smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)C1CCC(Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413134518 295679208 /nfs/dbraw/zinc/67/92/08/295679208.db2.gz LPWGMSSDDHPCPO-UHFFFAOYSA-N 1 2 314.345 2.599 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@H]3CCc4n[nH]cc4C3)c2c1 ZINC000413139759 295680066 /nfs/dbraw/zinc/68/00/66/295680066.db2.gz KRESCDWQCXPDOU-LBPRGKRZSA-N 1 2 309.329 2.836 20 5 DFBDLO CSC[C@@](C)(O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413156826 295681322 /nfs/dbraw/zinc/68/13/22/295681322.db2.gz SMKCMHUCWKXPAL-AWEZNQCLSA-N 1 2 307.375 2.669 20 5 DFBDLO COc1cc[nH+]cc1CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000591943859 398360351 /nfs/dbraw/zinc/36/03/51/398360351.db2.gz ZFMYRHNCKNOXOK-UHFFFAOYSA-N 1 2 314.345 2.884 20 5 DFBDLO Cc1c[nH+]c(CCNc2c(Cl)cncc2[N+](=O)[O-])c(C)c1 ZINC000596297676 398379416 /nfs/dbraw/zinc/37/94/16/398379416.db2.gz FNFISZYCFCFTFP-UHFFFAOYSA-N 1 2 306.753 2.732 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC3(CCCC3)C2)c([N+](=O)[O-])c1 ZINC000278202481 214020216 /nfs/dbraw/zinc/02/02/16/214020216.db2.gz IZQYHHHXKXYIJQ-UHFFFAOYSA-N 1 2 321.333 2.648 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOC3(CCCC3)C2)c([N+](=O)[O-])c1 ZINC000278202481 214020218 /nfs/dbraw/zinc/02/02/18/214020218.db2.gz IZQYHHHXKXYIJQ-UHFFFAOYSA-N 1 2 321.333 2.648 20 5 DFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000083445431 398387123 /nfs/dbraw/zinc/38/71/23/398387123.db2.gz ZLFJUVJTKADLBZ-LLVKDONJSA-N 1 2 301.350 2.654 20 5 DFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000592130871 398388991 /nfs/dbraw/zinc/38/89/91/398388991.db2.gz LKVYPGVAXKQRRL-RYUDHWBXSA-N 1 2 311.332 2.681 20 5 DFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000592130871 398388994 /nfs/dbraw/zinc/38/89/94/398388994.db2.gz LKVYPGVAXKQRRL-RYUDHWBXSA-N 1 2 311.332 2.681 20 5 DFBDLO O=[N+]([O-])c1cnccc1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000066810621 398401121 /nfs/dbraw/zinc/40/11/21/398401121.db2.gz MUGMRTZPCAXCBA-UHFFFAOYSA-N 1 2 313.292 2.927 20 5 DFBDLO C[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@H](C)[C@H]1O ZINC000596470391 398421961 /nfs/dbraw/zinc/42/19/61/398421961.db2.gz UAZQBPRHLFXBCG-HBYGRHMLSA-N 1 2 301.346 2.596 20 5 DFBDLO CCOCCOC1C[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000459459889 299111770 /nfs/dbraw/zinc/11/17/70/299111770.db2.gz KQCCFTKELXGXGC-ZROIWOOFSA-N 1 2 320.389 2.735 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(CN2CCC[C@@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000586763267 398454054 /nfs/dbraw/zinc/45/40/54/398454054.db2.gz NEJNQLOGLXPCTO-LLVKDONJSA-N 1 2 322.315 2.907 20 5 DFBDLO Cc1ccc([C@H](C)[NH2+]Cc2nnc3n2CCCC3)cc1[N+](=O)[O-] ZINC000181834150 199359076 /nfs/dbraw/zinc/35/90/76/199359076.db2.gz YFENWNLMEBQAKY-LBPRGKRZSA-N 1 2 315.377 2.682 20 5 DFBDLO CC(C)([NH2+]Cc1cc2n(n1)CCC2)c1ccccc1[N+](=O)[O-] ZINC000593030840 398525051 /nfs/dbraw/zinc/52/50/51/398525051.db2.gz UPNOOVIAXIXYKY-UHFFFAOYSA-N 1 2 300.362 2.762 20 5 DFBDLO Cn1c[nH+]cc1[C@@H]1CCCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000589127907 398529340 /nfs/dbraw/zinc/52/93/40/398529340.db2.gz QBRCXMCNSQWZKY-NSHDSACASA-N 1 2 320.374 2.757 20 5 DFBDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000593059718 398534923 /nfs/dbraw/zinc/53/49/23/398534923.db2.gz SNIKXLMLPMZDAC-KGLIPLIRSA-N 1 2 308.378 2.993 20 5 DFBDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000593059718 398534926 /nfs/dbraw/zinc/53/49/26/398534926.db2.gz SNIKXLMLPMZDAC-KGLIPLIRSA-N 1 2 308.378 2.993 20 5 DFBDLO CC1(CO)C[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000459620067 299149272 /nfs/dbraw/zinc/14/92/72/299149272.db2.gz KINZYZYEHQDKDP-UHFFFAOYSA-N 1 2 319.386 2.533 20 5 DFBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC2(CCOCC2)O1 ZINC000279782139 215142111 /nfs/dbraw/zinc/14/21/11/215142111.db2.gz NRZAQIKBVSIKPQ-LBPRGKRZSA-N 1 2 324.352 2.504 20 5 DFBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC2(CCOCC2)O1 ZINC000279782139 215142114 /nfs/dbraw/zinc/14/21/14/215142114.db2.gz NRZAQIKBVSIKPQ-LBPRGKRZSA-N 1 2 324.352 2.504 20 5 DFBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3cccc(Cl)c3C2)c1 ZINC000459669193 299160111 /nfs/dbraw/zinc/16/01/11/299160111.db2.gz COBQMMBIHRQQOK-UHFFFAOYSA-N 1 2 306.753 2.503 20 5 DFBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCc3cccc(Cl)c3C2)c1 ZINC000459669193 299160114 /nfs/dbraw/zinc/16/01/14/299160114.db2.gz COBQMMBIHRQQOK-UHFFFAOYSA-N 1 2 306.753 2.503 20 5 DFBDLO C[C@@]1(C(F)F)C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000597253012 398608354 /nfs/dbraw/zinc/60/83/54/398608354.db2.gz WQYMSDDTQVYKCY-VOKGJARPSA-N 1 2 312.316 2.964 20 5 DFBDLO C[C@@]1(C(F)F)C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000597253012 398608359 /nfs/dbraw/zinc/60/83/59/398608359.db2.gz WQYMSDDTQVYKCY-VOKGJARPSA-N 1 2 312.316 2.964 20 5 DFBDLO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1[nH]cc[nH+]1 ZINC000139425284 186022339 /nfs/dbraw/zinc/02/23/39/186022339.db2.gz BVTGPWRFOLVGMV-LLVKDONJSA-N 1 2 308.725 2.852 20 5 DFBDLO Cc1cc(C(=O)Nc2ccc[nH+]c2N(C)C)cc([N+](=O)[O-])c1 ZINC000147865438 186041946 /nfs/dbraw/zinc/04/19/46/186041946.db2.gz KVLMOLKEKAUKBO-UHFFFAOYSA-N 1 2 300.318 2.617 20 5 DFBDLO Cc1cc(N(C)[C@@H](C)CCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000593518165 398650933 /nfs/dbraw/zinc/65/09/33/398650933.db2.gz IDDUVOHBVLLMIC-LBPRGKRZSA-N 1 2 316.361 2.567 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594019871 398722975 /nfs/dbraw/zinc/72/29/75/398722975.db2.gz BEGOORCTLRCZOF-HNNXBMFYSA-N 1 2 306.362 2.834 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594019871 398722977 /nfs/dbraw/zinc/72/29/77/398722977.db2.gz BEGOORCTLRCZOF-HNNXBMFYSA-N 1 2 306.362 2.834 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC(CCO)CC3)c2c1 ZINC000591146474 398731713 /nfs/dbraw/zinc/73/17/13/398731713.db2.gz APNUWPNCKCSUKK-UHFFFAOYSA-N 1 2 301.346 2.742 20 5 DFBDLO CC1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC=CC1 ZINC000594070289 398736886 /nfs/dbraw/zinc/73/68/86/398736886.db2.gz CDJCTNFCCIRNCW-UHFFFAOYSA-N 1 2 312.329 2.619 20 5 DFBDLO Cc1cc(N[C@H](C)CCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000077226154 191676886 /nfs/dbraw/zinc/67/68/86/191676886.db2.gz PNTAKGHGFDJENA-SNVBAGLBSA-N 1 2 302.334 2.543 20 5 DFBDLO CCc1cc(N[C@H](C)CCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000077988152 191804602 /nfs/dbraw/zinc/80/46/02/191804602.db2.gz HLUDLVRDBKGYBD-LLVKDONJSA-N 1 2 316.361 2.797 20 5 DFBDLO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000591631404 398777599 /nfs/dbraw/zinc/77/75/99/398777599.db2.gz OYQOVBXSYXSCDX-RISCZKNCSA-N 1 2 302.334 2.593 20 5 DFBDLO Cc1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000075557058 398810332 /nfs/dbraw/zinc/81/03/32/398810332.db2.gz RWKVNAADCBDSIQ-CYBMUJFWSA-N 1 2 314.345 2.646 20 5 DFBDLO COc1cccc([N+](=O)[O-])c1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000594568774 398822965 /nfs/dbraw/zinc/82/29/65/398822965.db2.gz WWQCFTXMYDIXEM-LBPRGKRZSA-N 1 2 314.345 2.689 20 5 DFBDLO COc1cccc([N+](=O)[O-])c1NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592815 398826474 /nfs/dbraw/zinc/82/64/74/398826474.db2.gz YKXPGUIRDXBFTH-RWMBFGLXSA-N 1 2 323.393 2.513 20 5 DFBDLO COc1cccc([N+](=O)[O-])c1NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592815 398826477 /nfs/dbraw/zinc/82/64/77/398826477.db2.gz YKXPGUIRDXBFTH-RWMBFGLXSA-N 1 2 323.393 2.513 20 5 DFBDLO CC1CC(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000598642339 398846296 /nfs/dbraw/zinc/84/62/96/398846296.db2.gz GOYGHLCTQUOROP-UHFFFAOYSA-N 1 2 319.405 2.885 20 5 DFBDLO CC(C)[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000276664009 213032150 /nfs/dbraw/zinc/03/21/50/213032150.db2.gz UDYYVXGLQOCSPD-HNNXBMFYSA-N 1 2 316.361 2.764 20 5 DFBDLO Cc1cccn2cc(CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)[nH+]c12 ZINC000076711139 398866602 /nfs/dbraw/zinc/86/66/02/398866602.db2.gz RHNLFWYKTQCHOZ-UHFFFAOYSA-N 1 2 324.340 2.756 20 5 DFBDLO CCN(CC)c1ccc(CNc2ccc([N+](=O)[O-])nc2)c[nH+]1 ZINC000076799584 398870093 /nfs/dbraw/zinc/87/00/93/398870093.db2.gz WRAFOHBPHDGNGA-UHFFFAOYSA-N 1 2 301.350 2.843 20 5 DFBDLO COc1ccc(C[NH2+]Cc2nccn2C(C)C)cc1[N+](=O)[O-] ZINC000594917023 398870578 /nfs/dbraw/zinc/87/05/78/398870578.db2.gz FVZRTBJONXWYJW-UHFFFAOYSA-N 1 2 304.350 2.671 20 5 DFBDLO CC1CC(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000598787072 398873572 /nfs/dbraw/zinc/87/35/72/398873572.db2.gz WCVUXLJWHFMQRZ-UHFFFAOYSA-N 1 2 314.345 2.556 20 5 DFBDLO CC(C)CCNC(=O)[C@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153338417 283363742 /nfs/dbraw/zinc/36/37/42/283363742.db2.gz UJDFINQTHOUAJB-ZDUSSCGKSA-N 1 2 319.405 2.504 20 5 DFBDLO CC(C)CCNC(=O)[C@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153338417 283363743 /nfs/dbraw/zinc/36/37/43/283363743.db2.gz UJDFINQTHOUAJB-ZDUSSCGKSA-N 1 2 319.405 2.504 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](CCO)c1ccco1 ZINC000595031715 398894695 /nfs/dbraw/zinc/89/46/95/398894695.db2.gz BWNIXHQUXIGLGA-RISCZKNCSA-N 1 2 320.345 2.971 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1nnc(C(C)C)[nH]1 ZINC000595042531 398896790 /nfs/dbraw/zinc/89/67/90/398896790.db2.gz SKRJHWJKALYFSU-JTQLQIEISA-N 1 2 319.365 2.696 20 5 DFBDLO Cc1cn2c([nH+]1)C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)CC2 ZINC000598958725 398897962 /nfs/dbraw/zinc/89/79/62/398897962.db2.gz WDZWYSGFWUEVQO-GFCCVEGCSA-N 1 2 314.345 2.609 20 5 DFBDLO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)n3ncnc32)cc1[N+](=O)[O-] ZINC000595067164 398901364 /nfs/dbraw/zinc/90/13/64/398901364.db2.gz KCGUSLFFTCZQTG-MDZLAQPJSA-N 1 2 301.350 2.851 20 5 DFBDLO O=C(CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])N1CCCCC1 ZINC000599020317 398908755 /nfs/dbraw/zinc/90/87/55/398908755.db2.gz TZSCCQWXOXGHMB-UHFFFAOYSA-N 1 2 314.345 2.567 20 5 DFBDLO COC(=O)[C@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599038483 398910929 /nfs/dbraw/zinc/91/09/29/398910929.db2.gz RMWYVCAYXPJFFK-LBPRGKRZSA-N 1 2 315.329 2.532 20 5 DFBDLO C[C@H](CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])[S@@](C)=O ZINC000599053924 398913813 /nfs/dbraw/zinc/91/38/13/398913813.db2.gz AWYZONOTWKIBBR-LADRHHBVSA-N 1 2 307.375 2.712 20 5 DFBDLO CSC[C@](C)(O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599046071 398912749 /nfs/dbraw/zinc/91/27/49/398912749.db2.gz GWOOHFYBBWPNQC-CQSZACIVSA-N 1 2 307.375 2.669 20 5 DFBDLO CCOC(=O)CCN(C)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599058440 398914443 /nfs/dbraw/zinc/91/44/43/398914443.db2.gz UYHITMZNRILORN-UHFFFAOYSA-N 1 2 303.318 2.532 20 5 DFBDLO CCO[C@@H]1C[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])[C@H]1OC ZINC000599065885 398915794 /nfs/dbraw/zinc/91/57/94/398915794.db2.gz LRSKILAEIKITDL-IIAWOOMASA-N 1 2 317.345 2.747 20 5 DFBDLO COc1ccc(C[N@H+](C)Cc2onc(C)c2[N+](=O)[O-])cc1OC ZINC000595291262 398917053 /nfs/dbraw/zinc/91/70/53/398917053.db2.gz IVOYCNNCUNNGJL-UHFFFAOYSA-N 1 2 321.333 2.540 20 5 DFBDLO COc1ccc(C[N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])cc1OC ZINC000595291262 398917055 /nfs/dbraw/zinc/91/70/55/398917055.db2.gz IVOYCNNCUNNGJL-UHFFFAOYSA-N 1 2 321.333 2.540 20 5 DFBDLO Cc1noc(C[N@H+](C)CCCOc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000595289396 398916700 /nfs/dbraw/zinc/91/67/00/398916700.db2.gz DHSPYXFSTPLMGB-UHFFFAOYSA-N 1 2 323.324 2.931 20 5 DFBDLO Cc1noc(C[N@@H+](C)CCCOc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000595289396 398916702 /nfs/dbraw/zinc/91/67/02/398916702.db2.gz DHSPYXFSTPLMGB-UHFFFAOYSA-N 1 2 323.324 2.931 20 5 DFBDLO Cc1noc(C[NH+]2CCC(c3nccs3)CC2)c1[N+](=O)[O-] ZINC000595301271 398919761 /nfs/dbraw/zinc/91/97/61/398919761.db2.gz FEXDRXIFUAQROL-UHFFFAOYSA-N 1 2 308.363 2.727 20 5 DFBDLO CCc1nn(C)c(N2CC[C@@H](c3cc(C)cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000599100230 398921419 /nfs/dbraw/zinc/92/14/19/398921419.db2.gz KSBVOQWQWWPKIV-GFCCVEGCSA-N 1 2 315.377 2.588 20 5 DFBDLO COC[C@H]1C[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000188350305 200232235 /nfs/dbraw/zinc/23/22/35/200232235.db2.gz NKJDARWINAWZHZ-DZGCQCFKSA-N 1 2 322.405 2.954 20 5 DFBDLO COC[C@H]1C[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000188350305 200232236 /nfs/dbraw/zinc/23/22/36/200232236.db2.gz NKJDARWINAWZHZ-DZGCQCFKSA-N 1 2 322.405 2.954 20 5 DFBDLO COc1ccc(C[N@H+](C)Cc2onc(C)c2[N+](=O)[O-])cc1C ZINC000595307228 398920414 /nfs/dbraw/zinc/92/04/14/398920414.db2.gz KAJNUOUXEMBJHM-UHFFFAOYSA-N 1 2 305.334 2.840 20 5 DFBDLO COc1ccc(C[N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])cc1C ZINC000595307228 398920416 /nfs/dbraw/zinc/92/04/16/398920416.db2.gz KAJNUOUXEMBJHM-UHFFFAOYSA-N 1 2 305.334 2.840 20 5 DFBDLO Cc1[nH]c2ccc(NC(=O)c3cc([N+](=O)[O-])cnc3C)cc2[nH+]1 ZINC000055229791 398924921 /nfs/dbraw/zinc/92/49/21/398924921.db2.gz FAVCQYQMTMMNMT-UHFFFAOYSA-N 1 2 311.301 2.735 20 5 DFBDLO Cc1[nH]c2cc(NC(=O)c3cc([N+](=O)[O-])cnc3C)ccc2[nH+]1 ZINC000055229791 398924925 /nfs/dbraw/zinc/92/49/25/398924925.db2.gz FAVCQYQMTMMNMT-UHFFFAOYSA-N 1 2 311.301 2.735 20 5 DFBDLO Cc1noc(C[N@@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)c1[N+](=O)[O-] ZINC000595381125 398929859 /nfs/dbraw/zinc/92/98/59/398929859.db2.gz JKOFHHIOVFEHHP-SMDDNHRTSA-N 1 2 317.345 2.715 20 5 DFBDLO Cc1noc(C[N@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)c1[N+](=O)[O-] ZINC000595381125 398929861 /nfs/dbraw/zinc/92/98/61/398929861.db2.gz JKOFHHIOVFEHHP-SMDDNHRTSA-N 1 2 317.345 2.715 20 5 DFBDLO CCCN1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000189370731 200389100 /nfs/dbraw/zinc/38/91/00/200389100.db2.gz LSVYMRUZNXNOFA-CYBMUJFWSA-N 1 2 305.378 2.600 20 5 DFBDLO CCCN1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000189370731 200389102 /nfs/dbraw/zinc/38/91/02/200389102.db2.gz LSVYMRUZNXNOFA-CYBMUJFWSA-N 1 2 305.378 2.600 20 5 DFBDLO Cc1noc(C[N@@H+]2CC3(CCCC3)OC(C)(C)C2)c1[N+](=O)[O-] ZINC000595459386 398942878 /nfs/dbraw/zinc/94/28/78/398942878.db2.gz OEPRCBUJMAMNAV-UHFFFAOYSA-N 1 2 309.366 2.815 20 5 DFBDLO Cc1noc(C[N@H+]2CC3(CCCC3)OC(C)(C)C2)c1[N+](=O)[O-] ZINC000595459386 398942881 /nfs/dbraw/zinc/94/28/81/398942881.db2.gz OEPRCBUJMAMNAV-UHFFFAOYSA-N 1 2 309.366 2.815 20 5 DFBDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595455952 398942275 /nfs/dbraw/zinc/94/22/75/398942275.db2.gz QBRONCRHGYAVDC-YVLXSGLVSA-N 1 2 322.336 2.507 20 5 DFBDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595455952 398942277 /nfs/dbraw/zinc/94/22/77/398942277.db2.gz QBRONCRHGYAVDC-YVLXSGLVSA-N 1 2 322.336 2.507 20 5 DFBDLO Cc1noc(C[NH+]2CCC(F)(c3ccccn3)CC2)c1[N+](=O)[O-] ZINC000595478398 398947016 /nfs/dbraw/zinc/94/70/16/398947016.db2.gz VPWVZYZZUCBYAQ-UHFFFAOYSA-N 1 2 320.324 2.747 20 5 DFBDLO C[C@@H]([NH2+]C[C@H]1CC2(CCC2)C(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000192152462 200829100 /nfs/dbraw/zinc/82/91/00/200829100.db2.gz NAYSRLFPLBNKDV-BXUZGUMPSA-N 1 2 304.346 2.731 20 5 DFBDLO CCn1cncc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000417735812 296045367 /nfs/dbraw/zinc/04/53/67/296045367.db2.gz WKLONAGFPHKJSZ-UHFFFAOYSA-N 1 2 300.362 2.976 20 5 DFBDLO CCn1cncc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000417735812 296045369 /nfs/dbraw/zinc/04/53/69/296045369.db2.gz WKLONAGFPHKJSZ-UHFFFAOYSA-N 1 2 300.362 2.976 20 5 DFBDLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000600181318 398992415 /nfs/dbraw/zinc/99/24/15/398992415.db2.gz OIEXGJLCMKNGGU-UHFFFAOYSA-N 1 2 316.361 2.732 20 5 DFBDLO CCC[C@@H]([NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000475103636 299343512 /nfs/dbraw/zinc/34/35/12/299343512.db2.gz YSSHKUKKCRRXAI-HMVFGEFZSA-N 1 2 306.362 2.929 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCc3c(O)cccc3C2)c(F)c1 ZINC000599645912 399041976 /nfs/dbraw/zinc/04/19/76/399041976.db2.gz HRWDVFZYLGDALP-UHFFFAOYSA-N 1 2 302.305 2.998 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCc3c(O)cccc3C2)c(F)c1 ZINC000599645912 399041981 /nfs/dbraw/zinc/04/19/81/399041981.db2.gz HRWDVFZYLGDALP-UHFFFAOYSA-N 1 2 302.305 2.998 20 5 DFBDLO COc1ccc(C[N@@H+]2CCc3c(O)cccc3C2)cc1[N+](=O)[O-] ZINC000599645790 399041533 /nfs/dbraw/zinc/04/15/33/399041533.db2.gz FBFFZAGRCLCXQG-UHFFFAOYSA-N 1 2 314.341 2.867 20 5 DFBDLO COc1ccc(C[N@H+]2CCc3c(O)cccc3C2)cc1[N+](=O)[O-] ZINC000599645790 399041537 /nfs/dbraw/zinc/04/15/37/399041537.db2.gz FBFFZAGRCLCXQG-UHFFFAOYSA-N 1 2 314.341 2.867 20 5 DFBDLO Cc1cc(NCc2cnn(C)c2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000057828134 399064179 /nfs/dbraw/zinc/06/41/79/399064179.db2.gz LKQWEPUCHCYQAF-UHFFFAOYSA-N 1 2 324.344 2.706 20 5 DFBDLO Cc1cc(NC[C@H]2CCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000057824817 399064374 /nfs/dbraw/zinc/06/43/74/399064374.db2.gz XGVACWBFCQCIFX-CQSZACIVSA-N 1 2 314.345 2.951 20 5 DFBDLO CN(Cc1[nH+]ccn1CC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000057839785 399066540 /nfs/dbraw/zinc/06/65/40/399066540.db2.gz OHOPCXMCQUVWPS-UHFFFAOYSA-N 1 2 314.267 2.990 20 5 DFBDLO Cc1noc(C)c1[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618302204 399080262 /nfs/dbraw/zinc/08/02/62/399080262.db2.gz AQGHFMAAIQQUOI-QMMMGPOBSA-N 1 2 315.333 2.927 20 5 DFBDLO O=C1CCCC12CC[NH+](Cc1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000595815035 399096198 /nfs/dbraw/zinc/09/61/98/399096198.db2.gz CUSMNEPPNGGVSB-UHFFFAOYSA-N 1 2 304.346 2.636 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595831448 399104288 /nfs/dbraw/zinc/10/42/88/399104288.db2.gz OKRNRDLIUHFBNR-MRXNPFEDSA-N 1 2 314.341 2.954 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595831448 399104292 /nfs/dbraw/zinc/10/42/92/399104292.db2.gz OKRNRDLIUHFBNR-MRXNPFEDSA-N 1 2 314.341 2.954 20 5 DFBDLO COc1cccc(N2CCC[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000613877467 399106838 /nfs/dbraw/zinc/10/68/38/399106838.db2.gz GEMVVQSMQQVFHB-LBPRGKRZSA-N 1 2 302.334 2.641 20 5 DFBDLO Cc1c(C[N@@H+]2CCO[C@@](C)(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000595918189 399136447 /nfs/dbraw/zinc/13/64/47/399136447.db2.gz VAZNXSHCOYSSAO-CQSZACIVSA-N 1 2 300.305 2.759 20 5 DFBDLO Cc1c(C[N@H+]2CCO[C@@](C)(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000595918189 399136451 /nfs/dbraw/zinc/13/64/51/399136451.db2.gz VAZNXSHCOYSSAO-CQSZACIVSA-N 1 2 300.305 2.759 20 5 DFBDLO CCC[C@H](O)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000264786812 204153558 /nfs/dbraw/zinc/15/35/58/204153558.db2.gz JQZNLZGBABGVIC-AWEZNQCLSA-N 1 2 316.361 2.933 20 5 DFBDLO Cc1cc(N2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])s1 ZINC000596055657 399156479 /nfs/dbraw/zinc/15/64/79/399156479.db2.gz JXUFYARQBJWMER-UHFFFAOYSA-N 1 2 304.375 2.686 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000277945563 213872923 /nfs/dbraw/zinc/87/29/23/213872923.db2.gz GXARODGCIIAMLM-GFCCVEGCSA-N 1 2 314.345 2.646 20 5 DFBDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H](C)O2 ZINC000282540235 217072721 /nfs/dbraw/zinc/07/27/21/217072721.db2.gz RKMWTOOGIYGZCC-WQGACYEGSA-N 1 2 324.352 2.502 20 5 DFBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H](C)O2 ZINC000282540235 217072724 /nfs/dbraw/zinc/07/27/24/217072724.db2.gz RKMWTOOGIYGZCC-WQGACYEGSA-N 1 2 324.352 2.502 20 5 DFBDLO CC(C)C[C@H]1C[C@H]([NH+]=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCO1 ZINC000618585878 399171017 /nfs/dbraw/zinc/17/10/17/399171017.db2.gz PTYHEINLLSLIQA-YPMHNXCESA-N 1 2 318.377 2.899 20 5 DFBDLO COc1cc(NCc2ccc(N(C)C)[nH+]c2)ccc1[N+](=O)[O-] ZINC000266166138 205152649 /nfs/dbraw/zinc/15/26/49/205152649.db2.gz YEXKBMKTUYOSLL-UHFFFAOYSA-N 1 2 302.334 2.677 20 5 DFBDLO CCc1c[nH+]ccc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000266298868 205247046 /nfs/dbraw/zinc/24/70/46/205247046.db2.gz KKKAEAGIAGWZCF-UHFFFAOYSA-N 1 2 314.345 2.627 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c(F)c1 ZINC000267008275 205742885 /nfs/dbraw/zinc/74/28/85/205742885.db2.gz GPGWAWCQJFZHFD-VXGBXAGGSA-N 1 2 322.258 2.622 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c(F)c1 ZINC000267008275 205742890 /nfs/dbraw/zinc/74/28/90/205742890.db2.gz GPGWAWCQJFZHFD-VXGBXAGGSA-N 1 2 322.258 2.622 20 5 DFBDLO COc1c(C)c[nH+]c(CN(C)c2ncc(F)cc2[N+](=O)[O-])c1C ZINC000601108311 399229782 /nfs/dbraw/zinc/22/97/82/399229782.db2.gz HSTTYWXAQMMBBK-UHFFFAOYSA-N 1 2 320.324 2.786 20 5 DFBDLO CC[C@H]1C[NH+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@H](CC)O1 ZINC000420954799 296217274 /nfs/dbraw/zinc/21/72/74/296217274.db2.gz VHLGBKVBVKPDBE-GJZGRUSLSA-N 1 2 308.378 2.993 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000267950631 206356995 /nfs/dbraw/zinc/35/69/95/206356995.db2.gz JFJAGRMZUPLRIG-NSHDSACASA-N 1 2 317.349 2.618 20 5 DFBDLO O=[N+]([O-])c1cc(Br)ccc1NCCn1cc[nH+]c1 ZINC000041063219 183160796 /nfs/dbraw/zinc/16/07/96/183160796.db2.gz VLZQZCBPEGMQRT-UHFFFAOYSA-N 1 2 311.139 2.666 20 5 DFBDLO O=[N+]([O-])c1sccc1N1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000609132630 399304942 /nfs/dbraw/zinc/30/49/42/399304942.db2.gz UWBHDYFFYZORFP-NSHDSACASA-N 1 2 304.375 2.990 20 5 DFBDLO CC(C)CCN(C)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000619151968 399302823 /nfs/dbraw/zinc/30/28/23/399302823.db2.gz NNMSWHKNXBVAPM-UHFFFAOYSA-N 1 2 321.421 2.909 20 5 DFBDLO Cc1sc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000609131425 399304533 /nfs/dbraw/zinc/30/45/33/399304533.db2.gz PNHWRPBALOHTDE-NSHDSACASA-N 1 2 320.374 2.639 20 5 DFBDLO C[C@](CO)([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000609537192 399321928 /nfs/dbraw/zinc/32/19/28/399321928.db2.gz ZXKYJAQVYSMFFH-MRXNPFEDSA-N 1 2 304.321 2.731 20 5 DFBDLO CCn1c[nH+]cc1[C@H]1CCCCN1c1ccc([N+](=O)[O-])nc1 ZINC000609797004 399332157 /nfs/dbraw/zinc/33/21/57/399332157.db2.gz JNQNZEGGXLKLFO-CYBMUJFWSA-N 1 2 301.350 2.938 20 5 DFBDLO CC(C)[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000284534353 218068365 /nfs/dbraw/zinc/06/83/65/218068365.db2.gz ANHAYJKZHATOAD-MRVPVSSYSA-N 1 2 306.351 2.836 20 5 DFBDLO COc1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000051997179 425883888 /nfs/dbraw/zinc/88/38/88/425883888.db2.gz UQYVIJHCFGNWMX-XJKSGUPXSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000051997179 425883889 /nfs/dbraw/zinc/88/38/89/425883889.db2.gz UQYVIJHCFGNWMX-XJKSGUPXSA-N 1 2 306.362 2.747 20 5 DFBDLO Cn1cc[nH+]c1[C@H](Nc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000284699222 218139201 /nfs/dbraw/zinc/13/92/01/218139201.db2.gz ZSWLCHHPWBEUAO-OAHLLOKOSA-N 1 2 316.361 2.908 20 5 DFBDLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccc([N+](=O)[O-])cc1F ZINC000619566753 399362756 /nfs/dbraw/zinc/36/27/56/399362756.db2.gz GEAPOWFONBXJAB-UHFFFAOYSA-N 1 2 300.249 2.634 20 5 DFBDLO O=C(Nc1ccn2cc[nH+]c2c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000619566807 399362866 /nfs/dbraw/zinc/36/28/66/399362866.db2.gz QLTNWMHGADLQCP-UHFFFAOYSA-N 1 2 321.296 2.976 20 5 DFBDLO Cc1cccn2cc(CCNC(=O)c3ccccc3[N+](=O)[O-])[nH+]c12 ZINC000610434833 399367964 /nfs/dbraw/zinc/36/79/64/399367964.db2.gz NICPBJUGNXSANR-UHFFFAOYSA-N 1 2 324.340 2.523 20 5 DFBDLO O=[N+]([O-])c1ccc(N2CCn3cc[nH+]c3C2)cc1C(F)(F)F ZINC000610468562 399370157 /nfs/dbraw/zinc/37/01/57/399370157.db2.gz SUXUKGFUZHHRBQ-UHFFFAOYSA-N 1 2 312.251 2.830 20 5 DFBDLO CCOc1cccc(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000273808266 211076547 /nfs/dbraw/zinc/07/65/47/211076547.db2.gz AIIAROGENGMATQ-STQMWFEESA-N 1 2 323.393 2.515 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@H](C(F)F)CC2)c(F)c1 ZINC000601974918 399372454 /nfs/dbraw/zinc/37/24/54/399372454.db2.gz XIPJWPRFCFTUCE-LBPRGKRZSA-N 1 2 304.268 2.590 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@H](C(F)F)CC2)c(F)c1 ZINC000601974918 399372457 /nfs/dbraw/zinc/37/24/57/399372457.db2.gz XIPJWPRFCFTUCE-LBPRGKRZSA-N 1 2 304.268 2.590 20 5 DFBDLO CCn1c[nH+]cc1[C@@H]1CCCCN1c1ncc([N+](=O)[O-])s1 ZINC000619695341 399378585 /nfs/dbraw/zinc/37/85/85/399378585.db2.gz QKBYDEXDSWZQQN-JTQLQIEISA-N 1 2 307.379 2.999 20 5 DFBDLO O=C(c1csc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000195142109 296297792 /nfs/dbraw/zinc/29/77/92/296297792.db2.gz XOLXAWCTAJJQMH-SNVBAGLBSA-N 1 2 306.347 2.747 20 5 DFBDLO CO[C@@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC[C@H]1C ZINC000285352746 218393640 /nfs/dbraw/zinc/39/36/40/218393640.db2.gz QCZRWTHTIMKFFJ-YMTOWFKASA-N 1 2 300.305 2.730 20 5 DFBDLO CO[C@@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC[C@H]1C ZINC000285352746 218393643 /nfs/dbraw/zinc/39/36/43/218393643.db2.gz QCZRWTHTIMKFFJ-YMTOWFKASA-N 1 2 300.305 2.730 20 5 DFBDLO CC(C)C[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC000602083464 399392632 /nfs/dbraw/zinc/39/26/32/399392632.db2.gz AMGOTNUEMJSHEU-OAHLLOKOSA-N 1 2 316.361 2.695 20 5 DFBDLO O=C(CCCn1cc[nH+]c1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000611094077 399433623 /nfs/dbraw/zinc/43/36/23/399433623.db2.gz BJUZHIGWKXSZRB-UHFFFAOYSA-N 1 2 314.345 2.551 20 5 DFBDLO CC(C)C1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000611079313 399432735 /nfs/dbraw/zinc/43/27/35/399432735.db2.gz OGNGLMVTOKHNPZ-UHFFFAOYSA-N 1 2 314.345 2.509 20 5 DFBDLO COc1ccc(C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C2CC2)cc1 ZINC000602435599 399443431 /nfs/dbraw/zinc/44/34/31/399443431.db2.gz IBSGKOZKWXPXOI-UHFFFAOYSA-N 1 2 316.361 2.502 20 5 DFBDLO COc1ccc(C[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C2CC2)cc1 ZINC000602435599 399443433 /nfs/dbraw/zinc/44/34/33/399443433.db2.gz IBSGKOZKWXPXOI-UHFFFAOYSA-N 1 2 316.361 2.502 20 5 DFBDLO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-])CCC2 ZINC000602470654 399453264 /nfs/dbraw/zinc/45/32/64/399453264.db2.gz BIABOXPNNPCTPA-LBPRGKRZSA-N 1 2 321.406 2.603 20 5 DFBDLO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1cn(C)nc1[N+](=O)[O-])CCC2 ZINC000602470654 399453268 /nfs/dbraw/zinc/45/32/68/399453268.db2.gz BIABOXPNNPCTPA-LBPRGKRZSA-N 1 2 321.406 2.603 20 5 DFBDLO C[N@H+](Cc1ccoc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611264377 399453417 /nfs/dbraw/zinc/45/34/17/399453417.db2.gz BJCZAJAIDBOCQB-UHFFFAOYSA-N 1 2 304.302 2.591 20 5 DFBDLO C[N@@H+](Cc1ccoc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611264377 399453420 /nfs/dbraw/zinc/45/34/20/399453420.db2.gz BJCZAJAIDBOCQB-UHFFFAOYSA-N 1 2 304.302 2.591 20 5 DFBDLO CCOCC[N@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602590450 399485323 /nfs/dbraw/zinc/48/53/23/399485323.db2.gz HZYGNAJCDBOXIZ-UHFFFAOYSA-N 1 2 323.212 2.887 20 5 DFBDLO CCOCC[N@@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602590450 399485324 /nfs/dbraw/zinc/48/53/24/399485324.db2.gz HZYGNAJCDBOXIZ-UHFFFAOYSA-N 1 2 323.212 2.887 20 5 DFBDLO Cn1cc(C[N@@H+]2CCc3cc(Cl)ccc3C2)c([N+](=O)[O-])n1 ZINC000602632017 399497163 /nfs/dbraw/zinc/49/71/63/399497163.db2.gz IAMSFKJWHOGAMM-UHFFFAOYSA-N 1 2 306.753 2.540 20 5 DFBDLO Cn1cc(C[N@H+]2CCc3cc(Cl)ccc3C2)c([N+](=O)[O-])n1 ZINC000602632017 399497166 /nfs/dbraw/zinc/49/71/66/399497166.db2.gz IAMSFKJWHOGAMM-UHFFFAOYSA-N 1 2 306.753 2.540 20 5 DFBDLO COc1ccnc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1OC ZINC000296771522 533055634 /nfs/dbraw/zinc/05/56/34/533055634.db2.gz RKSAHGGNTYSKRE-NSHDSACASA-N 1 2 317.345 2.858 20 5 DFBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCOC4(CCCC4)C3)nc2c1 ZINC000158028295 197237187 /nfs/dbraw/zinc/23/71/87/197237187.db2.gz GHKYRMJNMCXHBT-UHFFFAOYSA-N 1 2 317.345 2.881 20 5 DFBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCOC4(CCCC4)C3)nc2c1 ZINC000158028295 197237189 /nfs/dbraw/zinc/23/71/89/197237189.db2.gz GHKYRMJNMCXHBT-UHFFFAOYSA-N 1 2 317.345 2.881 20 5 DFBDLO CC[C@@](C)([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1nc(C)cs1 ZINC000602793880 399576897 /nfs/dbraw/zinc/57/68/97/399576897.db2.gz TVQPTOPGAIEBIL-CYBMUJFWSA-N 1 2 309.395 2.508 20 5 DFBDLO CC[C@H](c1ccccc1OC)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602828270 399591087 /nfs/dbraw/zinc/59/10/87/399591087.db2.gz FADBBFIYJYIDTA-CQSZACIVSA-N 1 2 318.377 2.920 20 5 DFBDLO CC[C@H](c1ccccc1OC)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602828270 399591093 /nfs/dbraw/zinc/59/10/93/399591093.db2.gz FADBBFIYJYIDTA-CQSZACIVSA-N 1 2 318.377 2.920 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000156030561 197081825 /nfs/dbraw/zinc/08/18/25/197081825.db2.gz LIRXVHSNULZAQT-UHFFFAOYSA-N 1 2 317.349 2.654 20 5 DFBDLO Cc1ccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1[N+](=O)[O-] ZINC000120354286 195149481 /nfs/dbraw/zinc/14/94/81/195149481.db2.gz KFMMXZNYBOGTJD-UHFFFAOYSA-N 1 2 314.345 2.577 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000289735482 221189628 /nfs/dbraw/zinc/18/96/28/221189628.db2.gz KHFGMYONMBQGIB-JKSUJKDBSA-N 1 2 320.389 2.993 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000289735482 221189630 /nfs/dbraw/zinc/18/96/30/221189630.db2.gz KHFGMYONMBQGIB-JKSUJKDBSA-N 1 2 320.389 2.993 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)cs1 ZINC000289825697 221249950 /nfs/dbraw/zinc/24/99/50/221249950.db2.gz JLUQHMQBEOTTCE-NSHDSACASA-N 1 2 312.782 2.953 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)cs1 ZINC000289825697 221249952 /nfs/dbraw/zinc/24/99/52/221249952.db2.gz JLUQHMQBEOTTCE-NSHDSACASA-N 1 2 312.782 2.953 20 5 DFBDLO CC[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H](C)[S@@]1=O ZINC000289966206 221348416 /nfs/dbraw/zinc/34/84/16/221348416.db2.gz ZGMOLQRICSNZFR-JEUOHCMXSA-N 1 2 322.430 2.839 20 5 DFBDLO CC[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H](C)[S@@]1=O ZINC000289966206 221348418 /nfs/dbraw/zinc/34/84/18/221348418.db2.gz ZGMOLQRICSNZFR-JEUOHCMXSA-N 1 2 322.430 2.839 20 5 DFBDLO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000612461097 399658153 /nfs/dbraw/zinc/65/81/53/399658153.db2.gz FVBCKRUPUSFUJV-SECBINFHSA-N 1 2 315.333 2.629 20 5 DFBDLO O=[N+]([O-])c1ccc([C@H]2CCCN(c3cc(CO)cc[nH+]3)C2)cc1 ZINC000603384934 399760243 /nfs/dbraw/zinc/76/02/43/399760243.db2.gz DFGURLXYZNUZEM-HNNXBMFYSA-N 1 2 313.357 2.866 20 5 DFBDLO CCC(CC)C(=O)N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000603555077 399789443 /nfs/dbraw/zinc/78/94/43/399789443.db2.gz XYPYMCUZJAAZCG-UHFFFAOYSA-N 1 2 319.405 2.675 20 5 DFBDLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000348417423 285535780 /nfs/dbraw/zinc/53/57/80/285535780.db2.gz UGAPLTYVZZOHMX-WDEREUQCSA-N 1 2 318.333 2.569 20 5 DFBDLO Cc1cnc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000348417421 285535830 /nfs/dbraw/zinc/53/58/30/285535830.db2.gz UGAPLTYVZZOHMX-QWRGUYRKSA-N 1 2 318.333 2.569 20 5 DFBDLO CC[C@@H]1C[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCS1 ZINC000173931955 145361886 /nfs/dbraw/zinc/36/18/86/145361886.db2.gz TYRDEEWRZUHQLZ-CYBMUJFWSA-N 1 2 323.418 2.669 20 5 DFBDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCS1 ZINC000173931955 145361888 /nfs/dbraw/zinc/36/18/88/145361888.db2.gz TYRDEEWRZUHQLZ-CYBMUJFWSA-N 1 2 323.418 2.669 20 5 DFBDLO Cn1cc([C@@H]2CCC[N@@H+]2Cc2c(F)cccc2[N+](=O)[O-])cn1 ZINC000350700270 286075190 /nfs/dbraw/zinc/07/51/90/286075190.db2.gz MGFHSNYLUMRANM-AWEZNQCLSA-N 1 2 304.325 2.805 20 5 DFBDLO Cn1cc([C@@H]2CCC[N@H+]2Cc2c(F)cccc2[N+](=O)[O-])cn1 ZINC000350700270 286075191 /nfs/dbraw/zinc/07/51/91/286075191.db2.gz MGFHSNYLUMRANM-AWEZNQCLSA-N 1 2 304.325 2.805 20 5 DFBDLO C[C@H](c1c(F)cccc1F)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000350731870 286079347 /nfs/dbraw/zinc/07/93/47/286079347.db2.gz GYZPEXYGRBMEKU-SNVBAGLBSA-N 1 2 310.304 2.763 20 5 DFBDLO C[C@H](c1c(F)cccc1F)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000350731870 286079349 /nfs/dbraw/zinc/07/93/49/286079349.db2.gz GYZPEXYGRBMEKU-SNVBAGLBSA-N 1 2 310.304 2.763 20 5 DFBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000361210858 149054996 /nfs/dbraw/zinc/05/49/96/149054996.db2.gz MQDCAVABXOKMPV-CYBMUJFWSA-N 1 2 316.361 2.545 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000361525004 149140028 /nfs/dbraw/zinc/14/00/28/149140028.db2.gz MJWJCBOMTQMTNU-MLGOLLRUSA-N 1 2 324.352 2.504 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000361525004 149140032 /nfs/dbraw/zinc/14/00/32/149140032.db2.gz MJWJCBOMTQMTNU-MLGOLLRUSA-N 1 2 324.352 2.504 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(N2CCC(c3c[nH]c[nH+]3)CC2)c(F)c1 ZINC000361802384 149224120 /nfs/dbraw/zinc/22/41/20/149224120.db2.gz XOGZUHAKPLJXEA-UHFFFAOYSA-N 1 2 308.288 2.980 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(N2CCC(c3c[nH+]c[nH]3)CC2)c(F)c1 ZINC000361802384 149224122 /nfs/dbraw/zinc/22/41/22/149224122.db2.gz XOGZUHAKPLJXEA-UHFFFAOYSA-N 1 2 308.288 2.980 20 5 DFBDLO COc1cc(NCc2ccc[nH+]c2N(C)C)c(F)cc1[N+](=O)[O-] ZINC000351395524 286124181 /nfs/dbraw/zinc/12/41/81/286124181.db2.gz HUHLNFGIGYZCTN-UHFFFAOYSA-N 1 2 320.324 2.816 20 5 DFBDLO Cc1cnc([C@@H]2CCCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)s1 ZINC000371343370 150026865 /nfs/dbraw/zinc/02/68/65/150026865.db2.gz GKXRPZOHEMZPQZ-LBPRGKRZSA-N 1 2 321.406 2.783 20 5 DFBDLO Cc1cnc([C@@H]2CCCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)s1 ZINC000371343370 150026867 /nfs/dbraw/zinc/02/68/67/150026867.db2.gz GKXRPZOHEMZPQZ-LBPRGKRZSA-N 1 2 321.406 2.783 20 5 DFBDLO Cn1ccnc1[C@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000372945196 150204913 /nfs/dbraw/zinc/20/49/13/150204913.db2.gz HCBABOIYMKCDMT-CQSZACIVSA-N 1 2 316.361 2.544 20 5 DFBDLO Cn1ccnc1[C@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000372945196 150204914 /nfs/dbraw/zinc/20/49/14/150204914.db2.gz HCBABOIYMKCDMT-CQSZACIVSA-N 1 2 316.361 2.544 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000373758387 150253757 /nfs/dbraw/zinc/25/37/57/150253757.db2.gz DPKVILXRRRXXTP-ZDUSSCGKSA-N 1 2 302.334 2.664 20 5 DFBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]2c2ncc[nH]2)c1 ZINC000375006932 150383128 /nfs/dbraw/zinc/38/31/28/150383128.db2.gz XDDVGPIUHVBUPY-AWEZNQCLSA-N 1 2 302.334 2.534 20 5 DFBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H]2c2ncc[nH]2)c1 ZINC000375006932 150383132 /nfs/dbraw/zinc/38/31/32/150383132.db2.gz XDDVGPIUHVBUPY-AWEZNQCLSA-N 1 2 302.334 2.534 20 5 DFBDLO COc1cc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000351971041 286257668 /nfs/dbraw/zinc/25/76/68/286257668.db2.gz NOEPLMNCFUAJOQ-HIFRSBDPSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1cc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000351971041 286257670 /nfs/dbraw/zinc/25/76/70/286257670.db2.gz NOEPLMNCFUAJOQ-HIFRSBDPSA-N 1 2 306.362 2.747 20 5 DFBDLO O=c1[nH]ccc2c1C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC2 ZINC000352407998 286365978 /nfs/dbraw/zinc/36/59/78/286365978.db2.gz SRYNVTXFXNAQLS-UHFFFAOYSA-N 1 2 321.283 2.532 20 5 DFBDLO O=c1[nH]ccc2c1C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC2 ZINC000352407998 286365979 /nfs/dbraw/zinc/36/59/79/286365979.db2.gz SRYNVTXFXNAQLS-UHFFFAOYSA-N 1 2 321.283 2.532 20 5 DFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000493544148 299795030 /nfs/dbraw/zinc/79/50/30/299795030.db2.gz BTKULNFEGWMUCH-IDVQTMNDSA-N 1 2 314.345 2.702 20 5 DFBDLO Cn1cc[nH+]c1[C@H](NCc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000353442827 286646317 /nfs/dbraw/zinc/64/63/17/286646317.db2.gz DCXAYKDNHAVWHR-OAHLLOKOSA-N 1 2 312.329 2.801 20 5 DFBDLO Cc1cnc([C@H](C)[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000356988454 158340124 /nfs/dbraw/zinc/34/01/24/158340124.db2.gz QURBAEBRUPLJBI-RYUDHWBXSA-N 1 2 317.349 2.534 20 5 DFBDLO Cc1cnc([C@H](C)[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000356988454 158340127 /nfs/dbraw/zinc/34/01/27/158340127.db2.gz QURBAEBRUPLJBI-RYUDHWBXSA-N 1 2 317.349 2.534 20 5 DFBDLO COc1cc[nH+]cc1CNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000432752591 296886020 /nfs/dbraw/zinc/88/60/20/296886020.db2.gz NCHXFSNUJWYWKU-UHFFFAOYSA-N 1 2 316.317 2.629 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000129861635 196081493 /nfs/dbraw/zinc/08/14/93/196081493.db2.gz XBTSPVXTCIZUHR-SMDDNHRTSA-N 1 2 301.350 2.582 20 5 DFBDLO C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000134078325 196359227 /nfs/dbraw/zinc/35/92/27/196359227.db2.gz OWHVBWFWGAVVTK-MFKMUULPSA-N 1 2 321.768 2.927 20 5 DFBDLO O=[N+]([O-])c1cnc(Nc2ccc([NH2+]C3CCOCC3)cc2)nc1 ZINC000302164061 230136657 /nfs/dbraw/zinc/13/66/57/230136657.db2.gz QLJXKDGPXLTISC-UHFFFAOYSA-N 1 2 315.333 2.719 20 5 DFBDLO Cn1ncc2c1nc[nH+]c2SCc1ccc([N+](=O)[O-])cc1 ZINC000011675783 425710467 /nfs/dbraw/zinc/71/04/67/425710467.db2.gz SLGLIRVKSZHVFI-UHFFFAOYSA-N 1 2 301.331 2.564 20 5 DFBDLO CC(C)[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032484427 425838816 /nfs/dbraw/zinc/83/88/16/425838816.db2.gz VPYHERONSQNDMP-NSHDSACASA-N 1 2 302.334 2.555 20 5 DFBDLO C[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032485111 425838841 /nfs/dbraw/zinc/83/88/41/425838841.db2.gz YIFQWRLOSOYJCG-LBPRGKRZSA-N 1 2 314.345 2.795 20 5 DFBDLO COc1ccccc1C[N@H+](CCO)Cc1ccccc1[N+](=O)[O-] ZINC000264039955 268172871 /nfs/dbraw/zinc/17/28/71/268172871.db2.gz DIVKAMNLDDNWOS-UHFFFAOYSA-N 1 2 316.357 2.598 20 5 DFBDLO COc1ccccc1C[N@@H+](CCO)Cc1ccccc1[N+](=O)[O-] ZINC000264039955 268172875 /nfs/dbraw/zinc/17/28/75/268172875.db2.gz DIVKAMNLDDNWOS-UHFFFAOYSA-N 1 2 316.357 2.598 20 5 DFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000274252476 268257563 /nfs/dbraw/zinc/25/75/63/268257563.db2.gz YXLGETOLPZRXLS-OUAUKWLOSA-N 1 2 307.350 2.500 20 5 DFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000274252476 268257564 /nfs/dbraw/zinc/25/75/64/268257564.db2.gz YXLGETOLPZRXLS-OUAUKWLOSA-N 1 2 307.350 2.500 20 5 DFBDLO Nc1ccc(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])c[nH+]1 ZINC000308382094 268334540 /nfs/dbraw/zinc/33/45/40/268334540.db2.gz WNDCSBTUSYLPMH-UHFFFAOYSA-N 1 2 313.239 2.598 20 5 DFBDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000314681149 268341479 /nfs/dbraw/zinc/34/14/79/268341479.db2.gz QBGHVLWYQVNBPH-VIFPVBQESA-N 1 2 321.358 2.689 20 5 DFBDLO CC[C@@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000317453382 268345459 /nfs/dbraw/zinc/34/54/59/268345459.db2.gz ZOOSDNZAROFESP-DMTLFAOVSA-N 1 2 300.318 2.599 20 5 DFBDLO Cc1c[nH+]ccc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000107291721 425987411 /nfs/dbraw/zinc/98/74/11/425987411.db2.gz XLCLYMGCQABJNZ-UHFFFAOYSA-N 1 2 323.312 2.736 20 5 DFBDLO Cc1ccnc(N2CC[C@@H](CNc3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000115516611 426166247 /nfs/dbraw/zinc/16/62/47/426166247.db2.gz COJNUTNLINUKMC-ZDUSSCGKSA-N 1 2 313.361 2.632 20 5 DFBDLO CC(C)CN(C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000079961036 426207584 /nfs/dbraw/zinc/20/75/84/426207584.db2.gz UFHDYIPFQXMYDD-UHFFFAOYSA-N 1 2 319.405 2.674 20 5 DFBDLO CC(C)CN(C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000079961036 426207586 /nfs/dbraw/zinc/20/75/86/426207586.db2.gz UFHDYIPFQXMYDD-UHFFFAOYSA-N 1 2 319.405 2.674 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120157222 426307233 /nfs/dbraw/zinc/30/72/33/426307233.db2.gz VSCNSHDEMWBBEW-AWEZNQCLSA-N 1 2 314.345 2.994 20 5 DFBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000121201832 426324363 /nfs/dbraw/zinc/32/43/63/426324363.db2.gz HXYJJTKWHUBYKQ-MRXNPFEDSA-N 1 2 318.329 2.640 20 5 DFBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000121201832 426324365 /nfs/dbraw/zinc/32/43/65/426324365.db2.gz HXYJJTKWHUBYKQ-MRXNPFEDSA-N 1 2 318.329 2.640 20 5 DFBDLO CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607973 426277890 /nfs/dbraw/zinc/27/78/90/426277890.db2.gz VPNVPWPPGYLOMB-LBPRGKRZSA-N 1 2 319.405 2.646 20 5 DFBDLO CCC(CC)NC(=O)[C@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607973 426277892 /nfs/dbraw/zinc/27/78/92/426277892.db2.gz VPNVPWPPGYLOMB-LBPRGKRZSA-N 1 2 319.405 2.646 20 5 DFBDLO Cc1ccc(NC(=O)NCc2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000176745788 426410787 /nfs/dbraw/zinc/41/07/87/426410787.db2.gz REKDMQVYCZTSCE-UHFFFAOYSA-N 1 2 300.318 2.928 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)ccc1Cl ZINC000154009684 426418943 /nfs/dbraw/zinc/41/89/43/426418943.db2.gz HTCZIMMIOCFYBA-NSHDSACASA-N 1 2 324.686 2.747 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)ccc1Cl ZINC000154009684 426418946 /nfs/dbraw/zinc/41/89/46/426418946.db2.gz HTCZIMMIOCFYBA-NSHDSACASA-N 1 2 324.686 2.747 20 5 DFBDLO O=[N+]([O-])c1cc(C[NH2+]CCc2ccc3cn[nH]c3c2)cs1 ZINC000341262733 269054955 /nfs/dbraw/zinc/05/49/55/269054955.db2.gz CXUQOSJLSRRVJF-UHFFFAOYSA-N 1 2 302.359 2.865 20 5 DFBDLO COc1cc[nH+]cc1COc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000341269111 269056262 /nfs/dbraw/zinc/05/62/62/269056262.db2.gz GTTMKDWSHFZLQV-UHFFFAOYSA-N 1 2 302.286 2.780 20 5 DFBDLO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@]2(CCOC2)O1 ZINC000280398424 426566931 /nfs/dbraw/zinc/56/69/31/426566931.db2.gz XOWUUZZLEWOWLN-MRXNPFEDSA-N 1 2 324.352 2.504 20 5 DFBDLO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@]2(CCOC2)O1 ZINC000280398424 426566932 /nfs/dbraw/zinc/56/69/32/426566932.db2.gz XOWUUZZLEWOWLN-MRXNPFEDSA-N 1 2 324.352 2.504 20 5 DFBDLO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cn1)c1c(F)cccc1F ZINC000265278809 426612186 /nfs/dbraw/zinc/61/21/86/426612186.db2.gz VXPFRHLWUSMPSN-CYBMUJFWSA-N 1 2 322.315 2.983 20 5 DFBDLO CCC(=O)c1ccc(NCC[NH+]2CCSCC2)c([N+](=O)[O-])c1 ZINC000280632079 426618399 /nfs/dbraw/zinc/61/83/99/426618399.db2.gz CLLSEYYFZYVSDY-UHFFFAOYSA-N 1 2 323.418 2.648 20 5 DFBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cn1 ZINC000281905243 426789961 /nfs/dbraw/zinc/78/99/61/426789961.db2.gz FVTPPVUKGQSRDR-ZDUSSCGKSA-N 1 2 301.350 2.938 20 5 DFBDLO O=[N+]([O-])c1ccc(CN2CC[NH+](Cc3ccco3)CC2)c(F)c1 ZINC000267067039 426820013 /nfs/dbraw/zinc/82/00/13/426820013.db2.gz UYOHGTSGWUJGDT-UHFFFAOYSA-N 1 2 319.336 2.645 20 5 DFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000247057594 426897491 /nfs/dbraw/zinc/89/74/91/426897491.db2.gz IMUATLWGEQKBKU-DAXOMENPSA-N 1 2 306.362 2.536 20 5 DFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000247057594 426897497 /nfs/dbraw/zinc/89/74/97/426897497.db2.gz IMUATLWGEQKBKU-DAXOMENPSA-N 1 2 306.362 2.536 20 5 DFBDLO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181910781 426992165 /nfs/dbraw/zinc/99/21/65/426992165.db2.gz QSOBNZXPPSHBFJ-GFCCVEGCSA-N 1 2 323.393 2.541 20 5 DFBDLO Cc1sc(C(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)cc1[N+](=O)[O-] ZINC000276359442 427044761 /nfs/dbraw/zinc/04/47/61/427044761.db2.gz AAPHRMLWCBTWDL-LLVKDONJSA-N 1 2 308.363 2.815 20 5 DFBDLO Cc1[nH+]c2ccccc2n1CCNc1ncc([N+](=O)[O-])s1 ZINC000190307204 427070777 /nfs/dbraw/zinc/07/07/77/427070777.db2.gz MHTDPNCJCUPEPG-UHFFFAOYSA-N 1 2 303.347 2.822 20 5 DFBDLO C[C@@H]1SCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1C ZINC000283871560 427090679 /nfs/dbraw/zinc/09/06/79/427090679.db2.gz AICUNTSLBXCPAZ-UWVGGRQHSA-N 1 2 311.363 2.829 20 5 DFBDLO C[C@@H]1SCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1C ZINC000283871560 427090686 /nfs/dbraw/zinc/09/06/86/427090686.db2.gz AICUNTSLBXCPAZ-UWVGGRQHSA-N 1 2 311.363 2.829 20 5 DFBDLO CC[C@H](O)CCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000268732136 427105587 /nfs/dbraw/zinc/10/55/87/427105587.db2.gz XPMBTMYOFJTMBI-AWEZNQCLSA-N 1 2 316.361 2.933 20 5 DFBDLO CCC[C@H]([NH2+][C@@H](C)c1ncnn1C)c1cccc([N+](=O)[O-])c1 ZINC000276581313 427106841 /nfs/dbraw/zinc/10/68/41/427106841.db2.gz IDNUUNAMGRZDGQ-FZMZJTMJSA-N 1 2 303.366 2.915 20 5 DFBDLO CN(CCCn1cc[nH+]c1)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000292034184 427063810 /nfs/dbraw/zinc/06/38/10/427063810.db2.gz UPSKMSONUZUCJU-UHFFFAOYSA-N 1 2 311.345 2.866 20 5 DFBDLO CC(C)[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000284183609 427151999 /nfs/dbraw/zinc/15/19/99/427151999.db2.gz VYHYJVUNWCUTTA-GFCCVEGCSA-N 1 2 303.322 2.837 20 5 DFBDLO CCOc1nnc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])s1 ZINC000292270404 427152097 /nfs/dbraw/zinc/15/20/97/427152097.db2.gz ZMHZYHGGQRZFNY-UHFFFAOYSA-N 1 2 322.390 2.870 20 5 DFBDLO O=c1[nH]ccc2c1C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC2 ZINC000276963165 427130333 /nfs/dbraw/zinc/13/03/33/427130333.db2.gz QEDGTRPUBGPJRK-UHFFFAOYSA-N 1 2 319.748 2.907 20 5 DFBDLO O=c1[nH]ccc2c1C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC2 ZINC000276963165 427130341 /nfs/dbraw/zinc/13/03/41/427130341.db2.gz QEDGTRPUBGPJRK-UHFFFAOYSA-N 1 2 319.748 2.907 20 5 DFBDLO CC(C)Cn1ncnc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000183101738 427198921 /nfs/dbraw/zinc/19/89/21/427198921.db2.gz WJLNLKKCIKXCPB-LBPRGKRZSA-N 1 2 303.366 2.693 20 5 DFBDLO CCc1ccc([C@@H](CO)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000338274735 427227884 /nfs/dbraw/zinc/22/78/84/427227884.db2.gz MLZVYBPDGUUWKW-MRXNPFEDSA-N 1 2 316.357 2.686 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000277544777 427237119 /nfs/dbraw/zinc/23/71/19/427237119.db2.gz SHGIMKAQENJISA-FKQSZABXSA-N 1 2 310.419 2.665 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000277544777 427237122 /nfs/dbraw/zinc/23/71/22/427237122.db2.gz SHGIMKAQENJISA-FKQSZABXSA-N 1 2 310.419 2.665 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@](O)(C(F)(F)F)C2)cs1 ZINC000330604593 427273532 /nfs/dbraw/zinc/27/35/32/427273532.db2.gz HCOQJZOIHOMCON-SNVBAGLBSA-N 1 2 310.297 2.546 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)C2)cs1 ZINC000330604593 427273537 /nfs/dbraw/zinc/27/35/37/427273537.db2.gz HCOQJZOIHOMCON-SNVBAGLBSA-N 1 2 310.297 2.546 20 5 DFBDLO COc1cc(NC[C@@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])cc1OC ZINC000271061403 427391599 /nfs/dbraw/zinc/39/15/99/427391599.db2.gz SNKBFGMCAQTFEZ-LLVKDONJSA-N 1 2 320.349 2.557 20 5 DFBDLO Cn1cc([C@H]2CSCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000191743017 427419382 /nfs/dbraw/zinc/41/93/82/427419382.db2.gz OTVJLDWZSAKGNI-OAHLLOKOSA-N 1 2 318.402 2.618 20 5 DFBDLO Cn1cc([C@H]2CSCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000191743017 427419392 /nfs/dbraw/zinc/41/93/92/427419392.db2.gz OTVJLDWZSAKGNI-OAHLLOKOSA-N 1 2 318.402 2.618 20 5 DFBDLO COc1cc(C[N@@H+]2CCS[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000184200381 427414001 /nfs/dbraw/zinc/41/40/01/427414001.db2.gz YSTKFTLQFTUBRM-VIFPVBQESA-N 1 2 300.355 2.680 20 5 DFBDLO COc1cc(C[N@H+]2CCS[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000184200381 427414007 /nfs/dbraw/zinc/41/40/07/427414007.db2.gz YSTKFTLQFTUBRM-VIFPVBQESA-N 1 2 300.355 2.680 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000331169682 427362088 /nfs/dbraw/zinc/36/20/88/427362088.db2.gz NRLGMLPOMQUSJS-SNVBAGLBSA-N 1 2 320.315 2.739 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000331169682 427362096 /nfs/dbraw/zinc/36/20/96/427362096.db2.gz NRLGMLPOMQUSJS-SNVBAGLBSA-N 1 2 320.315 2.739 20 5 DFBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000277933182 427365016 /nfs/dbraw/zinc/36/50/16/427365016.db2.gz NQJGQUGJQYBMAA-SNVBAGLBSA-N 1 2 322.752 2.572 20 5 DFBDLO COc1cc(C)[nH+]c(CNc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000271234263 427462870 /nfs/dbraw/zinc/46/28/70/427462870.db2.gz VVUJPXMPDDIQIA-UHFFFAOYSA-N 1 2 303.318 2.928 20 5 DFBDLO Cc1cc(NCC[C@H](C)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000338753104 