVBQESA-N -1 1 317.309 0.808 20 5 DCBDMM COC(=O)CC1(Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)CC1 ZINC001604931251 1169750258 /nfs/dbraw/zinc/75/02/58/1169750258.db2.gz YPCSXAWNCVQBQJ-UHFFFAOYSA-N -1 1 307.270 0.315 20 5 DCBDMM CC[C@@](COC)(NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC001605047425 1169795118 /nfs/dbraw/zinc/79/51/18/1169795118.db2.gz BJWQAGSETUKEHO-ZDUSSCGKSA-N -1 1 312.278 0.910 20 5 DCBDMM COCC[C@@H](CO)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001605079245 1169813868 /nfs/dbraw/zinc/81/38/68/1169813868.db2.gz KFSVCNIRWSCAMC-LURJTMIESA-N -1 1 314.327 0.646 20 5 DCBDMM COCC[C@@H](CO)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001605079245 1169813879 /nfs/dbraw/zinc/81/38/79/1169813879.db2.gz KFSVCNIRWSCAMC-LURJTMIESA-N -1 1 314.327 0.646 20 5 DCBDMM CON(C)C(=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001605141193 1169839690 /nfs/dbraw/zinc/83/96/90/1169839690.db2.gz MMSHVFWKVMEPDX-ZETCQYMHSA-N -1 1 321.297 0.595 20 5 DCBDMM NC(=O)CC1(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC001606411374 1170190011 /nfs/dbraw/zinc/19/00/11/1170190011.db2.gz XVTXUXWCFSURTP-UHFFFAOYSA-N -1 1 317.309 0.842 20 5 DCBDMM O=C1CC[C@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCN1 ZINC001607043777 1170364697 /nfs/dbraw/zinc/36/46/97/1170364697.db2.gz JWIQOHCAGYEATN-QMMMGPOBSA-N -1 1 317.309 0.856 20 5 DCBDMM O=C1CC[C@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCN1 ZINC001607043777 1170364705 /nfs/dbraw/zinc/36/47/05/1170364705.db2.gz JWIQOHCAGYEATN-QMMMGPOBSA-N -1 1 317.309 0.856 20 5 DCBDMM CC1(C)CN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCO1 ZINC001609146903 1170826150 /nfs/dbraw/zinc/82/61/50/1170826150.db2.gz ARLRKTWSRAPYRQ-UHFFFAOYSA-N -1 1 319.325 0.972 20 5 DCBDMM CC1(C)CN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCO1 ZINC001609146903 1170826155 /nfs/dbraw/zinc/82/61/55/1170826155.db2.gz ARLRKTWSRAPYRQ-UHFFFAOYSA-N -1 1 319.325 0.972 20 5 DCBDMM C[C@@H]1CN(C)C(=O)CN1c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001609173915 1170846300 /nfs/dbraw/zinc/84/63/00/1170846300.db2.gz SWWOVSDGODPKOI-MRVPVSSYSA-N -1 1 317.309 0.442 20 5 DCBDMM C[C@@H]1CN(C)C(=O)CN1c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001609173915 1170846308 /nfs/dbraw/zinc/84/63/08/1170846308.db2.gz SWWOVSDGODPKOI-MRVPVSSYSA-N -1 1 317.309 0.442 20 5 DCBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2COC(=O)C2)cc1F ZINC001622187717 1171419480 /nfs/dbraw/zinc/41/94/80/1171419480.db2.gz AKYZOKHZRXBUQG-ZETCQYMHSA-N -1 1 318.282 0.636 20 5 DCBDMM CCOC(=O)[C@@H](C)C1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC001641844433 1171929964 /nfs/dbraw/zinc/92/99/64/1171929964.db2.gz YVWGRKCAYFWKSR-QMMMGPOBSA-N -1 1 323.305 0.967 20 5 DCBDMM Cc1n[nH]c(C(=O)NCCNCc2ccccc2[N+](=O)[O-])c1[O-] ZINC001125734623 747543333 /nfs/dbraw/zinc/54/33/33/747543333.db2.gz TUWWAYPDZKBXMP-UHFFFAOYSA-N -1 1 319.321 0.852 20 5 DCBDMM COc1ccnc(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)c1[N+](=O)[O-] ZINC001170213918 762569622 /nfs/dbraw/zinc/56/96/22/762569622.db2.gz RQEOYDBEARQLGM-UHFFFAOYSA-N -1 1 319.237 0.771 20 5 DCBDMM O=C(c1cc([N+](=O)[O-])ccc1F)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001150802532 769189245 /nfs/dbraw/zinc/18/92/45/769189245.db2.gz FQIWSXBZJDDWJL-SNVBAGLBSA-N -1 1 322.256 0.461 20 5 DCBDMM C[C@](CO)(NC(=O)c1cnncc1[O-])c1cccc([N+](=O)[O-])c1 ZINC001151596782 769375321 /nfs/dbraw/zinc/37/53/21/769375321.db2.gz SVEGPJDCVSHDAZ-CQSZACIVSA-N -1 1 318.289 0.728 20 5 DCBDMM O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC(c2nn[n-]n2)CC1 ZINC001174930932 769818236 /nfs/dbraw/zinc/81/82/36/769818236.db2.gz OGNHWMMZGHQPIF-UHFFFAOYSA-N -1 1 320.313 0.101 20 5 DCBDMM Cc1nc(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)ncc1[N+](=O)[O-] ZINC001159195348 771875268 /nfs/dbraw/zinc/87/52/68/771875268.db2.gz NTJOMRMJVAMEIH-UHFFFAOYSA-N -1 1 304.226 0.466 20 5 DCBDMM CC(=O)Nc1nc(C)c([N+](=O)[O-])c([N-]c2nccnc2CN)n1 ZINC001160249625 772014977 /nfs/dbraw/zinc/01/49/77/772014977.db2.gz BCHNGAAITXALBA-UHFFFAOYSA-N -1 1 318.297 0.644 20 5 DCBDMM O=c1nc(O[C@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)[n-]c(=O)[nH]1 ZINC001227571520 775988209 /nfs/dbraw/zinc/98/82/09/775988209.db2.gz VYNAZUSRUSOHBZ-SECBINFHSA-N -1 1 322.233 0.408 20 5 DCBDMM COC(=O)CN1C[C@H](Oc2cc([N+](=O)[O-])ccc2[O-])CC1=O ZINC001229396427 776188564 /nfs/dbraw/zinc/18/85/64/776188564.db2.gz TYJJBPKKSFCQGJ-SECBINFHSA-N -1 1 310.262 0.453 20 5 DCBDMM O=C([O-])[C@]1(NCc2cc([N+](=O)[O-])cc3c2OCOC3)CCOC1 ZINC001594882854 954440183 /nfs/dbraw/zinc/44/01/83/954440183.db2.gz SXWFJXNIXMIBES-AWEZNQCLSA-N -1 1 324.289 0.795 20 5 DCBDMM CCOC(=O)[C@@H](C)C1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC001303358613 960049014 /nfs/dbraw/zinc/04/90/14/960049014.db2.gz UUBAXWCQFYHKJJ-QMMMGPOBSA-N -1 1 323.305 0.967 20 5 DCBDMM O=C([O-])[C@@]1(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCOC1 ZINC001331729253 961382052 /nfs/dbraw/zinc/38/20/52/961382052.db2.gz DVMOHKNRJIFBQL-CQSZACIVSA-N -1 1 322.321 0.356 20 5 DCBDMM COC[C@]1(C(=O)[O-])CCN(Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC001604541092 973512830 /nfs/dbraw/zinc/51/28/30/973512830.db2.gz GFPZIZUOUJJWSY-ZDUSSCGKSA-N -1 1 312.326 0.789 20 5 DCBDMM CC[C@H](C[C@H](C)O)[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC001475605353 1017126562 /nfs/dbraw/zinc/12/65/62/1017126562.db2.gz QRLRZCTYXQXMRX-DTWKUNHWSA-N -1 1 320.371 0.639 20 5 DCBDMM O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001471461681 1016581190 /nfs/dbraw/zinc/58/11/90/1016581190.db2.gz YSYWHJRUHUZSPP-VIFPVBQESA-N -1 1 318.293 0.503 20 5 DCBDMM COC[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1C)c1nn[n-]n1 ZINC001455725519 1009932709 /nfs/dbraw/zinc/93/27/09/1009932709.db2.gz AJSZYIHOCIKSNN-SNVBAGLBSA-N -1 1 320.309 0.463 20 5 DCBDMM CNC(=O)CSCC(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC001641076256 1171904048 /nfs/dbraw/zinc/90/40/48/1171904048.db2.gz DUYXNVCGBZUKMJ-UHFFFAOYSA-N -1 1 311.319 0.330 20 5 DCBDMM C[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000274984383 212057644 /nfs/dbraw/zinc/05/76/44/212057644.db2.gz YFEFXRUJIBRZNE-ZCFIWIBFSA-N -1 1 306.271 0.733 20 5 DCBDMM CCO[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)[C@@H]1OC ZINC000274891751 212013610 /nfs/dbraw/zinc/01/36/10/212013610.db2.gz CBTWPEXFKWBWEU-MXWKQRLJSA-N -1 1 311.294 0.618 20 5 DCBDMM C[C@@H](CN(C)C(=O)c1cccc([N+](=O)[O-])c1[O-])c1nn[nH]n1 ZINC000274163135 211392919 /nfs/dbraw/zinc/39/29/19/211392919.db2.gz HQDVDTMERZESGA-ZETCQYMHSA-N -1 1 306.282 0.689 20 5 DCBDMM O=C(NC1CCS(=O)(=O)CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000298796964 295625226 /nfs/dbraw/zinc/62/52/26/295625226.db2.gz ZSTUZHOJJGAQOP-UHFFFAOYSA-N -1 1 315.307 0.002 20 5 DCBDMM CC[C@H](C)[C@H](O)C[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000339040666 253024538 /nfs/dbraw/zinc/02/45/38/253024538.db2.gz RJHKKYUBPPHCNY-DTWKUNHWSA-N -1 1 320.371 0.497 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2ccon2)c([N+](=O)[O-])n1 ZINC000340809754 253308067 /nfs/dbraw/zinc/30/80/67/253308067.db2.gz FNEISWYOXHIOEE-ZETCQYMHSA-N -1 1 315.311 0.839 20 5 DCBDMM O=C(NC[C@H](O)C1CCOCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000347113632 254130416 /nfs/dbraw/zinc/13/04/16/254130416.db2.gz HQNLNJIOLFTOGT-NSHDSACASA-N -1 1 311.294 0.213 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-]Cc2cncn2C)c([N+](=O)[O-])n1 ZINC000349804810 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VSBNTHYEWBZGNV-IMTBSYHQSA-N -1 1 309.286 0.732 20 5 DCBDMM CC(C)Cc1noc(Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)n1 ZINC001589665198 1166670917 /nfs/dbraw/zinc/67/09/17/1166670917.db2.gz SFLFFOFBLZNBND-UHFFFAOYSA-N -1 1 319.285 0.601 20 5 DCBDMM C[C@H]1CCNC(=O)[C@H]1Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590279264 1166839854 /nfs/dbraw/zinc/83/98/54/1166839854.db2.gz YNTAIICRCKVGIG-CPCISQLKSA-N -1 1 317.309 0.711 20 5 DCBDMM CCN1CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1=O ZINC001590736709 1166995712 /nfs/dbraw/zinc/99/57/12/1166995712.db2.gz WVNXPLUGCVWGPH-UHFFFAOYSA-N -1 1 323.338 0.505 20 5 DCBDMM CCN1CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1=O ZINC001590736709 1166995720 /nfs/dbraw/zinc/99/57/20/1166995720.db2.gz WVNXPLUGCVWGPH-UHFFFAOYSA-N -1 1 323.338 0.505 20 5 DCBDMM CN(CCCCO)c1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591065905 1167100583 /nfs/dbraw/zinc/10/05/83/1167100583.db2.gz XSKPDCUUUXAOCA-UHFFFAOYSA-N -1 1 307.314 0.566 20 5 DCBDMM CN(CCCCO)c1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591065905 1167100585 /nfs/dbraw/zinc/10/05/85/1167100585.db2.gz XSKPDCUUUXAOCA-UHFFFAOYSA-N -1 1 307.314 0.566 20 5 DCBDMM CN(c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC001591155325 1167119478 /nfs/dbraw/zinc/11/94/78/1167119478.db2.gz KBPHPBBNGKJGFJ-SECBINFHSA-N -1 1 303.282 0.100 20 5 DCBDMM CO[C@@H]1CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@H]1OC ZINC001591472984 1167305108 /nfs/dbraw/zinc/30/51/08/1167305108.db2.gz OQHGUSONZUIOCO-PHIMTYICSA-N -1 1 320.309 0.625 20 5 DCBDMM CO[C@@H]1CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@H]1OC ZINC001591472984 1167305113 /nfs/dbraw/zinc/30/51/13/1167305113.db2.gz OQHGUSONZUIOCO-PHIMTYICSA-N -1 1 320.309 0.625 20 5 DCBDMM Cc1cnc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])nc1 ZINC001592294195 1167484031 /nfs/dbraw/zinc/48/40/31/1167484031.db2.gz WNXPWPXFECLDTJ-UHFFFAOYSA-N -1 1 313.281 0.880 20 5 DCBDMM Cc1cnc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])nc1 ZINC001592294195 1167484036 /nfs/dbraw/zinc/48/40/36/1167484036.db2.gz WNXPWPXFECLDTJ-UHFFFAOYSA-N -1 1 313.281 0.880 20 5 DCBDMM Cc1nnc(CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])o1 ZINC001592442486 1167524924 /nfs/dbraw/zinc/52/49/24/1167524924.db2.gz PRLOBTKKAXVHQG-UHFFFAOYSA-N -1 1 317.269 0.498 20 5 DCBDMM Cc1nnc(CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])o1 ZINC001592442486 1167524929 /nfs/dbraw/zinc/52/49/29/1167524929.db2.gz PRLOBTKKAXVHQG-UHFFFAOYSA-N -1 1 317.269 0.498 20 5 DCBDMM NC(=O)[C@H]1C[C@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001592734334 1167620818 /nfs/dbraw/zinc/62/08/18/1167620818.db2.gz FQNCOYXMDPGOJW-URHBZAFASA-N -1 1 309.311 0.512 20 5 DCBDMM NC(=O)[C@H]1C[C@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001592734334 1167620820 /nfs/dbraw/zinc/62/08/20/1167620820.db2.gz FQNCOYXMDPGOJW-URHBZAFASA-N -1 1 309.311 0.512 20 5 DCBDMM Nc1cc(N2CCC[C@@H](CO)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759455 1167634738 /nfs/dbraw/zinc/63/47/38/1167634738.db2.gz BQVMOIZKVIBWOG-MRVPVSSYSA-N -1 1 319.325 0.566 20 5 DCBDMM Nc1cc(N2CCC[C@@H](CO)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759455 1167634742 /nfs/dbraw/zinc/63/47/42/1167634742.db2.gz BQVMOIZKVIBWOG-MRVPVSSYSA-N -1 1 319.325 0.566 20 5 DCBDMM Nc1cc(NC[C@@H]2CC[C@@H](O)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592760446 1167634770 /nfs/dbraw/zinc/63/47/70/1167634770.db2.gz YGGFOUPIUKKMSH-VXNVDRBHSA-N -1 1 319.325 0.930 20 5 DCBDMM Nc1cc(NC[C@@H]2CC[C@@H](O)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592760446 1167634775 /nfs/dbraw/zinc/63/47/75/1167634775.db2.gz YGGFOUPIUKKMSH-VXNVDRBHSA-N -1 1 319.325 0.930 20 5 DCBDMM Nc1cc(N2C[C@H]3C[C@@]3(CO)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592760005 1167635859 /nfs/dbraw/zinc/63/58/59/1167635859.db2.gz OOGOICQLURFSTG-UHLUBPPHSA-N -1 1 317.309 0.176 20 5 DCBDMM Nc1cc(N2C[C@H]3C[C@@]3(CO)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592760005 1167635863 /nfs/dbraw/zinc/63/58/63/1167635863.db2.gz OOGOICQLURFSTG-UHLUBPPHSA-N -1 1 317.309 0.176 20 5 DCBDMM O=[N+]([O-])c1ccc(NCCO[C@@H]2CCOC2)cc1-c1nnn[n-]1 ZINC001593479132 1167866656 /nfs/dbraw/zinc/86/66/56/1167866656.db2.gz VWWJBADDTMIVOF-SNVBAGLBSA-N -1 1 320.309 0.992 20 5 DCBDMM O=[N+]([O-])c1ccc(NCCO[C@@H]2CCOC2)cc1-c1nn[n-]n1 ZINC001593479132 1167866668 /nfs/dbraw/zinc/86/66/68/1167866668.db2.gz VWWJBADDTMIVOF-SNVBAGLBSA-N -1 1 320.309 0.992 20 5 DCBDMM CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC001596879211 1167998110 /nfs/dbraw/zinc/99/81/10/1167998110.db2.gz ZKIAFYWSOYRSGA-QMMMGPOBSA-N -1 1 314.298 0.442 20 5 DCBDMM COc1ncccc1Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001605350663 1169900928 /nfs/dbraw/zinc/90/09/28/1169900928.db2.gz MIMJYZZVTJXOGN-UHFFFAOYSA-N -1 1 302.254 0.423 20 5 DCBDMM NC(=O)[C@@H]1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001606409823 1170189862 /nfs/dbraw/zinc/18/98/62/1170189862.db2.gz XMZLYYWAZHLVLO-SSDOTTSWSA-N -1 1 303.282 0.087 20 5 DCBDMM NC(=O)[C@@H]1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001606409823 1170189865 /nfs/dbraw/zinc/18/98/65/1170189865.db2.gz XMZLYYWAZHLVLO-SSDOTTSWSA-N -1 1 303.282 0.087 20 5 DCBDMM Nc1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cn1 ZINC001606451096 1170207593 /nfs/dbraw/zinc/20/75/93/1170207593.db2.gz KPIAWKVDFCBXAP-UHFFFAOYSA-N -1 1 313.281 0.759 20 5 DCBDMM Nc1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cn1 ZINC001606451096 1170207596 /nfs/dbraw/zinc/20/75/96/1170207596.db2.gz KPIAWKVDFCBXAP-UHFFFAOYSA-N -1 1 313.281 0.759 20 5 DCBDMM O=C1CCCN1CCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001607043150 1170364939 /nfs/dbraw/zinc/36/49/39/1170364939.db2.gz DNABPYWPZVXXDI-UHFFFAOYSA-N -1 1 317.309 0.809 20 5 DCBDMM O=C1CCCN1CCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001607043150 1170364942 /nfs/dbraw/zinc/36/49/42/1170364942.db2.gz DNABPYWPZVXXDI-UHFFFAOYSA-N -1 1 317.309 0.809 20 5 DCBDMM O=[N+]([O-])c1c(NCCn2cnnc2)cccc1-c1nnn[n-]1 ZINC001607078264 1170382334 /nfs/dbraw/zinc/38/23/34/1170382334.db2.gz QZXYPYKNAAVEBD-UHFFFAOYSA-N -1 1 301.270 0.479 20 5 DCBDMM O=[N+]([O-])c1c(NCCn2cnnc2)cccc1-c1nn[n-]n1 ZINC001607078264 1170382339 /nfs/dbraw/zinc/38/23/39/1170382339.db2.gz QZXYPYKNAAVEBD-UHFFFAOYSA-N -1 1 301.270 0.479 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@H]2COC[C@H]2C1 ZINC001607076767 1170382564 /nfs/dbraw/zinc/38/25/64/1170382564.db2.gz DRZZMMXBIMLNMF-DTWKUNHWSA-N -1 1 317.309 0.643 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@H]2COC[C@H]2C1 ZINC001607076767 1170382568 /nfs/dbraw/zinc/38/25/68/1170382568.db2.gz DRZZMMXBIMLNMF-DTWKUNHWSA-N -1 1 317.309 0.643 20 5 DCBDMM O=[N+]([O-])c1cn(Cc2cccc([N+](=O)[O-])c2)nc1-c1nn[n-]n1 ZINC001607084389 1170383797 /nfs/dbraw/zinc/38/37/97/1170383797.db2.gz CQFMRKOXGQIXSB-UHFFFAOYSA-N -1 1 316.237 0.928 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CC(n2cncn2)C1 ZINC001607085641 1170385000 /nfs/dbraw/zinc/38/50/00/1170385000.db2.gz ILWFQNUZUXIBLC-UHFFFAOYSA-N -1 1 319.310 0.489 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CC(n2cncn2)C1 ZINC001607085641 1170385006 /nfs/dbraw/zinc/38/50/06/1170385006.db2.gz ILWFQNUZUXIBLC-UHFFFAOYSA-N -1 1 319.310 0.489 20 5 DCBDMM C[C@@H](CO)[C@H](C)Nc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001609114421 1170813251 /nfs/dbraw/zinc/81/32/51/1170813251.db2.gz IIPAKKVPKXXSKR-BQBZGAKWSA-N -1 1 307.314 0.786 20 5 DCBDMM C[C@@H](CO)[C@H](C)Nc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001609114421 1170813259 /nfs/dbraw/zinc/81/32/59/1170813259.db2.gz IIPAKKVPKXXSKR-BQBZGAKWSA-N -1 1 307.314 0.786 20 5 DCBDMM C[C@H](C[S@](C)=O)Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609115304 1170814798 /nfs/dbraw/zinc/81/47/98/1170814798.db2.gz SQBOTXUMLLFZDY-QFWYVNQISA-N -1 1 310.339 0.954 20 5 DCBDMM C[C@H](C[S@](C)=O)Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609115304 1170814804 /nfs/dbraw/zinc/81/48/04/1170814804.db2.gz SQBOTXUMLLFZDY-QFWYVNQISA-N -1 1 310.339 0.954 20 5 DCBDMM CC[S@@](=O)CCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609247300 1170896434 /nfs/dbraw/zinc/89/64/34/1170896434.db2.gz DAWJQJYEGUFUKN-OAQYLSRUSA-N -1 1 310.339 0.955 20 5 DCBDMM COC(=O)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001609296359 1170919985 /nfs/dbraw/zinc/91/99/85/1170919985.db2.gz HDNKNVMVHSSPLC-MRVPVSSYSA-N -1 1 318.293 0.774 20 5 DCBDMM O=[N+]([O-])c1ccc(-n2cnc(-c3nn[n-]n3)n2)c2ncccc12 ZINC001609601634 1171038621 /nfs/dbraw/zinc/03/86/21/1171038621.db2.gz RURWSFOFHRKPDG-UHFFFAOYSA-N -1 1 309.249 0.904 20 5 DCBDMM COC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1nn[n-]n1 ZINC001634622336 1171681219 /nfs/dbraw/zinc/68/12/19/1171681219.db2.gz PCCKBDRZCDVJSV-VIFPVBQESA-N -1 1 310.245 0.365 20 5 DCBDMM CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2nn[n-]n2)CC(C)C)n1 ZINC001637058109 1171757586 /nfs/dbraw/zinc/75/75/86/1171757586.db2.gz PGNMCZHAFVPULI-UHFFFAOYSA-N -1 1 322.329 0.623 20 5 DCBDMM COC[C@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1nn[n-]n1 ZINC001644686148 1172015302 /nfs/dbraw/zinc/01/53/02/1172015302.db2.gz QMIXYSBJLUJRAI-VIFPVBQESA-N -1 1 306.282 0.534 20 5 DCBDMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC001644716887 1172018522 /nfs/dbraw/zinc/01/85/22/1172018522.db2.gz FYOJFAAHTLCCBW-UHFFFAOYSA-N -1 1 305.298 0.801 20 5 DCBDMM CONC(=O)C1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC001644905273 1172023430 /nfs/dbraw/zinc/02/34/30/1172023430.db2.gz OCMXKRCEQVHDBP-UHFFFAOYSA-N -1 1 324.293 0.225 20 5 DCBDMM O=C(NCC1(n2cccn2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001645603096 1172071188 /nfs/dbraw/zinc/07/11/88/1172071188.db2.gz NGBPPJBDQXKWAQ-UHFFFAOYSA-N -1 1 303.278 0.811 20 5 DCBDMM CN(Cc1cnc[nH]1)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC001663073177 1174264688 /nfs/dbraw/zinc/26/46/88/1174264688.db2.gz PBTDURJFNZKMAG-UHFFFAOYSA-N -1 1 312.307 0.844 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-]CC[C@H](O)C2CC2)c([N+](=O)[O-])n1 ZINC001666653052 1174618306 /nfs/dbraw/zinc/61/83/06/1174618306.db2.gz LJURDSIDQVZJTL-VIFPVBQESA-N -1 1 318.355 0.251 20 5 DCBDMM O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@@H](c2nn[n-]n2)C1 ZINC001153001347 769692315 /nfs/dbraw/zinc/69/23/15/769692315.db2.gz LESAQNRRUKRCKT-SECBINFHSA-N -1 1 318.293 0.503 20 5 DCBDMM C[C@@H](O)CN(CC(F)F)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001158143946 771730256 /nfs/dbraw/zinc/73/02/56/771730256.db2.gz CZIJBNYFPNQMBC-ZCFIWIBFSA-N -1 1 305.237 0.784 20 5 DCBDMM O=C(N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001184130474 771746320 /nfs/dbraw/zinc/74/63/20/771746320.db2.gz BMCAYBYKGJPGCG-PSYIXQSTSA-N -1 1 305.290 0.849 20 5 DCBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@](O)(C(F)F)C1 ZINC001158659285 771805101 /nfs/dbraw/zinc/80/51/01/771805101.db2.gz SHDMKXYPRDQQKE-NSHDSACASA-N -1 1 303.221 0.538 20 5 DCBDMM CC(C)[C@@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])C(N)=O ZINC001589763122 1166684299 /nfs/dbraw/zinc/68/42/99/1166684299.db2.gz SCYRUTLXMMHMKV-SSDOTTSWSA-N -1 1 311.327 0.758 20 5 DCBDMM CC(C)[C@@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])C(N)=O ZINC001589763122 1166684307 /nfs/dbraw/zinc/68/43/07/1166684307.db2.gz SCYRUTLXMMHMKV-SSDOTTSWSA-N -1 1 311.327 0.758 20 5 DCBDMM O=[N+]([O-])c1cc(NCC(F)(F)CO)ccc1-c1nn[n-]n1 ZINC001593474016 1167860249 /nfs/dbraw/zinc/86/02/49/1167860249.db2.gz NRYXVWVCUDSWCR-UHFFFAOYSA-N -1 1 300.225 0.814 20 5 DCBDMM O=C(NC1CCS(=O)(=O)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001255937636 946560377 /nfs/dbraw/zinc/56/03/77/946560377.db2.gz JMDOPCKHADHMDO-UHFFFAOYSA-N -1 1 315.307 0.002 20 5 DCBDMM C=C=CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001573299351 947094542 /nfs/dbraw/zinc/09/45/42/947094542.db2.gz DJCKUIAJKRVFCW-UHFFFAOYSA-N -1 1 322.306 0.394 20 5 DCBDMM C=C=CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001573299351 947094556 /nfs/dbraw/zinc/09/45/56/947094556.db2.gz DJCKUIAJKRVFCW-UHFFFAOYSA-N -1 1 322.306 0.394 20 5 DCBDMM COC(=O)N1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC001324699656 947506506 /nfs/dbraw/zinc/50/65/06/947506506.db2.gz IEUHWCFNOBOGOU-UHFFFAOYSA-N -1 1 324.293 0.610 20 5 DCBDMM COC(=O)C[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001462784452 1013088189 /nfs/dbraw/zinc/08/81/89/1013088189.db2.gz PATFLFXVEYGKBU-UHFFFAOYSA-N -1 1 306.271 0.494 20 5 DCBDMM Cn1nccc1[C@H](NCc1cc(O)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001594594205 956072474 /nfs/dbraw/zinc/07/24/74/956072474.db2.gz CDKLVKHYSSIUDY-LBPRGKRZSA-N -1 1 306.278 0.949 20 5 DCBDMM CC(C)(C)OC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001590340726 989783667 /nfs/dbraw/zinc/78/36/67/989783667.db2.gz BLWMZCGFGNSTII-HRDYMLBCSA-N -1 1 316.310 0.343 20 5 DCBDMM CO[C@@H]1CCC[C@H]([C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C(=O)[O-])C1 ZINC001599109337 997538403 /nfs/dbraw/zinc/53/84/03/997538403.db2.gz QZLJUOSJGKCUIE-VPJKUYQRSA-N -1 1 300.311 0.426 20 5 DCBDMM Cc1c(CC(=O)N2CC[C@@H](c3nn[n-]n3)C2)cccc1[N+](=O)[O-] ZINC001558078869 1012319397 /nfs/dbraw/zinc/31/93/97/1012319397.db2.gz MYZJHCLDTATZRT-LLVKDONJSA-N -1 1 316.321 0.975 20 5 DCBDMM CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1nn[n-]n1 ZINC001461556610 1013028787 /nfs/dbraw/zinc/02/87/87/1013028787.db2.gz ARSFWBWFHSCZFQ-UHFFFAOYSA-N 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0.885 20 5 DCBDMM CN(C)C(=O)OCCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591004732 1167075075 /nfs/dbraw/zinc/07/50/75/1167075075.db2.gz OBLDVWQCVVRTBF-UHFFFAOYSA-N -1 1 321.297 0.885 20 5 DCBDMM CN1CC[C@@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1=O ZINC001591181429 1167132098 /nfs/dbraw/zinc/13/20/98/1167132098.db2.gz WYCJAXPJGZTWJL-ZCFIWIBFSA-N -1 1 323.338 0.869 20 5 DCBDMM CN1CC[C@@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1=O ZINC001591181429 1167132104 /nfs/dbraw/zinc/13/21/04/1167132104.db2.gz WYCJAXPJGZTWJL-ZCFIWIBFSA-N -1 1 323.338 0.869 20 5 DCBDMM COC[C@@H](CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])OC ZINC001591377021 1167246714 /nfs/dbraw/zinc/24/67/14/1167246714.db2.gz AOVLESHTDYASET-MRVPVSSYSA-N -1 1 308.298 0.848 20 5 DCBDMM COC[C@@H](CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])OC ZINC001591377021 1167246720 /nfs/dbraw/zinc/24/67/20/1167246720.db2.gz AOVLESHTDYASET-MRVPVSSYSA-N -1 1 308.298 0.848 20 5 DCBDMM Cc1cc(NCCOCCO)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592050353 1167447246 /nfs/dbraw/zinc/44/72/46/1167447246.db2.gz MZLDSTZOEYRSLK-UHFFFAOYSA-N -1 1 308.298 0.504 20 5 DCBDMM Cc1cc(NCCOCCO)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592050353 1167447250 /nfs/dbraw/zinc/44/72/50/1167447250.db2.gz MZLDSTZOEYRSLK-UHFFFAOYSA-N -1 1 308.298 0.504 20 5 DCBDMM Nc1cc(N2CCC3(COC3)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759494 1167635626 /nfs/dbraw/zinc/63/56/26/1167635626.db2.gz CSXSSKGOLZXPGY-UHFFFAOYSA-N -1 1 317.309 0.584 20 5 DCBDMM Nc1cc(N2CCC3(COC3)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759494 1167635627 /nfs/dbraw/zinc/63/56/27/1167635627.db2.gz CSXSSKGOLZXPGY-UHFFFAOYSA-N -1 1 317.309 0.584 20 5 DCBDMM Nc1cc(N[C@@H](CO)CCF)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592760276 1167635820 /nfs/dbraw/zinc/63/58/20/1167635820.db2.gz VSGVTHYASJCECE-ZCFIWIBFSA-N -1 1 311.277 0.490 20 5 DCBDMM Nc1cc(N[C@@H](CO)CCF)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592760276 1167635823 /nfs/dbraw/zinc/63/58/23/1167635823.db2.gz VSGVTHYASJCECE-ZCFIWIBFSA-N -1 1 311.277 0.490 20 5 DCBDMM O=C(Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1)Nc1ccccc1 ZINC001592937677 1167667524 /nfs/dbraw/zinc/66/75/24/1167667524.db2.gz LQGOBSDFHKMGNM-UHFFFAOYSA-N -1 1 314.265 0.610 20 5 DCBDMM O=C1O[C@H](Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)CC12CCC2 ZINC001593413659 1167829208 /nfs/dbraw/zinc/82/92/08/1167829208.db2.gz XDJBHEGOYMFYAB-ZETCQYMHSA-N -1 1 319.281 0.457 20 5 DCBDMM O=C([O-])[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1cc(F)ccc1F ZINC001601664518 1168810496 /nfs/dbraw/zinc/81/04/96/1168810496.db2.gz JNGGYUFGNOGCJF-QNSHHTMESA-N -1 1 300.217 0.872 20 5 DCBDMM CC(=O)N1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001602930243 1169211466 /nfs/dbraw/zinc/21/14/66/1169211466.db2.gz GOUORGSHLRWKGT-UHFFFAOYSA-N -1 1 317.309 0.443 20 5 DCBDMM CC(=O)N1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001602930243 1169211473 /nfs/dbraw/zinc/21/14/73/1169211473.db2.gz GOUORGSHLRWKGT-UHFFFAOYSA-N -1 1 317.309 0.443 20 5 DCBDMM C[C@H](C[S@@](C)=O)N(C)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001603572017 1169327102 /nfs/dbraw/zinc/32/71/02/1169327102.db2.gz LEILFQMAXWLMLF-CWMRNNLJSA-N -1 1 324.366 0.978 20 5 DCBDMM CC1(C)CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@H]1O ZINC001603786536 1169390238 /nfs/dbraw/zinc/39/02/38/1169390238.db2.gz DAORAWRZUHJBRT-JTQLQIEISA-N -1 1 304.310 0.982 20 5 DCBDMM CC1(C)CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@H]1O ZINC001603786536 1169390244 /nfs/dbraw/zinc/39/02/44/1169390244.db2.gz DAORAWRZUHJBRT-JTQLQIEISA-N -1 1 304.310 0.982 20 5 DCBDMM CO[C@@H]1COC[C@@H]1Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001605151568 1169846512 /nfs/dbraw/zinc/84/65/12/1169846512.db2.gz RXTXBZAFZUSIDF-NKWVEPMBSA-N -1 1 312.311 0.662 20 5 DCBDMM CO[C@@H]1COC[C@@H]1Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001605151568 1169846515 /nfs/dbraw/zinc/84/65/15/1169846515.db2.gz RXTXBZAFZUSIDF-NKWVEPMBSA-N -1 1 312.311 0.662 20 5 DCBDMM COC(=O)[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC001606428372 1170197476 /nfs/dbraw/zinc/19/74/76/1170197476.db2.gz CSUDOVCYQNCQGJ-GHMZBOCLSA-N -1 1 308.290 0.900 20 5 DCBDMM Nc1cc(N2CC[C@@](F)(CO)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001606451808 1170207356 /nfs/dbraw/zinc/20/73/56/1170207356.db2.gz ZNTQNZOJLXKJKE-LBPRGKRZSA-N -1 1 323.288 0.268 20 5 DCBDMM Nc1cc(N2CC[C@@](F)(CO)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001606451808 1170207360 /nfs/dbraw/zinc/20/73/60/1170207360.db2.gz ZNTQNZOJLXKJKE-LBPRGKRZSA-N -1 1 323.288 0.268 20 5 DCBDMM O=[N+]([O-])c1ccc(-c2nnn[n-]2)c(S(=O)(=O)N2CC=CC2)c1 ZINC001607079860 1170382999 /nfs/dbraw/zinc/38/29/99/1170382999.db2.gz MMLRFEOPKJFFQR-UHFFFAOYSA-N -1 1 322.306 0.335 20 5 DCBDMM O=[N+]([O-])c1ccc(-c2nn[n-]n2)c(S(=O)(=O)N2CC=CC2)c1 ZINC001607079860 1170383008 /nfs/dbraw/zinc/38/30/08/1170383008.db2.gz MMLRFEOPKJFFQR-UHFFFAOYSA-N -1 1 322.306 0.335 20 5 DCBDMM O=c1c(F)cc([N+](=O)[O-])cn1Cc1ccc(-c2nnn[n-]2)o1 ZINC001607090100 1170385577 /nfs/dbraw/zinc/38/55/77/1170385577.db2.gz VZLROYLUUCSQQE-UHFFFAOYSA-N -1 1 306.213 0.717 20 5 DCBDMM O=c1c(F)cc([N+](=O)[O-])cn1Cc1ccc(-c2nn[n-]n2)o1 ZINC001607090100 1170385583 /nfs/dbraw/zinc/38/55/83/1170385583.db2.gz VZLROYLUUCSQQE-UHFFFAOYSA-N -1 1 306.213 0.717 20 5 DCBDMM O=c1c(F)cc([N+](=O)[O-])cn1Cc1nc(-c2nnn[n-]2)cs1 ZINC001607089706 1170387229 /nfs/dbraw/zinc/38/72/29/1170387229.db2.gz JDLXUMGUXLXJOR-UHFFFAOYSA-N -1 1 323.269 0.581 20 5 DCBDMM O=c1c(F)cc([N+](=O)[O-])cn1Cc1nc(-c2nn[n-]n2)cs1 ZINC001607089706 1170387235 /nfs/dbraw/zinc/38/72/35/1170387235.db2.gz JDLXUMGUXLXJOR-UHFFFAOYSA-N -1 1 323.269 0.581 20 5 DCBDMM COCCOCCN(C)c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609327719 1170940909 /nfs/dbraw/zinc/94/09/09/1170940909.db2.gz BKOJHIKULSOUIQ-UHFFFAOYSA-N -1 1 322.325 0.874 20 5 DCBDMM COCCOCCN(C)c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609327719 1170940912 /nfs/dbraw/zinc/94/09/12/1170940912.db2.gz BKOJHIKULSOUIQ-UHFFFAOYSA-N -1 1 322.325 0.874 20 5 DCBDMM Nc1cc(N2CC(O)(C3CC3)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609511008 1171004029 /nfs/dbraw/zinc/00/40/29/1171004029.db2.gz RVYSEBWZVBWSRX-UHFFFAOYSA-N -1 1 317.309 0.318 20 5 DCBDMM Nc1cc(N2CC(O)(C3CC3)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609511008 1171004036 /nfs/dbraw/zinc/00/40/36/1171004036.db2.gz RVYSEBWZVBWSRX-UHFFFAOYSA-N -1 1 317.309 0.318 20 5 DCBDMM O=[N+]([O-])c1cc(N2CCO[C@H](CF)C2)ccc1-c1nn[n-]n1 ZINC001609601473 1171039946 /nfs/dbraw/zinc/03/99/46/1171039946.db2.gz YJLWQCYXMKGQGR-SECBINFHSA-N -1 1 308.273 0.950 20 5 DCBDMM C[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1CCO ZINC001609874713 1171111649 /nfs/dbraw/zinc/11/16/49/1171111649.db2.gz PWGVHNSWLHZAIN-LLVKDONJSA-N -1 1 323.349 0.791 20 5 DCBDMM O=C([O-])C[C@]1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCOC1 ZINC001610757484 1171312539 /nfs/dbraw/zinc/31/25/39/1171312539.db2.gz ZNLCMOFAWASLTM-CYBMUJFWSA-N -1 1 310.262 0.664 20 5 DCBDMM Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001634663889 1171684268 /nfs/dbraw/zinc/68/42/68/1171684268.db2.gz XGGXWMWHOMYHRI-SECBINFHSA-N -1 1 319.325 0.541 20 5 DCBDMM O=C(N[C@@H](CO)c1ccccn1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001641451600 1171916454 /nfs/dbraw/zinc/91/64/54/1171916454.db2.gz STAOSVMIXZJYIS-JTQLQIEISA-N -1 1 304.262 0.554 20 5 DCBDMM CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(c3nn[n-]n3)CC2)n1 ZINC001650644750 1173729923 /nfs/dbraw/zinc/72/99/23/1173729923.db2.gz HGTMSBIRHRYETN-UHFFFAOYSA-N -1 1 320.313 0.344 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-]CCc2cn[nH]c2)c([N+](=O)[O-])n1 ZINC001655531939 1173822237 /nfs/dbraw/zinc/82/22/37/1173822237.db2.gz CCDYVHNYNGIOEY-UHFFFAOYSA-N -1 1 314.327 0.055 20 5 DCBDMM Cn1cnc([N+](=O)[O-])c1NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001655788615 1173827908 /nfs/dbraw/zinc/82/79/08/1173827908.db2.gz YBKBCYMLAPWLNF-UHFFFAOYSA-N -1 1 306.282 0.509 20 5 DCBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2COCO2)cc1F ZINC001664343748 1174423996 /nfs/dbraw/zinc/42/39/96/1174423996.db2.gz WWUSGHQNKOIXME-QMMMGPOBSA-N -1 1 320.298 0.694 20 5 DCBDMM NC(=O)c1nc[n-]c(=O)c1O[C@H](C[N+](=O)[O-])c1cccnc1 ZINC001234467827 769663117 /nfs/dbraw/zinc/66/31/17/769663117.db2.gz OKSICRLYEXJHHJ-MRVPVSSYSA-N -1 1 305.250 0.073 20 5 DCBDMM COC[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1nn[n-]n1 ZINC001155070731 770385628 /nfs/dbraw/zinc/38/56/28/770385628.db2.gz YNMXSOWCUJWUTF-VIFPVBQESA-N -1 1 306.282 0.154 20 5 DCBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@](O)(C(F)F)C1 ZINC001183494646 771655666 /nfs/dbraw/zinc/65/56/66/771655666.db2.gz DNGWJEHDRKLIFJ-NSHDSACASA-N -1 1 303.221 0.538 20 5 DCBDMM COC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001185111576 771867666 /nfs/dbraw/zinc/86/76/66/771867666.db2.gz NBPSPFNVAXVSCE-ZETCQYMHSA-N -1 1 320.298 0.882 20 5 DCBDMM Cn1cc(NCC[N-]C(=O)C(F)(F)F)cc([N+](=O)[O-])c1=O ZINC001164244152 772630258 /nfs/dbraw/zinc/63/02/58/772630258.db2.gz XNYSVMPCXHWUTO-UHFFFAOYSA-N -1 1 308.216 0.384 20 5 DCBDMM O=c1nc(O[C@H]2CCN(c3ccccc3[N+](=O)[O-])C2)[n-]c(=O)[nH]1 ZINC001227570119 775985641 /nfs/dbraw/zinc/98/56/41/775985641.db2.gz IKSYKFDLSHZZAK-QMMMGPOBSA-N -1 1 319.277 0.849 20 5 DCBDMM Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228140391 776051519 /nfs/dbraw/zinc/05/15/19/776051519.db2.gz JFTHQOPQTKDYIT-LURJTMIESA-N -1 1 324.253 0.971 20 5 DCBDMM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001594787311 953683898 /nfs/dbraw/zinc/68/38/98/953683898.db2.gz ZVWQBQKSRXACRX-SECBINFHSA-N -1 1 304.262 0.744 20 5 DCBDMM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CC[C@H](c2nn[nH]n2)C1 ZINC001302935526 960034603 /nfs/dbraw/zinc/03/46/03/960034603.db2.gz AXCNTVIGINMSQC-ZETCQYMHSA-N -1 1 304.266 0.443 20 5 DCBDMM Cc1ccc(C[N-]S(=O)(=O)N=S(C)(C)=O)cc1[N+](=O)[O-] ZINC001309779040 960206783 /nfs/dbraw/zinc/20/67/83/960206783.db2.gz RCUJIANYZFXGQH-UHFFFAOYSA-N -1 1 321.380 0.965 20 5 DCBDMM CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H](C(=O)[O-])C1 ZINC001598613221 993824238 /nfs/dbraw/zinc/82/42/38/993824238.db2.gz MJCRHDGONWAGSW-SECBINFHSA-N -1 1 322.321 0.265 20 5 DCBDMM COc1ccc([C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC001599527414 997585980 /nfs/dbraw/zinc/58/59/80/997585980.db2.gz YKAJQNWGSFTWGB-JTQLQIEISA-N -1 1 320.261 0.882 20 5 DCBDMM COc1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1C(=O)[O-] ZINC001599571927 998379448 /nfs/dbraw/zinc/37/94/48/998379448.db2.gz LBNBLFWSDFQLKO-UHFFFAOYSA-N -1 1 320.261 0.955 20 5 DCBDMM CONC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC001559030496 1012402551 /nfs/dbraw/zinc/40/25/51/1012402551.db2.gz VRZNQAFSADCEIN-UHFFFAOYSA-N -1 1 324.293 0.225 20 5 DCBDMM C[C@@H](C[S@@](C)=O)Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609115303 1170814632 /nfs/dbraw/zinc/81/46/32/1170814632.db2.gz SQBOTXUMLLFZDY-MWAODPMSSA-N -1 1 310.339 0.954 20 5 DCBDMM C[C@@H](C[S@@](C)=O)Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609115303 1170814639 /nfs/dbraw/zinc/81/46/39/1170814639.db2.gz SQBOTXUMLLFZDY-MWAODPMSSA-N -1 1 310.339 0.954 20 5 DCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H](CO)C1CC1 ZINC000567284421 291347309 /nfs/dbraw/zinc/34/73/09/291347309.db2.gz OGJPEVXVKHWERI-VIFPVBQESA-N -1 1 301.324 0.287 20 5 DCBDMM CS[C@H](CO)[C@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000275140834 212146414 /nfs/dbraw/zinc/14/64/14/212146414.db2.gz PKPYEZKIRRUOMG-IMTBSYHQSA-N -1 1 301.324 0.538 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H]2CCCOC2)c([N+](=O)[O-])n1 ZINC000339042995 253025599 /nfs/dbraw/zinc/02/55/99/253025599.db2.gz IIETZVBQLKSJQZ-VIFPVBQESA-N -1 1 318.355 0.516 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-]C[C@@](C)(O)CC)c([N+](=O)[O-])n1 ZINC000339050011 253026066 /nfs/dbraw/zinc/02/60/66/253026066.db2.gz XVYIYPMOJGOLER-JTQLQIEISA-N -1 1 306.344 0.251 20 5 DCBDMM O=C(NCc1cn2ccccc2n1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000028834447 395696470 /nfs/dbraw/zinc/69/64/70/395696470.db2.gz GZADWPIHYAKGHO-UHFFFAOYSA-N -1 1 313.273 0.861 20 5 DCBDMM COC(=O)C[C@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278124667 396107495 /nfs/dbraw/zinc/10/74/95/396107495.db2.gz SYVLCOKPWFANII-SECBINFHSA-N -1 1 309.278 0.863 20 5 DCBDMM O=C(N[C@H]1CC(=O)N(C2CC2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278225665 396113574 /nfs/dbraw/zinc/11/35/74/396113574.db2.gz SMZRRXOYVMYVSV-QMMMGPOBSA-N -1 1 306.278 0.189 20 5 DCBDMM O=C(NCC1(N2CCOCC2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277600084 396077284 /nfs/dbraw/zinc/07/72/84/396077284.db2.gz ONZFTKHTNSVZNZ-UHFFFAOYSA-N -1 1 322.321 0.290 20 5 DCBDMM O=C(NC[C@@H](CO)[C@@H]1CCOC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000280521710 396206023 /nfs/dbraw/zinc/20/60/23/396206023.db2.gz RDQUKFXSHJLPKT-SCZZXKLOSA-N -1 1 311.294 0.070 20 5 DCBDMM O=C(NCc1nncn1C1CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187077142 396363266 /nfs/dbraw/zinc/36/32/66/396363266.db2.gz NLMHZDRYHWKGBR-UHFFFAOYSA-N -1 1 304.266 0.552 20 5 DCBDMM COC(=O)[C@@H](C)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000269259738 396401602 /nfs/dbraw/zinc/40/16/02/396401602.db2.gz BMAVWEGWZUYSSB-ZETCQYMHSA-N -1 1 320.298 0.821 20 5 DCBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000374098828 396638988 /nfs/dbraw/zinc/63/89/88/396638988.db2.gz HIGCRYYGNXVUCM-PSASIEDQSA-N -1 1 306.278 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DCBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)[C@@H](C)OC)c([N+](=O)[O-])n1 ZINC000342098018 416282798 /nfs/dbraw/zinc/28/27/98/416282798.db2.gz NYZHCTCOMRFELN-HTQZYQBOSA-N -1 1 306.344 0.513 20 5 DCBDMM CC(C)(NC(=O)COc1ccc([N+](=O)[O-])cc1)c1nn[n-]n1 ZINC000359802357 416359414 /nfs/dbraw/zinc/35/94/14/416359414.db2.gz SCBOGKDDVKDOTE-UHFFFAOYSA-N -1 1 306.282 0.538 20 5 DCBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](n2ccnn2)C1 ZINC000424997986 416676529 /nfs/dbraw/zinc/67/65/29/416676529.db2.gz CUFLUFOHDLISHI-SNVBAGLBSA-N -1 1 318.293 0.764 20 5 DCBDMM CCOC(=O)c1nc(CNC(=O)c2ccc([N+](=O)[O-])cc2)n[n-]1 ZINC000615919131 416934578 /nfs/dbraw/zinc/93/45/78/416934578.db2.gz AUZNXJMYBPWIAI-UHFFFAOYSA-N -1 1 319.277 0.820 20 5 DCBDMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000615919131 416934586 /nfs/dbraw/zinc/93/45/86/416934586.db2.gz AUZNXJMYBPWIAI-UHFFFAOYSA-N -1 1 319.277 0.820 20 5 DCBDMM O=C(Nc1nnn[n-]1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000522927855 417070369 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O=C(NCc1n[nH]c(=O)[n-]1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000358927184 271081255 /nfs/dbraw/zinc/08/12/55/271081255.db2.gz GYLPURKJGOQRLV-UHFFFAOYSA-N -1 1 303.238 0.225 20 5 DCBDMM O=C(NC[C@@H]1CCCS1(=O)=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000489144888 272057462 /nfs/dbraw/zinc/05/74/62/272057462.db2.gz ZBKLMWMEHNJKSN-QMMMGPOBSA-N -1 1 315.307 0.002 20 5 DCBDMM CC(C)C[C@H](CO)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000532771519 272795383 /nfs/dbraw/zinc/79/53/83/272795383.db2.gz GCQGNBYATLMECK-SECBINFHSA-N -1 1 303.340 0.675 20 5 DCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCCOCC1 ZINC000537352532 287865159 /nfs/dbraw/zinc/86/51/59/287865159.db2.gz LPVOTVUEHYVGIU-VIFPVBQESA-N -1 1 301.324 0.837 20 5 DCBDMM CC1(C)[C@@H](O)C[C@@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000548623308 288160570 /nfs/dbraw/zinc/16/05/70/288160570.db2.gz DCACFYXSYHECEL-IUCAKERBSA-N -1 1 301.324 0.428 20 5 DCBDMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])[nH]1 ZINC000551995199 288256326 /nfs/dbraw/zinc/25/63/26/288256326.db2.gz KAOPQQUIAGLXSY-ZCFIWIBFSA-N -1 1 312.311 0.456 20 5 DCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H](CO)C1CCCC1 ZINC000554964249 288342469 /nfs/dbraw/zinc/34/24/69/288342469.db2.gz OKZKKSVAPYTUKC-SNVBAGLBSA-N -1 1 315.351 0.819 20 5 DCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H](CO)CC(F)F ZINC000564516318 288747601 /nfs/dbraw/zinc/74/76/01/288747601.db2.gz ZRPYEDVDGKDJHB-LURJTMIESA-N -1 1 311.266 0.284 20 5 DCBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCOCCO ZINC000269730146 527355489 /nfs/dbraw/zinc/35/54/89/527355489.db2.gz RDSACYOVFPRWRY-UHFFFAOYSA-N -1 1 324.742 0.535 20 5 DCBDMM Cc1n[nH]c(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000738248333 600273179 /nfs/dbraw/zinc/27/31/79/600273179.db2.gz HXHULXYTGCYQAJ-MRVPVSSYSA-N -1 1 308.294 0.953 20 5 DCBDMM CN(CCC(=O)N(C)CC(=O)[O-])Cc1ccccc1[N+](=O)[O-] ZINC000737412058 600289917 /nfs/dbraw/zinc/28/99/17/600289917.db2.gz JJDROBBKKOVMHK-UHFFFAOYSA-N -1 1 309.322 0.960 20 5 DCBDMM C[C@H](CO)CCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000824441050 607967293 /nfs/dbraw/zinc/96/72/93/607967293.db2.gz MPZWMJJHUJWRDX-QMMMGPOBSA-N -1 1 307.314 0.990 20 5 DCBDMM C[C@H](O)[C@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000824689080 607561301 /nfs/dbraw/zinc/56/13/01/607561301.db2.gz JYVAQMUHAVFNAC-IUCAKERBSA-N -1 1 319.325 0.767 20 5 DCBDMM C[C@H](O)[C@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000824689080 607561303 /nfs/dbraw/zinc/56/13/03/607561303.db2.gz JYVAQMUHAVFNAC-IUCAKERBSA-N -1 1 319.325 0.767 20 5 DCBDMM Cc1[nH]nc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1[N+](=O)[O-] ZINC000829833009 604027887 /nfs/dbraw/zinc/02/78/87/604027887.db2.gz DJXUUZUOGZZVPZ-BDAKNGLRSA-N -1 1 323.309 0.983 20 5 DCBDMM Cc1[nH]nc(C(=O)N(C)[C@H](COC(C)C)C(=O)[O-])c1[N+](=O)[O-] ZINC000832847776 604448008 /nfs/dbraw/zinc/44/80/08/604448008.db2.gz UQWILPFRASBMOQ-MRVPVSSYSA-N -1 1 314.298 0.577 20 5 DCBDMM O=C([O-])NC[C@@H]1CCCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000834221190 605959246 /nfs/dbraw/zinc/95/92/46/605959246.db2.gz SQHTVCKCMJKRSX-NSHDSACASA-N -1 1 324.337 0.879 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1CCC[C@@H](O)C1 ZINC000823620688 606699869 /nfs/dbraw/zinc/69/98/69/606699869.db2.gz OGWLVYCYDMRIEY-JGVFFNPUSA-N -1 1 305.298 0.885 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1CCC[C@@H](O)C1 ZINC000823620688 606699871 /nfs/dbraw/zinc/69/98/71/606699871.db2.gz OGWLVYCYDMRIEY-JGVFFNPUSA-N -1 1 305.298 0.885 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CCC[C@@H](O)C1 ZINC000823620686 606700095 /nfs/dbraw/zinc/70/00/95/606700095.db2.gz OGWLVYCYDMRIEY-HTQZYQBOSA-N -1 1 305.298 0.885 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1CCC[C@@H](O)C1 ZINC000823620686 606700096 /nfs/dbraw/zinc/70/00/96/606700096.db2.gz OGWLVYCYDMRIEY-HTQZYQBOSA-N -1 1 305.298 0.885 20 5 DCBDMM CN(C[C@H](O)C1CC1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821594975 606716903 /nfs/dbraw/zinc/71/69/03/606716903.db2.gz ITQWNPDYEHJLOE-VIFPVBQESA-N -1 1 305.298 0.377 20 5 DCBDMM CN(C[C@H](O)C1CC1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821594975 606716904 /nfs/dbraw/zinc/71/69/04/606716904.db2.gz ITQWNPDYEHJLOE-VIFPVBQESA-N -1 1 305.298 0.377 20 5 DCBDMM CC(C)OC(=O)CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820142867 607164046 /nfs/dbraw/zinc/16/40/46/607164046.db2.gz ZCETXKBPZXJYCQ-UHFFFAOYSA-N -1 1 321.297 0.924 20 5 DCBDMM CC(C)OC(=O)CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820142867 607164047 /nfs/dbraw/zinc/16/40/47/607164047.db2.gz ZCETXKBPZXJYCQ-UHFFFAOYSA-N -1 1 321.297 0.924 20 5 DCBDMM C[C@H](CO)CCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000824441050 607967292 /nfs/dbraw/zinc/96/72/92/607967292.db2.gz MPZWMJJHUJWRDX-QMMMGPOBSA-N -1 1 307.314 0.990 20 5 DCBDMM Cn1[n-]c(COC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)nc1=O ZINC000765389378 668487405 /nfs/dbraw/zinc/48/74/05/668487405.db2.gz KYHSLGLAASICHM-DAXSKMNVSA-N -1 1 304.262 0.773 20 5 DCBDMM Cn1[n-]c(COC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nc1=O ZINC000765436580 668491042 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310.310 0.730 20 5 DCBDMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000833627263 605100618 /nfs/dbraw/zinc/10/06/18/605100618.db2.gz VUFJJFFLHSJMAL-VIFPVBQESA-N -1 1 310.310 0.544 20 5 DCBDMM CC[C@H](C)[C@@H](O)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820864353 606709167 /nfs/dbraw/zinc/70/91/67/606709167.db2.gz YNBOADGEIGEEPW-CBAPKCEASA-N -1 1 307.314 0.989 20 5 DCBDMM CC[C@H](C)[C@@H](O)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820864353 606709168 /nfs/dbraw/zinc/70/91/68/606709168.db2.gz YNBOADGEIGEEPW-CBAPKCEASA-N -1 1 307.314 0.989 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(CCO)CC1 ZINC000823620471 606709213 /nfs/dbraw/zinc/70/92/13/606709213.db2.gz LHNFBIBMOWKSKS-UHFFFAOYSA-N -1 1 319.325 0.769 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(CCO)CC1 ZINC000823620471 606709214 /nfs/dbraw/zinc/70/92/14/606709214.db2.gz LHNFBIBMOWKSKS-UHFFFAOYSA-N -1 1 319.325 0.769 20 5 DCBDMM CC(C)[C@@](C)(O)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820016516 606709440 /nfs/dbraw/zinc/70/94/40/606709440.db2.gz NHYFBETTWRYTPK-LBPRGKRZSA-N -1 1 307.314 0.989 20 5 DCBDMM CC(C)[C@@](C)(O)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820016516 606709442 /nfs/dbraw/zinc/70/94/42/606709442.db2.gz NHYFBETTWRYTPK-LBPRGKRZSA-N -1 1 307.314 0.989 20 5 DCBDMM O=C1OCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000728291756 662374891 /nfs/dbraw/zinc/37/48/91/662374891.db2.gz KDMMPVNVECBSDV-ZETCQYMHSA-N -1 1 304.255 0.328 20 5 DCBDMM Cc1c(C(=O)[N-]N2CCOC2=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000862699238 667071595 /nfs/dbraw/zinc/07/15/95/667071595.db2.gz HDKFXASXKFRQDZ-UHFFFAOYSA-N -1 1 310.222 0.908 20 5 DCBDMM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c1 ZINC000737369515 667599006 /nfs/dbraw/zinc/59/90/06/667599006.db2.gz VRQNLBVZBKJUIV-NSHDSACASA-N -1 1 318.293 0.630 20 5 DCBDMM Cn1ncc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000805100927 668094605 /nfs/dbraw/zinc/09/46/05/668094605.db2.gz OGPXWSYPYDZAAL-UHFFFAOYSA-N -1 1 303.325 0.263 20 5 DCBDMM COc1ccc(CC(=O)OCc2nc(=O)n(C)[n-]2)cc1[N+](=O)[O-] ZINC000765465813 668493983 /nfs/dbraw/zinc/49/39/83/668493983.db2.gz UHJRWDKXJDAYHM-UHFFFAOYSA-N -1 1 322.277 0.311 20 5 DCBDMM O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cn[n-]n1 ZINC000805607260 668899355 /nfs/dbraw/zinc/89/93/55/668899355.db2.gz ILJYRGJHEAEROV-LLVKDONJSA-N -1 1 317.261 0.675 20 5 DCBDMM O=C(OCc1nnnn1C1CC1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780071732 668963554 /nfs/dbraw/zinc/96/35/54/668963554.db2.gz KGIJJTPVRLTCNY-UHFFFAOYSA-N -1 1 305.250 0.979 20 5 DCBDMM Nc1ccc([N+](=O)[O-])cc1C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000786996623 669346944 /nfs/dbraw/zinc/34/69/44/669346944.db2.gz JVXZVBXKHAPWPV-UHFFFAOYSA-N -1 1 317.309 0.889 20 5 DCBDMM Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000787141967 669353577 /nfs/dbraw/zinc/35/35/77/669353577.db2.gz SZALGMDETHKTCS-MRVPVSSYSA-N -1 1 317.309 0.710 20 5 DCBDMM Cc1nc([N+](=O)[O-])cn1CC(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000791285878 669601311 /nfs/dbraw/zinc/60/13/11/669601311.db2.gz JUPOODKCOMFSMV-UHFFFAOYSA-N -1 1 315.293 0.394 20 5 DCBDMM C[C@H](O)C1([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000851831186 671042873 /nfs/dbraw/zinc/04/28/73/671042873.db2.gz OWELXEOMGURXCV-ZETCQYMHSA-N -1 1 304.299 0.926 20 5 DCBDMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000827375512 671525540 /nfs/dbraw/zinc/52/55/40/671525540.db2.gz YDCZKRHCDLENBH-VIFPVBQESA-N -1 1 310.310 0.544 20 5 DCBDMM Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CC2[N+](=O)[O-])c(C)c1 ZINC000842344114 672006994 /nfs/dbraw/zinc/00/69/94/672006994.db2.gz FLGPIPNGKREZJR-VXGBXAGGSA-N -1 1 312.347 0.915 20 5 DCBDMM CCc1nnc(Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)s1 ZINC001578703689 1165088475 /nfs/dbraw/zinc/08/84/75/1165088475.db2.gz ROQOXEIYDFUVCB-UHFFFAOYSA-N -1 1 307.299 0.434 20 5 DCBDMM O=[N+]([O-])c1cn(Cc2nc(C3CCC3)no2)nc1-c1nn[n-]n1 ZINC001582804786 1166085739 /nfs/dbraw/zinc/08/57/39/1166085739.db2.gz LZXVAGKWAXMGQZ-UHFFFAOYSA-N -1 1 317.269 0.670 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@@H](O)[C@H](F)C1 ZINC001582802218 1166086240 /nfs/dbraw/zinc/08/62/40/1166086240.db2.gz MCKCKGVGIPHBTQ-HTQZYQBOSA-N -1 1 309.261 0.079 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@@H](O)[C@H](F)C1 ZINC001582802218 1166086242 /nfs/dbraw/zinc/08/62/42/1166086242.db2.gz MCKCKGVGIPHBTQ-HTQZYQBOSA-N -1 1 309.261 0.079 20 5 DCBDMM C[C@@H](O)[C@@H]1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001589995950 1166743201 /nfs/dbraw/zinc/74/32/01/1166743201.db2.gz NTSQCAZNAAHKLP-HTQZYQBOSA-N -1 1 319.325 0.564 20 5 DCBDMM C[C@@H](O)[C@@H]1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001589995950 1166743206 /nfs/dbraw/zinc/74/32/06/1166743206.db2.gz NTSQCAZNAAHKLP-HTQZYQBOSA-N -1 1 319.325 0.564 20 5 DCBDMM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC(=O)N1 ZINC001590313179 1166857475 /nfs/dbraw/zinc/85/74/75/1166857475.db2.gz CCMFCPHWPHLFFB-SSDOTTSWSA-N -1 1 303.282 0.100 20 5 DCBDMM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC(=O)N1 ZINC001590313179 1166857481 /nfs/dbraw/zinc/85/74/81/1166857481.db2.gz CCMFCPHWPHLFFB-SSDOTTSWSA-N -1 1 303.282 0.100 20 5 DCBDMM CC[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@@H]1O ZINC001590522552 1166934765 /nfs/dbraw/zinc/93/47/65/1166934765.db2.gz RDFQYLLEMYQJCD-UFBFGSQYSA-N -1 1 304.310 0.982 20 5 DCBDMM CC[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@@H]1O ZINC001590522552 1166934773 /nfs/dbraw/zinc/93/47/73/1166934773.db2.gz RDFQYLLEMYQJCD-UFBFGSQYSA-N -1 1 304.310 0.982 20 5 DCBDMM CCCCNC(=O)[C@H](C)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001590602591 1166949960 /nfs/dbraw/zinc/94/99/60/1166949960.db2.gz QGLUYHGKRPOXOX-ZETCQYMHSA-N -1 1 308.302 0.449 20 5 DCBDMM CCOC(=O)[C@@H](C(C)C)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001590748853 1167003699 /nfs/dbraw/zinc/00/36/99/1167003699.db2.gz RCHAEWMXTJUXQH-SECBINFHSA-N -1 1 309.286 0.732 20 5 DCBDMM CN1CCOC[C@H]1CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591194947 1167146561 /nfs/dbraw/zinc/14/65/61/1167146561.db2.gz NLCVVKQNJXJOHE-SNVBAGLBSA-N -1 1 319.325 0.517 20 5 DCBDMM Cc1cc(NCCn2cnc(-c3nn[n-]n3)n2)c([N+](=O)[O-])s1 ZINC001592050724 1167445877 /nfs/dbraw/zinc/44/58/77/1167445877.db2.gz CSIAJMRFZPKTIR-UHFFFAOYSA-N -1 1 321.326 0.848 20 5 DCBDMM Cc1ncc([N+](=O)[O-])n1CCOc1cccnc1-c1nnn[n-]1 ZINC001592412052 1167515685 /nfs/dbraw/zinc/51/56/85/1167515685.db2.gz BPVQPWPVQINVIY-UHFFFAOYSA-N -1 1 316.281 0.754 20 5 DCBDMM Cc1ncc([N+](=O)[O-])n1CCOc1cccnc1-c1nn[n-]n1 ZINC001592412052 1167515691 /nfs/dbraw/zinc/51/56/91/1167515691.db2.gz BPVQPWPVQINVIY-UHFFFAOYSA-N -1 1 316.281 0.754 20 5 DCBDMM O=[N+]([O-])c1c(N[C@@H]2C[C@@H](O)[C@@H](O)C2)cccc1-c1nnn[n-]1 ZINC001593469438 1167859333 /nfs/dbraw/zinc/85/93/33/1167859333.db2.gz QNETWILGKDPAQX-JDBBZGQPSA-N -1 1 306.282 0.071 20 5 DCBDMM O=[N+]([O-])c1c(N[C@@H]2C[C@@H](O)[C@@H](O)C2)cccc1-c1nn[n-]n1 ZINC001593469438 1167859341 /nfs/dbraw/zinc/85/93/41/1167859341.db2.gz QNETWILGKDPAQX-JDBBZGQPSA-N -1 1 306.282 0.071 20 5 DCBDMM O=[N+]([O-])c1cc(NCCOCCCO)ccc1-c1nn[n-]n1 ZINC001593473662 1167863218 /nfs/dbraw/zinc/86/32/18/1167863218.db2.gz JEFZRWIEHDVAKB-UHFFFAOYSA-N -1 1 308.298 0.586 20 5 DCBDMM O=[N+]([O-])c1ccc2[nH]c(Cn3ccnc3-c3nnn[n-]3)nc2c1 ZINC001593479538 1167869026 /nfs/dbraw/zinc/86/90/26/1167869026.db2.gz JNAZTYZNKCIAMY-UHFFFAOYSA-N -1 1 311.265 0.896 20 5 DCBDMM O=[N+]([O-])c1ccc2[nH]c(Cn3ccnc3-c3nn[n-]n3)nc2c1 ZINC001593479538 1167869035 /nfs/dbraw/zinc/86/90/35/1167869035.db2.gz JNAZTYZNKCIAMY-UHFFFAOYSA-N -1 1 311.265 0.896 20 5 DCBDMM O=C([O-])CCCONC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001601995826 1168954833 /nfs/dbraw/zinc/95/48/33/1168954833.db2.gz AEGXVTWWSAZACL-UHFFFAOYSA-N -1 1 308.250 0.997 20 5 DCBDMM O=C([O-])[C@@H]1CC[C@H](C(=O)OCc2cc(O)ccc2[N+](=O)[O-])O1 ZINC001602178619 1169018334 /nfs/dbraw/zinc/01/83/34/1169018334.db2.gz YKYQVQANZZBHPG-WDEREUQCSA-N -1 1 311.246 0.976 20 5 DCBDMM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H]1c1ccc(O)cc1 ZINC001602185568 1169020433 /nfs/dbraw/zinc/02/04/33/1169020433.db2.gz PQHPKEDUVWDAPZ-YVECIDJPSA-N -1 1 320.301 0.684 20 5 DCBDMM C[C@@H](O)C[C@@H](C)Nc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001603695119 1169358800 /nfs/dbraw/zinc/35/88/00/1169358800.db2.gz HYGRUAIBBGDDIY-RNFRBKRXSA-N -1 1 307.314 0.928 20 5 DCBDMM C[C@@H](O)C[C@@H](C)Nc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001603695119 1169358807 /nfs/dbraw/zinc/35/88/07/1169358807.db2.gz HYGRUAIBBGDDIY-RNFRBKRXSA-N -1 1 307.314 0.928 20 5 DCBDMM CC1(C(N)=O)CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001603754957 1169379754 /nfs/dbraw/zinc/37/97/54/1169379754.db2.gz HVPGKZNLXQZWDF-UHFFFAOYSA-N -1 1 303.282 0.087 20 5 DCBDMM CC1(C(N)=O)CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001603754957 1169379760 /nfs/dbraw/zinc/37/97/60/1169379760.db2.gz HVPGKZNLXQZWDF-UHFFFAOYSA-N -1 1 303.282 0.087 20 5 DCBDMM C[C@H]1CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@H](CO)O1 ZINC001603939459 1169444501 /nfs/dbraw/zinc/44/45/01/1169444501.db2.gz LXKBBCALYDGGQP-IUCAKERBSA-N -1 1 320.309 0.361 20 5 DCBDMM C[C@H]1CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@H](CO)O1 ZINC001603939459 1169444502 /nfs/dbraw/zinc/44/45/02/1169444502.db2.gz LXKBBCALYDGGQP-IUCAKERBSA-N -1 1 320.309 0.361 20 5 DCBDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC001606222574 1170121025 /nfs/dbraw/zinc/12/10/25/1170121025.db2.gz LIQKAUOUMWIGCI-UHFFFAOYSA-N -1 1 320.294 0.822 20 5 DCBDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC001606222574 1170121028 /nfs/dbraw/zinc/12/10/28/1170121028.db2.gz LIQKAUOUMWIGCI-UHFFFAOYSA-N -1 1 320.294 0.822 20 5 DCBDMM O=c1c(-c2nn[n-]n2)cn(CCO)c2ccc([N+](=O)[O-])cc12 ZINC001607091944 1170388348 /nfs/dbraw/zinc/38/83/48/1170388348.db2.gz NRDOPZFCDMNRMX-UHFFFAOYSA-N -1 1 302.250 0.082 20 5 DCBDMM NC(=O)c1ccc(CN2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c([N+](=O)[O-])c1 ZINC001608244092 1170627820 /nfs/dbraw/zinc/62/78/20/1170627820.db2.gz CYIOUMYMPPPVAF-IAZYJMLFSA-N -1 1 305.290 0.456 20 5 DCBDMM C[C@@]1(O)CCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001609150636 1170829115 /nfs/dbraw/zinc/82/91/15/1170829115.db2.gz JONWNHXPKQXKLW-GFCCVEGCSA-N -1 1 305.298 0.318 20 5 DCBDMM C[C@@]1(O)CCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001609150636 1170829117 /nfs/dbraw/zinc/82/91/17/1170829117.db2.gz JONWNHXPKQXKLW-GFCCVEGCSA-N -1 1 305.298 0.318 20 5 DCBDMM C[C@@]1(O)CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001609150610 1170829280 /nfs/dbraw/zinc/82/92/80/1170829280.db2.gz IGDOVYUDRNSPQF-CYBMUJFWSA-N -1 1 319.325 0.911 20 5 DCBDMM C[C@@]1(O)CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001609150610 1170829285 /nfs/dbraw/zinc/82/92/85/1170829285.db2.gz IGDOVYUDRNSPQF-CYBMUJFWSA-N -1 1 319.325 0.911 20 5 DCBDMM C[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC[C@@H]1O ZINC001609176284 1170847433 /nfs/dbraw/zinc/84/74/33/1170847433.db2.gz QIONDGGTLCFZLI-APPZFPTMSA-N -1 1 305.298 0.377 20 5 DCBDMM 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1166611305 /nfs/dbraw/zinc/61/13/05/1166611305.db2.gz TUYOJTZXAVABLT-UHFFFAOYSA-N -1 1 311.327 0.775 20 5 DCBDMM C[C@@H]1C(=O)NCCN1c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590164120 1166794988 /nfs/dbraw/zinc/79/49/88/1166794988.db2.gz ATIAKDNWOVSADD-RXMQYKEDSA-N -1 1 309.311 0.161 20 5 DCBDMM C[C@@H]1C(=O)NCCN1c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590164120 1166794993 /nfs/dbraw/zinc/79/49/93/1166794993.db2.gz ATIAKDNWOVSADD-RXMQYKEDSA-N -1 1 309.311 0.161 20 5 DCBDMM C[C@@H]1C(=O)N(C)CN1c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590165249 1166795561 /nfs/dbraw/zinc/79/55/61/1166795561.db2.gz XWIABWHVBFALGK-SSDOTTSWSA-N -1 1 303.282 0.399 20 5 DCBDMM C[C@@H]1C(=O)N(C)CN1c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590165249 1166795571 /nfs/dbraw/zinc/79/55/71/1166795571.db2.gz XWIABWHVBFALGK-SSDOTTSWSA-N -1 1 303.282 0.399 20 5 DCBDMM CC[C@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)C(=O)NC ZINC001590474056 1166920067 /nfs/dbraw/zinc/92/00/67/1166920067.db2.gz WKAQYWDRSYNVGZ-VIFPVBQESA-N -1 1 305.298 0.711 20 5 DCBDMM CC[C@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)C(=O)NC ZINC001590474056 1166920072 /nfs/dbraw/zinc/92/00/72/1166920072.db2.gz WKAQYWDRSYNVGZ-VIFPVBQESA-N -1 1 305.298 0.711 20 5 DCBDMM CCCc1nc(Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)no1 ZINC001590661567 1166963522 /nfs/dbraw/zinc/96/35/22/1166963522.db2.gz LNEXKBFHZIBMIV-UHFFFAOYSA-N -1 1 305.258 0.355 20 5 DCBDMM CNC(=O)C(C)(C)CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591198041 1167147751 /nfs/dbraw/zinc/14/77/51/1167147751.db2.gz FQPDNMRZCIUQHY-UHFFFAOYSA-N -1 1 319.325 0.959 20 5 DCBDMM CNC(=O)C(C)(C)CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591198041 1167147754 /nfs/dbraw/zinc/14/77/54/1167147754.db2.gz FQPDNMRZCIUQHY-UHFFFAOYSA-N -1 1 319.325 0.959 20 5 DCBDMM CO[C@@H](C)CN(C)c1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591323087 1167215208 /nfs/dbraw/zinc/21/52/08/1167215208.db2.gz NBUVEXKUAAULNR-ZETCQYMHSA-N -1 1 307.314 0.828 20 5 DCBDMM CO[C@@H](C)CN(C)c1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591323087 1167215214 /nfs/dbraw/zinc/21/52/14/1167215214.db2.gz NBUVEXKUAAULNR-ZETCQYMHSA-N -1 1 307.314 0.828 20 5 DCBDMM COc1nscc1Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001591671784 1167348400 /nfs/dbraw/zinc/34/84/00/1167348400.db2.gz ZQGFQYHIMAKTQX-UHFFFAOYSA-N -1 1 308.283 0.485 20 5 DCBDMM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)C(=O)N(C)C ZINC001591771029 1167371575 /nfs/dbraw/zinc/37/15/75/1167371575.db2.gz RGCZYJYKCXVQDC-ZETCQYMHSA-N -1 1 305.298 0.664 20 5 DCBDMM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)C(=O)N(C)C ZINC001591771029 1167371580 /nfs/dbraw/zinc/37/15/80/1167371580.db2.gz RGCZYJYKCXVQDC-ZETCQYMHSA-N -1 1 305.298 0.664 20 5 DCBDMM Cc1cccc(NCCn2cnc(-c3nn[n-]n3)n2)c1[N+](=O)[O-] ZINC001592235407 1167477985 /nfs/dbraw/zinc/47/79/85/1167477985.db2.gz MBQCWDWULQSWAC-UHFFFAOYSA-N -1 1 315.297 0.787 20 5 DCBDMM O=[N+]([O-])c1c(NCCn2cncn2)cccc1-c1nnn[n-]1 ZINC001593468246 1167856896 /nfs/dbraw/zinc/85/68/96/1167856896.db2.gz BCTZRTLVNDBLNU-UHFFFAOYSA-N -1 1 301.270 0.479 20 5 DCBDMM O=[N+]([O-])c1c(NCCn2cncn2)cccc1-c1nn[n-]n1 ZINC001593468246 1167856906 /nfs/dbraw/zinc/85/69/06/1167856906.db2.gz BCTZRTLVNDBLNU-UHFFFAOYSA-N -1 1 301.270 0.479 20 5 DCBDMM O=[N+]([O-])c1cc(N2C[C@@H]3COC[C@@H]3C2)ccc1-c1nn[n-]n1 ZINC001593473570 1167862502 /nfs/dbraw/zinc/86/25/02/1167862502.db2.gz IRSXNFUTBFFDRN-DTORHVGOSA-N -1 1 302.294 0.858 20 5 DCBDMM Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001600487949 1168191854 /nfs/dbraw/zinc/19/18/54/1168191854.db2.gz XJFVPDSUTZHVII-NSHDSACASA-N -1 1 321.333 0.992 20 5 DCBDMM Cc1noc(CN2CCN(CCC(=O)[O-])C[C@H]2C)c1[N+](=O)[O-] ZINC001600813281 1168341648 /nfs/dbraw/zinc/34/16/48/1168341648.db2.gz VPNYUEMWZNYSHX-SECBINFHSA-N -1 1 312.326 0.872 20 5 DCBDMM O=C([O-])CC1(NS(=O)(=O)c2ncccc2[N+](=O)[O-])CCC1 ZINC001601938262 1168940037 /nfs/dbraw/zinc/94/00/37/1168940037.db2.gz HRRXVNQYNVBTRQ-UHFFFAOYSA-N -1 1 315.307 0.666 20 5 DCBDMM O=C([O-])[C@]1(O)CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC001602630291 1169135954 /nfs/dbraw/zinc/13/59/54/1169135954.db2.gz DIIRWHUKSYCTQU-ZDUSSCGKSA-N -1 1 320.261 0.133 20 5 DCBDMM CC(=O)NCCN(C)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001602947721 1169218917 /nfs/dbraw/zinc/21/89/17/1169218917.db2.gz SXTRGMXPXMFIRU-UHFFFAOYSA-N -1 1 305.298 0.347 20 5 DCBDMM CC(=O)NCCN(C)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001602947721 1169218921 /nfs/dbraw/zinc/21/89/21/1169218921.db2.gz SXTRGMXPXMFIRU-UHFFFAOYSA-N -1 1 305.298 0.347 20 5 DCBDMM C[C@H](CCCO)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001603477350 1169309303 /nfs/dbraw/zinc/30/93/03/1169309303.db2.gz OWEIDOJMIBLXPS-MRVPVSSYSA-N -1 1 307.314 0.990 20 5 DCBDMM C[C@H](CCCO)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001603477350 1169309305 /nfs/dbraw/zinc/30/93/05/1169309305.db2.gz OWEIDOJMIBLXPS-MRVPVSSYSA-N -1 1 307.314 0.990 20 5 DCBDMM C[C@H](C[S@](C)=O)N(C)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001603572019 1169327190 /nfs/dbraw/zinc/32/71/90/1169327190.db2.gz LEILFQMAXWLMLF-PJLCYMMNSA-N 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ZINC001607045701 1170365655 /nfs/dbraw/zinc/36/56/55/1170365655.db2.gz IQQHVQGTZPRSCC-UHFFFAOYSA-N -1 1 309.311 0.163 20 5 DCBDMM O=C1CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCN1 ZINC001607045701 1170365659 /nfs/dbraw/zinc/36/56/59/1170365659.db2.gz IQQHVQGTZPRSCC-UHFFFAOYSA-N -1 1 309.311 0.163 20 5 DCBDMM O=C1CC[C@@H](CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])N1 ZINC001607045203 1170367075 /nfs/dbraw/zinc/36/70/75/1170367075.db2.gz ALJUMCYSOYKRDM-ZETCQYMHSA-N -1 1 303.282 0.465 20 5 DCBDMM O=C1CC[C@@H](CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])N1 ZINC001607045203 1170367081 /nfs/dbraw/zinc/36/70/81/1170367081.db2.gz ALJUMCYSOYKRDM-ZETCQYMHSA-N -1 1 303.282 0.465 20 5 DCBDMM O=[N+]([O-])c1ccc(-c2nn[n-]n2)c(S(=O)(=O)NCCF)c1 ZINC001607080576 1170381687 /nfs/dbraw/zinc/38/16/87/1170381687.db2.gz XBBDXSBDFROSQI-UHFFFAOYSA-N -1 1 316.274 0.023 20 5 DCBDMM COC(=O)N1CC(Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001609300495 1170922206 /nfs/dbraw/zinc/92/22/06/1170922206.db2.gz SQFWJWZTKWEJGH-UHFFFAOYSA-N -1 1 319.281 0.637 20 5 DCBDMM O=[N+]([O-])c1c(NCCN2CCOCC2)cccc1-c1nnn[n-]1 ZINC001609600177 1171038923 /nfs/dbraw/zinc/03/89/23/1171038923.db2.gz UUACBGOJVOCCLW-UHFFFAOYSA-N -1 1 319.325 0.519 20 5 DCBDMM O=[N+]([O-])c1c(NCCN2CCOCC2)cccc1-c1nn[n-]n1 ZINC001609600177 1171038931 /nfs/dbraw/zinc/03/89/31/1171038931.db2.gz UUACBGOJVOCCLW-UHFFFAOYSA-N -1 1 319.325 0.519 20 5 DCBDMM O=[N+]([O-])c1cc(N2CCSC[C@H]2CO)ccc1-c1nn[n-]n1 ZINC001609601189 1171039582 /nfs/dbraw/zinc/03/95/82/1171039582.db2.gz RHFLEAJCRVGERA-SECBINFHSA-N -1 1 322.350 0.689 20 5 DCBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC(N2CCCC2=O)C1 ZINC001611670867 1171358567 /nfs/dbraw/zinc/35/85/67/1171358567.db2.gz AHHDTNKXULDTQA-UHFFFAOYSA-N -1 1 306.278 0.142 20 5 DCBDMM COC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1nn[n-]n1 ZINC001634622335 1171681582 /nfs/dbraw/zinc/68/15/82/1171681582.db2.gz PCCKBDRZCDVJSV-SECBINFHSA-N -1 1 310.245 0.365 20 5 DCBDMM C[C@H]1C[C@H]([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C(=O)O1 ZINC001655509163 1173822004 /nfs/dbraw/zinc/82/20/04/1173822004.db2.gz AVYVZOJMOSWXCT-WPRPVWTQSA-N -1 1 314.319 0.718 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-]CCc2cnoc2)c([N+](=O)[O-])n1 ZINC001656712250 1173877903 /nfs/dbraw/zinc/87/79/03/1173877903.db2.gz FHEWNJMFEGSMHQ-UHFFFAOYSA-N -1 1 315.311 0.320 20 5 DCBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCNC2=O)cc1F ZINC001663324334 1174286705 /nfs/dbraw/zinc/28/67/05/1174286705.db2.gz VHVKJYHUHRFZHT-QMMMGPOBSA-N -1 1 317.298 0.209 20 5 DCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H](CO)c1cccnc1 ZINC001665024345 1174474615 /nfs/dbraw/zinc/47/46/15/1174474615.db2.gz HQDLOFVSFUIHQY-JTQLQIEISA-N -1 1 324.318 0.397 20 5 DCBDMM Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)n1 ZINC001153000407 769690939 /nfs/dbraw/zinc/69/09/39/769690939.db2.gz DAJUQWMDELNZJN-MRVPVSSYSA-N -1 1 303.282 0.441 20 5 DCBDMM Cc1nnc2n1CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]2C ZINC001160138619 772000525 /nfs/dbraw/zinc/00/05/25/772000525.db2.gz YXZMECVMZGBIEB-ZETCQYMHSA-N -1 1 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5 DCBDMM C[C@@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@H](C)C1=O ZINC001591750648 1167365605 /nfs/dbraw/zinc/36/56/05/1167365605.db2.gz ZTARWUUBSHJDFU-HTQZYQBOSA-N -1 1 317.309 0.831 20 5 DCBDMM Cc1cc(-c2nnn[n-]2)nc(-n2ccc(=O)c([N+](=O)[O-])c2)n1 ZINC001591883086 1167409547 /nfs/dbraw/zinc/40/95/47/1167409547.db2.gz RHPODUWWERJOSP-UHFFFAOYSA-N -1 1 300.238 0.024 20 5 DCBDMM Cc1cc(-c2nn[n-]n2)nc(-n2ccc(=O)c([N+](=O)[O-])c2)n1 ZINC001591883086 1167409549 /nfs/dbraw/zinc/40/95/49/1167409549.db2.gz RHPODUWWERJOSP-UHFFFAOYSA-N -1 1 300.238 0.024 20 5 DCBDMM Cc1ccc([N+](=O)[O-])c(NCCn2cnc(-c3nn[n-]n3)n2)c1 ZINC001592198022 1167476152 /nfs/dbraw/zinc/47/61/52/1167476152.db2.gz UBZMLUZXNPZPSQ-UHFFFAOYSA-N -1 1 315.297 0.787 20 5 DCBDMM NC(=O)CCSc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592728014 1167617627 /nfs/dbraw/zinc/61/76/27/1167617627.db2.gz IENWOXJVJJAHQF-UHFFFAOYSA-N -1 1 312.286 0.882 20 5 DCBDMM O=C1C[C@@H](CCNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CN1 ZINC001593386774 1167799250 /nfs/dbraw/zinc/79/92/50/1167799250.db2.gz ZQNZGOQCKWKRIP-MRVPVSSYSA-N -1 1 317.309 0.713 20 5 DCBDMM O=C1C[C@@H](CCNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CN1 ZINC001593386774 1167799259 /nfs/dbraw/zinc/79/92/59/1167799259.db2.gz ZQNZGOQCKWKRIP-MRVPVSSYSA-N -1 1 317.309 0.713 20 5 DCBDMM O=[N+]([O-])c1cc(NC2COCCOC2)ccc1-c1nn[n-]n1 ZINC001593474538 1167860548 /nfs/dbraw/zinc/86/05/48/1167860548.db2.gz SAKWSSVSMCVCQE-UHFFFAOYSA-N -1 1 306.282 0.602 20 5 DCBDMM O=[N+]([O-])c1ccc(NC[C@H](O)[C@H]2CCCO2)cc1-c1nnn[n-]1 ZINC001593478196 1167863758 /nfs/dbraw/zinc/86/37/58/1167863758.db2.gz RAHJHHRGOUOTPV-NWDGAFQWSA-N -1 1 320.309 0.727 20 5 DCBDMM O=[N+]([O-])c1ccc(NC[C@H](O)[C@H]2CCCO2)cc1-c1nn[n-]n1 ZINC001593478196 1167863767 /nfs/dbraw/zinc/86/37/67/1167863767.db2.gz RAHJHHRGOUOTPV-NWDGAFQWSA-N -1 1 320.309 0.727 20 5 DCBDMM O=[N+]([O-])c1cn(Cc2ccc(CO)cc2)nc1-c1nn[n-]n1 ZINC001593486064 1167869970 /nfs/dbraw/zinc/86/99/70/1167869970.db2.gz KKCTWYRRYPBKIA-UHFFFAOYSA-N -1 1 301.266 0.512 20 5 DCBDMM O=C([O-])[C@]1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCSC1 ZINC001601431813 1168745018 /nfs/dbraw/zinc/74/50/18/1168745018.db2.gz TYAFDOQWADMIOX-LBPRGKRZSA-N -1 1 312.303 0.991 20 5 DCBDMM O=C([O-])[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC001601455259 1168753456 /nfs/dbraw/zinc/75/34/56/1168753456.db2.gz PBBOQSJYYQFYGM-VIFPVBQESA-N -1 1 304.262 0.916 20 5 DCBDMM CC1(C(N)=O)CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001603755655 1169379649 /nfs/dbraw/zinc/37/96/49/1169379649.db2.gz VSJUMHUXLKOXQE-UHFFFAOYSA-N -1 1 303.282 0.087 20 5 DCBDMM CC1(C(N)=O)CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001603755655 1169379658 /nfs/dbraw/zinc/37/96/58/1169379658.db2.gz VSJUMHUXLKOXQE-UHFFFAOYSA-N -1 1 303.282 0.087 20 5 DCBDMM CNC(=O)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001604879161 1169726800 /nfs/dbraw/zinc/72/68/00/1169726800.db2.gz UJDLROOYCGGZFR-SSDOTTSWSA-N -1 1 305.298 0.711 20 5 DCBDMM CNC(=O)CCSc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001604879969 1169727828 /nfs/dbraw/zinc/72/78/28/1169727828.db2.gz PPWCDQBHBHXHKR-UHFFFAOYSA-N -1 1 309.311 0.398 20 5 DCBDMM Cn1nncc1CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001606286032 1170149187 /nfs/dbraw/zinc/14/91/87/1170149187.db2.gz FXGUSHKXOMQGQM-UHFFFAOYSA-N -1 1 301.270 0.516 20 5 DCBDMM Cn1nncc1CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001606286032 1170149193 /nfs/dbraw/zinc/14/91/93/1170149193.db2.gz FXGUSHKXOMQGQM-UHFFFAOYSA-N -1 1 301.270 0.516 20 5 DCBDMM O=C1NCCC[C@H]1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001607052904 1170372920 /nfs/dbraw/zinc/37/29/20/1170372920.db2.gz WDQVAWJOELRUCK-ZETCQYMHSA-N -1 1 318.297 0.108 20 5 DCBDMM O=C1NCCC[C@H]1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001607052904 1170372922 /nfs/dbraw/zinc/37/29/22/1170372922.db2.gz WDQVAWJOELRUCK-ZETCQYMHSA-N -1 1 318.297 0.108 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCn2nncc2C1 ZINC001607076615 1170381810 /nfs/dbraw/zinc/38/18/10/1170381810.db2.gz BNJBULYHOMXUKJ-UHFFFAOYSA-N -1 1 313.281 0.387 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCn2nncc2C1 ZINC001607076615 1170381813 /nfs/dbraw/zinc/38/18/13/1170381813.db2.gz BNJBULYHOMXUKJ-UHFFFAOYSA-N -1 1 313.281 0.387 20 5 DCBDMM O=c1cc(-c2nn[n-]n2)ncn1Cc1ccc([N+](=O)[O-])cc1F ZINC001607090973 1170390388 /nfs/dbraw/zinc/39/03/88/1170390388.db2.gz FTCRKZKSIXBWOY-UHFFFAOYSA-N -1 1 317.240 0.519 20 5 DCBDMM C[C@H](CCO)CNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001609111053 1170812076 /nfs/dbraw/zinc/81/20/76/1170812076.db2.gz GKUBDZFTSHNTLL-SSDOTTSWSA-N -1 1 307.314 0.788 20 5 DCBDMM C[C@H](CCO)CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001609111053 1170812082 /nfs/dbraw/zinc/81/20/82/1170812082.db2.gz GKUBDZFTSHNTLL-SSDOTTSWSA-N -1 1 307.314 0.788 20 5 DCBDMM C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC[C@H]1O ZINC001609174681 1170844939 /nfs/dbraw/zinc/84/49/39/1170844939.db2.gz BZWDRPPGSMYWOR-RDDDGLTNSA-N -1 1 319.325 0.564 20 5 DCBDMM C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC[C@H]1O ZINC001609174681 1170844943 /nfs/dbraw/zinc/84/49/43/1170844943.db2.gz BZWDRPPGSMYWOR-RDDDGLTNSA-N -1 1 319.325 0.564 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC2(C1)CCOC2 ZINC001609599605 1171037492 /nfs/dbraw/zinc/03/74/92/1171037492.db2.gz NPMFWUVGAZOLOB-UHFFFAOYSA-N -1 1 303.282 0.397 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC2(C1)CCOC2 ZINC001609599605 1171037501 /nfs/dbraw/zinc/03/75/01/1171037501.db2.gz NPMFWUVGAZOLOB-UHFFFAOYSA-N -1 1 303.282 0.397 20 5 DCBDMM C[C@H]1C(=O)N([N-]C(=O)c2ccc([N+](=O)[O-])c(O)c2)C(=O)N1C ZINC001629880742 1171560056 /nfs/dbraw/zinc/56/00/56/1171560056.db2.gz RHTXXOHLEBUPTF-LURJTMIESA-N -1 1 308.250 0.228 20 5 DCBDMM O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001635090951 1171693196 /nfs/dbraw/zinc/69/31/96/1171693196.db2.gz QXLMIDAWFAAQRD-SNVBAGLBSA-N -1 1 322.256 0.461 20 5 DCBDMM C[S@](=O)[C@H]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC001639104295 1171821418 /nfs/dbraw/zinc/82/14/18/1171821418.db2.gz CXLUNELPBZPXBW-UBCGGRBMSA-N -1 1 313.335 0.725 20 5 DCBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)CC(N)=O)cc1F ZINC001211878224 748987194 /nfs/dbraw/zinc/98/71/94/748987194.db2.gz IKYPCWDGZBVXLW-ZETCQYMHSA-N -1 1 319.314 0.585 20 5 DCBDMM CNc1ccc([N+](=O)[O-])cc1C(=O)OCc1nc(=O)n(C)[n-]1 ZINC001116630261 765890178 /nfs/dbraw/zinc/89/01/78/765890178.db2.gz WQVPONRPGQMKJE-UHFFFAOYSA-N -1 1 307.266 0.415 20 5 DCBDMM O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001175552763 769925138 /nfs/dbraw/zinc/92/51/38/769925138.db2.gz LWXHBNGWLNJWSL-JTQLQIEISA-N -1 1 302.294 0.667 20 5 DCBDMM Cc1c([N+](=O)[O-])cc[n+]([O-])c1Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001159198402 771875874 /nfs/dbraw/zinc/87/58/74/771875874.db2.gz OQUIGHWKNWLDAZ-UHFFFAOYSA-N -1 1 303.238 0.652 20 5 DCBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CC12CC(O)C2 ZINC001195304445 773373153 /nfs/dbraw/zinc/37/31/53/773373153.db2.gz TXIFPEQCBTXMBX-VPHNTROTSA-N -1 1 316.310 0.926 20 5 DCBDMM COC(=O)CN1C[C@H](Oc2cc([N+](=O)[O-])c(C)cc2[O-])CC1=O ZINC001229754413 776222667 /nfs/dbraw/zinc/22/26/67/776222667.db2.gz OWAXBHOXWGDDLX-SECBINFHSA-N -1 1 324.289 0.762 20 5 DCBDMM CC(=O)N(C)C1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC001318203414 945289288 /nfs/dbraw/zinc/28/92/88/945289288.db2.gz UFBZYUINNMXFDH-UHFFFAOYSA-N -1 1 322.321 0.778 20 5 DCBDMM COC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)c1nn[n-]n1 ZINC001303579115 960056605 /nfs/dbraw/zinc/05/66/05/960056605.db2.gz WNGSRSPJNXUEIU-SECBINFHSA-N -1 1 306.282 0.534 20 5 DCBDMM COC(=O)/C=C/[C@@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC001309960025 960215556 /nfs/dbraw/zinc/21/55/56/960215556.db2.gz OUHSHSZYWIWOSG-HQZHTGGTSA-N -1 1 315.307 0.386 20 5 DCBDMM CCO[C@H]1C[C@](NC(=O)[C@@H]2CC2[N+](=O)[O-])(C(=O)[O-])C1(C)C ZINC001596824796 985429528 /nfs/dbraw/zinc/42/95/28/985429528.db2.gz XNFQIPLBGUKAOP-SKNMHBRKSA-N -1 1 300.311 0.426 20 5 DCBDMM C[N@H+]1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@@H](C(=O)[O-])C1 ZINC001598609718 993744106 /nfs/dbraw/zinc/74/41/06/993744106.db2.gz FNEJCQXMQDBQOV-JTQLQIEISA-N -1 1 323.305 0.389 20 5 DCBDMM O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCSC[C@H]1c1nn[n-]n1 ZINC001467283293 1016153340 /nfs/dbraw/zinc/15/33/40/1016153340.db2.gz UEWFUGFABIAWAE-ZETCQYMHSA-N -1 1 309.311 0.366 20 5 DCBDMM Cn1cnc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC001562008137 1012486347 /nfs/dbraw/zinc/48/63/47/1012486347.db2.gz LSVWWVBWZLHVAR-UHFFFAOYSA-N -1 1 314.298 0.946 20 5 DCBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000274991929 212061217 /nfs/dbraw/zinc/06/12/17/212061217.db2.gz RUATYSQCPHPONO-VHSXEESVSA-N -1 1 320.305 0.579 20 5 DCBDMM CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000274972488 212050822 /nfs/dbraw/zinc/05/08/22/212050822.db2.gz NUPTVZPCVXHSME-JGVFFNPUSA-N -1 1 310.310 0.728 20 5 DCBDMM C[C@]1(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCS(=O)(=O)C1 ZINC000274880521 212004582 /nfs/dbraw/zinc/00/45/82/212004582.db2.gz IBLDJGLRAFHHOL-NSHDSACASA-N -1 1 315.307 0.002 20 5 DCBDMM CC[C@H](O)CCC[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000339041121 253024740 /nfs/dbraw/zinc/02/47/40/253024740.db2.gz KPITYTDKWQGYKJ-VIFPVBQESA-N -1 1 320.371 0.641 20 5 DCBDMM CCC[C@@H](O)C[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000339040837 253024760 /nfs/dbraw/zinc/02/47/60/253024760.db2.gz DTDPQPDRHWYEPA-MRVPVSSYSA-N -1 1 306.344 0.251 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-]CCCOC(C)C)c([N+](=O)[O-])n1 ZINC000339048824 253024964 /nfs/dbraw/zinc/02/49/64/253024964.db2.gz ZLYHEFRFKQFZIH-UHFFFAOYSA-N -1 1 320.371 0.905 20 5 DCBDMM Cc1[nH]nc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c1[N+](=O)[O-] ZINC000339288379 253053491 /nfs/dbraw/zinc/05/34/91/253053491.db2.gz AXBTZNVUCILKBN-ZETCQYMHSA-N -1 1 321.297 0.470 20 5 DCBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCS(=O)CC2)s1 ZINC000351905287 254379887 /nfs/dbraw/zinc/37/98/87/254379887.db2.gz UBHMCDQVYVEVFQ-UHFFFAOYSA-N -1 1 324.405 0.846 20 5 DCBDMM Cc1nn(C)c(N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c1[N+](=O)[O-] ZINC000285525792 131177282 /nfs/dbraw/zinc/17/72/82/131177282.db2.gz GYKXDGUBCWODBU-QMMMGPOBSA-N -1 1 307.314 0.432 20 5 DCBDMM C[C@H](CN(C)C(=O)c1c(N)cccc1[N+](=O)[O-])c1nn[n-]n1 ZINC000274819778 395978883 /nfs/dbraw/zinc/97/88/83/395978883.db2.gz XIDUICHOLQYVGZ-SSDOTTSWSA-N -1 1 305.298 0.566 20 5 DCBDMM COC(=O)[C@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@H]1C ZINC000276704025 396022348 /nfs/dbraw/zinc/02/23/48/396022348.db2.gz ZLHIFKGQPIYBPV-SCZZXKLOSA-N -1 1 323.305 0.967 20 5 DCBDMM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278131330 396107521 /nfs/dbraw/zinc/10/75/21/396107521.db2.gz MVHCCCFSJKLUEP-JSJLHDGCSA-N -1 1 313.335 0.677 20 5 DCBDMM CC(C)c1nncn1CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185693683 396333470 /nfs/dbraw/zinc/33/34/70/396333470.db2.gz MVYKGHZOTQWKIL-UHFFFAOYSA-N -1 1 320.309 0.840 20 5 DCBDMM COC[C@H](O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000269778210 396445527 /nfs/dbraw/zinc/44/55/27/396445527.db2.gz JSHXNMXENXJNMV-SSDOTTSWSA-N -1 1 324.742 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/nfs/dbraw/zinc/69/98/54/668699854.db2.gz ZKTJRQMXKUXAKK-UHFFFAOYSA-N -1 1 307.262 0.649 20 5 DCBDMM CC(C)c1[nH]nc(C(=O)OCc2nc(=O)n(C)[n-]2)c1[N+](=O)[O-] ZINC000796257675 669925506 /nfs/dbraw/zinc/92/55/06/669925506.db2.gz PTDHGWDYUNJFRN-UHFFFAOYSA-N -1 1 310.270 0.220 20 5 DCBDMM CO[C@](C)(CO)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000848466523 670687866 /nfs/dbraw/zinc/68/78/66/670687866.db2.gz DLKKUZPEBUEYEA-NSHDSACASA-N -1 1 322.314 0.410 20 5 DCBDMM O=C([N-][C@H]1CCNC1=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000853813720 671270055 /nfs/dbraw/zinc/27/00/55/671270055.db2.gz ZVPZYKVLXIXFAW-VIFPVBQESA-N -1 1 315.232 0.571 20 5 DCBDMM Cc1nnc(Sc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])n1N ZINC001581612313 1165852365 /nfs/dbraw/zinc/85/23/65/1165852365.db2.gz NBZUHJKJNKVPKW-UHFFFAOYSA-N -1 1 319.310 0.540 20 5 DCBDMM Cc1nnc(Sc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1N ZINC001581612313 1165852372 /nfs/dbraw/zinc/85/23/72/1165852372.db2.gz NBZUHJKJNKVPKW-UHFFFAOYSA-N -1 1 319.310 0.540 20 5 DCBDMM Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC001587870589 1166510872 /nfs/dbraw/zinc/51/08/72/1166510872.db2.gz XMGLQRYYQGZJOI-UHFFFAOYSA-N -1 1 305.298 0.466 20 5 DCBDMM CC1(C)[C@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@@H]1O ZINC001590076570 1166769030 /nfs/dbraw/zinc/76/90/30/1166769030.db2.gz FIJLAGGDEBONPM-ZJUUUORDSA-N -1 1 319.325 0.928 20 5 DCBDMM CC1(C)[C@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@@H]1O ZINC001590076570 1166769039 /nfs/dbraw/zinc/76/90/39/1166769039.db2.gz FIJLAGGDEBONPM-ZJUUUORDSA-N -1 1 319.325 0.928 20 5 DCBDMM C[C@]12COC[C@@H]1CN(c1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])C2 ZINC001590154886 1166791555 /nfs/dbraw/zinc/79/15/55/1166791555.db2.gz CHOACYCFOGXXCQ-SDBXPKJASA-N -1 1 317.309 0.643 20 5 DCBDMM C[C@]12COC[C@@H]1CN(c1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])C2 ZINC001590154886 1166791561 /nfs/dbraw/zinc/79/15/61/1166791561.db2.gz CHOACYCFOGXXCQ-SDBXPKJASA-N -1 1 317.309 0.643 20 5 DCBDMM CN1C[C@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1=O ZINC001591169463 1167123046 /nfs/dbraw/zinc/12/30/46/1167123046.db2.gz AFUHNECYIVYXKV-RXMQYKEDSA-N -1 1 309.311 0.479 20 5 DCBDMM CN1C[C@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1=O ZINC001591169463 1167123054 /nfs/dbraw/zinc/12/30/54/1167123054.db2.gz AFUHNECYIVYXKV-RXMQYKEDSA-N -1 1 309.311 0.479 20 5 DCBDMM C[S@](=O)CCCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591683719 1167354601 /nfs/dbraw/zinc/35/46/01/1167354601.db2.gz GWBBHMWVPZEKBK-NRFANRHFSA-N -1 1 310.339 0.955 20 5 DCBDMM Cc1cc(NC[C@@H]2CNC(=O)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592045358 1167444675 /nfs/dbraw/zinc/44/46/75/1167444675.db2.gz QOJMQEDYWOICBA-MRVPVSSYSA-N -1 1 317.309 0.631 20 5 DCBDMM Cc1cc(NC[C@@H]2CNC(=O)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592045358 1167444682 /nfs/dbraw/zinc/44/46/82/1167444682.db2.gz QOJMQEDYWOICBA-MRVPVSSYSA-N -1 1 317.309 0.631 20 5 DCBDMM Cc1nc(-c2nn[n-]n2)n(Cc2cn(C)nc2[N+](=O)[O-])c1C ZINC001592340622 1167494981 /nfs/dbraw/zinc/49/49/81/1167494981.db2.gz YRXVJKOQBKWVSI-UHFFFAOYSA-N -1 1 303.286 0.370 20 5 DCBDMM Cc1ncc([N+](=O)[O-])n1CCn1cccc(-c2nn[n-]n2)c1=O ZINC001592413508 1167516114 /nfs/dbraw/zinc/51/61/14/1167516114.db2.gz VCQCNZCWNHLMTI-UHFFFAOYSA-N -1 1 316.281 0.142 20 5 DCBDMM Nc1cc(N[C@H]2CCCOC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759594 1167635586 /nfs/dbraw/zinc/63/55/86/1167635586.db2.gz SCHSACYPCYXHMX-ZETCQYMHSA-N -1 1 305.298 0.948 20 5 DCBDMM Nc1cc(N[C@H]2CCCOC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759594 1167635594 /nfs/dbraw/zinc/63/55/94/1167635594.db2.gz SCHSACYPCYXHMX-ZETCQYMHSA-N -1 1 305.298 0.948 20 5 DCBDMM O=[N+]([O-])c1c(NCC2(CO)COC2)cccc1-c1nnn[n-]1 ZINC001593464899 1167853711 /nfs/dbraw/zinc/85/37/11/1167853711.db2.gz AIRYMPYQENZMLZ-UHFFFAOYSA-N -1 1 306.282 0.196 20 5 DCBDMM O=[N+]([O-])c1c(NCC2(CO)COC2)cccc1-c1nn[n-]n1 ZINC001593464899 1167853732 /nfs/dbraw/zinc/85/37/32/1167853732.db2.gz AIRYMPYQENZMLZ-UHFFFAOYSA-N -1 1 306.282 0.196 20 5 DCBDMM O=[N+]([O-])c1cc(NCCCn2cncn2)ccc1-c1nn[n-]n1 ZINC001593473506 1167864330 /nfs/dbraw/zinc/86/43/30/1167864330.db2.gz GEJWXUHRJACRJU-UHFFFAOYSA-N -1 1 315.297 0.869 20 5 DCBDMM O=[N+]([O-])c1ccc(NCCn2cnc(-c3nn[n-]n3)n2)s1 ZINC001593478373 1167866361 /nfs/dbraw/zinc/86/63/61/1167866361.db2.gz DFIAZVCQSZRRBH-UHFFFAOYSA-N -1 1 307.299 0.540 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CC[C@](F)(CO)C1 ZINC001593488370 1167873039 /nfs/dbraw/zinc/87/30/39/1167873039.db2.gz VXJVBUKNCCTXHH-SNVBAGLBSA-N -1 1 314.302 0.747 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CC[C@](F)(CO)C1 ZINC001593488370 1167873043 /nfs/dbraw/zinc/87/30/43/1167873043.db2.gz VXJVBUKNCCTXHH-SNVBAGLBSA-N -1 1 314.302 0.747 20 5 DCBDMM O=C([O-])C(F)(F)CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001601662629 1168807504 /nfs/dbraw/zinc/80/75/04/1168807504.db2.gz KCHDQZPHVVVQCR-UHFFFAOYSA-N -1 1 324.261 0.734 20 5 DCBDMM C[C@@H](CCCO)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001603477351 1169308048 /nfs/dbraw/zinc/30/80/48/1169308048.db2.gz OWEIDOJMIBLXPS-QMMMGPOBSA-N -1 1 307.314 0.990 20 5 DCBDMM C[C@@H](CCCO)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001603477351 1169308058 /nfs/dbraw/zinc/30/80/58/1169308058.db2.gz OWEIDOJMIBLXPS-QMMMGPOBSA-N -1 1 307.314 0.990 20 5 DCBDMM CC[C@@H](C)NC(=O)[C@@H](C)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001604006547 1169469781 /nfs/dbraw/zinc/46/97/81/1169469781.db2.gz FVQUHYGOTIAFRR-RNFRBKRXSA-N -1 1 308.302 0.447 20 5 DCBDMM CC[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@@H]1O ZINC001604111746 1169495551 /nfs/dbraw/zinc/49/55/51/1169495551.db2.gz JOTBDESNZKGQHC-CPCISQLKSA-N -1 1 319.325 0.564 20 5 DCBDMM CC[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@@H]1O ZINC001604111746 1169495554 /nfs/dbraw/zinc/49/55/54/1169495554.db2.gz JOTBDESNZKGQHC-CPCISQLKSA-N -1 1 319.325 0.564 20 5 DCBDMM CCCCc1noc(Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)n1 ZINC001604192705 1169520522 /nfs/dbraw/zinc/52/05/22/1169520522.db2.gz ZPRPMRHSVSZGDZ-UHFFFAOYSA-N -1 1 319.285 0.745 20 5 DCBDMM CN(C)C(=O)NCCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001604670796 1169647938 /nfs/dbraw/zinc/64/79/38/1169647938.db2.gz MWGDXXGFHHOPHZ-UHFFFAOYSA-N -1 1 320.313 0.458 20 5 DCBDMM CN(C)C(=O)NCCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001604670796 1169647941 /nfs/dbraw/zinc/64/79/41/1169647941.db2.gz MWGDXXGFHHOPHZ-UHFFFAOYSA-N -1 1 320.313 0.458 20 5 DCBDMM CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001605631271 1169978777 /nfs/dbraw/zinc/97/87/77/1169978777.db2.gz PFZZOMPMUDLTPA-GMTAPVOTSA-N -1 1 302.327 0.628 20 5 DCBDMM O=[N+]([O-])c1c(NC[C@@H]2COCCO2)cccc1-c1nnn[n-]1 ZINC001607078392 1170381274 /nfs/dbraw/zinc/38/12/74/1170381274.db2.gz XVWKYRQHTYDLHY-MRVPVSSYSA-N -1 1 306.282 0.602 20 5 DCBDMM O=[N+]([O-])c1c(NC[C@@H]2COCCO2)cccc1-c1nn[n-]n1 ZINC001607078392 1170381286 /nfs/dbraw/zinc/38/12/86/1170381286.db2.gz XVWKYRQHTYDLHY-MRVPVSSYSA-N -1 1 306.282 0.602 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H](O)[C@@H]1CCCO1 ZINC001607077564 1170382317 /nfs/dbraw/zinc/38/23/17/1170382317.db2.gz ZGDLPCAECJMBCI-IUCAKERBSA-N -1 1 321.297 0.122 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H](O)[C@@H]1CCCO1 ZINC001607077564 1170382321 /nfs/dbraw/zinc/38/23/21/1170382321.db2.gz ZGDLPCAECJMBCI-IUCAKERBSA-N -1 1 321.297 0.122 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CC[C@@]2(O)C[C@H]2C1 ZINC001607076972 1170382768 /nfs/dbraw/zinc/38/27/68/1170382768.db2.gz GWKLIULRKULCKV-ISVAXAHUSA-N -1 1 302.294 0.736 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CC[C@@]2(O)C[C@H]2C1 ZINC001607076972 1170382771 /nfs/dbraw/zinc/38/27/71/1170382771.db2.gz GWKLIULRKULCKV-ISVAXAHUSA-N -1 1 302.294 0.736 20 5 DCBDMM C[C@@H](CO)[C@@H](C)Nc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001609114422 1170813838 /nfs/dbraw/zinc/81/38/38/1170813838.db2.gz IIPAKKVPKXXSKR-NKWVEPMBSA-N -1 1 307.314 0.786 20 5 DCBDMM C[C@@H](CO)[C@@H](C)Nc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001609114422 1170813842 /nfs/dbraw/zinc/81/38/42/1170813842.db2.gz IIPAKKVPKXXSKR-NKWVEPMBSA-N -1 1 307.314 0.786 20 5 DCBDMM CCNC(=O)[C@@H](C)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001609229026 1170882808 /nfs/dbraw/zinc/88/28/08/1170882808.db2.gz YQDRIBOBZHJLOL-SSDOTTSWSA-N -1 1 305.298 0.711 20 5 DCBDMM CCNC(=O)[C@@H](C)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001609229026 1170882818 /nfs/dbraw/zinc/88/28/18/1170882818.db2.gz YQDRIBOBZHJLOL-SSDOTTSWSA-N -1 1 305.298 0.711 20 5 DCBDMM NC(=O)CC1(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001609502363 1171002033 /nfs/dbraw/zinc/00/20/33/1171002033.db2.gz LXHMMSUCFOJCLE-UHFFFAOYSA-N -1 1 317.309 0.842 20 5 DCBDMM NC(=O)CC1(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001609502363 1171002040 /nfs/dbraw/zinc/00/20/40/1171002040.db2.gz LXHMMSUCFOJCLE-UHFFFAOYSA-N -1 1 317.309 0.842 20 5 DCBDMM COC[C@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1C)c1nn[n-]n1 ZINC001634622439 1171681484 /nfs/dbraw/zinc/68/14/84/1171681484.db2.gz RFLIEEZEEUKITN-VIFPVBQESA-N -1 1 324.272 0.673 20 5 DCBDMM 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/nfs/dbraw/zinc/59/38/61/1174593861.db2.gz GGWNFBOYQOGHOB-DJLDLDEBSA-N -1 1 316.339 0.409 20 5 DCBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC2(CCNC2=O)CC1 ZINC001184217306 771757809 /nfs/dbraw/zinc/75/78/09/771757809.db2.gz LCHHRYIHGDXUBZ-UHFFFAOYSA-N -1 1 320.305 0.438 20 5 DCBDMM CC(=O)NCC[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001184724728 771820246 /nfs/dbraw/zinc/82/02/46/771820246.db2.gz TUVHTYKVPHEOKA-UHFFFAOYSA-N -1 1 319.314 0.457 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCCOCCCO ZINC001593488721 1167871862 /nfs/dbraw/zinc/87/18/62/1167871862.db2.gz KUWDWNXWBJRARQ-UHFFFAOYSA-N -1 1 314.327 0.647 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCCOCCCO ZINC001593488721 1167871875 /nfs/dbraw/zinc/87/18/75/1167871875.db2.gz KUWDWNXWBJRARQ-UHFFFAOYSA-N -1 1 314.327 0.647 20 5 DCBDMM C[C@H](C(=O)C1CCOCC1)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001573586754 947294154 /nfs/dbraw/zinc/29/41/54/947294154.db2.gz SIASEFVVYHSTQJ-SSDOTTSWSA-N -1 1 321.297 0.528 20 5 DCBDMM 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ZINC000189921556 524657942 /nfs/dbraw/zinc/65/79/42/524657942.db2.gz CIOMHSRLFRADGN-JLPJYYFKSA-N -1 1 301.324 0.534 20 5 DCBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CNC(=O)C2)cc1F ZINC001668449280 1174797169 /nfs/dbraw/zinc/79/71/69/1174797169.db2.gz ZUMQKWZPQCUCFA-ZETCQYMHSA-N -1 1 317.298 0.209 20 5 DCBDMM O=C1NCCCC[C@@H]1Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000826483025 607840956 /nfs/dbraw/zinc/84/09/56/607840956.db2.gz YMZWFXKSHRCTDD-JTQLQIEISA-N -1 1 317.309 0.856 20 5 DCBDMM O=C1NCCCC[C@@H]1Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000826483025 607840957 /nfs/dbraw/zinc/84/09/57/607840957.db2.gz YMZWFXKSHRCTDD-JTQLQIEISA-N -1 1 317.309 0.856 20 5 DCBDMM Cn1cc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cn1 ZINC000822681103 606701936 /nfs/dbraw/zinc/70/19/36/606701936.db2.gz SZVMWQQBKRJPIV-UHFFFAOYSA-N -1 1 301.270 0.516 20 5 DCBDMM Cn1cc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cn1 ZINC000822681103 606701938 /nfs/dbraw/zinc/70/19/38/606701938.db2.gz SZVMWQQBKRJPIV-UHFFFAOYSA-N -1 1 301.270 0.516 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@@H](CCO)C1 ZINC000823620226 606708954 /nfs/dbraw/zinc/70/89/54/606708954.db2.gz IITAJDCBCDMULW-VIFPVBQESA-N -1 1 319.325 0.769 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@@H](CCO)C1 ZINC000823620226 606708956 /nfs/dbraw/zinc/70/89/56/606708956.db2.gz IITAJDCBCDMULW-VIFPVBQESA-N -1 1 319.325 0.769 20 5 DCBDMM CN(C[C@H]1CCOC1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821597726 606715219 /nfs/dbraw/zinc/71/52/19/606715219.db2.gz FVYNLHODFXWHCW-MRVPVSSYSA-N -1 1 305.298 0.643 20 5 DCBDMM CN(C[C@H]1CCOC1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821597726 606715221 /nfs/dbraw/zinc/71/52/21/606715221.db2.gz FVYNLHODFXWHCW-MRVPVSSYSA-N -1 1 305.298 0.643 20 5 DCBDMM COC(=O)C(C)(C)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821639282 606720041 /nfs/dbraw/zinc/72/00/41/606720041.db2.gz UKWVHURNHCTJTJ-UHFFFAOYSA-N -1 1 321.297 0.781 20 5 DCBDMM COC(=O)C(C)(C)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821639282 606720042 /nfs/dbraw/zinc/72/00/42/606720042.db2.gz UKWVHURNHCTJTJ-UHFFFAOYSA-N -1 1 321.297 0.781 20 5 DCBDMM O=C1OCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000728290927 662375133 /nfs/dbraw/zinc/37/51/33/662375133.db2.gz RNGQMOCDYLYNHZ-ZETCQYMHSA-N -1 1 320.710 0.842 20 5 DCBDMM CO[C@@H]1COC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000841552429 667749315 /nfs/dbraw/zinc/74/93/15/667749315.db2.gz UDKSUGJYHKSSQC-DTWKUNHWSA-N -1 1 320.298 0.426 20 5 DCBDMM CN1CCN(C)CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000888986426 667946076 /nfs/dbraw/zinc/94/60/76/667946076.db2.gz GJEVGTQSDSVQKG-UHFFFAOYSA-N -1 1 322.365 0.620 20 5 DCBDMM CC(=O)O[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000765073773 668474793 /nfs/dbraw/zinc/47/47/93/668474793.db2.gz GPYROVVWHMNFBJ-SNVBAGLBSA-N -1 1 309.278 0.863 20 5 DCBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)NC(=O)NC1CC1 ZINC000780071736 668963508 /nfs/dbraw/zinc/96/35/08/668963508.db2.gz KIIUEDOIKXJXCH-UHFFFAOYSA-N -1 1 323.261 0.445 20 5 DCBDMM O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCc1nn[n-]n1 ZINC000791129028 669595329 /nfs/dbraw/zinc/59/53/29/669595329.db2.gz IMDSQBWSXCQGQZ-UHFFFAOYSA-N -1 1 314.664 0.759 20 5 DCBDMM COC(=O)c1ccc(C(=O)OCCn2cc([N+](=O)[O-])cn2)[n-]1 ZINC000796344298 669928277 /nfs/dbraw/zinc/92/82/77/669928277.db2.gz FSCDWSPYHZJXGQ-UHFFFAOYSA-N -1 1 308.250 0.763 20 5 DCBDMM CC(=O)N1C[C@@H]2CN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000816744347 670856781 /nfs/dbraw/zinc/85/67/81/670856781.db2.gz GURFGYAMFZYWTL-PHIMTYICSA-N -1 1 320.305 0.246 20 5 DCBDMM CCOC(=O)C[C@@H](O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000859598051 671129865 /nfs/dbraw/zinc/12/98/65/671129865.db2.gz UBTHTEDTYPLDBK-LLVKDONJSA-N -1 1 313.262 0.771 20 5 DCBDMM Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC001566693433 1160131557 /nfs/dbraw/zinc/13/15/57/1160131557.db2.gz MOTWJIDYYAKXDS-VIFPVBQESA-N -1 1 320.313 0.019 20 5 DCBDMM CN(Cc1ncccn1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001579266261 1165256382 /nfs/dbraw/zinc/25/63/82/1165256382.db2.gz ZYTPKOVGULYNDJ-UHFFFAOYSA-N -1 1 313.281 0.596 20 5 DCBDMM CN(Cc1ncccn1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001579266261 1165256388 /nfs/dbraw/zinc/25/63/88/1165256388.db2.gz ZYTPKOVGULYNDJ-UHFFFAOYSA-N -1 1 313.281 0.596 20 5 DCBDMM Cn1cnnc1CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001581819202 1165882147 /nfs/dbraw/zinc/88/21/47/1165882147.db2.gz LLLVEYASKXUFTM-UHFFFAOYSA-N -1 1 307.299 0.577 20 5 DCBDMM Cn1cnnc1CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001581819202 1165882154 /nfs/dbraw/zinc/88/21/54/1165882154.db2.gz LLLVEYASKXUFTM-UHFFFAOYSA-N -1 1 307.299 0.577 20 5 DCBDMM CC(=O)NCCN(C)c1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001588864677 1166611884 /nfs/dbraw/zinc/61/18/84/1166611884.db2.gz JVRYOCCWRSABCL-UHFFFAOYSA-N -1 1 319.325 0.656 20 5 DCBDMM CC(=O)NCCN(C)c1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001588864677 1166611887 /nfs/dbraw/zinc/61/18/87/1166611887.db2.gz JVRYOCCWRSABCL-UHFFFAOYSA-N -1 1 319.325 0.656 20 5 DCBDMM C[C@@H](O)[C@H]1CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC001589994581 1166739768 /nfs/dbraw/zinc/73/97/68/1166739768.db2.gz HOLULYBVPSQRSP-LDYMZIIASA-N -1 1 320.309 0.361 20 5 DCBDMM C[C@@H](O)[C@H]1CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC001589994581 1166739773 /nfs/dbraw/zinc/73/97/73/1166739773.db2.gz HOLULYBVPSQRSP-LDYMZIIASA-N -1 1 320.309 0.361 20 5 DCBDMM CN(C)C(=O)NCCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591004223 1167074652 /nfs/dbraw/zinc/07/46/52/1167074652.db2.gz XBFYLIJDGLXJMG-UHFFFAOYSA-N -1 1 320.313 0.458 20 5 DCBDMM CN(C)C(=O)NCCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591004223 1167074659 /nfs/dbraw/zinc/07/46/59/1167074659.db2.gz XBFYLIJDGLXJMG-UHFFFAOYSA-N -1 1 320.313 0.458 20 5 DCBDMM CN1CC[C@@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1=O ZINC001591181378 1167133319 /nfs/dbraw/zinc/13/33/19/1167133319.db2.gz VROHYZRMCTXCEI-MRVPVSSYSA-N -1 1 317.309 0.808 20 5 DCBDMM CN1CC[C@@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1=O ZINC001591181378 1167133321 /nfs/dbraw/zinc/13/33/21/1167133321.db2.gz VROHYZRMCTXCEI-MRVPVSSYSA-N -1 1 317.309 0.808 20 5 DCBDMM COC[C@H](CCO)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591375691 1167246263 /nfs/dbraw/zinc/24/62/63/1167246263.db2.gz HKYIBKXKACRYIF-VIFPVBQESA-N -1 1 308.298 0.584 20 5 DCBDMM C[C@@H]1C[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nnn[n-]1 ZINC001591753436 1167365455 /nfs/dbraw/zinc/36/54/55/1167365455.db2.gz ZYFILEMWKUWILZ-HZGVNTEJSA-N -1 1 324.322 0.462 20 5 DCBDMM C[C@@H]1C[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1nn[n-]n1 ZINC001591753436 1167365460 /nfs/dbraw/zinc/36/54/60/1167365460.db2.gz ZYFILEMWKUWILZ-HZGVNTEJSA-N -1 1 324.322 0.462 20 5 DCBDMM Cc1nn(C)c(Cl)c1Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001592431475 1167520556 /nfs/dbraw/zinc/52/05/56/1167520556.db2.gz ZGXWJLZAHYPJLR-UHFFFAOYSA-N -1 1 323.704 0.715 20 5 DCBDMM O=C1NCCC[C@@H]1Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001593408171 1167813348 /nfs/dbraw/zinc/81/33/48/1167813348.db2.gz VGWZMNBSFLLPPZ-YFKPBYRVSA-N -1 1 309.311 0.527 20 5 DCBDMM O=C1NCCC[C@@H]1Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001593408171 1167813353 /nfs/dbraw/zinc/81/33/53/1167813353.db2.gz VGWZMNBSFLLPPZ-YFKPBYRVSA-N -1 1 309.311 0.527 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@@]2(O)C[C@H]2C1 ZINC001593466245 1167853148 /nfs/dbraw/zinc/85/31/48/1167853148.db2.gz PBAOGBGIEMQLGH-JVXZTZIISA-N -1 1 303.282 0.131 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@@]2(O)C[C@H]2C1 ZINC001593466245 1167853158 /nfs/dbraw/zinc/85/31/58/1167853158.db2.gz PBAOGBGIEMQLGH-JVXZTZIISA-N -1 1 303.282 0.131 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@H](CO)c1ncc[nH]1 ZINC001593487041 1167870882 /nfs/dbraw/zinc/87/08/82/1167870882.db2.gz CJMPZERDVMVRNQ-ZCFIWIBFSA-N -1 1 322.310 0.705 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@H](CO)c1ncc[nH]1 ZINC001593487041 1167870887 /nfs/dbraw/zinc/87/08/87/1167870887.db2.gz CJMPZERDVMVRNQ-ZCFIWIBFSA-N -1 1 322.310 0.705 20 5 DCBDMM O=c1cc(-c2nn[n-]n2)ncn1Cc1c(F)cccc1[N+](=O)[O-] ZINC001593493280 1167876642 /nfs/dbraw/zinc/87/66/42/1167876642.db2.gz CVSGHQKNEMKFDN-UHFFFAOYSA-N -1 1 317.240 0.519 20 5 DCBDMM CC(C)(CC(=O)[O-])NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001603591903 1169332327 /nfs/dbraw/zinc/33/23/27/1169332327.db2.gz NVNMEVNCYLJLNH-UHFFFAOYSA-N -1 1 303.296 0.521 20 5 DCBDMM C[C@@H](O)C[C@H](C)Nc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001603695117 1169360387 /nfs/dbraw/zinc/36/03/87/1169360387.db2.gz HYGRUAIBBGDDIY-NKWVEPMBSA-N -1 1 307.314 0.928 20 5 DCBDMM C[C@@H](O)C[C@H](C)Nc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001603695117 1169360391 /nfs/dbraw/zinc/36/03/91/1169360391.db2.gz HYGRUAIBBGDDIY-NKWVEPMBSA-N -1 1 307.314 0.928 20 5 DCBDMM C[C@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC001604363995 1169568651 /nfs/dbraw/zinc/56/86/51/1169568651.db2.gz JTRPVJMMNZUUFR-ONGXEEELSA-N -1 1 323.353 0.734 20 5 DCBDMM CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001605631272 1169978328 /nfs/dbraw/zinc/97/83/28/1169978328.db2.gz PFZZOMPMUDLTPA-HBNTYKKESA-N -1 1 302.327 0.628 20 5 DCBDMM O=[N+]([O-])c1cnn(-c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC001607086619 1170387469 /nfs/dbraw/zinc/38/74/69/1170387469.db2.gz ZYSCWEYZRPLDDF-UHFFFAOYSA-N -1 1 302.210 0.869 20 5 DCBDMM O=[N+]([O-])c1cnn(-c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC001607086619 1170387472 /nfs/dbraw/zinc/38/74/72/1170387472.db2.gz ZYSCWEYZRPLDDF-UHFFFAOYSA-N -1 1 302.210 0.869 20 5 DCBDMM O=c1c(-c2nn[n-]n2)cn(CCCO)c2ccc([N+](=O)[O-])cc12 ZINC001607091669 1170388886 /nfs/dbraw/zinc/38/88/86/1170388886.db2.gz KHIULENUMHCYLU-UHFFFAOYSA-N -1 1 316.277 0.472 20 5 DCBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2C[C@@H](CO)[C@H](CO)C2)c1 ZINC001608914407 1170771732 /nfs/dbraw/zinc/77/17/32/1170771732.db2.gz PGMNYRLORNLVFN-RYUDHWBXSA-N -1 1 310.306 0.326 20 5 DCBDMM C[C@@]1(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCC(=O)N1 ZINC001609149629 1170826590 /nfs/dbraw/zinc/82/65/90/1170826590.db2.gz SXUZVHSSVFSBBY-ZDUSSCGKSA-N -1 1 317.309 0.856 20 5 DCBDMM C[C@@]1(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCC(=O)N1 ZINC001609149629 1170826595 /nfs/dbraw/zinc/82/65/95/1170826595.db2.gz SXUZVHSSVFSBBY-ZDUSSCGKSA-N -1 1 317.309 0.856 20 5 DCBDMM CN1CC[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1=O ZINC001609283961 1170911297 /nfs/dbraw/zinc/91/12/97/1170911297.db2.gz WSJREBSLIPKNCK-ZETCQYMHSA-N -1 1 318.297 0.203 20 5 DCBDMM CN1CC[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1=O ZINC001609283961 1170911298 /nfs/dbraw/zinc/91/12/98/1170911298.db2.gz WSJREBSLIPKNCK-ZETCQYMHSA-N -1 1 318.297 0.203 20 5 DCBDMM Nc1cc(NCCOCCCO)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609510956 1171005211 /nfs/dbraw/zinc/00/52/11/1171005211.db2.gz PTKRLURYPJKXJC-UHFFFAOYSA-N -1 1 323.313 0.168 20 5 DCBDMM Nc1cc(NCCOCCCO)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609510956 1171005218 /nfs/dbraw/zinc/00/52/18/1171005218.db2.gz PTKRLURYPJKXJC-UHFFFAOYSA-N -1 1 323.313 0.168 20 5 DCBDMM O=[N+]([O-])c1cc(N2CCSC[C@@H]2CO)ccc1-c1nn[n-]n1 ZINC001609601190 1171039841 /nfs/dbraw/zinc/03/98/41/1171039841.db2.gz RHFLEAJCRVGERA-VIFPVBQESA-N -1 1 322.350 0.689 20 5 DCBDMM Cc1[nH]nc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC001610403974 1171231595 /nfs/dbraw/zinc/23/15/95/1171231595.db2.gz LHMYCNQBIFXFHE-DKCNOQQISA-N -1 1 308.294 0.952 20 5 DCBDMM O=C(NCc1cnn(CCF)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001611674383 1171359077 /nfs/dbraw/zinc/35/90/77/1171359077.db2.gz CNCLZQUJZYSAFJ-UHFFFAOYSA-N -1 1 309.257 0.791 20 5 DCBDMM O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[C@@H](c2nn[n-]n2)C1 ZINC001644298990 1172002013 /nfs/dbraw/zinc/00/20/13/1172002013.db2.gz CDLIBUYKZYUOPR-SECBINFHSA-N -1 1 320.284 0.806 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-]Cc2cc[nH]n2)c([N+](=O)[O-])n1 ZINC001659544942 1173933666 /nfs/dbraw/zinc/93/36/66/1173933666.db2.gz JVXGCAPGGWORCO-UHFFFAOYSA-N -1 1 300.300 0.013 20 5 DCBDMM CC(C)CNC(=O)C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC001116139304 765844150 /nfs/dbraw/zinc/84/41/50/765844150.db2.gz WTYWSFJVCUCBTE-UHFFFAOYSA-N -1 1 316.339 0.040 20 5 DCBDMM O=C(c1cnncc1[O-])N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001139905317 768498545 /nfs/dbraw/zinc/49/85/45/768498545.db2.gz XKQZKMADHVOZCE-UHFFFAOYSA-N -1 1 318.293 0.764 20 5 DCBDMM NC(=O)c1nc[n-]c(=O)c1O[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001234463872 769660819 /nfs/dbraw/zinc/66/08/19/769660819.db2.gz URYPECJYBHKHEJ-SNVBAGLBSA-N -1 1 316.273 0.736 20 5 DCBDMM NC(=O)c1nc[n-]c(=O)c1O[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001234463866 769661040 /nfs/dbraw/zinc/66/10/40/769661040.db2.gz URYPECJYBHKHEJ-JTQLQIEISA-N -1 1 316.273 0.736 20 5 DCBDMM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1c(=O)[n-]cnc1C(N)=O ZINC001234469478 769664532 /nfs/dbraw/zinc/66/45/32/769664532.db2.gz XYBPZSBDTBPEMS-ZCFIWIBFSA-N -1 1 322.281 0.162 20 5 DCBDMM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@@H](c2nn[nH]n2)C1 ZINC001153000076 769690786 /nfs/dbraw/zinc/69/07/86/769690786.db2.gz COJDSKHMGWKOQB-MRVPVSSYSA-N -1 1 304.266 0.443 20 5 DCBDMM O=c1nc2nc[nH]c2c(Nc2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])[n-]1 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397810645 /nfs/dbraw/zinc/81/06/45/397810645.db2.gz JIATUZBHVDGPSP-SECBINFHSA-N -1 1 311.323 0.553 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-]C[C@@]2(C)CCCO2)c([N+](=O)[O-])n1 ZINC000330454392 159176167 /nfs/dbraw/zinc/17/61/67/159176167.db2.gz MRGIQCNKDFATDT-LLVKDONJSA-N -1 1 318.355 0.659 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-]C[C@H]2CC[C@H](O)C2)c([N+](=O)[O-])n1 ZINC000353820944 415668785 /nfs/dbraw/zinc/66/87/85/415668785.db2.gz AAJKOMCWEGJFKO-IUCAKERBSA-N -1 1 318.355 0.251 20 5 DCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccccc1CO ZINC000533095300 416473731 /nfs/dbraw/zinc/47/37/31/416473731.db2.gz QQCKVTARCSAQSE-UHFFFAOYSA-N -1 1 323.330 0.961 20 5 DCBDMM O=C(NC[C@H](O)COCC1CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445020389 416878621 /nfs/dbraw/zinc/87/86/21/416878621.db2.gz NYGNNPMSMZLDHO-JTQLQIEISA-N -1 1 311.294 0.213 20 5 DCBDMM CCn1cccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1=O ZINC000447621613 417012971 /nfs/dbraw/zinc/01/29/71/417012971.db2.gz KAOOFMYMUXCCRO-UHFFFAOYSA-N -1 1 318.289 0.807 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534886543 /nfs/dbraw/zinc/88/65/43/534886543.db2.gz KHFIMWSTTDRGHB-UHFFFAOYSA-N -1 1 315.286 0.373 20 5 DCBDMM CN(C)C(=O)CN(C)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821575510 607344280 /nfs/dbraw/zinc/34/42/80/607344280.db2.gz FJJKBOXNDRUBJI-UHFFFAOYSA-N -1 1 305.298 0.299 20 5 DCBDMM CCc1[nH]nc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000830202132 601758423 /nfs/dbraw/zinc/75/84/23/601758423.db2.gz HRJOKZQIOXUGRK-LLVKDONJSA-N -1 1 300.246 0.519 20 5 DCBDMM NC(=O)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC000822860077 606645300 /nfs/dbraw/zinc/64/53/00/606645300.db2.gz MVOIBVPGUCYSMG-QMMMGPOBSA-N -1 1 317.309 0.477 20 5 DCBDMM CC(C)(C)[C@@H](O)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000819906750 606709195 /nfs/dbraw/zinc/70/91/95/606709195.db2.gz JVWSMAHGEOLBLQ-QMMMGPOBSA-N -1 1 307.314 0.989 20 5 DCBDMM CC(C)(C)[C@@H](O)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000819906750 606709197 /nfs/dbraw/zinc/70/91/97/606709197.db2.gz JVWSMAHGEOLBLQ-QMMMGPOBSA-N -1 1 307.314 0.989 20 5 DCBDMM C[C@](O)(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])C1CC1 ZINC000820467168 606709403 /nfs/dbraw/zinc/70/94/03/606709403.db2.gz BGUDNPQNUOIZIT-LBPRGKRZSA-N -1 1 305.298 0.743 20 5 DCBDMM C[C@](O)(CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])C1CC1 ZINC000820467168 606709404 /nfs/dbraw/zinc/70/94/04/606709404.db2.gz BGUDNPQNUOIZIT-LBPRGKRZSA-N -1 1 305.298 0.743 20 5 DCBDMM CN(Cc1cc[nH]n1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821608754 606709942 /nfs/dbraw/zinc/70/99/42/606709942.db2.gz TVXIDPGSIDJOAR-UHFFFAOYSA-N -1 1 301.270 0.529 20 5 DCBDMM CN(Cc1cc[nH]n1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821608754 606709944 /nfs/dbraw/zinc/70/99/44/606709944.db2.gz TVXIDPGSIDJOAR-UHFFFAOYSA-N -1 1 301.270 0.529 20 5 DCBDMM CCOC(=O)CSc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821334836 607160651 /nfs/dbraw/zinc/16/06/51/607160651.db2.gz RFFDBTJQAAOFQH-UHFFFAOYSA-N -1 1 310.295 0.825 20 5 DCBDMM CCOC(=O)CSc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821334836 607160653 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O=C([O-])Cn1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)n1 ZINC001595151711 952139054 /nfs/dbraw/zinc/13/90/54/952139054.db2.gz LRVOUPHKDLQCMH-UHFFFAOYSA-N -1 1 306.234 0.834 20 5 DCBDMM CCc1ccc(C(=O)N[C@@H](COC)c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001303578984 960056388 /nfs/dbraw/zinc/05/63/88/960056388.db2.gz VLVIZVSCIRVYCU-JTQLQIEISA-N -1 1 320.309 0.788 20 5 DCBDMM Cc1cnc(CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cn1 ZINC001309564629 960200323 /nfs/dbraw/zinc/20/03/23/960200323.db2.gz QKPRVUOIUMOUSS-UHFFFAOYSA-N -1 1 323.334 0.609 20 5 DCBDMM CCO[C@@H]1C[C@](NC(=O)[C@@H]2CC2[N+](=O)[O-])(C(=O)[O-])C1(C)C ZINC001596824792 985429501 /nfs/dbraw/zinc/42/95/01/985429501.db2.gz XNFQIPLBGUKAOP-LHGDZMGGSA-N -1 1 300.311 0.426 20 5 DCBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC001471510448 1016591667 /nfs/dbraw/zinc/59/16/67/1016591667.db2.gz OTTDOZOOMFRDQQ-LDYMZIIASA-N -1 1 320.305 0.436 20 5 DCBDMM CC(C)Oc1cc(C(=O)NN2CC(=O)[N-]C2=O)ccc1[N+](=O)[O-] ZINC001472486059 1016815164 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O=[N+]([O-])c1cn(Cc2nccn2C(F)F)nc1-c1nn[n-]n1 ZINC001582804830 1166078610 /nfs/dbraw/zinc/07/86/10/1166078610.db2.gz NRTVOOQMANRQNU-UHFFFAOYSA-N -1 1 311.212 0.611 20 5 DCBDMM C[C@@H](C(=O)NC1CCCC1)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001588972429 1166624973 /nfs/dbraw/zinc/62/49/73/1166624973.db2.gz KLJIQXMUOSTAIF-ZETCQYMHSA-N -1 1 320.313 0.591 20 5 DCBDMM CNC(=O)[C@H]1CCCN1c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001591203852 1167152588 /nfs/dbraw/zinc/15/25/88/1167152588.db2.gz MCSYGWXQGSWQJX-ZCFIWIBFSA-N -1 1 323.338 0.551 20 5 DCBDMM CNC(=O)[C@H]1CCCN1c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001591203852 1167152590 /nfs/dbraw/zinc/15/25/90/1167152590.db2.gz MCSYGWXQGSWQJX-ZCFIWIBFSA-N -1 1 323.338 0.551 20 5 DCBDMM COC(=O)[C@H](C)CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591228574 1167167646 /nfs/dbraw/zinc/16/76/46/1167167646.db2.gz IFVYIUSVSYADAY-SSDOTTSWSA-N -1 1 306.282 0.996 20 5 DCBDMM COC[C@](C)(O)CCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591371717 1167244779 /nfs/dbraw/zinc/24/47/79/1167244779.db2.gz ZLRBQGSRAKXEKX-CYBMUJFWSA-N -1 1 322.325 0.974 20 5 DCBDMM COC[C@](C)(O)CCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591371717 1167244783 /nfs/dbraw/zinc/24/47/83/1167244783.db2.gz ZLRBQGSRAKXEKX-CYBMUJFWSA-N -1 1 322.325 0.974 20 5 DCBDMM O=C1CC[C@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C(=O)N1 ZINC001593390171 1167800427 /nfs/dbraw/zinc/80/04/27/1167800427.db2.gz JQPYNYNAVUWCSI-BYPYZUCNSA-N -1 1 323.294 0.054 20 5 DCBDMM O=C1CC[C@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C(=O)N1 ZINC001593390171 1167800442 /nfs/dbraw/zinc/80/04/42/1167800442.db2.gz JQPYNYNAVUWCSI-BYPYZUCNSA-N -1 1 323.294 0.054 20 5 DCBDMM O=[N+]([O-])c1cn(Cc2noc3c2COCC3)nc1-c1nn[n-]n1 ZINC001593485781 1167869540 /nfs/dbraw/zinc/86/95/40/1167869540.db2.gz GDKUBMKLZZBXBR-UHFFFAOYSA-N -1 1 318.253 0.080 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NC[C@H](O)c1c[nH]cn1 ZINC001593489111 1167871179 /nfs/dbraw/zinc/87/11/79/1167871179.db2.gz WCRSTIYZAMHVPM-ZETCQYMHSA-N -1 1 322.310 0.705 20 5 DCBDMM O=[N+]([O-])c1cn(CCO[C@H]2CC2(F)F)nc1-c1nn[n-]n1 ZINC001593486736 1167872695 /nfs/dbraw/zinc/87/26/95/1167872695.db2.gz JGEMLYRFRZIWJT-LURJTMIESA-N -1 1 301.213 0.396 20 5 DCBDMM O=C([O-])c1cc(C(=O)NC23CCN(CC2)C3)cc([N+](=O)[O-])c1 ZINC001602243926 1169039387 /nfs/dbraw/zinc/03/93/87/1169039387.db2.gz APVFMXPTHFISTB-UHFFFAOYSA-N -1 1 305.290 0.871 20 5 DCBDMM O=C([O-])c1ccnc(N2CCn3c(=O)[nH]nc3C2)c1[N+](=O)[O-] ZINC001602481024 1169087817 /nfs/dbraw/zinc/08/78/17/1169087817.db2.gz UISXPHXPQLGXFU-UHFFFAOYSA-N -1 1 306.238 0.005 20 5 DCBDMM C[C@H]1CN(C)C(=O)CN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001603933529 1169441684 /nfs/dbraw/zinc/44/16/84/1169441684.db2.gz WSDRTCFNJMZZPE-QMMMGPOBSA-N -1 1 317.309 0.442 20 5 DCBDMM CC[C@]1(O)CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001604093524 1169489675 /nfs/dbraw/zinc/48/96/75/1169489675.db2.gz HJXPZQFXZOMTAS-LBPRGKRZSA-N -1 1 305.298 0.521 20 5 DCBDMM CC[C@]1(O)CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001604093524 1169489680 /nfs/dbraw/zinc/48/96/80/1169489680.db2.gz HJXPZQFXZOMTAS-LBPRGKRZSA-N -1 1 305.298 0.521 20 5 DCBDMM CCN1CC[C@@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1=O ZINC001604339810 1169558219 /nfs/dbraw/zinc/55/82/19/1169558219.db2.gz CZZCVAVZQQCTCC-SNVBAGLBSA-N -1 1 317.309 0.808 20 5 DCBDMM COC[C@@H](CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])OC ZINC001605053412 1169797554 /nfs/dbraw/zinc/79/75/54/1169797554.db2.gz WVLAMIWTPHLUSD-MRVPVSSYSA-N -1 1 323.313 0.633 20 5 DCBDMM COC[C@@H](CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])OC ZINC001605053412 1169797559 /nfs/dbraw/zinc/79/75/59/1169797559.db2.gz WVLAMIWTPHLUSD-MRVPVSSYSA-N -1 1 323.313 0.633 20 5 DCBDMM COCCCN(C)c1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001605087882 1169820294 /nfs/dbraw/zinc/82/02/94/1169820294.db2.gz QRIXGOVMZPONAG-UHFFFAOYSA-N -1 1 307.314 0.830 20 5 DCBDMM COCCCN(C)c1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001605087882 1169820298 /nfs/dbraw/zinc/82/02/98/1169820298.db2.gz QRIXGOVMZPONAG-UHFFFAOYSA-N -1 1 307.314 0.830 20 5 DCBDMM Nc1cc(NC[C@H]2COCCO2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001606450733 1170208013 /nfs/dbraw/zinc/20/80/13/1170208013.db2.gz DKAPNTHBQJAOAL-QMMMGPOBSA-N -1 1 321.297 0.184 20 5 DCBDMM Nc1cc(NC[C@H]2COCCO2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001606450733 1170208017 /nfs/dbraw/zinc/20/80/17/1170208017.db2.gz DKAPNTHBQJAOAL-QMMMGPOBSA-N -1 1 321.297 0.184 20 5 DCBDMM O=C1CC[C@@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCN1 ZINC001607043776 1170366228 /nfs/dbraw/zinc/36/62/28/1170366228.db2.gz JWIQOHCAGYEATN-MRVPVSSYSA-N -1 1 317.309 0.856 20 5 DCBDMM O=C1CC[C@@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCN1 ZINC001607043776 1170366232 /nfs/dbraw/zinc/36/62/32/1170366232.db2.gz JWIQOHCAGYEATN-MRVPVSSYSA-N -1 1 317.309 0.856 20 5 DCBDMM O=[N+]([O-])c1cc(NCCn2cnnc2)ccc1-c1nn[n-]n1 ZINC001607078852 1170383026 /nfs/dbraw/zinc/38/30/26/1170383026.db2.gz AHLWUBIQYLEVTQ-UHFFFAOYSA-N -1 1 301.270 0.479 20 5 DCBDMM O=[N+]([O-])c1ccc(N2CCC(O)(CO)CC2)cc1-c1nnn[n-]1 ZINC001607081384 1170384293 /nfs/dbraw/zinc/38/42/93/1170384293.db2.gz JGALRQJVRGAMOJ-UHFFFAOYSA-N -1 1 320.309 0.099 20 5 DCBDMM O=[N+]([O-])c1ccc(N2CCC(O)(CO)CC2)cc1-c1nn[n-]n1 ZINC001607081384 1170384301 /nfs/dbraw/zinc/38/43/01/1170384301.db2.gz JGALRQJVRGAMOJ-UHFFFAOYSA-N -1 1 320.309 0.099 20 5 DCBDMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1Cc1ccccc1[N+](=O)[O-] ZINC001607088113 1170387216 /nfs/dbraw/zinc/38/72/16/1170387216.db2.gz CYONYHCQKVMOLF-UHFFFAOYSA-N -1 1 315.249 0.086 20 5 DCBDMM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC001608604071 1170714283 /nfs/dbraw/zinc/71/42/83/1170714283.db2.gz KJYJFCUNJMXZMV-KCJUWKMLSA-N -1 1 310.262 0.208 20 5 DCBDMM CC[C@H]1C(=O)NCCN1c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001609198464 1170862276 /nfs/dbraw/zinc/86/22/76/1170862276.db2.gz ARPFZNJKTLRLET-JTQLQIEISA-N -1 1 317.309 0.490 20 5 DCBDMM CC[C@H]1C(=O)NCCN1c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001609198464 1170862284 /nfs/dbraw/zinc/86/22/84/1170862284.db2.gz ARPFZNJKTLRLET-JTQLQIEISA-N -1 1 317.309 0.490 20 5 DCBDMM CNC(=O)C(C)(C)CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001609286524 1170913402 /nfs/dbraw/zinc/91/34/02/1170913402.db2.gz WHXOTJXVRJKQRI-UHFFFAOYSA-N -1 1 319.325 0.959 20 5 DCBDMM CNC(=O)C(C)(C)CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001609286524 1170913408 /nfs/dbraw/zinc/91/34/08/1170913408.db2.gz WHXOTJXVRJKQRI-UHFFFAOYSA-N -1 1 319.325 0.959 20 5 DCBDMM O=C(OCCn1ccc([N+](=O)[O-])n1)c1ccc(-c2nn[n-]n2)o1 ZINC001609575103 1171028000 /nfs/dbraw/zinc/02/80/00/1171028000.db2.gz QQIKXHWWSDAFQN-UHFFFAOYSA-N -1 1 319.237 0.421 20 5 DCBDMM O=C1NCCC[C@@H]1Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001609589721 1171032294 /nfs/dbraw/zinc/03/22/94/1171032294.db2.gz FCYVEWNFMGXTLS-VIFPVBQESA-N -1 1 303.282 0.465 20 5 DCBDMM O=C1NCCC[C@@H]1Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001609589721 1171032299 /nfs/dbraw/zinc/03/22/99/1171032299.db2.gz FCYVEWNFMGXTLS-VIFPVBQESA-N -1 1 303.282 0.465 20 5 DCBDMM C[C@H](O)CN1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001609790960 1171086842 /nfs/dbraw/zinc/08/68/42/1171086842.db2.gz LJWAFMWZISLBGB-NSHDSACASA-N -1 1 323.349 0.791 20 5 DCBDMM O=C(c1cc([N+](=O)[O-])ccc1F)N1CC[C@H](c2nn[n-]n2)C1 ZINC001636502482 1171739295 /nfs/dbraw/zinc/73/92/95/1171739295.db2.gz QJISHHJKKVXOFF-ZETCQYMHSA-N -1 1 306.257 0.877 20 5 DCBDMM COC[C@@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1nn[n-]n1 ZINC001644686147 1172014885 /nfs/dbraw/zinc/01/48/85/1172014885.db2.gz QMIXYSBJLUJRAI-SECBINFHSA-N -1 1 306.282 0.534 20 5 DCBDMM CNC(=O)N[C@@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC001645203939 1172030410 /nfs/dbraw/zinc/03/04/10/1172030410.db2.gz IZMHJVOBHWQMTI-SECBINFHSA-N -1 1 323.309 0.229 20 5 DCBDMM COc1cc(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)ccc1[N+](=O)[O-] ZINC001650857810 1173733676 /nfs/dbraw/zinc/73/36/76/1173733676.db2.gz JMPCTZAIHRVTGO-SECBINFHSA-N -1 1 318.293 0.746 20 5 DCBDMM O=C(Cn1cnc([N+](=O)[O-])n1)NCc1ccc([O-])c(Cl)c1 ZINC001651346905 1173747301 /nfs/dbraw/zinc/74/73/01/1173747301.db2.gz XVYQKLCKWNWEDP-UHFFFAOYSA-N -1 1 311.685 0.862 20 5 DCBDMM CN1C[C@@H](CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1=O ZINC001654823952 1173812242 /nfs/dbraw/zinc/81/22/42/1173812242.db2.gz UFXPXUNYBXSQIF-QMMMGPOBSA-N -1 1 308.294 0.294 20 5 DCBDMM O=c1[n-]c2nc(=O)[nH]c(Nc3c[n+]([O-])ccc3[N+](=O)[O-])c2[nH]1 ZINC001170220352 762571843 /nfs/dbraw/zinc/57/18/43/762571843.db2.gz WMGDCKSBEAAVHQ-UHFFFAOYSA-N -1 1 305.210 0.001 20 5 DCBDMM O=[N+]([O-])C[C@@H](OCC[P@@](=O)([O-])O)c1ccc2c(c1)OCO2 ZINC001224601017 775586801 /nfs/dbraw/zinc/58/68/01/775586801.db2.gz CZKIXADOCYPRGP-LLVKDONJSA-N -1 1 319.206 0.927 20 5 DCBDMM O=[N+]([O-])C[C@H](OCC[P@@](=O)([O-])O)c1ccc2c(c1)OCO2 ZINC001224601018 775587769 /nfs/dbraw/zinc/58/77/69/775587769.db2.gz CZKIXADOCYPRGP-NSHDSACASA-N -1 1 319.206 0.927 20 5 DCBDMM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(C(N)=O)ccc2F)n1 ZINC001319928229 945697006 /nfs/dbraw/zinc/69/70/06/945697006.db2.gz MYCDASLKOGVSKM-UHFFFAOYSA-N -1 1 307.241 0.819 20 5 DCBDMM 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0.886 20 5 DCBDMM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC2[N+](=O)[O-])c(F)cc1F ZINC000842318137 672005118 /nfs/dbraw/zinc/00/51/18/672005118.db2.gz BDTLOSVMKJXEOX-HZGVNTEJSA-N -1 1 320.273 0.743 20 5 DCBDMM O=C([N-]S(=O)(=O)CCOc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC000842313759 672005333 /nfs/dbraw/zinc/00/53/33/672005333.db2.gz VHKZEBDKWIKORD-GHMZBOCLSA-N -1 1 314.319 0.177 20 5 DCBDMM Cc1cc(F)c(S(=O)(=O)[N-]C(=O)[C@@H]2CC2[N+](=O)[O-])cc1F ZINC000842320681 672005778 /nfs/dbraw/zinc/00/57/78/672005778.db2.gz ICBFKAOWFDGYRF-HZGVNTEJSA-N -1 1 320.273 0.743 20 5 DCBDMM O=C([N-]S(=O)(=O)c1sccc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000842372500 672009591 /nfs/dbraw/zinc/00/95/91/672009591.db2.gz NNQOJSGYAWQWOH-INEUFUBQSA-N -1 1 310.740 0.872 20 5 DCBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCn1ccnn1 ZINC000136333129 685121936 /nfs/dbraw/zinc/12/19/36/685121936.db2.gz GROMEKXNPOGQGV-UHFFFAOYSA-N -1 1 315.286 0.304 20 5 DCBDMM COC(=O)[C@@]1(C)CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@@H]1C ZINC001648968298 1158195094 /nfs/dbraw/zinc/19/50/94/1158195094.db2.gz NKDXRSJLHZZLQN-RTHLEPHNSA-N -1 1 323.305 0.967 20 5 DCBDMM O=C(NCCOC1CCOCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001649081817 1158634053 /nfs/dbraw/zinc/63/40/53/1158634053.db2.gz BITXQSOFFFMYCK-UHFFFAOYSA-N -1 1 311.294 0.621 20 5 DCBDMM Nc1nc(NCc2ccc(-c3nn[n-]n3)s2)ncc1[N+](=O)[O-] ZINC001581910452 1165913301 /nfs/dbraw/zinc/91/33/01/1165913301.db2.gz QXEJXJOBBONJEZ-UHFFFAOYSA-N -1 1 319.310 0.821 20 5 DCBDMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC001582649863 1166060557 /nfs/dbraw/zinc/06/05/57/1166060557.db2.gz HBRMAVIUBQEWNC-UHFFFAOYSA-N -1 1 300.238 0.750 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NC[C@@]1(O)CCOC1 ZINC001582804770 1166086366 /nfs/dbraw/zinc/08/63/66/1166086366.db2.gz LHLJNZYWEAKDRS-JTQLQIEISA-N -1 1 312.311 0.400 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NC[C@@]1(O)CCOC1 ZINC001582804770 1166086373 /nfs/dbraw/zinc/08/63/73/1166086373.db2.gz LHLJNZYWEAKDRS-JTQLQIEISA-N -1 1 312.311 0.400 20 5 DCBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1CCCCN(C)C1=O ZINC001586860487 1166499641 /nfs/dbraw/zinc/49/96/41/1166499641.db2.gz LYLKTWVCMRSKNF-SNVBAGLBSA-N -1 1 322.321 0.778 20 5 DCBDMM O=C([N-]CC1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1)C(F)(F)F ZINC001588126995 1166517618 /nfs/dbraw/zinc/51/76/18/1166517618.db2.gz XJVKXRMIJIZQEI-UHFFFAOYSA-N -1 1 320.227 0.673 20 5 DCBDMM C[C@H]1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)[C@@H]1CO ZINC001590274964 1166835561 /nfs/dbraw/zinc/83/55/61/1166835561.db2.gz TXUUYYOBLUQSHF-QPUJVOFHSA-N -1 1 304.310 0.982 20 5 DCBDMM CO[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@H]1OC ZINC001591472862 1167304327 /nfs/dbraw/zinc/30/43/27/1167304327.db2.gz IYXLZFRVZGDHGG-DTORHVGOSA-N -1 1 321.297 0.020 20 5 DCBDMM CO[C@@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@H]1OC ZINC001591472862 1167304330 /nfs/dbraw/zinc/30/43/30/1167304330.db2.gz IYXLZFRVZGDHGG-DTORHVGOSA-N -1 1 321.297 0.020 20 5 DCBDMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC001593200004 1167735151 /nfs/dbraw/zinc/73/51/51/1167735151.db2.gz YHIFPGMFHWSQEJ-UHFFFAOYSA-N -1 1 300.238 0.750 20 5 DCBDMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC001593200004 1167735160 /nfs/dbraw/zinc/73/51/60/1167735160.db2.gz YHIFPGMFHWSQEJ-UHFFFAOYSA-N -1 1 300.238 0.750 20 5 DCBDMM O=C1C[C@H](CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CN1 ZINC001593386730 1167798129 /nfs/dbraw/zinc/79/81/29/1167798129.db2.gz UIRAZMYFVKFZSV-SSDOTTSWSA-N -1 1 303.282 0.323 20 5 DCBDMM O=C1C[C@H](CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CN1 ZINC001593386730 1167798138 /nfs/dbraw/zinc/79/81/38/1167798138.db2.gz UIRAZMYFVKFZSV-SSDOTTSWSA-N -1 1 303.282 0.323 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCn2nccc2C1 ZINC001593465550 1167853177 /nfs/dbraw/zinc/85/31/77/1167853177.db2.gz DJVVEOKFIWADNV-UHFFFAOYSA-N -1 1 312.293 0.992 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCn2nccc2C1 ZINC001593465550 1167853187 /nfs/dbraw/zinc/85/31/87/1167853187.db2.gz DJVVEOKFIWADNV-UHFFFAOYSA-N -1 1 312.293 0.992 20 5 DCBDMM O=[N+]([O-])c1cc(N2CC[C@@]3(O)C[C@H]3C2)ccc1-c1nn[n-]n1 ZINC001593472174 1167864761 /nfs/dbraw/zinc/86/47/61/1167864761.db2.gz WYKPAEJCRJVLDO-ISVAXAHUSA-N -1 1 302.294 0.736 20 5 DCBDMM O=[N+]([O-])c1cc(N2CCC(O)(CO)CC2)ccc1-c1nn[n-]n1 ZINC001593472256 1167865073 /nfs/dbraw/zinc/86/50/73/1167865073.db2.gz ZIKBAIXOXGNFHR-UHFFFAOYSA-N -1 1 320.309 0.099 20 5 DCBDMM O=[N+]([O-])c1cccc2ncnc(-n3cnc(-c4nn[n-]n4)n3)c21 ZINC001593484645 1167866860 /nfs/dbraw/zinc/86/68/60/1167866860.db2.gz CAUDBGOAQHLEOP-UHFFFAOYSA-N -1 1 310.237 0.299 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CC[C@@]2(O)C[C@H]2C1 ZINC001593486909 1167872045 /nfs/dbraw/zinc/87/20/45/1167872045.db2.gz ANIKSUQCNHKEMU-UPONEAKYSA-N -1 1 308.323 0.798 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CC[C@@]2(O)C[C@H]2C1 ZINC001593486909 1167872057 /nfs/dbraw/zinc/87/20/57/1167872057.db2.gz ANIKSUQCNHKEMU-UPONEAKYSA-N -1 1 308.323 0.798 20 5 DCBDMM CCc1[nH+]ccn1CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001595407441 1167971288 /nfs/dbraw/zinc/97/12/88/1167971288.db2.gz WUHMQNOSAYIACY-UHFFFAOYSA-N -1 1 305.294 0.884 20 5 DCBDMM O=C([O-])c1cc(NC(=O)C[C@@H]2COCCN2)cc([N+](=O)[O-])c1 ZINC001601257354 1168680168 /nfs/dbraw/zinc/68/01/68/1168680168.db2.gz MBGHXIWDGKGLGR-SNVBAGLBSA-N -1 1 309.278 0.610 20 5 DCBDMM C[C@@H](C[S@@](C)=O)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001603571894 1169326790 /nfs/dbraw/zinc/32/67/90/1169326790.db2.gz KHYPWFDNYCPSFP-MWAODPMSSA-N -1 1 310.339 0.954 20 5 DCBDMM CN1C[C@@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCC1=O ZINC001604845421 1169705382 /nfs/dbraw/zinc/70/53/82/1169705382.db2.gz CPURONYPFKNNSG-QMMMGPOBSA-N -1 1 317.309 0.808 20 5 DCBDMM CN1C[C@@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCC1=O ZINC001604845421 1169705391 /nfs/dbraw/zinc/70/53/91/1169705391.db2.gz CPURONYPFKNNSG-QMMMGPOBSA-N -1 1 317.309 0.808 20 5 DCBDMM Cc1cc(N(C)CC(=O)N(C)C)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605687755 1169985895 /nfs/dbraw/zinc/98/58/95/1169985895.db2.gz YNWNQDRSIXNECT-UHFFFAOYSA-N -1 1 319.325 0.608 20 5 DCBDMM Cc1cc(N(C)CC(=O)N(C)C)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605687755 1169985897 /nfs/dbraw/zinc/98/58/97/1169985897.db2.gz YNWNQDRSIXNECT-UHFFFAOYSA-N -1 1 319.325 0.608 20 5 DCBDMM Cn1ncc([N+](=O)[O-])c1NCc1nc(-c2nnn[n-]2)cs1 ZINC001606276851 1170145856 /nfs/dbraw/zinc/14/58/56/1170145856.db2.gz ADDRGFUABACWGM-UHFFFAOYSA-N -1 1 307.299 0.577 20 5 DCBDMM Cn1ncc([N+](=O)[O-])c1NCc1nc(-c2nn[n-]n2)cs1 ZINC001606276851 1170145858 /nfs/dbraw/zinc/14/58/58/1170145858.db2.gz ADDRGFUABACWGM-UHFFFAOYSA-N -1 1 307.299 0.577 20 5 DCBDMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cn1 ZINC001606945824 1170336282 /nfs/dbraw/zinc/33/62/82/1170336282.db2.gz PQIBONPTEMKGSZ-UHFFFAOYSA-N -1 1 301.226 0.145 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@@H]2OCC[C@@H]2C1 ZINC001607077307 1170381718 /nfs/dbraw/zinc/38/17/18/1170381718.db2.gz PCAFPZMCOMOKPX-SCZZXKLOSA-N -1 1 317.309 0.785 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@@H]2OCC[C@@H]2C1 ZINC001607077307 1170381725 /nfs/dbraw/zinc/38/17/25/1170381725.db2.gz PCAFPZMCOMOKPX-SCZZXKLOSA-N -1 1 317.309 0.785 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CCS(=O)CC1 ZINC001607085486 1170384119 /nfs/dbraw/zinc/38/41/19/1170384119.db2.gz FZTFUPBWJPCAQK-UHFFFAOYSA-N -1 1 314.352 0.405 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CCS(=O)CC1 ZINC001607085486 1170384127 /nfs/dbraw/zinc/38/41/27/1170384127.db2.gz FZTFUPBWJPCAQK-UHFFFAOYSA-N -1 1 314.352 0.405 20 5 DCBDMM O=[N+]([O-])c1cn(Cc2noc(C3CC3)n2)nc1-c1nn[n-]n1 ZINC001607087015 1170387359 /nfs/dbraw/zinc/38/73/59/1170387359.db2.gz XNWNBSCIVPLBAC-UHFFFAOYSA-N -1 1 303.242 0.280 20 5 DCBDMM C[C@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC[C@@H]1O ZINC001609176285 1170849690 /nfs/dbraw/zinc/84/96/90/1170849690.db2.gz QIONDGGTLCFZLI-CBAPKCEASA-N -1 1 305.298 0.377 20 5 DCBDMM C[C@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC[C@@H]1O ZINC001609176285 1170849697 /nfs/dbraw/zinc/84/96/97/1170849697.db2.gz QIONDGGTLCFZLI-CBAPKCEASA-N -1 1 305.298 0.377 20 5 DCBDMM C[C@H]1OCC[C@]1(O)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609179230 1170852180 /nfs/dbraw/zinc/85/21/80/1170852180.db2.gz NMECFHCAXUYOJZ-KRTXAFLBSA-N -1 1 321.297 0.122 20 5 DCBDMM C[C@H]1OCC[C@]1(O)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609179230 1170852187 /nfs/dbraw/zinc/85/21/87/1170852187.db2.gz NMECFHCAXUYOJZ-KRTXAFLBSA-N -1 1 321.297 0.122 20 5 DCBDMM CN(C[C@@H]1CCCO1)c1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001609277288 1170908538 /nfs/dbraw/zinc/90/85/38/1170908538.db2.gz SVWUHPVOQAXSGP-VIFPVBQESA-N -1 1 319.325 0.972 20 5 DCBDMM CN(C[C@@H]1CCCO1)c1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001609277288 1170908540 /nfs/dbraw/zinc/90/85/40/1170908540.db2.gz SVWUHPVOQAXSGP-VIFPVBQESA-N -1 1 319.325 0.972 20 5 DCBDMM COC[C@H](O)CCNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001609317726 1170932160 /nfs/dbraw/zinc/93/21/60/1170932160.db2.gz IQLHMRGPYUQVIB-MRVPVSSYSA-N -1 1 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CCc1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000842336463 672006063 /nfs/dbraw/zinc/00/60/63/672006063.db2.gz BAJXCCIDDWYQCW-VXGBXAGGSA-N -1 1 312.347 0.860 20 5 DCBDMM O=C(NCc1ccnc(-c2nnn[n-]2)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC001582554603 1166042251 /nfs/dbraw/zinc/04/22/51/1166042251.db2.gz OFXOVUPNGSOFNZ-UHFFFAOYSA-N -1 1 314.265 0.428 20 5 DCBDMM O=C(NCc1ccnc(-c2nn[n-]n2)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC001582554603 1166042253 /nfs/dbraw/zinc/04/22/53/1166042253.db2.gz OFXOVUPNGSOFNZ-UHFFFAOYSA-N -1 1 314.265 0.428 20 5 DCBDMM C[C@H](C(=O)N1CCCCC1)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001588957071 1166620930 /nfs/dbraw/zinc/62/09/30/1166620930.db2.gz QKNZDBCDVKEORQ-MRVPVSSYSA-N -1 1 320.313 0.545 20 5 DCBDMM Cc1cc(N2CC[C@@H](C(N)=O)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591999620 1167433349 /nfs/dbraw/zinc/43/33/49/1167433349.db2.gz KJUFIOXHLXJBCW-MRVPVSSYSA-N -1 1 317.309 0.395 20 5 DCBDMM Cc1cc(N2CC[C@@H](C(N)=O)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591999620 1167433353 /nfs/dbraw/zinc/43/33/53/1167433353.db2.gz KJUFIOXHLXJBCW-MRVPVSSYSA-N -1 1 317.309 0.395 20 5 DCBDMM Cc1ccc(Cn2cnc(-c3nn[n-]n3)cc2=O)cc1[N+](=O)[O-] ZINC001592171954 1167468892 /nfs/dbraw/zinc/46/88/92/1167468892.db2.gz SJAWKZGWTBSMSC-UHFFFAOYSA-N -1 1 313.277 0.688 20 5 DCBDMM O=C(Nc1n[nH]cc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cn1 ZINC001593199622 1167735878 /nfs/dbraw/zinc/73/58/78/1167735878.db2.gz PCHGWXBIWCPLRQ-UHFFFAOYSA-N -1 1 301.226 0.145 20 5 DCBDMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cn1 ZINC001593199622 1167735885 /nfs/dbraw/zinc/73/58/85/1167735885.db2.gz PCHGWXBIWCPLRQ-UHFFFAOYSA-N -1 1 301.226 0.145 20 5 DCBDMM O=[N+]([O-])c1c(NCCCOCCO)cccc1-c1nnn[n-]1 ZINC001593465043 1167854131 /nfs/dbraw/zinc/85/41/31/1167854131.db2.gz GXYMDSJRYUYLDZ-UHFFFAOYSA-N -1 1 308.298 0.586 20 5 DCBDMM O=[N+]([O-])c1c(NCCCOCCO)cccc1-c1nn[n-]n1 ZINC001593465043 1167854143 /nfs/dbraw/zinc/85/41/43/1167854143.db2.gz GXYMDSJRYUYLDZ-UHFFFAOYSA-N -1 1 308.298 0.586 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCC(CO)CC1 ZINC001593467307 1167859620 /nfs/dbraw/zinc/85/96/20/1167859620.db2.gz WEAYOEDDGKUWEC-UHFFFAOYSA-N -1 1 304.310 0.984 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCC(CO)CC1 ZINC001593467307 1167859625 /nfs/dbraw/zinc/85/96/25/1167859625.db2.gz WEAYOEDDGKUWEC-UHFFFAOYSA-N -1 1 304.310 0.984 20 5 DCBDMM O=[N+]([O-])c1cn(CCCc2cccnc2)nc1-c1nn[n-]n1 ZINC001593486602 1167871469 /nfs/dbraw/zinc/87/14/69/1167871469.db2.gz BVGULIPAUODEAQ-UHFFFAOYSA-N -1 1 300.282 0.999 20 5 DCBDMM Cc1nc(N2CCN(CCC(=O)[O-])C[C@@H]2C)ncc1[N+](=O)[O-] ZINC001600711286 1168262006 /nfs/dbraw/zinc/26/20/06/1168262006.db2.gz