427468869 /nfs/dbraw/zinc/46/88/69/427468869.db2.gz HJUPTHGIOAUCFX-JTQLQIEISA-N 1 2 304.325 2.942 20 5 DFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@H]1CCC[C@@H]1F ZINC000338840015 427516476 /nfs/dbraw/zinc/51/64/76/427516476.db2.gz CUGVRPHOUTVFLP-KBPBESRZSA-N 1 2 323.368 2.730 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](Cc2ccncc2)CC1 ZINC000263725501 427552664 /nfs/dbraw/zinc/55/26/64/427552664.db2.gz KSZZNZDOBLDDSA-UHFFFAOYSA-N 1 2 312.373 2.620 20 5 DFBDLO COc1cc(C[NH2+][C@H](CCO)c2ccco2)c([N+](=O)[O-])cc1F ZINC000185065461 427590345 /nfs/dbraw/zinc/59/03/45/427590345.db2.gz ISWAYUWGEYARLW-GFCCVEGCSA-N 1 2 324.308 2.549 20 5 DFBDLO Nc1ccc([N+](=O)[O-])c(NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000192778894 427607378 /nfs/dbraw/zinc/60/73/78/427607378.db2.gz JLIVDLJOVFDEJB-UHFFFAOYSA-N 1 2 313.361 2.653 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(O)cc(F)c1 ZINC000185516763 427665561 /nfs/dbraw/zinc/66/55/61/427665561.db2.gz WCJHTKDNKUWAKJ-UHFFFAOYSA-N 1 2 306.293 2.738 20 5 DFBDLO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339037382 427641272 /nfs/dbraw/zinc/64/12/72/427641272.db2.gz KXHSIWCVBXRHDR-SJKOYZFVSA-N 1 2 322.405 2.967 20 5 DFBDLO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339053940 427651734 /nfs/dbraw/zinc/65/17/34/427651734.db2.gz GSHCCWUHDSKXMO-BBRMVZONSA-N 1 2 322.361 2.512 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](c2[nH+]ccn2C)C2CC2)n1 ZINC000343266418 272109087 /nfs/dbraw/zinc/10/90/87/272109087.db2.gz DDAOXUXTKSMOCL-GFCCVEGCSA-N 1 2 301.350 2.903 20 5 DFBDLO O=[N+]([O-])c1ccccc1CC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000343649441 272193582 /nfs/dbraw/zinc/19/35/82/272193582.db2.gz HWDWUWBIGZZRSG-INIZCTEOSA-N 1 2 323.356 2.635 20 5 DFBDLO COc1cccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000185624750 427683407 /nfs/dbraw/zinc/68/34/07/427683407.db2.gz SGFQIPWUMJEIQT-GFCCVEGCSA-N 1 2 314.345 2.689 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(F)cn1 ZINC000344926506 272386137 /nfs/dbraw/zinc/38/61/37/272386137.db2.gz JWSZXKKTHDJKHD-UHFFFAOYSA-N 1 2 305.309 2.817 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000339122590 427688407 /nfs/dbraw/zinc/68/84/07/427688407.db2.gz AZZDFKKDIQRHTA-WBVHZDCISA-N 1 2 314.341 2.920 20 5 DFBDLO Cc1ccc(CCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c[nH+]1 ZINC000301227903 427783555 /nfs/dbraw/zinc/78/35/55/427783555.db2.gz CRHQEATYYAHCMQ-UHFFFAOYSA-N 1 2 302.290 2.861 20 5 DFBDLO C[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCOC[C@H]1C ZINC000301267939 427786277 /nfs/dbraw/zinc/78/62/77/427786277.db2.gz WRFFXAPZNFRZCA-WDEREUQCSA-N 1 2 313.785 2.769 20 5 DFBDLO C[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCOC[C@H]1C ZINC000301267939 427786278 /nfs/dbraw/zinc/78/62/78/427786278.db2.gz WRFFXAPZNFRZCA-WDEREUQCSA-N 1 2 313.785 2.769 20 5 DFBDLO COc1cc([C@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])ccn1 ZINC000339207018 427730818 /nfs/dbraw/zinc/73/08/18/427730818.db2.gz ZVULEOSBAJEDOP-JTQLQIEISA-N 1 2 303.318 2.555 20 5 DFBDLO O=[N+]([O-])c1c(F)cccc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000301651826 427812704 /nfs/dbraw/zinc/81/27/04/427812704.db2.gz SORNHTZVIJADTL-GFCCVEGCSA-N 1 2 303.293 2.787 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(F)c1 ZINC000301787676 427824556 /nfs/dbraw/zinc/82/45/56/427824556.db2.gz MMGYVXTYUUJLKM-GFCCVEGCSA-N 1 2 321.283 2.926 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000345630574 427835463 /nfs/dbraw/zinc/83/54/63/427835463.db2.gz GAEPMZKLPAAUIM-LBPRGKRZSA-N 1 2 322.258 2.623 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000345630574 427835470 /nfs/dbraw/zinc/83/54/70/427835470.db2.gz GAEPMZKLPAAUIM-LBPRGKRZSA-N 1 2 322.258 2.623 20 5 DFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3[nH]c4ccccc4[nH+]3)C2)nc1 ZINC000302781178 427868836 /nfs/dbraw/zinc/86/88/36/427868836.db2.gz JEJCHOLHFWUBBX-LLVKDONJSA-N 1 2 324.344 2.557 20 5 DFBDLO Nc1c(F)c(NCCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000356193886 428062339 /nfs/dbraw/zinc/06/23/39/428062339.db2.gz QPGTWURAAQHJFI-UHFFFAOYSA-N 1 2 305.313 2.625 20 5 DFBDLO COCCCOCCN(C)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413239867 427999414 /nfs/dbraw/zinc/99/94/14/427999414.db2.gz ZFTMQTMWJWEORO-UHFFFAOYSA-N 1 2 319.361 2.632 20 5 DFBDLO Cc1cc(NCCNc2ccc([N+](=O)[O-])cc2)nc(C2CC2)[nH+]1 ZINC000341468730 428075904 /nfs/dbraw/zinc/07/59/04/428075904.db2.gz VTOOTRKTDZZVDL-UHFFFAOYSA-N 1 2 313.361 3.095 20 5 DFBDLO C[C@@H](NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC000346229612 428081468 /nfs/dbraw/zinc/08/14/68/428081468.db2.gz RUDRSUBPKGUQGU-ZWNOBZJWSA-N 1 2 314.345 2.615 20 5 DFBDLO C[C@@H](NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21)c1cccc([N+](=O)[O-])c1 ZINC000346229612 428081474 /nfs/dbraw/zinc/08/14/74/428081474.db2.gz RUDRSUBPKGUQGU-ZWNOBZJWSA-N 1 2 314.345 2.615 20 5 DFBDLO C[C@@H](NC(=O)[C@H]1CCCc2[nH+]c[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC000346229611 428082066 /nfs/dbraw/zinc/08/20/66/428082066.db2.gz RUDRSUBPKGUQGU-MFKMUULPSA-N 1 2 314.345 2.615 20 5 DFBDLO C[C@@H](NC(=O)[C@H]1CCCc2[nH]c[nH+]c21)c1cccc([N+](=O)[O-])c1 ZINC000346229611 428082068 /nfs/dbraw/zinc/08/20/68/428082068.db2.gz RUDRSUBPKGUQGU-MFKMUULPSA-N 1 2 314.345 2.615 20 5 DFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCCCF ZINC000359954171 428092434 /nfs/dbraw/zinc/09/24/34/428092434.db2.gz KDOQXGKZCWXXQL-UHFFFAOYSA-N 1 2 311.357 2.589 20 5 DFBDLO CCN1CCN(c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1c1[nH]cc[nH+]1 ZINC000359993426 428108314 /nfs/dbraw/zinc/10/83/14/428108314.db2.gz NKPQBGJUWRMUEI-HNNXBMFYSA-N 1 2 315.377 2.510 20 5 DFBDLO Cc1cn2c([nH+]1)CN(c1ccc([N+](=O)[O-])c3cccnc31)CC2 ZINC000359998495 428110095 /nfs/dbraw/zinc/11/00/95/428110095.db2.gz XDBCBMRBOAADDF-UHFFFAOYSA-N 1 2 309.329 2.668 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC=C(c2cccs2)CC1 ZINC000370054671 428124023 /nfs/dbraw/zinc/12/40/23/428124023.db2.gz CMIJLGRXDAUDET-UHFFFAOYSA-N 1 2 304.375 2.679 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC=C(c2cccs2)CC1 ZINC000370054671 428124028 /nfs/dbraw/zinc/12/40/28/428124028.db2.gz CMIJLGRXDAUDET-UHFFFAOYSA-N 1 2 304.375 2.679 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])cc1-c1nc(Cc2c[nH+]cn2C)no1 ZINC000351317356 428064812 /nfs/dbraw/zinc/06/48/12/428064812.db2.gz CXECGSQEEPJNTH-UHFFFAOYSA-N 1 2 313.317 2.586 20 5 DFBDLO CN(C)c1[nH+]cccc1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352368837 428135378 /nfs/dbraw/zinc/13/53/78/428135378.db2.gz VYVBXUOBPZRLDR-UHFFFAOYSA-N 1 2 323.356 3.216 20 5 DFBDLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352544260 428143993 /nfs/dbraw/zinc/14/39/93/428143993.db2.gz PKOWMDWJBOEXLF-LBPRGKRZSA-N 1 2 308.378 2.799 20 5 DFBDLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352544260 428143995 /nfs/dbraw/zinc/14/39/95/428143995.db2.gz PKOWMDWJBOEXLF-LBPRGKRZSA-N 1 2 308.378 2.799 20 5 DFBDLO COC(=O)[C@H](CC1CC1)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414487796 428314358 /nfs/dbraw/zinc/31/43/58/428314358.db2.gz LEJKPBOLHJGKEO-DOMZBBRYSA-N 1 2 320.389 2.847 20 5 DFBDLO CC(C)n1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000342169815 428333270 /nfs/dbraw/zinc/33/32/70/428333270.db2.gz QPEBQLKXVSQRGI-UHFFFAOYSA-N 1 2 309.757 2.710 20 5 DFBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCOc1ccc(F)cc1)CC2 ZINC000352997291 428342891 /nfs/dbraw/zinc/34/28/91/428342891.db2.gz LCLVHDRUDSKPRX-UHFFFAOYSA-N 1 2 317.320 2.566 20 5 DFBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCOc1ccc(F)cc1)CC2 ZINC000352997291 428342896 /nfs/dbraw/zinc/34/28/96/428342896.db2.gz LCLVHDRUDSKPRX-UHFFFAOYSA-N 1 2 317.320 2.566 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378083627 428304612 /nfs/dbraw/zinc/30/46/12/428304612.db2.gz KVIOHTATYRYHKU-UHFFFAOYSA-N 1 2 314.345 2.646 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378083627 428304618 /nfs/dbraw/zinc/30/46/18/428304618.db2.gz KVIOHTATYRYHKU-UHFFFAOYSA-N 1 2 314.345 2.646 20 5 DFBDLO Cc1nc(NCc2cccc(-c3[nH+]ccn3C)c2)ccc1[N+](=O)[O-] ZINC000378411996 428391531 /nfs/dbraw/zinc/39/15/31/428391531.db2.gz OJFJUVRXAKOCDO-UHFFFAOYSA-N 1 2 323.356 3.311 20 5 DFBDLO Cc1cc(C(=O)N2CCC[C@H]2c2[nH+]ccn2C)cc([N+](=O)[O-])c1 ZINC000360642412 428381066 /nfs/dbraw/zinc/38/10/66/428381066.db2.gz ORDVYFQCTIVLEZ-AWEZNQCLSA-N 1 2 314.345 2.614 20 5 DFBDLO Cc1c[nH+]c(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1C ZINC000342792948 428457504 /nfs/dbraw/zinc/45/75/04/428457504.db2.gz QWWJPQBRFSAABY-UHFFFAOYSA-N 1 2 300.362 2.801 20 5 DFBDLO CCn1c(C)nc([N+](=O)[O-])c1NCc1[nH+]ccn1CC(C)C ZINC000360982408 428523753 /nfs/dbraw/zinc/52/37/53/428523753.db2.gz BGGZUUWBAJFTOH-UHFFFAOYSA-N 1 2 306.370 2.584 20 5 DFBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@](C)(F)C2)cccc1[N+](=O)[O-] ZINC000347343819 428556374 /nfs/dbraw/zinc/55/63/74/428556374.db2.gz HKGGUBMDEWEINX-ABAIWWIYSA-N 1 2 309.341 2.664 20 5 DFBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@](C)(F)C2)cccc1[N+](=O)[O-] ZINC000347343819 428556377 /nfs/dbraw/zinc/55/63/77/428556377.db2.gz HKGGUBMDEWEINX-ABAIWWIYSA-N 1 2 309.341 2.664 20 5 DFBDLO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000361907400 428602357 /nfs/dbraw/zinc/60/23/57/428602357.db2.gz XJOFGWCRISMHGU-LSDHHAIUSA-N 1 2 308.378 2.982 20 5 DFBDLO C[C@@H]1C[N@H+](C)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000408113473 428605490 /nfs/dbraw/zinc/60/54/90/428605490.db2.gz SPBKXAQZFAZICG-SNVBAGLBSA-N 1 2 319.386 2.586 20 5 DFBDLO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000408113473 428605496 /nfs/dbraw/zinc/60/54/96/428605496.db2.gz SPBKXAQZFAZICG-SNVBAGLBSA-N 1 2 319.386 2.586 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000373736914 428642722 /nfs/dbraw/zinc/64/27/22/428642722.db2.gz PSGRSVZKOJRYOA-CABCVRRESA-N 1 2 306.362 2.747 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000373736914 428642724 /nfs/dbraw/zinc/64/27/24/428642724.db2.gz PSGRSVZKOJRYOA-CABCVRRESA-N 1 2 306.362 2.747 20 5 DFBDLO CSc1ccccc1C[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000348320907 428707534 /nfs/dbraw/zinc/70/75/34/428707534.db2.gz LYJHGJWHHXUOFR-UHFFFAOYSA-N 1 2 306.391 2.682 20 5 DFBDLO CSc1ccccc1C[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000348320907 428707541 /nfs/dbraw/zinc/70/75/41/428707541.db2.gz LYJHGJWHHXUOFR-UHFFFAOYSA-N 1 2 306.391 2.682 20 5 DFBDLO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000353777544 428711070 /nfs/dbraw/zinc/71/10/70/428711070.db2.gz BKPISIUUXZHVBF-LSDHHAIUSA-N 1 2 308.378 2.936 20 5 DFBDLO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000353777544 428711074 /nfs/dbraw/zinc/71/10/74/428711074.db2.gz BKPISIUUXZHVBF-LSDHHAIUSA-N 1 2 308.378 2.936 20 5 DFBDLO CCC(=O)c1ccc(NCc2ccc(N)[nH+]c2)c([N+](=O)[O-])c1 ZINC000358916977 428729208 /nfs/dbraw/zinc/72/92/08/428729208.db2.gz UZCLPHJYZRGDDM-UHFFFAOYSA-N 1 2 300.318 2.777 20 5 DFBDLO CCC(=O)c1ccc(Nc2ccc(NC)[nH+]c2)c([N+](=O)[O-])c1 ZINC000358953533 428746515 /nfs/dbraw/zinc/74/65/15/428746515.db2.gz NNFZHYZROXBBQF-UHFFFAOYSA-N 1 2 300.318 3.368 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000359081712 428808127 /nfs/dbraw/zinc/80/81/27/428808127.db2.gz KMHKFSLZHLXTOM-CYBMUJFWSA-N 1 2 313.361 2.692 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000359089675 428812233 /nfs/dbraw/zinc/81/22/33/428812233.db2.gz DDPZEBUGTQAYHB-SMDDNHRTSA-N 1 2 315.377 2.891 20 5 DFBDLO CCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C)C(=O)OCC ZINC000411640599 428831087 /nfs/dbraw/zinc/83/10/87/428831087.db2.gz JBDPBMPDXLFRAU-LBPRGKRZSA-N 1 2 324.377 2.767 20 5 DFBDLO CCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C)C(=O)OCC ZINC000411640599 428831090 /nfs/dbraw/zinc/83/10/90/428831090.db2.gz JBDPBMPDXLFRAU-LBPRGKRZSA-N 1 2 324.377 2.767 20 5 DFBDLO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000349576324 429008471 /nfs/dbraw/zinc/00/84/71/429008471.db2.gz DBWVNFJYUUBOPW-UHFFFAOYSA-N 1 2 316.313 2.661 20 5 DFBDLO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000349576324 429008479 /nfs/dbraw/zinc/00/84/79/429008479.db2.gz DBWVNFJYUUBOPW-UHFFFAOYSA-N 1 2 316.313 2.661 20 5 DFBDLO NC(=O)[C@@H]1CCC[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413155086 429150969 /nfs/dbraw/zinc/15/09/69/429150969.db2.gz PDFXTUDEWFQHOS-NEPJUHHUSA-N 1 2 314.345 2.599 20 5 DFBDLO CC[C@@H](C)NC(=O)CCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413069262 429130671 /nfs/dbraw/zinc/13/06/71/429130671.db2.gz KNKMKIVCEBVFFS-LLVKDONJSA-N 1 2 316.361 2.860 20 5 DFBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3ccc(F)cc3F)C2)c1 ZINC000364339414 429184983 /nfs/dbraw/zinc/18/49/83/429184983.db2.gz DJQKSHHJDXEHHS-ZDUSSCGKSA-N 1 2 322.315 2.907 20 5 DFBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3ccc(F)cc3F)C2)c1 ZINC000364339414 429184986 /nfs/dbraw/zinc/18/49/86/429184986.db2.gz DJQKSHHJDXEHHS-ZDUSSCGKSA-N 1 2 322.315 2.907 20 5 DFBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3ccc(F)cc3F)C2)c1 ZINC000364339412 429185728 /nfs/dbraw/zinc/18/57/28/429185728.db2.gz DJQKSHHJDXEHHS-CYBMUJFWSA-N 1 2 322.315 2.907 20 5 DFBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3F)C2)c1 ZINC000364339412 429185732 /nfs/dbraw/zinc/18/57/32/429185732.db2.gz DJQKSHHJDXEHHS-CYBMUJFWSA-N 1 2 322.315 2.907 20 5 DFBDLO COc1cccc(C(=O)NCc2c[nH+]c(C)cc2C)c1[N+](=O)[O-] ZINC000456830701 429352983 /nfs/dbraw/zinc/35/29/83/429352983.db2.gz DGEKTPSTGXIWTP-UHFFFAOYSA-N 1 2 315.329 2.545 20 5 DFBDLO Cc1cc(C)c(CNC(=O)Cc2cccc([N+](=O)[O-])c2C)c[nH+]1 ZINC000456845757 429356799 /nfs/dbraw/zinc/35/67/99/429356799.db2.gz SUPONAAJLSRUCD-UHFFFAOYSA-N 1 2 313.357 2.774 20 5 DFBDLO CC(C)[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](CO)C(C)C ZINC000449509859 429438154 /nfs/dbraw/zinc/43/81/54/429438154.db2.gz JWXCOQPJXXYWJV-GOEBONIOSA-N 1 2 310.394 2.679 20 5 DFBDLO C[C@H](CC(=O)N1CCCc2c([N+](=O)[O-])cccc21)n1cc[nH+]c1 ZINC000518986328 429441545 /nfs/dbraw/zinc/44/15/45/429441545.db2.gz JYSRAOPDGYCLJZ-GFCCVEGCSA-N 1 2 314.345 2.722 20 5 DFBDLO CC1(C)CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[S@]1=O ZINC000449570040 429450511 /nfs/dbraw/zinc/45/05/11/429450511.db2.gz FVWFLYKMZAMOGQ-YHCZKZFASA-N 1 2 322.430 2.841 20 5 DFBDLO CC1(C)CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[S@]1=O ZINC000449570040 429450512 /nfs/dbraw/zinc/45/05/12/429450512.db2.gz FVWFLYKMZAMOGQ-YHCZKZFASA-N 1 2 322.430 2.841 20 5 DFBDLO CC[C@H]1C(=O)N(CC)CC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000428439328 429522151 /nfs/dbraw/zinc/52/21/51/429522151.db2.gz CFGUGMHUCCSDFW-HEWZJLJBSA-N 1 2 317.389 2.551 20 5 DFBDLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000428439328 429522153 /nfs/dbraw/zinc/52/21/53/429522153.db2.gz CFGUGMHUCCSDFW-HEWZJLJBSA-N 1 2 317.389 2.551 20 5 DFBDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000492490753 429549762 /nfs/dbraw/zinc/54/97/62/429549762.db2.gz IOYFHZQKLLJCIB-KRZKBDHCSA-N 1 2 314.345 2.702 20 5 DFBDLO C[C@H]1CC[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450108565 429566936 /nfs/dbraw/zinc/56/69/36/429566936.db2.gz WNJQMNBJYWZXDL-RYUDHWBXSA-N 1 2 314.345 2.794 20 5 DFBDLO Cc1n[nH]c(C2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)n1 ZINC000367297770 429615305 /nfs/dbraw/zinc/61/53/05/429615305.db2.gz FLLFFIVVPISLIQ-UHFFFAOYSA-N 1 2 319.340 2.540 20 5 DFBDLO Cc1nnc(C2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)[nH]1 ZINC000367297770 429615310 /nfs/dbraw/zinc/61/53/10/429615310.db2.gz FLLFFIVVPISLIQ-UHFFFAOYSA-N 1 2 319.340 2.540 20 5 DFBDLO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492815348 429621403 /nfs/dbraw/zinc/62/14/03/429621403.db2.gz WTGOZCNIDGIVQP-GORDUTHDSA-N 1 2 320.736 2.643 20 5 DFBDLO CC[C@@H]([NH2+]Cc1cn(CC2CC2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000450684264 429678365 /nfs/dbraw/zinc/67/83/65/429678365.db2.gz RJLNCGLPPUBSIH-MRXNPFEDSA-N 1 2 315.377 2.837 20 5 DFBDLO O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1c[nH+]c2n1CCCC2 ZINC000493066264 429681040 /nfs/dbraw/zinc/68/10/40/429681040.db2.gz SDVGKQNQAPPWIL-CMDGGOBGSA-N 1 2 312.329 2.780 20 5 DFBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCn2c(C)c(C)[nH+]c2C1 ZINC000367943819 429750402 /nfs/dbraw/zinc/75/04/02/429750402.db2.gz JFHXCYKIWBPDKJ-UHFFFAOYSA-N 1 2 314.345 2.631 20 5 DFBDLO COc1cc[nH+]cc1CNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000431428949 429762502 /nfs/dbraw/zinc/76/25/02/429762502.db2.gz HNSGNGWVOFGHAC-UHFFFAOYSA-N 1 2 301.302 2.813 20 5 DFBDLO Cc1nc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451547689 429850614 /nfs/dbraw/zinc/85/06/14/429850614.db2.gz LRVWJTVZZRNTFQ-ZDUSSCGKSA-N 1 2 302.334 2.666 20 5 DFBDLO Cc1nc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451547689 429850616 /nfs/dbraw/zinc/85/06/16/429850616.db2.gz LRVWJTVZZRNTFQ-ZDUSSCGKSA-N 1 2 302.334 2.666 20 5 DFBDLO C[C@H]([C@H](C)Nc1c(Cl)cccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000432308882 429813054 /nfs/dbraw/zinc/81/30/54/429813054.db2.gz UZQFNHYTDZOLSL-WDEREUQCSA-N 1 2 313.785 2.769 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1nnc(C(C)C)[nH]1 ZINC000580875596 430158549 /nfs/dbraw/zinc/15/85/49/430158549.db2.gz CPUSYSQWFNWYAW-NSHDSACASA-N 1 2 303.366 2.996 20 5 DFBDLO C[C@H](Nc1nc(N)c2ccccc2[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000539236878 430176564 /nfs/dbraw/zinc/17/65/64/430176564.db2.gz RBRMTXJJSFRWQW-JTQLQIEISA-N 1 2 309.329 2.715 20 5 DFBDLO C[C@H](C(=O)Nc1ccc[nH+]c1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000562397887 430128703 /nfs/dbraw/zinc/12/87/03/430128703.db2.gz XVTOJAGOXMLCBM-NSHDSACASA-N 1 2 314.345 2.798 20 5 DFBDLO CCc1nnc([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])[nH]1 ZINC000581499177 430215659 /nfs/dbraw/zinc/21/56/59/430215659.db2.gz WFIWZULOXODEFJ-BXKDBHETSA-N 1 2 301.350 2.613 20 5 DFBDLO CCOC(=O)[C@@H](CC(C)C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000542979722 430234843 /nfs/dbraw/zinc/23/48/43/430234843.db2.gz KPCMPSLVYCXTBZ-MRXNPFEDSA-N 1 2 320.389 2.931 20 5 DFBDLO CCOC(=O)[C@@H](CC(C)C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000542979722 430234845 /nfs/dbraw/zinc/23/48/45/430234845.db2.gz KPCMPSLVYCXTBZ-MRXNPFEDSA-N 1 2 320.389 2.931 20 5 DFBDLO CCc1ccc(C(=O)NC(C)(C)c2[nH]cc(C)[nH+]2)cc1[N+](=O)[O-] ZINC000568771745 430391055 /nfs/dbraw/zinc/39/10/55/430391055.db2.gz CVNFLEIQORQBNE-UHFFFAOYSA-N 1 2 316.361 2.854 20 5 DFBDLO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](C)S1 ZINC000547853345 430429548 /nfs/dbraw/zinc/42/95/48/430429548.db2.gz GMZXQNWUGSRBEJ-AOOOYVTPSA-N 1 2 306.391 2.797 20 5 DFBDLO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](C)S1 ZINC000547853345 430429550 /nfs/dbraw/zinc/42/95/50/430429550.db2.gz GMZXQNWUGSRBEJ-AOOOYVTPSA-N 1 2 306.391 2.797 20 5 DFBDLO Cc1cccc(CCCNc2ncnc3ccc([N+](=O)[O-])cc32)[nH+]1 ZINC000588062728 430482612 /nfs/dbraw/zinc/48/26/12/430482612.db2.gz LDDBXRDWHIWKCY-UHFFFAOYSA-N 1 2 323.356 3.286 20 5 DFBDLO COCCCNc1ccc(-c2ccc(C)c([N+](=O)[O-])c2)c[nH+]1 ZINC000600791976 430534250 /nfs/dbraw/zinc/53/42/50/430534250.db2.gz UFPRWXOMTNHOLW-UHFFFAOYSA-N 1 2 301.346 3.414 20 5 DFBDLO C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000549859833 430534715 /nfs/dbraw/zinc/53/47/15/430534715.db2.gz BZERKYRDEURWOW-CYBMUJFWSA-N 1 2 316.357 2.683 20 5 DFBDLO C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000549859833 430534716 /nfs/dbraw/zinc/53/47/16/430534716.db2.gz BZERKYRDEURWOW-CYBMUJFWSA-N 1 2 316.357 2.683 20 5 DFBDLO Cn1ccnc1[C@@H]([NH2+][C@H]1CCC[C@H]1F)c1cccc([N+](=O)[O-])c1 ZINC000551304052 430553495 /nfs/dbraw/zinc/55/34/95/430553495.db2.gz AXOGZHSAUYITIS-ILXRZTDVSA-N 1 2 318.352 2.898 20 5 DFBDLO CC1=CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000572226022 430676673 /nfs/dbraw/zinc/67/66/73/430676673.db2.gz MLBKNMBEFCBIBE-UHFFFAOYSA-N 1 2 317.389 2.583 20 5 DFBDLO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1c([N+](=O)[O-])ncn1C)CCC2 ZINC000377967843 282029514 /nfs/dbraw/zinc/02/95/14/282029514.db2.gz SBKWGCLKDOXIAA-NSHDSACASA-N 1 2 321.406 2.603 20 5 DFBDLO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1c([N+](=O)[O-])ncn1C)CCC2 ZINC000377967843 282029516 /nfs/dbraw/zinc/02/95/16/282029516.db2.gz SBKWGCLKDOXIAA-NSHDSACASA-N 1 2 321.406 2.603 20 5 DFBDLO CCn1c(C)nnc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292135304 288679711 /nfs/dbraw/zinc/67/97/11/288679711.db2.gz LTPKCSRFNLCBAP-UHFFFAOYSA-N 1 2 303.366 2.540 20 5 DFBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000295136314 288737229 /nfs/dbraw/zinc/73/72/29/288737229.db2.gz LSCCEDNGLMDHKA-CYBMUJFWSA-N 1 2 322.409 2.792 20 5 DFBDLO C[NH+](C)Cc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000436949260 297047070 /nfs/dbraw/zinc/04/70/70/297047070.db2.gz QXGWISXIYNAKSR-UHFFFAOYSA-N 1 2 315.329 2.614 20 5 DFBDLO COc1cnccc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000438479995 297094921 /nfs/dbraw/zinc/09/49/21/297094921.db2.gz CYEWJVSDJPKHKQ-SNVBAGLBSA-N 1 2 305.309 2.988 20 5 DFBDLO CC[C@@H](NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1[nH]cc[nH+]1 ZINC000442804221 297207252 /nfs/dbraw/zinc/20/72/52/297207252.db2.gz VWWBITOLEBYECB-NOZJJQNGSA-N 1 2 320.324 2.828 20 5 DFBDLO CC[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1[nH]cc[nH+]1 ZINC000442802892 297207269 /nfs/dbraw/zinc/20/72/69/297207269.db2.gz RGLUPBLSFAKLHK-NSHDSACASA-N 1 2 314.301 2.945 20 5 DFBDLO O=[N+]([O-])c1ccccc1CN[C@@H](c1[nH]cc[nH+]1)c1ccccn1 ZINC000447573373 297308818 /nfs/dbraw/zinc/30/88/18/297308818.db2.gz HLYZEKLNARZLBB-OAHLLOKOSA-N 1 2 309.329 2.592 20 5 DFBDLO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1-n1cc[nH+]c1 ZINC000447683359 297313012 /nfs/dbraw/zinc/31/30/12/297313012.db2.gz PITVHXVOJYRJSF-UHFFFAOYSA-N 1 2 308.166 2.830 20 5 DFBDLO CN(CCC1CC1)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447816610 297318304 /nfs/dbraw/zinc/31/83/04/297318304.db2.gz JZYLIGNBPGGFAY-UHFFFAOYSA-N 1 2 319.405 2.663 20 5 DFBDLO CC[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448891325 297379572 /nfs/dbraw/zinc/37/95/72/297379572.db2.gz RDAFDFGCEAFJFM-ZDUSSCGKSA-N 1 2 314.345 2.795 20 5 DFBDLO CC[C@H](C)CN(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448950371 297382262 /nfs/dbraw/zinc/38/22/62/297382262.db2.gz MZWYDZNBCQPGAM-LBPRGKRZSA-N 1 2 316.361 2.899 20 5 DFBDLO CCC[C@H]1C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450002973 297573575 /nfs/dbraw/zinc/57/35/75/297573575.db2.gz FKNAQNKCLMTJIE-WCQYABFASA-N 1 2 314.345 2.699 20 5 DFBDLO COC(=O)c1csc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000451102358 297748233 /nfs/dbraw/zinc/74/82/33/297748233.db2.gz JACMLGIUOLLCOL-VIFPVBQESA-N 1 2 321.358 2.689 20 5 DFBDLO CC(C)OC(=O)[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000451605539 297843529 /nfs/dbraw/zinc/84/35/29/297843529.db2.gz NAMRLYGRVYMRSN-HNNXBMFYSA-N 1 2 324.377 2.539 20 5 DFBDLO C[C@H](C(=O)N1CCCCCC1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192639262 298015524 /nfs/dbraw/zinc/01/55/24/298015524.db2.gz DHRKKFCIHGWGAS-CQSZACIVSA-N 1 2 319.405 2.818 20 5 DFBDLO C[C@H](C(=O)N1CCCCCC1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192639262 298015529 /nfs/dbraw/zinc/01/55/29/298015529.db2.gz DHRKKFCIHGWGAS-CQSZACIVSA-N 1 2 319.405 2.818 20 5 DFBDLO C[C@@H]1C[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000454140658 298125392 /nfs/dbraw/zinc/12/53/92/298125392.db2.gz QDGHEOFKBYRRKG-BXKDBHETSA-N 1 2 301.306 2.619 20 5 DFBDLO C[C@@H]1C[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000454140671 298125537 /nfs/dbraw/zinc/12/55/37/298125537.db2.gz QDGHEOFKBYRRKG-SKDRFNHKSA-N 1 2 301.306 2.619 20 5 DFBDLO Cc1c(NC(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)cccc1[N+](=O)[O-] ZINC000454203318 298135450 /nfs/dbraw/zinc/13/54/50/298135450.db2.gz QSNMPEXPWWEZNY-CABZTGNLSA-N 1 2 315.333 2.927 20 5 DFBDLO O=[N+]([O-])c1cc(Br)ccc1N1CC(n2cc[nH+]c2)C1 ZINC000532343725 301146455 /nfs/dbraw/zinc/14/64/55/301146455.db2.gz YGYOPQQZSAEJOE-UHFFFAOYSA-N 1 2 323.150 2.615 20 5 DFBDLO Cc1cc[nH+]c(C)c1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000554518016 301740449 /nfs/dbraw/zinc/74/04/49/301740449.db2.gz KYRWPSYGYPAMEA-UHFFFAOYSA-N 1 2 300.318 2.928 20 5 DFBDLO C[N@@H+]1CCO[C@@H](CSc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000563047482 302031097 /nfs/dbraw/zinc/03/10/97/302031097.db2.gz FWOPLEWSXMLYTI-LLVKDONJSA-N 1 2 319.386 2.566 20 5 DFBDLO C[N@H+]1CCO[C@@H](CSc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000563047482 302031099 /nfs/dbraw/zinc/03/10/99/302031099.db2.gz FWOPLEWSXMLYTI-LLVKDONJSA-N 1 2 319.386 2.566 20 5 DFBDLO C[C@@H](CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C)n1cc[nH+]c1 ZINC000565367489 302221542 /nfs/dbraw/zinc/22/15/42/302221542.db2.gz KTUOQPZCULEZLF-RYUDHWBXSA-N 1 2 314.345 2.720 20 5 DFBDLO Cn1cc[nH+]c1[C@H]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000566413139 302284658 /nfs/dbraw/zinc/28/46/58/302284658.db2.gz BPLDIXRKCJQJFG-JTQLQIEISA-N 1 2 322.315 2.596 20 5 DFBDLO Cn1ccnc1[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000566413139 302284660 /nfs/dbraw/zinc/28/46/60/302284660.db2.gz BPLDIXRKCJQJFG-JTQLQIEISA-N 1 2 322.315 2.596 20 5 DFBDLO Cn1ccnc1[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000566413139 302284663 /nfs/dbraw/zinc/28/46/63/302284663.db2.gz BPLDIXRKCJQJFG-JTQLQIEISA-N 1 2 322.315 2.596 20 5 DFBDLO C[C@H](CNc1nc2c(cc1[N+](=O)[O-])CCCC2)Cn1cc[nH+]c1 ZINC000567751440 302386618 /nfs/dbraw/zinc/38/66/18/302386618.db2.gz CEYCERCAKHUQDZ-GFCCVEGCSA-N 1 2 315.377 2.813 20 5 DFBDLO C[C@@H]1[C@@H](C)CCN1c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000571746474 302631891 /nfs/dbraw/zinc/63/18/91/302631891.db2.gz CDMJRFOLDWBRKW-UONOGXRCSA-N 1 2 319.405 2.662 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000374066725 303019497 /nfs/dbraw/zinc/01/94/97/303019497.db2.gz PJNXALRLKVYPGZ-CQSZACIVSA-N 1 2 318.402 2.618 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000374066725 303019500 /nfs/dbraw/zinc/01/95/00/303019500.db2.gz PJNXALRLKVYPGZ-CQSZACIVSA-N 1 2 318.402 2.618 20 5 DFBDLO O=[N+]([O-])c1ccc(N2CCCC[C@H]2c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000267285739 304803092 /nfs/dbraw/zinc/80/30/92/304803092.db2.gz PWWQVXQGWUJDFO-LBPRGKRZSA-N 1 2 317.305 2.958 20 5 DFBDLO CCC1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000450064843 317056518 /nfs/dbraw/zinc/05/65/18/317056518.db2.gz FSDJRFSUWQIMRI-UHFFFAOYSA-N 1 2 314.345 2.701 20 5 DFBDLO CC[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450087576 317059004 /nfs/dbraw/zinc/05/90/04/317059004.db2.gz GCMYTZBHKOGLDM-LBPRGKRZSA-N 1 2 314.345 2.653 20 5 DFBDLO C[N@@H+]1CCO[C@@H](CNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000578396047 318257851 /nfs/dbraw/zinc/25/78/51/318257851.db2.gz PWMALMFANPKUDX-VIFPVBQESA-N 1 2 320.176 2.644 20 5 DFBDLO C[N@H+]1CCO[C@@H](CNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000578396047 318257853 /nfs/dbraw/zinc/25/78/53/318257853.db2.gz PWMALMFANPKUDX-VIFPVBQESA-N 1 2 320.176 2.644 20 5 DFBDLO Cc1nnc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000578410379 318258410 /nfs/dbraw/zinc/25/84/10/318258410.db2.gz RUHSVOJUQKHGCA-ZDUSSCGKSA-N 1 2 304.375 2.922 20 5 DFBDLO COc1cccc([N+](=O)[O-])c1NCc1cn2c([nH+]1)CCCC2 ZINC000580328668 323372025 /nfs/dbraw/zinc/37/20/25/323372025.db2.gz BLNHGMLUXSKRAP-UHFFFAOYSA-N 1 2 302.334 2.748 20 5 DFBDLO CC(C)c1[nH+]c2c(n1C)CCN(c1ncc([N+](=O)[O-])cc1F)C2 ZINC000582951371 323767142 /nfs/dbraw/zinc/76/71/42/323767142.db2.gz XZUUJMIVDNDSQH-UHFFFAOYSA-N 1 2 319.340 2.549 20 5 DFBDLO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000584528234 337356142 /nfs/dbraw/zinc/35/61/42/337356142.db2.gz IIMLWKRTQLLBIN-NWDGAFQWSA-N 1 2 307.350 2.537 20 5 DFBDLO CC[C@H]1C[N@H+](CCNc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000362669690 536151368 /nfs/dbraw/zinc/15/13/68/536151368.db2.gz UULZKIVCYZIGMC-LBPRGKRZSA-N 1 2 313.785 2.771 20 5 DFBDLO CC[C@H]1C[N@@H+](CCNc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000362669690 536151372 /nfs/dbraw/zinc/15/13/72/536151372.db2.gz UULZKIVCYZIGMC-LBPRGKRZSA-N 1 2 313.785 2.771 20 5 DFBDLO C[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286542386 219045247 /nfs/dbraw/zinc/04/52/47/219045247.db2.gz ULBCFWWQVOPTAR-YMTOWFKASA-N 1 2 300.305 2.608 20 5 DFBDLO C[C@@H](O)[C@H]1CCCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286542386 219045250 /nfs/dbraw/zinc/04/52/50/219045250.db2.gz ULBCFWWQVOPTAR-YMTOWFKASA-N 1 2 300.305 2.608 20 5 DFBDLO O=[N+]([O-])c1cnc(NCc2ccc(N3CCCC3)[nH+]c2)c(F)c1 ZINC000413051677 295671774 /nfs/dbraw/zinc/67/17/74/295671774.db2.gz XEOAOESSSVMGRI-UHFFFAOYSA-N 1 2 317.324 2.736 20 5 DFBDLO CC[C@H](CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)C(=O)OC ZINC000591974157 398366488 /nfs/dbraw/zinc/36/64/88/398366488.db2.gz KGXZYTAETMLVLE-SNVBAGLBSA-N 1 2 303.318 2.754 20 5 DFBDLO Cc1cccc(C(=O)NCCc2cn3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000011534290 398383067 /nfs/dbraw/zinc/38/30/67/398383067.db2.gz VPTRXYFRYNYPBD-UHFFFAOYSA-N 1 2 324.340 2.523 20 5 DFBDLO C[C@@H](Cc1cnn(C)c1)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413317274 295696880 /nfs/dbraw/zinc/69/68/80/295696880.db2.gz MOPPAZWCYAIPQH-NSHDSACASA-N 1 2 311.345 2.920 20 5 DFBDLO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000167718695 197713735 /nfs/dbraw/zinc/71/37/35/197713735.db2.gz RSHUBPAUEBDZEH-RISCZKNCSA-N 1 2 315.377 2.934 20 5 DFBDLO C[N@H+](Cc1ccco1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000015306598 398394722 /nfs/dbraw/zinc/39/47/22/398394722.db2.gz UYWLEQLZNHWOBE-UHFFFAOYSA-N 1 2 304.302 2.686 20 5 DFBDLO C[N@@H+](Cc1ccco1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000015306598 398394726 /nfs/dbraw/zinc/39/47/26/398394726.db2.gz UYWLEQLZNHWOBE-UHFFFAOYSA-N 1 2 304.302 2.686 20 5 DFBDLO CCC(=O)c1ccc(NCCc2cn(C)c[nH+]2)c([N+](=O)[O-])c1 ZINC000413375634 295702816 /nfs/dbraw/zinc/70/28/16/295702816.db2.gz ALAYGLWIINQWOJ-UHFFFAOYSA-N 1 2 302.334 2.576 20 5 DFBDLO CC[C@H]([NH2+]Cc1nc([C@@H](C)OC)no1)c1cccc([N+](=O)[O-])c1 ZINC000181532979 199313356 /nfs/dbraw/zinc/31/33/56/199313356.db2.gz IHTJHEVSTYWYDT-MFKMUULPSA-N 1 2 320.349 2.926 20 5 DFBDLO Cc1nc(CC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)no1 ZINC000272799869 210201949 /nfs/dbraw/zinc/20/19/49/210201949.db2.gz KZEWORXDTIQCJB-UHFFFAOYSA-N 1 2 310.741 2.614 20 5 DFBDLO Cc1nc(CC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)no1 ZINC000272799869 210201953 /nfs/dbraw/zinc/20/19/53/210201953.db2.gz KZEWORXDTIQCJB-UHFFFAOYSA-N 1 2 310.741 2.614 20 5 DFBDLO Cc1cc(NCC[N@H+]2C[C@H](C)OC[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000596432841 398410386 /nfs/dbraw/zinc/41/03/86/398410386.db2.gz TXKSEYNHIMIFLL-RYUDHWBXSA-N 1 2 311.357 2.563 20 5 DFBDLO Cc1cc(NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000596432841 398410391 /nfs/dbraw/zinc/41/03/91/398410391.db2.gz TXKSEYNHIMIFLL-RYUDHWBXSA-N 1 2 311.357 2.563 20 5 DFBDLO O=[N+]([O-])c1ccccc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC000022136298 398416356 /nfs/dbraw/zinc/41/63/56/398416356.db2.gz BBCJJDGIBNOGJU-UHFFFAOYSA-N 1 2 300.318 2.570 20 5 DFBDLO CN(C)c1cccnc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000289914938 282303415 /nfs/dbraw/zinc/30/34/15/282303415.db2.gz VAFVDGJDWMXQRI-UHFFFAOYSA-N 1 2 320.780 2.999 20 5 DFBDLO Cc1nc2[nH]ccc2c(N2CCc3ccc([N+](=O)[O-])cc3C2)[nH+]1 ZINC000088763557 398441585 /nfs/dbraw/zinc/44/15/85/398441585.db2.gz OAFOIMYNVJZTPE-UHFFFAOYSA-N 1 2 309.329 2.737 20 5 DFBDLO Cn1ccnc1[C@H]1[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000596580910 398453658 /nfs/dbraw/zinc/45/36/58/398453658.db2.gz MQIWGMLMKZYXIC-OAHLLOKOSA-N 1 2 314.389 2.954 20 5 DFBDLO Cn1ccnc1[C@H]1[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000596580910 398453661 /nfs/dbraw/zinc/45/36/61/398453661.db2.gz MQIWGMLMKZYXIC-OAHLLOKOSA-N 1 2 314.389 2.954 20 5 DFBDLO CC(C)(C)C[N@H+](CCO)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000586763967 398455237 /nfs/dbraw/zinc/45/52/37/398455237.db2.gz KOJWNNGOSGZJSR-UHFFFAOYSA-N 1 2 302.321 2.713 20 5 DFBDLO CC(C)(C)C[N@@H+](CCO)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000586763967 398455241 /nfs/dbraw/zinc/45/52/41/398455241.db2.gz KOJWNNGOSGZJSR-UHFFFAOYSA-N 1 2 302.321 2.713 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000089968332 398472827 /nfs/dbraw/zinc/47/28/27/398472827.db2.gz LRWMOSZFJIRWBQ-UHFFFAOYSA-N 1 2 322.258 2.623 20 5 DFBDLO Cc1c(C[NH+]2CCN(CC(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000051159082 282395474 /nfs/dbraw/zinc/39/54/74/282395474.db2.gz WCAGEDQYKAWSRM-UHFFFAOYSA-N 1 2 317.311 2.583 20 5 DFBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CCCC[C@@H]1c1c[nH+]cn1C ZINC000588817470 398509498 /nfs/dbraw/zinc/50/94/98/398509498.db2.gz XODHCYVVXFYVLC-GFCCVEGCSA-N 1 2 318.381 2.585 20 5 DFBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000596913588 398528791 /nfs/dbraw/zinc/52/87/91/398528791.db2.gz ZVGQWQJJAMHKPY-SNVBAGLBSA-N 1 2 317.349 2.773 20 5 DFBDLO CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)[C@@H](CC)CO1 ZINC000593060018 398535070 /nfs/dbraw/zinc/53/50/70/398535070.db2.gz VVBZGOISFMSQAQ-ZFWWWQNUSA-N 1 2 308.378 2.993 20 5 DFBDLO CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)[C@@H](CC)CO1 ZINC000593060018 398535073 /nfs/dbraw/zinc/53/50/73/398535073.db2.gz VVBZGOISFMSQAQ-ZFWWWQNUSA-N 1 2 308.378 2.993 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000589200200 398536662 /nfs/dbraw/zinc/53/66/62/398536662.db2.gz WHMIPTKDDIFKFL-UONOGXRCSA-N 1 2 320.389 2.939 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000589200200 398536666 /nfs/dbraw/zinc/53/66/66/398536666.db2.gz WHMIPTKDDIFKFL-UONOGXRCSA-N 1 2 320.389 2.939 20 5 DFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2nccnc2C1 ZINC000597235147 398599933 /nfs/dbraw/zinc/59/99/33/398599933.db2.gz DPRXGJNPYMZKPO-LCYFTJDESA-N 1 2 310.357 2.846 20 5 DFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCc2nccnc2C1 ZINC000597235147 398599937 /nfs/dbraw/zinc/59/99/37/398599937.db2.gz DPRXGJNPYMZKPO-LCYFTJDESA-N 1 2 310.357 2.846 20 5 DFBDLO CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1[nH]cc[nH+]1 ZINC000139425155 186022232 /nfs/dbraw/zinc/02/22/32/186022232.db2.gz BVTGPWRFOLVGMV-NSHDSACASA-N 1 2 308.725 2.852 20 5 DFBDLO O=[N+]([O-])c1ccc(N2CCc3[nH+]c[nH]c3C2)nc1-c1ccccc1 ZINC000590567602 398631810 /nfs/dbraw/zinc/63/18/10/398631810.db2.gz PHUAFLMCRJQIQH-UHFFFAOYSA-N 1 2 321.340 2.943 20 5 DFBDLO O=C(N[C@H]1CC=CCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172483087 198103448 /nfs/dbraw/zinc/10/34/48/198103448.db2.gz ZPRGDIDWEZYQSU-ZDUSSCGKSA-N 1 2 312.329 2.619 20 5 DFBDLO COc1ccc(OCC[N@H+](C)Cc2cscn2)c([N+](=O)[O-])c1 ZINC000173569412 198229178 /nfs/dbraw/zinc/22/91/78/198229178.db2.gz QMAQHPNMNQXTPR-UHFFFAOYSA-N 1 2 323.374 2.571 20 5 DFBDLO COc1ccc(OCC[N@@H+](C)Cc2cscn2)c([N+](=O)[O-])c1 ZINC000173569412 198229180 /nfs/dbraw/zinc/22/91/80/198229180.db2.gz QMAQHPNMNQXTPR-UHFFFAOYSA-N 1 2 323.374 2.571 20 5 DFBDLO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1c(F)cccc1F ZINC000174840525 198392069 /nfs/dbraw/zinc/39/20/69/198392069.db2.gz UJWABKQVLJPRHC-UHFFFAOYSA-N 1 2 310.304 2.592 20 5 DFBDLO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1c(F)cccc1F ZINC000174840525 198392070 /nfs/dbraw/zinc/39/20/70/198392070.db2.gz UJWABKQVLJPRHC-UHFFFAOYSA-N 1 2 310.304 2.592 20 5 DFBDLO CC(C)OC(=O)C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC000594040792 398728959 /nfs/dbraw/zinc/72/89/59/398728959.db2.gz HNWCSERAKKXJBK-AWEZNQCLSA-N 1 2 324.377 2.756 20 5 DFBDLO CC(C)OC(=O)C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC000594040793 398729027 /nfs/dbraw/zinc/72/90/27/398729027.db2.gz HNWCSERAKKXJBK-CQSZACIVSA-N 1 2 324.377 2.756 20 5 DFBDLO CC[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000594308455 398781668 /nfs/dbraw/zinc/78/16/68/398781668.db2.gz RBADZNQPQTVXNU-IAQYHMDHSA-N 1 2 316.361 2.764 20 5 DFBDLO CC[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000594308455 398781674 /nfs/dbraw/zinc/78/16/74/398781674.db2.gz RBADZNQPQTVXNU-IAQYHMDHSA-N 1 2 316.361 2.764 20 5 DFBDLO Cc1sc(C(=O)Nc2ccc[nH+]c2N(C)C)cc1[N+](=O)[O-] ZINC000049728901 398797581 /nfs/dbraw/zinc/79/75/81/398797581.db2.gz GPTLLWIMSILLIX-UHFFFAOYSA-N 1 2 306.347 2.678 20 5 DFBDLO COc1cccc([N+](=O)[O-])c1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000594548878 398819516 /nfs/dbraw/zinc/81/95/16/398819516.db2.gz SVYSOZMNCPAZJJ-LBPRGKRZSA-N 1 2 302.334 2.641 20 5 DFBDLO O=[N+]([O-])c1ccc(NCc2ccc(N3CCCCC3)[nH+]c2)nc1 ZINC000052314743 398838672 /nfs/dbraw/zinc/83/86/72/398838672.db2.gz UUHWFFNAKOQKLL-UHFFFAOYSA-N 1 2 313.361 2.987 20 5 DFBDLO C[C@H]([NH2+][C@@H](C)c1cscn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000594714438 398847414 /nfs/dbraw/zinc/84/74/14/398847414.db2.gz ZZDUTGOWQOJMQM-UWVGGRQHSA-N 1 2 320.374 2.729 20 5 DFBDLO O=C(NCc1cn2ccccc2[nH+]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000052660197 398848527 /nfs/dbraw/zinc/84/85/27/398848527.db2.gz HDMQJOXLPZGSIU-UHFFFAOYSA-N 1 2 311.301 2.564 20 5 DFBDLO CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153082803 283351774 /nfs/dbraw/zinc/35/17/74/283351774.db2.gz CTLJZNTXEHCFEH-OLZOCXBDSA-N 1 2 319.405 2.646 20 5 DFBDLO CCC[C@@H](C)NC(=O)[C@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153082803 283351778 /nfs/dbraw/zinc/35/17/78/283351778.db2.gz CTLJZNTXEHCFEH-OLZOCXBDSA-N 1 2 319.405 2.646 20 5 DFBDLO Cc1noc(C[N@H+]2Cc3ccccc3N(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000598797317 398874458 /nfs/dbraw/zinc/87/44/58/398874458.db2.gz LETWMVDFCWCCRW-NSHDSACASA-N 1 2 316.361 2.732 20 5 DFBDLO Cc1noc(C[N@@H+]2Cc3ccccc3N(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000598797317 398874463 /nfs/dbraw/zinc/87/44/63/398874463.db2.gz LETWMVDFCWCCRW-NSHDSACASA-N 1 2 316.361 2.732 20 5 DFBDLO C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)c1[nH]cc[nH+]1 ZINC000139915289 398886961 /nfs/dbraw/zinc/88/69/61/398886961.db2.gz BENFBPLWSCVDCK-ZCFIWIBFSA-N 1 2 312.127 2.649 20 5 DFBDLO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000181270513 316054807 /nfs/dbraw/zinc/05/48/07/316054807.db2.gz RJHVNUWUFCVNPP-SNVBAGLBSA-N 1 2 312.675 2.603 20 5 DFBDLO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000181270513 316054813 /nfs/dbraw/zinc/05/48/13/316054813.db2.gz RJHVNUWUFCVNPP-SNVBAGLBSA-N 1 2 312.675 2.603 20 5 DFBDLO NC(=O)[C@H]1CCC[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599047462 398912819 /nfs/dbraw/zinc/91/28/19/398912819.db2.gz XZZMWCZHVOSBCG-CMPLNLGQSA-N 1 2 314.345 2.599 20 5 DFBDLO COC(=O)C(C)(C)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599062811 398915163 /nfs/dbraw/zinc/91/51/63/398915163.db2.gz UEPXRDFECRLXAL-UHFFFAOYSA-N 1 2 303.318 2.754 20 5 DFBDLO C[C@@](O)(CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])C(F)(F)F ZINC000599063420 398915787 /nfs/dbraw/zinc/91/57/87/398915787.db2.gz BQECBRJGPQGCQB-GFCCVEGCSA-N 1 2 315.251 2.868 20 5 DFBDLO C[C@](O)(CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])C(F)(F)F ZINC000599063424 398915819 /nfs/dbraw/zinc/91/58/19/398915819.db2.gz BQECBRJGPQGCQB-LBPRGKRZSA-N 1 2 315.251 2.868 20 5 DFBDLO O=[N+]([O-])c1c(NCCCO[C@H]2CCOC2)ccc2c[nH+]ccc21 ZINC000599063461 398915859 /nfs/dbraw/zinc/91/58/59/398915859.db2.gz ZGCSPXPQEOEMMC-ZDUSSCGKSA-N 1 2 317.345 2.751 20 5 DFBDLO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCN(c2nccs2)CC1 ZINC000595291315 398917041 /nfs/dbraw/zinc/91/70/41/398917041.db2.gz JVMNZCCGOVGFQE-UHFFFAOYSA-N 1 2 322.365 2.513 20 5 DFBDLO Cc1nc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C)o1 ZINC000595292473 398916755 /nfs/dbraw/zinc/91/67/55/398916755.db2.gz YHNGRIQTXWGWKD-UHFFFAOYSA-N 1 2 316.361 2.522 20 5 DFBDLO CO[C@@H]1COCC[C@H]1CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599082331 398918061 /nfs/dbraw/zinc/91/80/61/398918061.db2.gz DKVBYQYJCYLTOD-SWLSCSKDSA-N 1 2 317.345 2.606 20 5 DFBDLO COCC[C@H](COC)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599084952 398918886 /nfs/dbraw/zinc/91/88/86/398918886.db2.gz GRWCLBNAVMIESK-GFCCVEGCSA-N 1 2 305.334 2.606 20 5 DFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000595311453 398921203 /nfs/dbraw/zinc/92/12/03/398921203.db2.gz KKCUTKHVYVCZNS-PWSUYJOCSA-N 1 2 322.258 2.622 20 5 DFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000595311453 398921204 /nfs/dbraw/zinc/92/12/04/398921204.db2.gz KKCUTKHVYVCZNS-PWSUYJOCSA-N 1 2 322.258 2.622 20 5 DFBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@@H](c2cc(C)cc[nH+]2)C1 ZINC000599103966 398921519 /nfs/dbraw/zinc/92/15/19/398921519.db2.gz XZSOGGQMIMVWNZ-CYBMUJFWSA-N 1 2 315.377 2.817 20 5 DFBDLO Cc1ccoc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000292392782 223045776 /nfs/dbraw/zinc/04/57/76/223045776.db2.gz SKVBPHGNGFXCHB-LBPRGKRZSA-N 1 2 317.345 2.955 20 5 DFBDLO Cc1ccoc1C[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000292392782 223045779 /nfs/dbraw/zinc/04/57/79/223045779.db2.gz SKVBPHGNGFXCHB-LBPRGKRZSA-N 1 2 317.345 2.955 20 5 DFBDLO COc1ccc([C@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])cc1OC ZINC000595415049 398934137 /nfs/dbraw/zinc/93/41/37/398934137.db2.gz QHZYHYFLXZGONB-VIFPVBQESA-N 1 2 321.333 2.759 20 5 DFBDLO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595412912 398934444 /nfs/dbraw/zinc/93/44/44/398934444.db2.gz OLUUBTDMXMTEOU-QMMMGPOBSA-N 1 2 309.297 2.890 20 5 DFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000595431861 398937190 /nfs/dbraw/zinc/93/71/90/398937190.db2.gz RPBULPGVRREFMF-LLVKDONJSA-N 1 2 304.268 2.938 20 5 DFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000595431861 398937194 /nfs/dbraw/zinc/93/71/94/398937194.db2.gz RPBULPGVRREFMF-LLVKDONJSA-N 1 2 304.268 2.938 20 5 DFBDLO Cc1noc(C[N@@H+]2CC[C@](F)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595478190 398946445 /nfs/dbraw/zinc/94/64/45/398946445.db2.gz YYSAVGPJCXQVGN-OAHLLOKOSA-N 1 2 305.309 2.962 20 5 DFBDLO Cc1noc(C[N@H+]2CC[C@](F)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595478190 398946449 /nfs/dbraw/zinc/94/64/49/398946449.db2.gz YYSAVGPJCXQVGN-OAHLLOKOSA-N 1 2 305.309 2.962 20 5 DFBDLO C[C@H]([NH2+]Cc1csc(N(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000157003729 398952656 /nfs/dbraw/zinc/95/26/56/398952656.db2.gz BIMYJZZNPDQVBS-JTQLQIEISA-N 1 2 306.391 2.968 20 5 DFBDLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)n1 ZINC000595521025 398955812 /nfs/dbraw/zinc/95/58/12/398955812.db2.gz VWXAIGPMROZMQH-UHFFFAOYSA-N 1 2 320.324 2.563 20 5 DFBDLO Nc1nc(N2CCc3c(cccc3[N+](=O)[O-])C2)[nH+]c2ccccc12 ZINC000301912027 283689253 /nfs/dbraw/zinc/68/92/53/283689253.db2.gz SXXSWVIXRSDYQH-UHFFFAOYSA-N 1 2 321.340 2.683 20 5 DFBDLO COC(=O)[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000613540949 399015648 /nfs/dbraw/zinc/01/56/48/399015648.db2.gz IOZJMUWDDGVFBJ-LEJCZOIISA-N 1 2 306.362 2.785 20 5 DFBDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000092095920 193156269 /nfs/dbraw/zinc/15/62/69/193156269.db2.gz SWGFTQHJJFQIAS-HYVNUMGLSA-N 1 2 320.389 2.672 20 5 DFBDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000092095920 193156271 /nfs/dbraw/zinc/15/62/71/193156271.db2.gz SWGFTQHJJFQIAS-HYVNUMGLSA-N 1 2 320.389 2.672 20 5 DFBDLO O=[N+]([O-])c1ccc(OCCSCCCn2cc[nH+]c2)cc1 ZINC000600567720 399084462 /nfs/dbraw/zinc/08/44/62/399084462.db2.gz CDVULESGOCCFBH-UHFFFAOYSA-N 1 2 307.375 2.994 20 5 DFBDLO CCOc1nnc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000282445918 217000705 /nfs/dbraw/zinc/00/07/05/217000705.db2.gz LLDBSBBRWQRCHC-UHFFFAOYSA-N 1 2 322.390 2.520 20 5 DFBDLO CCOc1nnc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000282445918 217000710 /nfs/dbraw/zinc/00/07/10/217000710.db2.gz LLDBSBBRWQRCHC-UHFFFAOYSA-N 1 2 322.390 2.520 20 5 DFBDLO COc1ccc([N+](=O)[O-])c(NCc2ccc(N(C)C)[nH+]c2)c1 ZINC000264663231 204063051 /nfs/dbraw/zinc/06/30/51/204063051.db2.gz ROBMBNHMZLCGJW-UHFFFAOYSA-N 1 2 302.334 2.677 20 5 DFBDLO Cc1nn(C)c(Nc2ccc(N3CCCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000265009303 204340001 /nfs/dbraw/zinc/34/00/01/204340001.db2.gz ZXWZRXIZVSTIAL-UHFFFAOYSA-N 1 2 316.365 2.766 20 5 DFBDLO Cc1cc(NC[C@H](C(C)C)[NH+]2CCOCC2)c([N+](=O)[O-])s1 ZINC000596068510 399162381 /nfs/dbraw/zinc/16/23/81/399162381.db2.gz XWPXXCFARQGSRP-CYBMUJFWSA-N 1 2 313.423 2.733 20 5 DFBDLO Cc1nnc([C@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000282569494 217096824 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C[C@](CO)([NH2+]Cc1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000601148441 399240667 /nfs/dbraw/zinc/24/06/67/399240667.db2.gz BTOQLOZXKHMWKW-MRXNPFEDSA-N 1 2 322.311 2.870 20 5 DFBDLO Cc1cc[nH+]c([C@@H]2CCN(c3ncc(F)cc3[N+](=O)[O-])C2)c1 ZINC000601187115 399250449 /nfs/dbraw/zinc/25/04/49/399250449.db2.gz OINQWNZUJBWSRS-LLVKDONJSA-N 1 2 302.309 2.826 20 5 DFBDLO CC(C)(CNc1c2ccccc2ncc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000601198413 399253294 /nfs/dbraw/zinc/25/32/94/399253294.db2.gz XAJBDWRMOITPIP-UHFFFAOYSA-N 1 2 311.345 2.609 20 5 DFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@]23CCOC3)c1 ZINC000421030571 296228787 /nfs/dbraw/zinc/22/87/87/296228787.db2.gz YQBJGCKHIRKROH-CYBMUJFWSA-N 1 2 316.279 2.978 20 5 DFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@]23CCOC3)c1 ZINC000421030571 296228789 /nfs/dbraw/zinc/22/87/89/296228789.db2.gz YQBJGCKHIRKROH-CYBMUJFWSA-N 1 2 316.279 2.978 20 5 DFBDLO CC[C@@]1(O)CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000601232938 399260406 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C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCC(F)(F)F ZINC000104678534 194025081 /nfs/dbraw/zinc/02/50/81/194025081.db2.gz BZJHSZOXZNXPQL-VIFPVBQESA-N 1 2 319.283 2.806 20 5 DFBDLO COc1cc(N2CCC[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000610276366 399352729 /nfs/dbraw/zinc/35/27/29/399352729.db2.gz QVEXVKITRKWNDS-ZDUSSCGKSA-N 1 2 302.334 2.641 20 5 DFBDLO O=[N+]([O-])c1sccc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000610278034 399352838 /nfs/dbraw/zinc/35/28/38/399352838.db2.gz CVAFRUDZJQKZKD-UHFFFAOYSA-N 1 2 319.386 2.684 20 5 DFBDLO Cn1cc[nH+]c1[C@@H](Nc1ncc([N+](=O)[O-])s1)c1ccccc1 ZINC000619694402 399378659 /nfs/dbraw/zinc/37/86/59/399378659.db2.gz GNOWJIOYNNDLHJ-LBPRGKRZSA-N 1 2 315.358 2.986 20 5 DFBDLO O=C(C[N@@H+]1C[C@@H]2CCC[C@@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610585193 399383757 /nfs/dbraw/zinc/38/37/57/399383757.db2.gz FKSTWTBHFOXQHA-CABZTGNLSA-N 1 2 309.753 2.671 20 5 DFBDLO O=C(C[N@H+]1C[C@@H]2CCC[C@@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610585193 399383761 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DFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(C2CCC2)no1 ZINC000602832104 399593864 /nfs/dbraw/zinc/59/38/64/399593864.db2.gz SEZZNXTVJKGGGM-UHFFFAOYSA-N 1 2 316.361 2.920 20 5 DFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(C2CCC2)no1 ZINC000602832104 399593868 /nfs/dbraw/zinc/59/38/68/399593868.db2.gz SEZZNXTVJKGGGM-UHFFFAOYSA-N 1 2 316.361 2.920 