UYCMNLWYVQNVPJ-VIFPVBQESA-N -1 1 309.326 0.678 20 5 DCBDMM O=C([O-])[C@H]1C[C@H](NS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC001602222254 1169036793 /nfs/dbraw/zinc/03/67/93/1169036793.db2.gz OLJBKZMBDJADPS-LJGSYFOKSA-N -1 1 301.280 0.131 20 5 DCBDMM C[C@@H]1CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@H](CO)O1 ZINC001603939393 1169444201 /nfs/dbraw/zinc/44/42/01/1169444201.db2.gz LXKBBCALYDGGQP-BDAKNGLRSA-N -1 1 320.309 0.361 20 5 DCBDMM C[C@@H]1CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@H](CO)O1 ZINC001603939393 1169444204 /nfs/dbraw/zinc/44/42/04/1169444204.db2.gz LXKBBCALYDGGQP-BDAKNGLRSA-N -1 1 320.309 0.361 20 5 DCBDMM CC[C@@]1(O)CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001604093546 1169490373 /nfs/dbraw/zinc/49/03/73/1169490373.db2.gz IKOMOLAFFRKHCA-CYBMUJFWSA-N -1 1 319.325 0.911 20 5 DCBDMM CC[C@@]1(O)CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001604093546 1169490374 /nfs/dbraw/zinc/49/03/74/1169490374.db2.gz IKOMOLAFFRKHCA-CYBMUJFWSA-N -1 1 319.325 0.911 20 5 DCBDMM CCC[C@@H](C(=O)OCC)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001604128651 1169502243 /nfs/dbraw/zinc/50/22/43/1169502243.db2.gz XQBFCJIKZKHCBF-ZETCQYMHSA-N -1 1 309.286 0.876 20 5 DCBDMM C[C@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])[C@H]1CN(C)CCN1C ZINC001604363989 1169569658 /nfs/dbraw/zinc/56/96/58/1169569658.db2.gz JTRPVJMMNZUUFR-GXSJLCMTSA-N -1 1 323.353 0.734 20 5 DCBDMM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2sccc2-c2nn[nH]n2)n1 ZINC001606243878 1170133794 /nfs/dbraw/zinc/13/37/94/1170133794.db2.gz WRVWSXXDPFKINC-UHFFFAOYSA-N -1 1 320.294 0.822 20 5 DCBDMM Cn1ncc([N+](=O)[O-])c1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001606277654 1170146008 /nfs/dbraw/zinc/14/60/08/1170146008.db2.gz ZJSPYBKTLLADCI-UHFFFAOYSA-N -1 1 320.294 0.822 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@@H](CCCO)C1 ZINC001607077058 1170381497 /nfs/dbraw/zinc/38/14/97/1170381497.db2.gz KBINONMPFDVCJL-SECBINFHSA-N -1 1 319.325 0.769 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@@H](CCCO)C1 ZINC001607077058 1170381503 /nfs/dbraw/zinc/38/15/03/1170381503.db2.gz KBINONMPFDVCJL-SECBINFHSA-N -1 1 319.325 0.769 20 5 DCBDMM O=[N+]([O-])c1cc(NC[C@H](O)[C@H]2CCCO2)ccc1-c1nn[n-]n1 ZINC001607079291 1170382055 /nfs/dbraw/zinc/38/20/55/1170382055.db2.gz FNLWQWMLKBUNLD-NWDGAFQWSA-N -1 1 320.309 0.727 20 5 DCBDMM C[C@]1(O)CCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001609150637 1170828244 /nfs/dbraw/zinc/82/82/44/1170828244.db2.gz JONWNHXPKQXKLW-LBPRGKRZSA-N -1 1 305.298 0.318 20 5 DCBDMM C[C@]1(O)CCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001609150637 1170828254 /nfs/dbraw/zinc/82/82/54/1170828254.db2.gz JONWNHXPKQXKLW-LBPRGKRZSA-N -1 1 305.298 0.318 20 5 DCBDMM C[C@H]1OCC[C@@]1(O)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609179228 1170854348 /nfs/dbraw/zinc/85/43/48/1170854348.db2.gz NMECFHCAXUYOJZ-JMCQJSRRSA-N -1 1 321.297 0.122 20 5 DCBDMM C[C@H]1OCC[C@@]1(O)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609179228 1170854361 /nfs/dbraw/zinc/85/43/61/1170854361.db2.gz NMECFHCAXUYOJZ-JMCQJSRRSA-N -1 1 321.297 0.122 20 5 DCBDMM O=C(NC[C@H](CO)Cc1ccoc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001633264595 1171636745 /nfs/dbraw/zinc/63/67/45/1171636745.db2.gz CJUTWMYWCNVGJT-SNVBAGLBSA-N -1 1 321.289 0.869 20 5 DCBDMM O=C(NCC1CC2(C1)OCCO2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001651535678 1173750782 /nfs/dbraw/zinc/75/07/82/1173750782.db2.gz BHTVDSAZUKJXOQ-UHFFFAOYSA-N -1 1 309.278 0.578 20 5 DCBDMM Cc1cc([N+](=O)[O-])cnc1N[C@H]1C[C@H](NC(=O)c2cnn[nH]2)C1 ZINC001059458664 749199032 /nfs/dbraw/zinc/19/90/32/749199032.db2.gz PSNMLQZVWBGLCO-KYZUINATSA-N -1 1 317.309 0.789 20 5 DCBDMM COc1nc(C)nc(Nc2[n-]c(=O)nc3nc[nH]c32)c1[N+](=O)[O-] ZINC001170226175 762580765 /nfs/dbraw/zinc/58/07/65/762580765.db2.gz FCMOIZPCAGKPJH-UHFFFAOYSA-N -1 1 318.253 0.817 20 5 DCBDMM C[C@@H](O)CN1CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])[C@H](C)C1 ZINC001118284255 766277802 /nfs/dbraw/zinc/27/78/02/766277802.db2.gz LLVCZBIVGMZZIF-NXEZZACHSA-N -1 1 324.337 0.579 20 5 DCBDMM O=C(N[C@@H]1CC(=O)N(CC2CC2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001184190384 771753483 /nfs/dbraw/zinc/75/34/83/771753483.db2.gz BTPIWIPUMYWVSJ-SECBINFHSA-N -1 1 320.305 0.436 20 5 DCBDMM O=c1[n-]c2nc(=O)[nH]c(Nc3ncc([N+](=O)[O-])cc3F)c2[nH]1 ZINC001159186705 771873975 /nfs/dbraw/zinc/87/39/75/771873975.db2.gz YCGHQELYVPEOFT-UHFFFAOYSA-N -1 1 307.201 0.902 20 5 DCBDMM CCOC(=O)[C@H]1CC[C@@H](Oc2nc[n-]c(=O)c2[N+](=O)[O-])CO1 ZINC001228142183 776051562 /nfs/dbraw/zinc/05/15/62/776051562.db2.gz ZSSKKGWWEUHFER-HTQZYQBOSA-N -1 1 313.266 0.580 20 5 DCBDMM COC(=O)c1n[n-]c(O[C@@H](C)Cn2c(C)ncc2[N+](=O)[O-])n1 ZINC001228309805 776068652 /nfs/dbraw/zinc/06/86/52/776068652.db2.gz AFCLWMCMDJAFOM-LURJTMIESA-N -1 1 310.270 0.472 20 5 DCBDMM COC(=O)c1nc(O[C@@H](C)Cn2c(C)ncc2[N+](=O)[O-])n[n-]1 ZINC001228309805 776068657 /nfs/dbraw/zinc/06/86/57/776068657.db2.gz AFCLWMCMDJAFOM-LURJTMIESA-N -1 1 310.270 0.472 20 5 DCBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC2(COC(=O)N2)CC1 ZINC001321226590 946223522 /nfs/dbraw/zinc/22/35/22/946223522.db2.gz CUIIPPODNKHABA-UHFFFAOYSA-N -1 1 322.277 0.410 20 5 DCBDMM O=C(c1ccc([N+](=O)[O-])s1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001339793875 953119386 /nfs/dbraw/zinc/11/93/86/953119386.db2.gz ODEFYMGFVNTOGW-UHFFFAOYSA-N -1 1 324.322 0.293 20 5 DCBDMM C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001469696502 1016356253 /nfs/dbraw/zinc/35/62/53/1016356253.db2.gz JDTGYHPSMCDFJP-XLPZGREQSA-N -1 1 308.294 0.433 20 5 DCBDMM O=C(Cn1ccc([N+](=O)[O-])n1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001535591044 1011940516 /nfs/dbraw/zinc/94/05/16/1011940516.db2.gz CZBITXGWBYSGIQ-UHFFFAOYSA-N -1 1 318.293 0.804 20 5 DCBDMM Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC(c3nn[n-]n3)CC2)n1 ZINC001558026438 1012316472 /nfs/dbraw/zinc/31/64/72/1012316472.db2.gz FXVVSYQJBSHPSF-UHFFFAOYSA-N -1 1 317.309 0.831 20 5 DCBDMM COC[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1nn[n-]n1 ZINC001558340209 1012346925 /nfs/dbraw/zinc/34/69/25/1012346925.db2.gz YDMLHVLSVYRTKT-GZMMTYOYSA-N -1 1 320.309 0.715 20 5 DCBDMM CN(C(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2)c1nn[n-]n1 ZINC001539047694 1012427973 /nfs/dbraw/zinc/42/79/73/1012427973.db2.gz HRLUZKJRIVAXQN-UHFFFAOYSA-N -1 1 320.265 0.546 20 5 DCBDMM CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000274972492 212051154 /nfs/dbraw/zinc/05/11/54/212051154.db2.gz 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5 DCBDMM COC(=O)[C@H]1CCCN1c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001591283884 1167199847 /nfs/dbraw/zinc/19/98/47/1167199847.db2.gz XMWGBPQSGDFETI-ZCFIWIBFSA-N -1 1 324.322 0.978 20 5 DCBDMM COC(=O)[C@H]1CCCN1c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001591283884 1167199854 /nfs/dbraw/zinc/19/98/54/1167199854.db2.gz XMWGBPQSGDFETI-ZCFIWIBFSA-N -1 1 324.322 0.978 20 5 DCBDMM COc1ccc([N+](=O)[O-])cc1Cn1cc(-c2nn[n-]n2)nn1 ZINC001591622766 1167340725 /nfs/dbraw/zinc/34/07/25/1167340725.db2.gz BOAPEMQHGLBOSM-UHFFFAOYSA-N -1 1 302.254 0.423 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCO[C@@H](CCF)C1 ZINC001593466114 1167852713 /nfs/dbraw/zinc/85/27/13/1167852713.db2.gz MGHVDKKEIUYNBD-QMMMGPOBSA-N -1 1 323.288 0.735 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCO[C@@H](CCF)C1 ZINC001593466114 1167852727 /nfs/dbraw/zinc/85/27/27/1167852727.db2.gz MGHVDKKEIUYNBD-QMMMGPOBSA-N -1 1 323.288 0.735 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCc2nc[nH]c2C1 ZINC001593466123 1167855837 /nfs/dbraw/zinc/85/58/37/1167855837.db2.gz MQAASQAURCYLTD-UHFFFAOYSA-N -1 1 313.281 0.456 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1C[C@@H]2COC[C@@H]2C1 ZINC001593466617 1167857984 /nfs/dbraw/zinc/85/79/84/1167857984.db2.gz VAZLEXJGWHRQHU-OCAPTIKFSA-N -1 1 303.282 0.253 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1C[C@@H]2COC[C@@H]2C1 ZINC001593466617 1167857990 /nfs/dbraw/zinc/85/79/90/1167857990.db2.gz VAZLEXJGWHRQHU-OCAPTIKFSA-N -1 1 303.282 0.253 20 5 DCBDMM O=[N+]([O-])c1ccc(NCCn2cnc(-c3nn[n-]n3)n2)cc1 ZINC001593478378 1167868441 /nfs/dbraw/zinc/86/84/41/1167868441.db2.gz DKWUXHDHQUGONM-UHFFFAOYSA-N -1 1 301.270 0.479 20 5 DCBDMM O=[N+]([O-])c1cn(Cc2cn3ccccc3n2)nc1-c1nn[n-]n1 ZINC001593485449 1167868949 /nfs/dbraw/zinc/86/89/49/1167868949.db2.gz BVVGPPDNZUDFHO-UHFFFAOYSA-N -1 1 311.265 0.667 20 5 DCBDMM O=[N+]([O-])c1cn(Cc2ncc(C3CC3)o2)nc1-c1nn[n-]n1 ZINC001593485681 1167869571 /nfs/dbraw/zinc/86/95/71/1167869571.db2.gz FPIIMLMYGFWTKA-UHFFFAOYSA-N -1 1 302.254 0.885 20 5 DCBDMM O=[N+]([O-])c1ccn(-c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)n1 ZINC001593486628 1167872965 /nfs/dbraw/zinc/87/29/65/1167872965.db2.gz DIROIGDAXCEHLX-UHFFFAOYSA-N -1 1 302.210 0.869 20 5 DCBDMM O=C([O-])c1cn(CCNCc2ccc([N+](=O)[O-])cc2F)nn1 ZINC001602505211 1169100134 /nfs/dbraw/zinc/10/01/34/1169100134.db2.gz DKJUGQOEFYLETL-UHFFFAOYSA-N -1 1 309.257 0.813 20 5 DCBDMM Cc1cc(NC[C@@]2(O)CCOC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605730043 1169993456 /nfs/dbraw/zinc/99/34/56/1169993456.db2.gz HARHWPPGXALKQD-ZDUSSCGKSA-N -1 1 320.309 0.647 20 5 DCBDMM Cc1cc(NC[C@@]2(O)CCOC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605730043 1169993457 /nfs/dbraw/zinc/99/34/57/1169993457.db2.gz HARHWPPGXALKQD-ZDUSSCGKSA-N -1 1 320.309 0.647 20 5 DCBDMM COC(=O)[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC001606428375 1170197492 /nfs/dbraw/zinc/19/74/92/1170197492.db2.gz CSUDOVCYQNCQGJ-WDEREUQCSA-N -1 1 308.290 0.900 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC2(C1)CCCOC2 ZINC001607077272 1170383043 /nfs/dbraw/zinc/38/30/43/1170383043.db2.gz OBQDKZRUQIMFEW-UHFFFAOYSA-N -1 1 317.309 0.787 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC2(C1)CCCOC2 ZINC001607077272 1170383050 /nfs/dbraw/zinc/38/30/50/1170383050.db2.gz OBQDKZRUQIMFEW-UHFFFAOYSA-N -1 1 317.309 0.787 20 5 DCBDMM O=[N+]([O-])c1ccc(N2CC[C@](F)(CO)C2)cc1-c1nnn[n-]1 ZINC001607081301 1170384922 /nfs/dbraw/zinc/38/49/22/1170384922.db2.gz HCKHMCATDHRECS-GFCCVEGCSA-N -1 1 308.273 0.686 20 5 DCBDMM O=[N+]([O-])c1ccc(N2CC[C@](F)(CO)C2)cc1-c1nn[n-]n1 ZINC001607081301 1170384927 /nfs/dbraw/zinc/38/49/27/1170384927.db2.gz HCKHMCATDHRECS-GFCCVEGCSA-N -1 1 308.273 0.686 20 5 DCBDMM COc1ccccc1C[C@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)[O-] ZINC001607343614 1170431175 /nfs/dbraw/zinc/43/11/75/1170431175.db2.gz SYECGYDYHJYGNE-IJLUTSLNSA-N -1 1 322.317 0.720 20 5 DCBDMM CCN(OC)C(=O)CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609226645 1170877896 /nfs/dbraw/zinc/87/78/96/1170877896.db2.gz NGWMKVRKVSHWDO-UHFFFAOYSA-N -1 1 321.297 0.597 20 5 DCBDMM O=[N+]([O-])c1cc(N2CCO[C@@H](CF)C2)ccc1-c1nn[n-]n1 ZINC001609601474 1171040504 /nfs/dbraw/zinc/04/05/04/1171040504.db2.gz YJLWQCYXMKGQGR-VIFPVBQESA-N -1 1 308.273 0.950 20 5 DCBDMM Cc1[nH]nc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC001610403976 1171232477 /nfs/dbraw/zinc/23/24/77/1171232477.db2.gz LHMYCNQBIFXFHE-LAEOZQHASA-N -1 1 308.294 0.952 20 5 DCBDMM O=C(NC1CN(c2ccncn2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001611626617 1171358435 /nfs/dbraw/zinc/35/84/35/1171358435.db2.gz OWGMHJHOPBSHCN-UHFFFAOYSA-N -1 1 316.277 0.104 20 5 DCBDMM O=C(N[C@H](CO)C[C@H]1CCCO1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001644831883 1172022234 /nfs/dbraw/zinc/02/22/34/1172022234.db2.gz ZZDSYOIUTXMCDE-VHSXEESVSA-N -1 1 311.294 0.355 20 5 DCBDMM CNC(=O)N[C@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC001645203940 1172030889 /nfs/dbraw/zinc/03/08/89/1172030889.db2.gz IZMHJVOBHWQMTI-VIFPVBQESA-N -1 1 323.309 0.229 20 5 DCBDMM CN(C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1nn[n-]n1 ZINC001131172828 763682917 /nfs/dbraw/zinc/68/29/17/763682917.db2.gz UMTCYHHWLUFHBT-JTQLQIEISA-N -1 1 317.265 0.264 20 5 DCBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1CCCCNC1=O ZINC001142939725 768674082 /nfs/dbraw/zinc/67/40/82/768674082.db2.gz KHTBJLZMNHSBDU-VIFPVBQESA-N -1 1 308.294 0.436 20 5 DCBDMM Cc1nc(C(N)=O)c(O[C@H](C[N+](=O)[O-])c2cccnc2)c(=O)[n-]1 ZINC001234470764 769664331 /nfs/dbraw/zinc/66/43/31/769664331.db2.gz XFNPMGJHRNOHFZ-SECBINFHSA-N -1 1 319.277 0.381 20 5 DCBDMM Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@H](c3nn[n-]n3)C2)n1 ZINC001153000412 769690445 /nfs/dbraw/zinc/69/04/45/769690445.db2.gz DAJUQWMDELNZJN-QMMMGPOBSA-N -1 1 303.282 0.441 20 5 DCBDMM O=c1[n-]c2nc(=O)[nH]c(Nc3nc(Cl)ncc3[N+](=O)[O-])c2[nH]1 ZINC001159185813 771872751 /nfs/dbraw/zinc/87/27/51/771872751.db2.gz YGOPDDHCZSCHAP-UHFFFAOYSA-N -1 1 324.644 0.811 20 5 DCBDMM Cc1noc(C2CN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)n1 ZINC001320783065 946016996 /nfs/dbraw/zinc/01/69/96/946016996.db2.gz HWJKUGNMWYRUKZ-UHFFFAOYSA-N -1 1 305.250 0.626 20 5 DCBDMM CCc1[nH]nc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC001593625736 953548708 /nfs/dbraw/zinc/54/87/08/953548708.db2.gz SGZZSMVTCAFIPD-FUXBKTLASA-N -1 1 324.293 0.054 20 5 DCBDMM O=C(N[C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001471125947 1016532649 /nfs/dbraw/zinc/53/26/49/1016532649.db2.gz ZWQULZVWGCUNMA-NMBWXRGZSA-N -1 1 305.290 0.849 20 5 DCBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@]2(CCOC2=O)C1 ZINC001558846137 1012388485 /nfs/dbraw/zinc/38/84/85/1012388485.db2.gz HUQJKGSGKFILIA-CYBMUJFWSA-N -1 1 307.262 0.475 20 5 DCBDMM O=C(CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)NC1CCCCC1 ZINC000479663619 241075948 /nfs/dbraw/zinc/07/59/48/241075948.db2.gz ZOPNBGMJELRYFT-UHFFFAOYSA-N -1 1 322.321 0.874 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-]CC2(O)CCC2)c([N+](=O)[O-])n1 ZINC000339041820 253024564 /nfs/dbraw/zinc/02/45/64/253024564.db2.gz PCYAXEXUIWFCHM-UHFFFAOYSA-N -1 1 304.328 0.005 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-][C@H](CO)CC(C)C)c([N+](=O)[O-])n1 ZINC000339049970 253026119 /nfs/dbraw/zinc/02/61/19/253026119.db2.gz XASBWPCEKKNGRD-VIFPVBQESA-N -1 1 320.371 0.497 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-]CCC2(O)CCC2)c([N+](=O)[O-])n1 ZINC000341110716 253345026 /nfs/dbraw/zinc/34/50/26/253345026.db2.gz CDWIIPDUXILSTB-UHFFFAOYSA-N -1 1 318.355 0.395 20 5 DCBDMM NC(=O)C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000351220108 254334526 /nfs/dbraw/zinc/33/45/26/254334526.db2.gz DEORWHGQVWRKSE-MRVPVSSYSA-N -1 1 308.294 0.423 20 5 DCBDMM CCCN1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1=O ZINC000276713078 396023351 /nfs/dbraw/zinc/02/33/51/396023351.db2.gz ZUXCHSYQPBJZBP-UHFFFAOYSA-N -1 1 322.321 0.780 20 5 DCBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@]12CCOC2=O ZINC000277926822 396095306 /nfs/dbraw/zinc/09/53/06/396095306.db2.gz APRFCVFUHSJAPH-CYBMUJFWSA-N -1 1 307.262 0.617 20 5 DCBDMM COC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000279505510 396179930 /nfs/dbraw/zinc/17/99/30/396179930.db2.gz PQCGHROLGXQXCG-KOLCDFICSA-N -1 1 311.294 0.619 20 5 DCBDMM Cc1nnc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)n1C1CC1 ZINC000186441733 396350073 /nfs/dbraw/zinc/35/00/73/396350073.db2.gz MVFMOGQXYUEGMA-UHFFFAOYSA-N -1 1 318.293 0.860 20 5 DCBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000598748455 397289749 /nfs/dbraw/zinc/28/97/49/397289749.db2.gz KWJAJQPLGBLUOV-WCABBAIRSA-N -1 1 307.306 0.928 20 5 DCBDMM O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000578437120 397435317 /nfs/dbraw/zinc/43/53/17/397435317.db2.gz SHUJDQMNVZFAMA-LURJTMIESA-N -1 1 308.254 0.426 20 5 DCBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(N)=O ZINC000119521044 158188644 /nfs/dbraw/zinc/18/86/44/158188644.db2.gz ZAKPKIAVUJOKNM-YFKPBYRVSA-N -1 1 307.715 0.400 20 5 DCBDMM C[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nncn1C ZINC000356878727 159254333 /nfs/dbraw/zinc/25/43/33/159254333.db2.gz XJUUBFNCQNHMDV-ZETCQYMHSA-N -1 1 306.282 0.357 20 5 DCBDMM O=C(NCCc1csc(=O)[nH]1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000357062642 416028466 /nfs/dbraw/zinc/02/84/66/416028466.db2.gz VYLGGZGEEHGLIA-UHFFFAOYSA-N -1 1 310.291 0.830 20 5 DCBDMM O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425296742 416693178 /nfs/dbraw/zinc/69/31/78/416693178.db2.gz HBUWHTDEAXXHSU-LURJTMIESA-N -1 1 308.254 0.426 20 5 DCBDMM CC(=O)NC[C@@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000445173372 416890411 /nfs/dbraw/zinc/89/04/11/416890411.db2.gz OGPRDFCZNNSCTN-JTQLQIEISA-N -1 1 322.321 0.684 20 5 DCBDMM O=C(c1ccccc1[N+](=O)[O-])N1CCO[C@H](c2nn[n-]n2)C1 ZINC000370863463 262154322 /nfs/dbraw/zinc/15/43/22/262154322.db2.gz WCAOEFSGFNJFJR-JTQLQIEISA-N -1 1 304.266 0.322 20 5 DCBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000363605758 271196559 /nfs/dbraw/zinc/19/65/59/271196559.db2.gz ICYXVDPMWMYKQI-VXGBXAGGSA-N -1 1 323.305 0.715 20 5 DCBDMM Nc1c(C(=O)NC2(c3nn[n-]n3)CCCC2)cccc1[N+](=O)[O-] ZINC000487069100 272036943 /nfs/dbraw/zinc/03/69/43/272036943.db2.gz QYVJFYADUFTNAR-UHFFFAOYSA-N -1 1 317.309 0.889 20 5 DCBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCN2C(=O)OCC[C@H]2C1 ZINC000494132983 272210762 /nfs/dbraw/zinc/21/07/62/272210762.db2.gz KKODPAANECEWNZ-QMMMGPOBSA-N -1 1 322.277 0.362 20 5 DCBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCOC[C@H]1[C@@H]1CCCO1 ZINC000376218953 280227763 /nfs/dbraw/zinc/22/77/63/280227763.db2.gz LVZJDCYYGRAGBO-RYUDHWBXSA-N -1 1 323.305 0.715 20 5 DCBDMM C[C@@H](CO[C@@H]1CCOC1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000267844026 524820794 /nfs/dbraw/zinc/82/07/94/524820794.db2.gz CGEAOMDSEQXEHO-WCBMZHEXSA-N -1 1 311.294 0.619 20 5 DCBDMM CC(C)C(=O)NCCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000824184739 607841739 /nfs/dbraw/zinc/84/17/39/607841739.db2.gz KAZTUPCKNYIYDB-UHFFFAOYSA-N -1 1 319.325 0.959 20 5 DCBDMM CC(C)C(=O)NCCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000824184739 607841740 /nfs/dbraw/zinc/84/17/40/607841740.db2.gz KAZTUPCKNYIYDB-UHFFFAOYSA-N -1 1 319.325 0.959 20 5 DCBDMM CN1CCN(C)CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000888988332 657513293 /nfs/dbraw/zinc/51/32/93/657513293.db2.gz KTBVCNLKZVIBAT-UHFFFAOYSA-N -1 1 322.365 0.620 20 5 DCBDMM CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000048707692 661960853 /nfs/dbraw/zinc/96/08/53/661960853.db2.gz RENSAUBPTVQOEC-ZCFIWIBFSA-N -1 1 305.287 0.147 20 5 DCBDMM Cc1c([N+](=O)[O-])cc(C(=O)[N-]N2CCOC2=O)cc1[N+](=O)[O-] ZINC000862704539 667073033 /nfs/dbraw/zinc/07/30/33/667073033.db2.gz OCMOHTVCWYHACW-UHFFFAOYSA-N -1 1 310.222 0.908 20 5 DCBDMM CC1(C)OCC([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CO1 ZINC000758630135 668187745 /nfs/dbraw/zinc/18/77/45/668187745.db2.gz KCDFKLGEIZRUCZ-UHFFFAOYSA-N -1 1 317.323 0.420 20 5 DCBDMM COc1cccc(C(=O)OCc2nc(=O)n(C)[n-]2)c1[N+](=O)[O-] ZINC000769604765 668654961 /nfs/dbraw/zinc/65/49/61/668654961.db2.gz RPKZGVSWXFVLMB-UHFFFAOYSA-N -1 1 308.250 0.382 20 5 DCBDMM Cc1c([N+](=O)[O-])cc(C(=O)[N-]N2CN=NC2=O)cc1[N+](=O)[O-] ZINC000782129320 669081832 /nfs/dbraw/zinc/08/18/32/669081832.db2.gz SBMIOUYKLLCKLQ-UHFFFAOYSA-N -1 1 308.210 0.492 20 5 DCBDMM CC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1=O ZINC000784874963 669225950 /nfs/dbraw/zinc/22/59/50/669225950.db2.gz JNCXVPWZVQILNA-ZDUSSCGKSA-N -1 1 322.277 0.666 20 5 DCBDMM Cn1cncc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000809852116 670464571 /nfs/dbraw/zinc/46/45/71/670464571.db2.gz XVGYXLOBEOSDAU-UHFFFAOYSA-N -1 1 302.337 0.868 20 5 DCBDMM CO[C@@](C)(CO)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000848466522 670687961 /nfs/dbraw/zinc/68/79/61/670687961.db2.gz DLKKUZPEBUEYEA-LLVKDONJSA-N -1 1 322.314 0.410 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1-n1cnc(CCCO)c1 ZINC000823612485 671402118 /nfs/dbraw/zinc/40/21/18/671402118.db2.gz AEDXLWKBFPMFFB-UHFFFAOYSA-N -1 1 316.281 0.281 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1-n1cnc(CCCO)c1 ZINC000823612485 671402121 /nfs/dbraw/zinc/40/21/21/671402121.db2.gz AEDXLWKBFPMFFB-UHFFFAOYSA-N -1 1 316.281 0.281 20 5 DCBDMM CC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)NC ZINC000832746120 671738754 /nfs/dbraw/zinc/73/87/54/671738754.db2.gz QZNCEFDRWCAFBS-MRVPVSSYSA-N -1 1 319.314 0.537 20 5 DCBDMM O=C([N-]S(=O)(=O)c1ccnc(Cl)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000842331236 672005622 /nfs/dbraw/zinc/00/56/22/672005622.db2.gz YWUIAJGCGRKNKV-RNFRBKRXSA-N -1 1 305.699 0.205 20 5 DCBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1C[C@@H](O)C1 ZINC000720992885 685317186 /nfs/dbraw/zinc/31/71/86/685317186.db2.gz OOFRLNWQLRWNTR-OCAPTIKFSA-N -1 1 304.299 0.783 20 5 DCBDMM O=C(N[C@@H]1CCCC(F)(F)[C@H]1O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001648845853 1157426878 /nfs/dbraw/zinc/42/68/78/1157426878.db2.gz WRSWLHSSXZTQGX-BDAKNGLRSA-N -1 1 317.248 0.974 20 5 DCBDMM O=C(CCCc1nn[n-]n1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001540836983 1159801769 /nfs/dbraw/zinc/80/17/69/1159801769.db2.gz QANWBAZPOWINKE-UHFFFAOYSA-N -1 1 319.325 0.659 20 5 DCBDMM C[C@H]1C[C@H](CO)CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001575977740 1164199286 /nfs/dbraw/zinc/19/92/86/1164199286.db2.gz NZBRSXOYQUNAJQ-IUCAKERBSA-N -1 1 319.325 0.625 20 5 DCBDMM C[C@H]1C[C@H](CO)CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001575977740 1164199298 /nfs/dbraw/zinc/19/92/98/1164199298.db2.gz NZBRSXOYQUNAJQ-IUCAKERBSA-N -1 1 319.325 0.625 20 5 DCBDMM C[C@@H]1C[C@H](CO)CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001575977735 1164200363 /nfs/dbraw/zinc/20/03/63/1164200363.db2.gz NZBRSXOYQUNAJQ-BDAKNGLRSA-N -1 1 319.325 0.625 20 5 DCBDMM C[C@@H]1C[C@H](CO)CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001575977735 1164200370 /nfs/dbraw/zinc/20/03/70/1164200370.db2.gz NZBRSXOYQUNAJQ-BDAKNGLRSA-N -1 1 319.325 0.625 20 5 DCBDMM CN(Cc1nncn1C)c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001579266564 1165256841 /nfs/dbraw/zinc/25/68/41/1165256841.db2.gz SJBCUKROHJZZQS-UHFFFAOYSA-N -1 1 315.297 0.540 20 5 DCBDMM CN(Cc1nncn1C)c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001579266564 1165256849 /nfs/dbraw/zinc/25/68/49/1165256849.db2.gz SJBCUKROHJZZQS-UHFFFAOYSA-N -1 1 315.297 0.540 20 5 DCBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1CCCCN(C)C1=O ZINC001586860486 1166500482 /nfs/dbraw/zinc/50/04/82/1166500482.db2.gz LYLKTWVCMRSKNF-JTQLQIEISA-N -1 1 322.321 0.778 20 5 DCBDMM CC(=O)NCCN(C)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001588864405 1166610713 /nfs/dbraw/zinc/61/07/13/1166610713.db2.gz GYPXVQDDBFPGKO-UHFFFAOYSA-N -1 1 311.327 0.409 20 5 DCBDMM CC(=O)NCCN(C)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001588864405 1166610716 /nfs/dbraw/zinc/61/07/16/1166610716.db2.gz GYPXVQDDBFPGKO-UHFFFAOYSA-N -1 1 311.327 0.409 20 5 DCBDMM C[C@H]1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)[C@H]1CO ZINC001590274966 1166834461 /nfs/dbraw/zinc/83/44/61/1166834461.db2.gz TXUUYYOBLUQSHF-UFBFGSQYSA-N -1 1 304.310 0.982 20 5 DCBDMM C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@H](CO)O1 ZINC001590316985 1166861340 /nfs/dbraw/zinc/86/13/40/1166861340.db2.gz WVQWNNUMJUQCHP-WCBMZHEXSA-N -1 1 320.309 0.361 20 5 DCBDMM C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@H](CO)O1 ZINC001590316985 1166861343 /nfs/dbraw/zinc/86/13/43/1166861343.db2.gz WVQWNNUMJUQCHP-WCBMZHEXSA-N -1 1 320.309 0.361 20 5 DCBDMM CC[C@H](CCO)Nc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590439285 1166905874 /nfs/dbraw/zinc/90/58/74/1166905874.db2.gz NEYLZPQXTZMXIC-SSDOTTSWSA-N -1 1 307.314 0.930 20 5 DCBDMM CC[C@H](CCO)Nc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590439285 1166905883 /nfs/dbraw/zinc/90/58/83/1166905883.db2.gz NEYLZPQXTZMXIC-SSDOTTSWSA-N -1 1 307.314 0.930 20 5 DCBDMM CCN(C)C(=O)CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590676887 1166966474 /nfs/dbraw/zinc/96/64/74/1166966474.db2.gz PYJVEPLYENZZBB-UHFFFAOYSA-N -1 1 311.327 0.727 20 5 DCBDMM CCN(C)C(=O)CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590676887 1166966479 /nfs/dbraw/zinc/96/64/79/1166966479.db2.gz PYJVEPLYENZZBB-UHFFFAOYSA-N -1 1 311.327 0.727 20 5 DCBDMM CN(CC1(CO)CC1)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591053161 1167093979 /nfs/dbraw/zinc/09/39/79/1167093979.db2.gz NGJUVLRNYHYJHY-UHFFFAOYSA-N -1 1 304.310 0.984 20 5 DCBDMM CN(CC1(CO)CC1)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591053161 1167093986 /nfs/dbraw/zinc/09/39/86/1167093986.db2.gz NGJUVLRNYHYJHY-UHFFFAOYSA-N -1 1 304.310 0.984 20 5 DCBDMM CO[C@@H]1CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCO1 ZINC001591364322 1167238498 /nfs/dbraw/zinc/23/84/98/1167238498.db2.gz ZDAADAQRHUISCO-QMMMGPOBSA-N -1 1 312.311 0.646 20 5 DCBDMM CO[C@@H]1CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCO1 ZINC001591364322 1167238504 /nfs/dbraw/zinc/23/85/04/1167238504.db2.gz ZDAADAQRHUISCO-QMMMGPOBSA-N -1 1 312.311 0.646 20 5 DCBDMM CO[C@@H]1COC[C@@H]1Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591472141 1167302223 /nfs/dbraw/zinc/30/22/23/1167302223.db2.gz UHRHCOPLLPVVCR-GXSJLCMTSA-N -1 1 306.282 0.601 20 5 DCBDMM CO[C@@H]1COC[C@@H]1Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591472141 1167302228 /nfs/dbraw/zinc/30/22/28/1167302228.db2.gz UHRHCOPLLPVVCR-GXSJLCMTSA-N -1 1 306.282 0.601 20 5 DCBDMM Cc1c(C(=O)n2ncc(-c3nn[n-]n3)c2N)cccc1[N+](=O)[O-] ZINC001591815336 1167385951 /nfs/dbraw/zinc/38/59/51/1167385951.db2.gz VTONKSVJBIRERM-UHFFFAOYSA-N -1 1 314.265 0.551 20 5 DCBDMM Cc1cc(N(C)CCC(N)=O)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591995885 1167430780 /nfs/dbraw/zinc/43/07/80/1167430780.db2.gz QFZHZEYRTBXYQZ-UHFFFAOYSA-N -1 1 305.298 0.395 20 5 DCBDMM Cc1cc(N(C)CCC(N)=O)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591995885 1167430782 /nfs/dbraw/zinc/43/07/82/1167430782.db2.gz QFZHZEYRTBXYQZ-UHFFFAOYSA-N -1 1 305.298 0.395 20 5 DCBDMM Cc1cc(NC[C@@](C)(O)CO)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592038114 1167441027 /nfs/dbraw/zinc/44/10/27/1167441027.db2.gz BWZPWMJMLVPJGW-GFCCVEGCSA-N -1 1 308.298 0.239 20 5 DCBDMM Cc1cc(NC[C@@](C)(O)CO)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592038114 1167441033 /nfs/dbraw/zinc/44/10/33/1167441033.db2.gz BWZPWMJMLVPJGW-GFCCVEGCSA-N -1 1 308.298 0.239 20 5 DCBDMM Cc1nn(C)c(NC(=O)CCC(C)(C)[N+](=O)[O-])c1-c1nnn[n-]1 ZINC001592433830 1167519318 /nfs/dbraw/zinc/51/93/18/1167519318.db2.gz KHTUIPBRXDGOIL-UHFFFAOYSA-N -1 1 322.329 0.683 20 5 DCBDMM Cc1nn(C)c(NC(=O)CCC(C)(C)[N+](=O)[O-])c1-c1nn[n-]n1 ZINC001592433830 1167519321 /nfs/dbraw/zinc/51/93/21/1167519321.db2.gz KHTUIPBRXDGOIL-UHFFFAOYSA-N -1 1 322.329 0.683 20 5 DCBDMM Cn1cc(CNc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)cn1 ZINC001592573171 1167565120 /nfs/dbraw/zinc/56/51/20/1167565120.db2.gz UVWQFCADUOPHRX-UHFFFAOYSA-N -1 1 315.297 0.703 20 5 DCBDMM Cn1cc(CNc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)cn1 ZINC001592573171 1167565124 /nfs/dbraw/zinc/56/51/24/1167565124.db2.gz UVWQFCADUOPHRX-UHFFFAOYSA-N -1 1 315.297 0.703 20 5 DCBDMM O=C1O[C@H](Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)CC12CC2 ZINC001593413752 1167825944 /nfs/dbraw/zinc/82/59/44/1167825944.db2.gz ZRTAJKAUUVNTOT-LURJTMIESA-N -1 1 305.254 0.067 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NC[C@@H](O)c1c[nH]cn1 ZINC001593489110 1167873247 /nfs/dbraw/zinc/87/32/47/1167873247.db2.gz WCRSTIYZAMHVPM-SSDOTTSWSA-N -1 1 322.310 0.705 20 5 DCBDMM 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DCBDMM Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000546124231 288015962 /nfs/dbraw/zinc/01/59/62/288015962.db2.gz OFCCGLRLHAXQRP-ZETCQYMHSA-N -1 1 318.297 0.105 20 5 DCBDMM COc1cccc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c1[N+](=O)[O-] ZINC000444365420 295282828 /nfs/dbraw/zinc/28/28/28/295282828.db2.gz BORIUQAMSDNUOQ-MRVPVSSYSA-N -1 1 320.309 0.992 20 5 DCBDMM CC(C)(CO)CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000583304088 337312524 /nfs/dbraw/zinc/31/25/24/337312524.db2.gz DQIQHLYCBBWNMT-UHFFFAOYSA-N -1 1 303.340 0.677 20 5 DCBDMM C[C@H](CN(C)C(=O)COc1ccccc1[N+](=O)[O-])c1nn[n-]n1 ZINC000124519932 524279004 /nfs/dbraw/zinc/27/90/04/524279004.db2.gz ZBYHJPHKWYUWHV-SECBINFHSA-N -1 1 320.309 0.749 20 5 DCBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCOCCO ZINC000157656602 527321664 /nfs/dbraw/zinc/32/16/64/527321664.db2.gz FIHJTOSKXCWTTH-UHFFFAOYSA-N -1 1 308.287 0.021 20 5 DCBDMM O=C(N=c1cc[nH]cc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])o1 ZINC000738194222 599253990 /nfs/dbraw/zinc/25/39/90/599253990.db2.gz AHDXGZSWNAZTDL-UHFFFAOYSA-N -1 1 301.222 0.437 20 5 DCBDMM O=C([O-])C[C@H]1CSCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000833221412 601890643 /nfs/dbraw/zinc/89/06/43/601890643.db2.gz LJZUBGCXAFUWGR-VIFPVBQESA-N -1 1 300.340 0.683 20 5 DCBDMM CS(=O)(=O)CCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821926890 606645658 /nfs/dbraw/zinc/64/56/58/606645658.db2.gz OHDMBYCQXGWWSJ-UHFFFAOYSA-N -1 1 312.311 0.231 20 5 DCBDMM COC(=O)[C@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821655026 606699594 /nfs/dbraw/zinc/69/95/94/606699594.db2.gz CSXZRXUREHPMGZ-ZETCQYMHSA-N -1 1 319.281 0.169 20 5 DCBDMM COC(=O)[C@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821655026 606699596 /nfs/dbraw/zinc/69/95/96/606699596.db2.gz CSXZRXUREHPMGZ-ZETCQYMHSA-N -1 1 319.281 0.169 20 5 DCBDMM CCCOC(=O)CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821127076 606708011 /nfs/dbraw/zinc/70/80/11/606708011.db2.gz ARHGESPWLSKDDV-UHFFFAOYSA-N -1 1 321.297 0.925 20 5 DCBDMM CCCOC(=O)CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821127076 606708013 /nfs/dbraw/zinc/70/80/13/606708013.db2.gz ARHGESPWLSKDDV-UHFFFAOYSA-N -1 1 321.297 0.925 20 5 DCBDMM CC[C@H](C)[C@H](O)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820864354 606709178 /nfs/dbraw/zinc/70/91/78/606709178.db2.gz YNBOADGEIGEEPW-IONNQARKSA-N -1 1 307.314 0.989 20 5 DCBDMM CC[C@H](C)[C@H](O)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820864354 606709180 /nfs/dbraw/zinc/70/91/80/606709180.db2.gz YNBOADGEIGEEPW-IONNQARKSA-N -1 1 307.314 0.989 20 5 DCBDMM Cc1nc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])no1 ZINC000822444160 606710955 /nfs/dbraw/zinc/71/09/55/606710955.db2.gz DSKDVBGRSDZREE-UHFFFAOYSA-N -1 1 303.242 0.473 20 5 DCBDMM Cc1nc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])no1 ZINC000822444160 606710957 /nfs/dbraw/zinc/71/09/57/606710957.db2.gz DSKDVBGRSDZREE-UHFFFAOYSA-N -1 1 303.242 0.473 20 5 DCBDMM O=C1OCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000728293056 662374528 /nfs/dbraw/zinc/37/45/28/662374528.db2.gz XDFMSNULTPFJRN-ZETCQYMHSA-N -1 1 320.710 0.842 20 5 DCBDMM Cn1[n-]c(COC(=O)c2cc(F)cc([N+](=O)[O-])c2N)nc1=O ZINC000765466450 668493532 /nfs/dbraw/zinc/49/35/32/668493532.db2.gz XCTAVILPRXVVGR-UHFFFAOYSA-N -1 1 311.229 0.095 20 5 DCBDMM O=C(COC(=O)c1cn[n-]n1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000805608533 668899882 /nfs/dbraw/zinc/89/98/82/668899882.db2.gz FZNAUKXDQAECEW-UHFFFAOYSA-N -1 1 317.261 0.459 20 5 DCBDMM C[C@@H](OC(=O)c1cn[n-]n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000805608837 668900028 /nfs/dbraw/zinc/90/00/28/668900028.db2.gz JMNKJDRVVQXQSA-SSDOTTSWSA-N -1 1 305.250 0.897 20 5 DCBDMM O=C1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CN1 ZINC000780836763 669012185 /nfs/dbraw/zinc/01/21/85/669012185.db2.gz HDSQXMJARNQDOU-SSDOTTSWSA-N -1 1 319.726 0.415 20 5 DCBDMM C[C@H]([N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000848582500 670697974 /nfs/dbraw/zinc/69/79/74/670697974.db2.gz MUVSGJQGBBMRJT-LURJTMIESA-N -1 1 303.221 0.556 20 5 DCBDMM CNC(=O)[C@H](C)[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848589870 670699439 /nfs/dbraw/zinc/69/94/39/670699439.db2.gz HJCPNYCKWXSXFX-ZETCQYMHSA-N -1 1 317.248 0.817 20 5 DCBDMM C[S@@](=O)CCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000116901700 671137847 /nfs/dbraw/zinc/13/78/47/671137847.db2.gz NEMSNYDLICRAFD-IBGZPJMESA-N -1 1 324.355 0.781 20 5 DCBDMM O=C([N-]S(=O)(=O)Cc1c(F)cccc1F)[C@@H]1CC1[N+](=O)[O-] ZINC000842325459 672005652 /nfs/dbraw/zinc/00/56/52/672005652.db2.gz YLDZUGBCWHLXEV-LHLIQPBNSA-N -1 1 320.273 0.576 20 5 DCBDMM O=C([N-]S(=O)(=O)c1cncc(Cl)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000842325958 672005854 /nfs/dbraw/zinc/00/58/54/672005854.db2.gz DMRAGMJSMKVJPT-HTQZYQBOSA-N -1 1 305.699 0.205 20 5 DCBDMM CCOC(=O)[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000134394997 685120982 /nfs/dbraw/zinc/12/09/82/685120982.db2.gz OHCUSQUGVGPUNG-ZETCQYMHSA-N -1 1 320.298 0.964 20 5 DCBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCCn2nncc2C1 ZINC001649061705 1158628613 /nfs/dbraw/zinc/62/86/13/1158628613.db2.gz VBOWGVDGOLWWPM-UHFFFAOYSA-N -1 1 304.266 0.333 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001582802107 1166086071 /nfs/dbraw/zinc/08/60/71/1166086071.db2.gz JQIQKORHWQAETL-FKTZTGRPSA-N -1 1 317.309 0.377 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001582802107 1166086075 /nfs/dbraw/zinc/08/60/75/1166086075.db2.gz JQIQKORHWQAETL-FKTZTGRPSA-N -1 1 317.309 0.377 20 5 DCBDMM CC(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001588824398 1166600737 /nfs/dbraw/zinc/60/07/37/1166600737.db2.gz KOTCBCKAFWWDGV-SNVBAGLBSA-N -1 1 317.309 0.808 20 5 DCBDMM CC(=O)NCCCNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001588860960 1166610580 /nfs/dbraw/zinc/61/05/80/1166610580.db2.gz DYGRVWNIYCFOIN-UHFFFAOYSA-N -1 1 320.313 0.295 20 5 DCBDMM CC(=O)NCCCNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001588860960 1166610586 /nfs/dbraw/zinc/61/05/86/1166610586.db2.gz DYGRVWNIYCFOIN-UHFFFAOYSA-N -1 1 320.313 0.295 20 5 DCBDMM CC(CO)(CO)CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001589881262 1166706352 /nfs/dbraw/zinc/70/63/52/1166706352.db2.gz IBSMLAKZLISLHC-UHFFFAOYSA-N -1 1 308.298 0.178 20 5 DCBDMM CC(CO)(CO)CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001589881262 1166706356 /nfs/dbraw/zinc/70/63/56/1166706356.db2.gz IBSMLAKZLISLHC-UHFFFAOYSA-N -1 1 308.298 0.178 20 5 DCBDMM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@@H](CO)O1 ZINC001590316984 1166859592 /nfs/dbraw/zinc/85/95/92/1166859592.db2.gz WVQWNNUMJUQCHP-SCZZXKLOSA-N -1 1 320.309 0.361 20 5 DCBDMM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@@H](CO)O1 ZINC001590316984 1166859597 /nfs/dbraw/zinc/85/95/97/1166859597.db2.gz WVQWNNUMJUQCHP-SCZZXKLOSA-N -1 1 320.309 0.361 20 5 DCBDMM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@H](CO)O1 ZINC001590316983 1166860228 /nfs/dbraw/zinc/86/02/28/1166860228.db2.gz WVQWNNUMJUQCHP-PSASIEDQSA-N -1 1 320.309 0.361 20 5 DCBDMM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@H](CO)O1 ZINC001590316983 1166860233 /nfs/dbraw/zinc/86/02/33/1166860233.db2.gz WVQWNNUMJUQCHP-PSASIEDQSA-N -1 1 320.309 0.361 20 5 DCBDMM C[C@@H]1CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC(=O)N1C ZINC001590315570 1166860555 /nfs/dbraw/zinc/86/05/55/1166860555.db2.gz XLIYPJHFOBLFJL-ZCFIWIBFSA-N -1 1 323.338 0.503 20 5 DCBDMM C[C@@H]1CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC(=O)N1C ZINC001590315570 1166860563 /nfs/dbraw/zinc/86/05/63/1166860563.db2.gz XLIYPJHFOBLFJL-ZCFIWIBFSA-N -1 1 323.338 0.503 20 5 DCBDMM CC[C@@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])C(=O)NC ZINC001590471697 1166918431 /nfs/dbraw/zinc/91/84/31/1166918431.db2.gz LWNSERSKRRWWNV-RXMQYKEDSA-N -1 1 311.327 0.773 20 5 DCBDMM CC[C@@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])C(=O)NC ZINC001590471697 1166918437 /nfs/dbraw/zinc/91/84/37/1166918437.db2.gz LWNSERSKRRWWNV-RXMQYKEDSA-N -1 1 311.327 0.773 20 5 DCBDMM CN(C)C(=O)NCCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591003121 1167071995 /nfs/dbraw/zinc/07/19/95/1167071995.db2.gz DBKMGEIOLSXUMC-UHFFFAOYSA-N -1 1 320.313 0.458 20 5 DCBDMM COC(=O)N(C)CCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591271231 1167190634 /nfs/dbraw/zinc/19/06/34/1167190634.db2.gz KRVPIINZJGKMQN-UHFFFAOYSA-N -1 1 321.297 0.885 20 5 DCBDMM COC(=O)N(C)CCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591271231 1167190638 /nfs/dbraw/zinc/19/06/38/1167190638.db2.gz KRVPIINZJGKMQN-UHFFFAOYSA-N -1 1 321.297 0.885 20 5 DCBDMM CO[C@](C)(CO)CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591318913 1167212738 /nfs/dbraw/zinc/21/27/38/1167212738.db2.gz ODMAPZLNGZFWQZ-LBPRGKRZSA-N -1 1 308.298 0.584 20 5 DCBDMM CON(C)C(=O)CNc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591462161 1167296179 /nfs/dbraw/zinc/29/61/79/1167296179.db2.gz BXMFZDMUNAGLGL-UHFFFAOYSA-N -1 1 321.297 0.515 20 5 DCBDMM CON(C)C(=O)CNc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591462161 1167296183 /nfs/dbraw/zinc/29/61/83/1167296183.db2.gz BXMFZDMUNAGLGL-UHFFFAOYSA-N -1 1 321.297 0.515 20 5 DCBDMM Cc1cc(N(C)[C@H]2CCNC2=O)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591993829 1167431132 /nfs/dbraw/zinc/43/11/32/1167431132.db2.gz KGRGGNUTOHDSCJ-JTQLQIEISA-N -1 1 317.309 0.408 20 5 DCBDMM Cc1cc(N(C)[C@H]2CCNC2=O)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591993829 1167431133 /nfs/dbraw/zinc/43/11/33/1167431133.db2.gz KGRGGNUTOHDSCJ-JTQLQIEISA-N -1 1 317.309 0.408 20 5 DCBDMM Cc1cc(N2C[C@@H]3C[C@]3(O)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591999308 1167432427 /nfs/dbraw/zinc/43/24/27/1167432427.db2.gz CUTRYADDIYLGQA-SDBXPKJASA-N -1 1 302.294 0.654 20 5 DCBDMM Cc1cc(N2C[C@@H]3C[C@]3(O)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591999308 1167432432 /nfs/dbraw/zinc/43/24/32/1167432432.db2.gz CUTRYADDIYLGQA-SDBXPKJASA-N -1 1 302.294 0.654 20 5 DCBDMM Cn1c(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])n[nH]c1=O ZINC001592552981 1167558113 /nfs/dbraw/zinc/55/81/13/1167558113.db2.gz YBHAFSMGFIEMMA-UHFFFAOYSA-N -1 1 323.298 0.283 20 5 DCBDMM Cn1c(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])n[nH]c1=O ZINC001592552981 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DCBDMM CCC[C@@](C)(NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000600664717 396908345 /nfs/dbraw/zinc/90/83/45/396908345.db2.gz GISLVVRWNYIWNL-SNVBAGLBSA-N -1 1 320.327 0.250 20 5 DCBDMM Cc1cccc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c1[N+](=O)[O-] ZINC000370890315 397522534 /nfs/dbraw/zinc/52/25/34/397522534.db2.gz CXYRREUGHDJZNS-JTQLQIEISA-N -1 1 318.293 0.630 20 5 DCBDMM CN(C)CC(=O)N1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000330422411 159170941 /nfs/dbraw/zinc/17/09/41/159170941.db2.gz HKJSRUNMBNTLHS-UHFFFAOYSA-N -1 1 322.365 0.506 20 5 DCBDMM O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000367485361 159340660 /nfs/dbraw/zinc/34/06/60/159340660.db2.gz LIHBXTOARQCMCF-OTYXRUKQSA-N -1 1 323.305 0.763 20 5 DCBDMM C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[S@@]1=O ZINC000408386828 160097611 /nfs/dbraw/zinc/09/76/11/160097611.db2.gz VQDYKBWNIYVRPP-ZEDNOMKYSA-N -1 1 313.335 0.679 20 5 DCBDMM Cn1[n-]c(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc1=O ZINC000353483338 415563726 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DCBDMM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CNCCO1 ZINC000423742044 416556253 /nfs/dbraw/zinc/55/62/53/416556253.db2.gz KWVFHEVEOGIOSN-VIFPVBQESA-N -1 1 301.686 0.881 20 5 DCBDMM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445146804 416886692 /nfs/dbraw/zinc/88/66/92/416886692.db2.gz YUPWIYDYMXLWES-IUCAKERBSA-N -1 1 308.294 0.340 20 5 DCBDMM C[C@H]1COCCN1CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445180613 416890005 /nfs/dbraw/zinc/89/00/05/416890005.db2.gz LLBOSDNFLSGBPU-VIFPVBQESA-N -1 1 310.310 0.146 20 5 DCBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)[C@@H]2CCCO2)s1 ZINC000447941254 417049282 /nfs/dbraw/zinc/04/92/82/417049282.db2.gz KEWKDMBGWHLNHE-YUMQZZPRSA-N -1 1 322.364 0.475 20 5 DCBDMM CC[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@@H](O)CC ZINC000580523297 417708830 /nfs/dbraw/zinc/70/88/30/417708830.db2.gz GTCYWGMJOFDQGT-BDAKNGLRSA-N -1 1 303.340 0.818 20 5 DCBDMM O=C(NCc1nnnn1CC1CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000354652415 261251716 /nfs/dbraw/zinc/25/17/16/261251716.db2.gz QUSMAZDAVIAGRT-UHFFFAOYSA-N -1 1 319.281 0.022 20 5 DCBDMM COC(=O)[C@@H]1CCCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000362373932 262027458 /nfs/dbraw/zinc/02/74/58/262027458.db2.gz RBPSGARPVJJMJI-VIFPVBQESA-N -1 1 309.278 0.863 20 5 DCBDMM O=C(C=Cc1ccccc1[N+](=O)[O-])NC1(c2nn[n-]n2)CC1 ZINC000492035284 272113681 /nfs/dbraw/zinc/11/36/81/272113681.db2.gz WFFYMCPXIVVKKQ-WAYWQWQTSA-N -1 1 300.278 0.927 20 5 DCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCC[C@H]1CCO ZINC000547968617 288096643 /nfs/dbraw/zinc/09/66/43/288096643.db2.gz JDOHULONEUBAPL-UWVGGRQHSA-N -1 1 315.351 0.819 20 5 DCBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000332232438 280227697 /nfs/dbraw/zinc/22/76/97/280227697.db2.gz MMXUTWZERFPMAD-JMJZKYOTSA-N -1 1 307.306 0.928 20 5 DCBDMM CC(C)CN1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1=O ZINC000275661916 535100711 /nfs/dbraw/zinc/10/07/11/535100711.db2.gz YFYZBASPXYMMDL-UHFFFAOYSA-N -1 1 322.321 0.636 20 5 DCBDMM NC(=O)C1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC000826390126 607448749 /nfs/dbraw/zinc/44/87/49/607448749.db2.gz QNYNLJCXKPQQOX-UHFFFAOYSA-N -1 1 317.309 0.477 20 5 DCBDMM NC(=O)C1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC000826390126 607448751 /nfs/dbraw/zinc/44/87/51/607448751.db2.gz QNYNLJCXKPQQOX-UHFFFAOYSA-N -1 1 317.309 0.477 20 5 DCBDMM O=C([O-])C[C@H]1CSCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000833222053 601886883 /nfs/dbraw/zinc/88/68/83/601886883.db2.gz RSDFSQRFHOQEPW-VIFPVBQESA-N -1 1 300.340 0.683 20 5 DCBDMM NC(=O)c1ccc(CN[C@]2(C(=O)[O-])CCOC2)c([N+](=O)[O-])c1 ZINC000833762570 604491076 /nfs/dbraw/zinc/49/10/76/604491076.db2.gz PAMLFFABRKYQBD-CYBMUJFWSA-N -1 1 309.278 0.027 20 5 DCBDMM O=C([O-])NC[C@H]1CCCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000834221188 605959005 /nfs/dbraw/zinc/95/90/05/605959005.db2.gz SQHTVCKCMJKRSX-LLVKDONJSA-N -1 1 324.337 0.879 20 5 DCBDMM NC(=O)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC000822860076 606645082 /nfs/dbraw/zinc/64/50/82/606645082.db2.gz MVOIBVPGUCYSMG-MRVPVSSYSA-N -1 1 317.309 0.477 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@@H](CCO)C1 ZINC000823620919 606712810 /nfs/dbraw/zinc/71/28/10/606712810.db2.gz STOXHLYGZBYEKW-QMMMGPOBSA-N -1 1 305.298 0.379 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@@H](CCO)C1 ZINC000823620919 606712811 /nfs/dbraw/zinc/71/28/11/606712811.db2.gz STOXHLYGZBYEKW-QMMMGPOBSA-N -1 1 305.298 0.379 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1C=C[C@H](CO)C1 ZINC000823625598 606716033 /nfs/dbraw/zinc/71/60/33/606716033.db2.gz ZCOQCGLRRHGGNE-JGVFFNPUSA-N -1 1 303.282 0.519 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1C=C[C@H](CO)C1 ZINC000823625598 606716035 /nfs/dbraw/zinc/71/60/35/606716035.db2.gz ZCOQCGLRRHGGNE-JGVFFNPUSA-N -1 1 303.282 0.519 20 5 DCBDMM COc1cc(Cn2cnc(-c3nn[n-]n3)n2)ccc1[N+](=O)[O-] ZINC000826179859 609418891 /nfs/dbraw/zinc/41/88/91/609418891.db2.gz IHWQANGOAMGWGD-UHFFFAOYSA-N -1 1 302.254 0.423 20 5 DCBDMM C[C@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])N1CCN(C)CC1 ZINC000737670694 662414170 /nfs/dbraw/zinc/41/41/70/662414170.db2.gz PQACHVNFQIUMQV-SNVBAGLBSA-N -1 1 323.353 0.736 20 5 DCBDMM C[C@@H]1C[C@H]([N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C(=O)O1 ZINC000914577213 664805185 /nfs/dbraw/zinc/80/51/85/664805185.db2.gz PQRUTWIVPDDVQK-KCJUWKMLSA-N -1 1 314.319 0.718 20 5 DCBDMM C[C@H](C(=O)OCc1nc(=O)n(C)[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000763398731 668408578 /nfs/dbraw/zinc/40/85/78/668408578.db2.gz KMOBAJODSOPBHL-QMMMGPOBSA-N -1 1 306.278 0.864 20 5 DCBDMM O=C(OC[C@H]1CCS(=O)(=O)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000788957853 669465006 /nfs/dbraw/zinc/46/50/06/669465006.db2.gz PHYGUYDLMUJGAL-MRVPVSSYSA-N -1 1 315.303 0.892 20 5 DCBDMM CCN(OC)C(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000828173915 671546626 /nfs/dbraw/zinc/54/66/26/671546626.db2.gz KGFOSHLOSJYGOD-UHFFFAOYSA-N -1 1 323.352 0.345 20 5 DCBDMM C[C@H](C(=O)NC1CCCC1)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001588972427 1166624482 /nfs/dbraw/zinc/62/44/82/1166624482.db2.gz KLJIQXMUOSTAIF-SSDOTTSWSA-N -1 1 320.313 0.591 20 5 DCBDMM CC(C)[C@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])C(N)=O ZINC001589765974 1166686727 /nfs/dbraw/zinc/68/67/27/1166686727.db2.gz SCYRUTLXMMHMKV-ZETCQYMHSA-N -1 1 311.327 0.758 20 5 DCBDMM CC(C)[C@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])C(N)=O ZINC001589765974 1166686733 /nfs/dbraw/zinc/68/67/33/1166686733.db2.gz SCYRUTLXMMHMKV-ZETCQYMHSA-N -1 1 311.327 0.758 20 5 DCBDMM C[C@H](O)[C@H]1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001589995955 1166743776 /nfs/dbraw/zinc/74/37/76/1166743776.db2.gz NTSQCAZNAAHKLP-YUMQZZPRSA-N -1 1 319.325 0.564 20 5 DCBDMM C[C@H](O)[C@H]1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001589995955 1166743782 /nfs/dbraw/zinc/74/37/82/1166743782.db2.gz NTSQCAZNAAHKLP-YUMQZZPRSA-N -1 1 319.325 0.564 20 5 DCBDMM C[C@H]1OCC[C@@]1(O)CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001590333880 1166869996 /nfs/dbraw/zinc/86/99/96/1166869996.db2.gz LLWKTESVRCPGEL-AMIZOPFISA-N -1 1 320.309 0.727 20 5 DCBDMM C[C@H]1OCC[C@@]1(O)CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001590333880 1166870004 /nfs/dbraw/zinc/87/00/04/1166870004.db2.gz LLWKTESVRCPGEL-AMIZOPFISA-N -1 1 320.309 0.727 20 5 DCBDMM CC[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)C(=O)NC ZINC001590474055 1166920624 /nfs/dbraw/zinc/92/06/24/1166920624.db2.gz WKAQYWDRSYNVGZ-SECBINFHSA-N -1 1 305.298 0.711 20 5 DCBDMM CC[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)C(=O)NC ZINC001590474055 1166920629 /nfs/dbraw/zinc/92/06/29/1166920629.db2.gz WKAQYWDRSYNVGZ-SECBINFHSA-N -1 1 305.298 0.711 20 5 DCBDMM CCCCCCNC(=O)Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001590595082 1166946116 /nfs/dbraw/zinc/94/61/16/1166946116.db2.gz RYCRSMCKUZYIDL-UHFFFAOYSA-N -1 1 322.329 0.668 20 5 DCBDMM CNC(=O)[C@@H]1CCCN1c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001591203851 1167152802 /nfs/dbraw/zinc/15/28/02/1167152802.db2.gz MCSYGWXQGSWQJX-LURJTMIESA-N -1 1 323.338 0.551 20 5 DCBDMM CNC(=O)[C@@H]1CCCN1c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001591203851 1167152807 /nfs/dbraw/zinc/15/28/07/1167152807.db2.gz MCSYGWXQGSWQJX-LURJTMIESA-N -1 1 323.338 0.551 20 5 DCBDMM CNC(=O)CCSc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591208180 1167157485 /nfs/dbraw/zinc/15/74/85/1167157485.db2.gz CGVLCHSTPUUABS-UHFFFAOYSA-N -1 1 309.311 0.398 20 5 DCBDMM CNC(=O)CCSc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591208180 1167157490 /nfs/dbraw/zinc/15/74/90/1167157490.db2.gz CGVLCHSTPUUABS-UHFFFAOYSA-N -1 1 309.311 0.398 20 5 DCBDMM CO[C@H]1CCCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001591354389 1167231020 /nfs/dbraw/zinc/23/10/20/1167231020.db2.gz MLNUYXRSWVSISM-VIFPVBQESA-N -1 1 319.325 0.972 20 5 DCBDMM CO[C@H]1CCCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001591354389 1167231026 /nfs/dbraw/zinc/23/10/26/1167231026.db2.gz MLNUYXRSWVSISM-VIFPVBQESA-N -1 1 319.325 0.972 20 5 DCBDMM C[C@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])C(=O)N(C)C ZINC001591770845 1167372519 /nfs/dbraw/zinc/37/25/19/1167372519.db2.gz JZYQHGJXWFVPEB-YFKPBYRVSA-N -1 1 311.327 0.725 20 5 DCBDMM C[C@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])C(=O)N(C)C ZINC001591770845 1167372524 /nfs/dbraw/zinc/37/25/24/1167372524.db2.gz JZYQHGJXWFVPEB-YFKPBYRVSA-N -1 1 311.327 0.725 20 5 DCBDMM Cc1cc(N2CCNC(=O)[C@@H]2C)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592007329 1167433339 /nfs/dbraw/zinc/43/33/39/1167433339.db2.gz NSEHFLSEQMUTRL-QMMMGPOBSA-N -1 1 317.309 0.408 20 5 DCBDMM Cc1cc(N2CCNC(=O)[C@@H]2C)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592007329 1167433342 /nfs/dbraw/zinc/43/33/42/1167433342.db2.gz NSEHFLSEQMUTRL-QMMMGPOBSA-N -1 1 317.309 0.408 20 5 DCBDMM Cc1cc(N2CN(C)C(=O)[C@@H]2C)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592010206 1167434340 /nfs/dbraw/zinc/43/43/40/1167434340.db2.gz OEXQGNGAXWNBDY-QMMMGPOBSA-N -1 1 317.309 0.708 20 5 DCBDMM Cc1cc(N2CN(C)C(=O)[C@@H]2C)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592010206 1167434342 /nfs/dbraw/zinc/43/43/42/1167434342.db2.gz OEXQGNGAXWNBDY-QMMMGPOBSA-N -1 1 317.309 0.708 20 5 DCBDMM Cc1cc(NCc2cnnn2C)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592053451 1167446732 /nfs/dbraw/zinc/44/67/32/1167446732.db2.gz CNTSPFDTDMDUOX-UHFFFAOYSA-N -1 1 315.297 0.824 20 5 DCBDMM Cc1cc(NCc2cnnn2C)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592053451 1167446736 /nfs/dbraw/zinc/44/67/36/1167446736.db2.gz CNTSPFDTDMDUOX-UHFFFAOYSA-N -1 1 315.297 0.824 20 5 DCBDMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001592752752 1167631825 /nfs/dbraw/zinc/63/18/25/1167631825.db2.gz BSEQRCOUMVRFPE-UHFFFAOYSA-N -1 1 306.267 0.304 20 5 DCBDMM Nc1cc(NC[C@H]2CC[C@@H](O)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592760445 1167635386 /nfs/dbraw/zinc/63/53/86/1167635386.db2.gz YGGFOUPIUKKMSH-IONNQARKSA-N -1 1 319.325 0.930 20 5 DCBDMM Nc1cc(NC[C@H]2CC[C@@H](O)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592760445 1167635389 /nfs/dbraw/zinc/63/53/89/1167635389.db2.gz YGGFOUPIUKKMSH-IONNQARKSA-N -1 1 319.325 0.930 20 5 DCBDMM Nc1cc(NC2CCOCC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759702 1167636521 /nfs/dbraw/zinc/63/65/21/1167636521.db2.gz HOQSRVQGSHBHFK-UHFFFAOYSA-N -1 1 305.298 0.948 20 5 DCBDMM Nc1cc(NC2CCOCC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759702 1167636525 /nfs/dbraw/zinc/63/65/25/1167636525.db2.gz HOQSRVQGSHBHFK-UHFFFAOYSA-N -1 1 305.298 0.948 20 5 DCBDMM O=C(OCCn1cc([N+](=O)[O-])cn1)c1ccc(-c2nn[n-]n2)o1 ZINC001593291393 1167764578 /nfs/dbraw/zinc/76/45/78/1167764578.db2.gz NGWZIKXGEONFDS-UHFFFAOYSA-N -1 1 319.237 0.421 20 5 DCBDMM O=C1NCCCC[C@H]1Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001593407995 1167817604 /nfs/dbraw/zinc/81/76/04/1167817604.db2.gz IEXPRHYDAQOORU-ZCFIWIBFSA-N -1 1 323.338 0.917 20 5 DCBDMM O=C1NCCCC[C@H]1Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001593407995 1167817611 /nfs/dbraw/zinc/81/76/11/1167817611.db2.gz IEXPRHYDAQOORU-ZCFIWIBFSA-N -1 1 323.338 0.917 20 5 DCBDMM O=c1ccc([N+](=O)[O-])cn1Cc1nc(-c2nnn[n-]2)cs1 ZINC001593497548 1167881102 /nfs/dbraw/zinc/88/11/02/1167881102.db2.gz KGAMYHPUNWHPEM-UHFFFAOYSA-N -1 1 305.279 0.441 20 5 DCBDMM O=c1ccc([N+](=O)[O-])cn1Cc1nc(-c2nn[n-]n2)cs1 ZINC001593497548 1167881107 /nfs/dbraw/zinc/88/11/07/1167881107.db2.gz KGAMYHPUNWHPEM-UHFFFAOYSA-N -1 1 305.279 0.441 20 5 DCBDMM CCOC[C@H](C(=O)[O-])N(C)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC001596879209 1167997746 /nfs/dbraw/zinc/99/77/46/1167997746.db2.gz ZKIAFYWSOYRSGA-MRVPVSSYSA-N -1 1 314.298 0.442 20 5 DCBDMM O=C([O-])[C@@H]1OCC[C@@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001601329408 1168709960 /nfs/dbraw/zinc/70/99/60/1168709960.db2.gz RLUAVPXIGJYPHW-JOYOIKCWSA-N -1 1 309.278 0.365 20 5 DCBDMM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@@H]([C@H]2CCCO2)C1 ZINC001601824042 1168905677 /nfs/dbraw/zinc/90/56/77/1168905677.db2.gz ANYIYALSJNDPAH-LZQZFOIKSA-N -1 1 312.322 0.522 20 5 DCBDMM O=C([O-])C[C@]1(NCC(=O)Nc2ccccc2[N+](=O)[O-])CCOC1 ZINC001601932479 1168938996 /nfs/dbraw/zinc/93/89/96/1168938996.db2.gz BSJWEGIOWSYPJS-CQSZACIVSA-N -1 1 323.305 0.757 20 5 DCBDMM CCC[C@@H](C)NC(=O)[C@H](C)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001604137479 1169503519 /nfs/dbraw/zinc/50/35/19/1169503519.db2.gz OHGCHLSHWXBTFC-SFYZADRCSA-N -1 1 322.329 0.837 20 5 DCBDMM CN1C[C@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCC1=O ZINC001604846508 1169707185 /nfs/dbraw/zinc/70/71/85/1169707185.db2.gz MBSNEFXKDVTRNS-SECBINFHSA-N -1 1 317.309 0.808 20 5 DCBDMM CN1C[C@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCC1=O ZINC001604846508 1169707192 /nfs/dbraw/zinc/70/71/92/1169707192.db2.gz MBSNEFXKDVTRNS-SECBINFHSA-N -1 1 317.309 0.808 20 5 DCBDMM CNC(=O)CCCN(C)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001604880170 1169729141 /nfs/dbraw/zinc/72/91/41/1169729141.db2.gz TWPWLSJXNQAJOK-UHFFFAOYSA-N -1 1 319.325 0.737 20 5 DCBDMM COC(=O)C1(C)CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001604915444 1169742069 /nfs/dbraw/zinc/74/20/69/1169742069.db2.gz QSFGXWHHZADNHF-UHFFFAOYSA-N -1 1 319.281 0.169 20 5 DCBDMM COC(=O)C1(C)CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001604915444 1169742077 /nfs/dbraw/zinc/74/20/77/1169742077.db2.gz QSFGXWHHZADNHF-UHFFFAOYSA-N -1 1 319.281 0.169 20 5 DCBDMM COC(=O)NCCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001604950428 1169761039 /nfs/dbraw/zinc/76/10/39/1169761039.db2.gz BCOPMYPMKFLRJO-UHFFFAOYSA-N -1 1 307.270 0.543 20 5 DCBDMM COC(=O)NCCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001604950428 1169761044 /nfs/dbraw/zinc/76/10/44/1169761044.db2.gz BCOPMYPMKFLRJO-UHFFFAOYSA-N -1 1 307.270 0.543 20 5 DCBDMM COC[C@H](O)CCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001605059052 1169799880 /nfs/dbraw/zinc/79/98/80/1169799880.db2.gz JADITCONLXSJQC-SECBINFHSA-N -1 1 308.298 0.584 20 5 DCBDMM COC[C@H](O)CCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001605059052 1169799887 /nfs/dbraw/zinc/79/98/87/1169799887.db2.gz JADITCONLXSJQC-SECBINFHSA-N -1 1 308.298 0.584 20 5 DCBDMM CN(CC1CN(C)C1)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001606203927 1170111408 /nfs/dbraw/zinc/11/14/08/1170111408.db2.gz YSWZOHIALYPRCJ-UHFFFAOYSA-N -1 1 307.306 0.927 20 5 DCBDMM O=C([O-])C[C@@H]1C(=O)NCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC001608690272 1170737549 /nfs/dbraw/zinc/73/75/49/1170737549.db2.gz FTDOLOOYLSELNS-LLVKDONJSA-N -1 1 309.278 0.076 20 5 DCBDMM CC(C)C1(O)CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001609091727 1170805965 /nfs/dbraw/zinc/80/59/65/1170805965.db2.gz TZYDYMQUFIBTRL-UHFFFAOYSA-N -1 1 304.310 0.982 20 5 DCBDMM CC(C)C1(O)CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001609091727 1170805973 /nfs/dbraw/zinc/80/59/73/1170805973.db2.gz TZYDYMQUFIBTRL-UHFFFAOYSA-N -1 1 304.310 0.982 20 5 DCBDMM C[C@@]1(CO)CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001609149177 1170827153 /nfs/dbraw/zinc/82/71/53/1170827153.db2.gz CGPCFDXVUZFOMB-CYBMUJFWSA-N -1 1 319.325 0.769 20 5 DCBDMM C[C@@]1(CO)CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001609149177 1170827157 /nfs/dbraw/zinc/82/71/57/1170827157.db2.gz CGPCFDXVUZFOMB-CYBMUJFWSA-N -1 1 319.325 0.769 20 5 DCBDMM COCC[C@@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)C(N)=O ZINC001609321719 1170935143 /nfs/dbraw/zinc/93/51/43/1170935143.db2.gz MJRBRIUZNIXCMF-SECBINFHSA-N -1 1 321.297 0.077 20 5 DCBDMM Cc1nnsc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609462441 1170988632 /nfs/dbraw/zinc/98/86/32/1170988632.db2.gz UHRABRXTYSRAML-UHFFFAOYSA-N -1 1 319.310 0.942 20 5 DCBDMM Cc1nnsc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609462441 1170988635 /nfs/dbraw/zinc/98/86/35/1170988635.db2.gz UHRABRXTYSRAML-UHFFFAOYSA-N -1 1 319.310 0.942 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC(OC(F)F)C1 ZINC001609599586 1171037676 /nfs/dbraw/zinc/03/76/76/1171037676.db2.gz LRYOFYOWZODEHB-UHFFFAOYSA-N -1 1 313.224 0.598 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC(OC(F)F)C1 ZINC001609599586 1171037684 /nfs/dbraw/zinc/03/76/84/1171037684.db2.gz LRYOFYOWZODEHB-UHFFFAOYSA-N -1 1 313.224 0.598 20 5 DCBDMM O=[N+]([O-])c1ccc(NC2COCCOC2)cc1-c1nnn[n-]1 ZINC001609601900 1171039495 /nfs/dbraw/zinc/03/94/95/1171039495.db2.gz HDGVNKGJTIGZGV-UHFFFAOYSA-N -1 1 306.282 0.602 20 5 DCBDMM O=[N+]([O-])c1ccc(NC2COCCOC2)cc1-c1nn[n-]n1 ZINC001609601900 1171039502 /nfs/dbraw/zinc/03/95/02/1171039502.db2.gz HDGVNKGJTIGZGV-UHFFFAOYSA-N -1 1 306.282 0.602 20 5 DCBDMM CN(Cc1nnc[nH]1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001610122107 1171164130 /nfs/dbraw/zinc/16/41/30/1171164130.db2.gz MGKGZYJXKFITJC-UHFFFAOYSA-N -1 1 321.293 0.808 20 5 DCBDMM CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](C(=O)[O-])C1 ZINC001610136157 1171170065 /nfs/dbraw/zinc/17/00/65/1171170065.db2.gz AKNQUFRMYIXPAQ-NSHDSACASA-N -1 1 307.306 0.683 20 5 DCBDMM CN1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H](C(=O)[O-])C1 ZINC001610137092 1171172494 /nfs/dbraw/zinc/17/24/94/1171172494.db2.gz SXCWQPFUTGUHHN-SNVBAGLBSA-N -1 1 322.321 0.265 20 5 DCBDMM COC[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1nn[n-]n1 ZINC001634621445 1171679981 /nfs/dbraw/zinc/67/99/81/1171679981.db2.gz GMMILCZBOCJJPK-LLVKDONJSA-N -1 1 320.309 0.544 20 5 DCBDMM Cc1nc(NCc2nc3c(c(=O)[n-]2)COCC3)ncc1[N+](=O)[O-] ZINC001643091649 1171965143 /nfs/dbraw/zinc/96/51/43/1171965143.db2.gz MIBNTRUQKLTNGY-UHFFFAOYSA-N -1 1 318.293 0.874 20 5 DCBDMM O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001643386615 1171973961 /nfs/dbraw/zinc/97/39/61/1171973961.db2.gz FVKXZEPNCKWUAL-ZETCQYMHSA-N -1 1 306.257 0.877 20 5 DCBDMM O=C(N[C@@H]1CCCC12OCCO2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001645954558 1172195699 /nfs/dbraw/zinc/19/56/99/1172195699.db2.gz ROLMFJCESHLXOT-SNVBAGLBSA-N -1 1 309.278 0.721 20 5 DCBDMM Cc1nnc([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)[nH]1 ZINC001651077421 1173738696 /nfs/dbraw/zinc/73/86/96/1173738696.db2.gz GAUGETXYJHSQKA-MRVPVSSYSA-N -1 1 318.293 0.752 20 5 DCBDMM C[C@@](CO)(NC(=O)c1cnncc1[O-])c1cccc([N+](=O)[O-])c1 ZINC001151596780 769375541 /nfs/dbraw/zinc/37/55/41/769375541.db2.gz SVEGPJDCVSHDAZ-AWEZNQCLSA-N -1 1 318.289 0.728 20 5 DCBDMM O=c1cc(O[C@@H]2COc3nc([N+](=O)[O-])cn3C2)[nH]c(=S)[n-]1 ZINC001225765193 775715429 /nfs/dbraw/zinc/71/54/29/775715429.db2.gz IBYRIEIOFARAEM-YFKPBYRVSA-N -1 1 311.279 0.416 20 5 DCBDMM CCOC(=O)[C@H]1CC[C@H](Oc2nc[n-]c(=O)c2[N+](=O)[O-])CO1 ZINC001228142184 776051963 /nfs/dbraw/zinc/05/19/63/776051963.db2.gz ZSSKKGWWEUHFER-JGVFFNPUSA-N -1 1 313.266 0.580 20 5 DCBDMM CN1CCN(C)[C@@H](CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001326692142 948249360 /nfs/dbraw/zinc/24/93/60/948249360.db2.gz CRMVBQHRCWSFET-LBPRGKRZSA-N -1 1 322.365 0.880 20 5 DCBDMM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCCN2CCN(C)CC2)n1 ZINC001327207385 948421492 /nfs/dbraw/zinc/42/14/92/948421492.db2.gz YRQZFBZHLMRYKO-UHFFFAOYSA-N -1 1 323.353 0.656 20 5 DCBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(CCO)Cc1cccnc1 ZINC001295238670 957664371 /nfs/dbraw/zinc/66/43/71/957664371.db2.gz XUMNWIWUBXQINN-UHFFFAOYSA-N -1 1 318.289 0.725 20 5 DCBDMM CCC[C@H](CCO)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC001464270497 1015895798 /nfs/dbraw/zinc/89/57/98/1015895798.db2.gz JWLWBVUKQDAWEZ-SECBINFHSA-N -1 1 303.340 0.819 20 5 DCBDMM CCn1ncn([N-]C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1=O ZINC001468547964 1016263347 /nfs/dbraw/zinc/26/33/47/1016263347.db2.gz ULVMOIYSGJWXDO-UHFFFAOYSA-N -1 1 316.277 0.838 20 5 DCBDMM CSCC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])c1nn[n-]n1 ZINC001453784548 1008717474 /nfs/dbraw/zinc/71/74/74/1008717474.db2.gz VFQFVUMXSGCKBL-QMMMGPOBSA-N -1 1 316.387 0.946 20 5 DCBDMM Cn1cnnc1[C@@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC001455330545 1009663329 /nfs/dbraw/zinc/66/33/29/1009663329.db2.gz GAJILQXYQDEYPZ-MRVPVSSYSA-N -1 1 318.293 0.454 20 5 DCBDMM COC[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1C)c1nn[n-]n1 ZINC001455725512 1009932490 /nfs/dbraw/zinc/93/24/90/1009932490.db2.gz AJSZYIHOCIKSNN-JTQLQIEISA-N -1 1 320.309 0.463 20 5 DCBDMM C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])O1 ZINC000569213237 291466653 /nfs/dbraw/zinc/46/66/53/291466653.db2.gz SZISEPGYCGVCNE-IUCAKERBSA-N -1 1 301.324 0.836 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-]C[C@H](C)C[C@@H](C)O)c([N+](=O)[O-])n1 ZINC000339040959 253023869 /nfs/dbraw/zinc/02/38/69/253023869.db2.gz KFHJZHMBVAALPM-RKDXNWHRSA-N -1 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ZINC000332226837 415304521 /nfs/dbraw/zinc/30/45/21/415304521.db2.gz KWJAJQPLGBLUOV-IQJOONFLSA-N -1 1 307.306 0.928 20 5 DCBDMM CCC[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1nn[n-]n1 ZINC000343719889 415700101 /nfs/dbraw/zinc/70/01/01/415700101.db2.gz GCVFNWUVEGLQRN-VIFPVBQESA-N -1 1 308.302 0.352 20 5 DCBDMM CC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000126811533 415878184 /nfs/dbraw/zinc/87/81/84/415878184.db2.gz JJVFVKYNBOPZGV-MRVPVSSYSA-N -1 1 319.364 0.555 20 5 DCBDMM COCCOCCCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000356264775 415893525 /nfs/dbraw/zinc/89/35/25/415893525.db2.gz WRKJBLWCPPFBEY-UHFFFAOYSA-N -1 1 313.310 0.868 20 5 DCBDMM Cc1nn(C)c(C)c1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000175294138 416103019 /nfs/dbraw/zinc/10/30/19/416103019.db2.gz BLAOAWSRNMBGQS-UHFFFAOYSA-N -1 1 305.294 0.976 20 5 DCBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(O)(C(F)F)CC1 ZINC000331200314 416285814 /nfs/dbraw/zinc/28/58/14/416285814.db2.gz UZDJKXRFQJPXSZ-UHFFFAOYSA-N -1 1 317.248 0.928 20 5 DCBDMM CN1CC[C@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1=O ZINC000424960166 416676696 /nfs/dbraw/zinc/67/66/96/416676696.db2.gz OHHRQKPAGVZUTB-QMMMGPOBSA-N -1 1 308.294 0.294 20 5 DCBDMM Cc1cc(NC(=O)c2cnc([O-])c([N+](=O)[O-])c2)c(=O)n(C)c1 ZINC000444987911 416878669 /nfs/dbraw/zinc/87/86/69/416878669.db2.gz OWVFKCNMMIRJOS-UHFFFAOYSA-N -1 1 304.262 0.955 20 5 DCBDMM Cn1c(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)nnc1C1CC1 ZINC000445140823 416887648 /nfs/dbraw/zinc/88/76/48/416887648.db2.gz PHPBSUDGNIDJLV-UHFFFAOYSA-N -1 1 318.293 0.631 20 5 DCBDMM CC[C@@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])[C@@H](O)CC ZINC000451979075 417424511 /nfs/dbraw/zinc/42/45/11/417424511.db2.gz QINYWKZFCRYYLL-BDAKNGLRSA-N -1 1 320.371 0.639 20 5 DCBDMM O=C(NCCN1C[C@H]2CC[C@@H](C1)O2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000456196887 417632066 /nfs/dbraw/zinc/63/20/66/417632066.db2.gz DBVQHXFQUXJGAA-PHIMTYICSA-N -1 1 322.321 0.288 20 5 DCBDMM O=C(c1ccc([N+](=O)[O-])cc1F)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370863586 262154535 /nfs/dbraw/zinc/15/45/35/262154535.db2.gz WVTOFCRIXIQOJV-SNVBAGLBSA-N -1 1 322.256 0.461 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-]C[C@H](C)CCOC)c([N+](=O)[O-])n1 ZINC000416580204 262232902 /nfs/dbraw/zinc/23/29/02/262232902.db2.gz IWCLNPOWROETDD-SECBINFHSA-N -1 1 320.371 0.762 20 5 DCBDMM C[C@H](C[S@@](C)=O)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000542239943 287936607 /nfs/dbraw/zinc/93/66/07/287936607.db2.gz KGKYXFLYPLAQSN-LWESTGQBSA-N -1 1 307.353 0.035 20 5 DCBDMM CCO[C@@H]1COCC[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445155128 279789433 /nfs/dbraw/zinc/78/94/33/279789433.db2.gz BGLHXHZRSLVKIZ-GXSJLCMTSA-N -1 1 311.294 0.619 20 5 DCBDMM Cn1cnnc1CCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000552179079 288268102 /nfs/dbraw/zinc/26/81/02/288268102.db2.gz CPJLVNFEIGVDBN-UHFFFAOYSA-N -1 1 306.282 0.187 20 5 DCBDMM CN1CCN(C)[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000269271887 290035693 /nfs/dbraw/zinc/03/56/93/290035693.db2.gz NPQVHFUYMROAEX-SNVBAGLBSA-N -1 1 308.338 0.276 20 5 DCBDMM C[C@H](CC[S@@](C)=O)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000267062506 524226875 /nfs/dbraw/zinc/22/68/75/524226875.db2.gz ACNSGCXOPNCMQU-JLPJYYFKSA-N -1 1 301.324 0.582 20 5 DCBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1C=C[C@H](CO)C1 ZINC000124590967 527321295 /nfs/dbraw/zinc/32/12/95/527321295.db2.gz PHKHXXZOFCYXPZ-DTWKUNHWSA-N -1 1 316.310 0.949 20 5 DCBDMM Nc1ccnc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])n1 ZINC000822907188 607304837 /nfs/dbraw/zinc/30/48/37/607304837.db2.gz AMKZHZMAVDIKHI-UHFFFAOYSA-N -1 1 314.269 0.154 20 5 DCBDMM Nc1ccnc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1 ZINC000822907188 607304838 /nfs/dbraw/zinc/30/48/38/607304838.db2.gz AMKZHZMAVDIKHI-UHFFFAOYSA-N -1 1 314.269 0.154 20 5 DCBDMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000737776315 598568401 /nfs/dbraw/zinc/56/84/01/598568401.db2.gz KZBDZUROMKMQKZ-UHFFFAOYSA-N -1 1 318.228 0.381 20 5 DCBDMM CCc1[nH]nc(C(=O)N2CCN(C(=O)[O-])[C@@H](C)C2)c1[N+](=O)[O-] ZINC000827551453 603877492 /nfs/dbraw/zinc/87/74/92/603877492.db2.gz PMWKETJVUBFRLZ-ZETCQYMHSA-N -1 1 311.298 0.705 20 5 DCBDMM CCNc1ccc(C(=O)OCc2nc(=O)n(C)[n-]2)cc1[N+](=O)[O-] ZINC000765389423 668487100 /nfs/dbraw/zinc/48/71/00/668487100.db2.gz LLJWWZNCNCQJNA-UHFFFAOYSA-N -1 1 321.293 0.805 20 5 DCBDMM COC(=O)C(=O)CCCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000803398254 670246137 /nfs/dbraw/zinc/24/61/37/670246137.db2.gz QSRCDMBXAAHUMV-UHFFFAOYSA-N -1 1 311.246 0.980 20 5 DCBDMM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000830370211 671625886 /nfs/dbraw/zinc/62/58/86/671625886.db2.gz UYUNHHMLIRSETD-UHFFFAOYSA-N -1 1 310.241 0.821 20 5 DCBDMM CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842280785 672003191 /nfs/dbraw/zinc/00/31/91/672003191.db2.gz ROZVAVXZOADXCJ-GHMZBOCLSA-N -1 1 313.335 0.145 20 5 DCBDMM C[C@@H]1C(=O)N(C)CCN1c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590163452 1166792667 /nfs/dbraw/zinc/79/26/67/1166792667.db2.gz JBRXNGLFSGBOAA-MRVPVSSYSA-N -1 1 317.309 0.442 20 5 DCBDMM C[C@@H]1C(=O)N(C)CCN1c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590163452 1166792673 /nfs/dbraw/zinc/79/26/73/1166792673.db2.gz JBRXNGLFSGBOAA-MRVPVSSYSA-N -1 1 317.309 0.442 20 5 DCBDMM CN(Cc1cn(C)nn1)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001591150513 1167117193 /nfs/dbraw/zinc/11/71/93/1167117193.db2.gz APYCVHSJHVEAEJ-UHFFFAOYSA-N -1 1 321.326 0.601 20 5 DCBDMM CN(Cc1cn(C)nn1)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001591150513 1167117198 /nfs/dbraw/zinc/11/71/98/1167117198.db2.gz APYCVHSJHVEAEJ-UHFFFAOYSA-N -1 1 321.326 0.601 20 5 DCBDMM COC(=O)COCCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591267359 1167189396 /nfs/dbraw/zinc/18/93/96/1167189396.db2.gz HHTQFIDXXSHQGJ-UHFFFAOYSA-N -1 1 322.281 0.376 20 5 DCBDMM COC(=O)COCCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591267359 1167189404 /nfs/dbraw/zinc/18/94/04/1167189404.db2.gz HHTQFIDXXSHQGJ-UHFFFAOYSA-N -1 1 322.281 0.376 20 5 DCBDMM COC[C@@H]1C[C@@H](O)CN1c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591452630 1167292270 /nfs/dbraw/zinc/29/22/70/1167292270.db2.gz HYQXGUMESNTQIN-VHSXEESVSA-N -1 1 320.309 0.361 20 5 DCBDMM COC[C@@H]1C[C@@H](O)CN1c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591452630 1167292276 /nfs/dbraw/zinc/29/22/76/1167292276.db2.gz HYQXGUMESNTQIN-VHSXEESVSA-N -1 1 320.309 0.361 20 5 DCBDMM Cc1cc(N2CCNC(=O)[C@H]2C)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592007328 1167432178 /nfs/dbraw/zinc/43/21/78/1167432178.db2.gz NSEHFLSEQMUTRL-MRVPVSSYSA-N -1 1 317.309 0.408 20 5 DCBDMM Cc1cc(N2CCNC(=O)[C@H]2C)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592007328 1167432183 /nfs/dbraw/zinc/43/21/83/1167432183.db2.gz NSEHFLSEQMUTRL-MRVPVSSYSA-N -1 1 317.309 0.408 20 5 DCBDMM Cc1cccc([N+](=O)[O-])c1NCCn1cnc(-c2nn[n-]n2)n1 ZINC001592244290 1167478458 /nfs/dbraw/zinc/47/84/58/1167478458.db2.gz WNCPOEQJADZHHO-UHFFFAOYSA-N -1 1 315.297 0.787 20 5 DCBDMM Cn1cc(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)nn1 ZINC001592573212 1167565887 /nfs/dbraw/zinc/56/58/87/1167565887.db2.gz XVOZPQALGZDSIN-UHFFFAOYSA-N -1 1 301.270 0.516 20 5 DCBDMM Cn1cc(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)nn1 ZINC001592573212 1167565889 /nfs/dbraw/zinc/56/58/89/1167565889.db2.gz XVOZPQALGZDSIN-UHFFFAOYSA-N -1 1 301.270 0.516 20 5 DCBDMM O=C1O[C@@H](Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)CC12CCC2 ZINC001593413657 1167827843 /nfs/dbraw/zinc/82/78/43/1167827843.db2.gz XDJBHEGOYMFYAB-SSDOTTSWSA-N -1 1 319.281 0.457 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCOCC(F)F ZINC001593465693 1167854107 /nfs/dbraw/zinc/85/41/07/1167854107.db2.gz WHFWBLBYWPCCCN-UHFFFAOYSA-N -1 1 315.240 0.864 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCOCC(F)F ZINC001593465693 1167854116 /nfs/dbraw/zinc/85/41/16/1167854116.db2.gz WHFWBLBYWPCCCN-UHFFFAOYSA-N -1 1 315.240 0.864 20 5 DCBDMM O=[N+]([O-])c1c(N[C@H]2CC[C@@H](O)[C@@H](O)C2)cccc1-c1nnn[n-]1 ZINC001593465016 1167855426 /nfs/dbraw/zinc/85/54/26/1167855426.db2.gz FNTAQQANHGDDCB-XROYCOCOSA-N -1 1 320.309 0.461 20 5 DCBDMM O=[N+]([O-])c1c(N[C@H]2CC[C@@H](O)[C@@H](O)C2)cccc1-c1nn[n-]n1 ZINC001593465016 1167855435 /nfs/dbraw/zinc/85/54/35/1167855435.db2.gz FNTAQQANHGDDCB-XROYCOCOSA-N -1 1 320.309 0.461 20 5 DCBDMM O=[N+]([O-])c1ccc2[nH]c(Cn3cnc(-c4nn[n-]n4)n3)nc2c1 ZINC001593479668 1167865990 /nfs/dbraw/zinc/86/59/90/1167865990.db2.gz PRKUIYFTJZFZEL-UHFFFAOYSA-N -1 1 312.253 0.291 20 5 DCBDMM Cc1cccc(C(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC001600510489 1168193382 /nfs/dbraw/zinc/19/33/82/1168193382.db2.gz LSARHRFVJRZDSO-NSHDSACASA-N -1 1 321.333 0.992 20 5 DCBDMM O=C([O-])C1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])CCS2 ZINC001601784054 1168893180 /nfs/dbraw/zinc/89/31/80/1168893180.db2.gz HQGJQTCCXWJCEY-QBMMMEGOSA-N -1 1 314.363 0.897 20 5 DCBDMM CNC(=O)[C@@H](C)CN(C)c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001604872765 1169722113 /nfs/dbraw/zinc/72/21/13/1169722113.db2.gz VNYQFEHMNAYKDR-QMMMGPOBSA-N -1 1 319.325 0.593 20 5 DCBDMM CNC(=O)[C@@H](C)CN(C)c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001604872765 1169722117 /nfs/dbraw/zinc/72/21/17/1169722117.db2.gz VNYQFEHMNAYKDR-QMMMGPOBSA-N -1 1 319.325 0.593 20 5 DCBDMM COC(=O)c1ccc(Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)o1 ZINC001604972038 1169767571 /nfs/dbraw/zinc/76/75/71/1169767571.db2.gz HAHIUNVFLDCRDA-UHFFFAOYSA-N -1 1 319.237 0.399 20 5 DCBDMM COC[C@@H](CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)OC ZINC001605056005 1169798428 /nfs/dbraw/zinc/79/84/28/1169798428.db2.gz NJXZTTZEBWPJQP-SECBINFHSA-N -1 1 308.298 0.848 20 5 DCBDMM COC[C@@H](CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)OC ZINC001605056005 1169798433 /nfs/dbraw/zinc/79/84/33/1169798433.db2.gz NJXZTTZEBWPJQP-SECBINFHSA-N -1 1 308.298 0.848 20 5 DCBDMM Cn1nnnc1Sc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001606287494 1170149640 /nfs/dbraw/zinc/14/96/40/1170149640.db2.gz DIEQNGHQVCLCJF-UHFFFAOYSA-N -1 1 305.283 0.450 20 5 DCBDMM Cn1nnnc1Sc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001606287494 1170149642 /nfs/dbraw/zinc/14/96/42/1170149642.db2.gz DIEQNGHQVCLCJF-UHFFFAOYSA-N -1 1 305.283 0.450 20 5 DCBDMM COC(=O)[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC001606428374 1170196941 /nfs/dbraw/zinc/19/69/41/1170196941.db2.gz CSUDOVCYQNCQGJ-QWRGUYRKSA-N -1 1 308.290 0.900 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@@H]2COC[C@@H]2C1 ZINC001607076763 1170382792 /nfs/dbraw/zinc/38/27/92/1170382792.db2.gz DRZZMMXBIMLNMF-BDAKNGLRSA-N -1 1 317.309 0.643 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@@H]2COC[C@@H]2C1 ZINC001607076763 1170382785 /nfs/dbraw/zinc/38/27/85/1170382785.db2.gz DRZZMMXBIMLNMF-BDAKNGLRSA-N -1 1 317.309 0.643 20 5 DCBDMM O=[N+]([O-])c1ccc(Oc2nnccc2-c2nnn[n-]2)cc1CO ZINC001607083310 1170384260 /nfs/dbraw/zinc/38/42/60/1170384260.db2.gz BDCSCSJGISZHLX-UHFFFAOYSA-N -1 1 315.249 0.850 20 5 DCBDMM O=[N+]([O-])c1ccc(Oc2nnccc2-c2nn[n-]n2)cc1CO ZINC001607083310 1170384267 /nfs/dbraw/zinc/38/42/67/1170384267.db2.gz BDCSCSJGISZHLX-UHFFFAOYSA-N -1 1 315.249 0.850 20 5 DCBDMM O=C([O-])c1cn([C@@H]2CCN(CCn3cc([N+](=O)[O-])cn3)C2)nn1 ZINC001608961572 1170776023 /nfs/dbraw/zinc/77/60/23/1170776023.db2.gz QKMSYPCLAVGLSF-SECBINFHSA-N -1 1 321.297 0.028 20 5 DCBDMM C[C@H](C[S@@](C)=O)Nc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609115306 1170813179 /nfs/dbraw/zinc/81/31/79/1170813179.db2.gz SQBOTXUMLLFZDY-WODJRTHDSA-N -1 1 310.339 0.954 20 5 DCBDMM C[C@H](C[S@@](C)=O)Nc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609115306 1170813185 /nfs/dbraw/zinc/81/31/85/1170813185.db2.gz SQBOTXUMLLFZDY-WODJRTHDSA-N -1 1 310.339 0.954 20 5 DCBDMM C[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC[C@@H]1O ZINC001609174679 1170846003 /nfs/dbraw/zinc/84/60/03/1170846003.db2.gz BZWDRPPGSMYWOR-CPCISQLKSA-N -1 1 319.325 0.564 20 5 DCBDMM C[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC[C@@H]1O ZINC001609174679 1170846014 /nfs/dbraw/zinc/84/60/14/1170846014.db2.gz BZWDRPPGSMYWOR-CPCISQLKSA-N -1 1 319.325 0.564 20 5 DCBDMM CC[C@@H]1CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@H]1O ZINC001609202798 1170867925 /nfs/dbraw/zinc/86/79/25/1170867925.db2.gz PPUFOMJOHPBXBZ-KCJUWKMLSA-N -1 1 304.310 0.982 20 5 DCBDMM CC[C@@H]1CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@H]1O ZINC001609202798 1170867932 /nfs/dbraw/zinc/86/79/32/1170867932.db2.gz PPUFOMJOHPBXBZ-KCJUWKMLSA-N -1 1 304.310 0.982 20 5 DCBDMM CN(C[C@H](O)C1CC1)c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609272878 1170905986 /nfs/dbraw/zinc/90/59/86/1170905986.db2.gz FNRRLNKYALSLMJ-NSHDSACASA-N -1 1 304.310 0.982 20 5 DCBDMM CN(C[C@H](O)C1CC1)c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609272878 1170905988 /nfs/dbraw/zinc/90/59/88/1170905988.db2.gz FNRRLNKYALSLMJ-NSHDSACASA-N -1 1 304.310 0.982 20 5 DCBDMM COC(=O)[C@H]1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001609296360 1170918983 /nfs/dbraw/zinc/91/89/83/1170918983.db2.gz HDNKNVMVHSSPLC-QMMMGPOBSA-N -1 1 318.293 0.774 20 5 DCBDMM COCCOCCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609328039 1170939324 /nfs/dbraw/zinc/93/93/24/1170939324.db2.gz WNLWTIRNSXEEGF-UHFFFAOYSA-N -1 1 308.298 0.850 20 5 DCBDMM COCCOCCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609328039 1170939327 /nfs/dbraw/zinc/93/93/27/1170939327.db2.gz WNLWTIRNSXEEGF-UHFFFAOYSA-N -1 1 308.298 0.850 20 5 DCBDMM C[C@@H](O)CN1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001609790959 1171086235 /nfs/dbraw/zinc/08/62/35/1171086235.db2.gz LJWAFMWZISLBGB-LLVKDONJSA-N -1 1 323.349 0.791 20 5 DCBDMM Cc1ncc([N+](=O)[O-])n1CC(=O)N(Cc1nn[n-]n1)CC(C)C ZINC001633524613 1171644600 /nfs/dbraw/zinc/64/46/00/1171644600.db2.gz VUFONOVUCSSMCM-UHFFFAOYSA-N -1 1 322.329 0.298 20 5 DCBDMM O=C(Cc1cccc([N+](=O)[O-])c1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001635090052 1171693135 /nfs/dbraw/zinc/69/31/35/1171693135.db2.gz GIKBFHOQONJHNN-LLVKDONJSA-N -1 1 318.293 0.251 20 5 DCBDMM C[C@@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@H](C(N)=O)C1 ZINC001639132334 1171823748 /nfs/dbraw/zinc/82/37/48/1171823748.db2.gz RITDDUBBBOPFFZ-APPZFPTMSA-N -1 1 308.294 0.421 20 5 DCBDMM COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C2 ZINC001642884178 1171960166 /nfs/dbraw/zinc/96/01/66/1171960166.db2.gz ZIUIIJFTWNRDBV-ITMYJUKJSA-N -1 1 321.289 0.767 20 5 DCBDMM COC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1nn[n-]n1 ZINC001651843674 1173753339 /nfs/dbraw/zinc/75/33/39/1173753339.db2.gz ITSJGVMXTOTUTR-JTQLQIEISA-N -1 1 306.282 0.154 20 5 DCBDMM C[C@H]1CN2CCN1C[C@H]2C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC001123678809 768043337 /nfs/dbraw/zinc/04/33/37/768043337.db2.gz XGXXSZYSUDURSL-CABZTGNLSA-N -1 1 306.322 0.627 20 5 DCBDMM Cc1nnc([C@@H]2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)[nH]1 ZINC001142369583 768642032 /nfs/dbraw/zinc/64/20/32/768642032.db2.gz PUBGWAHJUNNOCX-MRVPVSSYSA-N -1 1 318.293 0.752 20 5 DCBDMM Cc1nc(C(N)=O)c(O[C@@H](C[N+](=O)[O-])c2cccnc2)c(=O)[n-]1 ZINC001234470765 769664576 /nfs/dbraw/zinc/66/45/76/769664576.db2.gz XFNPMGJHRNOHFZ-VIFPVBQESA-N -1 1 319.277 0.381 20 5 DCBDMM Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001153001663 769692039 /nfs/dbraw/zinc/69/20/39/769692039.db2.gz MFQPTUJLFCHADP-SECBINFHSA-N -1 1 320.313 0.019 20 5 DCBDMM COc1nc(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)ccc1[N+](=O)[O-] ZINC001159186036 771872813 /nfs/dbraw/zinc/87/28/13/771872813.db2.gz PCFJIMLEYZTBIC-UHFFFAOYSA-N -1 1 319.237 0.771 20 5 DCBDMM Cc1cc(C)c([N+](=O)[O-])c(Nc2c(O)[nH]c(=O)[n-]c2=S)n1 ZINC001160848950 772123028 /nfs/dbraw/zinc/12/30/28/772123028.db2.gz MEQQNDIUUXGRBR-ZCFIWIBFSA-N -1 1 309.307 0.554 20 5 DCBDMM O=[N+]([O-])c1ccc(N2CC[C@H](OCC[P@@](=O)([O-])O)C2)nc1 ZINC001224603244 775586951 /nfs/dbraw/zinc/58/69/51/775586951.db2.gz WPFOHHGZFHJBPN-JTQLQIEISA-N -1 1 317.238 0.763 20 5 DCBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H](C)CON ZINC001226311596 775798763 /nfs/dbraw/zinc/79/87/63/775798763.db2.gz YPHVJHZMMOIOAF-LURJTMIESA-N -1 1 301.255 0.530 20 5 DCBDMM O=c1nc2c(c(O[C@@H]3COc4nc([N+](=O)[O-])cn4C3)[n-]1)COC2 ZINC001227686000 775996672 /nfs/dbraw/zinc/99/66/72/775996672.db2.gz CSVWAGNOHKRTLI-LURJTMIESA-N -1 1 321.249 0.157 20 5 DCBDMM CCC(CC)(NC(=O)c1cc([N+](=O)[O-])cn1C)c1nn[n-]n1 ZINC001449014793 1014136175 /nfs/dbraw/zinc/13/61/75/1014136175.db2.gz MMDAQRGYULGRSL-UHFFFAOYSA-N -1 1 307.314 0.892 20 5 DCBDMM CO[C@@H]1CCC[C@@H]([C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C(=O)[O-])C1 ZINC001599109327 997538552 /nfs/dbraw/zinc/53/85/52/997538552.db2.gz QZLJUOSJGKCUIE-ILAIQSSSSA-N -1 1 300.311 0.426 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CC[C@H](OC)C2)c([N+](=O)[O-])n1 ZINC000330980286 232266908 /nfs/dbraw/zinc/26/69/08/232266908.db2.gz GQHRQVGGWRXQSK-IUCAKERBSA-N -1 1 318.355 0.657 20 5 DCBDMM CC1N=NC(=S)N1CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000275067619 212102309 /nfs/dbraw/zinc/10/23/09/212102309.db2.gz ALSBOLZAVCOMIW-UHFFFAOYSA-N -1 1 324.322 0.314 20 5 DCBDMM C[C@@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000274984380 212058304 /nfs/dbraw/zinc/05/83/04/212058304.db2.gz YFEFXRUJIBRZNE-LURJTMIESA-N -1 1 306.271 0.733 20 5 DCBDMM CC[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000274964399 212046576 /nfs/dbraw/zinc/04/65/76/212046576.db2.gz VLIXVOSXSCNXJD-ZETCQYMHSA-N -1 1 306.271 0.875 20 5 DCBDMM CCS(=O)(=O)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000265060557 204371496 /nfs/dbraw/zinc/37/14/96/204371496.db2.gz LPQBLGUJCRFOLG-ZETCQYMHSA-N -1 1 317.323 0.248 20 5 DCBDMM O=C(N[C@H](CO)CN1CCCCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000288594709 220272000 /nfs/dbraw/zinc/27/20/00/220272000.db2.gz SQULLVXPPXKDLW-NSHDSACASA-N -1 1 323.349 0.877 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-][C@H](COC)C2CC2)c([N+](=O)[O-])n1 ZINC000339041426 253024313 /nfs/dbraw/zinc/02/43/13/253024313.db2.gz IXBJZIAVNKHCRC-SECBINFHSA-N -1 1 318.355 0.515 20 5 DCBDMM O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000339436371 253083987 /nfs/dbraw/zinc/08/39/87/253083987.db2.gz FVSOGPFCHPZZMR-ZCFIWIBFSA-N -1 1 308.254 0.426 20 5 DCBDMM O=C(NCCSCCCO)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000225833107 395863790 /nfs/dbraw/zinc/86/37/90/395863790.db2.gz NPJOABDVZIRHIS-UHFFFAOYSA-N -1 1 301.324 0.541 20 5 DCBDMM CCC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)c1nn[n-]n1 ZINC000276578796 396011747 /nfs/dbraw/zinc/01/17/47/396011747.db2.gz UWMMBJOUDBTONR-JTQLQIEISA-N -1 1 305.298 0.961 20 5 DCBDMM CO[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(C)C ZINC000074972395 396174087 /nfs/dbraw/zinc/17/40/87/396174087.db2.gz ZTRNDVUQCCXRQL-VIFPVBQESA-N -1 1 303.340 0.939 20 5 DCBDMM COCC[C@H]1COCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000291119717 396479198 /nfs/dbraw/zinc/47/91/98/396479198.db2.gz CVTRHRHHRCXDQQ-JTQLQIEISA-N -1 1 311.294 0.573 20 5 DCBDMM CCCc1[nH]nc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000610891726 396777726 /nfs/dbraw/zinc/77/77/26/396777726.db2.gz OSTSSEOQLQPHOC-QMMMGPOBSA-N -1 1 312.282 0.196 20 5 DCBDMM Cc1cc(NCc2nn[n-]n2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611132454 396821403 /nfs/dbraw/zinc/82/14/03/396821403.db2.gz HONKXOAMABIGFF-UHFFFAOYSA-N -1 1 312.293 0.907 20 5 DCBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(N)=O ZINC000119521194 158189659 /nfs/dbraw/zinc/18/96/59/158189659.db2.gz ZAKPKIAVUJOKNM-RXMQYKEDSA-N -1 1 307.715 0.400 20 5 DCBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000332226839 415303996 /nfs/dbraw/zinc/30/39/96/415303996.db2.gz KWJAJQPLGBLUOV-NGZCFLSTSA-N -1 1 307.306 0.928 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-][C@@]2(C)CCO[C@H]2C)c([N+](=O)[O-])n1 ZINC000343975619 415808122 /nfs/dbraw/zinc/80/81/22/415808122.db2.gz ITVIRLJVLPWHLK-KWQFWETISA-N -1 1 318.355 0.657 20 5 DCBDMM C[C@@H]1[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCS1(=O)=O ZINC000356639590 415965934 /nfs/dbraw/zinc/96/59/34/415965934.db2.gz BGVIQIVEPYXVAA-SVRRBLITSA-N -1 1 315.307 0.001 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H]2CC[C@H](C)O2)c([N+](=O)[O-])n1 ZINC000416530545 416374031 /nfs/dbraw/zinc/37/40/31/416374031.db2.gz GIKSIMZMMXZHIR-IUCAKERBSA-N -1 1 318.355 0.657 20 5 DCBDMM Cn1nc([N+](=O)[O-])cc1C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000360744323 416407476 /nfs/dbraw/zinc/40/74/76/416407476.db2.gz IRQPWUYMUSYBAL-UHFFFAOYSA-N -1 1 306.286 0.041 20 5 DCBDMM COC(=O)[C@@H](C)C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000532705058 416450634 /nfs/dbraw/zinc/45/06/34/416450634.db2.gz VSGVDIOWELIXNX-ZETCQYMHSA-N -1 1 303.296 0.077 20 5 DCBDMM Cc1[nH]nc(C(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)c1[N+](=O)[O-] ZINC000539930760 416586254 /nfs/dbraw/zinc/58/62/54/416586254.db2.gz AQFPCRSQJIXYBB-UHFFFAOYSA-N -1 1 321.297 0.470 20 5 DCBDMM O=C(NC[C@H]1CC(=O)N(C2CC2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445158028 416886719 /nfs/dbraw/zinc/88/67/19/416886719.db2.gz LCTRSYJOSRKFAT-MRVPVSSYSA-N -1 1 320.305 0.436 20 5 DCBDMM CC[C@H]1C(=O)N(CC)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445214173 416889764 /nfs/dbraw/zinc/88/97/64/416889764.db2.gz LZCYVAXAZYNAJA-JTQLQIEISA-N -1 1 322.321 0.778 20 5 DCBDMM NC(=O)c1coc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000445214126 416889829 /nfs/dbraw/zinc/88/98/29/416889829.db2.gz PHJIXJWENXASDF-UHFFFAOYSA-N -1 1 306.234 0.317 20 5 DCBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)[C@H]2CCCO2)s1 ZINC000447941251 417048441 /nfs/dbraw/zinc/04/84/41/417048441.db2.gz KEWKDMBGWHLNHE-HTQZYQBOSA-N -1 1 322.364 0.475 20 5 DCBDMM COCCOCCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525127213 417124002 /nfs/dbraw/zinc/12/40/02/417124002.db2.gz YBVGZCYRNJJJKN-UHFFFAOYSA-N -1 1 319.339 0.321 20 5 DCBDMM Nc1nccc(C(=O)[N-]c2nc3n(n2)CCCC3)c1[N+](=O)[O-] ZINC000571939985 417454529 /nfs/dbraw/zinc/45/45/29/417454529.db2.gz SIAMECZNUYUFGY-UHFFFAOYSA-N -1 1 303.282 0.752 20 5 DCBDMM O=C(NCC1(CO)CCOCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000440297126 287397905 /nfs/dbraw/zinc/39/79/05/287397905.db2.gz XJUPIYWAZQOBNA-UHFFFAOYSA-N -1 1 311.294 0.214 20 5 DCBDMM COC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@@H](C)O1 ZINC000440244808 287395481 /nfs/dbraw/zinc/39/54/81/287395481.db2.gz PGOIKTMHODKMIL-PSASIEDQSA-N -1 1 311.294 0.571 20 5 DCBDMM COCC[C@H](C)C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000576848516 417642840 /nfs/dbraw/zinc/64/28/40/417642840.db2.gz ZZBQPCOXVHLBOS-VIFPVBQESA-N -1 1 303.340 0.941 20 5 DCBDMM C[C@H](CCS(C)(=O)=O)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000355739429 261361862 /nfs/dbraw/zinc/36/18/62/261361862.db2.gz FVQFVOIZTHYILN-SSDOTTSWSA-N -1 1 317.323 0.248 20 5 DCBDMM O=C(NCCC1(O)CCOCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000359538498 271125496 /nfs/dbraw/zinc/12/54/96/271125496.db2.gz SZPHOKGJXODBHS-UHFFFAOYSA-N -1 1 311.294 0.357 20 5 DCBDMM COCC1([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCC1 ZINC000556403878 288376224 /nfs/dbraw/zinc/37/62/24/288376224.db2.gz GOUGRLDCARPPSN-UHFFFAOYSA-N -1 1 301.324 0.837 20 5 DCBDMM COC[C@H](CO)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000234816606 293112620 /nfs/dbraw/zinc/11/26/20/293112620.db2.gz IAUWGSFBFHCLDF-ZETCQYMHSA-N -1 1 308.287 0.020 20 5 DCBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C(=O)NC(C)(C)C ZINC000299279323 533749917 /nfs/dbraw/zinc/74/99/17/533749917.db2.gz QMAUIWICOYQOLO-ZETCQYMHSA-N -1 1 310.310 0.728 20 5 DCBDMM CCC[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1nn[n-]n1 ZINC000267576646 520753384 /nfs/dbraw/zinc/75/33/84/520753384.db2.gz JURCJICMKDFNPU-SECBINFHSA-N -1 1 305.298 0.961 20 5 DCBDMM CCCN1C[C@@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1=O ZINC000421907843 534976090 /nfs/dbraw/zinc/97/60/90/534976090.db2.gz CEULQORXIVDAAW-SECBINFHSA-N -1 1 322.321 0.684 20 5 DCBDMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000827378869 601089917 /nfs/dbraw/zinc/08/99/17/601089917.db2.gz BFIZDMSQXSHBGQ-JTQLQIEISA-N -1 1 324.337 0.554 20 5 DCBDMM C[C@H]1COCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000825005847 607822658 /nfs/dbraw/zinc/82/26/58/607822658.db2.gz DNQLKDBPZYDXHG-MRVPVSSYSA-N -1 1 305.298 0.643 20 5 DCBDMM C[C@H]1COCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000825005847 607822659 /nfs/dbraw/zinc/82/26/59/607822659.db2.gz DNQLKDBPZYDXHG-MRVPVSSYSA-N -1 1 305.298 0.643 20 5 DCBDMM CC[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@H]1O ZINC000825219859 608018092 /nfs/dbraw/zinc/01/80/92/608018092.db2.gz NGZICOBOYZOXMD-APPZFPTMSA-N -1 1 305.298 0.377 20 5 DCBDMM CC[C@@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@H]1O ZINC000825219859 608018093 /nfs/dbraw/zinc/01/80/93/608018093.db2.gz NGZICOBOYZOXMD-APPZFPTMSA-N -1 1 305.298 0.377 20 5 DCBDMM O=[N+]([O-])c1ccc(-n2cnc(-c3nn[n-]n3)n2)cc1OC(F)F ZINC000826497975 608173670 /nfs/dbraw/zinc/17/36/70/608173670.db2.gz BHAZTAZWTWLSML-UHFFFAOYSA-N -1 1 324.207 0.957 20 5 DCBDMM CNC(=O)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000725817397 657866992 /nfs/dbraw/zinc/86/69/92/657866992.db2.gz CMMPVZDRIXKUKG-UHFFFAOYSA-N -1 1 307.715 0.273 20 5 DCBDMM Cn1cc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cn1 ZINC000053699490 659504326 /nfs/dbraw/zinc/50/43/26/659504326.db2.gz YAPYSHBWHXNFHL-UHFFFAOYSA-N -1 1 314.298 0.946 20 5 DCBDMM O=C(CCn1cc[n-]c(=O)c1=O)NCc1cccc([N+](=O)[O-])c1 ZINC000727853084 662255233 /nfs/dbraw/zinc/25/52/33/662255233.db2.gz NIVGKWHCOWDKIL-UHFFFAOYSA-N -1 1 318.289 0.151 20 5 DCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H](CCO)C1CC1 ZINC000751442960 662414956 /nfs/dbraw/zinc/41/49/56/662414956.db2.gz OIDGVRZVPWDDAT-SECBINFHSA-N -1 1 301.324 0.429 20 5 DCBDMM CN1CC[C@@H]1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000712343594 667702502 /nfs/dbraw/zinc/70/25/02/667702502.db2.gz QSONRRMPTNVSDU-MRVPVSSYSA-N -1 1 303.315 0.716 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-][C@@H](CCO)C2CC2)c([N+](=O)[O-])n1 ZINC000754806832 668051362 /nfs/dbraw/zinc/05/13/62/668051362.db2.gz WRBFXDVCMWZCMD-VIFPVBQESA-N -1 1 318.355 0.251 20 5 DCBDMM COc1cc([N+](=O)[O-])ccc1C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000755680446 668063816 /nfs/dbraw/zinc/06/38/16/668063816.db2.gz SKVWUCVKCUYIRI-UHFFFAOYSA-N -1 1 308.250 0.382 20 5 DCBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)N1CCNC1=O ZINC000769049683 668631316 /nfs/dbraw/zinc/63/13/16/668631316.db2.gz QYUFMDNAKUZTCL-ZETCQYMHSA-N -1 1 323.261 0.398 20 5 DCBDMM Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1cn[n-]n1 ZINC000805605205 668897993 /nfs/dbraw/zinc/89/79/93/668897993.db2.gz GOVDQHJHIYRMJP-UHFFFAOYSA-N -1 1 305.250 0.817 20 5 DCBDMM Cn1[n-]cc2c(=NC(=O)CCn3cc([N+](=O)[O-])cn3)ccnc1-2 ZINC000791163948 669596005 /nfs/dbraw/zinc/59/60/05/669596005.db2.gz IDBSWVKKAXRRFB-UHFFFAOYSA-N -1 1 315.293 0.475 20 5 DCBDMM Nc1nnc(C[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000803125774 670236153 /nfs/dbraw/zinc/23/61/53/670236153.db2.gz OJUATGRKARAALX-UHFFFAOYSA-N -1 1 313.220 0.968 20 5 DCBDMM CNC(=O)[C@H](C)[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848590311 670699123 /nfs/dbraw/zinc/69/91/23/670699123.db2.gz LLCXSHMTLLUOKA-ZETCQYMHSA-N -1 1 317.248 0.817 20 5 DCBDMM CC1(C)C[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C(=O)O1 ZINC000824795751 671440309 /nfs/dbraw/zinc/44/03/09/671440309.db2.gz CKIUTPHHBPBVDG-ZETCQYMHSA-N -1 1 319.281 0.676 20 5 DCBDMM CC1(C)C[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C(=O)O1 ZINC000824795751 671440311 /nfs/dbraw/zinc/44/03/11/671440311.db2.gz CKIUTPHHBPBVDG-ZETCQYMHSA-N -1 1 319.281 0.676 20 5 DCBDMM O=[N+]([O-])c1cccc([C@@H](O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000826499283 671489618 /nfs/dbraw/zinc/48/96/18/671489618.db2.gz CNDSPHWBAKBFNE-VIFPVBQESA-N -1 1 302.254 0.100 20 5 DCBDMM C[C@@H](O)[C@@H]1CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC001589994577 1166741264 /nfs/dbraw/zinc/74/12/64/1166741264.db2.gz HOLULYBVPSQRSP-KCJUWKMLSA-N -1 1 320.309 0.361 20 5 DCBDMM C[C@@H](O)[C@@H]1CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC001589994577 1166741268 /nfs/dbraw/zinc/74/12/68/1166741268.db2.gz HOLULYBVPSQRSP-KCJUWKMLSA-N -1 1 320.309 0.361 20 5 DCBDMM CC1(C)[C@H](O)C[C@H]1Nc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590076561 1166767909 /nfs/dbraw/zinc/76/79/09/1166767909.db2.gz FIJLAGGDEBONPM-NXEZZACHSA-N -1 1 319.325 0.928 20 5 DCBDMM CC1(C)[C@H](O)C[C@H]1Nc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590076561 1166767919 /nfs/dbraw/zinc/76/79/19/1166767919.db2.gz FIJLAGGDEBONPM-NXEZZACHSA-N -1 1 319.325 0.928 20 5 DCBDMM CC1(CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])OCCO1 ZINC001590126527 1166781708 /nfs/dbraw/zinc/78/17/08/1166781708.db2.gz DZWNTOSHCJHLHY-UHFFFAOYSA-N -1 1 321.297 0.735 20 5 DCBDMM CC1(CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])OCCO1 ZINC001590126527 1166781710 /nfs/dbraw/zinc/78/17/10/1166781710.db2.gz DZWNTOSHCJHLHY-UHFFFAOYSA-N -1 1 321.297 0.735 20 5 DCBDMM C[C@@]1(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCC(=O)N1 ZINC001590134047 1166783941 /nfs/dbraw/zinc/78/39/41/1166783941.db2.gz LVNHQVBXFQHXDH-ZDUSSCGKSA-N -1 1 317.309 0.856 20 5 DCBDMM CCCN(CC(=O)NC)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590619832 1166951965 /nfs/dbraw/zinc/95/19/65/1166951965.db2.gz AOJDWWLSEXPMGB-UHFFFAOYSA-N -1 1 319.325 0.737 20 5 DCBDMM CCCN(CC(=O)NC)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590619832 1166951972 /nfs/dbraw/zinc/95/19/72/1166951972.db2.gz AOJDWWLSEXPMGB-UHFFFAOYSA-N -1 1 319.325 0.737 20 5 DCBDMM CCn1cc(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])nn1 ZINC001590952840 1167056618 /nfs/dbraw/zinc/05/66/18/1167056618.db2.gz ANJMIIWRVALBMV-UHFFFAOYSA-N -1 1 315.297 0.998 20 5 DCBDMM CCn1cc(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])nn1 ZINC001590952840 1167056621 /nfs/dbraw/zinc/05/66/21/1167056621.db2.gz ANJMIIWRVALBMV-UHFFFAOYSA-N -1 1 315.297 0.998 20 5 DCBDMM CCn1cc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)nn1 ZINC001590954024 1167059097 /nfs/dbraw/zinc/05/90/97/1167059097.db2.gz PZCASOGZYFEBCC-UHFFFAOYSA-N -1 1 315.297 0.998 20 5 DCBDMM CO[C@]1(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCOC1 ZINC001591342283 1167223031 /nfs/dbraw/zinc/22/30/31/1167223031.db2.gz DRKNEWYNNBNZJR-ZDUSSCGKSA-N -1 1 320.309 0.992 20 5 DCBDMM CO[C@]1(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCOC1 ZINC001591342283 1167223036 /nfs/dbraw/zinc/22/30/36/1167223036.db2.gz DRKNEWYNNBNZJR-ZDUSSCGKSA-N -1 1 320.309 0.992 20 5 DCBDMM CO[C@@H]1COC[C@H]1Nc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591472337 1167301402 /nfs/dbraw/zinc/30/14/02/1167301402.db2.gz MXKOJRFIJTXYJU-GHMZBOCLSA-N -1 1 320.309 0.909 20 5 DCBDMM CO[C@@H]1COC[C@H]1Nc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591472337 1167301406 /nfs/dbraw/zinc/30/14/06/1167301406.db2.gz MXKOJRFIJTXYJU-GHMZBOCLSA-N -1 1 320.309 0.909 20 5 DCBDMM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001592577601 1167567805 /nfs/dbraw/zinc/56/78/05/1167567805.db2.gz JKJFSLPIJLVEOP-UHFFFAOYSA-N -1 1 314.265 0.761 20 5 DCBDMM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001592577601 1167567812 /nfs/dbraw/zinc/56/78/12/1167567812.db2.gz JKJFSLPIJLVEOP-UHFFFAOYSA-N -1 1 314.265 0.761 20 5 DCBDMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1cc(F)ccc1[N+](=O)[O-] ZINC001593196975 1167734999 /nfs/dbraw/zinc/73/49/99/1167734999.db2.gz BYEGSQRSTHTWGG-UHFFFAOYSA-N -1 1 318.228 0.889 20 5 DCBDMM O=C1C[C@H](CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CN1 ZINC001593384804 1167795896 /nfs/dbraw/zinc/79/58/96/1167795896.db2.gz FVKNRSDQMLSLMU-ZETCQYMHSA-N -1 1 318.297 0.108 20 5 DCBDMM O=C1C[C@H](CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CN1 ZINC001593384804 1167795903 /nfs/dbraw/zinc/79/59/03/1167795903.db2.gz FVKNRSDQMLSLMU-ZETCQYMHSA-N -1 1 318.297 0.108 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H](O)C1CCC1 ZINC001593465955 1167851981 /nfs/dbraw/zinc/85/19/81/1167851981.db2.gz KJKKJCUADRIZTD-SECBINFHSA-N -1 1 305.298 0.743 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H](O)C1CCC1 ZINC001593465955 1167851986 /nfs/dbraw/zinc/85/19/86/1167851986.db2.gz KJKKJCUADRIZTD-SECBINFHSA-N -1 1 305.298 0.743 20 5 DCBDMM O=[N+]([O-])c1cc(NCCn2ccnn2)ccc1-c1nn[n-]n1 ZINC001593475271 1167861220 /nfs/dbraw/zinc/86/12/20/1167861220.db2.gz ZWCRAJDDWPAOCQ-UHFFFAOYSA-N -1 1 301.270 0.479 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCCCn1cncn1 ZINC001593488938 1167873715 /nfs/dbraw/zinc/87/37/15/1167873715.db2.gz PCFFUHPEGAQVLH-UHFFFAOYSA-N -1 1 321.326 0.930 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCCCn1cncn1 ZINC001593488938 1167873740 /nfs/dbraw/zinc/87/37/40/1167873740.db2.gz PCFFUHPEGAQVLH-UHFFFAOYSA-N -1 1 321.326 0.930 20 5 DCBDMM Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1 ZINC001600487948 1168192581 /nfs/dbraw/zinc/19/25/81/1168192581.db2.gz XJFVPDSUTZHVII-LLVKDONJSA-N -1 1 321.333 0.992 20 5 DCBDMM O=C([O-])c1ccc(OCC(=O)N2CCNCC2)cc1[N+](=O)[O-] ZINC001602389017 1169067840 /nfs/dbraw/zinc/06/78/40/1169067840.db2.gz YTPVPIJBCBFGKR-UHFFFAOYSA-N -1 1 309.278 0.104 20 5 DCBDMM O=C([O-])c1cnc(N2CCn3c(=O)[nH]nc3C2)c([N+](=O)[O-])c1 ZINC001602528191 1169107121 /nfs/dbraw/zinc/10/71/21/1169107121.db2.gz SHTMNJYFEXGMHZ-UHFFFAOYSA-N -1 1 306.238 0.005 20 5 DCBDMM CC1(C)CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC[C@@H]1O ZINC001603788030 1169392366 /nfs/dbraw/zinc/39/23/66/1169392366.db2.gz QNYJWOLAGRIABU-VIFPVBQESA-N -1 1 319.325 0.767 20 5 DCBDMM CC1(C)CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC[C@@H]1O ZINC001603788030 1169392370 /nfs/dbraw/zinc/39/23/70/1169392370.db2.gz QNYJWOLAGRIABU-VIFPVBQESA-N -1 1 319.325 0.767 20 5 DCBDMM C[C@@H](N[C@H]1CCO[C@H]1C(=O)[O-])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001604363565 1169569091 /nfs/dbraw/zinc/56/90/91/1169569091.db2.gz 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O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1C[C@@H]2COC[C@H](C1)O2 ZINC001607076883 1170382012 /nfs/dbraw/zinc/38/20/12/1170382012.db2.gz WYSNWHYUQHGNRF-DTORHVGOSA-N -1 1 318.293 0.379 20 5 DCBDMM Cn1ccc([C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C(=O)[O-])n1 ZINC001608125916 1170582690 /nfs/dbraw/zinc/58/26/90/1170582690.db2.gz ZFQVIBYNOJIFMY-LLVKDONJSA-N -1 1 320.261 0.590 20 5 DCBDMM CC[S@@](=O)CCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609247573 1170898496 /nfs/dbraw/zinc/89/84/96/1170898496.db2.gz JEZMKHOZPGHZBN-OAQYLSRUSA-N -1 1 310.339 0.955 20 5 DCBDMM CC[S@@](=O)CCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609247573 1170898508 /nfs/dbraw/zinc/89/85/08/1170898508.db2.gz JEZMKHOZPGHZBN-OAQYLSRUSA-N -1 1 310.339 0.955 20 5 DCBDMM O=C1CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CN1C1CC1 ZINC001609589126 1171031072 /nfs/dbraw/zinc/03/10/72/1171031072.db2.gz IOBZVDDZDZJZIA-UHFFFAOYSA-N -1 1 315.293 0.543 20 5 DCBDMM O=C(COC(=O)[C@@H]1CC1[N+](=O)[O-])NC1(C(=O)[O-])CCCCC1 ZINC001610669615 1171287551 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HYDYUNRQUYRQSI-UHFFFAOYSA-N -1 1 319.325 0.959 20 5 DCBDMM Cc1ccc(NC(=O)CCn2cc[n-]c(=O)c2=O)cc1[N+](=O)[O-] ZINC000726865140 661678802 /nfs/dbraw/zinc/67/88/02/661678802.db2.gz RYMNPXJFJWRJDE-UHFFFAOYSA-N -1 1 318.289 0.782 20 5 DCBDMM Cc1nc(S(=O)(=O)[N-]C(=O)[C@@H]2CC2[N+](=O)[O-])sc1C ZINC000842372334 664640347 /nfs/dbraw/zinc/64/03/47/664640347.db2.gz IKGJHXAYUJVXHA-RNFRBKRXSA-N -1 1 305.337 0.230 20 5 DCBDMM O=C(c1csc([N+](=O)[O-])c1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732090417 664902517 /nfs/dbraw/zinc/90/25/17/664902517.db2.gz WENVRRQVJZDADH-SSDOTTSWSA-N -1 1 310.295 0.383 20 5 DCBDMM C[C@H](CC(N)=O)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000742303931 667788835 /nfs/dbraw/zinc/78/88/35/667788835.db2.gz CDRUUFFUUCNYAD-ZCFIWIBFSA-N -1 1 321.742 0.790 20 5 DCBDMM CC(C)C[C@@H](O)C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000751277777 667999057 /nfs/dbraw/zinc/99/90/57/667999057.db2.gz ZDYPFXGNKUNNTP-SECBINFHSA-N -1 1 303.340 0.675 20 5 DCBDMM CCOc1ccc(C(=O)OCc2nc(=O)n(C)[n-]2)cc1[N+](=O)[O-] ZINC000765418097 668489630 /nfs/dbraw/zinc/48/96/30/668489630.db2.gz BFWKZNXXKAGOLS-UHFFFAOYSA-N -1 1 322.277 0.772 20 5 DCBDMM Cc1c(CC(=O)OCc2nc(=O)n(C)[n-]2)cccc1[N+](=O)[O-] ZINC000765500047 668497152 /nfs/dbraw/zinc/49/71/52/668497152.db2.gz ARYNAZJJDTULND-UHFFFAOYSA-N -1 1 306.278 0.611 20 5 DCBDMM O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cn[n-]n1 ZINC000805606443 668898721 /nfs/dbraw/zinc/89/87/21/668898721.db2.gz XFEOSPDBCWBGKD-UHFFFAOYSA-N -1 1 306.234 0.936 20 5 DCBDMM Cc1cc([N+](=O)[O-])cc(C(=O)OCc2nc(=O)n(C)[n-]2)c1F ZINC000803460282 670249345 /nfs/dbraw/zinc/24/93/45/670249345.db2.gz GHBSZSSPXZAKLI-UHFFFAOYSA-N -1 1 310.241 0.821 20 5 DCBDMM C[C@@]1(O)C[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000841574055 671944472 /nfs/dbraw/zinc/94/44/72/671944472.db2.gz SAZJIVUAMXGPNF-DGFRNANFSA-N -1 1 304.299 0.926 20 5 DCBDMM COc1cccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000842333206 672006345 /nfs/dbraw/zinc/00/63/45/672006345.db2.gz CGMXDNWVLPAHMA-GHMZBOCLSA-N -1 1 314.319 0.306 20 5 DCBDMM CCON(C)C(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000846004208 672288364 /nfs/dbraw/zinc/28/83/64/672288364.db2.gz JAPVFMQRFYBHMT-UHFFFAOYSA-N -1 1 323.352 0.345 20 5 DCBDMM O=C(COc1ccc([N+](=O)[O-])cc1)NC1(c2nn[n-]n2)CCC1 ZINC001455354294 1159756989 /nfs/dbraw/zinc/75/69/89/1159756989.db2.gz WLURZPRGJVMWAS-UHFFFAOYSA-N -1 1 318.293 0.682 20 5 DCBDMM COC[C@@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1nn[n-]n1 ZINC001455744033 1159759609 /nfs/dbraw/zinc/75/96/09/1159759609.db2.gz XFKDGTHBXFQOGZ-MEQVVJDKSA-N -1 1 318.293 0.625 20 5 DCBDMM CC1(CNc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)COC1 ZINC001590134305 1166784346 /nfs/dbraw/zinc/78/43/46/1166784346.db2.gz UVYCMCXFNNIPCM-UHFFFAOYSA-N -1 1 305.298 0.806 20 5 DCBDMM CC1(CNc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)COC1 ZINC001590134305 1166784353 /nfs/dbraw/zinc/78/43/53/1166784353.db2.gz UVYCMCXFNNIPCM-UHFFFAOYSA-N -1 1 305.298 0.806 20 5 DCBDMM CN(CC1(C)COC1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591052632 1167095032 /nfs/dbraw/zinc/09/50/32/1167095032.db2.gz FKPOUWVKBRCCJU-UHFFFAOYSA-N -1 1 305.298 0.643 20 5 DCBDMM CN(CC1(C)COC1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591052632 1167095036 /nfs/dbraw/zinc/09/50/36/1167095036.db2.gz FKPOUWVKBRCCJU-UHFFFAOYSA-N -1 1 305.298 0.643 20 5 DCBDMM CN(c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)[C@H]1CCNC1=O ZINC001591157469 1167119254 /nfs/dbraw/zinc/11/92/54/1167119254.db2.gz VLNQJRVFXAELRH-JTQLQIEISA-N -1 1 303.282 0.100 20 5 DCBDMM CN(c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)[C@H]1CCNC1=O ZINC001591157469 1167119256 /nfs/dbraw/zinc/11/92/56/1167119256.db2.gz VLNQJRVFXAELRH-JTQLQIEISA-N -1 1 303.282 0.100 20 5 DCBDMM CO[C@@H]1CC[C@@H]1N(C)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591353007 1167228017 /nfs/dbraw/zinc/22/80/17/1167228017.db2.gz FAPQFXGNTXVYOB-DTWKUNHWSA-N -1 1 305.298 0.784 20 5 DCBDMM CO[C@@H]1CC[C@@H]1N(C)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591353007 1167228024 /nfs/dbraw/zinc/22/80/24/1167228024.db2.gz FAPQFXGNTXVYOB-DTWKUNHWSA-N -1 1 305.298 0.784 20 5 DCBDMM COCC(COC)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001591377178 1167247576 /nfs/dbraw/zinc/24/75/76/1167247576.db2.gz HDMWOAXQYGVBSZ-UHFFFAOYSA-N -1 1 314.327 0.910 20 5 DCBDMM COCC(COC)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001591377178 1167247582 /nfs/dbraw/zinc/24/75/82/1167247582.db2.gz HDMWOAXQYGVBSZ-UHFFFAOYSA-N -1 1 314.327 0.910 20 5 DCBDMM COC[C@@H](CCO)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591375689 1167247795 /nfs/dbraw/zinc/24/77/95/1167247795.db2.gz HKYIBKXKACRYIF-SECBINFHSA-N -1 1 308.298 0.584 20 5 DCBDMM Cc1cc(N2C[C@H](O)C[C@H]2CO)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592010907 1167435156 /nfs/dbraw/zinc/43/51/56/1167435156.db2.gz VEIPHQNCZJBVOM-VHSXEESVSA-N -1 1 320.309 0.015 20 5 DCBDMM Cc1cc(N2C[C@H](O)C[C@H]2CO)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592010907 1167435159 /nfs/dbraw/zinc/43/51/59/1167435159.db2.gz VEIPHQNCZJBVOM-VHSXEESVSA-N -1 1 320.309 0.015 20 5 DCBDMM Cc1nnc(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])n1C ZINC001592443100 1167524195 /nfs/dbraw/zinc/52/41/95/1167524195.db2.gz TUYYFERMUMFXDA-UHFFFAOYSA-N -1 1 321.326 0.885 20 5 DCBDMM Cc1nnc(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])n1C ZINC001592443100 1167524203 /nfs/dbraw/zinc/52/42/03/1167524203.db2.gz TUYYFERMUMFXDA-UHFFFAOYSA-N -1 1 321.326 0.885 20 5 DCBDMM Cn1cnc([N+](=O)[O-])c1NC(=O)c1csc(-c2nn[n-]n2)c1 ZINC001592588990 1167574029 /nfs/dbraw/zinc/57/40/29/1167574029.db2.gz NHXSETOGFDGYAM-UHFFFAOYSA-N -1 1 320.294 0.822 20 5 DCBDMM Nc1cc(NC[C@H]2CCCO2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592760451 1167635691 /nfs/dbraw/zinc/63/56/91/1167635691.db2.gz YNHKOUVCJWGVEQ-MRVPVSSYSA-N -1 1 305.298 0.948 20 5 DCBDMM Nc1cc(NC[C@H]2CCCO2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592760451 1167635694 /nfs/dbraw/zinc/63/56/94/1167635694.db2.gz YNHKOUVCJWGVEQ-MRVPVSSYSA-N -1 1 305.298 0.948 20 5 DCBDMM O=[N+]([O-])c1cc(F)c(Cn2cnc(-c3nn[n-]n3)n2)c(F)c1 ZINC001593471233 1167862469 /nfs/dbraw/zinc/86/24/69/1167862469.db2.gz LRARHWAQCMNGDY-UHFFFAOYSA-N -1 1 308.208 0.693 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1CCC2(C1)OCCO2 ZINC001593488182 1167871245 /nfs/dbraw/zinc/87/12/45/1167871245.db2.gz QUKRHAGSURPGKI-UHFFFAOYSA-N -1 1 324.322 0.790 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1CCC2(C1)OCCO2 ZINC001593488182 1167871250 /nfs/dbraw/zinc/87/12/50/1167871250.db2.gz QUKRHAGSURPGKI-UHFFFAOYSA-N -1 1 324.322 0.790 20 5 DCBDMM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)c1 ZINC001600487201 1168191153 /nfs/dbraw/zinc/19/11/53/1168191153.db2.gz SCIWVQPSXCZONP-LLVKDONJSA-N -1 1 321.333 0.992 20 5 DCBDMM NC(=O)c1ccc(CN[C@@]2(CC(=O)[O-])CCOC2)c([N+](=O)[O-])c1 ZINC001601165548 1168617939 /nfs/dbraw/zinc/61/79/39/1168617939.db2.gz PMSBADTUDFGEGU-CQSZACIVSA-N -1 1 323.305 0.417 20 5 DCBDMM CN(Cc1nncn1C)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001604827175 1169699776 /nfs/dbraw/zinc/69/97/76/1169699776.db2.gz XBJOFUWYPDNJOH-UHFFFAOYSA-N -1 1 315.297 0.540 20 5 DCBDMM COC(=O)[C@@H](F)CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001604957899 1169762633 /nfs/dbraw/zinc/76/26/33/1169762633.db2.gz ZWAUAUFTUMJYAN-ZETCQYMHSA-N -1 1 310.245 0.698 20 5 DCBDMM COC(=O)[C@@H](F)CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001604957899 1169762641 /nfs/dbraw/zinc/76/26/41/1169762641.db2.gz ZWAUAUFTUMJYAN-ZETCQYMHSA-N -1 1 310.245 0.698 20 5 DCBDMM COCC[C@H](CO)Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001605079246 1169814988 /nfs/dbraw/zinc/81/49/88/1169814988.db2.gz KFSVCNIRWSCAMC-ZCFIWIBFSA-N -1 1 314.327 0.646 20 5 DCBDMM COCC[C@H](CO)Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001605079246 1169815014 /nfs/dbraw/zinc/81/50/14/1169815014.db2.gz KFSVCNIRWSCAMC-ZCFIWIBFSA-N -1 1 314.327 0.646 20 5 DCBDMM Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3nnn[n-]3)n2)n1 ZINC001606243939 1170134062 /nfs/dbraw/zinc/13/40/62/1170134062.db2.gz XZZABAOFKWPALZ-UHFFFAOYSA-N -1 1 315.253 0.156 20 5 DCBDMM Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3nn[n-]n3)n2)n1 ZINC001606243939 1170134064 /nfs/dbraw/zinc/13/40/64/1170134064.db2.gz XZZABAOFKWPALZ-UHFFFAOYSA-N -1 1 315.253 0.156 20 5 DCBDMM NC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001606425972 1170196658 /nfs/dbraw/zinc/19/66/58/1170196658.db2.gz IWYOOCYYTCZKQK-SECBINFHSA-N -1 1 303.282 0.229 20 5 DCBDMM O=C([O-])C[C@@H]1COCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001608701018 1170740048 /nfs/dbraw/zinc/74/00/48/1170740048.db2.gz HMAXSFBZWUDBJZ-SNVBAGLBSA-N -1 1 310.262 0.616 20 5 DCBDMM C[C@H]1C(=O)NCCN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609153466 1170828416 /nfs/dbraw/zinc/82/84/16/1170828416.db2.gz VDHCZQUDXOLBNU-ZETCQYMHSA-N -1 1 303.282 0.100 20 5 DCBDMM Nc1cc(NC[C@@H](O)C2CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609510727 1171005688 /nfs/dbraw/zinc/00/56/88/1171005688.db2.gz CMRHZJCCCIANJV-SNVBAGLBSA-N -1 1 305.298 0.540 20 5 DCBDMM Nc1cc(NC[C@@H](O)C2CC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609510727 1171005694 /nfs/dbraw/zinc/00/56/94/1171005694.db2.gz CMRHZJCCCIANJV-SNVBAGLBSA-N -1 1 305.298 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MCKCKGVGIPHBTQ-SFYZADRCSA-N -1 1 309.261 0.079 20 5 DCBDMM CC(C)[C@H](C(=O)N(C)C)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001589412825 1166657511 /nfs/dbraw/zinc/65/75/11/1166657511.db2.gz UPLRXDBSOIGWJU-SECBINFHSA-N -1 1 308.302 0.257 20 5 DCBDMM CC1(C)CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C[C@H]1O ZINC001590105690 1166775152 /nfs/dbraw/zinc/77/51/52/1166775152.db2.gz HYPSMVSLMNLIFO-LLVKDONJSA-N -1 1 304.310 0.982 20 5 DCBDMM C[C@]12COC[C@H]1CN(c1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])C2 ZINC001590154885 1166790841 /nfs/dbraw/zinc/79/08/41/1166790841.db2.gz CHOACYCFOGXXCQ-OQPBUACISA-N -1 1 317.309 0.643 20 5 DCBDMM C[C@]12COC[C@H]1CN(c1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])C2 ZINC001590154885 1166790846 /nfs/dbraw/zinc/79/08/46/1166790846.db2.gz CHOACYCFOGXXCQ-OQPBUACISA-N -1 1 317.309 0.643 20 5 DCBDMM CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@@H]1O ZINC001590522545 1166934341 /nfs/dbraw/zinc/93/43/41/1166934341.db2.gz RDFQYLLEMYQJCD-PELKAZGASA-N -1 1 304.310 0.982 20 5 DCBDMM CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@@H]1O ZINC001590522545 1166934349 /nfs/dbraw/zinc/93/43/49/1166934349.db2.gz RDFQYLLEMYQJCD-PELKAZGASA-N -1 1 304.310 0.982 20 5 DCBDMM CCN(C)C(=O)CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590676649 1166966118 /nfs/dbraw/zinc/96/61/18/1166966118.db2.gz LSMQUILPUWEKTN-UHFFFAOYSA-N -1 1 305.298 0.665 20 5 DCBDMM CCOc1ccc(Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)nc1 ZINC001590837679 1167036741 /nfs/dbraw/zinc/03/67/41/1167036741.db2.gz UWLMJBCJUPTIQU-UHFFFAOYSA-N -1 1 316.281 0.813 20 5 DCBDMM Cc1cc(N(C)[C@@H]2COC[C@H]2O)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591998715 1167433222 /nfs/dbraw/zinc/43/32/22/1167433222.db2.gz IOHDSYXLJPBENU-GHMZBOCLSA-N -1 1 320.309 0.279 20 5 DCBDMM Cc1cc(N(C)[C@@H]2COC[C@H]2O)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591998715 1167433225 /nfs/dbraw/zinc/43/32/25/1167433225.db2.gz IOHDSYXLJPBENU-GHMZBOCLSA-N -1 1 320.309 0.279 20 5 DCBDMM Cc1csc(=O)n1CCn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001592312708 1167487794 /nfs/dbraw/zinc/48/77/94/1167487794.db2.gz WGGYWURTRCGACD-UHFFFAOYSA-N -1 1 322.310 0.203 20 5 DCBDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001592501837 1167541955 /nfs/dbraw/zinc/54/19/55/1167541955.db2.gz VPTDKQLLGLBBBQ-UHFFFAOYSA-N -1 1 304.226 0.652 20 5 DCBDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001592501837 1167541958 /nfs/dbraw/zinc/54/19/58/1167541958.db2.gz VPTDKQLLGLBBBQ-UHFFFAOYSA-N -1 1 304.226 0.652 20 5 DCBDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2csc([N+](=O)[O-])c2)n1 ZINC001592560178 1167560608 /nfs/dbraw/zinc/56/06/08/1167560608.db2.gz QIWFSSZHVZFHNI-UHFFFAOYSA-N -1 1 320.294 0.822 20 5 DCBDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2csc([N+](=O)[O-])c2)n1 ZINC001592560178 1167560613 /nfs/dbraw/zinc/56/06/13/1167560613.db2.gz QIWFSSZHVZFHNI-UHFFFAOYSA-N -1 1 320.294 0.822 20 5 DCBDMM NC(=O)[C@@H]1CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001592719845 1167610940 /nfs/dbraw/zinc/61/09/40/1167610940.db2.gz BVEBCHMXXHQIFD-RXMQYKEDSA-N -1 1 309.311 0.148 20 5 DCBDMM NC(=O)[C@@H]1CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001592719845 1167610941 /nfs/dbraw/zinc/61/09/41/1167610941.db2.gz BVEBCHMXXHQIFD-RXMQYKEDSA-N -1 1 309.311 0.148 20 5 DCBDMM Nc1cc(NC[C@@H]2CC[C@H](O)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592760443 1167636225 /nfs/dbraw/zinc/63/62/25/1167636225.db2.gz YGGFOUPIUKKMSH-APPZFPTMSA-N -1 1 319.325 0.930 20 5 DCBDMM Nc1cc(NC[C@@H]2CC[C@H](O)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592760443 1167636230 /nfs/dbraw/zinc/63/62/30/1167636230.db2.gz YGGFOUPIUKKMSH-APPZFPTMSA-N -1 1 319.325 0.930 20 5 DCBDMM O=C(Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1)NC1CCCC1 ZINC001592937472 1167668407 /nfs/dbraw/zinc/66/84/07/1167668407.db2.gz DFIKOXCQWBDAAH-UHFFFAOYSA-N -1 1 306.286 0.030 20 5 DCBDMM O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1ccsc1-c1nnn[n-]1 ZINC001593211862 1167738376 /nfs/dbraw/zinc/73/83/76/1167738376.db2.gz CZSCWEVIFCHMTM-UHFFFAOYSA-N -1 1 306.267 0.812 20 5 DCBDMM O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1ccsc1-c1nn[n-]n1 ZINC001593211862 1167738383 /nfs/dbraw/zinc/73/83/83/1167738383.db2.gz CZSCWEVIFCHMTM-UHFFFAOYSA-N -1 1 306.267 0.812 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCC1CC(O)C1 ZINC001593465740 1167854059 /nfs/dbraw/zinc/85/40/59/1167854059.db2.gz YGACZEODVCNQEW-UHFFFAOYSA-N -1 1 305.298 0.743 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCC1CC(O)C1 ZINC001593465740 1167854069 /nfs/dbraw/zinc/85/40/69/1167854069.db2.gz YGACZEODVCNQEW-UHFFFAOYSA-N -1 1 305.298 0.743 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CC[C@H](O)[C@H](F)C1 ZINC001593466917 1167858874 /nfs/dbraw/zinc/85/88/74/1167858874.db2.gz PJZZKXPJFHNUGN-SCZZXKLOSA-N -1 1 308.273 0.684 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CC[C@H](O)[C@H](F)C1 ZINC001593466917 1167858881 /nfs/dbraw/zinc/85/88/81/1167858881.db2.gz PJZZKXPJFHNUGN-SCZZXKLOSA-N -1 1 308.273 0.684 20 5 DCBDMM O=[N+]([O-])c1ccc(N2CC(O)(C3CC3)C2)cc1-c1nnn[n-]1 ZINC001593476531 1167862319 /nfs/dbraw/zinc/86/23/19/1167862319.db2.gz QDQWPKZJQSOBTK-UHFFFAOYSA-N -1 1 302.294 0.736 20 5 DCBDMM O=[N+]([O-])c1ccc(N2CC(O)(C3CC3)C2)cc1-c1nn[n-]n1 ZINC001593476531 1167862327 /nfs/dbraw/zinc/86/23/27/1167862327.db2.gz QDQWPKZJQSOBTK-UHFFFAOYSA-N -1 1 302.294 0.736 20 5 DCBDMM O=C(CCCc1nn[n-]n1)NCCc1cccc([N+](=O)[O-])c1 ZINC001598390432 1168020793 /nfs/dbraw/zinc/02/07/93/1168020793.db2.gz KPIWOZKIMWGVJO-UHFFFAOYSA-N -1 1 304.310 0.790 20 5 DCBDMM O=C([O-])[C@H]1c2ccccc2OCCN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001601871380 1168921802 /nfs/dbraw/zinc/92/18/02/1168921802.db2.gz KRLDTOZFYGSFFJ-CKYFFXLPSA-N -1 1 306.274 0.699 20 5 DCBDMM CC1(C)OC[C@H](CCn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)O1 ZINC001603793382 1169395545 /nfs/dbraw/zinc/39/55/45/1169395545.db2.gz UXENWZDQAXOZSV-ZETCQYMHSA-N -1 1 309.286 0.513 20 5 DCBDMM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CCN1CCC(=O)[O-] ZINC001604781287 1169678798 /nfs/dbraw/zinc/67/87/98/1169678798.db2.gz XYMLKKWGTOQBTD-JTQLQIEISA-N -1 1 324.337 0.554 20 5 DCBDMM CN1CC[C@@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1=O ZINC001604856244 1169713180 /nfs/dbraw/zinc/71/31/80/1169713180.db2.gz WPGNELMWPZXPQF-RXMQYKEDSA-N -1 1 309.311 0.479 20 5 DCBDMM CN1CC[C@@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1=O ZINC001604856244 1169713185 /nfs/dbraw/zinc/71/31/85/1169713185.db2.gz WPGNELMWPZXPQF-RXMQYKEDSA-N -1 1 309.311 0.479 20 5 DCBDMM C[S@](=O)c1nncn1-c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001605361251 1169904933 /nfs/dbraw/zinc/90/49/33/1169904933.db2.gz GCZRUTSPPGPFRY-QFIPXVFZSA-N -1 1 320.294 0.093 20 5 DCBDMM Nc1cc(NC[C@H](O)C2CCC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001606451567 1170207463 /nfs/dbraw/zinc/20/74/63/1170207463.db2.gz TZLOQPPCAJRWAM-NSHDSACASA-N -1 1 319.325 0.930 20 5 DCBDMM Nc1cc(NC[C@H](O)C2CCC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001606451567 1170207466 /nfs/dbraw/zinc/20/74/66/1170207466.db2.gz TZLOQPPCAJRWAM-NSHDSACASA-N -1 1 319.325 0.930 20 5 DCBDMM O=C(Cn1cnc(-c2nn[n-]n2)n1)c1cccc([N+](=O)[O-])c1 ZINC001606623201 1170246742 /nfs/dbraw/zinc/24/67/42/1170246742.db2.gz AWUMGXIXWUPOFS-UHFFFAOYSA-N -1 1 300.238 0.249 20 5 DCBDMM O=[N+]([O-])c1cc(N[C@@H]2CCS(=O)(=O)C2)ccc1-c1nn[n-]n1 ZINC001607078871 1170381449 /nfs/dbraw/zinc/38/14/49/1170381449.db2.gz AZOLROBXEYNORD-MRVPVSSYSA-N -1 1 324.322 0.374 20 5 DCBDMM O=[N+]([O-])c1c(NC[C@H]2COCCO2)cccc1-c1nnn[n-]1 ZINC001607078393 1170382585 /nfs/dbraw/zinc/38/25/85/1170382585.db2.gz XVWKYRQHTYDLHY-QMMMGPOBSA-N -1 1 306.282 0.602 20 5 DCBDMM O=[N+]([O-])c1c(NC[C@H]2COCCO2)cccc1-c1nn[n-]n1 ZINC001607078393 1170382591 /nfs/dbraw/zinc/38/25/91/1170382591.db2.gz XVWKYRQHTYDLHY-QMMMGPOBSA-N -1 1 306.282 0.602 20 5 DCBDMM C[C@@H]1OCC[C@]1(O)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609179231 1170854622 /nfs/dbraw/zinc/85/46/22/1170854622.db2.gz NMECFHCAXUYOJZ-MADCSZMMSA-N -1 1 321.297 0.122 20 5 DCBDMM C[C@@H]1OCC[C@]1(O)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609179231 1170854631 /nfs/dbraw/zinc/85/46/31/1170854631.db2.gz NMECFHCAXUYOJZ-MADCSZMMSA-N -1 1 321.297 0.122 20 5 DCBDMM O=[N+]([O-])c1cc(N2C[C@@H](O)C3(CC3)C2)ccc1-c1nn[n-]n1 ZINC001609600475 1171038803 /nfs/dbraw/zinc/03/88/03/1171038803.db2.gz LMIJOPQGEAWGIR-LLVKDONJSA-N -1 1 302.294 0.736 20 5 DCBDMM O=[N+]([O-])c1cc2c(ncnc2-n2cnc(-c3nn[n-]n3)n2)s1 ZINC001609601007 1171039204 /nfs/dbraw/zinc/03/92/04/1171039204.db2.gz NKBONUXHSMFHEA-UHFFFAOYSA-N -1 1 316.266 0.360 20 5 DCBDMM O=[N+]([O-])c1cc(N2CC[C@@](F)(CO)C2)ccc1-c1nn[n-]n1 ZINC001609600934 1171040768 /nfs/dbraw/zinc/04/07/68/1171040768.db2.gz KHERYYICKRFMSL-LBPRGKRZSA-N -1 1 308.273 0.686 20 5 DCBDMM O=C([O-])c1cn([C@@H]2CCCC[C@H]2OC(=O)[C@@H]2CC2[N+](=O)[O-])nn1 ZINC001610860368 1171343017 /nfs/dbraw/zinc/34/30/17/1171343017.db2.gz CFSSXKOQDBLYNB-QCNRFFRDSA-N -1 1 324.293 0.668 20 5 DCBDMM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC(c2nn[nH]n2)CC1 ZINC001636174854 1171728498 /nfs/dbraw/zinc/72/84/98/1171728498.db2.gz WOTJBVYWQMPDGB-UHFFFAOYSA-N -1 1 318.293 0.833 20 5 DCBDMM O=C(N[C@@H](CO)C[C@H]1CCCO1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001644831881 1172022151 /nfs/dbraw/zinc/02/21/51/1172022151.db2.gz 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COCc1nsc([N-]C(=O)c2c([N+](=O)[O-])c(C)nn2C)n1 ZINC001320963177 946088835 /nfs/dbraw/zinc/08/88/35/946088835.db2.gz MGCOSMGAWMDJEA-UHFFFAOYSA-N -1 1 312.311 0.887 20 5 DCBDMM Cc1cc(=O)n2[n-]c(NC(=O)c3ccccc3[N+](=O)[O-])nc2n1 ZINC001324295232 947380673 /nfs/dbraw/zinc/38/06/73/947380673.db2.gz PNNXJDZFBGVDCR-UHFFFAOYSA-N -1 1 314.261 0.887 20 5 DCBDMM Cc1nn(C)c(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c1[N+](=O)[O-] ZINC001338286850 952989906 /nfs/dbraw/zinc/98/99/06/952989906.db2.gz HEIRPURBNDGCBV-ZCFIWIBFSA-N -1 1 308.302 0.026 20 5 DCBDMM C[C@H](NCCS(=O)(=O)CC(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001594240938 959533409 /nfs/dbraw/zinc/53/34/09/959533409.db2.gz ONSOEQSSTVRESJ-VIFPVBQESA-N -1 1 316.335 0.745 20 5 DCBDMM CC(C)c1[nH]nc(C(=O)N2CC[C@](O)(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC001591921508 976395426 /nfs/dbraw/zinc/39/54/26/976395426.db2.gz ZBEDPUWIDNOSRA-GFCCVEGCSA-N -1 1 312.282 0.103 20 5 DCBDMM CON1CCC(N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC001450977363 1015498800 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/nfs/dbraw/zinc/05/12/00/668051200.db2.gz SESAJYKWJQALFW-ZETCQYMHSA-N -1 1 320.327 0.041 20 5 DCBDMM CN(CC(=O)OCc1nc(=O)n(C)[n-]1)c1ccccc1[N+](=O)[O-] ZINC000765488371 668495672 /nfs/dbraw/zinc/49/56/72/668495672.db2.gz LJCYOTBDVYGBIB-UHFFFAOYSA-N -1 1 321.293 0.196 20 5 DCBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)N1CCOCC1 ZINC000769049685 668631394 /nfs/dbraw/zinc/63/13/94/668631394.db2.gz RCEKZSLNVRKBKP-UHFFFAOYSA-N -1 1 310.262 0.316 20 5 DCBDMM C[C@H](OC(=O)c1cn[n-]n1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000805604254 668895769 /nfs/dbraw/zinc/89/57/69/668895769.db2.gz AXSOUCGFZDGXAB-ZETCQYMHSA-N -1 1 305.250 0.897 20 5 DCBDMM COc1ccc(OCCOC(=O)c2cn[n-]n2)c([N+](=O)[O-])c1 ZINC000805607472 668899568 /nfs/dbraw/zinc/89/95/68/668899568.db2.gz LIEDDRCCLBDBNO-UHFFFAOYSA-N -1 1 308.250 0.957 20 5 DCBDMM O=C(Nc1nnn[n-]1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781983021 669073107 /nfs/dbraw/zinc/07/31/07/669073107.db2.gz QSEPEHFEDRPRNT-SECBINFHSA-N -1 1 303.238 0.240 20 5 DCBDMM O=C(Nc1nn[n-]n1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781983021 669073114 /nfs/dbraw/zinc/07/31/14/669073114.db2.gz QSEPEHFEDRPRNT-SECBINFHSA-N -1 1 303.238 0.240 20 5 DCBDMM O=C(Nc1nnn[n-]1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781983022 669073324 /nfs/dbraw/zinc/07/33/24/669073324.db2.gz QSEPEHFEDRPRNT-VIFPVBQESA-N -1 1 303.238 0.240 20 5 DCBDMM O=C(Nc1nn[n-]n1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000781983022 669073330 /nfs/dbraw/zinc/07/33/30/669073330.db2.gz QSEPEHFEDRPRNT-VIFPVBQESA-N -1 1 303.238 0.240 20 5 DCBDMM O=C(NCc1nc(C2CC2)no1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000786800968 669332170 /nfs/dbraw/zinc/33/21/70/669332170.db2.gz XAOFPXZKTHGDLU-UHFFFAOYSA-N -1 1 305.250 0.886 20 5 DCBDMM CC(C)(CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])C(N)=O ZINC001589293426 1166644569 /nfs/dbraw/zinc/64/45/69/1166644569.db2.gz XYMSSUSPZVANHF-UHFFFAOYSA-N -1 1 305.298 0.698 20 5 DCBDMM CC(C)(CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])C(N)=O ZINC001589293426 1166644574 /nfs/dbraw/zinc/64/45/74/1166644574.db2.gz XYMSSUSPZVANHF-UHFFFAOYSA-N -1 1 305.298 0.698 20 5 DCBDMM CC(C)[C@H](C)NC(=O)Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001589436936 1166659249 /nfs/dbraw/zinc/65/92/49/1166659249.db2.gz MRQNUVJJTBFHMI-ZETCQYMHSA-N -1 1 308.302 0.132 20 5 DCBDMM C[C@H]1CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC(=O)N1C ZINC001590315568 1166858962 /nfs/dbraw/zinc/85/89/62/1166858962.db2.gz XLIYPJHFOBLFJL-LURJTMIESA-N -1 1 323.338 0.503 20 5 DCBDMM C[C@H]1CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC(=O)N1C ZINC001590315568 1166858965 /nfs/dbraw/zinc/85/89/65/1166858965.db2.gz XLIYPJHFOBLFJL-LURJTMIESA-N -1 1 323.338 0.503 20 5 DCBDMM COC(=O)[C@@H](C)CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591228575 1167168779 /nfs/dbraw/zinc/16/87/79/1167168779.db2.gz IFVYIUSVSYADAY-ZETCQYMHSA-N -1 1 306.282 0.996 20 5 DCBDMM COC(=O)C[C@H](C)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591270406 1167191300 /nfs/dbraw/zinc/19/13/00/1167191300.db2.gz SEMFLKMOFQZXAL-LURJTMIESA-N -1 1 307.270 0.533 20 5 DCBDMM COC(=O)C[C@H](C)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591270406 1167191308 /nfs/dbraw/zinc/19/13/08/1167191308.db2.gz SEMFLKMOFQZXAL-LURJTMIESA-N -1 1 307.270 0.533 20 5 DCBDMM CON(C)C(=O)CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001591462791 1167297015 /nfs/dbraw/zinc/29/70/15/1167297015.db2.gz OBUNNIDMTHEAST-UHFFFAOYSA-N -1 1 313.299 0.268 20 5 DCBDMM CON(C)C(=O)CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001591462791 1167297023 /nfs/dbraw/zinc/29/70/23/1167297023.db2.gz OBUNNIDMTHEAST-UHFFFAOYSA-N -1 1 313.299 0.268 20 5 DCBDMM Cc1cc(N[C@@H]2CNC(=O)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592038210 1167440491 /nfs/dbraw/zinc/44/04/91/1167440491.db2.gz AGRHAMCATAZYGA-QMMMGPOBSA-N -1 1 303.282 0.384 20 5 DCBDMM Cc1cc(N[C@@H]2CNC(=O)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592038210 1167440501 /nfs/dbraw/zinc/44/05/01/1167440501.db2.gz AGRHAMCATAZYGA-QMMMGPOBSA-N -1 1 303.282 0.384 20 5 DCBDMM Cc1nnc([C@H](C)n2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)s1 ZINC001592441105 1167526079 /nfs/dbraw/zinc/52/60/79/1167526079.db2.gz RQNSOTKAZIEWQA-BYPYZUCNSA-N -1 1 307.299 0.741 20 5 DCBDMM Nc1cc(NCCn2cccn2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759622 1167635872 /nfs/dbraw/zinc/63/58/72/1167635872.db2.gz DPKJKOZKGZWDRH-UHFFFAOYSA-N -1 1 315.297 0.666 20 5 DCBDMM Nc1cc(NCCn2cccn2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759622 1167635874 /nfs/dbraw/zinc/63/58/74/1167635874.db2.gz DPKJKOZKGZWDRH-UHFFFAOYSA-N -1 1 315.297 0.666 20 5 DCBDMM O=C(Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1)c1nccs1 ZINC001592937853 1167667687 /nfs/dbraw/zinc/66/76/87/1167667687.db2.gz RGUSVORCYREWNH-UHFFFAOYSA-N -1 1 306.267 0.311 20 5 DCBDMM O=C(NCc1ccc(-c2nn[n-]n2)s1)c1c[nH]nc1[N+](=O)[O-] ZINC001593136232 1167720504 /nfs/dbraw/zinc/72/05/04/1167720504.db2.gz FKPBZWFGZLNYKY-UHFFFAOYSA-N -1 1 320.294 0.490 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCO[C@H](CCF)C1 ZINC001593466113 1167851934 /nfs/dbraw/zinc/85/19/34/1167851934.db2.gz MGHVDKKEIUYNBD-MRVPVSSYSA-N -1 1 323.288 0.735 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCO[C@H](CCF)C1 ZINC001593466113 1167851941 /nfs/dbraw/zinc/85/19/41/1167851941.db2.gz MGHVDKKEIUYNBD-MRVPVSSYSA-N -1 1 323.288 0.735 20 5 DCBDMM O=[N+]([O-])c1cc(N2CCn3nncc3C2)ccc1-c1nn[n-]n1 ZINC001593471250 1167861854 /nfs/dbraw/zinc/86/18/54/1167861854.db2.gz MQOWZLSEFIQXNJ-UHFFFAOYSA-N -1 1 313.281 0.387 20 5 DCBDMM CCOC[C@H](C(=O)[O-])N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001596875533 1167998014 /nfs/dbraw/zinc/99/80/14/1167998014.db2.gz FAHZDJCOTGFVKL-LLVKDONJSA-N -1 1 312.278 0.862 20 5 DCBDMM O=C([O-])COc1ccc(CNCc2nnc[nH]2)cc1[N+](=O)[O-] ZINC001602085152 1168992584 /nfs/dbraw/zinc/99/25/84/1168992584.db2.gz YBLWREAUUDMGND-UHFFFAOYSA-N -1 1 307.266 0.466 20 5 DCBDMM O=C([O-])c1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])nc1C1CC1 ZINC001602343850 1169062020 /nfs/dbraw/zinc/06/20/20/1169062020.db2.gz TXPJDIOCJIVJKU-GHMZBOCLSA-N -1 1 305.290 0.939 20 5 DCBDMM CC[C@@](C)(O)CNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001603987402 1169466114 /nfs/dbraw/zinc/46/61/14/1169466114.db2.gz QVTCSQHTSKTYDQ-GFCCVEGCSA-N -1 1 307.314 0.930 20 5 DCBDMM CC[C@@](C)(O)CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001603987402 1169466116 /nfs/dbraw/zinc/46/61/16/1169466116.db2.gz QVTCSQHTSKTYDQ-GFCCVEGCSA-N -1 1 307.314 0.930 20 5 DCBDMM COC(=O)C1CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001604927366 1169748683 /nfs/dbraw/zinc/74/86/83/1169748683.db2.gz