20 5 DFBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc2[nH+]ccn2c1 ZINC000348019260 285301424 /nfs/dbraw/zinc/30/14/24/285301424.db2.gz SXBGAQZZTRTQHA-UHFFFAOYSA-N 1 2 300.249 2.634 20 5 DFBDLO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1nc(C(C)(C)C)cs1 ZINC000348046582 285315919 /nfs/dbraw/zinc/31/59/19/285315919.db2.gz SDQKROCFYGHILS-SECBINFHSA-N 1 2 323.422 2.933 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cs1 ZINC000289825693 221251354 /nfs/dbraw/zinc/25/13/54/221251354.db2.gz JLUQHMQBEOTTCE-LLVKDONJSA-N 1 2 312.782 2.953 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cs1 ZINC000289825693 221251355 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O=[N+]([O-])c1ccc(C[N@@H+](CCCO)Cc2ccccn2)c(F)c1 ZINC000287806340 131301410 /nfs/dbraw/zinc/30/14/10/131301410.db2.gz OVJHCIQNTUHHLY-UHFFFAOYSA-N 1 2 319.336 2.514 20 5 DFBDLO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccon1 ZINC000349244053 285814729 /nfs/dbraw/zinc/81/47/29/285814729.db2.gz NQDXVYBQAZDJEH-MRVPVSSYSA-N 1 2 324.724 2.526 20 5 DFBDLO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccon2)cccc1[N+](=O)[O-] ZINC000349254530 285818426 /nfs/dbraw/zinc/81/84/26/285818426.db2.gz YTGDFMFRGCYAEG-QWRGUYRKSA-N 1 2 318.333 2.569 20 5 DFBDLO C[NH+](C)Cc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000349320444 285831486 /nfs/dbraw/zinc/83/14/86/285831486.db2.gz KLDOJHBILRWDPX-UHFFFAOYSA-N 1 2 315.329 2.614 20 5 DFBDLO Cc1ccncc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000355004864 147216102 /nfs/dbraw/zinc/21/61/02/147216102.db2.gz WGSQECQONRWMSI-UHFFFAOYSA-N 1 2 323.312 2.736 20 5 DFBDLO Cc1nn(Cc2cn3ccccc3[nH+]2)c2ccc([N+](=O)[O-])cc12 ZINC000355465292 147326379 /nfs/dbraw/zinc/32/63/79/147326379.db2.gz WHRPVRLUDUIPCB-UHFFFAOYSA-N 1 2 307.313 2.949 20 5 DFBDLO Cc1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cn2cc[nH+]c12 ZINC000355487508 147333792 /nfs/dbraw/zinc/33/37/92/147333792.db2.gz UEDADWUNOUBXCE-UHFFFAOYSA-N 1 2 312.285 2.509 20 5 DFBDLO Cn1cc([C@H]2CCC[N@@H+]2Cc2c(F)cccc2[N+](=O)[O-])cn1 ZINC000350700271 286075252 /nfs/dbraw/zinc/07/52/52/286075252.db2.gz MGFHSNYLUMRANM-CQSZACIVSA-N 1 2 304.325 2.805 20 5 DFBDLO Cn1cc([C@H]2CCC[N@H+]2Cc2c(F)cccc2[N+](=O)[O-])cn1 ZINC000350700271 286075255 /nfs/dbraw/zinc/07/52/55/286075255.db2.gz MGFHSNYLUMRANM-CQSZACIVSA-N 1 2 304.325 2.805 20 5 DFBDLO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000371443591 150047773 /nfs/dbraw/zinc/04/77/73/150047773.db2.gz RMTWQXNRVMZGFD-UZYOAWRESA-N 1 2 312.329 2.695 20 5 DFBDLO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000371580316 150067549 /nfs/dbraw/zinc/06/75/49/150067549.db2.gz NKNJLNHPYGRRSJ-CYBMUJFWSA-N 1 2 322.361 2.521 20 5 DFBDLO COC(=O)[C@H]1CCCCC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000371580316 150067551 /nfs/dbraw/zinc/06/75/51/150067551.db2.gz NKNJLNHPYGRRSJ-CYBMUJFWSA-N 1 2 322.361 2.521 20 5 DFBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000374198858 150320221 /nfs/dbraw/zinc/32/02/21/150320221.db2.gz TZUZFABDLYHZGD-UHFFFAOYSA-N 1 2 315.333 2.729 20 5 DFBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374198858 150320224 /nfs/dbraw/zinc/32/02/24/150320224.db2.gz TZUZFABDLYHZGD-UHFFFAOYSA-N 1 2 315.333 2.729 20 5 DFBDLO COc1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000351971040 286257716 /nfs/dbraw/zinc/25/77/16/286257716.db2.gz NOEPLMNCFUAJOQ-DZGCQCFKSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1cc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000351971040 286257717 /nfs/dbraw/zinc/25/77/17/286257717.db2.gz NOEPLMNCFUAJOQ-DZGCQCFKSA-N 1 2 306.362 2.747 20 5 DFBDLO Cc1ccn(Cc2ccc(-n3cc[nH+]c3)cc2C)c(=O)c1[N+](=O)[O-] ZINC000427806561 296668497 /nfs/dbraw/zinc/66/84/97/296668497.db2.gz KRWMMVNCZMJYEN-UHFFFAOYSA-N 1 2 324.340 2.607 20 5 DFBDLO CC(C)[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1nncn1C ZINC000352462989 286380573 /nfs/dbraw/zinc/38/05/73/286380573.db2.gz HHKMLUVELRMTAP-CYBMUJFWSA-N 1 2 323.784 2.864 20 5 DFBDLO Cc1c[nH]c(C(C)(C)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000493760879 299823413 /nfs/dbraw/zinc/82/34/13/299823413.db2.gz VBDYTAMBECHBLI-FPLPWBNLSA-N 1 2 314.345 2.691 20 5 DFBDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000301985692 287155384 /nfs/dbraw/zinc/15/53/84/287155384.db2.gz CPSLNAJBIAXUBU-LBPRGKRZSA-N 1 2 318.402 2.935 20 5 DFBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCCCC1 ZINC000130831557 196114478 /nfs/dbraw/zinc/11/44/78/196114478.db2.gz TWKJKBAEXCUEAU-UHFFFAOYSA-N 1 2 317.389 2.572 20 5 DFBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CCCCC1 ZINC000130831557 196114480 /nfs/dbraw/zinc/11/44/80/196114480.db2.gz TWKJKBAEXCUEAU-UHFFFAOYSA-N 1 2 317.389 2.572 20 5 DFBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCCC3(C2)OCCO3)c1 ZINC000133742112 196333058 /nfs/dbraw/zinc/33/30/58/196333058.db2.gz QLKIGXNCUTYJIW-UHFFFAOYSA-N 1 2 312.753 2.587 20 5 DFBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCCC3(C2)OCCO3)c1 ZINC000133742112 196333060 /nfs/dbraw/zinc/33/30/60/196333060.db2.gz QLKIGXNCUTYJIW-UHFFFAOYSA-N 1 2 312.753 2.587 20 5 DFBDLO Cc1nc([C@](C)([NH2+]Cc2ccc([N+](=O)[O-])cc2)C2CC2)no1 ZINC000433290589 296904653 /nfs/dbraw/zinc/90/46/53/296904653.db2.gz TUWSCSCFNXFTEA-OAHLLOKOSA-N 1 2 302.334 2.701 20 5 DFBDLO COc1ccc(CNc2[nH]c(C(F)(F)F)c[nH+]2)cc1[N+](=O)[O-] ZINC000290941632 222016227 /nfs/dbraw/zinc/01/62/27/222016227.db2.gz LNPZPHJBPSECMI-UHFFFAOYSA-N 1 2 316.239 2.957 20 5 DFBDLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000069070497 425928191 /nfs/dbraw/zinc/92/81/91/425928191.db2.gz CKIVBCBOEISOAP-NSHDSACASA-N 1 2 303.318 2.819 20 5 DFBDLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000069070497 425928193 /nfs/dbraw/zinc/92/81/93/425928193.db2.gz CKIVBCBOEISOAP-NSHDSACASA-N 1 2 303.318 2.819 20 5 DFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccco1 ZINC000008197669 425663475 /nfs/dbraw/zinc/66/34/75/425663475.db2.gz XLHWNZXOECZTJW-LLVKDONJSA-N 1 2 303.318 2.647 20 5 DFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccco1 ZINC000008197669 425663478 /nfs/dbraw/zinc/66/34/78/425663478.db2.gz XLHWNZXOECZTJW-LLVKDONJSA-N 1 2 303.318 2.647 20 5 DFBDLO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCN(c2ccccn2)CC1 ZINC000033299990 425841926 /nfs/dbraw/zinc/84/19/26/425841926.db2.gz DKBDJGBSNZSUFW-ALCCZGGFSA-N 1 2 324.384 2.825 20 5 DFBDLO CCOC(=O)[C@@H](C)[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000191712214 268011525 /nfs/dbraw/zinc/01/15/25/268011525.db2.gz KTGWYMPSDWLQLJ-GFCCVEGCSA-N 1 2 306.362 2.819 20 5 DFBDLO CCOC(=O)[C@@H](C)[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000191712214 268011529 /nfs/dbraw/zinc/01/15/29/268011529.db2.gz KTGWYMPSDWLQLJ-GFCCVEGCSA-N 1 2 306.362 2.819 20 5 DFBDLO Cn1ncc2c1nc[nH+]c2SCc1csc([N+](=O)[O-])c1 ZINC000047172131 425868539 /nfs/dbraw/zinc/86/85/39/425868539.db2.gz PPTVEXHOWCZJKY-UHFFFAOYSA-N 1 2 307.360 2.625 20 5 DFBDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC000314649826 268341816 /nfs/dbraw/zinc/34/18/16/268341816.db2.gz MUUWEGYOHZDOOH-SECBINFHSA-N 1 2 321.358 2.689 20 5 DFBDLO CC[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000317453386 268345230 /nfs/dbraw/zinc/34/52/30/268345230.db2.gz ZOOSDNZAROFESP-OQHXTRMZSA-N 1 2 300.318 2.599 20 5 DFBDLO CCc1nnc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)o1 ZINC000125764551 425989274 /nfs/dbraw/zinc/98/92/74/425989274.db2.gz LCUZKFWMXDZFOZ-UHFFFAOYSA-N 1 2 304.350 2.951 20 5 DFBDLO CCc1nnc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)o1 ZINC000125764551 425989275 /nfs/dbraw/zinc/98/92/75/425989275.db2.gz LCUZKFWMXDZFOZ-UHFFFAOYSA-N 1 2 304.350 2.951 20 5 DFBDLO C[C@@H]([NH2+][C@@H](C)c1nccs1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000106242281 425971910 /nfs/dbraw/zinc/97/19/10/425971910.db2.gz ZZNVAAIQVHMITB-ZJUUUORDSA-N 1 2 320.374 2.729 20 5 DFBDLO Cc1csc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000109001879 426026707 /nfs/dbraw/zinc/02/67/07/426026707.db2.gz BSEKWFWRYHFHMP-UHFFFAOYSA-N 1 2 318.402 2.682 20 5 DFBDLO C[C@@H]1CC[C@H](C)N1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000161569648 426029743 /nfs/dbraw/zinc/02/97/43/426029743.db2.gz HSZVOKCTTRLMGO-TXEJJXNPSA-N 1 2 314.345 2.794 20 5 DFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000126818296 426038877 /nfs/dbraw/zinc/03/88/77/426038877.db2.gz YGPSEFGCAGZAON-QGZVFWFLSA-N 1 2 314.341 2.874 20 5 DFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)c1 ZINC000126818296 426038880 /nfs/dbraw/zinc/03/88/80/426038880.db2.gz YGPSEFGCAGZAON-QGZVFWFLSA-N 1 2 314.341 2.874 20 5 DFBDLO COc1cc(C[N@H+](C)Cc2ccco2)c([N+](=O)[O-])cc1OC ZINC000162156621 426054064 /nfs/dbraw/zinc/05/40/64/426054064.db2.gz SMBWGMJKKIIBOX-UHFFFAOYSA-N 1 2 306.318 2.837 20 5 DFBDLO COc1cc(C[N@@H+](C)Cc2ccco2)c([N+](=O)[O-])cc1OC ZINC000162156621 426054065 /nfs/dbraw/zinc/05/40/65/426054065.db2.gz SMBWGMJKKIIBOX-UHFFFAOYSA-N 1 2 306.318 2.837 20 5 DFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCSCC2)c1 ZINC000126239383 426011482 /nfs/dbraw/zinc/01/14/82/426011482.db2.gz WPRUUHKURXKLAO-UHFFFAOYSA-N 1 2 304.318 2.745 20 5 DFBDLO Cc1csc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000170999972 426163507 /nfs/dbraw/zinc/16/35/07/426163507.db2.gz JCPOEIFZLLWLBR-UHFFFAOYSA-N 1 2 318.402 2.682 20 5 DFBDLO Cc1ccnc(N2CC[C@H](CNc3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000115516608 426166728 /nfs/dbraw/zinc/16/67/28/426166728.db2.gz COJNUTNLINUKMC-CYBMUJFWSA-N 1 2 313.361 2.632 20 5 DFBDLO CN(C)c1[nH+]cccc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087154598 426266641 /nfs/dbraw/zinc/26/66/41/426266641.db2.gz BNIITAXFTNKZDZ-UHFFFAOYSA-N 1 2 314.345 2.627 20 5 DFBDLO O=C(Nc1cccc(O)c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000121184031 426323113 /nfs/dbraw/zinc/32/31/13/426323113.db2.gz NPYSRBBDKIMTCC-UHFFFAOYSA-N 1 2 324.296 2.738 20 5 DFBDLO CN(CCCn1cc[nH+]c1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000122605636 426383907 /nfs/dbraw/zinc/38/39/07/426383907.db2.gz QEBCJYOQGXVBIE-UHFFFAOYSA-N 1 2 322.752 2.607 20 5 DFBDLO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC(C)(C)O1 ZINC000177023982 426434878 /nfs/dbraw/zinc/43/48/78/426434878.db2.gz YHHJCWACTVRROZ-JTQLQIEISA-N 1 2 305.334 2.735 20 5 DFBDLO C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC(C)(C)O1 ZINC000177023982 426434882 /nfs/dbraw/zinc/43/48/82/426434882.db2.gz YHHJCWACTVRROZ-JTQLQIEISA-N 1 2 305.334 2.735 20 5 DFBDLO CN(CCCn1cc[nH+]c1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000154776676 426453829 /nfs/dbraw/zinc/45/38/29/426453829.db2.gz ZCNIAYFWHBZVQW-UHFFFAOYSA-N 1 2 322.752 2.607 20 5 DFBDLO O=[N+]([O-])c1ccc(CN[C@@H](c2[nH]cc[nH+]2)c2cccnc2)cc1 ZINC000195065626 426499613 /nfs/dbraw/zinc/49/96/13/426499613.db2.gz WLYXIRYLLPLCBT-OAHLLOKOSA-N 1 2 309.329 2.592 20 5 DFBDLO Cc1cnn(C)c1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000289064763 426577156 /nfs/dbraw/zinc/57/71/56/426577156.db2.gz JJQXQFLQDSZDHO-UHFFFAOYSA-N 1 2 300.362 2.801 20 5 DFBDLO Cc1cnn(C)c1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000289064763 426577161 /nfs/dbraw/zinc/57/71/61/426577161.db2.gz JJQXQFLQDSZDHO-UHFFFAOYSA-N 1 2 300.362 2.801 20 5 DFBDLO C[C@@H](N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000178277983 426597503 /nfs/dbraw/zinc/59/75/03/426597503.db2.gz DTYTTZIDCVATAC-LLVKDONJSA-N 1 2 317.311 2.663 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@@H](C)[S@]1=O ZINC000289258378 426614526 /nfs/dbraw/zinc/61/45/26/426614526.db2.gz FOJUEZUCRDWXAK-RWCMSOCESA-N 1 2 310.419 2.635 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@@H](C)[S@]1=O ZINC000289258378 426614531 /nfs/dbraw/zinc/61/45/31/426614531.db2.gz FOJUEZUCRDWXAK-RWCMSOCESA-N 1 2 310.419 2.635 20 5 DFBDLO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000178523440 426648841 /nfs/dbraw/zinc/64/88/41/426648841.db2.gz PDILPDZKXLAEBB-LLVKDONJSA-N 1 2 312.391 2.820 20 5 DFBDLO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000178523440 426648845 /nfs/dbraw/zinc/64/88/45/426648845.db2.gz PDILPDZKXLAEBB-LLVKDONJSA-N 1 2 312.391 2.820 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1nnc(C)s1 ZINC000273607254 426696428 /nfs/dbraw/zinc/69/64/28/426696428.db2.gz MUCDEUCDPUQYGZ-MRVPVSSYSA-N 1 2 308.363 2.614 20 5 DFBDLO COc1cccc(NCc2cn3c([nH+]2)CCCC3)c1[N+](=O)[O-] ZINC000274702857 426819553 /nfs/dbraw/zinc/81/95/53/426819553.db2.gz QPPIKMYANPROCV-UHFFFAOYSA-N 1 2 302.334 2.748 20 5 DFBDLO CCC[C@H]([NH2+][C@@H](C)c1ncn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000275692709 426897874 /nfs/dbraw/zinc/89/78/74/426897874.db2.gz JRDFDEIOGXJBAX-FZMZJTMJSA-N 1 2 303.366 2.915 20 5 DFBDLO Cc1ccc(NC(=O)NCCc2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000268039542 426898038 /nfs/dbraw/zinc/89/80/38/426898038.db2.gz SEMPPALHTRKAIC-UHFFFAOYSA-N 1 2 314.345 2.971 20 5 DFBDLO CCC[C@@H]([NH2+][C@@H](C)c1ncn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000275692715 426898343 /nfs/dbraw/zinc/89/83/43/426898343.db2.gz JRDFDEIOGXJBAX-SMDDNHRTSA-N 1 2 303.366 2.915 20 5 DFBDLO CCC[C@@H]([NH2+][C@H](C)c1ncn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000275692706 426899773 /nfs/dbraw/zinc/89/97/73/426899773.db2.gz JRDFDEIOGXJBAX-BXUZGUMPSA-N 1 2 303.366 2.915 20 5 DFBDLO Cc1nc2[nH]ccc2c(N(C)CCc2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000337818441 426982265 /nfs/dbraw/zinc/98/22/65/426982265.db2.gz PPQJPEFPPZQGJS-UHFFFAOYSA-N 1 2 311.345 2.853 20 5 DFBDLO C[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000248344172 426990896 /nfs/dbraw/zinc/99/08/96/426990896.db2.gz LGFFHACETGFWMS-UWVGGRQHSA-N 1 2 311.769 2.917 20 5 DFBDLO C[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000248344172 426990903 /nfs/dbraw/zinc/99/09/03/426990903.db2.gz LGFFHACETGFWMS-UWVGGRQHSA-N 1 2 311.769 2.917 20 5 DFBDLO O=[N+]([O-])c1ccc(CN2CC[NH+](Cc3ccco3)CC2)cc1F ZINC000283336907 426998324 /nfs/dbraw/zinc/99/83/24/426998324.db2.gz ANZKNHFMLPEPQT-UHFFFAOYSA-N 1 2 319.336 2.645 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+](CCO)Cc2cccnc2)c(Cl)c1 ZINC000182234966 427035909 /nfs/dbraw/zinc/03/59/09/427035909.db2.gz NDQRCYTVKALXJW-UHFFFAOYSA-N 1 2 321.764 2.638 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+](CCO)Cc2cccnc2)c(Cl)c1 ZINC000182234966 427035911 /nfs/dbraw/zinc/03/59/11/427035911.db2.gz NDQRCYTVKALXJW-UHFFFAOYSA-N 1 2 321.764 2.638 20 5 DFBDLO Cc1cccc(C[NH+]2CCN(c3ncc([N+](=O)[O-])s3)CC2)c1 ZINC000190304270 427069976 /nfs/dbraw/zinc/06/99/76/427069976.db2.gz LNPSYGSDFJUWJM-UHFFFAOYSA-N 1 2 318.402 2.682 20 5 DFBDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000276458051 427073309 /nfs/dbraw/zinc/07/33/09/427073309.db2.gz QHBBFLLGGRWQDX-DGFSRKRXSA-N 1 2 322.336 2.507 20 5 DFBDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000276458051 427073314 /nfs/dbraw/zinc/07/33/14/427073314.db2.gz QHBBFLLGGRWQDX-DGFSRKRXSA-N 1 2 322.336 2.507 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](Oc3ccccn3)C2)cs1 ZINC000268689794 427089997 /nfs/dbraw/zinc/08/99/97/427089997.db2.gz OOPFVZOPKDWAPU-LBPRGKRZSA-N 1 2 305.359 2.705 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](Oc3ccccn3)C2)cs1 ZINC000268689794 427090003 /nfs/dbraw/zinc/09/00/03/427090003.db2.gz OOPFVZOPKDWAPU-LBPRGKRZSA-N 1 2 305.359 2.705 20 5 DFBDLO O=[N+]([O-])c1cc2ccccc2nc1SCC[NH+]1CCOCC1 ZINC000276549002 427099794 /nfs/dbraw/zinc/09/97/94/427099794.db2.gz FDKPDMOGYCCSGA-UHFFFAOYSA-N 1 2 319.386 2.567 20 5 DFBDLO COC[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000284023345 427117175 /nfs/dbraw/zinc/11/71/75/427117175.db2.gz KXKNCCOWLATTBL-SNVBAGLBSA-N 1 2 300.305 2.731 20 5 DFBDLO COC[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000284023345 427117179 /nfs/dbraw/zinc/11/71/79/427117179.db2.gz KXKNCCOWLATTBL-SNVBAGLBSA-N 1 2 300.305 2.731 20 5 DFBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCO[C@@H](c3ccco3)C2)c1 ZINC000121110959 271021985 /nfs/dbraw/zinc/02/19/85/271021985.db2.gz ARKVEQXRNRORIX-MRXNPFEDSA-N 1 2 318.329 2.640 20 5 DFBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCO[C@@H](c3ccco3)C2)c1 ZINC000121110959 271021988 /nfs/dbraw/zinc/02/19/88/271021988.db2.gz ARKVEQXRNRORIX-MRXNPFEDSA-N 1 2 318.329 2.640 20 5 DFBDLO COCc1noc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000183096990 427199575 /nfs/dbraw/zinc/19/95/75/427199575.db2.gz MGMYCSFPKZWBMX-GHMZBOCLSA-N 1 2 320.349 2.844 20 5 DFBDLO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccncc1F ZINC000338374277 427285518 /nfs/dbraw/zinc/28/55/18/427285518.db2.gz UVTSUSPYWWPKQZ-SECBINFHSA-N 1 2 315.308 2.856 20 5 DFBDLO O=[N+]([O-])c1c(F)cccc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000269835885 427285645 /nfs/dbraw/zinc/28/56/45/427285645.db2.gz AOTSJIPFCVKDOZ-NSHDSACASA-N 1 2 302.309 2.820 20 5 DFBDLO Cc1noc([C@H]2CCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])n1 ZINC000285561341 427274075 /nfs/dbraw/zinc/27/40/75/427274075.db2.gz HGVMYKVFWISMOX-CYBMUJFWSA-N 1 2 318.333 2.502 20 5 DFBDLO Cc1noc([C@H]2CCC[N@H+]2CCOc2ccccc2[N+](=O)[O-])n1 ZINC000285561341 427274081 /nfs/dbraw/zinc/27/40/81/427274081.db2.gz HGVMYKVFWISMOX-CYBMUJFWSA-N 1 2 318.333 2.502 20 5 DFBDLO CCN1CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1=O ZINC000191546918 427376834 /nfs/dbraw/zinc/37/68/34/427376834.db2.gz SCUNUDUYNGNHCP-UHFFFAOYSA-N 1 2 319.405 2.772 20 5 DFBDLO CCN1CCC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1=O ZINC000191546918 427376835 /nfs/dbraw/zinc/37/68/35/427376835.db2.gz SCUNUDUYNGNHCP-UHFFFAOYSA-N 1 2 319.405 2.772 20 5 DFBDLO CC(C)c1nc(N(C)C)nc(NCc2ccccc2[N+](=O)[O-])[nH+]1 ZINC000271152594 427419053 /nfs/dbraw/zinc/41/90/53/427419053.db2.gz HJHLAUOPVNABHU-UHFFFAOYSA-N 1 2 316.365 2.581 20 5 DFBDLO CC(C)c1nc(NCc2ccccc2[N+](=O)[O-])nc(N(C)C)[nH+]1 ZINC000271152594 427419059 /nfs/dbraw/zinc/41/90/59/427419059.db2.gz HJHLAUOPVNABHU-UHFFFAOYSA-N 1 2 316.365 2.581 20 5 DFBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2ncc[nH]2)cc(C(F)(F)F)c1 ZINC000278871844 427484672 /nfs/dbraw/zinc/48/46/72/427484672.db2.gz YTCNOKDXUOTZSK-UHFFFAOYSA-N 1 2 300.240 2.627 20 5 DFBDLO Cc1cc(NCCC[C@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000278971281 427520065 /nfs/dbraw/zinc/52/00/65/427520065.db2.gz ZKBIIRHZEMCPSX-LBPRGKRZSA-N 1 2 316.361 2.933 20 5 DFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000332195717 427539442 /nfs/dbraw/zinc/53/94/42/427539442.db2.gz ALDAWZPLEJDWFQ-LAJNKCICSA-N 1 2 310.419 2.889 20 5 DFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000332195717 427539449 /nfs/dbraw/zinc/53/94/49/427539449.db2.gz ALDAWZPLEJDWFQ-LAJNKCICSA-N 1 2 310.419 2.889 20 5 DFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000332195719 427540146 /nfs/dbraw/zinc/54/01/46/427540146.db2.gz ALDAWZPLEJDWFQ-XUSGNXJCSA-N 1 2 310.419 2.889 20 5 DFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000332195719 427540152 /nfs/dbraw/zinc/54/01/52/427540152.db2.gz ALDAWZPLEJDWFQ-XUSGNXJCSA-N 1 2 310.419 2.889 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000332461141 427618959 /nfs/dbraw/zinc/61/89/59/427618959.db2.gz QDPCGQZBKWQRBM-UHFFFAOYSA-N 1 2 314.345 2.646 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000332461141 427618966 /nfs/dbraw/zinc/61/89/66/427618966.db2.gz QDPCGQZBKWQRBM-UHFFFAOYSA-N 1 2 314.345 2.646 20 5 DFBDLO Cc1sc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000263946598 427619517 /nfs/dbraw/zinc/61/95/17/427619517.db2.gz LWBXZYXANKLWRV-JTQLQIEISA-N 1 2 320.374 2.708 20 5 DFBDLO CCn1cnnc1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279091515 427556392 /nfs/dbraw/zinc/55/63/92/427556392.db2.gz NKFDGSNOJVFEIY-AWEZNQCLSA-N 1 2 315.377 2.718 20 5 DFBDLO Cc1cc[nH+]c(C)c1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000287407609 427600621 /nfs/dbraw/zinc/60/06/21/427600621.db2.gz DZIMUFXUOUWWHA-UHFFFAOYSA-N 1 2 314.345 2.971 20 5 DFBDLO COc1cccc(NCCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000185187720 427610962 /nfs/dbraw/zinc/61/09/62/427610962.db2.gz DVGHHJWEPNQCER-UHFFFAOYSA-N 1 2 302.334 2.913 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000339012488 427625722 /nfs/dbraw/zinc/62/57/22/427625722.db2.gz WFLLWBNJDHWMTF-MRXNPFEDSA-N 1 2 306.362 2.693 20 5 DFBDLO Cc1ccn2cc(CNC(=O)c3ccc([N+](=O)[O-])s3)[nH+]c2c1 ZINC000342264033 271978373 /nfs/dbraw/zinc/97/83/73/271978373.db2.gz NOCKUXFQSQFDQP-UHFFFAOYSA-N 1 2 316.342 2.542 20 5 DFBDLO O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)cn1 ZINC000343697357 272203290 /nfs/dbraw/zinc/20/32/90/272203290.db2.gz YXYAIKUIIWMRDS-CQSZACIVSA-N 1 2 313.361 2.933 20 5 DFBDLO Cc1cc(N2CCN(C3=[NH+]C[C@H](C)S3)CC2)ccc1[N+](=O)[O-] ZINC000301588365 427808050 /nfs/dbraw/zinc/80/80/50/427808050.db2.gz PSACTNVVXYFMMA-LBPRGKRZSA-N 1 2 320.418 2.517 20 5 DFBDLO Cc1cc(N[C@@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301784496 427824174 /nfs/dbraw/zinc/82/41/74/427824174.db2.gz VDUJYBBMPZSXDC-GFCCVEGCSA-N 1 2 300.318 2.561 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339773694 427827207 /nfs/dbraw/zinc/82/72/07/427827207.db2.gz WYBMNCWNDWRDEG-INIZCTEOSA-N 1 2 320.389 2.994 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339773694 427827210 /nfs/dbraw/zinc/82/72/10/427827210.db2.gz WYBMNCWNDWRDEG-INIZCTEOSA-N 1 2 320.389 2.994 20 5 DFBDLO Cc1cc(N(C)CC(C)(C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301839294 427828700 /nfs/dbraw/zinc/82/87/00/427828700.db2.gz XKOFYEMBTCEUBP-UHFFFAOYSA-N 1 2 316.361 2.567 20 5 DFBDLO Cc1ccc(CN2CC[NH+](Cc3ccco3)CC2)cc1[N+](=O)[O-] ZINC000349653626 427836445 /nfs/dbraw/zinc/83/64/45/427836445.db2.gz JSFRNJZLQFWFJW-UHFFFAOYSA-N 1 2 315.373 2.814 20 5 DFBDLO COc1ccc([C@H](C)[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000355658750 427837766 /nfs/dbraw/zinc/83/77/66/427837766.db2.gz MKYWSVAUSPTIIP-NSHDSACASA-N 1 2 304.350 2.530 20 5 DFBDLO COc1ccc([C@H](C)[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000355658750 427837772 /nfs/dbraw/zinc/83/77/72/427837772.db2.gz MKYWSVAUSPTIIP-NSHDSACASA-N 1 2 304.350 2.530 20 5 DFBDLO CCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(F)F ZINC000337341881 427851837 /nfs/dbraw/zinc/85/18/37/427851837.db2.gz VHUDKMSFCZIJDC-UHFFFAOYSA-N 1 2 315.320 2.901 20 5 DFBDLO CCC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(F)F ZINC000337341881 427851842 /nfs/dbraw/zinc/85/18/42/427851842.db2.gz VHUDKMSFCZIJDC-UHFFFAOYSA-N 1 2 315.320 2.901 20 5 DFBDLO Cc1c(CNc2cc(N3CCCC3)nc[nH+]2)cccc1[N+](=O)[O-] ZINC000302815670 427876437 /nfs/dbraw/zinc/87/64/37/427876437.db2.gz BPFQPGMQXGQFEN-UHFFFAOYSA-N 1 2 313.361 2.906 20 5 DFBDLO Cc1c(CNc2cc(N3CCCC3)[nH+]cn2)cccc1[N+](=O)[O-] ZINC000302815670 427876440 /nfs/dbraw/zinc/87/64/40/427876440.db2.gz BPFQPGMQXGQFEN-UHFFFAOYSA-N 1 2 313.361 2.906 20 5 DFBDLO O=[N+]([O-])c1ccc(-c2nc(Cc3cn4ccccc4[nH+]3)no2)cc1 ZINC000355761353 427879768 /nfs/dbraw/zinc/87/97/68/427879768.db2.gz ZBNJYQPWBAJBHY-UHFFFAOYSA-N 1 2 321.296 2.883 20 5 DFBDLO COCc1cnc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000359822101 428031121 /nfs/dbraw/zinc/03/11/21/428031121.db2.gz ZJLDSNLQMIRGGK-UHFFFAOYSA-N 1 2 307.375 2.796 20 5 DFBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCCc2cccc(C)[nH+]2)c1 ZINC000359838095 428039843 /nfs/dbraw/zinc/03/98/43/428039843.db2.gz OZFDRRBCVWCKAB-UHFFFAOYSA-N 1 2 315.329 2.739 20 5 DFBDLO O=[N+]([O-])c1cc2c(ncnc2NCCNc2cccc[nH+]2)s1 ZINC000341356949 428043441 /nfs/dbraw/zinc/04/34/41/428043441.db2.gz QJNZUBFNXJUHIK-UHFFFAOYSA-N 1 2 316.346 2.519 20 5 DFBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000377138901 428067565 /nfs/dbraw/zinc/06/75/65/428067565.db2.gz LLGNGFTUIVLWFZ-AWEZNQCLSA-N 1 2 314.345 2.835 20 5 DFBDLO Cc1[nH]c2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2[nH+]1 ZINC000356311538 428117907 /nfs/dbraw/zinc/11/79/07/428117907.db2.gz JTUMAGGYVRQXDR-UHFFFAOYSA-N 1 2 312.285 2.737 20 5 DFBDLO O=[N+]([O-])c1cc2ccccc2nc1NCc1ccn2cc[nH+]c2c1 ZINC000352361600 428133989 /nfs/dbraw/zinc/13/39/89/428133989.db2.gz RZXCCGNBNVSCIZ-UHFFFAOYSA-N 1 2 319.324 3.403 20 5 DFBDLO CC[C@H]1C[N@H+](CCNc2cc(C)c([N+](=O)[O-])cc2F)CCO1 ZINC000360083513 428150736 /nfs/dbraw/zinc/15/07/36/428150736.db2.gz QBQGEYMLPQNVFE-LBPRGKRZSA-N 1 2 311.357 2.565 20 5 DFBDLO CC[C@H]1C[N@@H+](CCNc2cc(C)c([N+](=O)[O-])cc2F)CCO1 ZINC000360083513 428150742 /nfs/dbraw/zinc/15/07/42/428150742.db2.gz QBQGEYMLPQNVFE-LBPRGKRZSA-N 1 2 311.357 2.565 20 5 DFBDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@]2(CCOC2)O1 ZINC000370157553 428147313 /nfs/dbraw/zinc/14/73/13/428147313.db2.gz AQGVAHJQJJGPNM-BBRMVZONSA-N 1 2 324.352 2.504 20 5 DFBDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@]2(CCOC2)O1 ZINC000370157553 428147319 /nfs/dbraw/zinc/14/73/19/428147319.db2.gz AQGVAHJQJJGPNM-BBRMVZONSA-N 1 2 324.352 2.504 20 5 DFBDLO CCc1noc(C)c1C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352709291 428213679 /nfs/dbraw/zinc/21/36/79/428213679.db2.gz ZYLXHPQUVPACOY-UHFFFAOYSA-N 1 2 317.345 2.848 20 5 DFBDLO CCc1noc(C)c1C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352709291 428213684 /nfs/dbraw/zinc/21/36/84/428213684.db2.gz ZYLXHPQUVPACOY-UHFFFAOYSA-N 1 2 317.345 2.848 20 5 DFBDLO COc1cccc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000352679293 428199813 /nfs/dbraw/zinc/19/98/13/428199813.db2.gz QTAQSQUEMVCCKK-UHFFFAOYSA-N 1 2 314.341 2.998 20 5 DFBDLO COc1cccc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000352679293 428199816 /nfs/dbraw/zinc/19/98/16/428199816.db2.gz QTAQSQUEMVCCKK-UHFFFAOYSA-N 1 2 314.341 2.998 20 5 DFBDLO O=[N+]([O-])c1ccc(F)cc1NCc1cccnc1-n1cc[nH+]c1 ZINC000378037625 428291616 /nfs/dbraw/zinc/29/16/16/428291616.db2.gz HNJBCTNLMXRFBO-UHFFFAOYSA-N 1 2 313.292 2.927 20 5 DFBDLO O=[N+]([O-])c1c[nH]c(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)c1 ZINC000356591781 428246077 /nfs/dbraw/zinc/24/60/77/428246077.db2.gz CQBQPKVCGRXVLZ-UHFFFAOYSA-N 1 2 322.284 2.826 20 5 DFBDLO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378411380 428390309 /nfs/dbraw/zinc/39/03/09/428390309.db2.gz VFRKQJJRDIIZCR-LBPRGKRZSA-N 1 2 320.736 2.949 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(NCCNc2ccc3ccccc3[nH+]2)n1 ZINC000360669995 428392955 /nfs/dbraw/zinc/39/29/55/428392955.db2.gz SJABWMBBYBZCMH-UHFFFAOYSA-N 1 2 323.356 3.370 20 5 DFBDLO CC[C@@](C)([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1nc(C)cs1 ZINC000357072312 428379159 /nfs/dbraw/zinc/37/91/59/428379159.db2.gz QIKLAUNNMJDRSV-CYBMUJFWSA-N 1 2 309.395 2.508 20 5 DFBDLO COc1cc(C[N@@H+]2CCC[C@H]2c2nc(C)no2)ccc1[N+](=O)[O-] ZINC000353559196 428594849 /nfs/dbraw/zinc/59/48/49/428594849.db2.gz ZUVDJIFLLNTDFB-ZDUSSCGKSA-N 1 2 318.333 2.632 20 5 DFBDLO COc1cc(C[N@H+]2CCC[C@H]2c2nc(C)no2)ccc1[N+](=O)[O-] ZINC000353559196 428594852 /nfs/dbraw/zinc/59/48/52/428594852.db2.gz ZUVDJIFLLNTDFB-ZDUSSCGKSA-N 1 2 318.333 2.632 20 5 DFBDLO C[N@H+]1Cc2ccccc2[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000361171169 428544334 /nfs/dbraw/zinc/54/43/34/428544334.db2.gz TVPWYCBGJHRONK-AWEZNQCLSA-N 1 2 303.387 2.933 20 5 DFBDLO C[N@@H+]1Cc2ccccc2[C@@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000361171169 428544336 /nfs/dbraw/zinc/54/43/36/428544336.db2.gz TVPWYCBGJHRONK-AWEZNQCLSA-N 1 2 303.387 2.933 20 5 DFBDLO Cc1noc([C@H]2CCC[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)n1 ZINC000353566157 428597914 /nfs/dbraw/zinc/59/79/14/428597914.db2.gz DIMRWZARDAAVTL-CQSZACIVSA-N 1 2 318.333 2.502 20 5 DFBDLO Cc1noc([C@H]2CCC[N@H+]2CCOc2cccc([N+](=O)[O-])c2)n1 ZINC000353566157 428597918 /nfs/dbraw/zinc/59/79/18/428597918.db2.gz DIMRWZARDAAVTL-CQSZACIVSA-N 1 2 318.333 2.502 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000348220128 428663048 /nfs/dbraw/zinc/66/30/48/428663048.db2.gz BXQLAFCYTPQQNJ-PXAZEXFGSA-N 1 2 320.389 2.993 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000348220128 428663054 /nfs/dbraw/zinc/66/30/54/428663054.db2.gz BXQLAFCYTPQQNJ-PXAZEXFGSA-N 1 2 320.389 2.993 20 5 DFBDLO Cc1[nH]c2ccc(Cn3c4cc([N+](=O)[O-])ccc4oc3=O)cc2[nH+]1 ZINC000358850831 428703560 /nfs/dbraw/zinc/70/35/60/428703560.db2.gz GIMLBPFXRUOAOL-UHFFFAOYSA-N 1 2 324.296 2.736 20 5 DFBDLO Cc1[nH]c2cc(Cn3c4cc([N+](=O)[O-])ccc4oc3=O)ccc2[nH+]1 ZINC000358850831 428703566 /nfs/dbraw/zinc/70/35/66/428703566.db2.gz GIMLBPFXRUOAOL-UHFFFAOYSA-N 1 2 324.296 2.736 20 5 DFBDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)[C@H]2C1 ZINC000374858078 428766164 /nfs/dbraw/zinc/76/61/64/428766164.db2.gz BYOOMIPCXPLMTM-KCXAZCMYSA-N 1 2 324.352 2.502 20 5 DFBDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)[C@H]2C1 ZINC000374858078 428766168 /nfs/dbraw/zinc/76/61/68/428766168.db2.gz BYOOMIPCXPLMTM-KCXAZCMYSA-N 1 2 324.352 2.502 20 5 DFBDLO CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1occc1C ZINC000412024636 428909097 /nfs/dbraw/zinc/90/90/97/428909097.db2.gz GGGPDJPBZHBWFW-UHFFFAOYSA-N 1 2 317.345 2.957 20 5 DFBDLO CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1occc1C ZINC000412024636 428909100 /nfs/dbraw/zinc/90/91/00/428909100.db2.gz GGGPDJPBZHBWFW-UHFFFAOYSA-N 1 2 317.345 2.957 20 5 DFBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCO[C@@H](C4CCC4)C3)nc2c1 ZINC000411839582 428866604 /nfs/dbraw/zinc/86/66/04/428866604.db2.gz BRAHZYJVFVYPRU-OAHLLOKOSA-N 1 2 317.345 2.737 20 5 DFBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCO[C@@H](C4CCC4)C3)nc2c1 ZINC000411839582 428866609 /nfs/dbraw/zinc/86/66/09/428866609.db2.gz BRAHZYJVFVYPRU-OAHLLOKOSA-N 1 2 317.345 2.737 20 5 DFBDLO COc1ccc(C[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)cc1Cl ZINC000412041342 428921952 /nfs/dbraw/zinc/92/19/52/428921952.db2.gz MNGHYTIMKJDWQK-UHFFFAOYSA-N 1 2 324.768 2.622 20 5 DFBDLO COc1ccc(C[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)cc1Cl ZINC000412041342 428921959 /nfs/dbraw/zinc/92/19/59/428921959.db2.gz MNGHYTIMKJDWQK-UHFFFAOYSA-N 1 2 324.768 2.622 20 5 DFBDLO Cc1nnc([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)[nH]1 ZINC000412049493 428926903 /nfs/dbraw/zinc/92/69/03/428926903.db2.gz YOUIWHDJSODOBF-NSHDSACASA-N 1 2 321.768 2.664 20 5 DFBDLO Cc1nnc([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)[nH]1 ZINC000412049493 428926910 /nfs/dbraw/zinc/92/69/10/428926910.db2.gz YOUIWHDJSODOBF-NSHDSACASA-N 1 2 321.768 2.664 20 5 DFBDLO Cc1n[nH]c([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)n1 ZINC000412049493 428926918 /nfs/dbraw/zinc/92/69/18/428926918.db2.gz YOUIWHDJSODOBF-NSHDSACASA-N 1 2 321.768 2.664 20 5 DFBDLO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)n1 ZINC000412049493 428926922 /nfs/dbraw/zinc/92/69/22/428926922.db2.gz YOUIWHDJSODOBF-NSHDSACASA-N 1 2 321.768 2.664 20 5 DFBDLO Cc1nc([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)n[nH]1 ZINC000412049493 428926930 /nfs/dbraw/zinc/92/69/30/428926930.db2.gz YOUIWHDJSODOBF-NSHDSACASA-N 1 2 321.768 2.664 20 5 DFBDLO Cc1nc([C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)n[nH]1 ZINC000412049493 428926938 /nfs/dbraw/zinc/92/69/38/428926938.db2.gz YOUIWHDJSODOBF-NSHDSACASA-N 1 2 321.768 2.664 20 5 DFBDLO Cc1cn2c([nH+]1)CN(Cc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000363715612 428975624 /nfs/dbraw/zinc/97/56/24/428975624.db2.gz VHQNZMOWAYULGY-UHFFFAOYSA-N 1 2 306.753 2.769 20 5 DFBDLO C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1nncn1C ZINC000433171348 429004149 /nfs/dbraw/zinc/00/41/49/429004149.db2.gz DSGIDOAZQRISKJ-YGRLFVJLSA-N 1 2 315.377 2.797 20 5 DFBDLO C[C@@H](CN1CCCC1=O)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413072572 429132546 /nfs/dbraw/zinc/13/25/46/429132546.db2.gz OVRFFGBVSZULAT-NSHDSACASA-N 1 2 314.345 2.566 20 5 DFBDLO CCOC[C@H](C)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489948079 429269559 /nfs/dbraw/zinc/26/95/59/429269559.db2.gz UXVVKFUCOWNTGD-LBPRGKRZSA-N 1 2 316.361 2.619 20 5 DFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000456368807 429291012 /nfs/dbraw/zinc/29/10/12/429291012.db2.gz CRTUMZHREXXXGG-LLVKDONJSA-N 1 2 302.334 2.611 20 5 DFBDLO CCc1ccc(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000456420508 429303427 /nfs/dbraw/zinc/30/34/27/429303427.db2.gz MSJPANQOFWTKMP-MFKMUULPSA-N 1 2 314.345 2.790 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)c1 ZINC000456434576 429306342 /nfs/dbraw/zinc/30/63/42/429306342.db2.gz VAEMFEPHBAEPQS-PWSUYJOCSA-N 1 2 300.318 2.536 20 5 DFBDLO CCc1c[nH+]ccc1NC(=O)C=Cc1ccc(F)cc1[N+](=O)[O-] ZINC000492108592 429469422 /nfs/dbraw/zinc/46/94/22/429469422.db2.gz KNPDCLXVMULRII-GQCTYLIASA-N 1 2 315.304 2.765 20 5 DFBDLO CCCn1ccnc1-c1cccc(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])c1 ZINC000366141631 429425193 /nfs/dbraw/zinc/42/51/93/429425193.db2.gz BYBDHQFNPNGQHS-KBPBESRZSA-N 1 2 314.345 2.564 20 5 DFBDLO CCCn1cc[nH+]c1-c1cccc(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])c1 ZINC000366141631 429425197 /nfs/dbraw/zinc/42/51/97/429425197.db2.gz BYBDHQFNPNGQHS-KBPBESRZSA-N 1 2 314.345 2.564 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1-c1noc(C[C@H](C)n2cc[nH+]c2)n1 ZINC000518778122 429433993 /nfs/dbraw/zinc/43/39/93/429433993.db2.gz KDVJGLGGXCJCAK-NSHDSACASA-N 1 2 313.317 2.953 20 5 DFBDLO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC000449509860 429438116 /nfs/dbraw/zinc/43/81/16/429438116.db2.gz JWXCOQPJXXYWJV-HOCLYGCPSA-N 1 2 310.394 2.679 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ncccc1OC ZINC000449749213 429498333 /nfs/dbraw/zinc/49/83/33/429498333.db2.gz OSJIRJOOIBRXQT-UHFFFAOYSA-N 1 2 317.345 2.687 20 5 DFBDLO Cc1ccc(C2CCN(c3ncc([N+](=O)[O-])c(C)n3)CC2)c[nH+]1 ZINC000450439464 429627767 /nfs/dbraw/zinc/62/77/67/429627767.db2.gz OBEYQSVOBRQTBD-UHFFFAOYSA-N 1 2 313.361 2.781 20 5 DFBDLO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1ccc(C)o1 ZINC000430213674 429664236 /nfs/dbraw/zinc/66/42/36/429664236.db2.gz USDIWURLZZHTKP-AWEZNQCLSA-N 1 2 320.345 2.982 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1cnccc1C ZINC000430240486 429665267 /nfs/dbraw/zinc/66/52/67/429665267.db2.gz PAXQPZNGOLZSKV-UHFFFAOYSA-N 1 2 301.346 2.939 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1cnccc1C ZINC000430240486 429665270 /nfs/dbraw/zinc/66/52/70/429665270.db2.gz PAXQPZNGOLZSKV-UHFFFAOYSA-N 1 2 301.346 2.939 20 5 DFBDLO CCOc1cc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000331156274 276369579 /nfs/dbraw/zinc/36/95/79/276369579.db2.gz JSTRZOGTQQUOEN-GFCCVEGCSA-N 1 2 308.378 2.993 20 5 DFBDLO CCOc1cc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000331156274 276369582 /nfs/dbraw/zinc/36/95/82/276369582.db2.gz JSTRZOGTQQUOEN-GFCCVEGCSA-N 1 2 308.378 2.993 20 5 DFBDLO CCOc1cc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000493547073 429783872 /nfs/dbraw/zinc/78/38/72/429783872.db2.gz NPNAZOAVVKZJOB-XQQFMLRXSA-N 1 2 308.378 2.991 20 5 DFBDLO CCOc1cc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000493547073 429783875 /nfs/dbraw/zinc/78/38/75/429783875.db2.gz NPNAZOAVVKZJOB-XQQFMLRXSA-N 1 2 308.378 2.991 20 5 DFBDLO CC1(CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000451308180 429808083 /nfs/dbraw/zinc/80/80/83/429808083.db2.gz AADUFHVOTWOMEN-UHFFFAOYSA-N 1 2 314.345 2.701 20 5 DFBDLO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@H]3C[C@H]3[N+](=O)[O-])c2C1 ZINC000368948460 429903241 /nfs/dbraw/zinc/90/32/41/429903241.db2.gz JUNKORYTAYIEPT-XJKSGUPXSA-N 1 2 317.389 2.652 20 5 DFBDLO CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@H]3C[C@H]3[N+](=O)[O-])c2C1 ZINC000368948460 429903243 /nfs/dbraw/zinc/90/32/43/429903243.db2.gz JUNKORYTAYIEPT-XJKSGUPXSA-N 1 2 317.389 2.652 20 5 DFBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@](F)(c3ccc(F)cc3)C2)n1 ZINC000369206956 429919144 /nfs/dbraw/zinc/91/91/44/429919144.db2.gz ONKHMMFYDYEAIU-HNNXBMFYSA-N 1 2 322.315 2.501 20 5 DFBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@](F)(c3ccc(F)cc3)C2)n1 ZINC000369206956 429919146 /nfs/dbraw/zinc/91/91/46/429919146.db2.gz ONKHMMFYDYEAIU-HNNXBMFYSA-N 1 2 322.315 2.501 20 5 DFBDLO CC(C)Oc1nc(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)ccc1[N+](=O)[O-] ZINC000566482510 430265585 /nfs/dbraw/zinc/26/55/85/430265585.db2.gz OVEFXPQODHGBDK-GHMZBOCLSA-N 1 2 317.349 3.091 20 5 DFBDLO CC1(C)CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000582102142 430268136 /nfs/dbraw/zinc/26/81/36/430268136.db2.gz AERWIOOCKBVKOQ-UHFFFAOYSA-N 1 2 319.405 2.663 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1cnn(C)c1C ZINC000567213462 430279640 /nfs/dbraw/zinc/27/96/40/430279640.db2.gz VTMXIIIUFROUNG-UHFFFAOYSA-N 1 2 318.377 2.667 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1cnn(C)c1C ZINC000567213462 430279645 /nfs/dbraw/zinc/27/96/45/430279645.db2.gz VTMXIIIUFROUNG-UHFFFAOYSA-N 1 2 318.377 2.667 20 5 DFBDLO COc1cccc([N+](=O)[O-])c1NCc1ccc(N(C)C)[nH+]c1 ZINC000581736559 430238221 /nfs/dbraw/zinc/23/82/21/430238221.db2.gz ZMVOKNWBVVJVPY-UHFFFAOYSA-N 1 2 302.334 2.677 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000569546805 430462187 /nfs/dbraw/zinc/46/21/87/430462187.db2.gz YQRWIUWTJOMIKT-SNVBAGLBSA-N 1 2 301.350 2.750 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000549082245 430517013 /nfs/dbraw/zinc/51/70/13/430517013.db2.gz QXOXOEFVVGTGFM-LBPRGKRZSA-N 1 2 316.304 2.807 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000549082245 430517016 /nfs/dbraw/zinc/51/70/16/430517016.db2.gz QXOXOEFVVGTGFM-LBPRGKRZSA-N 1 2 316.304 2.807 20 5 DFBDLO CCc1cc(NCCc2ccc(Cl)cc2[N+](=O)[O-])nc[nH+]1 ZINC000611493887 430567863 /nfs/dbraw/zinc/56/78/63/430567863.db2.gz WGLTWERJZNEOEZ-UHFFFAOYSA-N 1 2 306.753 3.255 20 5 DFBDLO C[C@H](O)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000571768687 430652369 /nfs/dbraw/zinc/65/23/69/430652369.db2.gz ZAQJEWHAQNWXCY-ZBEGNZNMSA-N 1 2 304.321 2.946 20 5 DFBDLO Cc1cc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c(C)c[nH+]1 ZINC000556769897 430692541 /nfs/dbraw/zinc/69/25/41/430692541.db2.gz QDAROXVRVRQOHP-UHFFFAOYSA-N 1 2 314.345 2.692 20 5 DFBDLO CC1(C)C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000361509134 278336796 /nfs/dbraw/zinc/33/67/96/278336796.db2.gz AFWNJRYMBICSQB-MRXNPFEDSA-N 1 2 324.352 2.504 20 5 DFBDLO CC1(C)C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000361509134 278336799 /nfs/dbraw/zinc/33/67/99/278336799.db2.gz AFWNJRYMBICSQB-MRXNPFEDSA-N 1 2 324.352 2.504 20 5 DFBDLO C[C@@H](Nc1ncnc2c1C[N@H+](C)CC2)c1ccccc1[N+](=O)[O-] ZINC000271699120 278390355 /nfs/dbraw/zinc/39/03/55/278390355.db2.gz NDCLNHANHKGKQU-LLVKDONJSA-N 1 2 313.361 2.546 20 5 DFBDLO C[C@@H](Nc1ncnc2c1C[N@@H+](C)CC2)c1ccccc1[N+](=O)[O-] ZINC000271699120 278390358 /nfs/dbraw/zinc/39/03/58/278390358.db2.gz NDCLNHANHKGKQU-LLVKDONJSA-N 1 2 313.361 2.546 20 5 DFBDLO Cc1c(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC000120329507 278585081 /nfs/dbraw/zinc/58/50/81/278585081.db2.gz MPQHAXONKTUMHX-CQSZACIVSA-N 1 2 314.345 2.994 20 5 DFBDLO Cc1cc(C[NH+]2CCN(c3c(C)cccc3[N+](=O)[O-])CC2)on1 ZINC000263696990 278687125 /nfs/dbraw/zinc/68/71/25/278687125.db2.gz DVQHUERMGDHZMF-UHFFFAOYSA-N 1 2 316.361 2.522 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000301598441 278932288 /nfs/dbraw/zinc/93/22/88/278932288.db2.gz TYDXLVIPHHYGMW-GFCCVEGCSA-N 1 2 320.418 2.517 20 5 DFBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000194708177 280192330 /nfs/dbraw/zinc/19/23/30/280192330.db2.gz LFXLWCYVTWEKFC-SECBINFHSA-N 1 2 306.347 2.747 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000248873237 280364051 /nfs/dbraw/zinc/36/40/51/280364051.db2.gz IJUMKYGBUOTLRS-UKRRQHHQSA-N 1 2 321.333 2.646 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000248873237 280364055 /nfs/dbraw/zinc/36/40/55/280364055.db2.gz IJUMKYGBUOTLRS-UKRRQHHQSA-N 1 2 321.333 2.646 20 5 DFBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000377598047 280374442 /nfs/dbraw/zinc/37/44/42/280374442.db2.gz MSXKCSGIZYGVFT-UHFFFAOYSA-N 1 2 312.325 2.968 20 5 DFBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000377598047 280374444 /nfs/dbraw/zinc/37/44/44/280374444.db2.gz MSXKCSGIZYGVFT-UHFFFAOYSA-N 1 2 312.325 2.968 20 5 DFBDLO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000354824208 289071816 /nfs/dbraw/zinc/07/18/16/289071816.db2.gz CCOKHCHPRSFVQU-WDEREUQCSA-N 1 2 318.352 2.975 20 5 DFBDLO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000354824208 289071818 /nfs/dbraw/zinc/07/18/18/289071818.db2.gz CCOKHCHPRSFVQU-WDEREUQCSA-N 1 2 318.352 2.975 20 5 DFBDLO Cc1cnc([C@H](C)[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)o1 ZINC000332402825 292945276 /nfs/dbraw/zinc/94/52/76/292945276.db2.gz VAFYTKOIGXHFBP-ZDUSSCGKSA-N 1 2 316.361 2.774 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)c1nccs1 ZINC000411881618 295566108 /nfs/dbraw/zinc/56/61/08/295566108.db2.gz QBZCBNBNPZCORT-JTQLQIEISA-N 1 2 320.374 2.649 20 5 DFBDLO CC[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1[nH]cc[nH+]1 ZINC000442789535 297206194 /nfs/dbraw/zinc/20/61/94/297206194.db2.gz FACHNRCCCONGJB-JTQLQIEISA-N 1 2 313.317 2.680 20 5 DFBDLO C[C@]1(C[NH+]=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCO[C@H]1C1CC1 ZINC000447675036 297312789 /nfs/dbraw/zinc/31/27/89/297312789.db2.gz JREFGBXDANPYMK-GOEBONIOSA-N 1 2 316.361 2.510 20 5 DFBDLO CCn1nnc(C)c1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000449009081 297389597 /nfs/dbraw/zinc/38/95/97/297389597.db2.gz GOBLSLFBHNIYIJ-UHFFFAOYSA-N 1 2 315.377 2.679 20 5 DFBDLO CCn1nnc(C)c1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000449009081 297389599 /nfs/dbraw/zinc/38/95/99/297389599.db2.gz GOBLSLFBHNIYIJ-UHFFFAOYSA-N 1 2 315.377 2.679 20 5 DFBDLO COC(=O)c1csc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000450673424 297666521 /nfs/dbraw/zinc/66/65/21/297666521.db2.gz KIIYXLKNEHYZRY-VIFPVBQESA-N 1 2 321.358 2.689 20 5 DFBDLO COc1ccc(C[N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000505764987 300227497 /nfs/dbraw/zinc/22/74/97/300227497.db2.gz AZPULMUXEALVAD-UHFFFAOYSA-N 1 2 302.330 2.941 20 5 DFBDLO COc1ccc(C[N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000505764987 300227500 /nfs/dbraw/zinc/22/75/00/300227500.db2.gz AZPULMUXEALVAD-UHFFFAOYSA-N 1 2 302.330 2.941 20 5 DFBDLO O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)c1ccc([N+](=O)[O-])cn1 ZINC000532392235 301149773 /nfs/dbraw/zinc/14/97/73/301149773.db2.gz QDSRWSLUCIPTSC-UHFFFAOYSA-N 1 2 309.285 2.632 20 5 DFBDLO O=[N+]([O-])c1ccc(N2CC(n3cc[nH+]c3)C2)cc1C(F)(F)F ZINC000534496505 301232995 /nfs/dbraw/zinc/23/29/95/301232995.db2.gz GGHAXMGEKLZMFA-UHFFFAOYSA-N 1 2 312.251 2.871 20 5 DFBDLO CCCCn1nnnc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000537179508 301295898 /nfs/dbraw/zinc/29/58/98/301295898.db2.gz ORBSTIZPBSGWSH-LBPRGKRZSA-N 1 2 318.381 2.541 20 5 DFBDLO CC(=O)c1ccc(NCCCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000540391983 301362669 /nfs/dbraw/zinc/36/26/69/301362669.db2.gz NVRIMCYZGBDBST-UHFFFAOYSA-N 1 2 302.334 2.886 20 5 DFBDLO Cc1cccn2cc(Cc3noc(-c4cc([N+](=O)[O-])c[nH]4)n3)[nH+]c12 ZINC000545677999 301476516 /nfs/dbraw/zinc/47/65/16/301476516.db2.gz LMGIDYWPUFUTNZ-UHFFFAOYSA-N 1 2 324.300 2.520 20 5 DFBDLO C[N@@H+]1CCO[C@H](CSc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000563047484 302031115 /nfs/dbraw/zinc/03/11/15/302031115.db2.gz FWOPLEWSXMLYTI-NSHDSACASA-N 1 2 319.386 2.566 20 5 DFBDLO C[N@H+]1CCO[C@H](CSc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000563047484 302031117 /nfs/dbraw/zinc/03/11/17/302031117.db2.gz FWOPLEWSXMLYTI-NSHDSACASA-N 1 2 319.386 2.566 20 5 DFBDLO C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)c1[nH]cc[nH+]1 ZINC000563412675 302069174 /nfs/dbraw/zinc/06/91/74/302069174.db2.gz PSIFNVHYQDIYSE-SECBINFHSA-N 1 2 320.324 2.612 20 5 DFBDLO Cc1ccc(C[N@@H+]2CCO[C@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000566247286 302269928 /nfs/dbraw/zinc/26/99/28/302269928.db2.gz KUMMUEGRYOGIET-OAHLLOKOSA-N 1 2 308.403 2.611 20 5 DFBDLO Cc1ccc(C[N@H+]2CCO[C@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000566247286 302269929 /nfs/dbraw/zinc/26/99/29/302269929.db2.gz KUMMUEGRYOGIET-OAHLLOKOSA-N 1 2 308.403 2.611 20 5 DFBDLO Cn1cc[nH+]c1[C@H]1N(c2ncc(Cl)cc2[N+](=O)[O-])CC1(C)C ZINC000296427399 303011337 /nfs/dbraw/zinc/01/13/37/303011337.db2.gz YCLMRBXDEYQXAP-LLVKDONJSA-N 1 2 321.768 2.964 20 5 DFBDLO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1nccn1C ZINC000182829555 316119357 /nfs/dbraw/zinc/11/93/57/316119357.db2.gz SAWIDXDJGMARAB-CYBMUJFWSA-N 1 2 304.350 2.578 20 5 DFBDLO Cc1c(-c2noc(C[C@H](C)n3cc[nH+]c3)n2)cccc1[N+](=O)[O-] ZINC000351439652 316519537 /nfs/dbraw/zinc/51/95/37/316519537.db2.gz AFCMQDKUNFFDLG-JTQLQIEISA-N 1 2 313.317 2.953 20 5 DFBDLO Cc1c(-c2noc(C[C@@H](C)n3cc[nH+]c3)n2)cccc1[N+](=O)[O-] ZINC000351439653 316519891 /nfs/dbraw/zinc/51/98/91/316519891.db2.gz AFCMQDKUNFFDLG-SNVBAGLBSA-N 1 2 313.317 2.953 20 5 DFBDLO C[C@@H](CC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)n1cc[nH+]c1 ZINC000575127318 318065220 /nfs/dbraw/zinc/06/52/20/318065220.db2.gz DLUCUDLJHBUGDJ-JTQLQIEISA-N 1 2 322.752 2.712 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC3(CCC3)[C@H]3COC[C@H]32)c(F)c1 ZINC000576921878 318159125 /nfs/dbraw/zinc/15/91/25/318159125.db2.gz UZUUSYYYQZXPCB-SWLSCSKDSA-N 1 2 324.327 2.874 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC3(CCC3)[C@H]3COC[C@H]32)c(F)c1 ZINC000576921878 318159127 /nfs/dbraw/zinc/15/91/27/318159127.db2.gz UZUUSYYYQZXPCB-SWLSCSKDSA-N 1 2 324.327 2.874 20 5 DFBDLO Cc1nnc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000578410378 318258416 /nfs/dbraw/zinc/25/84/16/318258416.db2.gz RUHSVOJUQKHGCA-CYBMUJFWSA-N 1 2 304.375 2.922 20 5 DFBDLO C[C@H](C(=O)NCc1ccn2cc[nH+]c2c1)c1cccc([N+](=O)[O-])c1 ZINC000579065541 318304095 /nfs/dbraw/zinc/30/40/95/318304095.db2.gz LAICRLXBXOVTSF-LBPRGKRZSA-N 1 2 324.340 2.662 20 5 DFBDLO COc1cc(C[N@@H+]2CCOC[C@@H]2C2CCC2)ccc1[N+](=O)[O-] ZINC000579469652 318332507 /nfs/dbraw/zinc/33/25/07/318332507.db2.gz CLLDVSGIXXCNQK-OAHLLOKOSA-N 1 2 306.362 2.604 20 5 DFBDLO COc1cc(C[N@H+]2CCOC[C@@H]2C2CCC2)ccc1[N+](=O)[O-] ZINC000579469652 318332510 /nfs/dbraw/zinc/33/25/10/318332510.db2.gz CLLDVSGIXXCNQK-OAHLLOKOSA-N 1 2 306.362 2.604 20 5 DFBDLO Nc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c[nH+]1 ZINC000192030435 323240332 /nfs/dbraw/zinc/24/03/32/323240332.db2.gz DHHAKPOKSNRADS-UHFFFAOYSA-N 1 2 321.724 2.547 20 5 DFBDLO Cc1c[nH]c(C(C)(C)NC(=O)c2cc(C)cc([N+](=O)[O-])c2)[nH+]1 ZINC000582246585 323638663 /nfs/dbraw/zinc/63/86/63/323638663.db2.gz HCVRVDNWJVEWTQ-UHFFFAOYSA-N 1 2 302.334 2.600 20 5 DFBDLO COC(=O)c1occc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000318253930 534386012 /nfs/dbraw/zinc/38/60/12/534386012.db2.gz JYUMKGWYIRPQRR-UHFFFAOYSA-N 1 2 304.302 2.573 20 5 DFBDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000317148457 526519262 /nfs/dbraw/zinc/51/92/62/526519262.db2.gz LCEJZJVTDBCTMT-CQSZACIVSA-N 1 2 306.362 2.901 20 5 DFBDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000317148457 526519267 /nfs/dbraw/zinc/51/92/67/526519267.db2.gz LCEJZJVTDBCTMT-CQSZACIVSA-N 1 2 306.362 2.901 20 5 DFBDLO CC(C)(C)[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCO1 ZINC000331311435 526737492 /nfs/dbraw/zinc/73/74/92/526737492.db2.gz GWLZNUKRRWFWNO-CQSZACIVSA-N 1 2 321.377 2.725 20 5 DFBDLO CC(C)(C)[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCO1 ZINC000331311435 