RKIBFSCKSDVKPX-UHFFFAOYSA-N -1 1 310.295 0.446 20 5 DCBDMM COC(=O)C1CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001604927366 1169748686 /nfs/dbraw/zinc/74/86/86/1169748686.db2.gz RKIBFSCKSDVKPX-UHFFFAOYSA-N -1 1 310.295 0.446 20 5 DCBDMM COCCN1CC[C@@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001606896297 1170325559 /nfs/dbraw/zinc/32/55/59/1170325559.db2.gz TTWPPWBWTPVOCP-SECBINFHSA-N -1 1 310.310 0.821 20 5 DCBDMM O=[N+]([O-])c1cc(NC[C@@H](O)[C@@H]2CCCO2)ccc1-c1nn[n-]n1 ZINC001607079288 1170382165 /nfs/dbraw/zinc/38/21/65/1170382165.db2.gz FNLWQWMLKBUNLD-NEPJUHHUSA-N -1 1 320.309 0.727 20 5 DCBDMM COC(=O)[C@@H]1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001609296819 1170919409 /nfs/dbraw/zinc/91/94/09/1170919409.db2.gz UMBRXXJZGOHOEF-MRVPVSSYSA-N -1 1 318.293 0.774 20 5 DCBDMM COC(=O)[C@@H]1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001609296819 1170919415 /nfs/dbraw/zinc/91/94/15/1170919415.db2.gz UMBRXXJZGOHOEF-MRVPVSSYSA-N -1 1 318.293 0.774 20 5 DCBDMM C[C@](O)(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(=O)[O-] ZINC001609785341 1171084440 /nfs/dbraw/zinc/08/44/40/1171084440.db2.gz SNPDVBADCQDYHE-AWEZNQCLSA-N -1 1 309.322 0.552 20 5 DCBDMM COC1(OC)CC(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC001611703770 1171358263 /nfs/dbraw/zinc/35/82/63/1171358263.db2.gz CXQGFTBLAIHXGK-UHFFFAOYSA-N -1 1 311.294 0.824 20 5 DCBDMM O=C(Cc1cccc([N+](=O)[O-])c1)N1CCOC[C@H]1c1nn[n-]n1 ZINC001635090053 1171692523 /nfs/dbraw/zinc/69/25/23/1171692523.db2.gz GIKBFHOQONJHNN-NSHDSACASA-N -1 1 318.293 0.251 20 5 DCBDMM COC[C@@]1(CO)CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC001635748240 1171714607 /nfs/dbraw/zinc/71/46/07/1171714607.db2.gz PUWQXPZRGYRDFB-ZDUSSCGKSA-N -1 1 311.294 0.166 20 5 DCBDMM CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001636502469 1171740283 /nfs/dbraw/zinc/74/02/83/1171740283.db2.gz QDFZZFZPSSZKIV-QMMMGPOBSA-N -1 1 317.309 0.779 20 5 DCBDMM O=C(CSc1cn[nH]n1)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC001643736243 1171985396 /nfs/dbraw/zinc/98/53/96/1171985396.db2.gz MJORAHWIQDCXRT-UHFFFAOYSA-N -1 1 307.291 0.762 20 5 DCBDMM O=C(CSc1c[nH]nn1)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC001643736243 1171985400 /nfs/dbraw/zinc/98/54/00/1171985400.db2.gz MJORAHWIQDCXRT-UHFFFAOYSA-N -1 1 307.291 0.762 20 5 DCBDMM Cc1cnc(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cn1 ZINC001654630650 1173807730 /nfs/dbraw/zinc/80/77/30/1173807730.db2.gz GZHMEDRZFNPHJX-UHFFFAOYSA-N -1 1 303.278 0.766 20 5 DCBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1COCC[C@H]1O ZINC001663788937 1174351223 /nfs/dbraw/zinc/35/12/23/1174351223.db2.gz UIYIZEGRBYFPIK-RKDXNWHRSA-N -1 1 320.298 0.162 20 5 DCBDMM O=c1[n-]c2nc(=O)[nH]c(Nc3cnc(F)c([N+](=O)[O-])c3)c2[nH]1 ZINC001170218114 762570218 /nfs/dbraw/zinc/57/02/18/762570218.db2.gz FPDPLDFZRPSLPE-UHFFFAOYSA-N -1 1 307.201 0.902 20 5 DCBDMM Cc1nnc([C@H]2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)[nH]1 ZINC001142369584 768641939 /nfs/dbraw/zinc/64/19/39/768641939.db2.gz PUBGWAHJUNNOCX-QMMMGPOBSA-N -1 1 318.293 0.752 20 5 DCBDMM O=C(NCCNc1ncccc1[N+](=O)[O-])c1ncccc1[O-] ZINC001093562670 768650711 /nfs/dbraw/zinc/65/07/11/768650711.db2.gz BFFBSQAVSHWEOE-UHFFFAOYSA-N -1 1 303.278 0.932 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-]Cc2ncc[nH]2)c([N+](=O)[O-])n1 ZINC001211011418 773759398 /nfs/dbraw/zinc/75/93/98/773759398.db2.gz VJZYDSJSYQPPFY-UHFFFAOYSA-N -1 1 300.300 0.013 20 5 DCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CC12CCOCC2 ZINC001463733539 1013159027 /nfs/dbraw/zinc/15/90/27/1013159027.db2.gz UASCMLGGBZPQKF-JTQLQIEISA-N -1 1 313.335 0.837 20 5 DCBDMM CC[C@@H]1COCCN1CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001303339503 960049898 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1164409463 /nfs/dbraw/zinc/40/94/63/1164409463.db2.gz VSBNTHYEWBZGNV-MUWHJKNJSA-N -1 1 309.286 0.732 20 5 DCBDMM C[C@@H](O)[C@H]1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001589995953 1166742538 /nfs/dbraw/zinc/74/25/38/1166742538.db2.gz NTSQCAZNAAHKLP-SFYZADRCSA-N -1 1 319.325 0.564 20 5 DCBDMM C[C@@H](O)[C@H]1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001589995953 1166742541 /nfs/dbraw/zinc/74/25/41/1166742541.db2.gz NTSQCAZNAAHKLP-SFYZADRCSA-N -1 1 319.325 0.564 20 5 DCBDMM C[C@H](O)[C@@H]1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001589995952 1166743341 /nfs/dbraw/zinc/74/33/41/1166743341.db2.gz NTSQCAZNAAHKLP-JGVFFNPUSA-N -1 1 319.325 0.564 20 5 DCBDMM C[C@H](O)[C@@H]1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001589995952 1166743347 /nfs/dbraw/zinc/74/33/47/1166743347.db2.gz NTSQCAZNAAHKLP-JGVFFNPUSA-N -1 1 319.325 0.564 20 5 DCBDMM CC1(C)CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@@H]1O ZINC001590107894 1166776026 /nfs/dbraw/zinc/77/60/26/1166776026.db2.gz JKCWKTMQSYSBOB-NSHDSACASA-N -1 1 304.310 0.982 20 5 DCBDMM CC1(C)CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@@H]1O ZINC001590107894 1166776031 /nfs/dbraw/zinc/77/60/31/1166776031.db2.gz JKCWKTMQSYSBOB-NSHDSACASA-N -1 1 304.310 0.982 20 5 DCBDMM C[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@]1(C)CO ZINC001590318151 1166863422 /nfs/dbraw/zinc/86/34/22/1166863422.db2.gz QPNXXJHTVXXGBQ-AMIZOPFISA-N -1 1 319.325 0.625 20 5 DCBDMM C[C@@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@]1(C)CO ZINC001590318151 1166863426 /nfs/dbraw/zinc/86/34/26/1166863426.db2.gz QPNXXJHTVXXGBQ-AMIZOPFISA-N -1 1 319.325 0.625 20 5 DCBDMM COCC[C@@H](COC)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591399303 1167268550 /nfs/dbraw/zinc/26/85/50/1167268550.db2.gz RTRBVGQVCYNSQG-QMMMGPOBSA-N -1 1 323.313 0.633 20 5 DCBDMM COCC[C@@H](COC)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591399303 1167268556 /nfs/dbraw/zinc/26/85/56/1167268556.db2.gz RTRBVGQVCYNSQG-QMMMGPOBSA-N -1 1 323.313 0.633 20 5 DCBDMM Cc1cc(NCCOCCCO)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592050261 1167447109 /nfs/dbraw/zinc/44/71/09/1167447109.db2.gz LAKSERIESBWEJE-UHFFFAOYSA-N -1 1 322.325 0.894 20 5 DCBDMM Cc1cc(NCCOCCCO)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592050261 1167447112 /nfs/dbraw/zinc/44/71/12/1167447112.db2.gz LAKSERIESBWEJE-UHFFFAOYSA-N -1 1 322.325 0.894 20 5 DCBDMM O=C1[C@H](n2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)CCN1C1CCC1 ZINC001593382538 1167794041 /nfs/dbraw/zinc/79/40/41/1167794041.db2.gz NYLIGBFMLURADR-MRVPVSSYSA-N -1 1 318.297 0.297 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCC1(CO)CC1 ZINC001593465325 1167852382 /nfs/dbraw/zinc/85/23/82/1167852382.db2.gz LTMWKQAOIHQGLV-UHFFFAOYSA-N -1 1 305.298 0.744 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCC1(CO)CC1 ZINC001593465325 1167852400 /nfs/dbraw/zinc/85/24/00/1167852400.db2.gz LTMWKQAOIHQGLV-UHFFFAOYSA-N -1 1 305.298 0.744 20 5 DCBDMM O=[N+]([O-])c1c(NC[C@@]2(O)CCOC2)cccc1-c1nnn[n-]1 ZINC001593466011 1167855063 /nfs/dbraw/zinc/85/50/63/1167855063.db2.gz UFGLKBJANDRMHW-LBPRGKRZSA-N -1 1 306.282 0.338 20 5 DCBDMM O=[N+]([O-])c1c(NC[C@@]2(O)CCOC2)cccc1-c1nn[n-]n1 ZINC001593466011 1167855077 /nfs/dbraw/zinc/85/50/77/1167855077.db2.gz UFGLKBJANDRMHW-LBPRGKRZSA-N -1 1 306.282 0.338 20 5 DCBDMM O=[N+]([O-])c1ccc(Oc2cncc(-c3nnn[n-]3)n2)cc1CO ZINC001593479552 1167868699 /nfs/dbraw/zinc/86/86/99/1167868699.db2.gz KFISCLZSHAZDGQ-UHFFFAOYSA-N -1 1 315.249 0.850 20 5 DCBDMM O=[N+]([O-])c1ccc(Oc2cncc(-c3nn[n-]n3)n2)cc1CO ZINC001593479552 1167868712 /nfs/dbraw/zinc/86/87/12/1167868712.db2.gz KFISCLZSHAZDGQ-UHFFFAOYSA-N -1 1 315.249 0.850 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC001593489233 1167871321 /nfs/dbraw/zinc/87/13/21/1167871321.db2.gz XAURDFIMJHOGJZ-HLWYMKQYSA-N -1 1 312.311 0.133 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC001593489233 1167871330 /nfs/dbraw/zinc/87/13/30/1167871330.db2.gz XAURDFIMJHOGJZ-HLWYMKQYSA-N -1 1 312.311 0.133 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NC[C@@H]1COCCO1 ZINC001593487689 1167872479 /nfs/dbraw/zinc/87/24/79/1167872479.db2.gz FBIFHZTVRFURFF-ZCFIWIBFSA-N -1 1 312.311 0.664 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NC[C@@H]1COCCO1 ZINC001593487689 1167872492 /nfs/dbraw/zinc/87/24/92/1167872492.db2.gz FBIFHZTVRFURFF-ZCFIWIBFSA-N -1 1 312.311 0.664 20 5 DCBDMM O=C([O-])c1ccc2c(c1)OCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001602424028 1169075738 /nfs/dbraw/zinc/07/57/38/1169075738.db2.gz OHEMLEVHOSZIKU-GHMZBOCLSA-N -1 1 306.274 0.771 20 5 DCBDMM CN1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCC1=O ZINC001604846509 1169705890 /nfs/dbraw/zinc/70/58/90/1169705890.db2.gz MBSNEFXKDVTRNS-VIFPVBQESA-N -1 1 317.309 0.808 20 5 DCBDMM CN1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCC1=O ZINC001604846509 1169705894 /nfs/dbraw/zinc/70/58/94/1169705894.db2.gz MBSNEFXKDVTRNS-VIFPVBQESA-N -1 1 317.309 0.808 20 5 DCBDMM CNC(=O)C[C@H](C)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001604879162 1169727352 /nfs/dbraw/zinc/72/73/52/1169727352.db2.gz UJDLROOYCGGZFR-ZETCQYMHSA-N -1 1 305.298 0.711 20 5 DCBDMM COC[C@@](C)(O)CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001605044851 1169792716 /nfs/dbraw/zinc/79/27/16/1169792716.db2.gz QPGJJOBYZCNWBY-JTQLQIEISA-N -1 1 314.327 0.646 20 5 DCBDMM COC[C@@](C)(O)CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001605044851 1169792719 /nfs/dbraw/zinc/79/27/19/1169792719.db2.gz QPGJJOBYZCNWBY-JTQLQIEISA-N -1 1 314.327 0.646 20 5 DCBDMM COC[C@H](CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])OC ZINC001605053413 1169798034 /nfs/dbraw/zinc/79/80/34/1169798034.db2.gz WVLAMIWTPHLUSD-QMMMGPOBSA-N -1 1 323.313 0.633 20 5 DCBDMM COC[C@H](CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])OC ZINC001605053413 1169798035 /nfs/dbraw/zinc/79/80/35/1169798035.db2.gz WVLAMIWTPHLUSD-QMMMGPOBSA-N -1 1 323.313 0.633 20 5 DCBDMM Cc1cc(N[C@@H]2COC[C@H]2O)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605740420 1169996626 /nfs/dbraw/zinc/99/66/26/1169996626.db2.gz WEGKYGQNKGHYCP-NXEZZACHSA-N -1 1 306.282 0.255 20 5 DCBDMM Cc1cc(N[C@@H]2COC[C@H]2O)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605740420 1169996631 /nfs/dbraw/zinc/99/66/31/1169996631.db2.gz WEGKYGQNKGHYCP-NXEZZACHSA-N -1 1 306.282 0.255 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@H](CCCO)C1 ZINC001607077059 1170382301 /nfs/dbraw/zinc/38/23/01/1170382301.db2.gz KBINONMPFDVCJL-VIFPVBQESA-N -1 1 319.325 0.769 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@H](CCCO)C1 ZINC001607077059 1170382306 /nfs/dbraw/zinc/38/23/06/1170382306.db2.gz KBINONMPFDVCJL-VIFPVBQESA-N -1 1 319.325 0.769 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1Nc1cnn(CCO)c1 ZINC001607088006 1170385648 /nfs/dbraw/zinc/38/56/48/1170385648.db2.gz FQGZKUQSQQNLDF-UHFFFAOYSA-N -1 1 322.310 0.769 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1Nc1cnn(CCO)c1 ZINC001607088006 1170385652 /nfs/dbraw/zinc/38/56/52/1170385652.db2.gz FQGZKUQSQQNLDF-UHFFFAOYSA-N -1 1 322.310 0.769 20 5 DCBDMM COc1ccc([C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C(=O)[O-])c(OC)c1 ZINC001607228859 1170416448 /nfs/dbraw/zinc/41/64/48/1170416448.db2.gz GFPUOBOIDYXOCF-CKYFFXLPSA-N -1 1 324.289 0.611 20 5 DCBDMM C[C@@H](Nc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1)[C@H](C)CO ZINC001609114423 1170814691 /nfs/dbraw/zinc/81/46/91/1170814691.db2.gz IIPAKKVPKXXSKR-RNFRBKRXSA-N -1 1 307.314 0.786 20 5 DCBDMM C[C@@H](Nc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1)[C@H](C)CO ZINC001609114423 1170814695 /nfs/dbraw/zinc/81/46/95/1170814695.db2.gz IIPAKKVPKXXSKR-RNFRBKRXSA-N -1 1 307.314 0.786 20 5 DCBDMM Cc1cc(NCCn2cc([N+](=O)[O-])cn2)cc(-c2nnn[n-]2)n1 ZINC001609410581 1170968800 /nfs/dbraw/zinc/96/88/00/1170968800.db2.gz LRGBVGJVUZRZJB-UHFFFAOYSA-N -1 1 315.297 0.787 20 5 DCBDMM Cc1cc(NCCn2cc([N+](=O)[O-])cn2)cc(-c2nn[n-]n2)n1 ZINC001609410581 1170968807 /nfs/dbraw/zinc/96/88/07/1170968807.db2.gz LRGBVGJVUZRZJB-UHFFFAOYSA-N -1 1 315.297 0.787 20 5 DCBDMM O=[N+]([O-])c1cc(Sc2n[nH]c(CO)n2)ccc1-c1nn[n-]n1 ZINC001609600850 1171040909 /nfs/dbraw/zinc/04/09/09/1171040909.db2.gz HFFIGUJIZSAGLK-UHFFFAOYSA-N -1 1 320.294 0.537 20 5 DCBDMM C[C@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])CCN1CCC(=O)[O-] ZINC001609864467 1171108092 /nfs/dbraw/zinc/10/80/92/1171108092.db2.gz OMKXFZNYGLZUNE-NSHDSACASA-N -1 1 315.370 0.829 20 5 DCBDMM CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H](C(=O)[O-])C1 ZINC001610136721 1171169838 /nfs/dbraw/zinc/16/98/38/1171169838.db2.gz NAQDJIPXIQGXCM-JTQLQIEISA-N -1 1 307.306 0.683 20 5 DCBDMM O=C(CCc1nn[n-]n1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001623317639 1171436857 /nfs/dbraw/zinc/43/68/57/1171436857.db2.gz XXSPXHWRFODQBB-UHFFFAOYSA-N -1 1 320.313 0.101 20 5 DCBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC(N2CCCC2=O)C1 ZINC001635946669 1171718355 /nfs/dbraw/zinc/71/83/55/1171718355.db2.gz WYGCKGVTHQCFCV-UHFFFAOYSA-N -1 1 306.278 0.142 20 5 DCBDMM O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NN1CC(=O)[N-]C1=O ZINC001638137381 1171786772 /nfs/dbraw/zinc/78/67/72/1171786772.db2.gz FIHZSYHIIAPFLY-UHFFFAOYSA-N -1 1 320.261 0.141 20 5 DCBDMM O=C(COc1cccc([N+](=O)[O-])c1)NC1(c2nn[n-]n2)CCC1 ZINC001651218188 1173744568 /nfs/dbraw/zinc/74/45/68/1173744568.db2.gz DFIKMQSQAYAFFM-UHFFFAOYSA-N -1 1 318.293 0.682 20 5 DCBDMM COC[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1nn[n-]n1 ZINC001651843929 1173753867 /nfs/dbraw/zinc/75/38/67/1173753867.db2.gz QKEYRLLLHCFQIR-SNVBAGLBSA-N -1 1 306.282 0.154 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-]Cc2nocc2C)c([N+](=O)[O-])n1 ZINC001664814244 1174463372 /nfs/dbraw/zinc/46/33/72/1174463372.db2.gz IFAXIAGNKIRMRH-UHFFFAOYSA-N -1 1 315.311 0.586 20 5 DCBDMM Cc1c(C)c([N+](=O)[O-])cnc1Nc1c(O)[nH]c(=O)[n-]c1=S ZINC001160847842 767353412 /nfs/dbraw/zinc/35/34/12/767353412.db2.gz FREZITOHVBPPOH-SSDOTTSWSA-N -1 1 309.307 0.554 20 5 DCBDMM Cn1[n-]c(CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)nc1=O ZINC001175324195 769887059 /nfs/dbraw/zinc/88/70/59/769887059.db2.gz UCHWUVXUXBIJDY-CYBMUJFWSA-N -1 1 307.310 0.014 20 5 DCBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H](C2OCCO2)C1 ZINC001184324094 771776288 /nfs/dbraw/zinc/77/62/88/771776288.db2.gz DTLPFKNYMQCUSY-MRVPVSSYSA-N -1 1 309.278 0.530 20 5 DCBDMM C[C@@H](C(=O)C1CCOCC1)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001573586755 947295063 /nfs/dbraw/zinc/29/50/63/947295063.db2.gz SIASEFVVYHSTQJ-ZETCQYMHSA-N -1 1 321.297 0.528 20 5 DCBDMM Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)n1 ZINC001295412157 957694590 /nfs/dbraw/zinc/69/45/90/957694590.db2.gz UQOQANQIEPIBPA-SECBINFHSA-N -1 1 317.309 0.831 20 5 DCBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@@H](C)O1 ZINC001309760443 960206929 /nfs/dbraw/zinc/20/69/29/960206929.db2.gz FIFGJYXPCLLPFY-IWSPIJDZSA-N -1 1 301.324 0.834 20 5 DCBDMM CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C(=O)[O-])C1 ZINC001598613225 993824597 /nfs/dbraw/zinc/82/45/97/993824597.db2.gz MOIIMFZXQAJOBT-LLVKDONJSA-N -1 1 307.306 0.683 20 5 DCBDMM C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001469696497 1016356801 /nfs/dbraw/zinc/35/68/01/1016356801.db2.gz 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O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@]12CCC[C@H]1OCC2 ZINC001475615113 1017125043 /nfs/dbraw/zinc/12/50/43/1017125043.db2.gz QMUIFUYKSPCNOL-PWSUYJOCSA-N -1 1 313.335 0.980 20 5 DCBDMM O=C(NC[C@H]1CC(=O)N(C2CC2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000272783255 210187718 /nfs/dbraw/zinc/18/77/18/210187718.db2.gz GBHALYGTZZLBNT-MRVPVSSYSA-N -1 1 320.305 0.436 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CC[C@@H](OC)C2)c([N+](=O)[O-])n1 ZINC000330980283 232265974 /nfs/dbraw/zinc/26/59/74/232265974.db2.gz GQHRQVGGWRXQSK-DTWKUNHWSA-N -1 1 318.355 0.657 20 5 DCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCC1CC(O)C1 ZINC000566598573 291314449 /nfs/dbraw/zinc/31/44/49/291314449.db2.gz RORRPOCGUQDFQK-UHFFFAOYSA-N -1 1 301.324 0.429 20 5 DCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H](O)C1CCC1 ZINC000573792959 291654752 /nfs/dbraw/zinc/65/47/52/291654752.db2.gz IYXRPYPKTOXYFS-VIFPVBQESA-N -1 1 301.324 0.429 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-]C[C@@]2(C)CCOC2)c([N+](=O)[O-])n1 ZINC000339041993 253024748 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316.335 0.428 20 5 DCBDMM O=C([O-])[C@H](CCF)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000594573606 396487929 /nfs/dbraw/zinc/48/79/29/396487929.db2.gz OKUNPFNLPYPJSX-ZETCQYMHSA-N -1 1 324.261 0.825 20 5 DCBDMM CCC[C@@H](C)C(=O)NCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000293792975 396632929 /nfs/dbraw/zinc/63/29/29/396632929.db2.gz XKFYMNFECOEJFX-SECBINFHSA-N -1 1 324.337 0.978 20 5 DCBDMM CCOC[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCO1 ZINC000600411576 396828134 /nfs/dbraw/zinc/82/81/34/396828134.db2.gz QGXASQDGIGQRSB-SNVBAGLBSA-N -1 1 311.294 0.573 20 5 DCBDMM CC[C@H](C)[C@@H](O)C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000611022195 396806647 /nfs/dbraw/zinc/80/66/47/396806647.db2.gz ZLGQIVLLVIJMIX-IUCAKERBSA-N -1 1 303.340 0.675 20 5 DCBDMM Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(C)(C)CCC(=O)[O-])n1 ZINC000600664928 396908820 /nfs/dbraw/zinc/90/88/20/396908820.db2.gz JTZZAEAXIQUZDQ-UHFFFAOYSA-N -1 1 320.327 0.250 20 5 DCBDMM CC(C)(C(=O)NCc1nn[n-]n1)c1ccc([N+](=O)[O-])cc1F ZINC000613020035 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DCBDMM O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(=O)n2[n-]cnc2n1 ZINC000352422659 415169940 /nfs/dbraw/zinc/16/99/40/415169940.db2.gz JYQPDUCORYVDOR-UHFFFAOYSA-N -1 1 300.234 0.578 20 5 DCBDMM COC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000274259176 415346780 /nfs/dbraw/zinc/34/67/80/415346780.db2.gz KNBOOTSVUNWDPW-UHFFFAOYSA-N -1 1 309.278 0.721 20 5 DCBDMM COC(=O)[C@H]1CC[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000279138877 415517659 /nfs/dbraw/zinc/51/76/59/415517659.db2.gz XUDBKGVQDBCWTI-IONNQARKSA-N -1 1 309.278 0.767 20 5 DCBDMM COC[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000280199521 415530938 /nfs/dbraw/zinc/53/09/38/415530938.db2.gz JIZCXWLKDQBIIE-QMMMGPOBSA-N -1 1 324.742 0.534 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-][C@]2(C)CCO[C@H]2C)c([N+](=O)[O-])n1 ZINC000343975617 415806609 /nfs/dbraw/zinc/80/66/09/415806609.db2.gz ITVIRLJVLPWHLK-GZMMTYOYSA-N -1 1 318.355 0.657 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CC[C@@H](F)C2)c([N+](=O)[O-])n1 ZINC000344956009 416014506 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/nfs/dbraw/zinc/69/85/77/606698577.db2.gz XAXHSGDVJHMIGV-UHFFFAOYSA-N -1 1 306.286 0.093 20 5 DCBDMM Cn1ccnc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822699390 606707683 /nfs/dbraw/zinc/70/76/83/606707683.db2.gz ZHTFDKHRRVVEBQ-UHFFFAOYSA-N -1 1 301.270 0.516 20 5 DCBDMM Cn1ccnc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822699390 606707684 /nfs/dbraw/zinc/70/76/84/606707684.db2.gz ZHTFDKHRRVVEBQ-UHFFFAOYSA-N -1 1 301.270 0.516 20 5 DCBDMM C[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000820778921 607160966 /nfs/dbraw/zinc/16/09/66/607160966.db2.gz YWVVQHCBYVWLIM-HTQZYQBOSA-N -1 1 305.298 0.784 20 5 DCBDMM C[C@@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000820778921 607160967 /nfs/dbraw/zinc/16/09/67/607160967.db2.gz YWVVQHCBYVWLIM-HTQZYQBOSA-N -1 1 305.298 0.784 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1cnccn1 ZINC000826497431 608416311 /nfs/dbraw/zinc/41/63/11/608416311.db2.gz HBLHNRUKLYIDRI-UHFFFAOYSA-N -1 1 313.281 0.615 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1cnccn1 ZINC000826497431 608416313 /nfs/dbraw/zinc/41/63/13/608416313.db2.gz HBLHNRUKLYIDRI-UHFFFAOYSA-N -1 1 313.281 0.615 20 5 DCBDMM CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000101573648 657588271 /nfs/dbraw/zinc/58/82/71/657588271.db2.gz YPSKJIKLBNTKEK-ZCFIWIBFSA-N -1 1 321.742 0.661 20 5 DCBDMM Cn1cc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cn1 ZINC000119637640 659677950 /nfs/dbraw/zinc/67/79/50/659677950.db2.gz OQUIBZQMNHXERQ-UHFFFAOYSA-N -1 1 302.337 0.868 20 5 DCBDMM COC(=O)C1=CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000863936560 667195042 /nfs/dbraw/zinc/19/50/42/667195042.db2.gz QHIPUWXIVZQSHX-MRVPVSSYSA-N -1 1 307.262 0.687 20 5 DCBDMM C[C@@H](CC(N)=O)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000742303923 667789051 /nfs/dbraw/zinc/78/90/51/667789051.db2.gz CDRUUFFUUCNYAD-LURJTMIESA-N -1 1 321.742 0.790 20 5 DCBDMM CCc1cc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])[nH]n1 ZINC000742299148 667789160 /nfs/dbraw/zinc/78/91/60/667789160.db2.gz LRUUNGSKQLBBMJ-UHFFFAOYSA-N -1 1 311.323 0.754 20 5 DCBDMM CC(Nc1ccc(F)c([N+](=O)[O-])c1)=C1C(=O)[N-]C(=S)NC1=O ZINC000009769945 668160084 /nfs/dbraw/zinc/16/00/84/668160084.db2.gz RHCLYPNTAKGFNT-UHFFFAOYSA-N -1 1 324.293 0.951 20 5 DCBDMM O=C(NC[C@H](O)c1cccnc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770657862 668704867 /nfs/dbraw/zinc/70/48/67/668704867.db2.gz OPODTQBSESEZMN-NSHDSACASA-N -1 1 304.262 0.554 20 5 DCBDMM CN(C(=O)COC(=O)c1cn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000805607562 668899686 /nfs/dbraw/zinc/89/96/86/668899686.db2.gz YAIBVHOWNBIIAT-UHFFFAOYSA-N -1 1 305.250 0.533 20 5 DCBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)NC[C@@H]1CCCO1 ZINC000780071388 668963196 /nfs/dbraw/zinc/96/31/96/668963196.db2.gz GMFVANNLNYLPOB-LBPRGKRZSA-N -1 1 324.289 0.752 20 5 DCBDMM NC(=O)C1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000128882083 669312665 /nfs/dbraw/zinc/31/26/65/669312665.db2.gz MQTIMSSTIFGVOJ-UHFFFAOYSA-N -1 1 319.726 0.544 20 5 DCBDMM C[C@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCOC1=O ZINC000810101750 670475993 /nfs/dbraw/zinc/47/59/93/670475993.db2.gz BSYYMAQRPNYGSC-VIFPVBQESA-N -1 1 306.321 0.640 20 5 DCBDMM CNC(=O)C[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848579900 670698048 /nfs/dbraw/zinc/69/80/48/670698048.db2.gz QRYOTDJGTUGSRQ-UHFFFAOYSA-N -1 1 303.221 0.429 20 5 DCBDMM O=C([O-])[C@@H]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000819280939 671108531 /nfs/dbraw/zinc/10/85/31/671108531.db2.gz IKYDKOYVROOZOH-LLVKDONJSA-N -1 1 319.317 0.890 20 5 DCBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(N)=O ZINC000101569718 671773648 /nfs/dbraw/zinc/77/36/48/671773648.db2.gz NGZUYCKWURUAMS-RXMQYKEDSA-N -1 1 307.715 0.400 20 5 DCBDMM O=C([N-]S(=O)(=O)Cc1cccc(Cl)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000842352717 672007595 /nfs/dbraw/zinc/00/75/95/672007595.db2.gz ZQNAEMCHNULDPU-NXEZZACHSA-N -1 1 318.738 0.951 20 5 DCBDMM O=C(NN1CC(=O)[N-]C1=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000843387312 672090310 /nfs/dbraw/zinc/09/03/10/672090310.db2.gz SVVMGTZZYLYFCX-UHFFFAOYSA-N -1 1 303.234 0.273 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NC[C@]1(O)CCOC1 ZINC001582804771 1166085647 /nfs/dbraw/zinc/08/56/47/1166085647.db2.gz LHLJNZYWEAKDRS-SNVBAGLBSA-N -1 1 312.311 0.400 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NC[C@]1(O)CCOC1 ZINC001582804771 1166085652 /nfs/dbraw/zinc/08/56/52/1166085652.db2.gz LHLJNZYWEAKDRS-SNVBAGLBSA-N -1 1 312.311 0.400 20 5 DCBDMM CC(=O)NCCN(C)c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001588864299 1166610237 /nfs/dbraw/zinc/61/02/37/1166610237.db2.gz COIQOUBSOIBVLK-UHFFFAOYSA-N -1 1 305.298 0.347 20 5 DCBDMM CC(=O)NCCN(C)c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001588864299 1166610241 /nfs/dbraw/zinc/61/02/41/1166610241.db2.gz COIQOUBSOIBVLK-UHFFFAOYSA-N -1 1 305.298 0.347 20 5 DCBDMM CC(C)(C)CNC(=O)Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001589129397 1166635967 /nfs/dbraw/zinc/63/59/67/1166635967.db2.gz RWCYVQHIDKSHRY-UHFFFAOYSA-N -1 1 308.302 0.134 20 5 DCBDMM CC(C)c1nnc(Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)o1 ZINC001589778556 1166686496 /nfs/dbraw/zinc/68/64/96/1166686496.db2.gz KNHONASNQJQHSM-UHFFFAOYSA-N -1 1 305.258 0.526 20 5 DCBDMM C[C@H](O)C(C)(C)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001589992902 1166741069 /nfs/dbraw/zinc/74/10/69/1166741069.db2.gz DXDXCCZBAOBLCE-ZETCQYMHSA-N -1 1 307.314 0.989 20 5 DCBDMM C[C@H](O)C(C)(C)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001589992902 1166741075 /nfs/dbraw/zinc/74/10/75/1166741075.db2.gz DXDXCCZBAOBLCE-ZETCQYMHSA-N -1 1 307.314 0.989 20 5 DCBDMM C[C@@H](O)C(C)(C)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001589992901 1166741444 /nfs/dbraw/zinc/74/14/44/1166741444.db2.gz DXDXCCZBAOBLCE-SSDOTTSWSA-N -1 1 307.314 0.989 20 5 DCBDMM C[C@@H](O)C(C)(C)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001589992901 1166741450 /nfs/dbraw/zinc/74/14/50/1166741450.db2.gz DXDXCCZBAOBLCE-SSDOTTSWSA-N -1 1 307.314 0.989 20 5 DCBDMM C[C@H](O)CCCNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001589998245 1166746639 /nfs/dbraw/zinc/74/66/39/1166746639.db2.gz IGWIZYUZECJTIA-ZETCQYMHSA-N -1 1 307.314 0.930 20 5 DCBDMM C[C@H](O)CCCNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001589998245 1166746646 /nfs/dbraw/zinc/74/66/46/1166746646.db2.gz IGWIZYUZECJTIA-ZETCQYMHSA-N -1 1 307.314 0.930 20 5 DCBDMM CC1(C)[C@H](O)C[C@@H]1Nc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590076567 1166769380 /nfs/dbraw/zinc/76/93/80/1166769380.db2.gz FIJLAGGDEBONPM-VHSXEESVSA-N -1 1 319.325 0.928 20 5 DCBDMM CC1(C)[C@H](O)C[C@@H]1Nc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590076567 1166769385 /nfs/dbraw/zinc/76/93/85/1166769385.db2.gz FIJLAGGDEBONPM-VHSXEESVSA-N -1 1 319.325 0.928 20 5 DCBDMM CCN(C)C(=O)CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001590676842 1166966383 /nfs/dbraw/zinc/96/63/83/1166966383.db2.gz MYMFBQGBOPKMQR-UHFFFAOYSA-N -1 1 305.298 0.665 20 5 DCBDMM CCN(C)C(=O)CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001590676842 1166966388 /nfs/dbraw/zinc/96/63/88/1166966388.db2.gz MYMFBQGBOPKMQR-UHFFFAOYSA-N -1 1 305.298 0.665 20 5 DCBDMM CCN1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1=O ZINC001590736668 1166994717 /nfs/dbraw/zinc/99/47/17/1166994717.db2.gz VBDXTHBJSRUGQP-UHFFFAOYSA-N -1 1 317.309 0.443 20 5 DCBDMM CN(C)C(=O)OCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591004588 1167073515 /nfs/dbraw/zinc/07/35/15/1167073515.db2.gz LZNRKFHDGNBDPN-UHFFFAOYSA-N -1 1 322.285 0.280 20 5 DCBDMM CN(C)C(=O)OCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591004588 1167073521 /nfs/dbraw/zinc/07/35/21/1167073521.db2.gz LZNRKFHDGNBDPN-UHFFFAOYSA-N -1 1 322.285 0.280 20 5 DCBDMM CN(C[C@@H](O)C1CC1)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591044440 1167093653 /nfs/dbraw/zinc/09/36/53/1167093653.db2.gz OQLIAWHGADDBKM-GFCCVEGCSA-N -1 1 304.310 0.982 20 5 DCBDMM CNC(=O)CCCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591206767 1167154806 /nfs/dbraw/zinc/15/48/06/1167154806.db2.gz ITKFUPXLGJSEEI-UHFFFAOYSA-N -1 1 305.298 0.713 20 5 DCBDMM CNC(=O)CCCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591206767 1167154810 /nfs/dbraw/zinc/15/48/10/1167154810.db2.gz ITKFUPXLGJSEEI-UHFFFAOYSA-N -1 1 305.298 0.713 20 5 DCBDMM COC(=O)[C@@H]1C[C@@H]1CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591280599 1167197394 /nfs/dbraw/zinc/19/73/94/1167197394.db2.gz CCVOKEJLRDUTEW-VXNVDRBHSA-N -1 1 318.293 0.996 20 5 DCBDMM COC(=O)[C@@H]1C[C@@H]1CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591280599 1167197399 /nfs/dbraw/zinc/19/73/99/1167197399.db2.gz CCVOKEJLRDUTEW-VXNVDRBHSA-N -1 1 318.293 0.996 20 5 DCBDMM CO[C@@H]1CCCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001591354388 1167230278 /nfs/dbraw/zinc/23/02/78/1167230278.db2.gz MLNUYXRSWVSISM-SECBINFHSA-N -1 1 319.325 0.972 20 5 DCBDMM CO[C@@H]1CCCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001591354388 1167230283 /nfs/dbraw/zinc/23/02/83/1167230283.db2.gz MLNUYXRSWVSISM-SECBINFHSA-N -1 1 319.325 0.972 20 5 DCBDMM CO[C@@H]1CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C[C@H]1O ZINC001591469776 1167301862 /nfs/dbraw/zinc/30/18/62/1167301862.db2.gz QDKKESIZPPMUNQ-RNFRBKRXSA-N -1 1 312.311 0.032 20 5 DCBDMM CO[C@@H]1CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C[C@H]1O ZINC001591469776 1167301867 /nfs/dbraw/zinc/30/18/67/1167301867.db2.gz QDKKESIZPPMUNQ-RNFRBKRXSA-N -1 1 312.311 0.032 20 5 DCBDMM COc1cc(Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)sn1 ZINC001591539709 1167328928 /nfs/dbraw/zinc/32/89/28/1167328928.db2.gz GMINFIUYCAKCPG-UHFFFAOYSA-N -1 1 308.283 0.485 20 5 DCBDMM O=C(Nc1n[nH]cc1-c1nn[n-]n1)c1c(F)cccc1[N+](=O)[O-] ZINC001593197854 1167735206 /nfs/dbraw/zinc/73/52/06/1167735206.db2.gz OYTYIHGUGAUCHP-UHFFFAOYSA-N -1 1 318.228 0.889 20 5 DCBDMM O=[N+]([O-])c1cc(N2CCC3(C2)OCCO3)ccc1-c1nn[n-]n1 ZINC001593470686 1167863642 /nfs/dbraw/zinc/86/36/42/1167863642.db2.gz HQIJQRAGPTZFQS-UHFFFAOYSA-N -1 1 318.293 0.728 20 5 DCBDMM O=[N+]([O-])c1cn(Cn2nnc3ccccc32)nc1-c1nn[n-]n1 ZINC001593486041 1167868157 /nfs/dbraw/zinc/86/81/57/1167868157.db2.gz JPNSOAGFAPLMIX-UHFFFAOYSA-N -1 1 312.253 0.222 20 5 DCBDMM 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/nfs/dbraw/zinc/79/23/18/416792318.db2.gz DVDMXOXNGIMTGP-UHFFFAOYSA-N -1 1 312.311 0.080 20 5 DCBDMM CC[C@@H](O)[C@H](CC)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000580523298 417707332 /nfs/dbraw/zinc/70/73/32/417707332.db2.gz GTCYWGMJOFDQGT-DTWKUNHWSA-N -1 1 303.340 0.818 20 5 DCBDMM CC[C@@H](O)[C@@H](CC)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000580523300 417708995 /nfs/dbraw/zinc/70/89/95/417708995.db2.gz GTCYWGMJOFDQGT-RKDXNWHRSA-N -1 1 303.340 0.818 20 5 DCBDMM CC(C)COC[C@H](O)CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445016548 271744528 /nfs/dbraw/zinc/74/45/28/271744528.db2.gz DXGOVGCYFIDCLM-SNVBAGLBSA-N -1 1 313.310 0.459 20 5 DCBDMM C[C@@]1(CO)CCC[C@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000535358055 287832511 /nfs/dbraw/zinc/83/25/11/287832511.db2.gz FCOBZXIRJSMUTR-PWSUYJOCSA-N -1 1 315.351 0.819 20 5 DCBDMM O=[N+]([O-])c1ccc(NCCN2CCOCC2)cc1-c1nn[n-]n1 ZINC000826498600 607449045 /nfs/dbraw/zinc/44/90/45/607449045.db2.gz CAQPHYRIHSOMLG-UHFFFAOYSA-N -1 1 319.325 0.519 20 5 DCBDMM COC[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCO1 ZINC000826153766 607451995 /nfs/dbraw/zinc/45/19/95/607451995.db2.gz ZFQRFYKMVNZJHG-JTQLQIEISA-N -1 1 320.309 0.627 20 5 DCBDMM COC[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCO1 ZINC000826153766 607451997 /nfs/dbraw/zinc/45/19/97/607451997.db2.gz ZFQRFYKMVNZJHG-JTQLQIEISA-N -1 1 320.309 0.627 20 5 DCBDMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000827374332 601103712 /nfs/dbraw/zinc/10/37/12/601103712.db2.gz GNODHAPFWALAHK-SNVBAGLBSA-N -1 1 324.337 0.554 20 5 DCBDMM CC(C)c1[nH]nc(C(=O)N2CCOC[C@@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC000827097558 604930278 /nfs/dbraw/zinc/93/02/78/604930278.db2.gz QVDFEWQIRFVRDW-SSDOTTSWSA-N -1 1 312.282 0.367 20 5 DCBDMM O=C([O-])[C@@H](O)C1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000833770866 605005448 /nfs/dbraw/zinc/00/54/48/605005448.db2.gz PUCHDYUCQSVBIF-KBPBESRZSA-N -1 1 324.333 0.786 20 5 DCBDMM COC[C@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC000821685001 606712526 /nfs/dbraw/zinc/71/25/26/606712526.db2.gz QSFLOXOTIJOKCT-MRVPVSSYSA-N -1 1 321.297 0.022 20 5 DCBDMM COC[C@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC000821685001 606712528 /nfs/dbraw/zinc/71/25/28/606712528.db2.gz QSFLOXOTIJOKCT-MRVPVSSYSA-N -1 1 321.297 0.022 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H](O)C(F)(F)F ZINC000823620044 607166253 /nfs/dbraw/zinc/16/62/53/607166253.db2.gz HGDSNEFZPPKQMR-YFKPBYRVSA-N -1 1 319.203 0.505 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H](O)C(F)(F)F ZINC000823620044 607166251 /nfs/dbraw/zinc/16/62/51/607166251.db2.gz HGDSNEFZPPKQMR-YFKPBYRVSA-N -1 1 319.203 0.505 20 5 DCBDMM CN(Cc1nccn1C)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000825999251 608391790 /nfs/dbraw/zinc/39/17/90/608391790.db2.gz SYNODNNFRPPAGH-UHFFFAOYSA-N -1 1 315.297 0.540 20 5 DCBDMM CN(Cc1nccn1C)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000825999251 608391792 /nfs/dbraw/zinc/39/17/92/608391792.db2.gz SYNODNNFRPPAGH-UHFFFAOYSA-N -1 1 315.297 0.540 20 5 DCBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000726864767 661678705 /nfs/dbraw/zinc/67/87/05/661678705.db2.gz JSPBWFDHBDQMCT-UHFFFAOYSA-N -1 1 318.289 0.782 20 5 DCBDMM CC(Nc1cccc([N+](=O)[O-])c1)=C1C(=O)[N-]C(=S)NC1=O ZINC000009770580 668160071 /nfs/dbraw/zinc/16/00/71/668160071.db2.gz QXTZEDFPEGEFIO-UHFFFAOYSA-N -1 1 306.303 0.812 20 5 DCBDMM Cn1[n-]c(COC(=O)CSc2ccc([N+](=O)[O-])cc2)nc1=O ZINC000765432631 668491049 /nfs/dbraw/zinc/49/10/49/668491049.db2.gz DXTBBEAILXIQEE-UHFFFAOYSA-N -1 1 324.318 0.852 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-]CCCCCCO)c([N+](=O)[O-])n1 ZINC000775734814 668867106 /nfs/dbraw/zinc/86/71/06/668867106.db2.gz BLCFBXBVZJPOEY-UHFFFAOYSA-N -1 1 320.371 0.642 20 5 DCBDMM COc1c(C(=O)[N-]N2CC(=O)N(C)C2=O)cccc1[N+](=O)[O-] ZINC000793757483 669741261 /nfs/dbraw/zinc/74/12/61/669741261.db2.gz CBZAHIOKXFGERZ-UHFFFAOYSA-N -1 1 308.250 0.142 20 5 DCBDMM O=C(N[C@@H](CCO)C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000854617381 670598421 /nfs/dbraw/zinc/59/84/21/670598421.db2.gz JBIXBXNPBVAPDS-ZETCQYMHSA-N -1 1 309.200 0.739 20 5 DCBDMM CC(C)CN(CC(N)=O)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001589619029 1166669167 /nfs/dbraw/zinc/66/91/67/1166669167.db2.gz CUFJTUDDJLJQOB-UHFFFAOYSA-N -1 1 319.325 0.723 20 5 DCBDMM C[C@@]12COC[C@@H]1CN(c1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])C2 ZINC001590154884 1166789870 /nfs/dbraw/zinc/78/98/70/1166789870.db2.gz CHOACYCFOGXXCQ-ISVAXAHUSA-N -1 1 317.309 0.643 20 5 DCBDMM C[C@@]12COC[C@@H]1CN(c1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])C2 ZINC001590154884 1166789875 /nfs/dbraw/zinc/78/98/75/1166789875.db2.gz CHOACYCFOGXXCQ-ISVAXAHUSA-N -1 1 317.309 0.643 20 5 DCBDMM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC[C@@H]1O ZINC001590316987 1166858943 /nfs/dbraw/zinc/85/89/43/1166858943.db2.gz WWGWSHQJMHEPNH-PELKAZGASA-N -1 1 304.310 0.982 20 5 DCBDMM C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC[C@@H]1O ZINC001590316987 1166858944 /nfs/dbraw/zinc/85/89/44/1166858944.db2.gz WWGWSHQJMHEPNH-PELKAZGASA-N -1 1 304.310 0.982 20 5 DCBDMM CN(C)C(=O)CCCCn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001591002410 1167070604 /nfs/dbraw/zinc/07/06/04/1167070604.db2.gz WAIUGKHRKWUPPK-UHFFFAOYSA-N -1 1 308.302 0.230 20 5 DCBDMM CN(CC(C)(CO)CO)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591043972 1167091375 /nfs/dbraw/zinc/09/13/75/1167091375.db2.gz FRJNWSRWOPRCEO-UHFFFAOYSA-N -1 1 322.325 0.202 20 5 DCBDMM CN(CC(C)(CO)CO)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591043972 1167091380 /nfs/dbraw/zinc/09/13/80/1167091380.db2.gz FRJNWSRWOPRCEO-UHFFFAOYSA-N -1 1 322.325 0.202 20 5 DCBDMM COCCOC1CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001591434982 1167286626 /nfs/dbraw/zinc/28/66/26/1167286626.db2.gz ZIIDQMVXRKPTBZ-UHFFFAOYSA-N -1 1 320.309 0.627 20 5 DCBDMM CO[C@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001591475273 1167306377 /nfs/dbraw/zinc/30/63/77/1167306377.db2.gz XCUZBAPFJBTTSM-FKQCQYRASA-N -1 1 305.298 0.946 20 5 DCBDMM CO[C@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001591475273 1167306383 /nfs/dbraw/zinc/30/63/83/1167306383.db2.gz XCUZBAPFJBTTSM-FKQCQYRASA-N -1 1 305.298 0.946 20 5 DCBDMM COc1cc(C)nc(Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)c1 ZINC001591521992 1167322801 /nfs/dbraw/zinc/32/28/01/1167322801.db2.gz GMHQDQNKMIBKDY-UHFFFAOYSA-N -1 1 316.281 0.732 20 5 DCBDMM Cc1cc(=O)[nH]c([C@H](C)n2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)n1 ZINC001592055802 1167446644 /nfs/dbraw/zinc/44/66/44/1167446644.db2.gz HAJDNZMAMKXNPK-LURJTMIESA-N -1 1 317.269 0.385 20 5 DCBDMM Cc1nn(C)cc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592436264 1167522112 /nfs/dbraw/zinc/52/21/12/1167522112.db2.gz VNBACNLXBQXWJJ-UHFFFAOYSA-N -1 1 315.297 0.824 20 5 DCBDMM Cc1nn(C)cc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592436264 1167522118 /nfs/dbraw/zinc/52/21/18/1167522118.db2.gz VNBACNLXBQXWJJ-UHFFFAOYSA-N -1 1 315.297 0.824 20 5 DCBDMM Cn1ncc(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)n1 ZINC001592601729 1167578389 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COC(=O)[C@H](C)N(C)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001604960247 1169765807 /nfs/dbraw/zinc/76/58/07/1169765807.db2.gz RXSRJAVUYDOJPR-ZETCQYMHSA-N -1 1 306.282 0.773 20 5 DCBDMM O=[N+]([O-])c1cn(CCn2cc(Cl)cn2)nc1-c1nn[n-]n1 ZINC001607086993 1170386903 /nfs/dbraw/zinc/38/69/03/1170386903.db2.gz XBUQVECDBPBQJM-UHFFFAOYSA-N -1 1 309.677 0.522 20 5 DCBDMM O=C([O-])[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccc(O)cc1 ZINC001608537130 1170698020 /nfs/dbraw/zinc/69/80/20/1170698020.db2.gz QMLWBJCSDOQIEW-YUSALJHKSA-N -1 1 308.290 0.417 20 5 DCBDMM O=C([O-])CNC(=O)Cc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001608754346 1170750589 /nfs/dbraw/zinc/75/05/89/1170750589.db2.gz ZANTYNUCEZCJQS-GHMZBOCLSA-N -1 1 321.289 0.034 20 5 DCBDMM C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)C(=O)NCCF ZINC001609126749 1170818018 /nfs/dbraw/zinc/81/80/18/1170818018.db2.gz HSUSXPAKQRXLAN-SSDOTTSWSA-N -1 1 323.288 0.661 20 5 DCBDMM C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)C(=O)NCCF ZINC001609126749 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323.305 0.715 20 5 DCBDMM NC(=O)Cn1cnc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)n1 ZINC000172997272 534377037 /nfs/dbraw/zinc/37/70/37/534377037.db2.gz ZSIYPITVKQNPAY-UHFFFAOYSA-N -1 1 320.312 0.820 20 5 DCBDMM COc1cc([N+](=O)[O-])ccc1C(=O)NC(C)(C)c1nn[n-]n1 ZINC000427856705 536885418 /nfs/dbraw/zinc/88/54/18/536885418.db2.gz OHLCLYJLERCKPP-UHFFFAOYSA-N -1 1 306.282 0.782 20 5 DCBDMM CCc1[nH]nc(C(=O)N2CCN(C(=O)[O-])[C@H](C)C2)c1[N+](=O)[O-] ZINC000827551449 603877449 /nfs/dbraw/zinc/87/74/49/603877449.db2.gz PMWKETJVUBFRLZ-SSDOTTSWSA-N -1 1 311.298 0.705 20 5 DCBDMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1ccccc1[N+](=O)[O-] ZINC000826425106 608013807 /nfs/dbraw/zinc/01/38/07/608013807.db2.gz PZHDPKKDFBTESG-UHFFFAOYSA-N -1 1 314.265 0.610 20 5 DCBDMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1ccccc1[N+](=O)[O-] ZINC000826425106 608013808 /nfs/dbraw/zinc/01/38/08/608013808.db2.gz PZHDPKKDFBTESG-UHFFFAOYSA-N -1 1 314.265 0.610 20 5 DCBDMM CCOc1cc(-n2cnc(-c3nn[n-]n3)n2)ccc1[N+](=O)[O-] ZINC000825615769 608172093 /nfs/dbraw/zinc/17/20/93/608172093.db2.gz KAZHDKGUONEGIZ-UHFFFAOYSA-N -1 1 302.254 0.754 20 5 DCBDMM Cn1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])n1 ZINC000826363260 608232834 /nfs/dbraw/zinc/23/28/34/608232834.db2.gz DZIAEOLYBOESBJ-UHFFFAOYSA-N -1 1 301.270 0.516 20 5 DCBDMM Cn1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1 ZINC000826363260 608232836 /nfs/dbraw/zinc/23/28/36/608232836.db2.gz DZIAEOLYBOESBJ-UHFFFAOYSA-N -1 1 301.270 0.516 20 5 DCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCOc1cccnc1 ZINC000742296972 658514902 /nfs/dbraw/zinc/51/49/02/658514902.db2.gz JJFICFJLAPSVCM-UHFFFAOYSA-N -1 1 324.318 0.742 20 5 DCBDMM COC[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000262921623 662599468 /nfs/dbraw/zinc/59/94/68/662599468.db2.gz JIYYWAHXWPWCAL-VIFPVBQESA-N -1 1 308.250 0.301 20 5 DCBDMM Cc1c(C(=O)Nc2nnn[n-]2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000135464184 667597017 /nfs/dbraw/zinc/59/70/17/667597017.db2.gz QZFFMUVMAXHWGT-UHFFFAOYSA-N -1 1 307.226 0.885 20 5 DCBDMM Cc1c(C(=O)Nc2nn[n-]n2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000135464184 667597020 /nfs/dbraw/zinc/59/70/20/667597020.db2.gz QZFFMUVMAXHWGT-UHFFFAOYSA-N -1 1 307.226 0.885 20 5 DCBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC2(CC1)OCCO2 ZINC000776327722 668875489 /nfs/dbraw/zinc/87/54/89/668875489.db2.gz LTBCFDCYSYBMAA-UHFFFAOYSA-N -1 1 309.278 0.675 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-]C[C@H]2CCC=CO2)c([N+](=O)[O-])n1 ZINC000780898641 669017616 /nfs/dbraw/zinc/01/76/16/669017616.db2.gz HMNDYFISOGJHOF-SECBINFHSA-N -1 1 316.339 0.782 20 5 DCBDMM CC(=O)N1C[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C[C@@H]2C1 ZINC000816743929 670856687 /nfs/dbraw/zinc/85/66/87/670856687.db2.gz NQFWRKJMMBRNRR-AOOOYVTPSA-N -1 1 320.305 0.246 20 5 DCBDMM CN(C(=O)CN1CC[C@@H](C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC000818363549 671008937 /nfs/dbraw/zinc/00/89/37/671008937.db2.gz HSXZDEOGDZQRIC-SNVBAGLBSA-N -1 1 307.306 0.964 20 5 DCBDMM CCn1nc(C)c(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000819599151 671128385 /nfs/dbraw/zinc/12/83/85/671128385.db2.gz GAIUDNBSUYQQFU-UHFFFAOYSA-N -1 1 306.282 0.545 20 5 DCBDMM CO[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000828054133 671543196 /nfs/dbraw/zinc/54/31/96/671543196.db2.gz UDKSUGJYHKSSQC-RKDXNWHRSA-N -1 1 320.298 0.426 20 5 DCBDMM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)[C@@H]1CC1[N+](=O)[O-] ZINC000842306043 672004858 /nfs/dbraw/zinc/00/48/58/672004858.db2.gz GGXKITRBJHATON-PHDIDXHHSA-N -1 1 321.292 0.126 20 5 DCBDMM COc1ccccc1CS(=O)(=O)[N-]C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842334932 672006227 /nfs/dbraw/zinc/00/62/27/672006227.db2.gz GEMXRRZGJIIKGV-NXEZZACHSA-N -1 1 314.319 0.306 20 5 DCBDMM Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC2[N+](=O)[O-])c(F)c1F ZINC000842366518 672009212 /nfs/dbraw/zinc/00/92/12/672009212.db2.gz LZLGTEFAQFRXAN-RNFRBKRXSA-N -1 1 320.273 0.743 20 5 DCBDMM COC[C@H](NC(=O)C=Cc1ccc([N+](=O)[O-])cc1)c1nn[n-]n1 ZINC001455744031 1159759963 /nfs/dbraw/zinc/75/99/63/1159759963.db2.gz XFKDGTHBXFQOGZ-IBHLPDHGSA-N -1 1 318.293 0.625 20 5 DCBDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cc([N+](=O)[O-])cn2C)n1 ZINC001581755092 1165870296 /nfs/dbraw/zinc/87/02/96/1165870296.db2.gz YMXWBNBPNQDXSW-UHFFFAOYSA-N -1 1 317.269 0.099 20 5 DCBDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cc([N+](=O)[O-])cn2C)n1 ZINC001581755092 1165870302 /nfs/dbraw/zinc/87/03/02/1165870302.db2.gz YMXWBNBPNQDXSW-UHFFFAOYSA-N -1 1 317.269 0.099 20 5 DCBDMM CC(C)[C@@H](O)CNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001589479989 1166661890 /nfs/dbraw/zinc/66/18/90/1166661890.db2.gz IIJYSQVLAXYSMD-JTQLQIEISA-N -1 1 307.314 0.786 20 5 DCBDMM CC(C)[C@@H](O)CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001589479989 1166661893 /nfs/dbraw/zinc/66/18/93/1166661893.db2.gz IIJYSQVLAXYSMD-JTQLQIEISA-N -1 1 307.314 0.786 20 5 DCBDMM C[C@@H]1CCNC(=O)[C@@H]1Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590279269 1166839958 /nfs/dbraw/zinc/83/99/58/1166839958.db2.gz YNTAIICRCKVGIG-RDDDGLTNSA-N -1 1 317.309 0.711 20 5 DCBDMM C[C@H]1CCNC(=O)[C@@H]1Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590279271 1166840895 /nfs/dbraw/zinc/84/08/95/1166840895.db2.gz YNTAIICRCKVGIG-WRWORJQWSA-N -1 1 317.309 0.711 20 5 DCBDMM C[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCC1=O ZINC001590317928 1166861694 /nfs/dbraw/zinc/86/16/94/1166861694.db2.gz MASXFECRSPFURM-SSDOTTSWSA-N -1 1 303.282 0.585 20 5 DCBDMM C[C@@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCC1=O ZINC001590317928 1166861702 /nfs/dbraw/zinc/86/17/02/1166861702.db2.gz MASXFECRSPFURM-SSDOTTSWSA-N -1 1 303.282 0.585 20 5 DCBDMM CCC[C@@H](O)CNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590560136 1166944641 /nfs/dbraw/zinc/94/46/41/1166944641.db2.gz MIGVSIIMBCLNKF-MRVPVSSYSA-N -1 1 307.314 0.930 20 5 DCBDMM CCC[C@@H](O)CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590560136 1166944692 /nfs/dbraw/zinc/94/46/92/1166944692.db2.gz MIGVSIIMBCLNKF-MRVPVSSYSA-N -1 1 307.314 0.930 20 5 DCBDMM CCCNC(=O)CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590637686 1166957238 /nfs/dbraw/zinc/95/72/38/1166957238.db2.gz CCOWGPPTYSZNDB-UHFFFAOYSA-N -1 1 305.298 0.713 20 5 DCBDMM COC(=O)NC1CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001591273600 1167194559 /nfs/dbraw/zinc/19/45/59/1167194559.db2.gz VBOFTESWIOVUCW-UHFFFAOYSA-N -1 1 319.281 0.320 20 5 DCBDMM COC(=O)NC1CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001591273600 1167194563 /nfs/dbraw/zinc/19/45/63/1167194563.db2.gz VBOFTESWIOVUCW-UHFFFAOYSA-N -1 1 319.281 0.320 20 5 DCBDMM COC[C@](C)(O)CCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591371271 1167244606 /nfs/dbraw/zinc/24/46/06/1167244606.db2.gz OHDPIWCOIZRPDT-CYBMUJFWSA-N -1 1 322.325 0.974 20 5 DCBDMM COC[C@](C)(O)CCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591371271 1167244612 /nfs/dbraw/zinc/24/46/12/1167244612.db2.gz OHDPIWCOIZRPDT-CYBMUJFWSA-N -1 1 322.325 0.974 20 5 DCBDMM COCCOCCNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591440729 1167289341 /nfs/dbraw/zinc/28/93/41/1167289341.db2.gz SRYAFVBCIJXADJ-UHFFFAOYSA-N -1 1 323.313 0.432 20 5 DCBDMM COCCOCCNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591440729 1167289345 /nfs/dbraw/zinc/28/93/45/1167289345.db2.gz SRYAFVBCIJXADJ-UHFFFAOYSA-N -1 1 323.313 0.432 20 5 DCBDMM C[C@H]1C[C@@H](O)CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001591774817 1167373657 /nfs/dbraw/zinc/37/36/57/1167373657.db2.gz PIXQIZRBEOXODK-DTWKUNHWSA-N -1 1 304.310 0.982 20 5 DCBDMM C[C@H]1C[C@@H](O)CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001591774817 1167373660 /nfs/dbraw/zinc/37/36/60/1167373660.db2.gz PIXQIZRBEOXODK-DTWKUNHWSA-N -1 1 304.310 0.982 20 5 DCBDMM Cc1cc(N2CCNC(=O)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592007436 1167434233 /nfs/dbraw/zinc/43/42/33/1167434233.db2.gz OXANRJOPLLQOCI-UHFFFAOYSA-N -1 1 303.282 0.020 20 5 DCBDMM Cc1cc(N2CCNC(=O)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592007436 1167434237 /nfs/dbraw/zinc/43/42/37/1167434237.db2.gz OXANRJOPLLQOCI-UHFFFAOYSA-N -1 1 303.282 0.020 20 5 DCBDMM Cc1cc(=O)[nH]c([C@@H](C)n2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)n1 ZINC001592055804 1167445771 /nfs/dbraw/zinc/44/57/71/1167445771.db2.gz HAJDNZMAMKXNPK-ZCFIWIBFSA-N -1 1 317.269 0.385 20 5 DCBDMM Cc1ccc([N+](=O)[O-])c(NCCn2cnc(-c3nn[n-]n3)n2)n1 ZINC001592197836 1167474859 /nfs/dbraw/zinc/47/48/59/1167474859.db2.gz RPHXXIHSFAOXKZ-UHFFFAOYSA-N -1 1 316.285 0.182 20 5 DCBDMM O=C1C[C@H](CCNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CN1 ZINC001593386775 1167798055 /nfs/dbraw/zinc/79/80/55/1167798055.db2.gz ZQNZGOQCKWKRIP-QMMMGPOBSA-N -1 1 317.309 0.713 20 5 DCBDMM O=C1C[C@H](CCNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CN1 ZINC001593386775 1167798063 /nfs/dbraw/zinc/79/80/63/1167798063.db2.gz ZQNZGOQCKWKRIP-QMMMGPOBSA-N -1 1 317.309 0.713 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCC1(O)CCC1 ZINC001593465290 1167852801 /nfs/dbraw/zinc/85/28/01/1167852801.db2.gz KQAUAQBQDDQKMF-UHFFFAOYSA-N -1 1 305.298 0.887 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCC1(O)CCC1 ZINC001593465290 1167852809 /nfs/dbraw/zinc/85/28/09/1167852809.db2.gz KQAUAQBQDDQKMF-UHFFFAOYSA-N -1 1 305.298 0.887 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CC12CC(O)C2 ZINC001593466528 1167856926 /nfs/dbraw/zinc/85/69/26/1167856926.db2.gz RNXPBEAPNLERMG-BCIJWEBZSA-N -1 1 303.282 0.495 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1CC12CC(O)C2 ZINC001593466528 1167856935 /nfs/dbraw/zinc/85/69/35/1167856935.db2.gz RNXPBEAPNLERMG-BCIJWEBZSA-N -1 1 303.282 0.495 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CC[C@](F)(CO)C1 ZINC001593466281 1167857653 /nfs/dbraw/zinc/85/76/53/1167857653.db2.gz HBPIMTSWARLROE-GFCCVEGCSA-N -1 1 308.273 0.686 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CC[C@](F)(CO)C1 ZINC001593466281 1167857669 /nfs/dbraw/zinc/85/76/69/1167857669.db2.gz HBPIMTSWARLROE-GFCCVEGCSA-N -1 1 308.273 0.686 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@@](F)(CO)C1 ZINC001593466270 1167859210 /nfs/dbraw/zinc/85/92/10/1167859210.db2.gz PMPXVNYRRQNAHX-NSHDSACASA-N -1 1 309.261 0.081 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@@](F)(CO)C1 ZINC001593466270 1167859229 /nfs/dbraw/zinc/85/92/29/1167859229.db2.gz PMPXVNYRRQNAHX-NSHDSACASA-N -1 1 309.261 0.081 20 5 DCBDMM O=c1c(-c2nn[n-]n2)cncn1Cc1c(F)cccc1[N+](=O)[O-] ZINC001593494712 1167877042 /nfs/dbraw/zinc/87/70/42/1167877042.db2.gz PXCJTJIJXWCGEN-UHFFFAOYSA-N -1 1 317.240 0.519 20 5 DCBDMM CS(C)(=O)=NCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001596966474 1167999551 /nfs/dbraw/zinc/99/95/51/1167999551.db2.gz AOMMQJUWPOTMSZ-UHFFFAOYSA-N -1 1 302.312 0.153 20 5 DCBDMM CC(C)COC(=O)N(C)Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001603297901 1169289065 /nfs/dbraw/zinc/28/90/65/1169289065.db2.gz ILYPYLOWEMUTBS-UHFFFAOYSA-N -1 1 324.301 0.653 20 5 DCBDMM CC1(C)CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC[C@H]1O ZINC001603788029 1169392162 /nfs/dbraw/zinc/39/21/62/1169392162.db2.gz QNYJWOLAGRIABU-SECBINFHSA-N -1 1 319.325 0.767 20 5 DCBDMM CC1(C)CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC[C@H]1O ZINC001603788029 1169392171 /nfs/dbraw/zinc/39/21/71/1169392171.db2.gz QNYJWOLAGRIABU-SECBINFHSA-N -1 1 319.325 0.767 20 5 DCBDMM C[C@H](N[C@H]1CCO[C@H]1C(=O)[O-])C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001604363566 1169569449 /nfs/dbraw/zinc/56/94/49/1169569449.db2.gz JNKHMTXFCMYFLP-KPXOXKRLSA-N -1 1 323.305 0.754 20 5 DCBDMM Cc1cc(N2CC(=O)N[C@H](C)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605688932 1169985907 /nfs/dbraw/zinc/98/59/07/1169985907.db2.gz HBLHTRAISGLPMR-MRVPVSSYSA-N -1 1 317.309 0.408 20 5 DCBDMM Cc1cc(N2CC(=O)N[C@H](C)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605688932 1169985913 /nfs/dbraw/zinc/98/59/13/1169985913.db2.gz HBLHTRAISGLPMR-MRVPVSSYSA-N -1 1 317.309 0.408 20 5 DCBDMM Cc1cc(N2CCS(=O)CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605698327 1169987018 /nfs/dbraw/zinc/98/70/18/1169987018.db2.gz XMQKOBFYXWJFBY-UHFFFAOYSA-N -1 1 322.350 0.652 20 5 DCBDMM Cc1cc(N2CCS(=O)CC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605698327 1169987019 /nfs/dbraw/zinc/98/70/19/1169987019.db2.gz XMQKOBFYXWJFBY-UHFFFAOYSA-N -1 1 322.350 0.652 20 5 DCBDMM COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(CC(=O)[O-])CC2)c1 ZINC001606606181 1170242437 /nfs/dbraw/zinc/24/24/37/1170242437.db2.gz WGHIGQFHKBNBMQ-UHFFFAOYSA-N -1 1 323.305 0.588 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H](O)[C@@H]1CCCO1 ZINC001607077562 1170381387 /nfs/dbraw/zinc/38/13/87/1170381387.db2.gz ZGDLPCAECJMBCI-BDAKNGLRSA-N -1 1 321.297 0.122 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H](O)[C@@H]1CCCO1 ZINC001607077562 1170381395 /nfs/dbraw/zinc/38/13/95/1170381395.db2.gz ZGDLPCAECJMBCI-BDAKNGLRSA-N -1 1 321.297 0.122 20 5 DCBDMM CCNC(=O)CN(C)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001609229352 1170884683 /nfs/dbraw/zinc/88/46/83/1170884683.db2.gz VXSDXMIMIUMPCX-UHFFFAOYSA-N -1 1 305.298 0.347 20 5 DCBDMM CCNC(=O)CN(C)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001609229352 1170884692 /nfs/dbraw/zinc/88/46/92/1170884692.db2.gz VXSDXMIMIUMPCX-UHFFFAOYSA-N -1 1 305.298 0.347 20 5 DCBDMM COCC(COC)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001609317539 1170932289 /nfs/dbraw/zinc/93/22/89/1170932289.db2.gz MPRCERJRHLVUDR-UHFFFAOYSA-N -1 1 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/nfs/dbraw/zinc/70/97/72/606709772.db2.gz JRUYADUOHOZBJA-UHFFFAOYSA-N -1 1 315.297 0.503 20 5 DCBDMM CN(CCn1cccn1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821607315 606709774 /nfs/dbraw/zinc/70/97/74/606709774.db2.gz JRUYADUOHOZBJA-UHFFFAOYSA-N -1 1 315.297 0.503 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCn1ccnn1 ZINC000826497332 609599974 /nfs/dbraw/zinc/59/99/74/609599974.db2.gz CYAWEBMNNHQVNS-UHFFFAOYSA-N -1 1 316.285 0.264 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCCn1ccnn1 ZINC000826497332 609599975 /nfs/dbraw/zinc/59/99/75/609599975.db2.gz CYAWEBMNNHQVNS-UHFFFAOYSA-N -1 1 316.285 0.264 20 5 DCBDMM C[C@H](CC(N)=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000135103557 667570074 /nfs/dbraw/zinc/57/00/74/667570074.db2.gz XRTNLVJOJZEZIG-ZCFIWIBFSA-N -1 1 305.287 0.276 20 5 DCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCNc1ncccn1 ZINC000742283230 667787972 /nfs/dbraw/zinc/78/79/72/667787972.db2.gz XJIBTHNDVCBVIS-UHFFFAOYSA-N -1 1 324.322 0.170 20 5 DCBDMM CC(C)OC(=O)C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000742293331 667788399 /nfs/dbraw/zinc/78/83/99/667788399.db2.gz NXBKGVVHNSPHQZ-UHFFFAOYSA-N -1 1 303.296 0.220 20 5 DCBDMM O=C(NC[C@@H](O)c1ccncc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770655677 668705005 /nfs/dbraw/zinc/70/50/05/668705005.db2.gz GWHXGSLHSBJRBU-LLVKDONJSA-N -1 1 304.262 0.554 20 5 DCBDMM O=C(c1ccc([N+](=O)[O-])o1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000776562507 668877783 /nfs/dbraw/zinc/87/77/83/668877783.db2.gz DTPNONLJHMQCKI-LURJTMIESA-N -1 1 310.295 0.631 20 5 DCBDMM O=C(OCCN1C(=O)CNC1=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780071004 668963760 /nfs/dbraw/zinc/96/37/60/668963760.db2.gz BMFIFZXUHKVBIA-UHFFFAOYSA-N -1 1 309.234 0.009 20 5 DCBDMM C[C@H]1CN(C(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCO1 ZINC000780074514 668964947 /nfs/dbraw/zinc/96/49/47/668964947.db2.gz FPFZATUZGWJDFG-VIFPVBQESA-N -1 1 324.289 0.705 20 5 DCBDMM COc1ccc(C(=O)[N-]C(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000077931934 669936495 /nfs/dbraw/zinc/93/64/95/669936495.db2.gz YARCVAFKYRVERP-UHFFFAOYSA-N -1 1 304.262 0.757 20 5 DCBDMM CC1(C)COC(=O)[C@@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000841534592 671940279 /nfs/dbraw/zinc/94/02/79/671940279.db2.gz KHAFXSNBAMPBON-QMMMGPOBSA-N -1 1 315.307 0.220 20 5 DCBDMM Cn1cnnc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119453415 685117088 /nfs/dbraw/zinc/11/70/88/685117088.db2.gz KLDZWEVCURQBIN-UHFFFAOYSA-N -1 1 303.325 0.263 20 5 DCBDMM CN(Cc1nnc2n1CCC2)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001588044213 1166515580 /nfs/dbraw/zinc/51/55/80/1166515580.db2.gz MRJNQZSMLHGADH-UHFFFAOYSA-N -1 1 318.293 0.505 20 5 DCBDMM CC1(CCCCn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)OCCO1 ZINC001590125884 1166781147 /nfs/dbraw/zinc/78/11/47/1166781147.db2.gz WVXJFXKPANBQAX-UHFFFAOYSA-N -1 1 323.313 0.905 20 5 DCBDMM CC1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[n-]n2)CC1 ZINC001590149548 1166789150 /nfs/dbraw/zinc/78/91/50/1166789150.db2.gz TUFNJUSDTLYRQU-UHFFFAOYSA-N -1 1 324.322 0.606 20 5 DCBDMM CCCCNC(=O)[C@@H](C)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001590602590 1166949001 /nfs/dbraw/zinc/94/90/01/1166949001.db2.gz QGLUYHGKRPOXOX-SSDOTTSWSA-N -1 1 308.302 0.449 20 5 DCBDMM CN(C)C(=O)CSc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591004070 1167073625 /nfs/dbraw/zinc/07/36/25/1167073625.db2.gz QGQCYQMMPKDBSX-UHFFFAOYSA-N -1 1 308.323 0.955 20 5 DCBDMM CN(C)C(=O)CSc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591004070 1167073628 /nfs/dbraw/zinc/07/36/28/1167073628.db2.gz QGQCYQMMPKDBSX-UHFFFAOYSA-N -1 1 308.323 0.955 20 5 DCBDMM COC(=O)[C@@H]1C[C@@H]1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591281435 1167197608 /nfs/dbraw/zinc/19/76/08/1167197608.db2.gz ZJXURAJVAGHPLA-HTRCEHHLSA-N -1 1 319.281 0.391 20 5 DCBDMM COC(=O)[C@@H]1C[C@@H]1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591281435 1167197617 /nfs/dbraw/zinc/19/76/17/1167197617.db2.gz ZJXURAJVAGHPLA-HTRCEHHLSA-N -1 1 319.281 0.391 20 5 DCBDMM CO[C@H]1CC[C@@H]1N(C)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591353008 1167230329 /nfs/dbraw/zinc/23/03/29/1167230329.db2.gz FAPQFXGNTXVYOB-IUCAKERBSA-N -1 1 305.298 0.784 20 5 DCBDMM CO[C@H]1CC[C@@H]1N(C)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591353008 1167230337 /nfs/dbraw/zinc/23/03/37/1167230337.db2.gz FAPQFXGNTXVYOB-IUCAKERBSA-N -1 1 305.298 0.784 20 5 DCBDMM Cc1c(-c2nnn[n-]2)c(NC(=O)CCC(C)(C)[N+](=O)[O-])nn1C ZINC001591798478 1167384138 /nfs/dbraw/zinc/38/41/38/1167384138.db2.gz KIOSGXFJXMFXDK-UHFFFAOYSA-N -1 1 322.329 0.683 20 5 DCBDMM Cc1c(-c2nn[n-]n2)c(NC(=O)CCC(C)(C)[N+](=O)[O-])nn1C ZINC001591798478 1167384145 /nfs/dbraw/zinc/38/41/45/1167384145.db2.gz KIOSGXFJXMFXDK-UHFFFAOYSA-N -1 1 322.329 0.683 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1CC12CC(O)C2 ZINC001593466530 1167858935 /nfs/dbraw/zinc/85/89/35/1167858935.db2.gz RNXPBEAPNLERMG-XMDDQKSNSA-N -1 1 303.282 0.495 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1CC12CC(O)C2 ZINC001593466530 1167858940 /nfs/dbraw/zinc/85/89/40/1167858940.db2.gz RNXPBEAPNLERMG-XMDDQKSNSA-N -1 1 303.282 0.495 20 5 DCBDMM O=C(NCc1cnc2n1CCC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001595774079 1167977940 /nfs/dbraw/zinc/97/79/40/1167977940.db2.gz VXXPUPSXAPIQHT-UHFFFAOYSA-N -1 1 303.278 0.768 20 5 DCBDMM O=C([O-])[C@@]1(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CCSC1 ZINC001601431812 1168745497 /nfs/dbraw/zinc/74/54/97/1168745497.db2.gz TYAFDOQWADMIOX-GFCCVEGCSA-N -1 1 312.303 0.991 20 5 DCBDMM O=C([O-])[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC001601665397 1168810078 /nfs/dbraw/zinc/81/00/78/1168810078.db2.gz VKUWLWHMHWLPMO-CKYFFXLPSA-N -1 1 306.274 0.529 20 5 DCBDMM O=C([O-])C1([C@]2(O)CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CCC1 ZINC001602622259 1169132040 /nfs/dbraw/zinc/13/20/40/1169132040.db2.gz VGRSWJPXLLENGQ-RULNRJAQSA-N -1 1 312.322 0.260 20 5 DCBDMM CC[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@H]1O ZINC001604111748 1169494548 /nfs/dbraw/zinc/49/45/48/1169494548.db2.gz JOTBDESNZKGQHC-RDDDGLTNSA-N -1 1 319.325 0.564 20 5 DCBDMM CC[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@H]1O ZINC001604111748 1169494556 /nfs/dbraw/zinc/49/45/56/1169494556.db2.gz JOTBDESNZKGQHC-RDDDGLTNSA-N -1 1 319.325 0.564 20 5 DCBDMM CN(C)C(=O)CSc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001604668059 1169647271 /nfs/dbraw/zinc/64/72/71/1169647271.db2.gz BHUATWABQDFXNW-UHFFFAOYSA-N -1 1 309.311 0.350 20 5 DCBDMM COC(=O)[C@@H]1CCCN1c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001604958535 1169762271 /nfs/dbraw/zinc/76/22/71/1169762271.db2.gz XMWGBPQSGDFETI-LURJTMIESA-N -1 1 324.322 0.978 20 5 DCBDMM COC(=O)[C@@H]1CCCN1c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001604958535 1169762275 /nfs/dbraw/zinc/76/22/75/1169762275.db2.gz XMWGBPQSGDFETI-LURJTMIESA-N -1 1 324.322 0.978 20 5 DCBDMM O=C(CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)N1CCCC1 ZINC001606558123 1170233946 /nfs/dbraw/zinc/23/39/46/1170233946.db2.gz VSMLUIIFVDMZFY-UHFFFAOYSA-N -1 1 317.309 0.809 20 5 DCBDMM O=C(CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)N1CCCC1 ZINC001606558123 1170233953 /nfs/dbraw/zinc/23/39/53/1170233953.db2.gz VSMLUIIFVDMZFY-UHFFFAOYSA-N -1 1 317.309 0.809 20 5 DCBDMM COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H]2CCO[C@H]2C(=O)[O-])c1 ZINC001606606068 1170242400 /nfs/dbraw/zinc/24/24/00/1170242400.db2.gz UBGSNDMLSYJLBA-CMPLNLGQSA-N -1 1 324.289 0.713 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC[C@@H](O)C1CC1 ZINC001607077419 1170382515 /nfs/dbraw/zinc/38/25/15/1170382515.db2.gz TXTHBQXUBVIRIB-SECBINFHSA-N -1 1 305.298 0.743 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC[C@@H](O)C1CC1 ZINC001607077419 1170382520 /nfs/dbraw/zinc/38/25/20/1170382520.db2.gz TXTHBQXUBVIRIB-SECBINFHSA-N -1 1 305.298 0.743 20 5 DCBDMM C[C@](O)(CNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1)C1CC1 ZINC001609127604 1170820699 /nfs/dbraw/zinc/82/06/99/1170820699.db2.gz NXVJCDFNGZXMAP-ZDUSSCGKSA-N -1 1 319.325 0.930 20 5 DCBDMM C[C@](O)(CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1)C1CC1 ZINC001609127604 1170820704 /nfs/dbraw/zinc/82/07/04/1170820704.db2.gz NXVJCDFNGZXMAP-ZDUSSCGKSA-N -1 1 319.325 0.930 20 5 DCBDMM CN(C[C@@H](O)C1CC1)c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609272877 1170904773 /nfs/dbraw/zinc/90/47/73/1170904773.db2.gz FNRRLNKYALSLMJ-LLVKDONJSA-N -1 1 304.310 0.982 20 5 DCBDMM CN(C[C@@H](O)C1CC1)c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609272877 1170904777 /nfs/dbraw/zinc/90/47/77/1170904777.db2.gz FNRRLNKYALSLMJ-LLVKDONJSA-N -1 1 304.310 0.982 20 5 DCBDMM CNC(=O)CCN(C)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609288103 1170915845 /nfs/dbraw/zinc/91/58/45/1170915845.db2.gz WDMWHYXGNJJPEC-UHFFFAOYSA-N -1 1 305.298 0.347 20 5 DCBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCc3n[nH]nc3C2)c1 ZINC001610841960 1171337915 /nfs/dbraw/zinc/33/79/15/1171337915.db2.gz NLENIHPZJCTXDT-UHFFFAOYSA-N -1 1 303.278 0.969 20 5 DCBDMM C[C@H]1C(=O)N([N-]C(=O)c2cccc([N+](=O)[O-])c2O)C(=O)N1C ZINC001640915048 1171897728 /nfs/dbraw/zinc/89/77/28/1171897728.db2.gz ZBVPDKAUMCSDDE-LURJTMIESA-N -1 1 308.250 0.228 20 5 DCBDMM O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001644300579 1172003896 /nfs/dbraw/zinc/00/38/96/1172003896.db2.gz ZXVMYKQAFAVFKD-SNVBAGLBSA-N -1 1 302.294 0.667 20 5 DCBDMM O=C(N[C@H](CO)C[C@@H]1CCCO1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001644831882 1172021792 /nfs/dbraw/zinc/02/17/92/1172021792.db2.gz ZZDSYOIUTXMCDE-UWVGGRQHSA-N -1 1 311.294 0.355 20 5 DCBDMM Cc1nnsc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001664181400 1174406228 /nfs/dbraw/zinc/40/62/28/1174406228.db2.gz CKIOHQRBRLNTNV-UHFFFAOYSA-N -1 1 315.336 0.628 20 5 DCBDMM CON(C)CC[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001664401830 