526737496 /nfs/dbraw/zinc/73/74/96/526737496.db2.gz GWLZNUKRRWFWNO-CQSZACIVSA-N 1 2 321.377 2.725 20 5 DFBDLO CC[C@@H]1C[N@H+](CCNc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000362669689 535857228 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317.345 2.715 20 5 DFBDLO COc1cncc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000599340026 398956136 /nfs/dbraw/zinc/95/61/36/398956136.db2.gz ZXJPTQSSNDXCIA-UHFFFAOYSA-N 1 2 314.345 2.558 20 5 DFBDLO COc1cncc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000599340026 398956140 /nfs/dbraw/zinc/95/61/40/398956140.db2.gz ZXJPTQSSNDXCIA-UHFFFAOYSA-N 1 2 314.345 2.558 20 5 DFBDLO Cc1ccc(NC(=O)NCCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000056530147 398977879 /nfs/dbraw/zinc/97/78/79/398977879.db2.gz UOOHTKVRKRQUGG-UHFFFAOYSA-N 1 2 317.349 2.702 20 5 DFBDLO Cc1ncsc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193873028 201135684 /nfs/dbraw/zinc/13/56/84/201135684.db2.gz TXRGRTNQUZTYSB-UHFFFAOYSA-N 1 2 322.346 2.900 20 5 DFBDLO Cc1ncsc1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193873028 201135687 /nfs/dbraw/zinc/13/56/87/201135687.db2.gz TXRGRTNQUZTYSB-UHFFFAOYSA-N 1 2 322.346 2.900 20 5 DFBDLO COc1c(C)c[nH+]c(CN(C)c2ncc([N+](=O)[O-])s2)c1C ZINC000195511734 201397383 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193235000 /nfs/dbraw/zinc/23/50/00/193235000.db2.gz TYFFWPVIBDOYMR-UHFFFAOYSA-N 1 2 314.341 2.867 20 5 DFBDLO Cc1c(CSc2[nH+]cnc3c2cnn3C)cccc1[N+](=O)[O-] ZINC000340939111 284220953 /nfs/dbraw/zinc/22/09/53/284220953.db2.gz MSBXLXSJAOPBEQ-UHFFFAOYSA-N 1 2 315.358 2.872 20 5 DFBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@](C)(C(F)F)O1 ZINC000595916736 399135297 /nfs/dbraw/zinc/13/52/97/399135297.db2.gz LGGGASLODFPLPS-IINYFYTJSA-N 1 2 300.305 2.839 20 5 DFBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@](C)(C(F)F)O1 ZINC000595916736 399135302 /nfs/dbraw/zinc/13/53/02/399135302.db2.gz LGGGASLODFPLPS-IINYFYTJSA-N 1 2 300.305 2.839 20 5 DFBDLO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3C)CC2)on1 ZINC000080540764 399157211 /nfs/dbraw/zinc/15/72/11/399157211.db2.gz FZWGNLMHESAZEU-UHFFFAOYSA-N 1 2 316.361 2.522 20 5 DFBDLO COC(=O)c1ccc(-c2c[nH+]c(C(C)C)n2C)c([N+](=O)[O-])c1 ZINC000600846480 399159840 /nfs/dbraw/zinc/15/98/40/399159840.db2.gz YWPCLANCCMWXKV-UHFFFAOYSA-N 1 2 303.318 2.905 20 5 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Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000101861584 193844236 /nfs/dbraw/zinc/84/42/36/193844236.db2.gz HMAZDDSKHOGDLH-UHFFFAOYSA-N 1 2 314.345 2.577 20 5 DFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1-n1c[nH+]c(CCCO)c1 ZINC000609494769 399320304 /nfs/dbraw/zinc/32/03/04/399320304.db2.gz QIPLXWPFCVKESM-UHFFFAOYSA-N 1 2 315.251 2.724 20 5 DFBDLO CNc1ccc(C(=O)Nc2ccc3[nH+]ccn3c2)cc1[N+](=O)[O-] ZINC000609623024 399327228 /nfs/dbraw/zinc/32/72/28/399327228.db2.gz FLLMSODYCHJNSP-UHFFFAOYSA-N 1 2 311.301 2.537 20 5 DFBDLO O=[N+]([O-])c1cnc(N2CCC[C@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000609892793 399335544 /nfs/dbraw/zinc/33/55/44/399335544.db2.gz ABBKZBOQMYJOLL-JTQLQIEISA-N 1 2 307.741 2.681 20 5 DFBDLO Cc1[nH+]c2n(c1C)CCN(Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000610476364 399371053 /nfs/dbraw/zinc/37/10/53/399371053.db2.gz XZQALYVQTQQYMT-UHFFFAOYSA-N 1 2 304.325 2.563 20 5 DFBDLO CCc1noc([C@@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000285208775 218333244 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O=[N+]([O-])c1ccc(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)s1 ZINC000610785239 399406223 /nfs/dbraw/zinc/40/62/23/399406223.db2.gz ASMHHZIWHNPPFJ-NWDGAFQWSA-N 1 2 311.407 2.712 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CCOC(C)(C)C ZINC000610859716 399412917 /nfs/dbraw/zinc/41/29/17/399412917.db2.gz JTNBCLLCOCIFTJ-UHFFFAOYSA-N 1 2 323.393 2.589 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CCOC(C)(C)C ZINC000610859716 399412922 /nfs/dbraw/zinc/41/29/22/399412922.db2.gz JTNBCLLCOCIFTJ-UHFFFAOYSA-N 1 2 323.393 2.589 20 5 DFBDLO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610929459 399419171 /nfs/dbraw/zinc/41/91/71/399419171.db2.gz PFQPPQOXMFYIAQ-LLVKDONJSA-N 1 2 307.741 2.681 20 5 DFBDLO CN(CCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000268994502 207152651 /nfs/dbraw/zinc/15/26/51/207152651.db2.gz WALSHEONMMXROD-UHFFFAOYSA-N 1 2 311.345 2.866 20 5 DFBDLO O=[N+]([O-])c1ccc(CSc2cc(-n3cc[nH+]c3)ncn2)cc1 ZINC000611084402 399432846 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2.825 20 5 DFBDLO C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1F ZINC000611502555 399484026 /nfs/dbraw/zinc/48/40/26/399484026.db2.gz VGGKRWHYRSUAGC-QMTHXVAHSA-N 1 2 310.325 2.641 20 5 DFBDLO C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1F ZINC000611502555 399484027 /nfs/dbraw/zinc/48/40/27/399484027.db2.gz VGGKRWHYRSUAGC-QMTHXVAHSA-N 1 2 310.325 2.641 20 5 DFBDLO C[C@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1F ZINC000611501718 399483070 /nfs/dbraw/zinc/48/30/70/399483070.db2.gz HMSLTNBXKQNWEU-GXFFZTMASA-N 1 2 320.324 2.825 20 5 DFBDLO COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)c([N+](=O)[O-])cc1OC ZINC000611521358 399487491 /nfs/dbraw/zinc/48/74/91/399487491.db2.gz ALKUMXQUAUEFTJ-JQWIXIFHSA-N 1 2 312.341 2.792 20 5 DFBDLO COc1cc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)c([N+](=O)[O-])cc1OC ZINC000611521358 399487495 /nfs/dbraw/zinc/48/74/95/399487495.db2.gz ALKUMXQUAUEFTJ-JQWIXIFHSA-N 1 2 312.341 2.792 20 5 DFBDLO CO[C@@H](C)C[N@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602653418 399503920 /nfs/dbraw/zinc/50/39/20/399503920.db2.gz HJBOTPVGUUFUPJ-ZETCQYMHSA-N 1 2 323.212 2.886 20 5 DFBDLO CO[C@@H](C)C[N@@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602653418 399503922 /nfs/dbraw/zinc/50/39/22/399503922.db2.gz HJBOTPVGUUFUPJ-ZETCQYMHSA-N 1 2 323.212 2.886 20 5 DFBDLO Cc1ccccc1[C@]1(F)CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602654514 399503610 /nfs/dbraw/zinc/50/36/10/399503610.db2.gz VBEZXZCPESSJTP-INIZCTEOSA-N 1 2 318.352 2.707 20 5 DFBDLO Cc1ccccc1[C@]1(F)CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602654514 399503612 /nfs/dbraw/zinc/50/36/12/399503612.db2.gz VBEZXZCPESSJTP-INIZCTEOSA-N 1 2 318.352 2.707 20 5 DFBDLO Cc1ccccc1[C@@]1(F)CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602654515 399503951 /nfs/dbraw/zinc/50/39/51/399503951.db2.gz VBEZXZCPESSJTP-MRXNPFEDSA-N 1 2 318.352 2.707 20 5 DFBDLO Cc1ccccc1[C@@]1(F)CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602654515 399503953 /nfs/dbraw/zinc/50/39/53/399503953.db2.gz VBEZXZCPESSJTP-MRXNPFEDSA-N 1 2 318.352 2.707 20 5 DFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1nccn1C ZINC000347381003 285021453 /nfs/dbraw/zinc/02/14/53/285021453.db2.gz SSYLTXGGMNMNEI-UKTHLTGXSA-N 1 2 300.362 2.864 20 5 DFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1nccn1C ZINC000347381003 285021456 /nfs/dbraw/zinc/02/14/56/285021456.db2.gz SSYLTXGGMNMNEI-UKTHLTGXSA-N 1 2 300.362 2.864 20 5 DFBDLO COc1cc[nH+]cc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000119660508 195012330 /nfs/dbraw/zinc/01/23/30/195012330.db2.gz JIZOMSSQVXTMEN-UHFFFAOYSA-N 1 2 307.693 2.904 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)CO1 ZINC000602701247 399527863 /nfs/dbraw/zinc/52/78/63/399527863.db2.gz XYQQBMDKOJIPPK-CMPLNLGQSA-N 1 2 305.334 2.735 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)CO1 ZINC000602701247 399527866 /nfs/dbraw/zinc/52/78/66/399527866.db2.gz XYQQBMDKOJIPPK-CMPLNLGQSA-N 1 2 305.334 2.735 20 5 DFBDLO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)c1ccco1 ZINC000347613194 285092899 /nfs/dbraw/zinc/09/28/99/285092899.db2.gz BBWCFHODQIXMFA-LBPRGKRZSA-N 1 2 306.318 2.674 20 5 DFBDLO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)c1ccc(C)o1 ZINC000347639471 285107615 /nfs/dbraw/zinc/10/76/15/285107615.db2.gz QGWDMNHBIRVMND-CYBMUJFWSA-N 1 2 320.345 2.982 20 5 DFBDLO O=C(Cc1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120199020 195116908 /nfs/dbraw/zinc/11/69/08/195116908.db2.gz UWUPCWLWMOCVEH-CQSZACIVSA-N 1 2 314.345 2.614 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCOCC2)c(C(F)(F)F)c1 ZINC000372192300 285111915 /nfs/dbraw/zinc/11/19/15/285111915.db2.gz MYQBDGPQUAFGSV-UHFFFAOYSA-N 1 2 304.268 2.836 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCOCC2)c(C(F)(F)F)c1 ZINC000372192300 285111918 /nfs/dbraw/zinc/11/19/18/285111918.db2.gz MYQBDGPQUAFGSV-UHFFFAOYSA-N 1 2 304.268 2.836 20 5 DFBDLO C[C@H]([NH2+]Cc1nc(CC2CC2)no1)c1cccc([N+](=O)[O-])c1 ZINC000602802065 399580893 /nfs/dbraw/zinc/58/08/93/399580893.db2.gz ONBKJXPDICVLBO-JTQLQIEISA-N 1 2 302.334 2.781 20 5 DFBDLO Cc1nc([C@H]2CCC[N@@H+]2CCn2c(C)ncc2[N+](=O)[O-])cs1 ZINC000602812932 399585952 /nfs/dbraw/zinc/58/59/52/399585952.db2.gz UGEILDJKXKTSTQ-CYBMUJFWSA-N 1 2 321.406 2.702 20 5 DFBDLO Cc1nc([C@H]2CCC[N@H+]2CCn2c(C)ncc2[N+](=O)[O-])cs1 ZINC000602812932 399585954 /nfs/dbraw/zinc/58/59/54/399585954.db2.gz UGEILDJKXKTSTQ-CYBMUJFWSA-N 1 2 321.406 2.702 20 5 DFBDLO CC[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000347980152 285280312 /nfs/dbraw/zinc/28/03/12/285280312.db2.gz GFTXQZSFFJAQJM-CYBMUJFWSA-N 1 2 302.334 2.518 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC[C@H]1CC(F)F ZINC000289514865 221033166 /nfs/dbraw/zinc/03/31/66/221033166.db2.gz GXBIXIIYZMVBOP-CYBMUJFWSA-N 1 2 300.305 2.759 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC[C@H]1CC(F)F ZINC000289514865 221033168 /nfs/dbraw/zinc/03/31/68/221033168.db2.gz GXBIXIIYZMVBOP-CYBMUJFWSA-N 1 2 300.305 2.759 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000617376732 399683080 /nfs/dbraw/zinc/68/30/80/399683080.db2.gz QCBXVQGUXVWJKD-UHFFFAOYSA-N 1 2 312.285 2.503 20 5 DFBDLO COc1cc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c(F)cn1 ZINC000348080917 285334881 /nfs/dbraw/zinc/33/48/81/285334881.db2.gz RQJRNONXPPLUMT-SNVBAGLBSA-N 1 2 305.309 2.988 20 5 DFBDLO COc1ccc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)cc1[N+](=O)[O-] ZINC000121528529 195304579 /nfs/dbraw/zinc/30/45/79/195304579.db2.gz XYWXIFLPLWWNTO-MRXNPFEDSA-N 1 2 318.329 2.770 20 5 DFBDLO COc1ccc(C[N@H+]2CCO[C@@H](c3ccco3)C2)cc1[N+](=O)[O-] ZINC000121528529 195304580 /nfs/dbraw/zinc/30/45/80/195304580.db2.gz XYWXIFLPLWWNTO-MRXNPFEDSA-N 1 2 318.329 2.770 20 5 DFBDLO O=C(N[C@@H]1CC=CCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172483090 542758682 /nfs/dbraw/zinc/75/86/82/542758682.db2.gz ZPRGDIDWEZYQSU-CYBMUJFWSA-N 1 2 312.329 2.619 20 5 DFBDLO O=C(NCCCCn1cc[nH+]c1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000604197299 399831562 /nfs/dbraw/zinc/83/15/62/399831562.db2.gz ILVIREMFGADMOC-UHFFFAOYSA-N 1 2 322.752 2.655 20 5 DFBDLO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)[nH]1 ZINC000276310746 542977398 /nfs/dbraw/zinc/97/73/98/542977398.db2.gz MDQSOIHQYNQVAA-GFCCVEGCSA-N 1 2 319.340 2.540 20 5 DFBDLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)[nH]1 ZINC000276310746 542977401 /nfs/dbraw/zinc/97/74/01/542977401.db2.gz MDQSOIHQYNQVAA-GFCCVEGCSA-N 1 2 319.340 2.540 20 5 DFBDLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)n1 ZINC000276310746 542977402 /nfs/dbraw/zinc/97/74/02/542977402.db2.gz MDQSOIHQYNQVAA-GFCCVEGCSA-N 1 2 319.340 2.540 20 5 DFBDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)n1 ZINC000276310746 542977405 /nfs/dbraw/zinc/97/74/05/542977405.db2.gz MDQSOIHQYNQVAA-GFCCVEGCSA-N 1 2 319.340 2.540 20 5 DFBDLO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)n[nH]1 ZINC000276310746 542977408 /nfs/dbraw/zinc/97/74/08/542977408.db2.gz MDQSOIHQYNQVAA-GFCCVEGCSA-N 1 2 319.340 2.540 20 5 DFBDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)n[nH]1 ZINC000276310746 542977411 /nfs/dbraw/zinc/97/74/11/542977411.db2.gz MDQSOIHQYNQVAA-GFCCVEGCSA-N 1 2 319.340 2.540 20 5 DFBDLO CCC(CC)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000355214378 147224795 /nfs/dbraw/zinc/22/47/95/147224795.db2.gz AIUPPEZVNYRTCP-UHFFFAOYSA-N 1 2 316.361 2.947 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000355325911 147266128 /nfs/dbraw/zinc/26/61/28/147266128.db2.gz CXUJTRWKCLOJHC-UHFFFAOYSA-N 1 2 318.352 2.880 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000355325911 147266131 /nfs/dbraw/zinc/26/61/31/147266131.db2.gz CXUJTRWKCLOJHC-UHFFFAOYSA-N 1 2 318.352 2.880 20 5 DFBDLO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000350865101 286095897 /nfs/dbraw/zinc/09/58/97/286095897.db2.gz AILILZWZPCQOBN-GFCCVEGCSA-N 1 2 323.368 2.615 20 5 DFBDLO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000350865101 286095898 /nfs/dbraw/zinc/09/58/98/286095898.db2.gz AILILZWZPCQOBN-GFCCVEGCSA-N 1 2 323.368 2.615 20 5 DFBDLO C[NH+](C)Cc1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000351508388 286139009 /nfs/dbraw/zinc/13/90/09/286139009.db2.gz SSYMURZOFNEFBV-UHFFFAOYSA-N 1 2 315.329 2.614 20 5 DFBDLO O=C(c1cc([N+](=O)[O-])cc(F)c1F)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000371524662 150060429 /nfs/dbraw/zinc/06/04/29/150060429.db2.gz IZLCAKXEGRIARE-NSHDSACASA-N 1 2 322.271 2.573 20 5 DFBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCOCC4(CCC4)C3)nc2c1 ZINC000371898992 150110986 /nfs/dbraw/zinc/11/09/86/150110986.db2.gz KCRKYSDXIQXNHU-UHFFFAOYSA-N 1 2 317.345 2.739 20 5 DFBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCOCC4(CCC4)C3)nc2c1 ZINC000371898992 150110987 /nfs/dbraw/zinc/11/09/87/150110987.db2.gz KCRKYSDXIQXNHU-UHFFFAOYSA-N 1 2 317.345 2.739 20 5 DFBDLO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000351608912 286168037 /nfs/dbraw/zinc/16/80/37/286168037.db2.gz JDQMYXDOQCWBLY-LBPRGKRZSA-N 1 2 319.296 2.826 20 5 DFBDLO CCOC(=O)C[C@H](C)[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351730549 286204812 /nfs/dbraw/zinc/20/48/12/286204812.db2.gz PPFIJFWMQOPKRZ-VIFPVBQESA-N 1 2 316.304 2.647 20 5 DFBDLO CCOC(=O)C[C@H](C)[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351730549 286204814 /nfs/dbraw/zinc/20/48/14/286204814.db2.gz PPFIJFWMQOPKRZ-VIFPVBQESA-N 1 2 316.304 2.647 20 5 DFBDLO CCCCC[N@H+](CCO)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352001476 286266367 /nfs/dbraw/zinc/26/63/67/286266367.db2.gz BOAZXXGALUWEDG-UHFFFAOYSA-N 1 2 302.321 2.858 20 5 DFBDLO CCCCC[N@@H+](CCO)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352001476 286266369 /nfs/dbraw/zinc/26/63/69/286266369.db2.gz BOAZXXGALUWEDG-UHFFFAOYSA-N 1 2 302.321 2.858 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H](CO)c2ccsc2)c(F)c1 ZINC000351993576 286263888 /nfs/dbraw/zinc/26/38/88/286263888.db2.gz JMMQCDSOKPVXDG-ZDUSSCGKSA-N 1 2 314.313 2.758 20 5 DFBDLO CCC[NH+](CCC)CCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000352435723 286373280 /nfs/dbraw/zinc/37/32/80/286373280.db2.gz SMAPCBLVEHLLKI-UHFFFAOYSA-N 1 2 323.393 2.542 20 5 DFBDLO Cn1cnnc1C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352566183 286408495 /nfs/dbraw/zinc/40/84/95/286408495.db2.gz CNVOVRMWOGHRRV-KRWDZBQOSA-N 1 2 323.356 2.603 20 5 DFBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000428685794 296712093 /nfs/dbraw/zinc/71/20/93/296712093.db2.gz YCIGZVIXBGWVNJ-UHFFFAOYSA-N 1 2 321.768 2.812 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)N(Cc1ccc(-n3cc[nH+]c3)nc1)CC2 ZINC000182787912 158007577 /nfs/dbraw/zinc/00/75/77/158007577.db2.gz MUEQDHRXIXEACP-UHFFFAOYSA-N 1 2 321.340 2.738 20 5 DFBDLO CCc1c[nH+]ccc1NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000358291048 158368712 /nfs/dbraw/zinc/36/87/12/158368712.db2.gz SHYFUEMUUCJRIY-UHFFFAOYSA-N 1 2 317.370 2.948 20 5 DFBDLO Cc1c(C(=O)NCc2[nH+]ccn2CC(C)C)cccc1[N+](=O)[O-] ZINC000131176122 196146514 /nfs/dbraw/zinc/14/65/14/196146514.db2.gz AJDXRTPUPSXYFO-UHFFFAOYSA-N 1 2 316.361 2.686 20 5 DFBDLO CN(CCCn1cc[nH+]c1)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000133036840 196307080 /nfs/dbraw/zinc/30/70/80/196307080.db2.gz BTKWNFVSRXKADQ-UHFFFAOYSA-N 1 2 311.345 2.866 20 5 DFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000046105763 425864345 /nfs/dbraw/zinc/86/43/45/425864345.db2.gz LEADXQJSGLGNJZ-UHFFFAOYSA-N 1 2 323.312 2.736 20 5 DFBDLO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000037562828 425848635 /nfs/dbraw/zinc/84/86/35/425848635.db2.gz LCNQZKPQJVOLEO-SECBINFHSA-N 1 2 303.347 2.550 20 5 DFBDLO Cc1cc(-n2cc[nH+]c2)ccc1Cn1cc([N+](=O)[O-])c(C)cc1=O ZINC000191566254 268004908 /nfs/dbraw/zinc/00/49/08/268004908.db2.gz IEKOGSWDGAYLKT-UHFFFAOYSA-N 1 2 324.340 2.607 20 5 DFBDLO Cn1c(CCCNc2ncc([N+](=O)[O-])s2)[nH+]c2ccccc21 ZINC000192473771 268038136 /nfs/dbraw/zinc/03/81/36/268038136.db2.gz CCSZNEALYJAUKM-UHFFFAOYSA-N 1 2 317.374 2.983 20 5 DFBDLO COC(=O)c1oc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1C ZINC000192640742 268043693 /nfs/dbraw/zinc/04/36/93/268043693.db2.gz GOFCLNRNWBTXEL-UHFFFAOYSA-N 1 2 318.329 2.915 20 5 DFBDLO COC(=O)c1oc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1C ZINC000192640742 268043694 /nfs/dbraw/zinc/04/36/94/268043694.db2.gz GOFCLNRNWBTXEL-UHFFFAOYSA-N 1 2 318.329 2.915 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331296555 268355979 /nfs/dbraw/zinc/35/59/79/268355979.db2.gz AJZBBFQQKMOJDL-OAHLLOKOSA-N 1 2 308.378 2.850 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000331296555 268355981 /nfs/dbraw/zinc/35/59/81/268355981.db2.gz AJZBBFQQKMOJDL-OAHLLOKOSA-N 1 2 308.378 2.850 20 5 DFBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000126835706 426038375 /nfs/dbraw/zinc/03/83/75/426038375.db2.gz SGXUIHOYPFDKAP-KRWDZBQOSA-N 1 2 314.341 2.874 20 5 DFBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000126835706 426038377 /nfs/dbraw/zinc/03/83/77/426038377.db2.gz SGXUIHOYPFDKAP-KRWDZBQOSA-N 1 2 314.341 2.874 20 5 DFBDLO Cn1cccc1[C@H]1COCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000162472169 426065898 /nfs/dbraw/zinc/06/58/98/426065898.db2.gz ZHRZOXYZTHFISW-QGZVFWFLSA-N 1 2 315.373 2.549 20 5 DFBDLO Cn1cccc1[C@H]1COCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000162472169 426065900 /nfs/dbraw/zinc/06/59/00/426065900.db2.gz ZHRZOXYZTHFISW-QGZVFWFLSA-N 1 2 315.373 2.549 20 5 DFBDLO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000127901214 426092584 /nfs/dbraw/zinc/09/25/84/426092584.db2.gz YEFCWXVDNSVQAE-LBPRGKRZSA-N 1 2 314.345 2.621 20 5 DFBDLO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000127901214 426092589 /nfs/dbraw/zinc/09/25/89/426092589.db2.gz YEFCWXVDNSVQAE-LBPRGKRZSA-N 1 2 314.345 2.621 20 5 DFBDLO C[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000166163909 426125976 /nfs/dbraw/zinc/12/59/76/426125976.db2.gz PDLLXYKLRKSHNH-MXWKQRLJSA-N 1 2 307.350 2.500 20 5 DFBDLO COc1ccc(CNc2ccc(N(C)C)[nH+]c2)cc1[N+](=O)[O-] ZINC000162963700 426085465 /nfs/dbraw/zinc/08/54/65/426085465.db2.gz TVDYLHFGXYLOLD-UHFFFAOYSA-N 1 2 302.334 2.677 20 5 DFBDLO Cc1ccc(C(=O)NCCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000115161304 426155919 /nfs/dbraw/zinc/15/59/19/426155919.db2.gz AMKVKHVCDHBRPQ-UHFFFAOYSA-N 1 2 314.345 2.530 20 5 DFBDLO COc1ccc(C)[nH+]c1NCc1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000150977977 426270438 /nfs/dbraw/zinc/27/04/38/426270438.db2.gz SNSSWJVLGZYAPF-UHFFFAOYSA-N 1 2 319.317 2.633 20 5 DFBDLO CC1(C)C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000089882715 426315759 /nfs/dbraw/zinc/31/57/59/426315759.db2.gz QRCFHFSAFIRNGI-UHFFFAOYSA-N 1 2 317.345 2.861 20 5 DFBDLO CC1(C)C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000089882715 426315762 /nfs/dbraw/zinc/31/57/62/426315762.db2.gz QRCFHFSAFIRNGI-UHFFFAOYSA-N 1 2 317.345 2.861 20 5 DFBDLO Cc1c[nH+]ccc1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000121347807 426336058 /nfs/dbraw/zinc/33/60/58/426336058.db2.gz CZBJGIVIUDIODO-UHFFFAOYSA-N 1 2 300.318 2.662 20 5 DFBDLO Cc1cc(C(=O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(C)[nH]1 ZINC000088606632 426277596 /nfs/dbraw/zinc/27/75/96/426277596.db2.gz VPKIVZWFRFXLBM-UHFFFAOYSA-N 1 2 313.357 2.781 20 5 DFBDLO Cc1cc(C(=O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(C)[nH]1 ZINC000088606632 426277597 /nfs/dbraw/zinc/27/75/97/426277597.db2.gz VPKIVZWFRFXLBM-UHFFFAOYSA-N 1 2 313.357 2.781 20 5 DFBDLO Cc1cc(C)c(NC(=O)COc2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000121426055 426342176 /nfs/dbraw/zinc/34/21/76/426342176.db2.gz AVKUXMVVQNFBTN-UHFFFAOYSA-N 1 2 315.329 2.933 20 5 DFBDLO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1n1cc[nH+]c1 ZINC000123031852 426410710 /nfs/dbraw/zinc/41/07/10/426410710.db2.gz YUUHJOPWVSWKKN-MNOVXSKESA-N 1 2 320.374 2.576 20 5 DFBDLO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000154014750 426419025 /nfs/dbraw/zinc/41/90/25/426419025.db2.gz OZLJMAIQTSQPRU-LBPRGKRZSA-N 1 2 320.736 2.696 20 5 DFBDLO Cc1cc(C)c(NC(=O)COc2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000097076003 426445459 /nfs/dbraw/zinc/44/54/59/426445459.db2.gz IRGBQYVQQGQCPL-UHFFFAOYSA-N 1 2 315.329 2.933 20 5 DFBDLO O=[N+]([O-])c1cccnc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000340793092 269014184 /nfs/dbraw/zinc/01/41/84/269014184.db2.gz HYCYDMIBLJSKLW-UHFFFAOYSA-N 1 2 315.377 2.883 20 5 DFBDLO CCc1nn(C)c(Nc2ccc3c(c2)[nH+]cn3C)c1[N+](=O)[O-] ZINC000288907584 426548582 /nfs/dbraw/zinc/54/85/82/426548582.db2.gz OHQLOXVDGLPGEM-UHFFFAOYSA-N 1 2 300.322 2.521 20 5 DFBDLO O=C(c1csc([N+](=O)[O-])c1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000195142097 426501736 /nfs/dbraw/zinc/50/17/36/426501736.db2.gz XOLXAWCTAJJQMH-JTQLQIEISA-N 1 2 306.347 2.747 20 5 DFBDLO Cc1ccc([C@H](C)[NH2+][C@@H](C(N)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000178690850 426676305 /nfs/dbraw/zinc/67/63/05/426676305.db2.gz VJQBGMBPDBUQAY-BLLLJJGKSA-N 1 2 313.357 2.780 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+](CCO)Cc2ccccc2)c(F)c1 ZINC000267073457 426820162 /nfs/dbraw/zinc/82/01/62/426820162.db2.gz WGBJDOINNGDIRE-UHFFFAOYSA-N 1 2 304.321 2.728 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+](CCO)Cc2ccccc2)c(F)c1 ZINC000267073457 426820166 /nfs/dbraw/zinc/82/01/66/426820166.db2.gz WGBJDOINNGDIRE-UHFFFAOYSA-N 1 2 304.321 2.728 20 5 DFBDLO CC[C@H](NC(=O)CCc1c[nH+]c[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000189480454 426865038 /nfs/dbraw/zinc/86/50/38/426865038.db2.gz AZRBYLXTROLYPZ-AWEZNQCLSA-N 1 2 302.334 2.518 20 5 DFBDLO CC[C@H](NC(=O)CCc1c[nH]c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000189480454 426865042 /nfs/dbraw/zinc/86/50/42/426865042.db2.gz AZRBYLXTROLYPZ-AWEZNQCLSA-N 1 2 302.334 2.518 20 5 DFBDLO C[NH+](C)[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000180771092 426889160 /nfs/dbraw/zinc/88/91/60/426889160.db2.gz OJCHFIDOIBASFM-OAHLLOKOSA-N 1 2 315.329 2.542 20 5 DFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1noc(C2CC2)n1 ZINC000282417550 426906949 /nfs/dbraw/zinc/90/69/49/426906949.db2.gz JBIQZAYQVCQDAA-UHFFFAOYSA-N 1 2 302.334 2.530 20 5 DFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1noc(C2CC2)n1 ZINC000282417550 426906957 /nfs/dbraw/zinc/90/69/57/426906957.db2.gz JBIQZAYQVCQDAA-UHFFFAOYSA-N 1 2 302.334 2.530 20 5 DFBDLO CCN(CC)c1ccc(CNc2ncc([N+](=O)[O-])c(C)n2)c[nH+]1 ZINC000295518480 426990373 /nfs/dbraw/zinc/99/03/73/426990373.db2.gz MBNKICKMVXXRRK-UHFFFAOYSA-N 1 2 316.365 2.547 20 5 DFBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2csc([N+](=O)[O-])c2)CC1(C)C ZINC000295368670 426930113 /nfs/dbraw/zinc/93/01/13/426930113.db2.gz CWSXCXUQINAYKX-NSHDSACASA-N 1 2 320.374 2.613 20 5 DFBDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000248896441 427061134 /nfs/dbraw/zinc/06/11/34/427061134.db2.gz ZXZIIZNISWGHPE-DZKIICNBSA-N 1 2 318.373 2.677 20 5 DFBDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000248896441 