1174429733 /nfs/dbraw/zinc/42/97/33/1174429733.db2.gz JMJBOMKVOAAXFR-UHFFFAOYSA-N -1 1 321.330 0.814 20 5 DCBDMM C[C@@H](O)C(C)(C)C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC001665950045 1174576225 /nfs/dbraw/zinc/57/62/25/1174576225.db2.gz JAKUXFVXADVKKM-MRVPVSSYSA-N -1 1 303.340 0.675 20 5 DCBDMM Cc1ncc(CN)c(=N)n1-c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001167677446 747534091 /nfs/dbraw/zinc/53/40/91/747534091.db2.gz 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O=C1C[C@H](CCNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CN1 ZINC001582759392 1166076803 /nfs/dbraw/zinc/07/68/03/1166076803.db2.gz BELYNMQGQFHFHM-LURJTMIESA-N -1 1 323.338 0.775 20 5 DCBDMM O=C1C[C@H](CCNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CN1 ZINC001582759392 1166076805 /nfs/dbraw/zinc/07/68/05/1166076805.db2.gz BELYNMQGQFHFHM-LURJTMIESA-N -1 1 323.338 0.775 20 5 DCBDMM CC1(C)CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C[C@@H]1O ZINC001590105691 1166773348 /nfs/dbraw/zinc/77/33/48/1166773348.db2.gz HYPSMVSLMNLIFO-NSHDSACASA-N -1 1 304.310 0.982 20 5 DCBDMM CC[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@H]1O ZINC001590522549 1166933011 /nfs/dbraw/zinc/93/30/11/1166933011.db2.gz RDFQYLLEMYQJCD-QPUJVOFHSA-N -1 1 304.310 0.982 20 5 DCBDMM CC[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@H]1O ZINC001590522549 1166933013 /nfs/dbraw/zinc/93/30/13/1166933013.db2.gz RDFQYLLEMYQJCD-QPUJVOFHSA-N -1 1 304.310 0.982 20 5 DCBDMM CN(c1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1)[C@@H]1CCCOC1 ZINC001591154613 1167118462 /nfs/dbraw/zinc/11/84/62/1167118462.db2.gz BFJDEBIECOPING-MRVPVSSYSA-N -1 1 319.325 0.972 20 5 DCBDMM CN(c1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1)[C@@H]1CCCOC1 ZINC001591154613 1167118467 /nfs/dbraw/zinc/11/84/67/1167118467.db2.gz BFJDEBIECOPING-MRVPVSSYSA-N -1 1 319.325 0.972 20 5 DCBDMM COC[C@@](C)(O)CCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591371272 1167245247 /nfs/dbraw/zinc/24/52/47/1167245247.db2.gz OHDPIWCOIZRPDT-ZDUSSCGKSA-N -1 1 322.325 0.974 20 5 DCBDMM COC[C@@](C)(O)CCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591371272 1167245253 /nfs/dbraw/zinc/24/52/53/1167245253.db2.gz OHDPIWCOIZRPDT-ZDUSSCGKSA-N -1 1 322.325 0.974 20 5 DCBDMM CON(C)C(=O)CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591462736 1167295977 /nfs/dbraw/zinc/29/59/77/1167295977.db2.gz MGDDDCCWVRIUBR-UHFFFAOYSA-N -1 1 307.270 0.207 20 5 DCBDMM CON(C)C(=O)CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591462736 1167295981 /nfs/dbraw/zinc/29/59/81/1167295981.db2.gz MGDDDCCWVRIUBR-UHFFFAOYSA-N -1 1 307.270 0.207 20 5 DCBDMM CO[C@@H]1COC[C@H]1Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591472417 1167303509 /nfs/dbraw/zinc/30/35/09/1167303509.db2.gz UHRHCOPLLPVVCR-MWLCHTKSSA-N -1 1 306.282 0.601 20 5 DCBDMM CO[C@@H]1COC[C@H]1Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591472417 1167303512 /nfs/dbraw/zinc/30/35/12/1167303512.db2.gz UHRHCOPLLPVVCR-MWLCHTKSSA-N -1 1 306.282 0.601 20 5 DCBDMM Cn1cc(COc2ccc(F)nc2-c2nnn[n-]2)c([N+](=O)[O-])n1 ZINC001592572901 1167565726 /nfs/dbraw/zinc/56/57/26/1167565726.db2.gz WZVGETXYKWSDCL-UHFFFAOYSA-N -1 1 320.244 0.622 20 5 DCBDMM Cn1cc(COc2ccc(F)nc2-c2nn[n-]n2)c([N+](=O)[O-])n1 ZINC001592572901 1167565732 /nfs/dbraw/zinc/56/57/32/1167565732.db2.gz WZVGETXYKWSDCL-UHFFFAOYSA-N -1 1 320.244 0.622 20 5 DCBDMM NC(=O)CC1CC(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001592724497 1167614306 /nfs/dbraw/zinc/61/43/06/1167614306.db2.gz MGWFGWKRSMJZAZ-UHFFFAOYSA-N -1 1 318.297 0.236 20 5 DCBDMM NC(=O)CC1CC(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001592724497 1167614310 /nfs/dbraw/zinc/61/43/10/1167614310.db2.gz MGWFGWKRSMJZAZ-UHFFFAOYSA-N -1 1 318.297 0.236 20 5 DCBDMM NC(=O)CC1CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC001592726610 1167615887 /nfs/dbraw/zinc/61/58/87/1167615887.db2.gz ZBAMLHDSWHIYBK-UHFFFAOYSA-N -1 1 303.282 0.087 20 5 DCBDMM O=[N+]([O-])c1ccc(-c2nnn[n-]2)c(S(=O)(=O)N2CCCC2)c1 ZINC001593473952 1167863956 /nfs/dbraw/zinc/86/39/56/1167863956.db2.gz ISNQSWUFBTUHBY-UHFFFAOYSA-N -1 1 324.322 0.559 20 5 DCBDMM O=[N+]([O-])c1ccc(-c2nn[n-]n2)c(S(=O)(=O)N2CCCC2)c1 ZINC001593473952 1167863978 /nfs/dbraw/zinc/86/39/78/1167863978.db2.gz ISNQSWUFBTUHBY-UHFFFAOYSA-N -1 1 324.322 0.559 20 5 DCBDMM O=[N+]([O-])c1cnccc1NCc1nc(-c2nnn[n-]2)cs1 ZINC001593487426 1167872861 /nfs/dbraw/zinc/87/28/61/1167872861.db2.gz NHIHTGZUFVRSHO-UHFFFAOYSA-N -1 1 304.295 0.660 20 5 DCBDMM O=[N+]([O-])c1cnccc1NCc1nc(-c2nn[n-]n2)cs1 ZINC001593487426 1167872866 /nfs/dbraw/zinc/87/28/66/1167872866.db2.gz NHIHTGZUFVRSHO-UHFFFAOYSA-N -1 1 304.295 0.660 20 5 DCBDMM Cc1nnc(C2CN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)[nH]1 ZINC001595446403 1167972531 /nfs/dbraw/zinc/97/25/31/1167972531.db2.gz ADCMVJGVYCJQHE-UHFFFAOYSA-N -1 1 304.266 0.362 20 5 DCBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1CCO[C@H]1C(=O)[O-] ZINC001600488249 1168192382 /nfs/dbraw/zinc/19/23/82/1168192382.db2.gz OGEZGRDCIPXWPA-GXFFZTMASA-N -1 1 323.305 0.673 20 5 DCBDMM O=C([O-])[C@H](Cc1ccc(F)cc1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001601565822 1168782494 /nfs/dbraw/zinc/78/24/94/1168782494.db2.gz JNCPKPBGXHBXOR-VIFPVBQESA-N -1 1 322.252 0.883 20 5 DCBDMM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])[C@H]([C@H]2CCCO2)C1 ZINC001601824049 1168906162 /nfs/dbraw/zinc/90/61/62/1168906162.db2.gz ANYIYALSJNDPAH-PZWNZHSQSA-N -1 1 312.322 0.522 20 5 DCBDMM O=C([O-])C[C@@]1(NCC(=O)Nc2ccccc2[N+](=O)[O-])CCOC1 ZINC001601932478 1168939452 /nfs/dbraw/zinc/93/94/52/1168939452.db2.gz BSJWEGIOWSYPJS-AWEZNQCLSA-N -1 1 323.305 0.757 20 5 DCBDMM C[C@@H](C[S@](C)=O)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001603571899 1169326751 /nfs/dbraw/zinc/32/67/51/1169326751.db2.gz KHYPWFDNYCPSFP-SGWXMTNESA-N -1 1 310.339 0.954 20 5 DCBDMM C[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC001603940055 1169446608 /nfs/dbraw/zinc/44/66/08/1169446608.db2.gz CYOIGQNSXWFFLM-VROVMSAKSA-N -1 1 319.325 0.623 20 5 DCBDMM C[C@@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC001603940055 1169446613 /nfs/dbraw/zinc/44/66/13/1169446613.db2.gz CYOIGQNSXWFFLM-VROVMSAKSA-N -1 1 319.325 0.623 20 5 DCBDMM CN(CCCCCO)c1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001604742105 1169667493 /nfs/dbraw/zinc/66/74/93/1169667493.db2.gz XSCYKNZQPWKRFR-UHFFFAOYSA-N -1 1 321.341 0.956 20 5 DCBDMM CN(CCCCCO)c1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001604742105 1169667498 /nfs/dbraw/zinc/66/74/98/1169667498.db2.gz XSCYKNZQPWKRFR-UHFFFAOYSA-N -1 1 321.341 0.956 20 5 DCBDMM COc1cc(Cn2cnc(-c3nn[n-]n3)n2)c([N+](=O)[O-])cc1F ZINC001605223001 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ZINC001593476648 1167861759 /nfs/dbraw/zinc/86/17/59/1167861759.db2.gz TZABXDQSLLAHEK-UHFFFAOYSA-N -1 1 316.237 0.928 20 5 DCBDMM O=C([O-])[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001602217627 1169032786 /nfs/dbraw/zinc/03/27/86/1169032786.db2.gz KXRFKNYVUGWDND-LXGUWJNJSA-N -1 1 310.228 0.763 20 5 DCBDMM CC(C)(C(=O)[O-])N1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC001603262258 1169285192 /nfs/dbraw/zinc/28/51/92/1169285192.db2.gz DLIIHWKGEPGWJQ-UHFFFAOYSA-N -1 1 310.310 0.544 20 5 DCBDMM C[C@@H](O)[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCO1 ZINC001603694703 1169358117 /nfs/dbraw/zinc/35/81/17/1169358117.db2.gz COOGXYBXQAJKLA-PRHODGIISA-N -1 1 320.309 0.361 20 5 DCBDMM C[C@@H](O)[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCO1 ZINC001603694703 1169358125 /nfs/dbraw/zinc/35/81/25/1169358125.db2.gz COOGXYBXQAJKLA-PRHODGIISA-N -1 1 320.309 0.361 20 5 DCBDMM COC(=O)[C@@](C)(O)CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001604904050 1169739918 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DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC1(CCO)CC1 ZINC001607077016 1170382444 /nfs/dbraw/zinc/38/24/44/1170382444.db2.gz IPCPJHDRWZJARF-UHFFFAOYSA-N -1 1 305.298 0.744 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC1(CCO)CC1 ZINC001607077016 1170382450 /nfs/dbraw/zinc/38/24/50/1170382450.db2.gz IPCPJHDRWZJARF-UHFFFAOYSA-N -1 1 305.298 0.744 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N[C@@H]1CCOC[C@H]1O ZINC001607088305 1170385667 /nfs/dbraw/zinc/38/56/67/1170385667.db2.gz KXWIENDQVRLRNN-IYSWYEEDSA-N -1 1 312.311 0.398 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N[C@@H]1CCOC[C@H]1O ZINC001607088305 1170385675 /nfs/dbraw/zinc/38/56/75/1170385675.db2.gz KXWIENDQVRLRNN-IYSWYEEDSA-N -1 1 312.311 0.398 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCCOCCO ZINC001607087958 1170385686 /nfs/dbraw/zinc/38/56/86/1170385686.db2.gz BYRRGAKARQRHGY-UHFFFAOYSA-N -1 1 300.300 0.257 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCCOCCO ZINC001607087958 1170385695 /nfs/dbraw/zinc/38/56/95/1170385695.db2.gz BYRRGAKARQRHGY-UHFFFAOYSA-N -1 1 300.300 0.257 20 5 DCBDMM Cc1n[nH]c(C2CN(c3nccc(C(=O)[O-])c3[N+](=O)[O-])C2)n1 ZINC001607951928 1170532585 /nfs/dbraw/zinc/53/25/85/1170532585.db2.gz IUKABVXNDVSGKG-UHFFFAOYSA-N -1 1 304.266 0.718 20 5 DCBDMM Cc1nc(C2CN(c3nccc(C(=O)[O-])c3[N+](=O)[O-])C2)n[nH]1 ZINC001607951928 1170532709 /nfs/dbraw/zinc/53/27/09/1170532709.db2.gz IUKABVXNDVSGKG-UHFFFAOYSA-N -1 1 304.266 0.718 20 5 DCBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2C[C@H](CO)[C@H](CCO)C2)c1 ZINC001608914346 1170771903 /nfs/dbraw/zinc/77/19/03/1170771903.db2.gz MJUFPBMFFVXANC-DGCLKSJQSA-N -1 1 324.333 0.716 20 5 DCBDMM C[C@]1(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCC(=O)N1 ZINC001609149628 1170826071 /nfs/dbraw/zinc/82/60/71/1170826071.db2.gz SXUZVHSSVFSBBY-CYBMUJFWSA-N -1 1 317.309 0.856 20 5 DCBDMM C[C@]1(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCC(=O)N1 ZINC001609149628 1170826075 /nfs/dbraw/zinc/82/60/75/1170826075.db2.gz SXUZVHSSVFSBBY-CYBMUJFWSA-N -1 1 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CC(C)(CCC(=O)N1CCC[C@H](Cc2nn[n-]n2)C1)[N+](=O)[O-] ZINC001558345903 1012345951 /nfs/dbraw/zinc/34/59/51/1012345951.db2.gz IYUCIOZFNCJREA-SNVBAGLBSA-N -1 1 310.358 0.816 20 5 DCBDMM Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425286203 240333688 /nfs/dbraw/zinc/33/36/88/240333688.db2.gz AKGOPIHYKQJMHA-SSDOTTSWSA-N -1 1 322.281 0.437 20 5 DCBDMM O=[N+]([O-])c1cnn(CC[N-]S(=O)(=O)c2sccc2F)c1 ZINC000338940138 253013161 /nfs/dbraw/zinc/01/31/61/253013161.db2.gz RIZRXUBBDCAHBF-UHFFFAOYSA-N -1 1 320.327 0.970 20 5 DCBDMM C[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCCC1=O ZINC000338900755 253007280 /nfs/dbraw/zinc/00/72/80/253007280.db2.gz JSVDKFOIEWLQHN-SECBINFHSA-N -1 1 322.321 0.826 20 5 DCBDMM NC(=O)CC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000339798021 253146833 /nfs/dbraw/zinc/14/68/33/253146833.db2.gz BLASHTZVNQAGIF-VIFPVBQESA-N -1 1 322.321 0.813 20 5 DCBDMM C[C@@](O)(CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000349075369 254272280 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CCn1cc(S(=O)(=O)[N-][C@]2(C)CCO[C@@H]2C)c([N+](=O)[O-])n1 ZINC000343975620 415806307 /nfs/dbraw/zinc/80/63/07/415806307.db2.gz ITVIRLJVLPWHLK-LDYMZIIASA-N -1 1 318.355 0.657 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-]c2ccc(=O)[nH]c2)c([N+](=O)[O-])n1 ZINC000357333516 416064641 /nfs/dbraw/zinc/06/46/41/416064641.db2.gz NMJYSYCRNRVYRJ-UHFFFAOYSA-N -1 1 313.295 0.713 20 5 DCBDMM O=C(NCCNc1ccccn1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000357722693 416121156 /nfs/dbraw/zinc/12/11/56/416121156.db2.gz SMXMDVVZYREXFY-UHFFFAOYSA-N -1 1 303.278 0.932 20 5 DCBDMM C[C@H](CN(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1nn[nH]n1 ZINC000357989579 416168420 /nfs/dbraw/zinc/16/84/20/416168420.db2.gz KZZQCQXABFRVRS-SSDOTTSWSA-N -1 1 306.282 0.689 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-]C[C@H]2CC[C@H](C)O2)c([N+](=O)[O-])n1 ZINC000416530543 416374331 /nfs/dbraw/zinc/37/43/31/416374331.db2.gz GIKSIMZMMXZHIR-DTWKUNHWSA-N -1 1 318.355 0.657 20 5 DCBDMM CC[C@@H](O)CCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000532770780 416453685 /nfs/dbraw/zinc/45/36/85/416453685.db2.gz XKHWFCQCBKKHSN-SECBINFHSA-N -1 1 303.340 0.819 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-]C2(COC)CC2)c([N+](=O)[O-])n1 ZINC000532853346 416460121 /nfs/dbraw/zinc/46/01/21/416460121.db2.gz DOEGTPSONBESJA-UHFFFAOYSA-N -1 1 304.328 0.269 20 5 DCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H]1CCCC[C@@H]1O ZINC000515507771 416702380 /nfs/dbraw/zinc/70/23/80/416702380.db2.gz UJWYNHZIZISYLF-ZJUUUORDSA-N -1 1 315.351 0.819 20 5 DCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000525880511 417158276 /nfs/dbraw/zinc/15/82/76/417158276.db2.gz XRVQHFSBGXCEAC-IVZWLZJFSA-N -1 1 313.335 0.836 20 5 DCBDMM O=C(NC1(c2nn[nH]n2)CC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000569852454 417303499 /nfs/dbraw/zinc/30/34/99/417303499.db2.gz VTTZIAHAYKLTKK-UHFFFAOYSA-N -1 1 324.684 0.886 20 5 DCBDMM CCOC(=O)C1(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000354752575 261267478 /nfs/dbraw/zinc/26/74/78/261267478.db2.gz QSWDPRFMWBLUAA-UHFFFAOYSA-N -1 1 309.278 0.769 20 5 DCBDMM O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000370855256 262154239 /nfs/dbraw/zinc/15/42/39/262154239.db2.gz IRWQUYNVOQOQEQ-SNVBAGLBSA-N -1 1 322.256 0.461 20 5 DCBDMM CC(C)(CN1CCOCC1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000413950836 262229790 /nfs/dbraw/zinc/22/97/90/262229790.db2.gz ALCQDTBYTGDCBP-UHFFFAOYSA-N -1 1 324.337 0.536 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H](O)C2CCC2)c([N+](=O)[O-])n1 ZINC000452054077 271907802 /nfs/dbraw/zinc/90/78/02/271907802.db2.gz QDJUVFVUFHMEIF-SECBINFHSA-N -1 1 318.355 0.251 20 5 DCBDMM CNC(=O)[C@]1(C)CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000281626355 277015047 /nfs/dbraw/zinc/01/50/47/277015047.db2.gz UQJHHKKGPZYVEX-CYBMUJFWSA-N -1 1 308.294 0.294 20 5 DCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1CCO ZINC000547968619 288096695 /nfs/dbraw/zinc/09/66/95/288096695.db2.gz JDOHULONEUBAPL-ZJUUUORDSA-N -1 1 315.351 0.819 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-]c2ccc[nH]c2=O)c([N+](=O)[O-])n1 ZINC000559421231 288473763 /nfs/dbraw/zinc/47/37/63/288473763.db2.gz WAYZTEFJYMBUEO-UHFFFAOYSA-N -1 1 313.295 0.713 20 5 DCBDMM O=C(NC[C@H](CO)Cc1ccco1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000583182992 337258874 /nfs/dbraw/zinc/25/88/74/337258874.db2.gz FSDWKDIACIGGPF-SECBINFHSA-N -1 1 321.289 0.869 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CO[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000580644557 341891365 /nfs/dbraw/zinc/89/13/65/341891365.db2.gz SXGAZGZEGIOFLW-SFYZADRCSA-N -1 1 304.328 0.267 20 5 DCBDMM CC(C)(C)C(=O)NCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000299565699 527596006 /nfs/dbraw/zinc/59/60/06/527596006.db2.gz MNTDCSHJKNBGQS-UHFFFAOYSA-N -1 1 310.310 0.588 20 5 DCBDMM NC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC000826389986 607448865 /nfs/dbraw/zinc/44/88/65/607448865.db2.gz NEEDMMMHCNGRHF-QMMMGPOBSA-N -1 1 317.309 0.477 20 5 DCBDMM NC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC000826389986 607448867 /nfs/dbraw/zinc/44/88/67/607448867.db2.gz NEEDMMMHCNGRHF-QMMMGPOBSA-N -1 1 317.309 0.477 20 5 DCBDMM CN(c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)[C@@H]1CCN(C)C1=O ZINC000826021950 607452005 /nfs/dbraw/zinc/45/20/05/607452005.db2.gz GGWPDBXTEHRLNG-LLVKDONJSA-N -1 1 317.309 0.442 20 5 DCBDMM CN(c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)[C@@H]1CCN(C)C1=O ZINC000826021950 607452006 /nfs/dbraw/zinc/45/20/06/607452006.db2.gz GGWPDBXTEHRLNG-LLVKDONJSA-N -1 1 317.309 0.442 20 5 DCBDMM COC(=O)CN(CC(=O)[O-])C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000831170129 604600259 /nfs/dbraw/zinc/60/02/59/604600259.db2.gz GDMFBUGSGZCCLR-UHFFFAOYSA-N -1 1 312.234 0.000 20 5 DCBDMM CN(Cc1ncc[nH]1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821618132 606711362 /nfs/dbraw/zinc/71/13/62/606711362.db2.gz RPDLPYABXVEXCE-UHFFFAOYSA-N -1 1 301.270 0.529 20 5 DCBDMM CN(Cc1ncc[nH]1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821618132 606711364 /nfs/dbraw/zinc/71/13/64/606711364.db2.gz RPDLPYABXVEXCE-UHFFFAOYSA-N -1 1 301.270 0.529 20 5 DCBDMM C[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])C[C@H](C)O ZINC000820473557 606711623 /nfs/dbraw/zinc/71/16/23/606711623.db2.gz GMIHFDONQFAXKR-SFYZADRCSA-N -1 1 307.314 0.989 20 5 DCBDMM C[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])C[C@H](C)O ZINC000820473557 606711624 /nfs/dbraw/zinc/71/16/24/606711624.db2.gz GMIHFDONQFAXKR-SFYZADRCSA-N -1 1 307.314 0.989 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000823614843 606715439 /nfs/dbraw/zinc/71/54/39/606715439.db2.gz UDGMIVQOGQBGIG-OCAPTIKFSA-N -1 1 303.282 0.538 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000823614843 606715440 /nfs/dbraw/zinc/71/54/40/606715440.db2.gz UDGMIVQOGQBGIG-OCAPTIKFSA-N -1 1 303.282 0.538 20 5 DCBDMM CC[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@H]1O ZINC000825219876 608018156 /nfs/dbraw/zinc/01/81/56/608018156.db2.gz NGZICOBOYZOXMD-VXNVDRBHSA-N -1 1 305.298 0.377 20 5 DCBDMM CC[C@@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@H]1O ZINC000825219876 608018157 /nfs/dbraw/zinc/01/81/57/608018157.db2.gz NGZICOBOYZOXMD-VXNVDRBHSA-N 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Cn1[n-]cc2c(=NC(=O)c3ccc([N+](=O)[O-])n3C)ccnc1-2 ZINC000801701312 670138868 /nfs/dbraw/zinc/13/88/68/670138868.db2.gz IWBJLTNTGKOIRW-UHFFFAOYSA-N -1 1 300.278 0.841 20 5 DCBDMM Cn1nncc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000808315364 670406748 /nfs/dbraw/zinc/40/67/48/670406748.db2.gz BPQFXPSKESKRNE-UHFFFAOYSA-N -1 1 303.325 0.263 20 5 DCBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C1(CCO)CC1 ZINC000814281476 670683790 /nfs/dbraw/zinc/68/37/90/670683790.db2.gz RHFCRJXQOZANAR-UHFFFAOYSA-N -1 1 304.299 0.927 20 5 DCBDMM CNC(=O)[C@@H](C)[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848587693 670698582 /nfs/dbraw/zinc/69/85/82/670698582.db2.gz LLCXSHMTLLUOKA-SSDOTTSWSA-N -1 1 317.248 0.817 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-]CCCOCOC)c([N+](=O)[O-])n1 ZINC000859383528 671106661 /nfs/dbraw/zinc/10/66/61/671106661.db2.gz HNGSOHSOSABBDS-UHFFFAOYSA-N -1 1 322.343 0.100 20 5 DCBDMM CC1(C)COC(=O)[C@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000841534588 671940351 /nfs/dbraw/zinc/94/03/51/671940351.db2.gz KHAFXSNBAMPBON-MRVPVSSYSA-N -1 1 315.307 0.220 20 5 DCBDMM O=C(CCCc1nn[n-]n1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001566169613 1159970197 /nfs/dbraw/zinc/97/01/97/1159970197.db2.gz WTMZQWFCABNNIH-UHFFFAOYSA-N -1 1 302.294 0.973 20 5 DCBDMM Cc1ccn(C)c(=O)c1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001587502212 1166508611 /nfs/dbraw/zinc/50/86/11/1166508611.db2.gz FUQZVYTZZXPCSY-UHFFFAOYSA-N -1 1 304.262 0.955 20 5 DCBDMM CC(C)[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001589436935 1166659646 /nfs/dbraw/zinc/65/96/46/1166659646.db2.gz MRQNUVJJTBFHMI-SSDOTTSWSA-N -1 1 308.302 0.132 20 5 DCBDMM CC(C)Cn1ncnc1Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001589671587 1166671247 /nfs/dbraw/zinc/67/12/47/1166671247.db2.gz QABNFPBZMLISCG-UHFFFAOYSA-N -1 1 318.301 0.267 20 5 DCBDMM C[C@H](CCO)CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001589834294 1166695829 /nfs/dbraw/zinc/69/58/29/1166695829.db2.gz KTGYUDVWEDTRHK-QMMMGPOBSA-N -1 1 307.314 0.990 20 5 DCBDMM C[C@H](CCO)CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001589834294 1166695832 /nfs/dbraw/zinc/69/58/32/1166695832.db2.gz KTGYUDVWEDTRHK-QMMMGPOBSA-N -1 1 307.314 0.990 20 5 DCBDMM C[C@@H]1CCNC(=O)[C@H]1Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590279266 1166840561 /nfs/dbraw/zinc/84/05/61/1166840561.db2.gz YNTAIICRCKVGIG-HQJQHLMTSA-N -1 1 317.309 0.711 20 5 DCBDMM C[C@@H]1CO[C@@H](CO)CN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590323670 1166866823 /nfs/dbraw/zinc/86/68/23/1166866823.db2.gz NGOPCERZNJJYNU-PSASIEDQSA-N -1 1 320.309 0.361 20 5 DCBDMM CCCN(CC(N)=O)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590622849 1166950917 /nfs/dbraw/zinc/95/09/17/1166950917.db2.gz KOSROZNGAPEXEZ-UHFFFAOYSA-N -1 1 311.327 0.538 20 5 DCBDMM CCCN(CC(N)=O)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590622849 1166950925 /nfs/dbraw/zinc/95/09/25/1166950925.db2.gz KOSROZNGAPEXEZ-UHFFFAOYSA-N -1 1 311.327 0.538 20 5 DCBDMM CN(c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])[C@@H]1COC[C@H]1O ZINC001591154735 1167118562 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C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@@]2(CCOC2)O1 ZINC000280750311 415546817 /nfs/dbraw/zinc/54/68/17/415546817.db2.gz DRQNBLAWCIFRKD-YMTOWFKASA-N -1 1 323.305 0.715 20 5 DCBDMM C[C@@H](CN1CCCC1=O)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000298982141 416043597 /nfs/dbraw/zinc/04/35/97/416043597.db2.gz PGJMYTMDUBCWFG-QMMMGPOBSA-N -1 1 308.294 0.436 20 5 DCBDMM O=C(COc1ccccc1[N+](=O)[O-])NC1(c2nn[n-]n2)CC1 ZINC000352204319 416304572 /nfs/dbraw/zinc/30/45/72/416304572.db2.gz FWBKBMFOPGHCTK-UHFFFAOYSA-N -1 1 304.266 0.292 20 5 DCBDMM CC1(C)CN(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCO1 ZINC000263642858 416338506 /nfs/dbraw/zinc/33/85/06/416338506.db2.gz BLHXBYBIGUISIE-UHFFFAOYSA-N -1 1 324.337 0.536 20 5 DCBDMM O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000533113685 416474383 /nfs/dbraw/zinc/47/43/83/416474383.db2.gz FTGNLEMSTITJBA-VIFPVBQESA-N -1 1 320.313 0.101 20 5 DCBDMM Cc1cc(OCC(=O)NC(C)(C)c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000435752194 416535672 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COCCN(CCOC)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000826158593 607448775 /nfs/dbraw/zinc/44/87/75/607448775.db2.gz VQYXBYMKEOSIFQ-UHFFFAOYSA-N -1 1 322.325 0.874 20 5 DCBDMM O=C(NCCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)C1CC1 ZINC000826438246 607452186 /nfs/dbraw/zinc/45/21/86/607452186.db2.gz URNBYQDOZFPUOA-UHFFFAOYSA-N -1 1 317.309 0.713 20 5 DCBDMM O=C(NCCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)C1CC1 ZINC000826438246 607452187 /nfs/dbraw/zinc/45/21/87/607452187.db2.gz URNBYQDOZFPUOA-UHFFFAOYSA-N -1 1 317.309 0.713 20 5 DCBDMM COC[C@@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821684890 606712443 /nfs/dbraw/zinc/71/24/43/606712443.db2.gz NWTJPAXYZPRHEL-MRVPVSSYSA-N -1 1 305.298 0.643 20 5 DCBDMM COC[C@@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821684890 606712445 /nfs/dbraw/zinc/71/24/45/606712445.db2.gz NWTJPAXYZPRHEL-MRVPVSSYSA-N -1 1 305.298 0.643 20 5 DCBDMM O=C(NCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])C1CC1 ZINC000823205945 607163002 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/nfs/dbraw/zinc/74/46/08/271744608.db2.gz MVPCWICCZXLZBD-UHFFFAOYSA-N -1 1 303.221 0.802 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2C[C@H](O)C2(C)C)c([N+](=O)[O-])n1 ZINC000492298750 272121021 /nfs/dbraw/zinc/12/10/21/272121021.db2.gz YJMBRMYXUPMAAG-BDAKNGLRSA-N -1 1 318.355 0.249 20 5 DCBDMM C[C@@H](O)C[C@H](C)C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000532770769 272794030 /nfs/dbraw/zinc/79/40/30/272794030.db2.gz QVQBRUPPQDXOAW-DTWKUNHWSA-N -1 1 303.340 0.675 20 5 DCBDMM C[C@@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000575350511 341794428 /nfs/dbraw/zinc/79/44/28/341794428.db2.gz MCRHNLNHTLDYIL-SKDRFNHKSA-N -1 1 315.351 0.819 20 5 DCBDMM CCC[C@@H](NC(=O)Cn1cc([N+](=O)[O-])nc1C)c1nn[n-]n1 ZINC000267711600 520736161 /nfs/dbraw/zinc/73/61/61/520736161.db2.gz SHCLOILMZVAYIU-MRVPVSSYSA-N -1 1 308.302 0.270 20 5 DCBDMM CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000299335363 529174613 /nfs/dbraw/zinc/17/46/13/529174613.db2.gz PFVXGEWLVRFYTP-YUMQZZPRSA-N -1 1 310.310 0.728 20 5 DCBDMM Cc1cc([N+](=O)[O-])cn(Cc2ccnc(-c3nnn[n-]3)c2)c1=O ZINC000826272332 607553888 /nfs/dbraw/zinc/55/38/88/607553888.db2.gz DSTAUXJBVLXGLO-UHFFFAOYSA-N -1 1 313.277 0.688 20 5 DCBDMM Cc1cc([N+](=O)[O-])cn(Cc2ccnc(-c3nn[n-]n3)c2)c1=O ZINC000826272332 607553889 /nfs/dbraw/zinc/55/38/89/607553889.db2.gz DSTAUXJBVLXGLO-UHFFFAOYSA-N -1 1 313.277 0.688 20 5 DCBDMM N=C(NOCc1ccccc1[N+](=O)[O-])[C@H]1COCCN1C(=O)[O-] ZINC000833981210 605924926 /nfs/dbraw/zinc/92/49/26/605924926.db2.gz SIOKSZKNQQNBGB-LLVKDONJSA-N -1 1 324.293 0.972 20 5 DCBDMM NC(=O)C1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC000822865064 606644375 /nfs/dbraw/zinc/64/43/75/606644375.db2.gz UFWLMHFLGONDIH-UHFFFAOYSA-N -1 1 317.309 0.477 20 5 DCBDMM CCCNC(=O)CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821114136 606701457 /nfs/dbraw/zinc/70/14/57/606701457.db2.gz JJSKKRJRAZNGGN-UHFFFAOYSA-N -1 1 320.313 0.498 20 5 DCBDMM CCCNC(=O)CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821114136 606701458 /nfs/dbraw/zinc/70/14/58/606701458.db2.gz JJSKKRJRAZNGGN-UHFFFAOYSA-N -1 1 320.313 0.498 20 5 DCBDMM C[C@@H](Cn1cncn1)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820307068 606704423 /nfs/dbraw/zinc/70/44/23/606704423.db2.gz HZRJVOZKNNLPAB-ZETCQYMHSA-N -1 1 316.285 0.262 20 5 DCBDMM C[C@@H](Cn1cncn1)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820307068 606704425 /nfs/dbraw/zinc/70/44/25/606704425.db2.gz HZRJVOZKNNLPAB-ZETCQYMHSA-N -1 1 316.285 0.262 20 5 DCBDMM C[C@@](O)(CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccco1 ZINC000173703585 664631106 /nfs/dbraw/zinc/63/11/06/664631106.db2.gz CQLQVMTXLOHRPF-CYBMUJFWSA-N -1 1 307.262 0.926 20 5 DCBDMM COC(=O)C1=CC[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000862661808 667066895 /nfs/dbraw/zinc/06/68/95/667066895.db2.gz KGPNEKXSZRJUEE-VIFPVBQESA-N -1 1 307.262 0.687 20 5 DCBDMM O=C([N-]S(=O)(=O)c1cc2ccccc2o1)[C@@H]1CC1[N+](=O)[O-] ZINC000851247863 670973976 /nfs/dbraw/zinc/97/39/76/670973976.db2.gz HZAQLWFMHWPFDE-RKDXNWHRSA-N -1 1 310.287 0.903 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCC1(CO)COC1 ZINC001582804425 1166086286 /nfs/dbraw/zinc/08/62/86/1166086286.db2.gz CQTZSIOOPITWKB-UHFFFAOYSA-N -1 1 312.311 0.257 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCC1(CO)COC1 ZINC001582804425 1166086288 /nfs/dbraw/zinc/08/62/88/1166086288.db2.gz CQTZSIOOPITWKB-UHFFFAOYSA-N -1 1 312.311 0.257 20 5 DCBDMM CN(C)C(=O)CSc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001591003538 1167074490 /nfs/dbraw/zinc/07/44/90/1167074490.db2.gz BUEYSABPSUGHQK-UHFFFAOYSA-N -1 1 308.323 0.955 20 5 DCBDMM CN(C)C(=O)CSc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591003538 1167074496 /nfs/dbraw/zinc/07/44/96/1167074496.db2.gz BUEYSABPSUGHQK-UHFFFAOYSA-N -1 1 308.323 0.955 20 5 DCBDMM CN(Cc1cn(C)nn1)c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591151376 1167116933 /nfs/dbraw/zinc/11/69/33/1167116933.db2.gz WTIHCLFUTSZKFK-UHFFFAOYSA-N -1 1 315.297 0.540 20 5 DCBDMM CN(Cc1cn(C)nn1)c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591151376 1167116939 /nfs/dbraw/zinc/11/69/39/1167116939.db2.gz WTIHCLFUTSZKFK-UHFFFAOYSA-N -1 1 315.297 0.540 20 5 DCBDMM CN1CCOC[C@@H]1CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591194791 1167144253 /nfs/dbraw/zinc/14/42/53/1167144253.db2.gz IKOBLLUMKHAKRX-VIFPVBQESA-N -1 1 319.325 0.517 20 5 DCBDMM CN1CCOC[C@@H]1CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591194791 1167144256 /nfs/dbraw/zinc/14/42/56/1167144256.db2.gz IKOBLLUMKHAKRX-VIFPVBQESA-N -1 1 319.325 0.517 20 5 DCBDMM CO[C@H]1CN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CCO1 ZINC001591364321 1167239181 /nfs/dbraw/zinc/23/91/81/1167239181.db2.gz ZDAADAQRHUISCO-MRVPVSSYSA-N -1 1 312.311 0.646 20 5 DCBDMM CO[C@H]1CN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CCO1 ZINC001591364321 1167239185 /nfs/dbraw/zinc/23/91/85/1167239185.db2.gz ZDAADAQRHUISCO-MRVPVSSYSA-N -1 1 312.311 0.646 20 5 DCBDMM Cc1cc(NCc2cnn(C)n2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592053416 1167446591 /nfs/dbraw/zinc/44/65/91/1167446591.db2.gz BLEKAIUJJGIQIB-UHFFFAOYSA-N -1 1 315.297 0.824 20 5 DCBDMM Cc1cc(NCc2cnn(C)n2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592053416 1167446595 /nfs/dbraw/zinc/44/65/95/1167446595.db2.gz BLEKAIUJJGIQIB-UHFFFAOYSA-N -1 1 315.297 0.824 20 5 DCBDMM Cc1nnc([C@@H](C)Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])[nH]1 ZINC001592441070 1167524299 /nfs/dbraw/zinc/52/42/99/1167524299.db2.gz PXBUVTHMGMFEHO-RXMQYKEDSA-N -1 1 316.285 0.770 20 5 DCBDMM Cn1cnc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)n1 ZINC001592587943 1167574667 /nfs/dbraw/zinc/57/46/67/1167574667.db2.gz ZXEXIOFJGSVJOQ-UHFFFAOYSA-N -1 1 301.270 0.516 20 5 DCBDMM NC(=O)N[C@@H]1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001592731692 1167618995 /nfs/dbraw/zinc/61/89/95/1167618995.db2.gz HTMLTWJFBSCVSJ-SSDOTTSWSA-N -1 1 318.297 0.022 20 5 DCBDMM NC(=O)N[C@@H]1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001592731692 1167619000 /nfs/dbraw/zinc/61/90/00/1167619000.db2.gz HTMLTWJFBSCVSJ-SSDOTTSWSA-N -1 1 318.297 0.022 20 5 DCBDMM O=C(Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1)Nc1nccs1 ZINC001592937898 1167667101 /nfs/dbraw/zinc/66/71/01/1167667101.db2.gz VELDLBSQZNSTJX-UHFFFAOYSA-N -1 1 321.282 0.067 20 5 DCBDMM O=C(Cn1ccnc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1F ZINC001592940716 1167669711 /nfs/dbraw/zinc/66/97/11/1167669711.db2.gz WBDXHQIIVYQDNM-UHFFFAOYSA-N -1 1 317.240 0.993 20 5 DCBDMM O=C(Cn1ccnc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1F ZINC001592940716 1167669717 /nfs/dbraw/zinc/66/97/17/1167669717.db2.gz WBDXHQIIVYQDNM-UHFFFAOYSA-N -1 1 317.240 0.993 20 5 DCBDMM O=[N+]([O-])c1ccc(NC[C@H]2COCCO2)cc1-c1nnn[n-]1 ZINC001593477827 1167860304 /nfs/dbraw/zinc/86/03/04/1167860304.db2.gz GAIUOHHMTNIZCU-VIFPVBQESA-N -1 1 306.282 0.602 20 5 DCBDMM O=[N+]([O-])c1ccc(NC[C@H]2COCCO2)cc1-c1nn[n-]n1 ZINC001593477827 1167860313 /nfs/dbraw/zinc/86/03/13/1167860313.db2.gz GAIUOHHMTNIZCU-VIFPVBQESA-N -1 1 306.282 0.602 20 5 DCBDMM O=[N+]([O-])c1ccc(NCC[C@@]2(O)CCOC2)cc1-c1nnn[n-]1 ZINC001593477977 1167863407 /nfs/dbraw/zinc/86/34/07/1167863407.db2.gz MZUDTRGXHOZPSE-CYBMUJFWSA-N -1 1 320.309 0.728 20 5 DCBDMM O=[N+]([O-])c1ccc(NCC[C@@]2(O)CCOC2)cc1-c1nn[n-]n1 ZINC001593477977 1167863410 /nfs/dbraw/zinc/86/34/10/1167863410.db2.gz MZUDTRGXHOZPSE-CYBMUJFWSA-N -1 1 320.309 0.728 20 5 DCBDMM O=C([O-])c1cn(-c2cccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c2)nn1 ZINC001602495568 1169093642 /nfs/dbraw/zinc/09/36/42/1169093642.db2.gz QXCUZWORAQTRSM-MWLCHTKSSA-N -1 1 317.261 0.569 20 5 DCBDMM C[C@H]1CN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C[C@@H]1O ZINC001604799817 1169688175 /nfs/dbraw/zinc/68/81/75/1169688175.db2.gz LUZNWSBIARPEPM-CABZTGNLSA-N -1 1 310.306 0.871 20 5 DCBDMM C[C@H]1CN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C[C@H]1O ZINC001604799818 1169689474 /nfs/dbraw/zinc/68/94/74/1169689474.db2.gz LUZNWSBIARPEPM-JOYOIKCWSA-N -1 1 310.306 0.871 20 5 DCBDMM COC[C@H](CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)OC ZINC001605056007 1169797568 /nfs/dbraw/zinc/79/75/68/1169797568.db2.gz NJXZTTZEBWPJQP-VIFPVBQESA-N -1 1 308.298 0.848 20 5 DCBDMM COC[C@H](CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)OC ZINC001605056007 1169797574 /nfs/dbraw/zinc/79/75/74/1169797574.db2.gz NJXZTTZEBWPJQP-VIFPVBQESA-N -1 1 308.298 0.848 20 5 DCBDMM NC(=O)C[C@@H]1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001606410647 1170190185 /nfs/dbraw/zinc/19/01/85/1170190185.db2.gz JQSHFYCUHDVVJV-QMMMGPOBSA-N -1 1 317.309 0.477 20 5 DCBDMM NC(=O)C[C@@H]1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001606410647 1170190188 /nfs/dbraw/zinc/19/01/88/1170190188.db2.gz JQSHFYCUHDVVJV-QMMMGPOBSA-N -1 1 317.309 0.477 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CCC2(C1)OCCO2 ZINC001607076519 1170382268 /nfs/dbraw/zinc/38/22/68/1170382268.db2.gz PDZVMPCQDYIFAK-UHFFFAOYSA-N -1 1 318.293 0.728 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CCC2(C1)OCCO2 ZINC001607076519 1170382271 /nfs/dbraw/zinc/38/22/71/1170382271.db2.gz PDZVMPCQDYIFAK-UHFFFAOYSA-N -1 1 318.293 0.728 20 5 DCBDMM O=[N+]([O-])c1cn(CCOC[C@H]2CCCO2)nc1-c1nn[n-]n1 ZINC001607084883 1170383538 /nfs/dbraw/zinc/38/35/38/1170383538.db2.gz DLSKWFCZOFTKDK-MRVPVSSYSA-N -1 1 309.286 0.167 20 5 DCBDMM CCNC(=O)C1CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001609228910 1170883093 /nfs/dbraw/zinc/88/30/93/1170883093.db2.gz SHLPSRAEPATVEX-UHFFFAOYSA-N -1 1 317.309 0.347 20 5 DCBDMM CCNC(=O)C1CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001609228910 1170883102 /nfs/dbraw/zinc/88/31/02/1170883102.db2.gz SHLPSRAEPATVEX-UHFFFAOYSA-N -1 1 317.309 0.347 20 5 DCBDMM COc1ccc([N+](=O)[O-])cc1CNC(=O)CCc1nn[n-]n1 ZINC001623818601 1171444381 /nfs/dbraw/zinc/44/43/81/1171444381.db2.gz IBQZFIHFXDUYMV-UHFFFAOYSA-N -1 1 306.282 0.366 20 5 DCBDMM C[S@](=O)[C@@H]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC001639104291 1171821041 /nfs/dbraw/zinc/82/10/41/1171821041.db2.gz CXLUNELPBZPXBW-BRQACRHRSA-N -1 1 313.335 0.725 20 5 DCBDMM Cc1cc(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)nn1C ZINC001641843610 1171928902 /nfs/dbraw/zinc/92/89/02/1171928902.db2.gz HNVYVWHZAFMCGT-UHFFFAOYSA-N -1 1 305.294 0.710 20 5 DCBDMM Cc1cc(Cl)c(C(=O)[N-]N2CC(=O)NC2=O)cc1[N+](=O)[O-] ZINC001654198264 1173801587 /nfs/dbraw/zinc/80/15/87/1173801587.db2.gz XAXXFKKROGGKBR-UHFFFAOYSA-N -1 1 312.669 0.753 20 5 DCBDMM CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@H]1CCCCN(C)C1=O ZINC001654766339 1173810594 /nfs/dbraw/zinc/81/05/94/1173810594.db2.gz IWFHEYXYEMMWCF-NSHDSACASA-N -1 1 322.321 0.778 20 5 DCBDMM Cc1c[n+]([O-])c(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)cc1[N+](=O)[O-] ZINC001170213372 762567920 /nfs/dbraw/zinc/56/79/20/762567920.db2.gz FQPSJORDHBSWFK-UHFFFAOYSA-N -1 1 319.237 0.309 20 5 DCBDMM COc1cnc(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)cc1[N+](=O)[O-] ZINC001170219155 762570817 /nfs/dbraw/zinc/57/08/17/762570817.db2.gz YJWDVHMVAJIRCM-UHFFFAOYSA-N -1 1 319.237 0.771 20 5 DCBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@H](C2OCCO2)C1 ZINC001184324095 771776037 /nfs/dbraw/zinc/77/60/37/771776037.db2.gz DTLPFKNYMQCUSY-QMMMGPOBSA-N -1 1 309.278 0.530 20 5 DCBDMM O=C(c1cccc([N+](=O)[O-])c1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001321618467 946400145 /nfs/dbraw/zinc/40/01/45/946400145.db2.gz JFTOEGGISZMXNE-UHFFFAOYSA-N -1 1 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CCn1cc(S(=O)(=O)[N-]CCC[C@@H](C)O)c([N+](=O)[O-])n1 ZINC000433365352 271499033 /nfs/dbraw/zinc/49/90/33/271499033.db2.gz WVGZHEJPUORWJG-MRVPVSSYSA-N -1 1 306.344 0.251 20 5 DCBDMM COC(=O)[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CC1 ZINC000531207032 287771421 /nfs/dbraw/zinc/77/14/21/287771421.db2.gz VPEHEOLOOKIMIY-SECBINFHSA-N -1 1 315.307 0.220 20 5 DCBDMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CC1 ZINC000531207035 287771465 /nfs/dbraw/zinc/77/14/65/287771465.db2.gz VPEHEOLOOKIMIY-VIFPVBQESA-N -1 1 315.307 0.220 20 5 DCBDMM CN(CCN1CCCC1=O)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000562472547 288579118 /nfs/dbraw/zinc/57/91/18/288579118.db2.gz IMWYDUCVXBMFIG-UHFFFAOYSA-N -1 1 308.294 0.390 20 5 DCBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000376218951 304590719 /nfs/dbraw/zinc/59/07/19/304590719.db2.gz LVZJDCYYGRAGBO-NEPJUHHUSA-N -1 1 323.305 0.715 20 5 DCBDMM COC(=O)[C@@]1(F)CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000267878576 523838668 /nfs/dbraw/zinc/83/86/68/523838668.db2.gz WCKRYDHFUZDIFL-GFCCVEGCSA-N -1 1 313.241 0.423 20 5 DCBDMM Cc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000365675726 524901578 /nfs/dbraw/zinc/90/15/78/524901578.db2.gz MKTGUWYKWIAIIZ-SNVBAGLBSA-N -1 1 318.293 0.630 20 5 DCBDMM Cc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000365675725 524902042 /nfs/dbraw/zinc/90/20/42/524902042.db2.gz MKTGUWYKWIAIIZ-JTQLQIEISA-N -1 1 318.293 0.630 20 5 DCBDMM O=C(Nc1nnn[n-]1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000060380266 545656870 /nfs/dbraw/zinc/65/68/70/545656870.db2.gz TVSXIIHHVJNYFV-UHFFFAOYSA-N -1 1 300.238 0.546 20 5 DCBDMM O=C(Nc1nn[n-]n1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000060380266 545656877 /nfs/dbraw/zinc/65/68/77/545656877.db2.gz TVSXIIHHVJNYFV-UHFFFAOYSA-N -1 1 300.238 0.546 20 5 DCBDMM C[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1nnc[nH]1 ZINC000827694029 600833826 /nfs/dbraw/zinc/83/38/26/600833826.db2.gz ACZIDPXSJINXMJ-ZCFIWIBFSA-N -1 1 305.250 0.902 20 5 DCBDMM C[C@H](O)[C@@H]1CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000824689077 607561201 /nfs/dbraw/zinc/56/12/01/607561201.db2.gz JYVAQMUHAVFNAC-DTWKUNHWSA-N -1 1 319.325 0.767 20 5 DCBDMM C[C@H](O)[C@@H]1CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000824689077 607561204 /nfs/dbraw/zinc/56/12/04/607561204.db2.gz JYVAQMUHAVFNAC-DTWKUNHWSA-N -1 1 319.325 0.767 20 5 DCBDMM Cc1n[nH]c(C(=O)N2CC[C@H](NC(=O)[O-])C[C@@H]2C)c1[N+](=O)[O-] ZINC000829833102 605359640 /nfs/dbraw/zinc/35/96/40/605359640.db2.gz GCOBLFTYSKPFMK-XPUUQOCRSA-N -1 1 311.298 0.887 20 5 DCBDMM O=[N+]([O-])c1cc(N2CCC[C@@H](CO)C2)ccc1-c1nn[n-]n1 ZINC000823635327 606644573 /nfs/dbraw/zinc/64/45/73/606644573.db2.gz VVCSKBTYXWOGLT-SECBINFHSA-N -1 1 304.310 0.984 20 5 DCBDMM CN(C)C(=O)CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821575998 606699272 /nfs/dbraw/zinc/69/92/72/606699272.db2.gz XYUGCIBYCFBJQM-UHFFFAOYSA-N -1 1 306.286 0.060 20 5 DCBDMM CN(C)C(=O)CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821575998 606699274 /nfs/dbraw/zinc/69/92/74/606699274.db2.gz XYUGCIBYCFBJQM-UHFFFAOYSA-N -1 1 306.286 0.060 20 5 DCBDMM COC(=O)CCCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821660103 606702796 /nfs/dbraw/zinc/70/27/96/606702796.db2.gz GARCSGVUURISLH-UHFFFAOYSA-N -1 1 321.297 0.925 20 5 DCBDMM COC(=O)CCCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821660103 606702798 /nfs/dbraw/zinc/70/27/98/606702798.db2.gz GARCSGVUURISLH-UHFFFAOYSA-N -1 1 321.297 0.925 20 5 DCBDMM CCOC(=O)[C@@H](C)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821315782 606716625 /nfs/dbraw/zinc/71/66/25/606716625.db2.gz XKVYLZHODJAOPU-ZETCQYMHSA-N -1 1 321.297 0.781 20 5 DCBDMM CCOC(=O)[C@@H](C)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821315782 606716627 /nfs/dbraw/zinc/71/66/27/606716627.db2.gz XKVYLZHODJAOPU-ZETCQYMHSA-N -1 1 321.297 0.781 20 5 DCBDMM Cn1nccc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822709244 607167706 /nfs/dbraw/zinc/16/77/06/607167706.db2.gz IMPJWAIJFRLMCW-UHFFFAOYSA-N -1 1 301.270 0.516 20 5 DCBDMM Cn1nccc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822709244 607167707 /nfs/dbraw/zinc/16/77/07/607167707.db2.gz IMPJWAIJFRLMCW-UHFFFAOYSA-N -1 1 301.270 0.516 20 5 DCBDMM O=C1NCCCC[C@H]1Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000826483026 607840968 /nfs/dbraw/zinc/84/09/68/607840968.db2.gz YMZWFXKSHRCTDD-SNVBAGLBSA-N -1 1 317.309 0.856 20 5 DCBDMM O=C1NCCCC[C@H]1Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000826483026 607840969 /nfs/dbraw/zinc/84/09/69/607840969.db2.gz YMZWFXKSHRCTDD-SNVBAGLBSA-N -1 1 317.309 0.856 20 5 DCBDMM C[C@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC000896540775 662285348 /nfs/dbraw/zinc/28/53/48/662285348.db2.gz AKYSKDBDYCHLPH-HZMBPMFUSA-N -1 1 322.365 0.665 20 5 DCBDMM COc1ccc(C(=O)OCc2nc(=O)n(C)[n-]2)cc1[N+](=O)[O-] ZINC000765396680 668488093 /nfs/dbraw/zinc/48/80/93/668488093.db2.gz SQBANOHSESQLBS-UHFFFAOYSA-N -1 1 308.250 0.382 20 5 DCBDMM COc1ccc([N+](=O)[O-])cc1C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765413446 668488835 /nfs/dbraw/zinc/48/88/35/668488835.db2.gz GIKHLIPUJIBDHV-UHFFFAOYSA-N -1 1 308.250 0.382 20 5 DCBDMM O=C(NC[C@@H](O)c1cccnc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770657860 668704791 /nfs/dbraw/zinc/70/47/91/668704791.db2.gz OPODTQBSESEZMN-LLVKDONJSA-N -1 1 304.262 0.554 20 5 DCBDMM C[C@H](CN(C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1nn[n-]n1 ZINC000801950472 670146940 /nfs/dbraw/zinc/14/69/40/670146940.db2.gz WDXJBSXLJMBILL-ZCFIWIBFSA-N -1 1 323.288 0.705 20 5 DCBDMM CC[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)NC ZINC000832746121 671738793 /nfs/dbraw/zinc/73/87/93/671738793.db2.gz QZNCEFDRWCAFBS-QMMMGPOBSA-N -1 1 319.314 0.537 20 5 DCBDMM CCN(CC)C(=O)OCn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001577879993 1164823325 /nfs/dbraw/zinc/82/33/25/1164823325.db2.gz PVUTWYMXMWJHQY-UHFFFAOYSA-N -1 1 310.274 0.407 20 5 DCBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CNOC1 ZINC001580874968 1165749448 /nfs/dbraw/zinc/74/94/48/1165749448.db2.gz RFRMMBRSNJBRER-SSDOTTSWSA-N -1 1 307.715 0.430 20 5 DCBDMM O=C(CCCc1nn[n-]n1)NCCNc1ccccc1[N+](=O)[O-] ZINC001587372864 1166507263 /nfs/dbraw/zinc/50/72/63/1166507263.db2.gz BANMXCAZNBSICI-UHFFFAOYSA-N -1 1 319.325 0.659 20 5 DCBDMM C[C@@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CO1 ZINC001590206252 1166811831 /nfs/dbraw/zinc/81/18/31/1166811831.db2.gz GZAKEPRWCJUYRK-SVRRBLITSA-N -1 1 305.298 0.946 20 5 DCBDMM C[C@@H]1C[C@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CO1 ZINC001590206252 1166811841 /nfs/dbraw/zinc/81/18/41/1166811841.db2.gz GZAKEPRWCJUYRK-SVRRBLITSA-N -1 1 305.298 0.946 20 5 DCBDMM C[C@@H]1OCC[C@@]1(O)CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001590333882 1166871872 /nfs/dbraw/zinc/87/18/72/1166871872.db2.gz LLWKTESVRCPGEL-ISVAXAHUSA-N -1 1 320.309 0.727 20 5 DCBDMM C[C@@H]1OCC[C@@]1(O)CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001590333882 1166871876 /nfs/dbraw/zinc/87/18/76/1166871876.db2.gz LLWKTESVRCPGEL-ISVAXAHUSA-N -1 1 320.309 0.727 20 5 DCBDMM CN(C[C@H]1CCCO1)c1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591126382 1167110832 /nfs/dbraw/zinc/11/08/32/1167110832.db2.gz SVWUHPVOQAXSGP-SECBINFHSA-N -1 1 319.325 0.972 20 5 DCBDMM CN(C[C@H]1CCCO1)c1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591126382 1167110836 /nfs/dbraw/zinc/11/08/36/1167110836.db2.gz SVWUHPVOQAXSGP-SECBINFHSA-N -1 1 319.325 0.972 20 5 DCBDMM CN1C[C@@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1=O ZINC001591195561 1167145169 /nfs/dbraw/zinc/14/51/69/1167145169.db2.gz SKDYFNLNXQJFPR-QMMMGPOBSA-N -1 1 303.282 0.418 20 5 DCBDMM Nc1cc(NCC2(CO)CCC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592760302 1167634756 /nfs/dbraw/zinc/63/47/56/1167634756.db2.gz WKVYMCVXIDRPRP-UHFFFAOYSA-N -1 1 319.325 0.932 20 5 DCBDMM Nc1cc(NCC2(CO)CCC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592760302 1167634760 /nfs/dbraw/zinc/63/47/60/1167634760.db2.gz WKVYMCVXIDRPRP-UHFFFAOYSA-N -1 1 319.325 0.932 20 5 DCBDMM Nc1cc(N[C@H](CO)CCF)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592760275 1167635321 /nfs/dbraw/zinc/63/53/21/1167635321.db2.gz VSGVTHYASJCECE-LURJTMIESA-N -1 1 311.277 0.490 20 5 DCBDMM Nc1cc(N[C@H](CO)CCF)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592760275 1167635325 /nfs/dbraw/zinc/63/53/25/1167635325.db2.gz VSGVTHYASJCECE-LURJTMIESA-N -1 1 311.277 0.490 20 5 DCBDMM O=[N+]([O-])c1cc(N2C[C@H]3C[C@@]3(CO)C2)ccc1-c1nn[n-]n1 ZINC001593470272 1167857164 /nfs/dbraw/zinc/85/71/64/1167857164.db2.gz BLUGKCISLQQDST-OQPBUACISA-N -1 1 302.294 0.594 20 5 DCBDMM O=[N+]([O-])c1cn(Cc2nc3c(o2)CCCC3)nc1-c1nn[n-]n1 ZINC001593486414 1167866530 /nfs/dbraw/zinc/86/65/30/1167866530.db2.gz RSJOOMDLYVUPHD-UHFFFAOYSA-N -1 1 316.281 0.887 20 5 DCBDMM O=c1c(-c2nn[n-]n2)cncn1Cc1ccc([N+](=O)[O-])cc1F ZINC001593495104 1167879716 /nfs/dbraw/zinc/87/97/16/1167879716.db2.gz VISNWDUGBUYART-UHFFFAOYSA-N -1 1 317.240 0.519 20 5 DCBDMM O=c1cc(-c2nn[n-]n2)ncn1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001593495558 1167880090 /nfs/dbraw/zinc/88/00/90/1167880090.db2.gz IONAUFBOEUZRPS-UHFFFAOYSA-N -1 1 317.240 0.519 20 5 DCBDMM 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JTRPVJMMNZUUFR-MWLCHTKSSA-N -1 1 323.353 0.734 20 5 DCBDMM CN(C[C@@H]1CCOC1)c1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001604736231 1169666709 /nfs/dbraw/zinc/66/67/09/1169666709.db2.gz DHTAGOUFDGSQSV-QMMMGPOBSA-N -1 1 319.325 0.830 20 5 DCBDMM CN(C[C@@H]1CCOC1)c1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001604736231 1169666710 /nfs/dbraw/zinc/66/67/10/1169666710.db2.gz DHTAGOUFDGSQSV-QMMMGPOBSA-N -1 1 319.325 0.830 20 5 DCBDMM CNC(=O)[C@H](C)CN(C)c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001604872764 1169723464 /nfs/dbraw/zinc/72/34/64/1169723464.db2.gz VNYQFEHMNAYKDR-MRVPVSSYSA-N -1 1 319.325 0.593 20 5 DCBDMM CNC(=O)[C@H](C)CN(C)c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001604872764 1169723468 /nfs/dbraw/zinc/72/34/68/1169723468.db2.gz VNYQFEHMNAYKDR-MRVPVSSYSA-N -1 1 319.325 0.593 20 5 DCBDMM COC1(C)CN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001605014820 1169781599 /nfs/dbraw/zinc/78/15/99/1169781599.db2.gz CMUUDOLBSRHCQA-UHFFFAOYSA-N -1 1 305.298 0.582 20 5 DCBDMM COC1(C)CN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001605014820 1169781601 /nfs/dbraw/zinc/78/16/01/1169781601.db2.gz CMUUDOLBSRHCQA-UHFFFAOYSA-N -1 1 305.298 0.582 20 5 DCBDMM COC[C@@H](O)CCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001605059055 1169799801 /nfs/dbraw/zinc/79/98/01/1169799801.db2.gz JADITCONLXSJQC-VIFPVBQESA-N -1 1 308.298 0.584 20 5 DCBDMM COC[C@@H](O)CCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001605059055 1169799808 /nfs/dbraw/zinc/79/98/08/1169799808.db2.gz JADITCONLXSJQC-VIFPVBQESA-N -1 1 308.298 0.584 20 5 DCBDMM Cc1ccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)cc1[N+](=O)[O-] ZINC001605840518 1170009774 /nfs/dbraw/zinc/00/97/74/1170009774.db2.gz UUWVXBOHRJGSCK-UHFFFAOYSA-N -1 1 314.265 0.551 20 5 DCBDMM Cc1nc(C)c(C(=O)Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)o1 ZINC001606036127 1170062485 /nfs/dbraw/zinc/06/24/85/1170062485.db2.gz KEGPZJIJQWFCBB-UHFFFAOYSA-N -1 1 318.253 0.459 20 5 DCBDMM Cn1ncc([N+](=O)[O-])c1NC(=O)c1coc(-c2nnn[n-]2)c1 ZINC001606277405 1170145727 /nfs/dbraw/zinc/14/57/27/1170145727.db2.gz SUCQWZDJPJTTLA-UHFFFAOYSA-N -1 1 304.226 0.354 20 5 DCBDMM Cn1ncc([N+](=O)[O-])c1NC(=O)c1coc(-c2nn[n-]n2)c1 ZINC001606277405 1170145734 /nfs/dbraw/zinc/14/57/34/1170145734.db2.gz SUCQWZDJPJTTLA-UHFFFAOYSA-N -1 1 304.226 0.354 20 5 DCBDMM O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1ccc(-c2nnn[n-]2)nc1 ZINC001606902721 1170327474 /nfs/dbraw/zinc/32/74/74/1170327474.db2.gz ZCIYXCJBEPJKLT-UHFFFAOYSA-N -1 1 301.226 0.145 20 5 DCBDMM O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1ccc(-c2nn[n-]n2)nc1 ZINC001606902721 1170327477 /nfs/dbraw/zinc/32/74/77/1170327477.db2.gz ZCIYXCJBEPJKLT-UHFFFAOYSA-N -1 1 301.226 0.145 20 5 DCBDMM O=[N+]([O-])c1cc(NC[C@@H](O)[C@H]2CCCO2)ccc1-c1nn[n-]n1 ZINC001607079293 1170382389 /nfs/dbraw/zinc/38/23/89/1170382389.db2.gz FNLWQWMLKBUNLD-VXGBXAGGSA-N -1 1 320.309 0.727 20 5 DCBDMM O=[N+]([O-])c1ccccc1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001607084969 1170384226 /nfs/dbraw/zinc/38/42/26/1170384226.db2.gz GGUDYMIZNIFWRC-UHFFFAOYSA-N -1 1 312.293 0.641 20 5 DCBDMM O=C([O-])[C@@H](CCF)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001608535069 1170698525 /nfs/dbraw/zinc/69/85/25/1170698525.db2.gz HVGXYIKKZCCJOW-ZCFIWIBFSA-N -1 1 307.259 0.081 20 5 DCBDMM C[C@]1(CO)CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001609149178 1170825906 /nfs/dbraw/zinc/82/59/06/1170825906.db2.gz CGPCFDXVUZFOMB-ZDUSSCGKSA-N -1 1 319.325 0.769 20 5 DCBDMM C[C@]1(CO)CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001609149178 1170825917 /nfs/dbraw/zinc/82/59/17/1170825917.db2.gz CGPCFDXVUZFOMB-ZDUSSCGKSA-N -1 1 319.325 0.769 20 5 DCBDMM CC1(CO)CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001609150251 1170828017 /nfs/dbraw/zinc/82/80/17/1170828017.db2.gz TUIULFFXPRDNLO-UHFFFAOYSA-N -1 1 319.325 0.769 20 5 DCBDMM CC1(CO)CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001609150251 1170828024 /nfs/dbraw/zinc/82/80/24/1170828024.db2.gz TUIULFFXPRDNLO-UHFFFAOYSA-N -1 1 319.325 0.769 20 5 DCBDMM C[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC[C@H]1O ZINC001609176287 1170848450 /nfs/dbraw/zinc/84/84/50/1170848450.db2.gz QIONDGGTLCFZLI-VXNVDRBHSA-N -1 1 305.298 0.377 20 5 DCBDMM C[C@@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC[C@H]1O ZINC001609176287 1170848459 /nfs/dbraw/zinc/84/84/59/1170848459.db2.gz QIONDGGTLCFZLI-VXNVDRBHSA-N -1 1 305.298 0.377 20 5 DCBDMM O=[N+]([O-])c1cc(N2CCn3cnnc3C2)ccc1-c1nn[n-]n1 ZINC001609600987 1171039538 /nfs/dbraw/zinc/03/95/38/1171039538.db2.gz MULWIEBXQGOERD-UHFFFAOYSA-N -1 1 313.281 0.387 20 5 DCBDMM CNC(=O)NC1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC001638016417 1171785724 /nfs/dbraw/zinc/78/57/24/1171785724.db2.gz WCQJWUFPDGKKFF-UHFFFAOYSA-N -1 1 323.309 0.229 20 5 DCBDMM COC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1nn[n-]n1 ZINC001651843675 1173754108 /nfs/dbraw/zinc/75/41/08/1173754108.db2.gz ITSJGVMXTOTUTR-SNVBAGLBSA-N -1 1 306.282 0.154 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)C(C)(C)OC)c([N+](=O)[O-])n1 ZINC001664367839 1174425108 /nfs/dbraw/zinc/42/51/08/1174425108.db2.gz XOQDIRVVKMRQLL-QMMMGPOBSA-N -1 1 320.371 0.903 20 5 DCBDMM COc1ncnc(Nc2[n-]c(=O)nc3nc[nH]c32)c1[N+](=O)[O-] ZINC001159198828 771875580 /nfs/dbraw/zinc/87/55/80/771875580.db2.gz ZMCRADWOCMVCRK-UHFFFAOYSA-N -1 1 304.226 0.509 20 5 DCBDMM CN1CCN(C2CN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])C2)CC1 ZINC001256486148 946635650 /nfs/dbraw/zinc/63/56/50/946635650.db2.gz MMQAZYVEVIQTGE-UHFFFAOYSA-N -1 1 320.349 0.372 20 5 DCBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(F)(F)[C@@H](CO)C1 ZINC001261212719 947219001 /nfs/dbraw/zinc/21/90/01/947219001.db2.gz JQNORXPIHXSMDK-MRVPVSSYSA-N -1 1 317.248 0.785 20 5 DCBDMM C[C@@H](N[C@@H]1CCN(CC(=O)[O-])C1=O)c1cccc([N+](=O)[O-])c1 ZINC001589122334 956134814 /nfs/dbraw/zinc/13/48/14/956134814.db2.gz CAAMTWNEKUJOHO-BXKDBHETSA-N -1 1 307.306 0.931 20 5 DCBDMM COC(=O)C(F)(F)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001309922325 960215999 /nfs/dbraw/zinc/21/59/99/960215999.db2.gz BZZKASMOEDDKOV-UHFFFAOYSA-N -1 1 324.261 0.681 20 5 DCBDMM O=C(CCCc1nn[n-]n1)NCCc1ccccc1[N+](=O)[O-] ZINC001448748546 1014021517 /nfs/dbraw/zinc/02/15/17/1014021517.db2.gz IZDPOJBVMUGGNO-UHFFFAOYSA-N -1 1 304.310 0.790 20 5 DCBDMM COC[C@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1nn[n-]n1 ZINC001558340210 1012347804 /nfs/dbraw/zinc/34/78/04/1012347804.db2.gz YDMLHVLSVYRTKT-KCJUWKMLSA-N -1 1 320.309 0.715 20 5 DCBDMM C[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ncc[nH]1 ZINC001561748735 1012475388 /nfs/dbraw/zinc/47/53/88/1012475388.db2.gz PYPWWMGDMJCOMC-ZCFIWIBFSA-N -1 1 300.300 0.091 20 5 DCBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000274991931 212061436 /nfs/dbraw/zinc/06/14/36/212061436.db2.gz RUATYSQCPHPONO-ZJUUUORDSA-N -1 1 320.305 0.579 20 5 DCBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN2C(=O)CC[C@H]2C1 ZINC000332599088 296283641 /nfs/dbraw/zinc/28/36/41/296283641.db2.gz HPXBFPVXXCQXSC-VIFPVBQESA-N -1 1 306.278 0.142 20 5 DCBDMM CC[C@@H](CCO)[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000339038773 253024479 /nfs/dbraw/zinc/02/44/79/253024479.db2.gz ALEPUYKQLYVCAG-QMMMGPOBSA-N -1 1 306.344 0.251 20 5 DCBDMM Cc1nn(C)c(C(=O)NC2(c3nn[n-]n3)CCCC2)c1[N+](=O)[O-] ZINC000346333143 254038021 /nfs/dbraw/zinc/03/80/21/254038021.db2.gz PWXZHSJXMXNUEL-UHFFFAOYSA-N -1 1 320.313 0.349 20 5 DCBDMM COC(=O)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)[C@H]1C ZINC000349087492 254273298 /nfs/dbraw/zinc/27/32/98/254273298.db2.gz YJTZXKXNNUPNOK-CBAPKCEASA-N -1 1 309.278 0.719 20 5 DCBDMM O=C(NCCCN1CCOCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000298090104 132046179 /nfs/dbraw/zinc/04/61/79/132046179.db2.gz PPGOMUJWVRKYMW-UHFFFAOYSA-N -1 1 310.310 0.148 20 5 DCBDMM O=C(NCc1nncn1C1CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000113986413 395832448 /nfs/dbraw/zinc/83/24/48/395832448.db2.gz QUKKMWJBUSXSSB-UHFFFAOYSA-N -1 1 304.266 0.552 20 5 DCBDMM COC[C@@H](O)CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000231600409 395884199 /nfs/dbraw/zinc/88/41/99/395884199.db2.gz QLLAADXLNHHCLE-QMMMGPOBSA-N -1 1 322.314 0.410 20 5 DCBDMM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NN1CC(=O)[N-]C1=O ZINC000276920499 396037308 /nfs/dbraw/zinc/03/73/08/396037308.db2.gz SSDXIQIRZMEWOR-UHFFFAOYSA-N -1 1 307.266 0.800 20 5 DCBDMM COC(=O)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@@H]1C ZINC000276682861 396021384 /nfs/dbraw/zinc/02/13/84/396021384.db2.gz OZDSCYWQYRLTNZ-WCBMZHEXSA-N -1 1 323.305 0.967 20 5 DCBDMM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278131341 396107564 /nfs/dbraw/zinc/10/75/64/396107564.db2.gz MVHCCCFSJKLUEP-PXMPENCTSA-N -1 1 313.335 0.677 20 5 DCBDMM O=C(Cc1cccc([N+](=O)[O-])c1)NCCCc1nc(=O)[n-][nH]1 ZINC000176269931 396153078 /nfs/dbraw/zinc/15/30/78/396153078.db2.gz UTURLVZAJXFKHA-UHFFFAOYSA-N -1 1 305.294 0.298 20 5 DCBDMM CC(C)S(=O)(=O)CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000290706445 396470634 /nfs/dbraw/zinc/47/06/34/396470634.db2.gz TYTFHVAKYZNJAU-UHFFFAOYSA-N -1 1 317.323 0.248 20 5 DCBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1(CO)CC1 ZINC000594825781 396522832 /nfs/dbraw/zinc/52/28/32/396522832.db2.gz APSOJFNLKXBNAA-QMMMGPOBSA-N -1 1 301.324 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524619768 /nfs/dbraw/zinc/61/97/68/524619768.db2.gz FECQZHANMJUHPK-NSHDSACASA-N -1 1 322.365 0.666 20 5 DCBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000366051453 526630069 /nfs/dbraw/zinc/63/00/69/526630069.db2.gz CGIQKINKTWJWDQ-SNVBAGLBSA-N -1 1 322.321 0.242 20 5 DCBDMM O=C([O-])C[C@@H]1CSCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000833222050 601886838 /nfs/dbraw/zinc/88/68/38/601886838.db2.gz RSDFSQRFHOQEPW-SECBINFHSA-N -1 1 300.340 0.683 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@H](CO)C1 ZINC000823621047 607161424 /nfs/dbraw/zinc/16/14/24/607161424.db2.gz VYAMBLTZIZIMKC-QMMMGPOBSA-N -1 1 305.298 0.379 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@H](CO)C1 ZINC000823621047 607161425 /nfs/dbraw/zinc/16/14/25/607161425.db2.gz VYAMBLTZIZIMKC-QMMMGPOBSA-N -1 1 305.298 0.379 20 5 DCBDMM C[C@H](Cn1cccn1)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820308135 607168267 /nfs/dbraw/zinc/16/82/67/607168267.db2.gz RXFUCDLMOUDUKH-MRVPVSSYSA-N -1 1 315.297 0.867 20 5 DCBDMM C[C@H](Cn1cccn1)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820308135 607168268 /nfs/dbraw/zinc/16/82/68/607168268.db2.gz RXFUCDLMOUDUKH-MRVPVSSYSA-N -1 1 315.297 0.867 20 5 DCBDMM O=C1NCCCC[C@H]1Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000826482537 607840787 /nfs/dbraw/zinc/84/07/87/607840787.db2.gz IKSBBTOILDSYRA-SNVBAGLBSA-N -1 1 317.309 0.856 20 5 DCBDMM C[C@]1(O)CCCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000824843834 608304334 /nfs/dbraw/zinc/30/43/34/608304334.db2.gz LBWSABSYCUULIV-LBPRGKRZSA-N -1 1 305.298 0.521 20 5 DCBDMM C[C@]1(O)CCCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000824843834 608304336 /nfs/dbraw/zinc/30/43/36/608304336.db2.gz LBWSABSYCUULIV-LBPRGKRZSA-N -1 1 305.298 0.521 20 5 DCBDMM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])[C@H]1CN(C)CCN1C ZINC000896556329 662290283 /nfs/dbraw/zinc/29/02/83/662290283.db2.gz PARRCZQJMXPRAU-ZWNOBZJWSA-N -1 1 322.365 0.665 20 5 DCBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C(=O)O1 ZINC000914577215 664805142 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CNC(=O)NC(=O)[C@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769046062 668630788 /nfs/dbraw/zinc/63/07/88/668630788.db2.gz GFOZGGASQBXYDL-LURJTMIESA-N -1 1 311.250 0.301 20 5 DCBDMM O=C(NCCOc1cccnc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770492485 668696043 /nfs/dbraw/zinc/69/60/43/668696043.db2.gz JLCXSADZUPXSNF-UHFFFAOYSA-N -1 1 304.262 0.899 20 5 DCBDMM COC(=O)C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CC1 ZINC000770600690 668701844 /nfs/dbraw/zinc/70/18/44/668701844.db2.gz KVNKSHRISBXTTK-VIFPVBQESA-N -1 1 309.278 0.767 20 5 DCBDMM CCn1ncn([N-]C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c1=O ZINC000816735502 670853644 /nfs/dbraw/zinc/85/36/44/670853644.db2.gz KWRQMJSXEKVADW-UHFFFAOYSA-N -1 1 309.286 0.203 20 5 DCBDMM O=C1C[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CO1 ZINC000820719808 671221641 /nfs/dbraw/zinc/22/16/41/671221641.db2.gz CJMMVOMSANJMGM-LURJTMIESA-N -1 1 304.255 0.328 20 5 DCBDMM C[C@H](C[S@@](C)=O)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001589890747 1166710184 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1167390160 /nfs/dbraw/zinc/39/01/60/1167390160.db2.gz HAAYWAWFNQGRJN-UHFFFAOYSA-N -1 1 301.270 0.814 20 5 DCBDMM Cc1c[nH]c(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1 ZINC001591832696 1167390165 /nfs/dbraw/zinc/39/01/65/1167390165.db2.gz HAAYWAWFNQGRJN-UHFFFAOYSA-N -1 1 301.270 0.814 20 5 DCBDMM Cc1cc(=O)n(Cc2nc(-c3nnn[n-]3)cs2)cc1[N+](=O)[O-] ZINC001591903561 1167416288 /nfs/dbraw/zinc/41/62/88/1167416288.db2.gz UZGKHOUBUMSJRT-UHFFFAOYSA-N -1 1 319.306 0.750 20 5 DCBDMM Cc1cc(=O)n(Cc2nc(-c3nn[n-]n3)cs2)cc1[N+](=O)[O-] ZINC001591903561 1167416292 /nfs/dbraw/zinc/41/62/92/1167416292.db2.gz UZGKHOUBUMSJRT-UHFFFAOYSA-N -1 1 319.306 0.750 20 5 DCBDMM Cc1cc(N2C[C@H]3C[C@@]3(O)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591999298 1167431991 /nfs/dbraw/zinc/43/19/91/1167431991.db2.gz CUTRYADDIYLGQA-AMIZOPFISA-N -1 1 302.294 0.654 20 5 DCBDMM Cc1cc(N2C[C@H]3C[C@@]3(O)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591999298 1167431994 /nfs/dbraw/zinc/43/19/94/1167431994.db2.gz CUTRYADDIYLGQA-AMIZOPFISA-N -1 1 302.294 0.654 20 5 DCBDMM Cc1nc(CCn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)cs1 ZINC001592359384 1167503621 /nfs/dbraw/zinc/50/36/21/1167503621.db2.gz GHOIHCNZSGMZQF-UHFFFAOYSA-N -1 1 306.311 0.979 20 5 DCBDMM NC(=O)[C@H]1CC[C@@H](Nc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001592735210 1167621263 /nfs/dbraw/zinc/62/12/63/1167621263.db2.gz KUPQKYNMVQLFQX-JGVFFNPUSA-N -1 1 317.309 0.841 20 5 DCBDMM NC(=O)[C@H]1CC[C@@H](Nc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001592735210 1167621267 /nfs/dbraw/zinc/62/12/67/1167621267.db2.gz KUPQKYNMVQLFQX-JGVFFNPUSA-N -1 1 317.309 0.841 20 5 DCBDMM O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1c[nH]nc1-c1nn[n-]n1 ZINC001592919666 1167665289 /nfs/dbraw/zinc/66/52/89/1167665289.db2.gz KPWWUKHBYZNGRF-UHFFFAOYSA-N -1 1 314.265 0.679 20 5 DCBDMM O=C1C[C@@H](CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CN1 ZINC001593386732 1167798524 /nfs/dbraw/zinc/79/85/24/1167798524.db2.gz UIRAZMYFVKFZSV-ZETCQYMHSA-N -1 1 303.282 0.323 20 5 DCBDMM O=C1C[C@@H](CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CN1 ZINC001593386732 1167798530 /nfs/dbraw/zinc/79/85/30/1167798530.db2.gz UIRAZMYFVKFZSV-ZETCQYMHSA-N -1 1 303.282 0.323 20 5 DCBDMM O=C1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CCN1 ZINC001593394627 1167808635 /nfs/dbraw/zinc/80/86/35/1167808635.db2.gz SGXAJVZEUNUDKW-UHFFFAOYSA-N -1 1 303.282 0.101 20 5 DCBDMM O=C1CC[C@@H](CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)N1 ZINC001593395832 1167809890 /nfs/dbraw/zinc/80/98/90/1167809890.db2.gz VCXMDOPUGVQAFV-QMMMGPOBSA-N -1 1 303.282 0.465 20 5 DCBDMM O=[N+]([O-])c1c(NCCCn2cncn2)cccc1-c1nnn[n-]1 ZINC001593464986 1167855328 /nfs/dbraw/zinc/85/53/28/1167855328.db2.gz DISJOVHIMHZJBX-UHFFFAOYSA-N -1 1 315.297 0.869 20 5 DCBDMM O=[N+]([O-])c1c(NCCCn2cncn2)cccc1-c1nn[n-]n1 ZINC001593464986 1167855338 /nfs/dbraw/zinc/85/53/38/1167855338.db2.gz DISJOVHIMHZJBX-UHFFFAOYSA-N -1 1 315.297 0.869 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CC[C@@H](O)[C@@H](F)C1 ZINC001593466918 1167858002 /nfs/dbraw/zinc/85/80/02/1167858002.db2.gz PJZZKXPJFHNUGN-WCBMZHEXSA-N 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/nfs/dbraw/zinc/45/36/56/416453656.db2.gz GCQGNBYATLMECK-VIFPVBQESA-N -1 1 303.340 0.675 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccccn2)c([N+](=O)[O-])n1 ZINC000435798309 416536736 /nfs/dbraw/zinc/53/67/36/416536736.db2.gz MLZRRERKDYPBCV-UHFFFAOYSA-N -1 1 311.323 0.685 20 5 DCBDMM Cn1cnc([N+](=O)[O-])c1CS(=O)(=O)c1n[n-]c(C2CC2)n1 ZINC000437146665 416580743 /nfs/dbraw/zinc/58/07/43/416580743.db2.gz KRYPOBCTJODQQD-UHFFFAOYSA-N -1 1 312.311 0.298 20 5 DCBDMM Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000541856283 416615483 /nfs/dbraw/zinc/61/54/83/416615483.db2.gz DDGMOJXYIHPFNM-QMMMGPOBSA-N -1 1 317.309 0.710 20 5 DCBDMM C[C@H](C[S@](C)=O)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000542239947 416622409 /nfs/dbraw/zinc/62/24/09/416622409.db2.gz KGKYXFLYPLAQSN-MDTSDYNXSA-N -1 1 307.353 0.035 20 5 DCBDMM CC[C@H]1CN(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCO1 ZINC000428074264 416875809 /nfs/dbraw/zinc/87/58/09/416875809.db2.gz DUQJCEUSRLLTIJ-NSHDSACASA-N -1 1 324.337 0.536 20 5 DCBDMM COCC[C@@]1(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCOC1 ZINC000446960566 416954143 /nfs/dbraw/zinc/95/41/43/416954143.db2.gz ZKOBDCWDAJEHAL-CYBMUJFWSA-N -1 1 311.294 0.621 20 5 DCBDMM CCN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000530494233 417580082 /nfs/dbraw/zinc/58/00/82/417580082.db2.gz RLVQALYOIOFWLY-QMMMGPOBSA-N -1 1 316.339 0.135 20 5 DCBDMM C[C@]1(CO)CCC[C@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000535358056 287832503 /nfs/dbraw/zinc/83/25/03/287832503.db2.gz FCOBZXIRJSMUTR-ZYHUDNBSSA-N -1 1 315.351 0.819 20 5 DCBDMM C[C@@H](CC[S@](C)=O)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000267062505 524521978 /nfs/dbraw/zinc/52/19/78/524521978.db2.gz ACNSGCXOPNCMQU-JKNYTWMOSA-N -1 1 301.324 0.582 20 5 DCBDMM Nc1c(-c2nn[n-]n2)cnn1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000822902940 599316514 /nfs/dbraw/zinc/31/65/14/599316514.db2.gz FRCWCCGZLCMQHT-UHFFFAOYSA-N -1 1 314.265 0.437 20 5 DCBDMM CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825333464 607575669 /nfs/dbraw/zinc/57/56/69/607575669.db2.gz ZKNFZGDBIDWNMD-UHFFFAOYSA-N -1 1 312.311 0.463 20 5 DCBDMM C[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1cn(CC(=O)[O-])nn1 ZINC000827860205 604699319 /nfs/dbraw/zinc/69/93/19/604699319.db2.gz BEJSUBSPNADOGK-LURJTMIESA-N -1 1 309.238 0.517 20 5 DCBDMM O=C([O-])[C@@H](O)C1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000833770867 605005232 /nfs/dbraw/zinc/00/52/32/605005232.db2.gz PUCHDYUCQSVBIF-KGLIPLIRSA-N -1 1 324.333 0.786 20 5 DCBDMM CN(c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1=O ZINC000821622305 606645454 /nfs/dbraw/zinc/64/54/54/606645454.db2.gz YROWHWUDGAAGMH-JTQLQIEISA-N -1 1 317.309 0.442 20 5 DCBDMM C[C@@](O)(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])C1CC1 ZINC000820467167 606709202 /nfs/dbraw/zinc/70/92/02/606709202.db2.gz BGUDNPQNUOIZIT-GFCCVEGCSA-N -1 1 305.298 0.743 20 5 DCBDMM C[C@@](O)(CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])C1CC1 ZINC000820467167 606709204 /nfs/dbraw/zinc/70/92/04/606709204.db2.gz BGUDNPQNUOIZIT-GFCCVEGCSA-N -1 1 305.298 0.743 20 5 DCBDMM CC(C)NC(=O)CN(C)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820132360 607163966 /nfs/dbraw/zinc/16/39/66/607163966.db2.gz INBLGKDTVRMWNI-UHFFFAOYSA-N -1 1 320.313 0.131 20 5 DCBDMM CC(C)NC(=O)CN(C)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820132360 607163967 /nfs/dbraw/zinc/16/39/67/607163967.db2.gz INBLGKDTVRMWNI-UHFFFAOYSA-N -1 1 320.313 0.131 20 5 DCBDMM C[C@@H](C[S@](C)=O)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000824447942 609599567 /nfs/dbraw/zinc/59/95/67/609599567.db2.gz DWAAJYQVJWPQCJ-WERWIIQRSA-N -1 1 311.327 0.349 20 5 DCBDMM C[C@@H](C[S@](C)=O)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000824447942 609599570 /nfs/dbraw/zinc/59/95/70/609599570.db2.gz DWAAJYQVJWPQCJ-WERWIIQRSA-N -1 1 311.327 0.349 20 5 DCBDMM C[C@H](C[S@](C)=O)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000824447940 609599848 /nfs/dbraw/zinc/59/98/48/609599848.db2.gz DWAAJYQVJWPQCJ-GOWBUHPOSA-N -1 1 311.327 0.349 20 5 DCBDMM C[C@H](C[S@](C)=O)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000824447940 609599850 /nfs/dbraw/zinc/59/98/50/609599850.db2.gz DWAAJYQVJWPQCJ-GOWBUHPOSA-N -1 1 311.327 0.349 20 5 DCBDMM O=c1ccc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n[nH]1 ZINC000227884113 664540578 /nfs/dbraw/zinc/54/05/78/664540578.db2.gz JHSLVAJWYBAGPW-UHFFFAOYSA-N -1 1 314.254 0.618 20 5 DCBDMM Cc1c(C(=O)NCc2nn[n-]n2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000732158323 664906367 /nfs/dbraw/zinc/90/63/67/664906367.db2.gz ZEKYTPNEMNQGTE-UHFFFAOYSA-N -1 1 321.253 0.563 20 5 DCBDMM O=C1OCC[C@@H]1[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000758981243 668202991 /nfs/dbraw/zinc/20/29/91/668202991.db2.gz RZXJWWQCMFQWBW-VIFPVBQESA-N -1 1 300.292 0.330 20 5 DCBDMM COc1cc([N+](=O)[O-])ccc1NC(=O)NN1CC(=O)[N-]C1=O ZINC000770740509 668710588 /nfs/dbraw/zinc/71/05/88/668710588.db2.gz PNZLVPFCZBTDSS-UHFFFAOYSA-N -1 1 309.238 0.192 20 5 DCBDMM COc1ccc([N+](=O)[O-])cc1NC(=O)NN1CC(=O)[N-]C1=O ZINC000789831447 669512800 /nfs/dbraw/zinc/51/28/00/669512800.db2.gz PUDQOLNHSZEVDR-UHFFFAOYSA-N -1 1 309.238 0.192 20 5 DCBDMM O=C(NCCS(=O)(=O)C1CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000839854985 670007481 /nfs/dbraw/zinc/00/74/81/670007481.db2.gz ASZPURIIALCXIX-UHFFFAOYSA-N -1 1 315.307 0.002 20 5 DCBDMM CC1(C)C[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C(=O)O1 ZINC000824795750 671440430 /nfs/dbraw/zinc/44/04/30/671440430.db2.gz CKIUTPHHBPBVDG-SSDOTTSWSA-N -1 1 319.281 0.676 20 5 DCBDMM CC1(C)C[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C(=O)O1 ZINC000824795750 671440431 /nfs/dbraw/zinc/44/04/31/671440431.db2.gz CKIUTPHHBPBVDG-SSDOTTSWSA-N -1 1 319.281 0.676 20 5 DCBDMM C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000827375511 671525408 /nfs/dbraw/zinc/52/54/08/671525408.db2.gz YDCZKRHCDLENBH-SECBINFHSA-N -1 1 310.310 0.544 20 5 DCBDMM CCOC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000134394978 685121067 /nfs/dbraw/zinc/12/10/67/685121067.db2.gz OHCUSQUGVGPUNG-SSDOTTSWSA-N -1 1 320.298 0.964 20 5 DCBDMM CN1C[C@@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1=O ZINC001591169465 1167124199 /nfs/dbraw/zinc/12/41/99/1167124199.db2.gz AFUHNECYIVYXKV-YFKPBYRVSA-N -1 1 309.311 0.479 20 5 DCBDMM CN1C[C@@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1=O ZINC001591169465 1167124202 /nfs/dbraw/zinc/12/42/02/1167124202.db2.gz AFUHNECYIVYXKV-YFKPBYRVSA-N -1 1 309.311 0.479 20 5 DCBDMM CNC(=O)C[C@H](C)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591203680 1167153328 /nfs/dbraw/zinc/15/33/28/1167153328.db2.gz DVCHILCCXMAFDB-LURJTMIESA-N -1 1 306.286 0.106 20 5 DCBDMM CNC(=O)C[C@H](C)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591203680 1167153332 /nfs/dbraw/zinc/15/33/32/1167153332.db2.gz DVCHILCCXMAFDB-LURJTMIESA-N -1 1 306.286 0.106 20 5 DCBDMM COC(=O)CCCN(C)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591262377 1167186174 /nfs/dbraw/zinc/18/61/74/1167186174.db2.gz RTTOPNSENSEZOE-UHFFFAOYSA-N -1 1 321.297 0.559 20 5 DCBDMM COC(=O)CCCN(C)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591262377 1167186177 /nfs/dbraw/zinc/18/61/77/1167186177.db2.gz RTTOPNSENSEZOE-UHFFFAOYSA-N -1 1 321.297 0.559 20 5 DCBDMM Cc1c([N+](=O)[O-])ccc(=O)n1Cc1ccc(-c2nnn[n-]2)o1 ZINC001591829901 1167387338 /nfs/dbraw/zinc/38/73/38/1167387338.db2.gz BOWPGCATTQTIPC-UHFFFAOYSA-N -1 1 302.250 0.886 20 5 DCBDMM Cc1c([N+](=O)[O-])ccc(=O)n1Cc1ccc(-c2nn[n-]n2)o1 ZINC001591829901 1167387344 /nfs/dbraw/zinc/38/73/44/1167387344.db2.gz BOWPGCATTQTIPC-UHFFFAOYSA-N -1 1 302.250 0.886 20 5 DCBDMM Cc1nn(C)c(NC(=O)c2ccc([N+](=O)[O-])o2)c1-c1nnn[n-]1 ZINC001592432967 1167520199 /nfs/dbraw/zinc/52/01/99/1167520199.db2.gz NQLWDYLJZZSXIC-UHFFFAOYSA-N -1 1 318.253 0.662 20 5 DCBDMM Cc1nn(C)c(NC(=O)c2ccc([N+](=O)[O-])o2)c1-c1nn[n-]n1 ZINC001592432967 1167520203 /nfs/dbraw/zinc/52/02/03/1167520203.db2.gz NQLWDYLJZZSXIC-UHFFFAOYSA-N -1 1 318.253 0.662 20 5 DCBDMM Nc1cc(N2CC[C@@H](CO)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759873 1167636115 /nfs/dbraw/zinc/63/61/15/1167636115.db2.gz JBQCORYUIAUSGH-SSDOTTSWSA-N -1 1 305.298 0.176 20 5 DCBDMM Nc1cc(N2CC[C@@H](CO)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759873 1167636120 /nfs/dbraw/zinc/63/61/20/1167636120.db2.gz JBQCORYUIAUSGH-SSDOTTSWSA-N -1 1 305.298 0.176 20 5 DCBDMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC001593259982 1167747962 /nfs/dbraw/zinc/74/79/62/1167747962.db2.gz GJEXCZMGYGPEPJ-UHFFFAOYSA-N -1 1 300.238 0.750 20 5 DCBDMM O=CN1CCCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001593413973 1167827718 /nfs/dbraw/zinc/82/77/18/1167827718.db2.gz FEWQDXJKDRVGQO-UHFFFAOYSA-N -1 1 317.309 0.443 20 5 DCBDMM O=CN1CCCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001593413973 1167827728 /nfs/dbraw/zinc/82/77/28/1167827728.db2.gz FEWQDXJKDRVGQO-UHFFFAOYSA-N -1 1 317.309 0.443 20 5 DCBDMM Cc1cccc(C(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC001600510488 1168193725 /nfs/dbraw/zinc/19/37/25/1168193725.db2.gz LSARHRFVJRZDSO-LLVKDONJSA-N -1 1 321.333 0.992 20 5 DCBDMM O=C([O-])Cc1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC001602119888 1168998417 /nfs/dbraw/zinc/99/84/17/1168998417.db2.gz LXGXYZLBHNZVQZ-UHFFFAOYSA-N -1 1 304.262 0.875 20 5 DCBDMM O=C([O-])c1ccc(OCCNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC001602391086 1169068279 /nfs/dbraw/zinc/06/82/79/1169068279.db2.gz PQJVXVLXLZEDIC-UHFFFAOYSA-N -1 1 320.261 0.825 20 5 DCBDMM CC[C@@]1(O)CCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001604094452 1169491440 /nfs/dbraw/zinc/49/14/40/1169491440.db2.gz ZZTMVEVUKRRBDD-CYBMUJFWSA-N -1 1 319.325 0.708 20 5 DCBDMM CC[C@@]1(O)CCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001604094452 1169491442 /nfs/dbraw/zinc/49/14/42/1169491442.db2.gz ZZTMVEVUKRRBDD-CYBMUJFWSA-N -1 1 319.325 0.708 20 5 DCBDMM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CCN1CCC(=O)[O-] ZINC001604781289 1169679343 /nfs/dbraw/zinc/67/93/43/1169679343.db2.gz XYMLKKWGTOQBTD-SNVBAGLBSA-N -1 1 324.337 0.554 20 5 DCBDMM Nc1cc(N2CC[C@](F)(CO)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001606451806 1170207510 /nfs/dbraw/zinc/20/75/10/1170207510.db2.gz ZNTQNZOJLXKJKE-GFCCVEGCSA-N -1 1 323.288 0.268 20 5 DCBDMM Nc1cc(N2CC[C@](F)(CO)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001606451806 1170207514 /nfs/dbraw/zinc/20/75/14/1170207514.db2.gz ZNTQNZOJLXKJKE-GFCCVEGCSA-N -1 1 323.288 0.268 20 5 DCBDMM O=C([O-])[C@H](CCF)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001608535068 1170698359 /nfs/dbraw/zinc/69/83/59/1170698359.db2.gz HVGXYIKKZCCJOW-LURJTMIESA-N -1 1 307.259 0.081 20 5 DCBDMM O=C([O-])[C@@H]1OCC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001608815592 1170760399 /nfs/dbraw/zinc/76/03/99/1170760399.db2.gz KIOWNHYEWYFORU-JOYOIKCWSA-N -1 1 306.278 0.803 20 5 DCBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2[C@H](CO)CC[C@H]2CO)c1 ZINC001608914130 1170771744 /nfs/dbraw/zinc/77/17/44/1170771744.db2.gz BIIZKOPILRTKOZ-RYUDHWBXSA-N -1 1 310.306 0.611 20 5 DCBDMM CC[C@H]1CN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C[C@H]1O ZINC001609202440 1170867229 /nfs/dbraw/zinc/86/72/29/1170867229.db2.gz HYMGXYAEVQBQRH-QPUJVOFHSA-N -1 1 304.310 0.982 20 5 DCBDMM O=[N+]([O-])c1ccc(NCCn2cnc(-c3nn[n-]n3)n2)c(F)c1 ZINC001609601962 1171040741 /nfs/dbraw/zinc/04/07/41/1171040741.db2.gz JYXPJSWYKOUTEK-UHFFFAOYSA-N -1 1 319.260 0.618 20 5 DCBDMM C[C@@H](C(=O)NCC(=O)[O-])N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001609635532 1171056970 /nfs/dbraw/zinc/05/69/70/1171056970.db2.gz ZZAZWHHEFDCWNE-JTQLQIEISA-N -1 1 309.322 0.658 20 5 DCBDMM COC(=O)N[C@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC001644525530 1172009216 /nfs/dbraw/zinc/00/92/16/1172009216.db2.gz FCYWMNSEVMYZGP-QMMMGPOBSA-N -1 1 310.266 0.266 20 5 DCBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1COC[C@@H]1O ZINC001656306399 1173857183 /nfs/dbraw/zinc/85/71/83/1173857183.db2.gz OFWAPGAVTAXGDR-APPZFPTMSA-N -1 1 322.726 0.286 20 5 DCBDMM O=C(N[C@H]1CCC2(C1)OCCO2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001137864454 768393146 /nfs/dbraw/zinc/39/31/46/768393146.db2.gz VFEQDLILKRHZAU-VIFPVBQESA-N -1 1 309.278 0.721 20 5 DCBDMM O=C(NCc1ncc2c(n1)CCC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001142022000 768607579 /nfs/dbraw/zinc/60/75/79/768607579.db2.gz TUVZBOYYWCANFO-UHFFFAOYSA-N -1 1 315.289 0.904 20 5 DCBDMM O=C(N[C@@H](CO)[C@@H]1CCCOC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001142201792 768627078 /nfs/dbraw/zinc/62/70/78/768627078.db2.gz AOYIXXFOCVDASJ-SCZZXKLOSA-N -1 1 311.294 0.213 20 5 DCBDMM CC(C)c1nc(C(N)=O)c(O[C@@H](C[N+](=O)[O-])C2CC2)c(=O)[n-]1 ZINC001234564334 769689165 /nfs/dbraw/zinc/68/91/65/769689165.db2.gz CHBCRJQRXFXWAQ-QMMMGPOBSA-N -1 1 310.310 0.839 20 5 DCBDMM CN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1nn[n-]n1 ZINC001532085536 1015260583 /nfs/dbraw/zinc/26/05/83/1015260583.db2.gz QAWJMRBAOHSUPK-UHFFFAOYSA-N -1 1 302.254 0.121 20 5 DCBDMM CN(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC001598234025 990950588 /nfs/dbraw/zinc/95/05/88/990950588.db2.gz NQWZCJXCMVAMAD-UHFFFAOYSA-N -1 1 317.323 0.133 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-]C2CC(CCO)C2)c([N+](=O)[O-])n1 ZINC001464782756 1015946816 /nfs/dbraw/zinc/94/68/16/1015946816.db2.gz VBGOQKVQSGDXLU-UHFFFAOYSA-N -1 1 318.355 0.251 20 5 DCBDMM O=C(NCCc1n[n-]c(=S)o1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001467315436 1016156208 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0.230 20 5 DCBDMM CCCc1[nH]nc(C(=O)[N-]n2cnn(CC)c2=O)c1[N+](=O)[O-] ZINC000816736221 670853800 /nfs/dbraw/zinc/85/38/00/670853800.db2.gz NYFZTTWNMDPEBJ-UHFFFAOYSA-N -1 1 309.286 0.032 20 5 DCBDMM Cc1ccc(CS(=O)(=O)[N-]C(=O)[C@@H]2CC2[N+](=O)[O-])c(F)c1 ZINC000842345132 672007119 /nfs/dbraw/zinc/00/71/19/672007119.db2.gz DUFFHIDEZNNDQP-MWLCHTKSSA-N -1 1 316.310 0.745 20 5 DCBDMM O=C([N-]S(=O)(=O)Cc1cccc(F)c1F)[C@@H]1CC1[N+](=O)[O-] ZINC000842875869 672044422 /nfs/dbraw/zinc/04/44/22/672044422.db2.gz MESINCRKXAGMTO-VXNVDRBHSA-N -1 1 320.273 0.576 20 5 DCBDMM Cc1nnsc1[C@H](C)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001581621913 1165852571 /nfs/dbraw/zinc/85/25/71/1165852571.db2.gz IUBCEELMGXWFSZ-YFKPBYRVSA-N -1 1 307.299 0.741 20 5 DCBDMM Cc1noc(Cn2cc(-c3nn[n-]n3)ccc2=O)c1[N+](=O)[O-] ZINC001581637995 1165854472 /nfs/dbraw/zinc/85/44/72/1165854472.db2.gz ZXRJWLREMGWZQY-UHFFFAOYSA-N -1 1 303.238 0.281 20 5 DCBDMM COC(=O)[C@@H](F)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591277314 1167195509 /nfs/dbraw/zinc/19/55/09/1167195509.db2.gz UGLZZQRONZWILC-LURJTMIESA-N -1 1 311.233 0.093 20 5 DCBDMM COC(=O)[C@@H](F)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591277314 1167195513 /nfs/dbraw/zinc/19/55/13/1167195513.db2.gz UGLZZQRONZWILC-LURJTMIESA-N -1 1 311.233 0.093 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001593465385 1167854472 /nfs/dbraw/zinc/85/44/72/1167854472.db2.gz NWXYMTUPYQZUEH-VDAHYXPESA-N -1 1 303.282 0.902 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001593465385 1167854483 /nfs/dbraw/zinc/85/44/83/1167854483.db2.gz NWXYMTUPYQZUEH-VDAHYXPESA-N -1 1 303.282 0.902 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@](F)(CO)C1 ZINC001593466266 1167854925 /nfs/dbraw/zinc/85/49/25/1167854925.db2.gz PMPXVNYRRQNAHX-LLVKDONJSA-N -1 1 309.261 0.081 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@](F)(CO)C1 ZINC001593466266 1167854937 /nfs/dbraw/zinc/85/49/37/1167854937.db2.gz PMPXVNYRRQNAHX-LLVKDONJSA-N -1 1 309.261 0.081 20 5 DCBDMM O=C([O-])c1cccc(NC(=O)COC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001601333000 1168711398 /nfs/dbraw/zinc/71/13/98/1168711398.db2.gz HSMMLTWQDAIMGS-NXEZZACHSA-N -1 1 308.246 0.532 20 5 DCBDMM O=C([O-])c1cccc(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])c1 ZINC001602436038 1169079412 /nfs/dbraw/zinc/07/94/12/1169079412.db2.gz ZSBYRZLMCQTEOF-UHFFFAOYSA-N -1 1 304.262 0.989 20 5 DCBDMM C[C@H](O)[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCO1 ZINC001603694705 1169359662 /nfs/dbraw/zinc/35/96/62/1169359662.db2.gz COOGXYBXQAJKLA-UFBFGSQYSA-N -1 1 320.309 0.361 20 5 DCBDMM C[C@H](O)[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCO1 ZINC001603694705 1169359672 /nfs/dbraw/zinc/35/96/72/1169359672.db2.gz COOGXYBXQAJKLA-UFBFGSQYSA-N -1 1 320.309 0.361 20 5 DCBDMM CC[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@@H]1O ZINC001604111747 1169496010 /nfs/dbraw/zinc/49/60/10/1169496010.db2.gz JOTBDESNZKGQHC-HQJQHLMTSA-N -1 1 319.325 0.564 20 5 DCBDMM CC[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@@H]1O ZINC001604111747 1169496014 /nfs/dbraw/zinc/49/60/14/1169496014.db2.gz JOTBDESNZKGQHC-HQJQHLMTSA-N -1 1 319.325 0.564 20 5 DCBDMM CCC[C@H](C)NC(=O)[C@@H](C)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001604137478 1169502855 /nfs/dbraw/zinc/50/28/55/1169502855.db2.gz OHGCHLSHWXBTFC-JGVFFNPUSA-N -1 1 322.329 0.837 20 5 DCBDMM CCC[C@H](Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])C(N)=O ZINC001604238049 1169530254 /nfs/dbraw/zinc/53/02/54/1169530254.db2.gz JOOAGCIREOLFNZ-YFKPBYRVSA-N -1 1 311.327 0.902 20 5 DCBDMM CCC[C@H](Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])C(N)=O ZINC001604238049 1169530256 /nfs/dbraw/zinc/53/02/56/1169530256.db2.gz JOOAGCIREOLFNZ-YFKPBYRVSA-N -1 1 311.327 0.902 20 5 DCBDMM CN(CC(=O)NC1CC1)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001604709681 1169660399 /nfs/dbraw/zinc/66/03/99/1169660399.db2.gz BRVSKJSQYYMFNP-UHFFFAOYSA-N -1 1 317.309 0.490 20 5 DCBDMM CN(CC(=O)NC1CC1)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001604709681 1169660401 /nfs/dbraw/zinc/66/04/01/1169660401.db2.gz BRVSKJSQYYMFNP-UHFFFAOYSA-N -1 1 317.309 0.490 20 5 DCBDMM CO[C@H](Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1)[C@@H]1CCOC1 ZINC001605013184 1169779515 /nfs/dbraw/zinc/77/95/15/1169779515.db2.gz WCXYZYADOWAUSN-VXNVDRBHSA-N -1 1 309.286 0.023 20 5 DCBDMM NC(=O)[C@H]1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001606409824 1170189997 /nfs/dbraw/zinc/18/99/97/1170189997.db2.gz XMZLYYWAZHLVLO-ZETCQYMHSA-N -1 1 303.282 0.087 20 5 DCBDMM NC(=O)[C@H]1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001606409824 1170189998 /nfs/dbraw/zinc/18/99/98/1170189998.db2.gz XMZLYYWAZHLVLO-ZETCQYMHSA-N -1 1 303.282 0.087 20 5 DCBDMM Nc1c(-c2nn[n-]n2)cnn1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001606446190 1170205882 /nfs/dbraw/zinc/20/58/82/1170205882.db2.gz GTERLUBCMNJKKM-UHFFFAOYSA-N -1 1 314.265 0.437 20 5 DCBDMM O=C(CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-])NC1CC1 ZINC001606557969 1170233796 /nfs/dbraw/zinc/23/37/96/1170233796.db2.gz JBNPUOWZJHHREI-UHFFFAOYSA-N -1 1 303.282 0.465 20 5 DCBDMM O=C(CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-])NC1CC1 ZINC001606557969 1170233800 /nfs/dbraw/zinc/23/38/00/1170233800.db2.gz JBNPUOWZJHHREI-UHFFFAOYSA-N -1 1 303.282 0.465 20 5 DCBDMM O=C(NCCNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-])C1CC1 ZINC001606780815 1170287470 /nfs/dbraw/zinc/28/74/70/1170287470.db2.gz XZAFUIHUKUGSPK-UHFFFAOYSA-N -1 1 323.338 0.775 20 5 DCBDMM O=C(NCCNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-])C1CC1 ZINC001606780815 1170287474 /nfs/dbraw/zinc/28/74/74/1170287474.db2.gz XZAFUIHUKUGSPK-UHFFFAOYSA-N -1 1 323.338 0.775 20 5 DCBDMM O=[N+]([O-])c1cn(Cc2cnc3ccccc3n2)nc1-c1nn[n-]n1 ZINC001607086242 1170384104 /nfs/dbraw/zinc/38/41/04/1170384104.db2.gz IJNNVZBOWYKBEN-UHFFFAOYSA-N -1 1 323.276 0.963 20 5 DCBDMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1Cc1cccc([N+](=O)[O-])c1 ZINC001607089020 1170386212 /nfs/dbraw/zinc/38/62/12/1170386212.db2.gz XLHPCOGROIZNFG-UHFFFAOYSA-N -1 1 315.249 0.086 20 5 DCBDMM CC(=O)Cn1cc(-c2nn[n-]n2)c(=O)c2cc([N+](=O)[O-])ccc21 ZINC001609062037 1170796023 /nfs/dbraw/zinc/79/60/23/1170796023.db2.gz KQIRNLCCQWQCTM-UHFFFAOYSA-N -1 1 314.261 0.679 20 5 DCBDMM CCCCN(CC(N)=O)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609210085 1170870223 /nfs/dbraw/zinc/87/02/23/1170870223.db2.gz YSCSQFVBNJONRO-UHFFFAOYSA-N -1 1 319.325 0.867 20 5 DCBDMM Nc1cc(N2CCO[C@H](CF)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609510763 1171004681 /nfs/dbraw/zinc/00/46/81/1171004681.db2.gz FMMXMZMLBJLFMT-MRVPVSSYSA-N -1 1 323.288 0.532 20 5 DCBDMM Nc1cc(N2CCO[C@H](CF)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609510763 1171004686 /nfs/dbraw/zinc/00/46/86/1171004686.db2.gz FMMXMZMLBJLFMT-MRVPVSSYSA-N -1 1 323.288 0.532 20 5 DCBDMM Nc1cc(N2CCC[C@@H](O)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609510785 1171004999 /nfs/dbraw/zinc/00/49/99/1171004999.db2.gz GTFMKHALXUTWHU-MRVPVSSYSA-N -1 1 305.298 0.318 20 5 DCBDMM Nc1cc(N2CCC[C@@H](O)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609510785 1171005005 /nfs/dbraw/zinc/00/50/05/1171005005.db2.gz GTFMKHALXUTWHU-MRVPVSSYSA-N -1 1 305.298 0.318 20 5 DCBDMM CC(C)(CCC(=O)NCc1nc2c(c(=O)[n-]1)COCC2)[N+](=O)[O-] ZINC001632807985 1171625852 /nfs/dbraw/zinc/62/58/52/1171625852.db2.gz FBVFESDYRDEROV-UHFFFAOYSA-N -1 1 324.337 0.707 20 5 DCBDMM CCOC(=O)[C@H](C)C1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC001641844431 1171928846 /nfs/dbraw/zinc/92/88/46/1171928846.db2.gz YVWGRKCAYFWKSR-MRVPVSSYSA-N -1 1 323.305 0.967 20 5 DCBDMM Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC(c2nn[n-]n2)CC1 ZINC001644046006 1171995071 /nfs/dbraw/zinc/99/50/71/1171995071.db2.gz YRCSFBIHNSCZCX-UHFFFAOYSA-N -1 1 320.313 0.019 20 5 DCBDMM COc1cc(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])ccn1 ZINC001653511858 1173789848 /nfs/dbraw/zinc/78/98/48/1173789848.db2.gz HFFJMAGEJZFFEQ-UHFFFAOYSA-N -1 1 324.318 0.872 20 5 DCBDMM CCOC(=O)[C@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])C(F)(F)F ZINC001228141752 749385095 /nfs/dbraw/zinc/38/50/95/749385095.db2.gz ULONDMBLUSFSAF-YFKPBYRVSA-N -1 1 311.172 0.963 20 5 DCBDMM Nc1ccnc(Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)c1[N+](=O)[O-] ZINC001170216741 762568811 /nfs/dbraw/zinc/56/88/11/762568811.db2.gz NRCMWQJJLPNIEF-UHFFFAOYSA-N -1 1 304.226 0.345 20 5 DCBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@@H]2COCC[C@@H]21 ZINC001157021418 771519065 /nfs/dbraw/zinc/51/90/65/771519065.db2.gz SLCFEUHEQUPYOH-GXSJLCMTSA-N -1 1 309.278 0.325 20 5 DCBDMM C[C@H](C[S@](C)=O)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001589890743 1166710963 /nfs/dbraw/zinc/71/09/63/1166710963.db2.gz XNQSOUPEWBUDQK-QFWYVNQISA-N -1 1 310.339 0.954 20 5 DCBDMM C[C@H](C[S@](C)=O)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001589890743 1166710971 /nfs/dbraw/zinc/71/09/71/1166710971.db2.gz XNQSOUPEWBUDQK-QFWYVNQISA-N -1 1 310.339 0.954 20 5 DCBDMM O=[N+]([O-])c1ccc(NCC(F)(F)CO)cc1-c1nnn[n-]1 ZINC001593477995 1167860927 /nfs/dbraw/zinc/86/09/27/1167860927.db2.gz NTOHXBZVGZBMKG-UHFFFAOYSA-N -1 1 300.225 0.814 20 5 DCBDMM O=[N+]([O-])c1ccc(NCC(F)(F)CO)cc1-c1nn[n-]n1 ZINC001593477995 1167860937 /nfs/dbraw/zinc/86/09/37/1167860937.db2.gz NTOHXBZVGZBMKG-UHFFFAOYSA-N -1 1 300.225 0.814 20 5 DCBDMM O=C([O-])C1(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC001601710685 1168822923 /nfs/dbraw/zinc/82/29/23/1168822923.db2.gz DQZXOATXJVUVFF-UHFFFAOYSA-N -1 1 301.280 0.133 20 5 DCBDMM Cn1cc([N+](=O)[O-])c(C(=O)N=c2ccnc3n(C)[n-]cc2-3)n1 ZINC001325231947 947721485 /nfs/dbraw/zinc/72/14/85/947721485.db2.gz DPKYIYXKMSAGRW-UHFFFAOYSA-N -1 1 301.266 0.236 20 5 DCBDMM COC[C@]1(C(=O)[O-])CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC001593963523 956517510 /nfs/dbraw/zinc/51/75/10/956517510.db2.gz FVMZPDDBVFHXPQ-AWEZNQCLSA-N -1 1 324.289 0.864 20 5 DCBDMM O=C(CCc1nn[n-]n1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001290823775 956891549 /nfs/dbraw/zinc/89/15/49/956891549.db2.gz PBJYFJVPFZLDEJ-UHFFFAOYSA-N -1 1 305.298 0.269 20 5 DCBDMM O=C([N-]n1ccc(=O)[nH]c1=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001301695915 960007454 /nfs/dbraw/zinc/00/74/54/960007454.db2.gz BGLMIYBYTXCQDH-UHFFFAOYSA-N -1 1 310.653 0.894 20 5 DCBDMM CC[C@H](C[C@@H](C)O)[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC001475605355 1017125443 /nfs/dbraw/zinc/12/54/43/1017125443.db2.gz QRLRZCTYXQXMRX-RKDXNWHRSA-N -1 1 320.371 0.639 20 5 DCBDMM Cn1cc([C@H]2C[C@H](C(=O)[O-])CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC001605489437 973632811 /nfs/dbraw/zinc/63/28/11/973632811.db2.gz GEPWDLPVTNCFRA-GAIPPQHRSA-N -1 1 322.321 0.102 20 5 DCBDMM COc1cccc(C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C(=O)[O-])c1 ZINC001599668261 994767037 /nfs/dbraw/zinc/76/70/37/994767037.db2.gz GEQRFOCIZONDGX-GRYCIOLGSA-N -1 1 308.290 0.472 20 5 DCBDMM O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001455741602 1009945281 /nfs/dbraw/zinc/94/52/81/1009945281.db2.gz IQGGQZUZENYMML-SECBINFHSA-N -1 1 317.309 0.598 20 5 DCBDMM CN(C)C(=O)[C@@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC001557014026 1012248264 /nfs/dbraw/zinc/24/82/64/1012248264.db2.gz ZRHZOADSFRAWAG-MRVPVSSYSA-N -1 1 308.294 0.246 20 5 DCBDMM O=C(N[C@@H](CO)Cc1cncs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001557756726 1012296899 /nfs/dbraw/zinc/29/68/99/1012296899.db2.gz 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CCOC(=O)CC[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000339039279 253024251 /nfs/dbraw/zinc/02/42/51/253024251.db2.gz APVOKKYZOHMVCO-UHFFFAOYSA-N -1 1 320.327 0.043 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-]CC[C@H](O)C(C)C)c([N+](=O)[O-])n1 ZINC000339044376 253025850 /nfs/dbraw/zinc/02/58/50/253025850.db2.gz RNQNEHKNLJPYNX-VIFPVBQESA-N -1 1 320.371 0.497 20 5 DCBDMM CC(=O)NCC1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000339536089 253100753 /nfs/dbraw/zinc/10/07/53/253100753.db2.gz CQBHRWSQBXZJDB-UHFFFAOYSA-N -1 1 322.321 0.684 20 5 DCBDMM O=C(NCc1ccnc2ccnn21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000351771974 254366914 /nfs/dbraw/zinc/36/69/14/254366914.db2.gz XFXZQOXQYUWTBL-UHFFFAOYSA-N -1 1 314.261 0.668 20 5 DCBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@H](OCCO)C1 ZINC000275776555 130384090 /nfs/dbraw/zinc/38/40/90/130384090.db2.gz QSCDLIXDJOVACJ-SNVBAGLBSA-N -1 1 311.294 0.309 20 5 DCBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCCC2(C1)OCCO2 ZINC000271026723 395832070 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303.282 0.131 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC(O)(C2CC2)C1 ZINC001593465944 1167855758 /nfs/dbraw/zinc/85/57/58/1167855758.db2.gz KIAJMLFFQIWGHD-UHFFFAOYSA-N -1 1 303.282 0.131 20 5 DCBDMM O=[N+]([O-])c1cc(N2C[C@@H]3C[C@]3(CO)C2)ccc1-c1nn[n-]n1 ZINC001593470267 1167859000 /nfs/dbraw/zinc/85/90/00/1167859000.db2.gz BLUGKCISLQQDST-ISVAXAHUSA-N -1 1 302.294 0.594 20 5 DCBDMM O=[N+]([O-])c1ccc(NCC[C@]2(O)CCOC2)cc1-c1nnn[n-]1 ZINC001593477978 1167862006 /nfs/dbraw/zinc/86/20/06/1167862006.db2.gz MZUDTRGXHOZPSE-ZDUSSCGKSA-N -1 1 320.309 0.728 20 5 DCBDMM O=[N+]([O-])c1ccc(NCC[C@]2(O)CCOC2)cc1-c1nn[n-]n1 ZINC001593477978 1167862016 /nfs/dbraw/zinc/86/20/16/1167862016.db2.gz MZUDTRGXHOZPSE-ZDUSSCGKSA-N -1 1 320.309 0.728 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1-n1cnc(CCCO)c1 ZINC001593487223 1167873866 /nfs/dbraw/zinc/87/38/66/1167873866.db2.gz FVVXQAVPTSAJCD-UHFFFAOYSA-N -1 1 321.322 0.947 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1-n1cnc(CCCO)c1 ZINC001593487223 1167873879 /nfs/dbraw/zinc/87/38/79/1167873879.db2.gz FVVXQAVPTSAJCD-UHFFFAOYSA-N -1 1 321.322 0.947 20 5 DCBDMM CNC(=O)CCN(C)c1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001604879823 1169727084 /nfs/dbraw/zinc/72/70/84/1169727084.db2.gz ISBUDULGCXCQEJ-UHFFFAOYSA-N -1 1 319.325 0.656 20 5 DCBDMM CNC(=O)CCN(C)c1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001604879823 1169727097 /nfs/dbraw/zinc/72/70/97/1169727097.db2.gz ISBUDULGCXCQEJ-UHFFFAOYSA-N -1 1 319.325 0.656 20 5 DCBDMM COC(=O)[C@](C)(O)CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001604904049 1169740070 /nfs/dbraw/zinc/74/00/70/1169740070.db2.gz RIYAIOFKGXCHTN-GFCCVEGCSA-N -1 1 322.281 0.111 20 5 DCBDMM C[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCO1 ZINC001605443274 1169921338 /nfs/dbraw/zinc/92/13/38/1169921338.db2.gz IQASQHZGBIMGEH-ZETCQYMHSA-N -1 1 305.298 0.582 20 5 DCBDMM C[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCO1 ZINC001605443274 1169921342 /nfs/dbraw/zinc/92/13/42/1169921342.db2.gz IQASQHZGBIMGEH-ZETCQYMHSA-N 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1015350037 /nfs/dbraw/zinc/35/00/37/1015350037.db2.gz LOCJZIHXYNSFLC-UHFFFAOYSA-N -1 1 317.309 0.985 20 5 DCBDMM COC(=O)[C@@H]1C[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC001598830209 996428335 /nfs/dbraw/zinc/42/83/35/996428335.db2.gz WBCFIXDAQIIBFX-WDEREUQCSA-N -1 1 324.289 0.606 20 5 DCBDMM O=C(N[C@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1)[C@@H]1CC1[N+](=O)[O-] ZINC001471071444 1016524286 /nfs/dbraw/zinc/52/42/86/1016524286.db2.gz UGQRISDTITXOOF-GMTAPVOTSA-N -1 1 317.305 0.576 20 5 DCBDMM Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)c2nn[n-]n2)c1 ZINC001557697760 1012288340 /nfs/dbraw/zinc/28/83/40/1012288340.db2.gz RHNDCERQHOFPLU-UHFFFAOYSA-N -1 1 306.282 0.848 20 5 DCBDMM O=C(Cc1ccc([N+](=O)[O-])cc1)NC1(c2nn[n-]n2)CCC1 ZINC001558173850 1012332247 /nfs/dbraw/zinc/33/22/47/1012332247.db2.gz WYRSWVXSOHBHIE-UHFFFAOYSA-N -1 1 302.294 0.846 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-]CC2CSC2)c([N+](=O)[O-])n1 ZINC001561748928 1012476466 /nfs/dbraw/zinc/47/64/66/1012476466.db2.gz 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AABZOOMPGRNBGP-UHFFFAOYSA-N -1 1 316.285 0.219 20 5 DCBDMM Cc1nnc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1C ZINC001592442769 1167525414 /nfs/dbraw/zinc/52/54/14/1167525414.db2.gz AABZOOMPGRNBGP-UHFFFAOYSA-N -1 1 316.285 0.219 20 5 DCBDMM NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001592732746 1167620293 /nfs/dbraw/zinc/62/02/93/1167620293.db2.gz IWYOOCYYTCZKQK-VIFPVBQESA-N -1 1 303.282 0.229 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC001593487218 1167872727 /nfs/dbraw/zinc/87/27/27/1167872727.db2.gz FTAUYMUKMWQCSP-ZMONIFLSSA-N -1 1 308.323 0.511 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC001593487218 1167872742 /nfs/dbraw/zinc/87/27/42/1167872742.db2.gz FTAUYMUKMWQCSP-ZMONIFLSSA-N -1 1 308.323 0.511 20 5 DCBDMM O=c1ccc(CNc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])n[nH]1 ZINC001593496238 1167879952 /nfs/dbraw/zinc/87/99/52/1167879952.db2.gz FEFOSJYANLFBBC-UHFFFAOYSA-N -1 1 320.294 0.944 20 5 DCBDMM O=c1ccc(CNc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])n[nH]1 ZINC001593496238 1167879959 /nfs/dbraw/zinc/87/99/59/1167879959.db2.gz FEFOSJYANLFBBC-UHFFFAOYSA-N -1 1 320.294 0.944 20 5 DCBDMM COC[C@H](O)CCNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001605059066 1169798993 /nfs/dbraw/zinc/79/89/93/1169798993.db2.gz JGQKJSDWLOUPIM-ZCFIWIBFSA-N -1 1 314.327 0.646 20 5 DCBDMM COC[C@H](O)CCNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001605059066 1169798996 /nfs/dbraw/zinc/79/89/96/1169798996.db2.gz JGQKJSDWLOUPIM-ZCFIWIBFSA-N -1 1 314.327 0.646 20 5 DCBDMM CO[C@@H]1CCOC[C@H]1Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001605144923 1169843745 /nfs/dbraw/zinc/84/37/45/1169843745.db2.gz OWTSQRVYQIRGIO-ZYHUDNBSSA-N -1 1 320.309 0.991 20 5 DCBDMM CO[C@@H]1CCOC[C@H]1Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001605144923 1169843755 /nfs/dbraw/zinc/84/37/55/1169843755.db2.gz OWTSQRVYQIRGIO-ZYHUDNBSSA-N -1 1 320.309 0.991 20 5 DCBDMM Cc1cc(NCC(=O)N(C)C)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605723024 1169992598 /nfs/dbraw/zinc/99/25/98/1169992598.db2.gz FZBWIFLQSOVYQI-UHFFFAOYSA-N -1 1 305.298 0.583 20 5 DCBDMM Cc1cc(NCC(=O)N(C)C)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605723024 1169992599 /nfs/dbraw/zinc/99/25/99/1169992599.db2.gz FZBWIFLQSOVYQI-UHFFFAOYSA-N -1 1 305.298 0.583 20 5 DCBDMM O=[N+]([O-])c1cc(N[C@H]2CCS(=O)(=O)C2)ccc1-c1nn[n-]n1 ZINC001607078872 1170381924 /nfs/dbraw/zinc/38/19/24/1170381924.db2.gz AZOLROBXEYNORD-QMMMGPOBSA-N -1 1 324.322 0.374 20 5 DCBDMM Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001607864603 1170514358 /nfs/dbraw/zinc/51/43/58/1170514358.db2.gz XVPXSGBWXANYHM-NSHDSACASA-N -1 1 321.333 0.992 20 5 DCBDMM C[C@H]1CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC(=O)N1C ZINC001609175813 1170848397 /nfs/dbraw/zinc/84/83/97/1170848397.db2.gz YVDPSOYUNNBXMU-QMMMGPOBSA-N -1 1 317.309 0.442 20 5 DCBDMM C[C@H]1CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC(=O)N1C ZINC001609175813 1170848407 /nfs/dbraw/zinc/84/84/07/1170848407.db2.gz YVDPSOYUNNBXMU-QMMMGPOBSA-N -1 1 317.309 0.442 20 5 DCBDMM Nc1cc(NCC2(O)CCC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609510912 1171003936 /nfs/dbraw/zinc/00/39/36/1171003936.db2.gz NVHQSSIYEQBDFC-UHFFFAOYSA-N -1 1 305.298 0.684 20 5 DCBDMM Nc1cc(NCC2(O)CCC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609510912 1171003942 /nfs/dbraw/zinc/00/39/42/1171003942.db2.gz NVHQSSIYEQBDFC-UHFFFAOYSA-N -1 1 305.298 0.684 20 5 DCBDMM COC(=O)C[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@H]1C ZINC001635000258 1171688871 /nfs/dbraw/zinc/68/88/71/1171688871.db2.gz WLONRDZUWYALPK-PSASIEDQSA-N -1 1 323.305 0.967 20 5 DCBDMM C[S@](=O)[C@@H]1CC[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC001639109964 1171821397 /nfs/dbraw/zinc/82/13/97/1171821397.db2.gz HQSABPNIHHENLO-JYFUKTADSA-N -1 1 313.335 0.725 20 5 DCBDMM C[C@@H](CN1CCN(C)CC1)Nc1ncc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001120295028 766956931 /nfs/dbraw/zinc/95/69/31/766956931.db2.gz XBOQDXDQLNGCTC-JTQLQIEISA-N -1 1 323.353 0.736 20 5 DCBDMM Cc1cc(C)c([N+](=O)[O-])c(Nc2c(O)[nH]c(=O)[n-]c2=S)n1 ZINC001160848949 772122968 /nfs/dbraw/zinc/12/29/68/772122968.db2.gz MEQQNDIUUXGRBR-LURJTMIESA-N -1 1 309.307 0.554 20 5 DCBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1OC1COCOC1 ZINC001226307053 775796220 /nfs/dbraw/zinc/79/62/20/775796220.db2.gz DFIGSPQLHHJFPD-UHFFFAOYSA-N -1 1 314.250 0.624 20 5 DCBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H]1COC[C@H]1F ZINC001226307932 775797347 /nfs/dbraw/zinc/79/73/47/775797347.db2.gz RVWANWOOLTXIJA-HTQZYQBOSA-N -1 1 316.241 0.988 20 5 DCBDMM CON(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC001594039702 957853927 /nfs/dbraw/zinc/85/39/27/957853927.db2.gz DZNDZNZFZNCEGB-LURJTMIESA-N -1 1 300.271 0.918 20 5 DCBDMM COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001302936809 960036968 /nfs/dbraw/zinc/03/69/68/960036968.db2.gz KBTTVZVASJMQQM-QMMMGPOBSA-N -1 1 318.293 0.746 20 5 DCBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)C(N)=O)cc1F ZINC001309380609 960194514 /nfs/dbraw/zinc/19/45/14/960194514.db2.gz NPSQAMSREJBHHK-ZCFIWIBFSA-N -1 1 305.287 0.194 20 5 DCBDMM O=C(NCc1nc2cccnc2[nH]1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000338892940 253005868 /nfs/dbraw/zinc/00/58/68/253005868.db2.gz AUGWUOKOSISFRB-UHFFFAOYSA-N -1 1 314.261 0.897 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)[C@H]2CCOC2)c([N+](=O)[O-])n1 ZINC000339047259 253025110 /nfs/dbraw/zinc/02/51/10/253025110.db2.gz GFKIYHCTIOJWDY-IUCAKERBSA-N -1 1 318.355 0.515 20 5 DCBDMM COc1ccc(C(=O)NC2(c3nn[n-]n3)CC2)cc1[N+](=O)[O-] ZINC000348292651 254230490 /nfs/dbraw/zinc/23/04/90/254230490.db2.gz LKQAYVRQCUIBJB-UHFFFAOYSA-N -1 1 304.266 0.536 20 5 DCBDMM NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)c2ccc([O-])cc2)c1=O ZINC000031812394 395708484 /nfs/dbraw/zinc/70/84/84/395708484.db2.gz OSAOAQLNNPGEGR-UHFFFAOYSA-N -1 1 317.257 0.444 20 5 DCBDMM CC[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000270533003 395780608 /nfs/dbraw/zinc/78/06/08/395780608.db2.gz VLIXVOSXSCNXJD-SSDOTTSWSA-N -1 1 306.271 0.875 20 5 DCBDMM C[C@@H](CN(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-])c1nn[nH]n1 ZINC000274747149 395973190 /nfs/dbraw/zinc/97/31/90/395973190.db2.gz GQCLBEYKPMMAEP-ZETCQYMHSA-N -1 1 306.282 0.689 20 5 DCBDMM C[C@@H](CN1CCCC1=O)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277676048 396080870 /nfs/dbraw/zinc/08/08/70/396080870.db2.gz DZKCIRFHDBYQCM-QMMMGPOBSA-N -1 1 308.294 0.436 20 5 DCBDMM CNc1ccc(C(=O)NC(C)(C)c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000531336370 396594174 /nfs/dbraw/zinc/59/41/74/396594174.db2.gz SZDWLVMNSFGDPE-UHFFFAOYSA-N -1 1 305.298 0.815 20 5 DCBDMM COC(=O)c1ccnc([N-]c2cnn(CC(N)=O)c2)c1[N+](=O)[O-] ZINC000590574398 396802289 /nfs/dbraw/zinc/80/22/89/396802289.db2.gz JQBFXGOXFJRSFQ-UHFFFAOYSA-N -1 1 320.265 0.202 20 5 DCBDMM C[C@H](CCC(=O)[O-])CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000600655517 396907195 /nfs/dbraw/zinc/90/71/95/396907195.db2.gz QHIVAYUSFZZTLU-SSDOTTSWSA-N -1 1 320.327 0.108 20 5 DCBDMM Cn1cc(CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cn1 ZINC000571806296 396990127 /nfs/dbraw/zinc/99/01/27/396990127.db2.gz IJBBMXIQSDCHDM-UHFFFAOYSA-N -1 1 311.323 0.244 20 5 DCBDMM C[C@H]1CN(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000598000211 397150474 /nfs/dbraw/zinc/15/04/74/397150474.db2.gz YDKYDPSLHUMIHC-UWVGGRQHSA-N -1 1 324.337 0.534 20 5 DCBDMM CCOC(=O)c1c[n-]c(NC(=O)c2nn(C)cc2[N+](=O)[O-])n1 ZINC000593900848 397470978 /nfs/dbraw/zinc/47/09/78/397470978.db2.gz GVMHUTLLQANKTN-UHFFFAOYSA-N -1 1 308.254 0.480 20 5 DCBDMM CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(N)=O ZINC000113290343 158146741 /nfs/dbraw/zinc/14/67/41/158146741.db2.gz DCGKWBRDLQLWEY-QMMMGPOBSA-N -1 1 321.380 0.835 20 5 DCBDMM O=C(N[C@H]1CC(=O)N2CCCC[C@H]12)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000367349825 159332047 /nfs/dbraw/zinc/33/20/47/159332047.db2.gz QPLASXHTTZXHKP-WDEREUQCSA-N -1 1 320.305 0.579 20 5 DCBDMM COc1c(C(=O)NC(C)(C)c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000356197554 287196410 /nfs/dbraw/zinc/19/64/10/287196410.db2.gz XNVOHCOFEJMOGG-UHFFFAOYSA-N -1 1 306.282 0.782 20 5 DCBDMM CCC[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)c1nn[n-]n1 ZINC000353839996 415673739 /nfs/dbraw/zinc/67/37/39/415673739.db2.gz CGHKLWIBGIHPSG-QMMMGPOBSA-N -1 1 306.286 0.356 20 5 DCBDMM CN1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000121247019 415799077 /nfs/dbraw/zinc/79/90/77/415799077.db2.gz LGEADLDKUXIXJM-UHFFFAOYSA-N -1 1 308.338 0.278 20 5 DCBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000345494329 416103328 /nfs/dbraw/zinc/10/33/28/416103328.db2.gz OPCTYQGJLIIGKE-AWEZNQCLSA-N -1 1 320.305 0.438 20 5 DCBDMM C[C@H](CN(C)C(=O)CNc1ccccc1[N+](=O)[O-])c1nn[n-]n1 ZINC000183435642 416241632 /nfs/dbraw/zinc/24/16/32/416241632.db2.gz SPKSSOJOVIGSOC-SECBINFHSA-N -1 1 319.325 0.782 20 5 DCBDMM Cc1[nH]nc(C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000262162401 416336220 /nfs/dbraw/zinc/33/62/20/416336220.db2.gz BEEIDLWMRIPDSJ-ISVAXAHUSA-N -1 1 308.294 0.953 20 5 DCBDMM COC(=O)c1ccc([O-])c(NC(=O)Cn2ccc([N+](=O)[O-])n2)c1 ZINC000436503192 416561290 /nfs/dbraw/zinc/56/12/90/416561290.db2.gz FYMYZUMYEXJZGC-UHFFFAOYSA-N -1 1 320.261 0.922 20 5 DCBDMM Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000540423193 416589979 /nfs/dbraw/zinc/58/99/79/416589979.db2.gz GBXIGRRTDWFDHE-MRVPVSSYSA-N -1 1 305.298 0.466 20 5 DCBDMM O=C(N[C@H](CO)CC(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445144090 416886644 /nfs/dbraw/zinc/88/66/44/416886644.db2.gz YILWKIDQRNOGIR-LURJTMIESA-N -1 1 309.200 0.739 20 5 DCBDMM O=C(NCCc1nc(=O)o[n-]1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000447636241 417013205 /nfs/dbraw/zinc/01/32/05/417013205.db2.gz JVRNIWGPOWXWTH-UHFFFAOYSA-N -1 1 318.249 0.120 20 5 DCBDMM Cc1nc(CCNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])n[nH]1 ZINC000567739423 417067775 /nfs/dbraw/zinc/06/77/75/417067775.db2.gz NOQFUAFTFQQWTA-UHFFFAOYSA-N -1 1 306.282 1.078 20 5 DCBDMM Cc1nnc(CCNc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])[nH]1 ZINC000567739423 417067779 /nfs/dbraw/zinc/06/77/79/417067779.db2.gz NOQFUAFTFQQWTA-UHFFFAOYSA-N -1 1 306.282 1.078 20 5 DCBDMM CC(C)(NC(=O)CNc1ccccc1[N+](=O)[O-])c1nn[n-]n1 ZINC000354779724 261270712 /nfs/dbraw/zinc/27/07/12/261270712.db2.gz WRSUTUWDERSARC-UHFFFAOYSA-N -1 1 305.298 0.571 20 5 DCBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN2C(=O)OCC[C@H]2C1 ZINC000496501727 272319439 /nfs/dbraw/zinc/31/94/39/272319439.db2.gz QRONHKDRHVTSOH-VIFPVBQESA-N -1 1 322.277 0.362 20 5 DCBDMM C/C=C\C[C@H](CO)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000545320949 287996346 /nfs/dbraw/zinc/99/63/46/287996346.db2.gz SVVLZNMCYLTNEO-PKRMOACSSA-N -1 1 301.324 0.595 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CO[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000580644553 341891373 /nfs/dbraw/zinc/89/13/73/341891373.db2.gz SXGAZGZEGIOFLW-HTQZYQBOSA-N -1 1 304.328 0.267 20 5 DCBDMM O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000823082224 606531689 /nfs/dbraw/zinc/53/16/89/606531689.db2.gz DMAHJGZMXFQKCR-UHFFFAOYSA-N -1 1 314.265 0.679 20 5 DCBDMM O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000823082224 606531690 /nfs/dbraw/zinc/53/16/90/606531690.db2.gz DMAHJGZMXFQKCR-UHFFFAOYSA-N -1 1 314.265 0.679 20 5 DCBDMM CCn1cnnc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821566383 606698154 /nfs/dbraw/zinc/69/81/54/606698154.db2.gz BHWKNIUOZMHTDL-UHFFFAOYSA-N -1 1 316.285 0.393 20 5 DCBDMM CCn1cnnc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821566383 606698156 /nfs/dbraw/zinc/69/81/56/606698156.db2.gz BHWKNIUOZMHTDL-UHFFFAOYSA-N -1 1 316.285 0.393 20 5 DCBDMM CCC1(O)CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000820967574 606713302 /nfs/dbraw/zinc/71/33/02/606713302.db2.gz QLCDNBHIDKIZTN-UHFFFAOYSA-N -1 1 319.325 0.911 20 5 DCBDMM CCC1(O)CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000820967574 606713303 /nfs/dbraw/zinc/71/33/03/606713303.db2.gz QLCDNBHIDKIZTN-UHFFFAOYSA-N -1 1 319.325 0.911 20 5 DCBDMM CN(C[C@@H](O)C1CC1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821594974 606716787 /nfs/dbraw/zinc/71/67/87/606716787.db2.gz ITQWNPDYEHJLOE-SECBINFHSA-N -1 1 305.298 0.377 20 5 DCBDMM CN(C[C@@H](O)C1CC1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821594974 606716789 /nfs/dbraw/zinc/71/67/89/606716789.db2.gz ITQWNPDYEHJLOE-SECBINFHSA-N -1 1 305.298 0.377 20 5 DCBDMM C[C@H](C[S@@](C)=O)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000824447941 609599424 /nfs/dbraw/zinc/59/94/24/609599424.db2.gz DWAAJYQVJWPQCJ-NBIFTCQSSA-N -1 1 311.327 0.349 20 5 DCBDMM C[C@H](C[S@@](C)=O)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000824447941 609599426 /nfs/dbraw/zinc/59/94/26/609599426.db2.gz DWAAJYQVJWPQCJ-NBIFTCQSSA-N -1 1 311.327 0.349 20 5 DCBDMM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@@H]1CN(C)CCN1C ZINC000896574781 662294346 /nfs/dbraw/zinc/29/43/46/662294346.db2.gz JPCGMQLYJTZECB-MFKMUULPSA-N -1 1 322.365 0.665 20 5 DCBDMM Cc1c(C(=O)NCc2nn[n-]n2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000732158107 664906623 /nfs/dbraw/zinc/90/66/23/664906623.db2.gz SSMYIDQCOUOWSY-UHFFFAOYSA-N -1 1 307.226 0.255 20 5 DCBDMM O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cc(=O)[nH][n-]1 ZINC000732286391 664912027 /nfs/dbraw/zinc/91/20/27/664912027.db2.gz SMQOBZRMCVXRDD-UHFFFAOYSA-N -1 1 315.249 0.194 20 5 DCBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2COC2)cc1F ZINC000867564867 667468888 /nfs/dbraw/zinc/46/88/88/667468888.db2.gz OHQAELABEASBCC-UHFFFAOYSA-N -1 1 304.299 0.967 20 5 DCBDMM Cn1[n-]c(COC(=O)CCc2cccc([N+](=O)[O-])c2)nc1=O ZINC000765493705 668495980 /nfs/dbraw/zinc/49/59/80/668495980.db2.gz BDXUUSIGFUUHOX-UHFFFAOYSA-N -1 1 306.278 0.693 20 5 DCBDMM COC(=O)c1cc(C(=O)[N-]N2CN=NC2=O)cc([N+](=O)[O-])c1 ZINC000777768232 668891381 /nfs/dbraw/zinc/89/13/81/668891381.db2.gz KEKMEZPTLRVHQV-UHFFFAOYSA-N -1 1 307.222 0.062 20 5 DCBDMM COc1ccc(NC(=O)COC(=O)c2cn[n-]n2)c([N+](=O)[O-])c1 ZINC000805604248 668895652 /nfs/dbraw/zinc/89/56/52/668895652.db2.gz ATKBLMVPOJMNCV-UHFFFAOYSA-N -1 1 321.249 0.517 20 5 DCBDMM O=C(NN1Cc2ccccc2C1=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000782133439 669081428 /nfs/dbraw/zinc/08/14/28/669081428.db2.gz ZULUMWVVOQVSTO-UHFFFAOYSA-N -1 1 314.257 0.996 20 5 DCBDMM CC(C)(NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000794406641 669832889 /nfs/dbraw/zinc/83/28/89/669832889.db2.gz BOYSHAQLOYFVEI-UHFFFAOYSA-N -1 1 322.321 0.826 20 5 DCBDMM CCC[C@@H](NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nn[n-]n1 ZINC000826936972 671506735 /nfs/dbraw/zinc/50/67/35/671506735.db2.gz CKWQWUZIBBJMAS-MNOVXSKESA-N -1 1 320.309 0.799 20 5 DCBDMM Cc1cc(NC(=O)CCn2cc[n-]c(=O)c2=O)cc([N+](=O)[O-])c1 ZINC001648795063 1157404490 /nfs/dbraw/zinc/40/44/90/1157404490.db2.gz XGKNPIGWXZGSGI-UHFFFAOYSA-N -1 1 318.289 0.782 20 5 DCBDMM Cc1[nH]nc(NC(=O)CCC(C)(C)[N+](=O)[O-])c1-c1nn[n-]n1 ZINC001581403062 1165820850 /nfs/dbraw/zinc/82/08/50/1165820850.db2.gz XFKQZEQKPIAGIQ-UHFFFAOYSA-N -1 1 308.302 0.672 20 5 DCBDMM O=C(Nc1c[nH]nc1-c1nn[n-]n1)c1csc([N+](=O)[O-])c1 ZINC001582650627 1166062072 /nfs/dbraw/zinc/06/20/72/1166062072.db2.gz YHVHHHMMGRIEKG-UHFFFAOYSA-N -1 1 306.267 0.812 20 5 DCBDMM O=[N+]([O-])c1ccc(Oc2ccnc(-c3nn[n-]n3)n2)cc1CO ZINC001582803934 1166086406 /nfs/dbraw/zinc/08/64/06/1166086406.db2.gz DCZAFEWBKXGCSO-UHFFFAOYSA-N -1 1 315.249 0.850 20 5 DCBDMM CC(C)NC(=O)CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001589721497 1166676417 /nfs/dbraw/zinc/67/64/17/1166676417.db2.gz CHVPGYKMFVCTSR-UHFFFAOYSA-N -1 1 305.298 0.711 20 5 DCBDMM CC(C)NC(=O)CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001589721497 1166676422 /nfs/dbraw/zinc/67/64/22/1166676422.db2.gz CHVPGYKMFVCTSR-UHFFFAOYSA-N -1 1 305.298 0.711 20 5 DCBDMM C[C@@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@H]1O ZINC001590275800 1166838110 /nfs/dbraw/zinc/83/81/10/1166838110.db2.gz FQMSKMZJKLGFTL-APPZFPTMSA-N -1 1 305.298 0.377 20 5 DCBDMM C[C@@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@H]1O ZINC001590275800 1166838114 /nfs/dbraw/zinc/83/81/14/1166838114.db2.gz FQMSKMZJKLGFTL-APPZFPTMSA-N -1 1 305.298 0.377 20 5 DCBDMM CCC(=O)N1CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001590362691 1166887451 /nfs/dbraw/zinc/88/74/51/1166887451.db2.gz VKYKQCNNKDTAEF-UHFFFAOYSA-N -1 1 323.338 0.853 20 5 DCBDMM CCC(=O)N1CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001590362691 1166887457 /nfs/dbraw/zinc/88/74/57/1166887457.db2.gz VKYKQCNNKDTAEF-UHFFFAOYSA-N -1 1 323.338 0.853 20 5 DCBDMM CCN(CCC(=O)NC)c1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001590691933 1166978398 /nfs/dbraw/zinc/97/83/98/1166978398.db2.gz RGBPFULXCCPLBL-UHFFFAOYSA-N -1 1 319.325 0.737 20 5 DCBDMM CCN(CCC(=O)NC)c1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001590691933 1166978407 /nfs/dbraw/zinc/97/84/07/1166978407.db2.gz RGBPFULXCCPLBL-UHFFFAOYSA-N -1 1 319.325 0.737 20 5 DCBDMM CCc1ccc(Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)nc1 ZINC001590889948 1167043832 /nfs/dbraw/zinc/04/38/32/1167043832.db2.gz BYBKZOHDOPNURY-UHFFFAOYSA-N -1 1 300.282 0.977 20 5 DCBDMM CN(CC1(CO)CC1)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591052873 1167096004 /nfs/dbraw/zinc/09/60/04/1167096004.db2.gz GRMDAJSVVDXTDH-UHFFFAOYSA-N -1 1 304.310 0.984 20 5 DCBDMM CNC(=O)[C@@H](C)CN(C)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591198336 1167147342 /nfs/dbraw/zinc/14/73/42/1167147342.db2.gz QHBPMAUTUNDZPO-QMMMGPOBSA-N -1 1 319.325 0.593 20 5 DCBDMM CNC(=O)[C@@H](C)CN(C)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591198336 1167147344 /nfs/dbraw/zinc/14/73/44/1167147344.db2.gz QHBPMAUTUNDZPO-QMMMGPOBSA-N -1 1 319.325 0.593 20 5 DCBDMM COC(=O)C[C@@H](C)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001591268652 1167187843 /nfs/dbraw/zinc/18/78/43/1167187843.db2.gz SEMFLKMOFQZXAL-ZCFIWIBFSA-N -1 1 307.270 0.533 20 5 DCBDMM COC(=O)C[C@@H](C)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001591268652 1167187850 /nfs/dbraw/zinc/18/78/50/1167187850.db2.gz SEMFLKMOFQZXAL-ZCFIWIBFSA-N -1 1 307.270 0.533 20 5 DCBDMM COC(=O)COCCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591267335 1167188124 /nfs/dbraw/zinc/18/81/24/1167188124.db2.gz FEUIEBPRVUYMQF-UHFFFAOYSA-N -1 1 322.281 0.376 20 5 DCBDMM COC[C@@H](CCO)Nc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591375676 1167246910 /nfs/dbraw/zinc/24/69/10/1167246910.db2.gz HGXADGCJKWCBOP-SECBINFHSA-N -1 1 322.325 0.893 20 5 DCBDMM COC[C@@H](CCO)Nc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591375676 1167246916 /nfs/dbraw/zinc/24/69/16/1167246916.db2.gz HGXADGCJKWCBOP-SECBINFHSA-N -1 1 322.325 0.893 20 5 DCBDMM COCC[C@H](CO)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591399767 1167269831 /nfs/dbraw/zinc/26/98/31/1167269831.db2.gz XJUCXJNDWKEEHD-SECBINFHSA-N -1 1 308.298 0.584 20 5 DCBDMM COCC[C@H](CO)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591399767 1167269836 /nfs/dbraw/zinc/26/98/36/1167269836.db2.gz XJUCXJNDWKEEHD-SECBINFHSA-N -1 1 308.298 0.584 20 5 DCBDMM C[S@@](=O)CCNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591684739 1167352966 /nfs/dbraw/zinc/35/29/66/1167352966.db2.gz ZEZBKJWATIDCFL-OAQYLSRUSA-N -1 1 311.327 0.148 20 5 DCBDMM C[S@@](=O)CCNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591684739 1167352972 /nfs/dbraw/zinc/35/29/72/1167352972.db2.gz ZEZBKJWATIDCFL-OAQYLSRUSA-N -1 1 311.327 0.148 20 5 DCBDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC001592559723 1167561963 /nfs/dbraw/zinc/56/19/63/1167561963.db2.gz BGQHIJRGPGYWJD-UHFFFAOYSA-N -1 1 314.265 0.761 20 5 DCBDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC001592559723 1167561966 /nfs/dbraw/zinc/56/19/66/1167561966.db2.gz BGQHIJRGPGYWJD-UHFFFAOYSA-N -1 1 314.265 0.761 20 5 DCBDMM Cn1cnc([N+](=O)[O-])c1NCc1ccnc(-c2nnn[n-]2)c1 ZINC001592589038 1167574049 /nfs/dbraw/zinc/57/40/49/1167574049.db2.gz QBRFIPQCSWVYFX-UHFFFAOYSA-N -1 1 301.270 0.516 20 5 DCBDMM Cn1cnc([N+](=O)[O-])c1NCc1ccnc(-c2nn[n-]n2)c1 ZINC001592589038 1167574055 /nfs/dbraw/zinc/57/40/55/1167574055.db2.gz QBRFIPQCSWVYFX-UHFFFAOYSA-N -1 1 301.270 0.516 20 5 DCBDMM Nc1cc(NCCn2cncn2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592760263 1167636508 /nfs/dbraw/zinc/63/65/08/1167636508.db2.gz UYMVNTUFMGLBGT-UHFFFAOYSA-N -1 1 316.285 0.061 20 5 DCBDMM Nc1cc(NCCn2cncn2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592760263 1167636512 /nfs/dbraw/zinc/63/65/12/1167636512.db2.gz UYMVNTUFMGLBGT-UHFFFAOYSA-N -1 1 316.285 0.061 20 5 DCBDMM Nc1cc(NC[C@H]2CC[C@H](O)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592760444 1167636641 /nfs/dbraw/zinc/63/66/41/1167636641.db2.gz YGGFOUPIUKKMSH-CBAPKCEASA-N -1 1 319.325 0.930 20 5 DCBDMM Nc1cc(NC[C@H]2CC[C@H](O)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592760444 1167636645 /nfs/dbraw/zinc/63/66/45/1167636645.db2.gz YGGFOUPIUKKMSH-CBAPKCEASA-N -1 1 319.325 0.930 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H](O)C1CCC1 ZINC001593465956 1167853057 /nfs/dbraw/zinc/85/30/57/1167853057.db2.gz KJKKJCUADRIZTD-VIFPVBQESA-N -1 1 305.298 0.743 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H](O)C1CCC1 ZINC001593465956 1167853064 /nfs/dbraw/zinc/85/30/64/1167853064.db2.gz KJKKJCUADRIZTD-VIFPVBQESA-N -1 1 305.298 0.743 20 5 DCBDMM O=[N+]([O-])c1ccc(NC[C@@H]2COCCO2)cc1-c1nnn[n-]1 ZINC001593477826 1167863584 /nfs/dbraw/zinc/86/35/84/1167863584.db2.gz GAIUOHHMTNIZCU-SECBINFHSA-N -1 1 306.282 0.602 20 5 DCBDMM O=[N+]([O-])c1ccc(NC[C@@H]2COCCO2)cc1-c1nn[n-]n1 ZINC001593477826 1167863599 /nfs/dbraw/zinc/86/35/99/1167863599.db2.gz GAIUOHHMTNIZCU-SECBINFHSA-N -1 1 306.282 0.602 20 5 DCBDMM C[C@@]1(C(N)=O)CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001603754676 1169378070 /nfs/dbraw/zinc/37/80/70/1169378070.db2.gz FIKXXNJIVRVDIW-CYBMUJFWSA-N -1 1 317.309 0.477 20 5 DCBDMM C[C@@]1(C(N)=O)CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001603754676 1169378076 /nfs/dbraw/zinc/37/80/76/1169378076.db2.gz FIKXXNJIVRVDIW-CYBMUJFWSA-N -1 1 317.309 0.477 20 5 DCBDMM CCN(c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC001604328694 1169554080 /nfs/dbraw/zinc/55/40/80/1169554080.db2.gz VLJKHQFJRJKEDM-JTQLQIEISA-N -1 1 317.309 0.490 20 5 DCBDMM C[C@@]1(NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CCNC1=O ZINC001604598863 1169626864 /nfs/dbraw/zinc/62/68/64/1169626864.db2.gz ZIRYWEITJQUIPL-CQSZACIVSA-N -1 1 323.305 0.426 20 5 DCBDMM O=[N+]([O-])c1ccccc1NCCn1cnc(-c2nn[n-]n2)n1 ZINC001607085123 1170385312 /nfs/dbraw/zinc/38/53/12/1170385312.db2.gz KBRJYVNIKBTBDD-UHFFFAOYSA-N -1 1 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O=C(NN1CC(=O)[N-]C1=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001182303104 771451200 /nfs/dbraw/zinc/45/12/00/771451200.db2.gz MSOOCHFBFUYISR-VHSXEESVSA-N -1 1 304.262 0.281 20 5 DCBDMM C[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccnn1C ZINC001193904135 773127828 /nfs/dbraw/zinc/12/78/28/773127828.db2.gz JEWMPLOQVXTGQS-ZETCQYMHSA-N -1 1 314.327 0.101 20 5 DCBDMM CC(=O)OCC(COC(C)=O)Oc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225665517 775705802 /nfs/dbraw/zinc/70/58/02/775705802.db2.gz BIYHCMMZOCAAHX-UHFFFAOYSA-N -1 1 314.250 0.569 20 5 DCBDMM CC1=NO[C@H](C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC001463727848 1013159779 /nfs/dbraw/zinc/15/97/79/1013159779.db2.gz YLPNBLOWGJKPKM-QMMMGPOBSA-N -1 1 300.296 0.433 20 5 DCBDMM CC1=NO[C@@H](C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC001463727846 1013159232 /nfs/dbraw/zinc/15/92/32/1013159232.db2.gz YLPNBLOWGJKPKM-MRVPVSSYSA-N -1 1 300.296 0.433 20 5 DCBDMM CCc1ccc(C(=O)N[C@H](COC)c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001303578985 960056921 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CCC[C@@H](O)[C@H](CO)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590561018 1166944214 /nfs/dbraw/zinc/94/42/14/1166944214.db2.gz SDCHDZKXOROCIG-CMPLNLGQSA-N -1 1 322.325 0.709 20 5 DCBDMM CCn1nncc1CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590972386 1167063154 /nfs/dbraw/zinc/06/31/54/1167063154.db2.gz SSMVSDBYDKJJCP-UHFFFAOYSA-N -1 1 315.297 0.998 20 5 DCBDMM CCn1nncc1CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590972386 1167063157 /nfs/dbraw/zinc/06/31/57/1167063157.db2.gz SSMVSDBYDKJJCP-UHFFFAOYSA-N -1 1 315.297 0.998 20 5 DCBDMM CN1C(=O)C[C@@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1=O ZINC001591163782 1167121491 /nfs/dbraw/zinc/12/14/91/1167121491.db2.gz XAOLIQYICAQUBA-SCSAIBSYSA-N -1 1 323.294 0.006 20 5 DCBDMM CN1C(=O)C[C@@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1=O ZINC001591163782 1167121495 /nfs/dbraw/zinc/12/14/95/1167121495.db2.gz XAOLIQYICAQUBA-SCSAIBSYSA-N -1 1 323.294 0.006 20 5 DCBDMM CN1CC[C@H](Nc2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])CC1=O ZINC001591181428 1167132987 /nfs/dbraw/zinc/13/29/87/1167132987.db2.gz WYCJAXPJGZTWJL-LURJTMIESA-N -1 1 323.338 0.869 20 5 DCBDMM CN1CC[C@H](Nc2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])CC1=O ZINC001591181428 1167132991 /nfs/dbraw/zinc/13/29/91/1167132991.db2.gz WYCJAXPJGZTWJL-LURJTMIESA-N -1 1 323.338 0.869 20 5 DCBDMM CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591203880 1167152619 /nfs/dbraw/zinc/15/26/19/1167152619.db2.gz NFQCBDKKFQVUIE-SNVBAGLBSA-N -1 1 317.309 0.490 20 5 DCBDMM CO[C@](C)(CO)CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591318761 1167212963 /nfs/dbraw/zinc/21/29/63/1167212963.db2.gz LRBXNGKURQWOMO-LBPRGKRZSA-N -1 1 308.298 0.584 20 5 DCBDMM CO[C@](C)(CO)CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591318761 1167212969 /nfs/dbraw/zinc/21/29/69/1167212969.db2.gz LRBXNGKURQWOMO-LBPRGKRZSA-N -1 1 308.298 0.584 20 5 DCBDMM COC[C@@](C)(O)CCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591371718 1167244125 /nfs/dbraw/zinc/24/41/25/1167244125.db2.gz ZLRBQGSRAKXEKX-ZDUSSCGKSA-N -1 1 322.325 0.974 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/nfs/dbraw/zinc/44/16/95/1167441695.db2.gz BWZPWMJMLVPJGW-LBPRGKRZSA-N -1 1 308.298 0.239 20 5 DCBDMM Cc1cc(NC[C@](C)(O)CO)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592038115 1167441697 /nfs/dbraw/zinc/44/16/97/1167441697.db2.gz BWZPWMJMLVPJGW-LBPRGKRZSA-N -1 1 308.298 0.239 20 5 DCBDMM Cc1cc(N[C@H]2CNC(=O)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592038206 1167442429 /nfs/dbraw/zinc/44/24/29/1167442429.db2.gz AGRHAMCATAZYGA-MRVPVSSYSA-N -1 1 303.282 0.384 20 5 DCBDMM Cc1cc(N[C@H]2CNC(=O)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592038206 1167442434 /nfs/dbraw/zinc/44/24/34/1167442434.db2.gz AGRHAMCATAZYGA-MRVPVSSYSA-N -1 1 303.282 0.384 20 5 DCBDMM Cc1cccc([N+](=O)[O-])c1C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC001592243514 1167477458 /nfs/dbraw/zinc/47/74/58/1167477458.db2.gz BJVSBDSULMHCOK-UHFFFAOYSA-N -1 1 314.265 0.551 20 5 DCBDMM O=[N+]([O-])c1ccc(Oc2cnc(-c3nnn[n-]3)cn2)cc1CO ZINC001593479522 1167868285 /nfs/dbraw/zinc/86/82/85/1167868285.db2.gz IQAVMSBAIFKUQV-UHFFFAOYSA-N -1 1 315.249 0.850 20 5 DCBDMM O=[N+]([O-])c1ccc(Oc2cnc(-c3nn[n-]n3)cn2)cc1CO ZINC001593479522 1167868304 /nfs/dbraw/zinc/86/83/04/1167868304.db2.gz IQAVMSBAIFKUQV-UHFFFAOYSA-N -1 1 315.249 0.850 20 5 DCBDMM O=[N+]([O-])c1cnn(-c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])c1 ZINC001593488162 1167871792 /nfs/dbraw/zinc/87/17/92/1167871792.db2.gz ZWNCAVTUPIIGCH-UHFFFAOYSA-N -1 1 308.239 0.930 20 5 DCBDMM O=[N+]([O-])c1cnn(-c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])c1 ZINC001593488162 1167871802 /nfs/dbraw/zinc/87/18/02/1167871802.db2.gz ZWNCAVTUPIIGCH-UHFFFAOYSA-N -1 1 308.239 0.930 20 5 DCBDMM O=c1[nH]cc(-c2nn[n-]n2)c(=O)n1Cc1csc([N+](=O)[O-])c1 ZINC001593489416 1167874185 /nfs/dbraw/zinc/87/41/85/1167874185.db2.gz MALBEBFKZSGXPG-UHFFFAOYSA-N -1 1 321.278 0.147 20 5 DCBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCn3c(=O)[nH]nc3C2)c1 ZINC001602404367 1169073195 /nfs/dbraw/zinc/07/31/95/1169073195.db2.gz WDCOKFBJNUDAHH-UHFFFAOYSA-N -1 1 319.277 0.606 20 5 DCBDMM CCC[C@@H](C)NC(=O)[C@@H](C)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001604137475 1169502785 /nfs/dbraw/zinc/50/27/85/1169502785.db2.gz OHGCHLSHWXBTFC-HTQZYQBOSA-N -1 1 322.329 0.837 20 5 DCBDMM CN(C[C@H]1CCOC1)c1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001604736230 1169666063 /nfs/dbraw/zinc/66/60/63/1169666063.db2.gz DHTAGOUFDGSQSV-MRVPVSSYSA-N -1 1 319.325 0.830 20 5 DCBDMM CN(C[C@H]1CCOC1)c1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001604736230 1169666065 /nfs/dbraw/zinc/66/60/65/1169666065.db2.gz DHTAGOUFDGSQSV-MRVPVSSYSA-N -1 1 319.325 0.830 20 5 DCBDMM CNC(=O)CCN(C)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001604879808 1169726962 /nfs/dbraw/zinc/72/69/62/1169726962.db2.gz HYNAAXFHOZYPOO-UHFFFAOYSA-N -1 1 305.298 0.347 20 5 DCBDMM CNC(=O)CCN(C)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001604879808 1169726966 /nfs/dbraw/zinc/72/69/66/1169726966.db2.gz HYNAAXFHOZYPOO-UHFFFAOYSA-N -1 1 305.298 0.347 20 5 DCBDMM CNC(=O)CCCNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001604879856 1169727736 /nfs/dbraw/zinc/72/77/36/1169727736.db2.gz KSFOXPZMDNZZNI-UHFFFAOYSA-N -1 1 320.313 0.295 20 5 DCBDMM CNC(=O)CCCNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001604879856 1169727741 /nfs/dbraw/zinc/72/77/41/1169727741.db2.gz KSFOXPZMDNZZNI-UHFFFAOYSA-N -1 1 320.313 0.295 20 5 DCBDMM Cc1cc(N[C@H]2C[C@@H](C(N)=O)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605741899 1169996683 /nfs/dbraw/zinc/99/66/83/1169996683.db2.gz JBYAYZCIWBUMOC-OTSSQURYSA-N -1 1 317.309 0.759 20 5 DCBDMM Cc1cc(N[C@H]2C[C@@H](C(N)=O)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605741899 1169996693 /nfs/dbraw/zinc/99/66/93/1169996693.db2.gz JBYAYZCIWBUMOC-OTSSQURYSA-N -1 1 317.309 0.759 20 5 DCBDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccccc2[N+](=O)[O-])n1 ZINC001606222600 1170121031 /nfs/dbraw/zinc/12/10/31/1170121031.db2.gz LTYJFUZSYRXMPA-UHFFFAOYSA-N -1 1 314.265 0.761 20 5 DCBDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccccc2[N+](=O)[O-])n1 ZINC001606222600 1170121035 /nfs/dbraw/zinc/12/10/35/1170121035.db2.gz LTYJFUZSYRXMPA-UHFFFAOYSA-N -1 1 314.265 0.761 20 5 DCBDMM NC(=O)CC1(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001606410311 1170188863 /nfs/dbraw/zinc/18/88/63/1170188863.db2.gz FQVCQIZIGMQZEE-UHFFFAOYSA-N -1 1 318.297 0.237 20 5 DCBDMM NC(=O)CC1(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001606410311 1170188865 /nfs/dbraw/zinc/18/88/65/1170188865.db2.gz FQVCQIZIGMQZEE-UHFFFAOYSA-N -1 1 318.297 0.237 20 5 DCBDMM O=C([O-])C[C@H]1C(=O)NCCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC001608690273 1170737707 /nfs/dbraw/zinc/73/77/07/1170737707.db2.gz FTDOLOOYLSELNS-NSHDSACASA-N -1 1 309.278 0.076 20 5 DCBDMM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC001608807775 1170758274 /nfs/dbraw/zinc/75/82/74/1170758274.db2.gz CNZVWMHPDOMTEI-FDYHWXHSSA-N -1 1 304.302 0.978 20 5 DCBDMM CC(C)[C@@H](CO)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609088863 1170803445 /nfs/dbraw/zinc/80/34/45/1170803445.db2.gz YWKNDUNNAVWLNE-MRVPVSSYSA-N -1 1 307.314 0.846 20 5 DCBDMM CC(C)[C@@H](CO)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609088863 1170803451 /nfs/dbraw/zinc/80/34/51/1170803451.db2.gz 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/nfs/dbraw/zinc/73/83/02/607738302.db2.gz PXJUWBTYLIODEX-UHFFFAOYSA-N -1 1 319.325 0.911 20 5 DCBDMM CN(CC1(O)CCCC1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000825902182 607738303 /nfs/dbraw/zinc/73/83/03/607738303.db2.gz PXJUWBTYLIODEX-UHFFFAOYSA-N -1 1 319.325 0.911 20 5 DCBDMM CC[S@](=O)CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821447279 606710124 /nfs/dbraw/zinc/71/01/24/606710124.db2.gz IQGZRTPGICYKBD-NRFANRHFSA-N -1 1 311.327 0.350 20 5 DCBDMM CC[S@](=O)CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821447279 606710126 /nfs/dbraw/zinc/71/01/26/606710126.db2.gz IQGZRTPGICYKBD-NRFANRHFSA-N -1 1 311.327 0.350 20 5 DCBDMM C[C@H](O)C[C@H](C)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820473558 606711892 /nfs/dbraw/zinc/71/18/92/606711892.db2.gz GMIHFDONQFAXKR-YUMQZZPRSA-N -1 1 307.314 0.989 20 5 DCBDMM C[C@H](O)C[C@H](C)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820473558 606711893 /nfs/dbraw/zinc/71/18/93/606711893.db2.gz GMIHFDONQFAXKR-YUMQZZPRSA-N -1 1 307.314 0.989 20 5 DCBDMM COCCOCCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821693030 607163873 /nfs/dbraw/zinc/16/38/73/607163873.db2.gz OGJRWOVQZTYUQN-UHFFFAOYSA-N -1 1 323.313 0.635 20 5 DCBDMM COCCOCCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821693030 607163875 /nfs/dbraw/zinc/16/38/75/607163875.db2.gz OGJRWOVQZTYUQN-UHFFFAOYSA-N -1 1 323.313 0.635 20 5 DCBDMM Cc1c(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cnn1C ZINC000826236448 607966607 /nfs/dbraw/zinc/96/66/07/607966607.db2.gz MPQORYZJYIXXQF-UHFFFAOYSA-N -1 1 315.297 0.824 20 5 DCBDMM Cc1c(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cnn1C ZINC000826236448 607966608 /nfs/dbraw/zinc/96/66/08/607966608.db2.gz MPQORYZJYIXXQF-UHFFFAOYSA-N -1 1 315.297 0.824 20 5 DCBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1O ZINC000178650845 661442622 /nfs/dbraw/zinc/44/26/22/661442622.db2.gz RJCFTIVOCJXRRN-RKDXNWHRSA-N -1 1 304.299 0.926 20 5 DCBDMM COC(=O)N1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000726628016 661662417 /nfs/dbraw/zinc/66/24/17/661662417.db2.gz SYTDRBSNIVXNLU-MRVPVSSYSA-N -1 1 324.293 0.656 20 5 DCBDMM C[C@@H](CNc1nccc(C(=O)[O-])c1[N+](=O)[O-])N1CCN(C)CC1 ZINC000737670691 662414297 /nfs/dbraw/zinc/41/42/97/662414297.db2.gz PQACHVNFQIUMQV-JTQLQIEISA-N -1 1 323.353 0.736 20 5 DCBDMM O=C(Cn1cnc([N+](=O)[O-])c1)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000914602050 664805990 /nfs/dbraw/zinc/80/59/90/664805990.db2.gz GVFLSLLBSBEULI-UHFFFAOYSA-N -1 1 319.233 0.656 20 5 DCBDMM O=C(c1ccc([N+](=O)[O-])s1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731855465 664886037 /nfs/dbraw/zinc/88/60/37/664886037.db2.gz OJEFHWPSAXBCCT-LURJTMIESA-N -1 1 310.295 0.383 20 5 DCBDMM O=C(Nc1nnn[n-]1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000735821009 667039665 /nfs/dbraw/zinc/03/96/65/667039665.db2.gz PFDPQQVGLDZCRY-UHFFFAOYSA-N -1 1 319.281 0.197 20 5 DCBDMM O=C(Nc1nn[n-]n1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000735821009 667039668 /nfs/dbraw/zinc/03/96/68/667039668.db2.gz PFDPQQVGLDZCRY-UHFFFAOYSA-N -1 1 319.281 0.197 20 5 DCBDMM CN1CCN(CCNc2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000738019861 667647816 /nfs/dbraw/zinc/64/78/16/667647816.db2.gz BBBCFIZRFODZQB-UHFFFAOYSA-N -1 1 309.326 0.347 20 5 DCBDMM CC(C)OCCS(=O)(=O)[N-]N=c1[nH]cccc1[N+](=O)[O-] ZINC000759168183 668209252 /nfs/dbraw/zinc/20/92/52/668209252.db2.gz MSFOXNXMEKQXJS-UHFFFAOYSA-N -1 1 304.328 0.661 20 5 DCBDMM Cc1cc(F)cc(C(=O)OCc2nc(=O)n(C)[n-]2)c1[N+](=O)[O-] ZINC000765490919 668496462 /nfs/dbraw/zinc/49/64/62/668496462.db2.gz AINLTZXMEKOQBT-UHFFFAOYSA-N -1 1 310.241 0.821 20 5 DCBDMM CS(=O)(=O)NCCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780068143 668963690 /nfs/dbraw/zinc/96/36/90/668963690.db2.gz KMMRJHVYDPYYLV-UHFFFAOYSA-N -1 1 304.280 0.006 20 5 DCBDMM CCc1cc(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])[nH]n1 ZINC000849378691 670783659 /nfs/dbraw/zinc/78/36/59/670783659.db2.gz ZVJFOPSGIPOMLJ-UHFFFAOYSA-N -1 1 311.323 0.754 20 5 DCBDMM CN(C(=O)CN1CC[C@H](C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC000818363547 671008949 /nfs/dbraw/zinc/00/89/49/671008949.db2.gz HSXZDEOGDZQRIC-JTQLQIEISA-N -1 1 307.306 0.964 20 5 DCBDMM C[S@](=O)CCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000116901702 671137910 /nfs/dbraw/zinc/13/79/10/671137910.db2.gz NEMSNYDLICRAFD-LJQANCHMSA-N -1 1 324.355 0.781 20 5 DCBDMM COC(=O)[C@H]1[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C[C@@H]21 ZINC000832705737 671733373 /nfs/dbraw/zinc/73/33/73/671733373.db2.gz ABTCUWPJVXEOQF-MYJAWHEDSA-N -1 1 307.262 0.186 20 5 DCBDMM COC(=O)[C@@H](F)CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001579465666 1165318435 /nfs/dbraw/zinc/31/84/35/1165318435.db2.gz JQEYLUCXCVYBSR-BYPYZUCNSA-N -1 1 316.274 0.759 20 5 DCBDMM COC(=O)[C@@H](F)CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001579465666 1165318441 /nfs/dbraw/zinc/31/84/41/1165318441.db2.gz JQEYLUCXCVYBSR-BYPYZUCNSA-N -1 1 316.274 0.759 20 5 DCBDMM Cn1ncc([N+](=O)[O-])c1NC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001581833986 1165885590 /nfs/dbraw/zinc/88/55/90/1165885590.db2.gz OQUOFDDDGQBXEK-UHFFFAOYSA-N -1 1 304.226 0.354 20 5 DCBDMM CC(C)NC(=O)CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001589721475 1166677429 /nfs/dbraw/zinc/67/74/29/1166677429.db2.gz AMMIRNQYOIKVKU-UHFFFAOYSA-N -1 1 311.327 0.773 20 5 DCBDMM CC(C)NC(=O)CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001589721475 1166677434 /nfs/dbraw/zinc/67/74/34/1166677434.db2.gz AMMIRNQYOIKVKU-UHFFFAOYSA-N -1 1 311.327 0.773 20 5 DCBDMM C[C@H](O)[C@H]1CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC001589994575 1166740289 /nfs/dbraw/zinc/74/02/89/1166740289.db2.gz HOLULYBVPSQRSP-GZMMTYOYSA-N -1 1 320.309 0.361 20 5 DCBDMM C[C@H](O)[C@H]1CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC001589994575 1166740292 /nfs/dbraw/zinc/74/02/92/1166740292.db2.gz HOLULYBVPSQRSP-GZMMTYOYSA-N -1 1 320.309 0.361 20 5 DCBDMM C[C@H]1C[C@@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CO1 ZINC001590206251 1166812504 /nfs/dbraw/zinc/81/25/04/1166812504.db2.gz GZAKEPRWCJUYRK-POYBYMJQSA-N -1 1 305.298 0.946 20 5 DCBDMM C[C@H]1C[C@@H](Nc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CO1 ZINC001590206251 1166812509 /nfs/dbraw/zinc/81/25/09/1166812509.db2.gz GZAKEPRWCJUYRK-POYBYMJQSA-N -1 1 305.298 0.946 20 5 DCBDMM CCC(CC)NC(=O)[C@@H](C)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001590435909 1166906270 /nfs/dbraw/zinc/90/62/70/1166906270.db2.gz RJDDUGOHDIAPSY-SSDOTTSWSA-N -1 1 322.329 0.837 20 5 DCBDMM CC[C@@H]1C(=O)NCCN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590499084 1166926151 /nfs/dbraw/zinc/92/61/51/1166926151.db2.gz INOJABMLCLSGRZ-SNVBAGLBSA-N -1 1 317.309 0.490 20 5 DCBDMM Nc1cc(N2CCC(O)CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759952 1167636027 /nfs/dbraw/zinc/63/60/27/1167636027.db2.gz MMVZKFYUJUJWDK-UHFFFAOYSA-N -1 1 305.298 0.318 20 5 DCBDMM Nc1cc(N2CCC(O)CC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759952 1167636032 /nfs/dbraw/zinc/63/60/32/1167636032.db2.gz MMVZKFYUJUJWDK-UHFFFAOYSA-N -1 1 305.298 0.318 20 5 DCBDMM O=[N+]([O-])c1c(SCCc2nn[nH]n2)cccc1-c1nn[n-]n1 ZINC001593469549 1167858122 /nfs/dbraw/zinc/85/81/22/1167858122.db2.gz VPTAIMDAWCYZDC-UHFFFAOYSA-N -1 1 319.310 0.623 20 5 DCBDMM O=[N+]([O-])c1ccc(NC[C@@H](O)[C@H]2CCCO2)cc1-c1nnn[n-]1 ZINC001593478198 1167868334 /nfs/dbraw/zinc/86/83/34/1167868334.db2.gz RAHJHHRGOUOTPV-VXGBXAGGSA-N -1 1 320.309 0.727 20 5 DCBDMM O=[N+]([O-])c1ccc(NC[C@@H](O)[C@H]2CCCO2)cc1-c1nn[n-]n1 ZINC001593478198 1167868350 /nfs/dbraw/zinc/86/83/50/1167868350.db2.gz RAHJHHRGOUOTPV-VXGBXAGGSA-N -1 1 320.309 0.727 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1C[C@@H](O)C2(CC2)C1 ZINC001593487169 1167871628 /nfs/dbraw/zinc/87/16/28/1167871628.db2.gz DLROBFZBAGIKGC-MRVPVSSYSA-N -1 1 308.323 0.798 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1C[C@@H](O)C2(CC2)C1 ZINC001593487169 1167871647 /nfs/dbraw/zinc/87/16/47/1167871647.db2.gz DLROBFZBAGIKGC-MRVPVSSYSA-N -1 1 308.323 0.798 20 5 DCBDMM NC(=O)CO[N-]C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001597917657 1168013578 /nfs/dbraw/zinc/01/35/78/1168013578.db2.gz NWIQTWJECFIPJX-UHFFFAOYSA-N -1 1 301.686 0.714 20 5 DCBDMM O=C([O-])[C@@H]1Cc2ccc(O)cc2CN1C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001601863681 1168920533 /nfs/dbraw/zinc/92/05/33/1168920533.db2.gz AXCLAAHCBJDMAF-UTUOFQBUSA-N -1 1 306.274 0.395 20 5 DCBDMM CC[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])C(=O)OC ZINC001604038993 1169476240 /nfs/dbraw/zinc/47/62/40/1169476240.db2.gz BQJNOWCWHVTCDX-SSDOTTSWSA-N -1 1 321.297 0.781 20 5 DCBDMM CC[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])C(=O)OC ZINC001604038993 1169476244 /nfs/dbraw/zinc/47/62/44/1169476244.db2.gz BQJNOWCWHVTCDX-SSDOTTSWSA-N -1 1 321.297 0.781 20 5 DCBDMM CN1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1=O ZINC001604870999 1169721990 /nfs/dbraw/zinc/72/19/90/1169721990.db2.gz JJQOTQPEVKJIJL-QMMMGPOBSA-N -1 1 303.282 0.418 20 5 DCBDMM CN1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1=O ZINC001604870999 1169722004 /nfs/dbraw/zinc/72/20/04/1169722004.db2.gz JJQOTQPEVKJIJL-QMMMGPOBSA-N -1 1 303.282 0.418 20 5 DCBDMM COC(=O)[C@H](CC(C)C)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001604902336 1169737235 /nfs/dbraw/zinc/73/72/35/1169737235.db2.gz GRFNMZDMVIMJGC-ZETCQYMHSA-N -1 1 309.286 0.732 20 5 DCBDMM Cc1cc(NCCCOCCO)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605734040 1169995897 /nfs/dbraw/zinc/99/58/97/1169995897.db2.gz TWJQGVZQQJXFAG-UHFFFAOYSA-N -1 1 322.325 0.894 20 5 DCBDMM Cc1cc(NCCCOCCO)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605734040 1169995901 /nfs/dbraw/zinc/99/59/01/1169995901.db2.gz TWJQGVZQQJXFAG-UHFFFAOYSA-N -1 1 322.325 0.894 20 5 DCBDMM Nc1cc(NCc2cccnn2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001606450940 1170207261 /nfs/dbraw/zinc/20/72/61/1170207261.db2.gz HGXYSQUDTBAWRC-UHFFFAOYSA-N -1 1 313.281 0.759 20 5 DCBDMM Nc1cc(NCc2cccnn2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001606450940 1170207263 /nfs/dbraw/zinc/20/72/63/1170207263.db2.gz HGXYSQUDTBAWRC-UHFFFAOYSA-N -1 1 313.281 0.759 20 5 DCBDMM O=[N+]([O-])c1ccc(OCCn2cc(-c3nn[n-]n3)nn2)cc1 ZINC001607082979 1170383879 /nfs/dbraw/zinc/38/38/79/1170383879.db2.gz XPPKWDMXFSYZSQ-UHFFFAOYSA-N -1 1 302.254 0.445 20 5 DCBDMM CCN(CCOCCO)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001609224623 1170878699 /nfs/dbraw/zinc/87/86/99/1170878699.db2.gz NBPBINIPVACIQH-UHFFFAOYSA-N -1 1 322.325 0.610 20 5 DCBDMM CCN(CCOCCO)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001609224623 1170878709 /nfs/dbraw/zinc/87/87/09/1170878709.db2.gz NBPBINIPVACIQH-UHFFFAOYSA-N -1 1 322.325 0.610 20 5 DCBDMM Cc1[nH]nc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1-c1nn[n-]n1 ZINC001609444535 1170978138 /nfs/dbraw/zinc/97/81/38/1170978138.db2.gz HRIKEJYMLJSMKC-UHFFFAOYSA-N -1 1 315.253 0.454 20 5 DCBDMM O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc([N+](=O)[O-])c1 ZINC001609538068 1171013027 /nfs/dbraw/zinc/01/30/27/1171013027.db2.gz PGRJSTYHTMARHC-UHFFFAOYSA-N -1 1 315.253 0.005 20 5 DCBDMM O=[N+]([O-])c1cnn(CCNc2ccnc(-c3nnn[n-]3)c2)c1 ZINC001609604383 1171039901 /nfs/dbraw/zinc/03/99/01/1171039901.db2.gz LZLRORAHQKSFJI-UHFFFAOYSA-N -1 1 301.270 0.479 20 5 DCBDMM O=[N+]([O-])c1cnn(CCNc2ccnc(-c3nn[n-]n3)c2)c1 ZINC001609604383 1171039908 /nfs/dbraw/zinc/03/99/08/1171039908.db2.gz LZLRORAHQKSFJI-UHFFFAOYSA-N -1 1 301.270 0.479 20 5 DCBDMM CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H](C(=O)[O-])C1 ZINC001610136722 1171169457 /nfs/dbraw/zinc/16/94/57/1171169457.db2.gz NAQDJIPXIQGXCM-SNVBAGLBSA-N -1 1 307.306 0.683 20 5 DCBDMM CNc1ccc(C(=O)NC2(c3nn[n-]n3)CCC2)cc1[N+](=O)[O-] ZINC001651218574 1173744402 /nfs/dbraw/zinc/74/44/02/1173744402.db2.gz NIHUFZKLVZUGSE-UHFFFAOYSA-N -1 1 317.309 0.959 20 5 DCBDMM CC(C)([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1ncc[nH]1 ZINC001671356415 1175009482 /nfs/dbraw/zinc/00/94/82/1175009482.db2.gz QQTCUWAVUUTWGC-UHFFFAOYSA-N -1 1 311.323 0.927 20 5 DCBDMM Cc1nnc2n1CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]2C ZINC001160138617 772000395 /nfs/dbraw/zinc/00/03/95/772000395.db2.gz YXZMECVMZGBIEB-SSDOTTSWSA-N -1 1 318.293 0.812 20 5 DCBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1OC(=O)[C@@H](O)CC ZINC001226309366 775796347 /nfs/dbraw/zinc/79/63/47/775796347.db2.gz FHGQOCPEPICUHM-ZETCQYMHSA-N -1 1 314.250 0.548 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/nfs/dbraw/zinc/56/96/03/609569603.db2.gz ZAWOPUJWBAFSFI-JGVFFNPUSA-N -1 1 305.298 0.377 20 5 DCBDMM C[C@H](O)[C@@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000824691287 609569606 /nfs/dbraw/zinc/56/96/06/609569606.db2.gz ZAWOPUJWBAFSFI-JGVFFNPUSA-N -1 1 305.298 0.377 20 5 DCBDMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C(=O)O1 ZINC000918194016 665159926 /nfs/dbraw/zinc/15/99/26/665159926.db2.gz IPFJCPVLNMHHSQ-XPUUQOCRSA-N -1 1 318.282 0.716 20 5 DCBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H](CO)C1CC1 ZINC000751417034 668001009 /nfs/dbraw/zinc/00/10/09/668001009.db2.gz FIHHTUOZOIIBIB-SECBINFHSA-N -1 1 304.299 0.783 20 5 DCBDMM CCOC(=O)[C@@H](C)[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000754794093 668051003 /nfs/dbraw/zinc/05/10/03/668051003.db2.gz SESAJYKWJQALFW-SSDOTTSWSA-N -1 1 320.327 0.041 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-][C@H](CCO)C2CC2)c([N+](=O)[O-])n1 ZINC000754806828 668051412 /nfs/dbraw/zinc/05/14/12/668051412.db2.gz WRBFXDVCMWZCMD-SECBINFHSA-N -1 1 318.355 0.251 20 5 DCBDMM C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1nncn1C ZINC000768807104 668622281 /nfs/dbraw/zinc/62/22/81/668622281.db2.gz IBWWGAOIOJWKHA-LURJTMIESA-N -1 1 317.352 0.824 20 5 DCBDMM CON(C)CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000849406458 670792051 /nfs/dbraw/zinc/79/20/51/670792051.db2.gz HYJCZYHKTKRZEP-UHFFFAOYSA-N -1 1 307.303 0.505 20 5 DCBDMM COCc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842331431 672005583 /nfs/dbraw/zinc/00/55/83/672005583.db2.gz UMXLZXMVPCUOIB-NXEZZACHSA-N -1 1 314.319 0.303 20 5 DCBDMM CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC000842333966 672006221 /nfs/dbraw/zinc/00/62/21/672006221.db2.gz PAIPWLSWWXWKTK-RKDXNWHRSA-N -1 1 316.339 0.009 20 5 DCBDMM Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1c([N+](=O)[O-])ncn1C ZINC001581727218 1165862383 /nfs/dbraw/zinc/86/23/83/1165862383.db2.gz NKYYNMIIPMCCEQ-UHFFFAOYSA-N -1 1 318.253 0.662 20 5 DCBDMM Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1c([N+](=O)[O-])ncn1C ZINC001581727218 1165862389 /nfs/dbraw/zinc/86/23/89/1165862389.db2.gz NKYYNMIIPMCCEQ-UHFFFAOYSA-N -1 1 318.253 0.662 20 5 DCBDMM C[C@H](C(=O)NC(C)(C)C)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001588965932 1166624214 /nfs/dbraw/zinc/62/42/14/1166624214.db2.gz POENCOCSPSYOJC-ZCFIWIBFSA-N -1 1 308.302 0.447 20 5 DCBDMM CC(C)N(C(=O)Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1)C(C)C ZINC001589673074 1166671939 /nfs/dbraw/zinc/67/19/39/1166671939.db2.gz RQQXJIVOLYKAGS-UHFFFAOYSA-N -1 1 322.329 0.617 20 5 DCBDMM CC(C)c1nnc(Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)s1 ZINC001589778246 1166685165 /nfs/dbraw/zinc/68/51/65/1166685165.db2.gz BGGQDFVXQXAOKA-UHFFFAOYSA-N -1 1 321.326 0.995 20 5 DCBDMM C[C@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@]1(C)CO ZINC001590318152 1166863955 /nfs/dbraw/zinc/86/39/55/1166863955.db2.gz QPNXXJHTVXXGBQ-ISVAXAHUSA-N -1 1 319.325 0.625 20 5 DCBDMM C[C@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@]1(C)CO ZINC001590318152 1166863964 /nfs/dbraw/zinc/86/39/64/1166863964.db2.gz QPNXXJHTVXXGBQ-ISVAXAHUSA-N -1 1 319.325 0.625 20 5 DCBDMM C[C@@H]1OCC[C@@]1(O)CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001590333538 1166871453 /nfs/dbraw/zinc/87/14/53/1166871453.db2.gz HQWYIRCKGFAMLF-ISVAXAHUSA-N -1 1 320.309 0.727 20 5 DCBDMM CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C[C@H]1O ZINC001590522547 1166933218 /nfs/dbraw/zinc/93/32/18/1166933218.db2.gz RDFQYLLEMYQJCD-PRHODGIISA-N -1 1 304.310 0.982 20 5 DCBDMM CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C[C@H]1O ZINC001590522547 1166933225 /nfs/dbraw/zinc/93/32/25/1166933225.db2.gz RDFQYLLEMYQJCD-PRHODGIISA-N -1 1 304.310 0.982 20 5 DCBDMM CCCN(CCC)C(=O)Cn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001590622934 1166950635 /nfs/dbraw/zinc/95/06/35/1166950635.db2.gz QFBZSYJIEJJJIL-UHFFFAOYSA-N -1 1 322.329 0.620 20 5 DCBDMM CCCNC(=O)CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001590638320 1166959240 /nfs/dbraw/zinc/95/92/40/1166959240.db2.gz YWVRGFJXKVSANU-UHFFFAOYSA-N -1 1 311.327 0.775 20 5 DCBDMM CCCNC(=O)CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001590638320 1166959244 /nfs/dbraw/zinc/95/92/44/1166959244.db2.gz YWVRGFJXKVSANU-UHFFFAOYSA-N -1 1 311.327 0.775 20 5 DCBDMM CN1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1=O ZINC001591193099 1167143230 /nfs/dbraw/zinc/14/32/30/1167143230.db2.gz RNVJBFZRTNSPNU-UHFFFAOYSA-N -1 1 303.282 0.053 20 5 DCBDMM CN1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1=O ZINC001591193099 1167143233 /nfs/dbraw/zinc/14/32/33/1167143233.db2.gz RNVJBFZRTNSPNU-UHFFFAOYSA-N -1 1 303.282 0.053 20 5 DCBDMM CO[C@](C)(CO)CNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591318862 1167211663 /nfs/dbraw/zinc/21/16/63/1167211663.db2.gz MPLPPTGIGRGRLC-LBPRGKRZSA-N -1 1 323.313 0.166 20 5 DCBDMM CO[C@](C)(CO)CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591318862 1167211670 /nfs/dbraw/zinc/21/16/70/1167211670.db2.gz MPLPPTGIGRGRLC-LBPRGKRZSA-N -1 1 323.313 0.166 20 5 DCBDMM COc1ccc(Cn2cc(-c3nn[n-]n3)nn2)cc1[N+](=O)[O-] ZINC001591604990 1167336375 /nfs/dbraw/zinc/33/63/75/1167336375.db2.gz VBVDZYGDTPUBGS-UHFFFAOYSA-N -1 1 302.254 0.423 20 5 DCBDMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC001592753216 1167632031 /nfs/dbraw/zinc/63/20/31/1167632031.db2.gz TVVOVDQBEYKVRB-UHFFFAOYSA-N -1 1 318.228 0.381 20 5 DCBDMM Nc1cc(NC[C@H]2CCC[C@@H]2O)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592759666 1167636148 /nfs/dbraw/zinc/63/61/48/1167636148.db2.gz GBDSXSBDFKOFLS-HQJQHLMTSA-N -1 1 319.325 0.930 20 5 DCBDMM Nc1cc(NC[C@H]2CCC[C@@H]2O)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592759666 1167636150 /nfs/dbraw/zinc/63/61/50/1167636150.db2.gz GBDSXSBDFKOFLS-HQJQHLMTSA-N -1 1 319.325 0.930 20 5 DCBDMM O=C1OC[C@H]2CN(c3ccc(-c4nn[n-]n4)c([N+](=O)[O-])c3)C[C@@H]12 ZINC001593413558 1167825140 /nfs/dbraw/zinc/82/51/40/1167825140.db2.gz TUPOMXIAILQEPD-GMSGAONNSA-N -1 1 316.277 0.384 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CC[C@@H](O)[C@H](F)C1 ZINC001593466916 1167856798 /nfs/dbraw/zinc/85/67/98/1167856798.db2.gz PJZZKXPJFHNUGN-PSASIEDQSA-N -1 1 308.273 0.684 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CC[C@@H](O)[C@H](F)C1 ZINC001593466916 1167856800 /nfs/dbraw/zinc/85/68/00/1167856800.db2.gz PJZZKXPJFHNUGN-PSASIEDQSA-N -1 1 308.273 0.684 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)cccc1N1CC[C@@](F)(CO)C1 ZINC001593466283 1167858750 /nfs/dbraw/zinc/85/87/50/1167858750.db2.gz HBPIMTSWARLROE-LBPRGKRZSA-N -1 1 308.273 0.686 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)cccc1N1CC[C@@](F)(CO)C1 ZINC001593466283 1167858759 /nfs/dbraw/zinc/85/87/59/1167858759.db2.gz HBPIMTSWARLROE-LBPRGKRZSA-N -1 1 308.273 0.686 20 5 DCBDMM O=[N+]([O-])c1cc(NCCCn2ccnn2)ccc1-c1nn[n-]n1 ZINC001593473713 1167860893 /nfs/dbraw/zinc/86/08/93/1167860893.db2.gz KATFUQRJRVRGON-UHFFFAOYSA-N -1 1 315.297 0.869 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NC[C@H]1COCCO1 ZINC001593487688 1167871292 /nfs/dbraw/zinc/87/12/92/1167871292.db2.gz FBIFHZTVRFURFF-LURJTMIESA-N -1 1 312.311 0.664 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NC[C@H]1COCCO1 ZINC001593487688 1167871301 /nfs/dbraw/zinc/87/13/01/1167871301.db2.gz FBIFHZTVRFURFF-LURJTMIESA-N -1 1 312.311 0.664 20 5 DCBDMM Cc1noc(CN2CCN(CCC(=O)[O-])C[C@@H]2C)c1[N+](=O)[O-] ZINC001600813282 1168342289 /nfs/dbraw/zinc/34/22/89/1168342289.db2.gz VPNYUEMWZNYSHX-VIFPVBQESA-N -1 1 312.326 0.872 20 5 DCBDMM O=C([O-])COc1ccc(CN2CC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC001602083161 1168991122 /nfs/dbraw/zinc/99/11/22/1168991122.db2.gz JGWIQYHUJYWPQW-LLVKDONJSA-N -1 1 310.306 0.872 20 5 DCBDMM C[C@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ncn(C)n1 ZINC001603688479 1169351758 /nfs/dbraw/zinc/35/17/58/1169351758.db2.gz SFLHUWGULJSQAB-LURJTMIESA-N -1 1 316.285 0.472 20 5 DCBDMM C[C@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ncn(C)n1 ZINC001603688479 1169351760 /nfs/dbraw/zinc/35/17/60/1169351760.db2.gz SFLHUWGULJSQAB-LURJTMIESA-N -1 1 316.285 0.472 20 5 DCBDMM C[C@H](C[C@H](C)O)Nc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001603695121 1169358979 /nfs/dbraw/zinc/35/89/79/1169358979.db2.gz HYGRUAIBBGDDIY-RQJHMYQMSA-N -1 1 307.314 0.928 20 5 DCBDMM C[C@H](C[C@H](C)O)Nc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001603695121 1169358989 /nfs/dbraw/zinc/35/89/89/1169358989.db2.gz HYGRUAIBBGDDIY-RQJHMYQMSA-N -1 1 307.314 0.928 20 5 DCBDMM C[C@]1(C(N)=O)CCN(c2cc(-c3nnn[n-]3)sc2[N+](=O)[O-])C1 ZINC001603755170 1169377738 /nfs/dbraw/zinc/37/77/38/1169377738.db2.gz LPWZMXIRDLYEMS-NSHDSACASA-N -1 1 323.338 0.538 20 5 DCBDMM C[C@]1(C(N)=O)CCN(c2cc(-c3nn[n-]n3)sc2[N+](=O)[O-])C1 ZINC001603755170 1169377748 /nfs/dbraw/zinc/37/77/48/1169377748.db2.gz LPWZMXIRDLYEMS-NSHDSACASA-N -1 1 323.338 0.538 20 5 DCBDMM CCCNC(=O)CNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001604221979 1169528789 /nfs/dbraw/zinc/52/87/89/1169528789.db2.gz LXJCINRYDUFVNK-UHFFFAOYSA-N -1 1 320.313 0.295 20 5 DCBDMM CCCNC(=O)CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001604221979 1169528795 /nfs/dbraw/zinc/52/87/95/1169528795.db2.gz LXJCINRYDUFVNK-UHFFFAOYSA-N -1 1 320.313 0.295 20 5 DCBDMM CN(C[C@H]1COCCO1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001604736051 1169666583 /nfs/dbraw/zinc/66/65/83/1169666583.db2.gz KWTWJOPEARCCAE-QMMMGPOBSA-N -1 1 321.297 0.022 20 5 DCBDMM CN(C[C@H]1COCCO1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001604736051 1169666589 /nfs/dbraw/zinc/66/65/89/1169666589.db2.gz KWTWJOPEARCCAE-QMMMGPOBSA-N -1 1 321.297 0.022 20 5 DCBDMM CO[C@@]1(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CCOC1 ZINC001605019989 1169781940 /nfs/dbraw/zinc/78/19/40/1169781940.db2.gz BUOCKOSUHRONNC-CYBMUJFWSA-N -1 1 320.309 0.992 20 5 DCBDMM CO[C@@]1(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CCOC1 ZINC001605019989 1169781947 /nfs/dbraw/zinc/78/19/47/1169781947.db2.gz BUOCKOSUHRONNC-CYBMUJFWSA-N -1 1 320.309 0.992 20 5 DCBDMM Cc1ccnc(NCCn2cnc(-c3nn[n-]n3)n2)c1[N+](=O)[O-] ZINC001605959208 1170038016 /nfs/dbraw/zinc/03/80/16/1170038016.db2.gz DVSPQYCZVYSRQL-UHFFFAOYSA-N -1 1 316.285 0.182 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1cccc[n+]1[O-] ZINC001607078203 1170382726 /nfs/dbraw/zinc/38/27/26/1170382726.db2.gz OMUOWIXSDRMCCN-UHFFFAOYSA-N -1 1 301.222 0.596 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1cccc[n+]1[O-] ZINC001607078203 1170382731 /nfs/dbraw/zinc/38/27/31/1170382731.db2.gz OMUOWIXSDRMCCN-UHFFFAOYSA-N -1 1 301.222 0.596 20 5 DCBDMM C[C@H](CO)[C@H](C)Nc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001609114424 1170814724 /nfs/dbraw/zinc/81/47/24/1170814724.db2.gz IIPAKKVPKXXSKR-RQJHMYQMSA-N -1 1 307.314 0.786 20 5 DCBDMM C[C@H](CO)[C@H](C)Nc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001609114424 1170814728 /nfs/dbraw/zinc/81/47/28/1170814728.db2.gz IIPAKKVPKXXSKR-RQJHMYQMSA-N -1 1 307.314 0.786 20 5 DCBDMM C[C@@]1(C(N)=O)CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001609143848 1170825630 /nfs/dbraw/zinc/82/56/30/1170825630.db2.gz ZDKUZKMVURWZMO-CYBMUJFWSA-N -1 1 317.309 0.477 20 5 DCBDMM C[C@@]1(C(N)=O)CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001609143848 1170825637 /nfs/dbraw/zinc/82/56/37/1170825637.db2.gz ZDKUZKMVURWZMO-CYBMUJFWSA-N -1 1 317.309 0.477 20 5 DCBDMM CCN(C)C(=O)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609220706 1170874586 /nfs/dbraw/zinc/87/45/86/1170874586.db2.gz LESWFYAILGOZPZ-UHFFFAOYSA-N -1 1 306.286 0.060 20 5 DCBDMM CCN(C)C(=O)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609220706 1170874596 /nfs/dbraw/zinc/87/45/96/1170874596.db2.gz LESWFYAILGOZPZ-UHFFFAOYSA-N -1 1 306.286 0.060 20 5 DCBDMM CCNC(=O)CN(C)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001609229248 1170886258 /nfs/dbraw/zinc/88/62/58/1170886258.db2.gz OEBQRNOSYIEEOQ-UHFFFAOYSA-N -1 1 305.298 0.347 20 5 DCBDMM COC(=O)[C@H](C)CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609292715 1170916969 /nfs/dbraw/zinc/91/69/69/1170916969.db2.gz UROIYGISMLPATA-SSDOTTSWSA-N -1 1 306.282 0.996 20 5 DCBDMM COC(=O)[C@H](C)CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609292715 1170916973 /nfs/dbraw/zinc/91/69/73/1170916973.db2.gz UROIYGISMLPATA-SSDOTTSWSA-N -1 1 306.282 0.996 20 5 DCBDMM Nc1cc(NCCc2cn[nH]c2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609511053 1171004171 /nfs/dbraw/zinc/00/41/71/1171004171.db2.gz VECLCLVKMKNZPN-UHFFFAOYSA-N -1 1 315.297 0.735 20 5 DCBDMM Nc1cc(NCCc2cn[nH]c2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609511053 1171004176 /nfs/dbraw/zinc/00/41/76/1171004176.db2.gz VECLCLVKMKNZPN-UHFFFAOYSA-N -1 1 315.297 0.735 20 5 DCBDMM Nc1cc(NCCC2(CO)CC2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609510775 1171005283 /nfs/dbraw/zinc/00/52/83/1171005283.db2.gz GJGHCPWCWLMEAQ-UHFFFAOYSA-N -1 1 319.325 0.932 20 5 DCBDMM Nc1cc(NCCC2(CO)CC2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609510775 1171005292 /nfs/dbraw/zinc/00/52/92/1171005292.db2.gz GJGHCPWCWLMEAQ-UHFFFAOYSA-N -1 1 319.325 0.932 20 5 DCBDMM O=C(CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)NC1CC1 ZINC001609527682 1171008738 /nfs/dbraw/zinc/00/87/38/1171008738.db2.gz PSRCKPVVERMPTA-UHFFFAOYSA-N -1 1 303.282 0.465 20 5 DCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCCn2nccc21 ZINC001622488461 1171426090 /nfs/dbraw/zinc/42/60/90/1171426090.db2.gz DHKFUEDHJDXUIA-VIFPVBQESA-N -1 1 323.334 1.000 20 5 DCBDMM 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O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1cc[nH]n1 ZINC001593465640 1167852909 /nfs/dbraw/zinc/85/29/09/1167852909.db2.gz UGUJCZVLEVVIKZ-UHFFFAOYSA-N -1 1 301.270 0.548 20 5 DCBDMM O=[N+]([O-])c1cc(Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)cs1 ZINC001593471638 1167861327 /nfs/dbraw/zinc/86/13/27/1167861327.db2.gz QHBXWYSJPULWKU-UHFFFAOYSA-N -1 1 322.266 0.989 20 5 DCBDMM O=[N+]([O-])c1cn(CC2(Br)CC2)nc1-c1nn[n-]n1 ZINC001593487103 1167871145 /nfs/dbraw/zinc/87/11/45/1167871145.db2.gz UAXBMKMBQWQREM-UHFFFAOYSA-N -1 1 314.103 0.899 20 5 DCBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H](c2ncon2)C1 ZINC001595640679 1167975188 /nfs/dbraw/zinc/97/51/88/1167975188.db2.gz CZEITXJJSIPHJZ-SSDOTTSWSA-N -1 1 305.250 0.708 20 5 DCBDMM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)c1 ZINC001600487203 1168190901 /nfs/dbraw/zinc/19/09/01/1168190901.db2.gz SCIWVQPSXCZONP-NSHDSACASA-N -1 1 321.333 0.992 20 5 DCBDMM CC[C@]1(O)CCN(c2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001604094454 1169492324 /nfs/dbraw/zinc/49/23/24/1169492324.db2.gz ZZTMVEVUKRRBDD-ZDUSSCGKSA-N -1 1 319.325 0.708 20 5 DCBDMM CC[C@]1(O)CCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001604094454 1169492325 /nfs/dbraw/zinc/49/23/25/1169492325.db2.gz ZZTMVEVUKRRBDD-ZDUSSCGKSA-N -1 1 319.325 0.708 20 5 DCBDMM CCC[C@H](O)[C@H](CO)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001604143758 1169504928 /nfs/dbraw/zinc/50/49/28/1169504928.db2.gz BEFLKVVMSQOGPS-JQWIXIFHSA-N -1 1 322.325 0.709 20 5 DCBDMM CN(c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)[C@H]1C[C@@H](C(N)=O)C1 ZINC001604828800 1169699907 /nfs/dbraw/zinc/69/99/07/1169699907.db2.gz XLFNHUUQWQIHJM-OTSSQURYSA-N -1 1 317.309 0.475 20 5 DCBDMM COC[C@](C)(O)CNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605044879 1169793125 /nfs/dbraw/zinc/79/31/25/1169793125.db2.gz RCCNDMRVSIPONI-GFCCVEGCSA-N -1 1 308.298 0.584 20 5 DCBDMM COC[C@](C)(O)CNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605044879 1169793129 /nfs/dbraw/zinc/79/31/29/1169793129.db2.gz RCCNDMRVSIPONI-GFCCVEGCSA-N -1 1 308.298 0.584 20 5 DCBDMM COC[C@@H](O)CNc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001605127931 1169835410 /nfs/dbraw/zinc/83/54/10/1169835410.db2.gz JUNSVEBHRGSXDM-YFKPBYRVSA-N -1 1 300.300 0.256 20 5 DCBDMM COC[C@@H](O)CNc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001605127931 1169835420 /nfs/dbraw/zinc/83/54/20/1169835420.db2.gz JUNSVEBHRGSXDM-YFKPBYRVSA-N -1 1 300.300 0.256 20 5 DCBDMM Cn1c(C(=O)Nc2n[nH]cc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001606213438 1170117069 /nfs/dbraw/zinc/11/70/69/1170117069.db2.gz WTZDSGMDUVBUBT-UHFFFAOYSA-N -1 1 303.242 0.089 20 5 DCBDMM Cn1c(C(=O)Nc2n[nH]cc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001606213438 1170117073 /nfs/dbraw/zinc/11/70/73/1170117073.db2.gz WTZDSGMDUVBUBT-UHFFFAOYSA-N -1 1 303.242 0.089 20 5 DCBDMM NC(=O)C1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001606409591 1170189291 /nfs/dbraw/zinc/18/92/91/1170189291.db2.gz QZEPBVHKQRHZCU-UHFFFAOYSA-N -1 1 317.309 0.477 20 5 DCBDMM NC(=O)C1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001606409591 1170189295 /nfs/dbraw/zinc/18/92/95/1170189295.db2.gz QZEPBVHKQRHZCU-UHFFFAOYSA-N -1 1 317.309 0.477 20 5 DCBDMM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC001606446533 1170205853 /nfs/dbraw/zinc/20/58/53/1170205853.db2.gz TUJKTVWVRNRPLM-UHFFFAOYSA-N -1 1 318.228 0.381 20 5 DCBDMM Cc1c(C(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC001607507483 1170470017 /nfs/dbraw/zinc/47/00/17/1170470017.db2.gz QAZWAKWDTUULBA-NSHDSACASA-N -1 1 321.333 0.992 20 5 DCBDMM COC(=O)C1(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001609294273 1170917081 /nfs/dbraw/zinc/91/70/81/1170917081.db2.gz DSEFGAXQNHNDRN-UHFFFAOYSA-N -1 1 319.281 0.535 20 5 DCBDMM COC(=O)C1(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC001609294273 1170917084 /nfs/dbraw/zinc/91/70/84/1170917084.db2.gz DSEFGAXQNHNDRN-UHFFFAOYSA-N -1 1 319.281 0.535 20 5 DCBDMM O=c1ccc([N+](=O)[O-])cn1Cc1nc2c(c(=O)[n-]1)COCC2 ZINC001613180988 1171367721 /nfs/dbraw/zinc/36/77/21/1171367721.db2.gz CPOXLAJLHDWEDG-UHFFFAOYSA-N -1 1 304.262 0.373 20 5 DCBDMM COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001636503031 1171739687 /nfs/dbraw/zinc/73/96/87/1171739687.db2.gz YKTVIUINGTYBSW-QMMMGPOBSA-N -1 1 318.293 0.746 20 5 DCBDMM COc1c(C(=O)N2CC[C@H](c3nn[n-]n3)C2)cccc1[N+](=O)[O-] ZINC001636501271 1171740253 /nfs/dbraw/zinc/74/02/53/1171740253.db2.gz FQRDXBDUJPHWQJ-QMMMGPOBSA-N -1 1 318.293 0.746 20 5 DCBDMM COC(=O)[C@]12C[C@H]1CCCN2C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001645143958 1172028969 /nfs/dbraw/zinc/02/89/69/1172028969.db2.gz SFWFVPBODCKBOC-OTYXRUKQSA-N -1 1 321.289 0.863 20 5 DCBDMM O=C(N[C@H]1CCCC12OCCO2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001645954557 1172195923 /nfs/dbraw/zinc/19/59/23/1172195923.db2.gz ROLMFJCESHLXOT-JTQLQIEISA-N -1 1 309.278 0.721 20 5 DCBDMM CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@@H]1CCCCN(C)C1=O ZINC001654766338 1173811395 /nfs/dbraw/zinc/81/13/95/1173811395.db2.gz IWFHEYXYEMMWCF-LLVKDONJSA-N -1 1 322.321 0.778 20 5 DCBDMM CCC[C@H](CCO)[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC001656416685 1173859942 /nfs/dbraw/zinc/85/99/42/1173859942.db2.gz PYPAHQVBXNUVON-SECBINFHSA-N -1 1 320.371 0.641 20 5 DCBDMM O=C([O-])[C@H](CC1CC1)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001601640134 1168799573 /nfs/dbraw/zinc/79/95/73/1168799573.db2.gz ZFTQIJBSEPDCPO-QMMMGPOBSA-N -1 1 315.307 0.521 20 5 DCBDMM CCN(C1CCCCC1)S(=O)(=O)[N-]C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001331514278 951152303 /nfs/dbraw/zinc/15/23/03/951152303.db2.gz JNWHPRWJKVPXJR-GHMZBOCLSA-N -1 1 319.383 0.667 20 5 DCBDMM COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@]2(C(=O)[O-])CCOC2)c1 ZINC001593885573 955743458 /nfs/dbraw/zinc/74/34/58/955743458.db2.gz ATBPAOXOCZHYBA-AWEZNQCLSA-N -1 1 324.289 0.715 20 5 DCBDMM Cn1nccc1[C@@H](NCc1cc(O)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001594594204 956071927 /nfs/dbraw/zinc/07/19/27/956071927.db2.gz CDKLVKHYSSIUDY-GFCCVEGCSA-N -1 1 306.278 0.949 20 5 DCBDMM O=c1[n-]c(Cn2cccc([N+](=O)[O-])c2=O)nc2c1COCC2 ZINC001307298858 960146598 /nfs/dbraw/zinc/14/65/98/960146598.db2.gz OKDGSLRYRNSEMK-UHFFFAOYSA-N -1 1 304.262 0.373 20 5 DCBDMM CNC(=O)C[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001309041213 960189725 /nfs/dbraw/zinc/18/97/25/960189725.db2.gz FMMGJVXZAYYUOR-UHFFFAOYSA-N -1 1 305.287 0.067 20 5 DCBDMM C[C@H]1C[C@@H]([N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C(=O)O1 ZINC001309550362 960200656 /nfs/dbraw/zinc/20/06/56/960200656.db2.gz YEGPMIXNZWINPT-GZMMTYOYSA-N -1 1 314.319 0.718 20 5 DCBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1COCO1 ZINC001309570869 960201668 /nfs/dbraw/zinc/20/16/68/960201668.db2.gz NJGKDRFHBZWHCV-QMMMGPOBSA-N -1 1 322.726 0.899 20 5 DCBDMM C[C@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@@H](C(=O)[O-])O1 ZINC001599924578 985183072 /nfs/dbraw/zinc/18/30/72/985183072.db2.gz OUGLEMLCJORCNV-CPCISQLKSA-N -1 1 310.262 0.615 20 5 DCBDMM CCc1nn(C)c(N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c1[N+](=O)[O-] ZINC000288418670 186596230 /nfs/dbraw/zinc/59/62/30/186596230.db2.gz MDKRRTRXBUUOBY-QMMMGPOBSA-N -1 1 321.341 0.686 20 5 DCBDMM O=C(NCc1cnc2nccn2c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000572387877 291565680 /nfs/dbraw/zinc/56/56/80/291565680.db2.gz XPBOPRPIBKBCSL-UHFFFAOYSA-N -1 1 314.261 0.668 20 5 DCBDMM COC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000279505513 130749934 /nfs/dbraw/zinc/74/99/34/130749934.db2.gz PQCGHROLGXQXCG-ONGXEEELSA-N -1 1 311.294 0.619 20 5 DCBDMM CCS(=O)(=O)CCN(C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000270480820 395775488 /nfs/dbraw/zinc/77/54/88/395775488.db2.gz DOFNSPKVYKFKTH-UHFFFAOYSA-N -1 1 317.323 0.202 20 5 DCBDMM COc1cc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000274766775 395974695 /nfs/dbraw/zinc/97/46/95/395974695.db2.gz KYWAGIKQXGODQC-MRVPVSSYSA-N -1 1 320.309 0.992 20 5 DCBDMM C[C@H](CC[S@](C)=O)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278076997 396105130 /nfs/dbraw/zinc/10/51/30/396105130.db2.gz GRHDYZBCGNYLPF-GLEHDBDLSA-N -1 1 301.324 0.582 20 5 DCBDMM CCC[C@H]1C(=O)NCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278084345 396105492 /nfs/dbraw/zinc/10/54/92/396105492.db2.gz PKMFZLQGKAWMQE-VIFPVBQESA-N -1 1 308.294 0.436 20 5 DCBDMM C[C@@H](CO[C@H]1CCOC1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278270809 396116208 /nfs/dbraw/zinc/11/62/08/396116208.db2.gz YFQAQTQADPCGRA-WPRPVWTQSA-N -1 1 311.294 0.619 20 5 DCBDMM COC[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@@H]1CCCO1 ZINC000279092846 396152619 /nfs/dbraw/zinc/15/26/19/396152619.db2.gz BOGSYJYMARWBIR-QWRGUYRKSA-N -1 1 311.294 0.619 20 5 DCBDMM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCO[C@@H](c2nn[nH]n2)C1 ZINC000371608495 396472017 /nfs/dbraw/zinc/47/20/17/396472017.db2.gz RKBJNDAVQMQMAM-SNVBAGLBSA-N -1 1 320.265 0.027 20 5 DCBDMM CCOC(=O)c1c[n-]c(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])n1 ZINC000585681708 396648564 /nfs/dbraw/zinc/64/85/64/396648564.db2.gz DJVXAILCLYCVNY-UHFFFAOYSA-N -1 1 308.254 0.778 20 5 DCBDMM O=C(N[C@@H]1CCCN(CCCO)C1)c1cccc([N+](=O)[O-])c1[O-] ZINC000295547716 396700059 /nfs/dbraw/zinc/70/00/59/396700059.db2.gz SPWZFKMHXYXGAK-LLVKDONJSA-N -1 1 323.349 0.877 20 5 DCBDMM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@@H](c3nc[nH]n3)C2)n1 ZINC000564731412 396863728 /nfs/dbraw/zinc/86/37/28/396863728.db2.gz DWFZKCLWVFJKDE-SSDOTTSWSA-N -1 1 304.266 0.800 20 5 DCBDMM C[C@@H](CCCC(=O)[O-])NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000600655326 396906778 /nfs/dbraw/zinc/90/67/78/396906778.db2.gz LAILGAFPQMZIGU-ZETCQYMHSA-N -1 1 320.327 0.250 20 5 DCBDMM CC[C@@](C)(CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000600656879 396907329 /nfs/dbraw/zinc/90/73/29/396907329.db2.gz WNKVKTDEJJQZBI-JTQLQIEISA-N -1 1 320.327 0.108 20 5 DCBDMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)o1 ZINC000593563256 397394627 /nfs/dbraw/zinc/39/46/27/397394627.db2.gz NFJNYCNOHSNDFW-LURJTMIESA-N -1 1 313.295 0.721 20 5 DCBDMM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nn[n-]n1 ZINC000609489151 397777497 /nfs/dbraw/zinc/77/74/97/397777497.db2.gz QXORNDBUPQMCNV-SSDOTTSWSA-N -1 1 308.323 0.905 20 5 DCBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000352616687 415251519 /nfs/dbraw/zinc/25/15/19/415251519.db2.gz VCLSUTOWUDCAHW-UHFFFAOYSA-N -1 1 314.261 0.887 20 5 DCBDMM CNC(=O)[C@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000274951693 415367382 /nfs/dbraw/zinc/36/73/82/415367382.db2.gz IORZBIREIXLRMH-QMMMGPOBSA-N -1 1 308.294 0.294 20 5 DCBDMM C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)N1CCN(C)CC1 ZINC000077615565 415460385 /nfs/dbraw/zinc/46/03/85/415460385.db2.gz OGPLSJROGDVWMR-NSHDSACASA-N -1 1 322.365 0.666 20 5 DCBDMM C[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000280406714 415544283 /nfs/dbraw/zinc/54/42/83/415544283.db2.gz FLOJOKXQIOJEGE-YMTOWFKASA-N -1 1 323.305 0.715 20 5 DCBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@H](n2ccnn2)C1 ZINC000425323189 287316323 /nfs/dbraw/zinc/31/63/23/287316323.db2.gz KQWLHHQXMHTHOE-VIFPVBQESA-N -1 1 318.293 0.764 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-]CC(=O)C(C)(C)C)c([N+](=O)[O-])n1 ZINC000361964470 416535373 /nfs/dbraw/zinc/53/53/73/416535373.db2.gz NSSTYJLRXSIFON-UHFFFAOYSA-N -1 1 318.355 0.705 20 5 DCBDMM C[S@](=O)C1(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCC1 ZINC000438117835 416594582 /nfs/dbraw/zinc/59/45/82/416594582.db2.gz MFHDKWQYGYXOMQ-NRFANRHFSA-N -1 1 313.335 0.726 20 5 DCBDMM COCCN1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000436779953 416569461 /nfs/dbraw/zinc/56/94/61/416569461.db2.gz YEDJTAPCKYWNKZ-SNVBAGLBSA-N -1 1 309.322 0.751 20 5 DCBDMM CCOC[C@@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000443248177 416742598 /nfs/dbraw/zinc/74/25/98/416742598.db2.gz VCIXYQJDXGJCIQ-ZETCQYMHSA-N -1 1 310.353 0.332 20 5 DCBDMM O=C(NCc1nnc2n1CCC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444825197 416872624 /nfs/dbraw/zinc/87/26/24/416872624.db2.gz JHBVYTFQYCEYIS-UHFFFAOYSA-N -1 1 304.266 0.163 20 5 DCBDMM Cn1cnc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000447175305 416965789 /nfs/dbraw/zinc/96/57/89/416965789.db2.gz FZXWUNVBGRXSAP-UHFFFAOYSA-N -1 1 317.352 0.306 20 5 DCBDMM CC[C@@H]1CN(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCO1 ZINC000429456640 416977191 /nfs/dbraw/zinc/97/71/91/416977191.db2.gz SYNCIRNKVFZKGB-LLVKDONJSA-N -1 1 324.337 0.536 20 5 DCBDMM O=C(N[C@H]1CCn2ccnc2C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000429615704 416983528 /nfs/dbraw/zinc/98/35/28/416983528.db2.gz LPOACBBBDCGBSX-QMMMGPOBSA-N -1 1 303.278 0.637 20 5 DCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000525880509 417158414 /nfs/dbraw/zinc/15/84/14/417158414.db2.gz XRVQHFSBGXCEAC-AEJSXWLSSA-N -1 1 313.335 0.836 20 5 DCBDMM C[C@@H](Cc1cnn(C)c1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000412396628 417215696 /nfs/dbraw/zinc/21/56/96/417215696.db2.gz URIZTOFGLYRIET-QMMMGPOBSA-N -1 1 305.294 0.790 20 5 DCBDMM COC[C@@H](CCO)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000219853845 545941126 /nfs/dbraw/zinc/94/11/26/545941126.db2.gz OFINOSWWMWYSRT-MRVPVSSYSA-N -1 1 322.314 0.410 20 5 DCBDMM NC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000420720657 262382735 /nfs/dbraw/zinc/38/27/35/262382735.db2.gz SPIOEGXAFOTETB-RQJHMYQMSA-N -1 1 319.364 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310.310 0.489 20 5 DCBDMM O=[N+]([O-])c1ccc2oc(Cn3cnc(-c4nn[n-]n4)n3)nc2c1 ZINC000823644042 606312047 /nfs/dbraw/zinc/31/20/47/606312047.db2.gz DUZJEJNWWRQPHC-UHFFFAOYSA-N -1 1 313.237 0.556 20 5 DCBDMM Cn1cc(CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cn1 ZINC000822681656 606700038 /nfs/dbraw/zinc/70/00/38/606700038.db2.gz ZVXUVKRQYUBBNO-UHFFFAOYSA-N -1 1 315.297 0.558 20 5 DCBDMM Cn1cc(CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cn1 ZINC000822681656 606700040 /nfs/dbraw/zinc/70/00/40/606700040.db2.gz ZVXUVKRQYUBBNO-UHFFFAOYSA-N -1 1 315.297 0.558 20 5 DCBDMM CCOC(=O)CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821330306 606702630 /nfs/dbraw/zinc/70/26/30/606702630.db2.gz GJAUQUUBSSXIGB-UHFFFAOYSA-N -1 1 307.270 0.535 20 5 DCBDMM CCOC(=O)CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821330306 606702631 /nfs/dbraw/zinc/70/26/31/606702631.db2.gz GJAUQUUBSSXIGB-UHFFFAOYSA-N -1 1 307.270 0.535 20 5 DCBDMM COCC[C@@](C)(O)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821685388 606709799 /nfs/dbraw/zinc/70/97/99/606709799.db2.gz BRXADANJAQLNOC-GFCCVEGCSA-N -1 1 323.313 0.369 20 5 DCBDMM COCC[C@@](C)(O)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821685388 606709800 /nfs/dbraw/zinc/70/98/00/606709800.db2.gz BRXADANJAQLNOC-GFCCVEGCSA-N -1 1 323.313 0.369 20 5 DCBDMM CC1(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])OCCO1 ZINC000824830797 608551884 /nfs/dbraw/zinc/55/18/84/608551884.db2.gz LHPWPGNZNHWKAZ-UHFFFAOYSA-N -1 1 307.270 0.345 20 5 DCBDMM CC1(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])OCCO1 ZINC000824830797 608551885 /nfs/dbraw/zinc/55/18/85/608551885.db2.gz LHPWPGNZNHWKAZ-UHFFFAOYSA-N -1 1 307.270 0.345 20 5 DCBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1COCCO1 ZINC000157126191 658534869 /nfs/dbraw/zinc/53/48/69/658534869.db2.gz YHILDVQGZPPYNJ-QMMMGPOBSA-N -1 1 320.298 0.428 20 5 DCBDMM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@H]1CN(C)CCN1C ZINC000896574782 662294238 /nfs/dbraw/zinc/29/42/38/662294238.db2.gz JPCGMQLYJTZECB-ZWNOBZJWSA-N -1 1 322.365 0.665 20 5 DCBDMM CC(C)C[C@H](O)C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000751277778 667999272 /nfs/dbraw/zinc/99/92/72/667999272.db2.gz ZDYPFXGNKUNNTP-VIFPVBQESA-N -1 1 303.340 0.675 20 5 DCBDMM O=C([N-]N1CCc2ccccc2C1=O)c1[nH]ncc1[N+](=O)[O-] ZINC000780714771 669007986 /nfs/dbraw/zinc/00/79/86/669007986.db2.gz BMEWRLIWNAZZLL-UHFFFAOYSA-N -1 1 301.262 0.661 20 5 DCBDMM CN(C)C(=O)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000047671148 669930529 /nfs/dbraw/zinc/93/05/29/669930529.db2.gz MYDHEVHDPMKEPE-UHFFFAOYSA-N -1 1 305.287 0.100 20 5 DCBDMM CON(C)C(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000859412994 671110741 /nfs/dbraw/zinc/11/07/41/671110741.db2.gz OIISBLUBPMNJSY-ZCFIWIBFSA-N -1 1 323.352 0.343 20 5 DCBDMM CCOC(=O)CCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821325819 671271177 /nfs/dbraw/zinc/27/11/77/671271177.db2.gz OBTDJERQCSLPJH-UHFFFAOYSA-N -1 1 321.297 0.925 20 5 DCBDMM CCOC(=O)CCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821325819 671271178 /nfs/dbraw/zinc/27/11/78/671271178.db2.gz OBTDJERQCSLPJH-UHFFFAOYSA-N -1 1 321.297 0.925 20 5 DCBDMM O=C(N[C@@H]1CCOC12CCOCC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001456953358 1159763336 /nfs/dbraw/zinc/76/33/36/1159763336.db2.gz IOMWTQDGDHXHRN-LLVKDONJSA-N -1 1 323.305 0.763 20 5 DCBDMM C[C@@H](C(=O)NC(C)(C)C)n1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001588965931 1166624989 /nfs/dbraw/zinc/62/49/89/1166624989.db2.gz POENCOCSPSYOJC-LURJTMIESA-N -1 1 308.302 0.447 20 5 DCBDMM C[C@@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@H]1O ZINC001590275851 1166838299 /nfs/dbraw/zinc/83/82/99/1166838299.db2.gz FQMSKMZJKLGFTL-VXNVDRBHSA-N -1 1 305.298 0.377 20 5 DCBDMM C[C@@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@H]1O ZINC001590275851 1166838305 /nfs/dbraw/zinc/83/83/05/1166838305.db2.gz FQMSKMZJKLGFTL-VXNVDRBHSA-N -1 1 305.298 0.377 20 5 DCBDMM C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC[C@@H]1O ZINC001590316990 1166859955 /nfs/dbraw/zinc/85/99/55/1166859955.db2.gz WWGWSHQJMHEPNH-UFBFGSQYSA-N -1 1 304.310 0.982 20 5 DCBDMM C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC[C@@H]1O ZINC001590316990 1166859960 /nfs/dbraw/zinc/85/99/60/1166859960.db2.gz WWGWSHQJMHEPNH-UFBFGSQYSA-N -1 1 304.310 0.982 20 5 DCBDMM C[C@@H]1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C[C@@]1(C)CO ZINC001590318153 1166862498 /nfs/dbraw/zinc/86/24/98/1166862498.db2.gz QPNXXJHTVXXGBQ-OQPBUACISA-N -1 1 319.325 0.625 20 5 DCBDMM C[C@@H]1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[C@@]1(C)CO ZINC001590318153 1166862502 /nfs/dbraw/zinc/86/25/02/1166862502.db2.gz QPNXXJHTVXXGBQ-OQPBUACISA-N -1 1 319.325 0.625 20 5 DCBDMM CCC(=O)N1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001590362310 1166887824 /nfs/dbraw/zinc/88/78/24/1166887824.db2.gz GFBXVTNBDLDSQO-UHFFFAOYSA-N -1 1 317.309 0.791 20 5 DCBDMM CCC(=O)N1CCN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001590362310 1166887828 /nfs/dbraw/zinc/88/78/28/1166887828.db2.gz GFBXVTNBDLDSQO-UHFFFAOYSA-N -1 1 317.309 0.791 20 5 DCBDMM CCCNC(=O)CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001590638023 1166956605 /nfs/dbraw/zinc/95/66/05/1166956605.db2.gz POCVGIJFJLGJRD-UHFFFAOYSA-N -1 1 305.298 0.713 20 5 DCBDMM CCCNC(=O)CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001590638023 1166956612 /nfs/dbraw/zinc/95/66/12/1166956612.db2.gz POCVGIJFJLGJRD-UHFFFAOYSA-N -1 1 305.298 0.713 20 5 DCBDMM CCOC1(C)CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC001590783881 1167018008 /nfs/dbraw/zinc/01/80/08/1167018008.db2.gz KFFMMDCHFPQGRI-UHFFFAOYSA-N -1 1 305.298 0.785 20 5 DCBDMM CCOC1(C)CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC001590783881 1167018014 /nfs/dbraw/zinc/01/80/14/1167018014.db2.gz KFFMMDCHFPQGRI-UHFFFAOYSA-N -1 1 305.298 0.785 20 5 DCBDMM CO[C@H](C)CN(C)c1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591323086 1167214250 /nfs/dbraw/zinc/21/42/50/1167214250.db2.gz NBUVEXKUAAULNR-SSDOTTSWSA-N -1 1 307.314 0.828 20 5 DCBDMM CO[C@H](C)CN(C)c1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591323086 1167214255 /nfs/dbraw/zinc/21/42/55/1167214255.db2.gz NBUVEXKUAAULNR-SSDOTTSWSA-N -1 1 307.314 0.828 20 5 DCBDMM COC[C@@H](O)CNc1cc(C)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591452758 1167290885 /nfs/dbraw/zinc/29/08/85/1167290885.db2.gz RLXJJAKKLPGCGI-VIFPVBQESA-N -1 1 308.298 0.503 20 5 DCBDMM COC[C@@H](O)CNc1cc(C)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591452758 1167290889 /nfs/dbraw/zinc/29/08/89/1167290889.db2.gz RLXJJAKKLPGCGI-VIFPVBQESA-N -1 1 308.298 0.503 20 5 DCBDMM C[S@](=O)CCNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001591684738 1167354096 /nfs/dbraw/zinc/35/40/96/1167354096.db2.gz ZEZBKJWATIDCFL-NRFANRHFSA-N -1 1 311.327 0.148 20 5 DCBDMM C[S@](=O)CCNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001591684738 1167354102 /nfs/dbraw/zinc/35/41/02/1167354102.db2.gz ZEZBKJWATIDCFL-NRFANRHFSA-N -1 1 311.327 0.148 20 5 DCBDMM Cc1nnc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])[nH]1 ZINC001592326935 1167489365 /nfs/dbraw/zinc/48/93/65/1167489365.db2.gz MZTBWSIRWDKUJG-UHFFFAOYSA-N -1 1 302.258 0.209 20 5 DCBDMM Cn1nncc1CNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001592611901 1167585161 /nfs/dbraw/zinc/58/51/61/1167585161.db2.gz WQSXBTVOLQGLQA-UHFFFAOYSA-N -1 1 316.285 0.098 20 5 DCBDMM Cn1nncc1CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001592611901 1167585167 /nfs/dbraw/zinc/58/51/67/1167585167.db2.gz WQSXBTVOLQGLQA-UHFFFAOYSA-N -1 1 316.285 0.098 20 5 DCBDMM O=C(NCc1nc(-c2nnn[n-]2)cs1)c1ccc([N+](=O)[O-])[nH]1 ZINC001593151954 1167726886 /nfs/dbraw/zinc/72/68/86/1167726886.db2.gz NYJKXLJWJYOUQW-UHFFFAOYSA-N -1 1 320.294 0.490 20 5 DCBDMM O=C(NCc1nc(-c2nn[n-]n2)cs1)c1ccc([N+](=O)[O-])[nH]1 ZINC001593151954 1167726896 /nfs/dbraw/zinc/72/68/96/1167726896.db2.gz NYJKXLJWJYOUQW-UHFFFAOYSA-N -1 1 320.294 0.490 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1C[C@H]2[C@@H](C1)C2(F)F ZINC001593466479 1167856603 /nfs/dbraw/zinc/85/66/03/1167856603.db2.gz PYACTJAGCJKDPV-KNVOCYPGSA-N -1 1 309.236 0.871 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1C[C@H]2[C@@H](C1)C2(F)F ZINC001593466479 1167856614 /nfs/dbraw/zinc/85/66/14/1167856614.db2.gz PYACTJAGCJKDPV-KNVOCYPGSA-N -1 1 309.236 0.871 20 5 DCBDMM O=[N+]([O-])c1cc(NCC[C@@]2(O)CCOC2)ccc1-c1nn[n-]n1 ZINC001593475063 1167864685 /nfs/dbraw/zinc/86/46/85/1167864685.db2.gz YECIVCVXKADDAO-CYBMUJFWSA-N -1 1 320.309 0.728 20 5 DCBDMM O=[N+]([O-])c1ccc(NCCO[C@H]2CCOC2)cc1-c1nnn[n-]1 ZINC001593479131 1167867580 /nfs/dbraw/zinc/86/75/80/1167867580.db2.gz VWWJBADDTMIVOF-JTQLQIEISA-N -1 1 320.309 0.992 20 5 DCBDMM O=[N+]([O-])c1ccc(NCCO[C@H]2CCOC2)cc1-c1nn[n-]n1 ZINC001593479131 1167867595 /nfs/dbraw/zinc/86/75/95/1167867595.db2.gz VWWJBADDTMIVOF-JTQLQIEISA-N -1 1 320.309 0.992 20 5 DCBDMM O=[N+]([O-])c1ccsc1NCCn1cnc(-c2nn[n-]n2)n1 ZINC001593486848 1167870513 /nfs/dbraw/zinc/87/05/13/1167870513.db2.gz QOYBSKQKOYQLED-UHFFFAOYSA-N -1 1 307.299 0.540 20 5 DCBDMM O=[N+]([O-])c1cn(Cc2ccc3nccnc3c2)nc1-c1nn[n-]n1 ZINC001593486555 1167874297 /nfs/dbraw/zinc/87/42/97/1167874297.db2.gz ZQALDPKBNMOEFS-UHFFFAOYSA-N -1 1 323.276 0.963 20 5 DCBDMM Cc1nn(CN2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c2ncc([N+](=O)[O-])cc12 ZINC001600788932 1168296650 /nfs/dbraw/zinc/29/66/50/1168296650.db2.gz LHGAVDOTYXKJQM-GDNZZTSVSA-N -1 1 317.305 0.868 20 5 DCBDMM NC(=O)C1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001601144072 1168598705 /nfs/dbraw/zinc/59/87/05/1168598705.db2.gz RFBHRTVLVMAKRE-UHFFFAOYSA-N -1 1 307.306 0.990 20 5 DCBDMM O=C([O-])[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC001601665398 1168809496 /nfs/dbraw/zinc/80/94/96/1168809496.db2.gz VKUWLWHMHWLPMO-FOGDFJRCSA-N -1 1 306.274 0.529 20 5 DCBDMM CC1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nnn[n-]2)C1 ZINC001603938328 1169444709 /nfs/dbraw/zinc/44/47/09/1169444709.db2.gz KNNGZDJAKTYJNI-UHFFFAOYSA-N -1 1 324.322 0.415 20 5 DCBDMM CC1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2nn[n-]n2)C1 ZINC001603938328 1169444714 /nfs/dbraw/zinc/44/47/14/1169444714.db2.gz KNNGZDJAKTYJNI-UHFFFAOYSA-N -1 1 324.322 0.415 20 5 DCBDMM Cc1cc(Cn2cc([N+](=O)[O-])c(-c3nn[n-]n3)n2)nc(C)n1 ZINC001605671718 1169984096 /nfs/dbraw/zinc/98/40/96/1169984096.db2.gz VKXXYILTLWCDLO-UHFFFAOYSA-N -1 1 301.270 0.427 20 5 DCBDMM Cc1cc(N[C@H]2CC(=O)N(C)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001605722554 1169992706 /nfs/dbraw/zinc/99/27/06/1169992706.db2.gz DXCGTRMAQLHPPZ-VIFPVBQESA-N -1 1 317.309 0.726 20 5 DCBDMM Cc1cc(N[C@H]2CC(=O)N(C)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001605722554 1169992713 /nfs/dbraw/zinc/99/27/13/1169992713.db2.gz DXCGTRMAQLHPPZ-VIFPVBQESA-N -1 1 317.309 0.726 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC([C@@H]2CCOC2)C1 ZINC001607077454 1170381910 /nfs/dbraw/zinc/38/19/10/1170381910.db2.gz UYXFFXSCWIRVKC-MRVPVSSYSA-N -1 1 317.309 0.643 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC([C@@H]2CCOC2)C1 ZINC001607077454 1170381915 /nfs/dbraw/zinc/38/19/15/1170381915.db2.gz UYXFFXSCWIRVKC-MRVPVSSYSA-N -1 1 317.309 0.643 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H](O)[C@H]1CCCO1 ZINC001607077563 1170382530 /nfs/dbraw/zinc/38/25/30/1170382530.db2.gz ZGDLPCAECJMBCI-DTWKUNHWSA-N -1 1 321.297 0.122 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H](O)[C@H]1CCCO1 ZINC001607077563 1170382537 /nfs/dbraw/zinc/38/25/37/1170382537.db2.gz ZGDLPCAECJMBCI-DTWKUNHWSA-N -1 1 321.297 0.122 20 5 DCBDMM CCN1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1=O ZINC001609227637 1170882142 /nfs/dbraw/zinc/88/21/42/1170882142.db2.gz GGMIAIWBHLPWAF-VIFPVBQESA-N -1 1 317.309 0.808 20 5 DCBDMM CCN1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1=O ZINC001609227637 1170882154 /nfs/dbraw/zinc/88/21/54/1170882154.db2.gz GGMIAIWBHLPWAF-VIFPVBQESA-N -1 1 317.309 0.808 20 5 DCBDMM COC[C@H]1CN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC001609320783 1170935592 /nfs/dbraw/zinc/93/55/92/1170935592.db2.gz BBSXXDLHLDRLPL-SECBINFHSA-N -1 1 320.309 0.627 20 5 DCBDMM COC[C@H]1CN(c2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC001609320783 1170935597 /nfs/dbraw/zinc/93/55/97/1170935597.db2.gz BBSXXDLHLDRLPL-SECBINFHSA-N -1 1 320.309 0.627 20 5 DCBDMM Nc1cc(N2CCO[C@@H](CF)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001609510764 1171004332 /nfs/dbraw/zinc/00/43/32/1171004332.db2.gz FMMXMZMLBJLFMT-QMMMGPOBSA-N -1 1 323.288 0.532 20 5 DCBDMM Nc1cc(N2CCO[C@@H](CF)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001609510764 1171004336 /nfs/dbraw/zinc/00/43/36/1171004336.db2.gz FMMXMZMLBJLFMT-QMMMGPOBSA-N -1 1 323.288 0.532 20 5 DCBDMM C[C@H](C(=O)NCC(=O)[O-])N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001609635533 1171057433 /nfs/dbraw/zinc/05/74/33/1171057433.db2.gz ZZAZWHHEFDCWNE-SNVBAGLBSA-N -1 1 309.322 0.658 20 5 DCBDMM CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1nn[n-]n1 ZINC001617642806 1171389865 /nfs/dbraw/zinc/38/98/65/1171389865.db2.gz VYVZMKPETUHMLP-UHFFFAOYSA-N -1 1 301.266 0.726 20 5 DCBDMM CCn1ncn([N-]C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c1=O ZINC001636797802 1171749809 /nfs/dbraw/zinc/74/98/09/1171749809.db2.gz DWYPMIOGIAVPKY-UHFFFAOYSA-N -1 1 316.277 0.838 20 5 DCBDMM C[S@](=O)[C@@H]1CC[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC001639109962 1171822147 /nfs/dbraw/zinc/82/21/47/1171822147.db2.gz HQSABPNIHHENLO-FQJNGZCASA-N -1 1 313.335 0.725 20 5 DCBDMM CN(C)Cc1nc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)co1 ZINC001652766389 1173775905 /nfs/dbraw/zinc/77/59/05/1173775905.db2.gz XYKKQJFAAMKRKH-UHFFFAOYSA-N -1 1 321.293 0.675 20 5 DCBDMM COC[C@@H](CO)[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001661746179 1174153708 /nfs/dbraw/zinc/15/37/08/1174153708.db2.gz KVGXZZCGONGDPJ-MRVPVSSYSA-N -1 1 322.314 0.328 20 5 DCBDMM CCNC(=O)C[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001670211035 1174991742 /nfs/dbraw/zinc/99/17/42/1174991742.db2.gz FFBUTHCEZLDLJV-UHFFFAOYSA-N -1 1 319.314 0.457 20 5 DCBDMM Cc1c(C[N-]S(=O)(=O)N=S(C)(C)=O)cccc1[N+](=O)[O-] ZINC001211518562 747282468 /nfs/dbraw/zinc/28/24/68/747282468.db2.gz SEPNCOQZWMAZCL-UHFFFAOYSA-N -1 1 321.380 0.965 20 5 DCBDMM O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCSC[C@H]1c1nn[n-]n1 ZINC001154776458 770293539 /nfs/dbraw/zinc/29/35/39/770293539.db2.gz KQFSRDGRZXWZBY-QMMMGPOBSA-N -1 1 309.311 0.366 20 5 DCBDMM CSc1nc(CNC(=O)c2c([N+](=O)[O-])cnn2C)cc(=O)[n-]1 ZINC001163578557 772542171 /nfs/dbraw/zinc/54/21/71/772542171.db2.gz SYBVCHTWIAWYCX-UHFFFAOYSA-N -1 1 324.322 0.476 20 5 DCBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1OC(=O)C[C@@H](C)O ZINC001226307401 775796437 /nfs/dbraw/zinc/79/64/37/775796437.db2.gz LMGVTRXZIBJYDN-ZCFIWIBFSA-N -1 1 314.250 0.548 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1NCC(F)(F)CO ZINC001593487298 1167873120 /nfs/dbraw/zinc/87/31/20/1167873120.db2.gz BNHISDZAOZCBBU-UHFFFAOYSA-N -1 1 306.254 0.876 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1NCC(F)(F)CO ZINC001593487298 1167873128 /nfs/dbraw/zinc/87/31/28/1167873128.db2.gz BNHISDZAOZCBBU-UHFFFAOYSA-N -1 1 306.254 0.876 20 5 DCBDMM CCc1[nH]nc(C(=O)N(CCOC)CCC(=O)[O-])c1[N+](=O)[O-] ZINC001593625770 953550652 /nfs/dbraw/zinc/55/06/52/953550652.db2.gz VIYRXKASIGRPOM-UHFFFAOYSA-N -1 1 314.298 0.444 20 5 DCBDMM O=C(c1ccc([N+](=O)[O-])cn1)N1CCC(c2nn[n-]n2)CC1 ZINC001302753651 960030831 /nfs/dbraw/zinc/03/08/31/960030831.db2.gz SUQWVGSEEZQCMB-UHFFFAOYSA-N -1 1 303.282 0.523 20 5 DCBDMM O=C(NC[C@H]1C[C@@H]2COC[C@@H]2O1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001303412750 960048637 /nfs/dbraw/zinc/04/86/37/960048637.db2.gz MYFGTQSPHMNTNF-KKZNHRDASA-N -1 1 309.278 0.229 20 5 DCBDMM C[C@H]1C[C@H]([N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C(=O)O1 ZINC001309550364 960201557 /nfs/dbraw/zinc/20/15/57/960201557.db2.gz YEGPMIXNZWINPT-KWQFWETISA-N -1 1 314.319 0.718 20 5 DCBDMM CCS(=O)(=O)CCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001642818375 1171957313 /nfs/dbraw/zinc/95/73/13/1171957313.db2.gz ZEUNKTYRPGCUDK-UHFFFAOYSA-N -1 1 317.323 0.250 20 5 DCBDMM CC(=O)N1CCC(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000264246491 186325319 /nfs/dbraw/zinc/32/53/19/186325319.db2.gz CSGIECHZQMEUPR-UHFFFAOYSA-N -1 1 322.321 0.684 20 5 DCBDMM C[C@@H](CN1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179485542 199043191 /nfs/dbraw/zinc/04/31/91/199043191.db2.gz KWQFKYJGSDQQSQ-NSHDSACASA-N -1 1 322.365 0.666 20 5 DCBDMM NC(=O)[C@H]1CCCC[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000275092836 212116143 /nfs/dbraw/zinc/11/61/43/212116143.db2.gz HFXSJRJWUOXPDK-DTWKUNHWSA-N -1 1 308.294 0.469 20 5 DCBDMM CC(C)C(=O)NCCN(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000275072779 212106322 /nfs/dbraw/zinc/10/63/22/212106322.db2.gz BTEICEOSFPNNJP-UHFFFAOYSA-N -1 1 310.310 0.540 20 5 DCBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(=O)NC(C)(C)C ZINC000274909783 212026525 /nfs/dbraw/zinc/02/65/25/212026525.db2.gz SYPINOZVGHYTAJ-ZETCQYMHSA-N -1 1 310.310 0.728 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-]CCOCC2CC2)c([N+](=O)[O-])n1 ZINC000339042035 253024100 /nfs/dbraw/zinc/02/41/00/253024100.db2.gz XVIJHBVTEHIDHE-UHFFFAOYSA-N -1 1 318.355 0.516 20 5 DCBDMM COC[C@H](O)CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000231600418 395884398 /nfs/dbraw/zinc/88/43/98/395884398.db2.gz QLLAADXLNHHCLE-MRVPVSSYSA-N -1 1 322.314 0.410 20 5 DCBDMM CCOC(=O)N1CC[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000278090370 396105673 /nfs/dbraw/zinc/10/56/73/396105673.db2.gz QAPHMOXHALINJV-SECBINFHSA-N -1 1 324.293 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DCBDMM COC[C@@H]1C[C@@H](O)CN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC001591452708 1167292208 /nfs/dbraw/zinc/29/22/08/1167292208.db2.gz ODNHLSIEPBXVSN-VHSXEESVSA-N -1 1 320.309 0.361 20 5 DCBDMM Cc1noc(COc2cnc(-c3nn[n-]n3)nc2)c1[N+](=O)[O-] ZINC001592462179 1167531450 /nfs/dbraw/zinc/53/14/50/1167531450.db2.gz IBFSNEDHABEDMC-UHFFFAOYSA-N -1 1 304.226 0.440 20 5 DCBDMM Nc1cc(N[C@@H]2C=C[C@H](CO)C2)cc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001592758807 1167636583 /nfs/dbraw/zinc/63/65/83/1167636583.db2.gz AEZGUQACCSHGKJ-JGVFFNPUSA-N -1 1 317.309 0.706 20 5 DCBDMM Nc1cc(N[C@@H]2C=C[C@H](CO)C2)cc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001592758807 1167636589 /nfs/dbraw/zinc/63/65/89/1167636589.db2.gz AEZGUQACCSHGKJ-JGVFFNPUSA-N -1 1 317.309 0.706 20 5 DCBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC[C@]1(O)CCOC1 ZINC001593465633 1167852830 /nfs/dbraw/zinc/85/28/30/1167852830.db2.gz TZHGVLAAYKJVRL-LBPRGKRZSA-N -1 1 321.297 0.123 20 5 DCBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC[C@]1(O)CCOC1 ZINC001593465633 1167852839 /nfs/dbraw/zinc/85/28/39/1167852839.db2.gz TZHGVLAAYKJVRL-LBPRGKRZSA-N -1 1 321.297 0.123 20 5 DCBDMM C[C@H](O)C[C@H](C)Nc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC001603695115 1169357048 /nfs/dbraw/zinc/35/70/48/1169357048.db2.gz HYGRUAIBBGDDIY-BQBZGAKWSA-N -1 1 307.314 0.928 20 5 DCBDMM C[C@H](O)C[C@H](C)Nc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC001603695115 1169357056 /nfs/dbraw/zinc/35/70/56/1169357056.db2.gz HYGRUAIBBGDDIY-BQBZGAKWSA-N -1 1 307.314 0.928 20 5 DCBDMM CC1(CNc2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])OCCO1 ZINC001603806875 1169396972 /nfs/dbraw/zinc/39/69/72/1169396972.db2.gz KRKYHPYSHGBQKE-UHFFFAOYSA-N -1 1 306.282 0.950 20 5 DCBDMM CC1(CNc2cccc(-c3nn[n-]n3)c2[N+](=O)[O-])OCCO1 ZINC001603806875 1169396982 /nfs/dbraw/zinc/39/69/82/1169396982.db2.gz KRKYHPYSHGBQKE-UHFFFAOYSA-N -1 1 306.282 0.950 20 5 DCBDMM Cc1ncsc1CCn1cc([N+](=O)[O-])c(-c2nn[n-]n2)n1 ZINC001606104271 1170077222 /nfs/dbraw/zinc/07/72/22/1170077222.db2.gz JNZUCRCMJPIZNS-UHFFFAOYSA-N -1 1 306.311 0.979 20 5 DCBDMM NC(=O)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C1 ZINC001606410818 1170189643 /nfs/dbraw/zinc/18/96/43/1170189643.db2.gz NCNZWEXLFFJECN-QMMMGPOBSA-N -1 1 317.309 0.477 20 5 DCBDMM NC(=O)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C1 ZINC001606410818 1170189647 /nfs/dbraw/zinc/18/96/47/1170189647.db2.gz NCNZWEXLFFJECN-QMMMGPOBSA-N -1 1 317.309 0.477 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nnn[n-]2)cc1N1C[C@@H]2COC[C@H](C1)O2 ZINC001607085621 1170384705 /nfs/dbraw/zinc/38/47/05/1170384705.db2.gz HQMFTYQISKOZMX-KNVOCYPGSA-N -1 1 324.322 0.440 20 5 DCBDMM O=[N+]([O-])c1sc(-c2nn[n-]n2)cc1N1C[C@@H]2COC[C@H](C1)O2 ZINC001607085621 1170384709 /nfs/dbraw/zinc/38/47/09/1170384709.db2.gz HQMFTYQISKOZMX-KNVOCYPGSA-N -1 1 324.322 0.440 20 5 DCBDMM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)C(=O)NCCF ZINC001609126750 1170817877 /nfs/dbraw/zinc/81/78/77/1170817877.db2.gz HSUSXPAKQRXLAN-ZETCQYMHSA-N -1 1 323.288 0.661 20 5 DCBDMM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)C(=O)NCCF ZINC001609126750 1170817884 /nfs/dbraw/zinc/81/78/84/1170817884.db2.gz HSUSXPAKQRXLAN-ZETCQYMHSA-N -1 1 323.288 0.661 20 5 DCBDMM C[C@@](O)(CNc1cc(N)c([N+](=O)[O-])c(-c2nnn[n-]2)c1)C1CC1 ZINC001609127603 1170820800 /nfs/dbraw/zinc/82/08/00/1170820800.db2.gz NXVJCDFNGZXMAP-CYBMUJFWSA-N -1 1 319.325 0.930 20 5 DCBDMM C[C@@](O)(CNc1cc(N)c([N+](=O)[O-])c(-c2nn[n-]n2)c1)C1CC1 ZINC001609127603 1170820802 /nfs/dbraw/zinc/82/08/02/1170820802.db2.gz NXVJCDFNGZXMAP-CYBMUJFWSA-N -1 1 319.325 0.930 20 5 DCBDMM Cn1ccc(CNc2cc(N)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)n1 ZINC001609480052 1170994105 /nfs/dbraw/zinc/99/41/05/1170994105.db2.gz HMVMRRIQBXQQCW-UHFFFAOYSA-N -1 1 315.297 0.703 20 5 DCBDMM Cn1ccc(CNc2cc(N)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)n1 ZINC001609480052 1170994107 /nfs/dbraw/zinc/99/41/07/1170994107.db2.gz HMVMRRIQBXQQCW-UHFFFAOYSA-N -1 1 315.297 0.703 20 5 DCBDMM Cc1[nH]nc(C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC001610403980 1171231925 /nfs/dbraw/zinc/23/19/25/1171231925.db2.gz LHMYCNQBIFXFHE-VAOFZXAKSA-N -1 1 308.294 0.952 20 5 DCBDMM O=C([O-])Cc1ccccc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001610797136 1171326936 /nfs/dbraw/zinc/32/69/36/1171326936.db2.gz DFQCNOCNRUVSLN-UHFFFAOYSA-N -1 1 304.262 0.875 20 5 DCBDMM NC(=O)[C@]12CCC[C@H]1CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C2 ZINC001647966923 1173063381 /nfs/dbraw/zinc/06/33/81/1173063381.db2.gz QXMCLLCUNZGRQB-XPTSAGLGSA-N -1 1 320.305 0.423 20 5 DCBDMM CCn1cc(S(=O)(=O)[N-]C2CCC(=O)CC2)c([N+](=O)[O-])n1 ZINC001656713025 1173877198 /nfs/dbraw/zinc/87/71/98/1173877198.db2.gz ZOPLFBCQJKQDAI-UHFFFAOYSA-N -1 1 316.339 0.601 20 5 DCBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H](CO)c1cccnc1 ZINC001665024346 1174475089 /nfs/dbraw/zinc/47/50/89/1174475089.db2.gz HQDLOFVSFUIHQY-SNVBAGLBSA-N -1 1 324.318 0.397 20 5 DCBDMM