427061144 /nfs/dbraw/zinc/06/11/44/427061144.db2.gz ZXZIIZNISWGHPE-DZKIICNBSA-N 1 2 318.373 2.677 20 5 DFBDLO CC(C)c1nnc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])[nH]1 ZINC000292072499 427081196 /nfs/dbraw/zinc/08/11/96/427081196.db2.gz DTQLVQSLDQKJHN-UHFFFAOYSA-N 1 2 303.366 2.861 20 5 DFBDLO Cc1ccc([C@H](C)[NH2+][C@H](C)c2nnnn2C2CC2)cc1[N+](=O)[O-] ZINC000190619228 427147204 /nfs/dbraw/zinc/14/72/04/427147204.db2.gz KPCJOGOBVPUUAT-WDEREUQCSA-N 1 2 316.365 2.636 20 5 DFBDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000250433974 427156653 /nfs/dbraw/zinc/15/66/53/427156653.db2.gz VCIBEXRRGASKHN-XQQFMLRXSA-N 1 2 324.402 2.962 20 5 DFBDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000250433974 427156659 /nfs/dbraw/zinc/15/66/59/427156659.db2.gz VCIBEXRRGASKHN-XQQFMLRXSA-N 1 2 324.402 2.962 20 5 DFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(C(C)(C)C)no1 ZINC000285403049 427221947 /nfs/dbraw/zinc/22/19/47/427221947.db2.gz UEQBLUKGIDZKTQ-UHFFFAOYSA-N 1 2 318.377 2.950 20 5 DFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(C(C)(C)C)no1 ZINC000285403049 427221954 /nfs/dbraw/zinc/22/19/54/427221954.db2.gz UEQBLUKGIDZKTQ-UHFFFAOYSA-N 1 2 318.377 2.950 20 5 DFBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nnc(C3CC3)[nH]2)cc1[N+](=O)[O-] ZINC000183230888 427228990 /nfs/dbraw/zinc/22/89/90/427228990.db2.gz DFSXRWYWRKLZJW-SNVBAGLBSA-N 1 2 301.350 2.750 20 5 DFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000330617849 427276676 /nfs/dbraw/zinc/27/66/76/427276676.db2.gz GSFWUXMYKRJDKR-STQMWFEESA-N 1 2 308.378 2.991 20 5 DFBDLO CCOc1cc(C[N@@H+]2C[C@@H](C)OC[C@@H]2CC)ccc1[N+](=O)[O-] ZINC000331132981 427353128 /nfs/dbraw/zinc/35/31/28/427353128.db2.gz BRRFHVSHEZOHAD-OCCSQVGLSA-N 1 2 308.378 2.993 20 5 DFBDLO CCOc1cc(C[N@H+]2C[C@@H](C)OC[C@@H]2CC)ccc1[N+](=O)[O-] ZINC000331132981 427353136 /nfs/dbraw/zinc/35/31/36/427353136.db2.gz BRRFHVSHEZOHAD-OCCSQVGLSA-N 1 2 308.378 2.993 20 5 DFBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H](CO)C(C)(C)C ZINC000285764946 427330468 /nfs/dbraw/zinc/33/04/68/427330468.db2.gz WHXACFPIAHXMDC-CYBMUJFWSA-N 1 2 302.321 2.712 20 5 DFBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H](CO)C(C)(C)C ZINC000285764946 427330472 /nfs/dbraw/zinc/33/04/72/427330472.db2.gz WHXACFPIAHXMDC-CYBMUJFWSA-N 1 2 302.321 2.712 20 5 DFBDLO COc1cc(C[N@H+](C)CCF)c([N+](=O)[O-])cc1OCC(F)F ZINC000293590948 427373078 /nfs/dbraw/zinc/37/30/78/427373078.db2.gz IMLPWAWEWXHGGK-UHFFFAOYSA-N 1 2 322.283 2.649 20 5 DFBDLO COc1cc(C[N@@H+](C)CCF)c([N+](=O)[O-])cc1OCC(F)F ZINC000293590948 427373082 /nfs/dbraw/zinc/37/30/82/427373082.db2.gz IMLPWAWEWXHGGK-UHFFFAOYSA-N 1 2 322.283 2.649 20 5 DFBDLO CCC[C@](C)([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(=O)OC ZINC000184046853 427382418 /nfs/dbraw/zinc/38/24/18/427382418.db2.gz SNMSMWNMMGXQTB-DYLHUKMJSA-N 1 2 306.362 2.929 20 5 DFBDLO COc1cc(C(=O)Nc2cc[nH+]c(C)c2)cc([N+](=O)[O-])c1C ZINC000191633199 427393072 /nfs/dbraw/zinc/39/30/72/427393072.db2.gz NPOHHCFGFJUYED-UHFFFAOYSA-N 1 2 301.302 2.868 20 5 DFBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000278147573 427419146 /nfs/dbraw/zinc/41/91/46/427419146.db2.gz BURZTXWFVJHSEX-CYBMUJFWSA-N 1 2 309.322 2.504 20 5 DFBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000278147573 427419151 /nfs/dbraw/zinc/41/91/51/427419151.db2.gz BURZTXWFVJHSEX-CYBMUJFWSA-N 1 2 309.322 2.504 20 5 DFBDLO COC(=O)[C@@H](C)[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCC1 ZINC000191652738 427397417 /nfs/dbraw/zinc/39/74/17/427397417.db2.gz QUPAECAIULUNCN-LLVKDONJSA-N 1 2 322.361 2.519 20 5 DFBDLO COC(=O)[C@@H](C)[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCC1 ZINC000191652738 427397428 /nfs/dbraw/zinc/39/74/28/427397428.db2.gz QUPAECAIULUNCN-LLVKDONJSA-N 1 2 322.361 2.519 20 5 DFBDLO COc1cc(C[N@@H+]2CCSC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000184220048 427419654 /nfs/dbraw/zinc/41/96/54/427419654.db2.gz UHAYRTIMEYTMKD-SECBINFHSA-N 1 2 300.355 2.680 20 5 DFBDLO COc1cc(C[N@H+]2CCSC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000184220048 427419661 /nfs/dbraw/zinc/41/96/61/427419661.db2.gz UHAYRTIMEYTMKD-SECBINFHSA-N 1 2 300.355 2.680 20 5 DFBDLO COc1cc(C[N@@H+]2CCS[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000184200364 427414281 /nfs/dbraw/zinc/41/42/81/427414281.db2.gz YSTKFTLQFTUBRM-SECBINFHSA-N 1 2 300.355 2.680 20 5 DFBDLO COc1cc(C[N@H+]2CCS[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000184200364 427414286 /nfs/dbraw/zinc/41/42/86/427414286.db2.gz YSTKFTLQFTUBRM-SECBINFHSA-N 1 2 300.355 2.680 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000331169681 427362192 /nfs/dbraw/zinc/36/21/92/427362192.db2.gz NRLGMLPOMQUSJS-JTQLQIEISA-N 1 2 320.315 2.739 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000331169681 427362194 /nfs/dbraw/zinc/36/21/94/427362194.db2.gz NRLGMLPOMQUSJS-JTQLQIEISA-N 1 2 320.315 2.739 20 5 DFBDLO Cn1cc([C@@H]2CSCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000191743003 427418284 /nfs/dbraw/zinc/41/82/84/427418284.db2.gz OTVJLDWZSAKGNI-HNNXBMFYSA-N 1 2 318.402 2.618 20 5 DFBDLO Cn1cc([C@@H]2CSCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000191743003 427418290 /nfs/dbraw/zinc/41/82/90/427418290.db2.gz OTVJLDWZSAKGNI-HNNXBMFYSA-N 1 2 318.402 2.618 20 5 DFBDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000331873777 427485857 /nfs/dbraw/zinc/48/58/57/427485857.db2.gz VFKJJAMLDBDDKH-OAHLLOKOSA-N 1 2 316.361 2.977 20 5 DFBDLO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000331873777 427485863 /nfs/dbraw/zinc/48/58/63/427485863.db2.gz VFKJJAMLDBDDKH-OAHLLOKOSA-N 1 2 316.361 2.977 20 5 DFBDLO CC1(C)C[C@@H]([NH2+]CC(F)(F)CO)c2cc([N+](=O)[O-])ccc21 ZINC000278987302 427524690 /nfs/dbraw/zinc/52/46/90/427524690.db2.gz DLPRJSLFUSCKMB-GFCCVEGCSA-N 1 2 300.305 2.534 20 5 DFBDLO C[C@H]1SCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1C ZINC000332231255 427553553 /nfs/dbraw/zinc/55/35/53/427553553.db2.gz OLONMVZCBWMEDV-NXEZZACHSA-N 1 2 306.391 2.797 20 5 DFBDLO C[C@H]1SCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1C ZINC000332231255 427553561 /nfs/dbraw/zinc/55/35/61/427553561.db2.gz OLONMVZCBWMEDV-NXEZZACHSA-N 1 2 306.391 2.797 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000192806588 427616412 /nfs/dbraw/zinc/61/64/12/427616412.db2.gz OIZCXUBZDOVUTN-UHFFFAOYSA-N 1 2 324.340 2.523 20 5 DFBDLO CCn1nc(C)c([N+](=O)[O-])c1NCc1cn2c(cccc2C)[nH+]1 ZINC000192584890 427568585 /nfs/dbraw/zinc/56/85/85/427568585.db2.gz VRTNPRIHASDNLL-UHFFFAOYSA-N 1 2 314.349 2.688 20 5 DFBDLO CCc1cc(=O)[nH]c(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000271756047 427586722 /nfs/dbraw/zinc/58/67/22/427586722.db2.gz OACZLLMAFYOLSX-SNVBAGLBSA-N 1 2 302.334 2.504 20 5 DFBDLO O=[N+]([O-])c1cn(Cc2[nH+]ccn2Cc2ccccc2)nc1C1CC1 ZINC000185176781 427609233 /nfs/dbraw/zinc/60/92/33/427609233.db2.gz FQGCDXKXTWIILN-UHFFFAOYSA-N 1 2 323.356 2.962 20 5 DFBDLO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339037380 427639782 /nfs/dbraw/zinc/63/97/82/427639782.db2.gz KXHSIWCVBXRHDR-PXAZEXFGSA-N 1 2 322.405 2.967 20 5 DFBDLO COc1cc(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000279332211 427643850 /nfs/dbraw/zinc/64/38/50/427643850.db2.gz OWMCXYIRXBATSE-MGPLVRAMSA-N 1 2 324.352 2.742 20 5 DFBDLO COc1cc(C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000279332211 427643855 /nfs/dbraw/zinc/64/38/55/427643855.db2.gz OWMCXYIRXBATSE-MGPLVRAMSA-N 1 2 324.352 2.742 20 5 DFBDLO COc1cc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000279332215 427643939 /nfs/dbraw/zinc/64/39/39/427643939.db2.gz OWMCXYIRXBATSE-QFYYESIMSA-N 1 2 324.352 2.742 20 5 DFBDLO COc1cc(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000279332215 427643943 /nfs/dbraw/zinc/64/39/43/427643943.db2.gz OWMCXYIRXBATSE-QFYYESIMSA-N 1 2 324.352 2.742 20 5 DFBDLO CCOC(=O)C[C@](C)([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC000339089763 427673242 /nfs/dbraw/zinc/67/32/42/427673242.db2.gz BBOLBPOZEUGIBM-INIZCTEOSA-N 1 2 324.377 2.758 20 5 DFBDLO COc1cc(NCCNc2cccc[nH+]2)c([N+](=O)[O-])cc1F ZINC000343866123 272231247 /nfs/dbraw/zinc/23/12/47/272231247.db2.gz SRFRWIWNBNGKBV-UHFFFAOYSA-N 1 2 306.297 2.662 20 5 DFBDLO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(F)(F)CO ZINC000344110093 272265800 /nfs/dbraw/zinc/26/58/00/272265800.db2.gz OYAJYHMDZHSQFW-JTQLQIEISA-N 1 2 320.361 2.683 20 5 DFBDLO C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000344270600 272301741 /nfs/dbraw/zinc/30/17/41/272301741.db2.gz QFLFCAHYHDXEDO-JTQLQIEISA-N 1 2 322.315 2.689 20 5 DFBDLO C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000344270600 272301744 /nfs/dbraw/zinc/30/17/44/272301744.db2.gz QFLFCAHYHDXEDO-JTQLQIEISA-N 1 2 322.315 2.689 20 5 DFBDLO COc1c(O)cccc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000272240441 427681804 /nfs/dbraw/zinc/68/18/04/427681804.db2.gz GKAFKNIVCNIYQV-UHFFFAOYSA-N 1 2 302.330 2.941 20 5 DFBDLO COc1c(O)cccc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000272240441 427681808 /nfs/dbraw/zinc/68/18/08/427681808.db2.gz GKAFKNIVCNIYQV-UHFFFAOYSA-N 1 2 302.330 2.941 20 5 DFBDLO CC1(C)C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]2CCC[C@@H]2O1 ZINC000339161587 427710404 /nfs/dbraw/zinc/71/04/04/427710404.db2.gz STYDLEVIYIYGMX-CABCVRRESA-N 1 2 306.362 2.832 20 5 DFBDLO CC1(C)C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]2CCC[C@@H]2O1 ZINC000339161587 427710408 /nfs/dbraw/zinc/71/04/08/427710408.db2.gz STYDLEVIYIYGMX-CABCVRRESA-N 1 2 306.362 2.832 20 5 DFBDLO COc1ccc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1[N+](=O)[O-] ZINC000193863903 427720548 /nfs/dbraw/zinc/72/05/48/427720548.db2.gz ZVNCWRMEBPJFKI-ZDUSSCGKSA-N 1 2 316.361 2.706 20 5 DFBDLO COc1ccc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1[N+](=O)[O-] ZINC000193863903 427720550 /nfs/dbraw/zinc/72/05/50/427720550.db2.gz ZVNCWRMEBPJFKI-ZDUSSCGKSA-N 1 2 316.361 2.706 20 5 DFBDLO O=[N+]([O-])c1cccc(CNc2cc(N3CCCCC3)nc[nH+]2)c1 ZINC000301226361 427783212 /nfs/dbraw/zinc/78/32/12/427783212.db2.gz DXIGBCASANKJED-UHFFFAOYSA-N 1 2 313.361 2.987 20 5 DFBDLO O=[N+]([O-])c1cccc(CNc2cc(N3CCCCC3)[nH+]cn2)c1 ZINC000301226361 427783215 /nfs/dbraw/zinc/78/32/15/427783215.db2.gz DXIGBCASANKJED-UHFFFAOYSA-N 1 2 313.361 2.987 20 5 DFBDLO CC[C@H](CCO)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301330992 427789506 /nfs/dbraw/zinc/78/95/06/427789506.db2.gz DOMMFYPNSZKIGD-CYBMUJFWSA-N 1 2 316.361 2.933 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000301516903 427801609 /nfs/dbraw/zinc/80/16/09/427801609.db2.gz GOVCIKIHAGJSJW-LBPRGKRZSA-N 1 2 320.418 2.517 20 5 DFBDLO COc1cc(N2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1[N+](=O)[O-] ZINC000301627802 427810868 /nfs/dbraw/zinc/81/08/68/427810868.db2.gz HLZMGQGBBZNWCA-AWEZNQCLSA-N 1 2 315.329 2.656 20 5 DFBDLO C[C@@H](O)C[C@H]1CCCN1c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413201901 427989000 /nfs/dbraw/zinc/98/90/00/427989000.db2.gz KWOOONGNOSSMCC-DGCLKSJQSA-N 1 2 301.346 2.883 20 5 DFBDLO CC(C)c1nnc(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)[nH]1 ZINC000413327940 428021884 /nfs/dbraw/zinc/02/18/84/428021884.db2.gz MVOYBWOEBACKAE-UHFFFAOYSA-N 1 2 312.333 2.997 20 5 DFBDLO CC(C)c1nc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc[nH+]1 ZINC000369641990 428023384 /nfs/dbraw/zinc/02/33/84/428023384.db2.gz WLJJYBDPCROPBQ-UHFFFAOYSA-N 1 2 316.365 2.546 20 5 DFBDLO Cc1ccc(Cc2noc(-c3cc([N+](=O)[O-])cnc3C)n2)c[nH+]1 ZINC000356114682 428027911 /nfs/dbraw/zinc/02/79/11/428027911.db2.gz SGJBRYMCNWCJPT-UHFFFAOYSA-N 1 2 311.301 2.642 20 5 DFBDLO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccc3cn[nH]c3c2)c(F)c1 ZINC000341253110 428029398 /nfs/dbraw/zinc/02/93/98/428029398.db2.gz JNNLGCLCJIGDRU-UHFFFAOYSA-N 1 2 314.320 2.943 20 5 DFBDLO O=[N+]([O-])c1ccn(C2CCN(c3cc[nH+]c4ccncc43)CC2)n1 ZINC000369692753 428037219 /nfs/dbraw/zinc/03/72/19/428037219.db2.gz KIQYVXUEOHDLJP-UHFFFAOYSA-N 1 2 324.344 2.576 20 5 DFBDLO CC(C)Cn1cc[nH+]c1CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000356166158 428049435 /nfs/dbraw/zinc/04/94/35/428049435.db2.gz KPIWYLCEHGHXRM-UHFFFAOYSA-N 1 2 307.329 2.781 20 5 DFBDLO Cc1cccc2[nH+]c(CNc3ccc([N+](=O)[O-])c(N)c3F)cn21 ZINC000356170571 428051744 /nfs/dbraw/zinc/05/17/44/428051744.db2.gz OQNAMZXAJFZWRW-UHFFFAOYSA-N 1 2 315.308 2.884 20 5 DFBDLO CC(C)n1ncnc1CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413264657 428005032 /nfs/dbraw/zinc/00/50/32/428005032.db2.gz JULGVTXPRRQAOJ-UHFFFAOYSA-N 1 2 312.333 2.928 20 5 DFBDLO Cc1cc(N[C@H](C)[C@H](C)[NH+]2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000359909290 428072143 /nfs/dbraw/zinc/07/21/43/428072143.db2.gz HWECTOWIBWJJHO-NEPJUHHUSA-N 1 2 311.357 2.563 20 5 DFBDLO CC(C)c1ccc(CNc2ccc(CO)c[nH+]2)cc1[N+](=O)[O-] ZINC000356275508 428101938 /nfs/dbraw/zinc/10/19/38/428101938.db2.gz GEJNGPLASJFBTL-UHFFFAOYSA-N 1 2 301.346 3.218 20 5 DFBDLO Cc1cc(NCCCCF)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000359980228 428103994 /nfs/dbraw/zinc/10/39/94/428103994.db2.gz BHXFPTYXLBLHSM-UHFFFAOYSA-N 1 2 304.325 2.944 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@]2(CCOC2)O1 ZINC000370157554 428145938 /nfs/dbraw/zinc/14/59/38/428145938.db2.gz AQGVAHJQJJGPNM-CJNGLKHVSA-N 1 2 324.352 2.504 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@]2(CCOC2)O1 ZINC000370157554 428145942 /nfs/dbraw/zinc/14/59/42/428145942.db2.gz AQGVAHJQJJGPNM-CJNGLKHVSA-N 1 2 324.352 2.504 20 5 DFBDLO CCOC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C(C)(C)C ZINC000352533989 428140094 /nfs/dbraw/zinc/14/00/94/428140094.db2.gz BWRXFDMLIPIWQC-UHFFFAOYSA-N 1 2 324.377 2.767 20 5 DFBDLO CCOC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C(C)(C)C ZINC000352533989 428140099 /nfs/dbraw/zinc/14/00/99/428140099.db2.gz BWRXFDMLIPIWQC-UHFFFAOYSA-N 1 2 324.377 2.767 20 5 DFBDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356387061 428156840 /nfs/dbraw/zinc/15/68/40/428156840.db2.gz HHNGNDRSZNLERN-UHFFFAOYSA-N 1 2 324.296 2.738 20 5 DFBDLO COc1cc(C[N@@H+]2CCOCC23CCCC3)ccc1[N+](=O)[O-] ZINC000352766252 428236529 /nfs/dbraw/zinc/23/65/29/428236529.db2.gz BGXAMZSZDBSQLL-UHFFFAOYSA-N 1 2 306.362 2.748 20 5 DFBDLO COc1cc(C[N@H+]2CCOCC23CCCC3)ccc1[N+](=O)[O-] ZINC000352766252 428236537 /nfs/dbraw/zinc/23/65/37/428236537.db2.gz BGXAMZSZDBSQLL-UHFFFAOYSA-N 1 2 306.362 2.748 20 5 DFBDLO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@@H](O)CC3CCCC3)C2)cc1 ZINC000352884770 428295823 /nfs/dbraw/zinc/29/58/23/428295823.db2.gz UWBSIICGTTZWBT-HNNXBMFYSA-N 1 2 320.389 2.599 20 5 DFBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCOc1ccccc1F)CC2 ZINC000353004791 428347329 /nfs/dbraw/zinc/34/73/29/428347329.db2.gz NBDFGWJNFKOEQG-UHFFFAOYSA-N 1 2 317.320 2.566 20 5 DFBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCOc1ccccc1F)CC2 ZINC000353004791 428347335 /nfs/dbraw/zinc/34/73/35/428347335.db2.gz NBDFGWJNFKOEQG-UHFFFAOYSA-N 1 2 317.320 2.566 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000407990442 428587898 /nfs/dbraw/zinc/58/78/98/428587898.db2.gz OJSJMHVEXCWXDZ-UHFFFAOYSA-N 1 2 306.362 2.836 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCOC2(CCCCC2)C1 ZINC000407990442 428587901 /nfs/dbraw/zinc/58/79/01/428587901.db2.gz OJSJMHVEXCWXDZ-UHFFFAOYSA-N 1 2 306.362 2.836 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000408352535 428645835 /nfs/dbraw/zinc/64/58/35/428645835.db2.gz RHLHQEGQOWIANK-NJKWTTEGSA-N 1 2 310.419 2.806 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000408352535 428645841 /nfs/dbraw/zinc/64/58/41/428645841.db2.gz RHLHQEGQOWIANK-NJKWTTEGSA-N 1 2 310.419 2.806 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000408352536 428646972 /nfs/dbraw/zinc/64/69/72/428646972.db2.gz RHLHQEGQOWIANK-UPJWGTAASA-N 1 2 310.419 2.806 20 5 DFBDLO COc1cc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000348250156 428680827 /nfs/dbraw/zinc/68/08/27/428680827.db2.gz XODBUQFPIIJOJI-ZBEGNZNMSA-N 1 2 306.362 2.603 20 5 DFBDLO COc1cc(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000348250156 428680834 /nfs/dbraw/zinc/68/08/34/428680834.db2.gz XODBUQFPIIJOJI-ZBEGNZNMSA-N 1 2 306.362 2.603 20 5 DFBDLO Cc1[nH+]c2n(c1C)CCN(Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000374877540 428774301 /nfs/dbraw/zinc/77/43/01/428774301.db2.gz OKUMNAYCUHVWEB-UHFFFAOYSA-N 1 2 304.325 2.563 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000375914944 429017737 /nfs/dbraw/zinc/01/77/37/429017737.db2.gz AUYMRDLETMXLOM-ZBEGNZNMSA-N 1 2 306.362 2.603 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000375914944 429017740 /nfs/dbraw/zinc/01/77/40/429017740.db2.gz AUYMRDLETMXLOM-ZBEGNZNMSA-N 1 2 306.362 2.603 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@]3(CCOC3)C2)c(F)c1 ZINC000451910664 429017984 /nfs/dbraw/zinc/01/79/84/429017984.db2.gz OGLIVOOLYSJXGK-HNNXBMFYSA-N 1 2 312.316 2.876 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@]3(CCOC3)C2)c(F)c1 ZINC000451910664 429017985 /nfs/dbraw/zinc/01/79/85/429017985.db2.gz OGLIVOOLYSJXGK-HNNXBMFYSA-N 1 2 312.316 2.876 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000421797063 429033776 /nfs/dbraw/zinc/03/37/76/429033776.db2.gz RKCBUUCELPECKY-ZDUSSCGKSA-N 1 2 314.345 2.912 20 5 DFBDLO Cc1nc([C@@H]2CCC[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)no1 ZINC000363852695 428999748 /nfs/dbraw/zinc/99/97/48/428999748.db2.gz ZDMZFLXQJOAZEC-AWEZNQCLSA-N 1 2 318.333 2.502 20 5 DFBDLO Cc1nc([C@@H]2CCC[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)no1 ZINC000363852695 428999755 /nfs/dbraw/zinc/99/97/55/428999755.db2.gz ZDMZFLXQJOAZEC-AWEZNQCLSA-N 1 2 318.333 2.502 20 5 DFBDLO Cc1c(CC(=O)Nc2c[nH+]c3n2CCCC3)cccc1[N+](=O)[O-] ZINC000452335186 429096927 /nfs/dbraw/zinc/09/69/27/429096927.db2.gz PRQSWVDQXLPWEL-UHFFFAOYSA-N 1 2 314.345 2.617 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@@H]3CCc4n[nH]cc4C3)c2c1 ZINC000413139756 429145802 /nfs/dbraw/zinc/14/58/02/429145802.db2.gz KRESCDWQCXPDOU-GFCCVEGCSA-N 1 2 309.329 2.836 20 5 DFBDLO NC(=O)[C@H]1CCC[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413155091 429150890 /nfs/dbraw/zinc/15/08/90/429150890.db2.gz PDFXTUDEWFQHOS-RYUDHWBXSA-N 1 2 314.345 2.599 20 5 DFBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2ccc([N+](=O)[O-])s2)CC1(C)C ZINC000452451670 429116038 /nfs/dbraw/zinc/11/60/38/429116038.db2.gz MKYNCQPJIKWURY-LLVKDONJSA-N 1 2 320.374 2.613 20 5 DFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000456350346 429284428 /nfs/dbraw/zinc/28/44/28/429284428.db2.gz JSWAHXFKAQLPRQ-SECBINFHSA-N 1 2 322.752 2.956 20 5 DFBDLO CC[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1[nH]cc[nH+]1 ZINC000442825367 429236687 /nfs/dbraw/zinc/23/66/87/429236687.db2.gz VEQHIMSZTQQWBM-GFCCVEGCSA-N 1 2 313.317 2.680 20 5 DFBDLO CC[N@H+](CCCNc1ncc([N+](=O)[O-])s1)c1ccccc1 ZINC000443425837 429249627 /nfs/dbraw/zinc/24/96/27/429249627.db2.gz BSHXUDZPWKSZMI-UHFFFAOYSA-N 1 2 306.391 3.380 20 5 DFBDLO CC[N@@H+](CCCNc1ncc([N+](=O)[O-])s1)c1ccccc1 ZINC000443425837 429249629 /nfs/dbraw/zinc/24/96/29/429249629.db2.gz BSHXUDZPWKSZMI-UHFFFAOYSA-N 1 2 306.391 3.380 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)OC[C@H]1CC ZINC000505617474 429342201 /nfs/dbraw/zinc/34/22/01/429342201.db2.gz ZBABVKRFDRHWMC-TZMCWYRMSA-N 1 2 308.378 2.993 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)OC[C@H]1CC ZINC000505617474 429342203 /nfs/dbraw/zinc/34/22/03/429342203.db2.gz ZBABVKRFDRHWMC-TZMCWYRMSA-N 1 2 308.378 2.993 20 5 DFBDLO Cc1sc(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000456400237 429298350 /nfs/dbraw/zinc/29/83/50/429298350.db2.gz VECOPFPCKPLYLB-VXNVDRBHSA-N 1 2 306.347 2.597 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456404119 429299257 /nfs/dbraw/zinc/29/92/57/429299257.db2.gz WYLZWAAMQPQOJF-GXFFZTMASA-N 1 2 300.318 2.536 20 5 DFBDLO Cc1csc([C@@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)n1 ZINC000365715474 429362959 /nfs/dbraw/zinc/36/29/59/429362959.db2.gz AFWRELWKVXQEJT-ZDUSSCGKSA-N 1 2 321.406 2.783 20 5 DFBDLO Cc1csc([C@@H]2CCCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)n1 ZINC000365715474 429362962 /nfs/dbraw/zinc/36/29/62/429362962.db2.gz AFWRELWKVXQEJT-ZDUSSCGKSA-N 1 2 321.406 2.783 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000449573784 429451537 /nfs/dbraw/zinc/45/15/37/429451537.db2.gz SCEXTDSYVMKWLV-FZMZJTMJSA-N 1 2 316.361 2.986 20 5 DFBDLO CC/C=C/C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000449452353 429422299 /nfs/dbraw/zinc/42/22/99/429422299.db2.gz FTTJBSGKYOBIOE-MBVDDHJVSA-N 1 2 300.362 2.974 20 5 DFBDLO O=[N+]([O-])c1ccc(Cl)cc1NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000367425396 429645949 /nfs/dbraw/zinc/64/59/49/429645949.db2.gz DKPDKLVQIMAYOZ-GFCCVEGCSA-N 1 2 311.769 2.523 20 5 DFBDLO O=[N+]([O-])c1ccc(Cl)cc1NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000367425396 429645953 /nfs/dbraw/zinc/64/59/53/429645953.db2.gz DKPDKLVQIMAYOZ-GFCCVEGCSA-N 1 2 311.769 2.523 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC[C@H]1CC(C)C ZINC000430192971 429661702 /nfs/dbraw/zinc/66/17/02/429661702.db2.gz DXLXJIMLRMFGDF-OAHLLOKOSA-N 1 2 308.378 2.850 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC[C@H]1CC(C)C ZINC000430192971 429661703 /nfs/dbraw/zinc/66/17/03/429661703.db2.gz DXLXJIMLRMFGDF-OAHLLOKOSA-N 1 2 308.378 2.850 20 5 DFBDLO COC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C1CCCC1 ZINC000430212994 429664285 /nfs/dbraw/zinc/66/42/85/429664285.db2.gz AAJIUMNWHOKJFK-UHFFFAOYSA-N 1 2 322.361 2.521 20 5 DFBDLO COC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C1CCCC1 ZINC000430212994 429664290 /nfs/dbraw/zinc/66/42/90/429664290.db2.gz AAJIUMNWHOKJFK-UHFFFAOYSA-N 1 2 322.361 2.521 20 5 DFBDLO CC(C)c1ccc(C[N@@H+]2CC[S@](=O)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000365445217 276053118 /nfs/dbraw/zinc/05/31/18/276053118.db2.gz CADHYSAZSCNXAS-XMHCIUCPSA-N 1 2 324.446 2.919 20 5 DFBDLO CC(C)c1ccc(C[N@H+]2CC[S@](=O)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000365445217 276053121 /nfs/dbraw/zinc/05/31/21/276053121.db2.gz CADHYSAZSCNXAS-XMHCIUCPSA-N 1 2 324.446 2.919 20 5 DFBDLO CC(C)c1ccc(C[N@@H+]2CC[S@@](=O)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000365445216 276053211 /nfs/dbraw/zinc/05/32/11/276053211.db2.gz CADHYSAZSCNXAS-WHEQGISXSA-N 1 2 324.446 2.919 20 5 DFBDLO CC(C)c1ccc(C[N@H+]2CC[S@@](=O)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000365445216 276053213 /nfs/dbraw/zinc/05/32/13/276053213.db2.gz CADHYSAZSCNXAS-WHEQGISXSA-N 1 2 324.446 2.919 20 5 DFBDLO CC[C@@H]([NH2+]Cc1nccc(OC)n1)c1cccc([N+](=O)[O-])c1 ZINC000450678674 429676557 /nfs/dbraw/zinc/67/65/57/429676557.db2.gz IIQGWRQKDRIYCO-CYBMUJFWSA-N 1 2 302.334 2.634 20 5 DFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCSC[C@H]1CCO ZINC000493074047 429683266 /nfs/dbraw/zinc/68/32/66/429683266.db2.gz BWMZDJSTUTUESP-SNVBAGLBSA-N 1 2 316.810 2.548 20 5 DFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCSC[C@H]1CCO ZINC000493074047 429683272 /nfs/dbraw/zinc/68/32/72/429683272.db2.gz BWMZDJSTUTUESP-SNVBAGLBSA-N 1 2 316.810 2.548 20 5 DFBDLO C[C@@H]1C[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)c2[nH+]ccn21 ZINC000450825179 429706491 /nfs/dbraw/zinc/70/64/91/429706491.db2.gz XWBKQLFJOMZTLZ-APPZFPTMSA-N 1 2 316.346 2.914 20 5 DFBDLO C[C@@]1(F)CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000451110623 429769553 /nfs/dbraw/zinc/76/95/53/429769553.db2.gz COVRYYMXGSARHZ-GDBMZVCRSA-N 1 2 321.352 2.524 20 5 DFBDLO C[C@@]1(F)CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000451110623 429769556 /nfs/dbraw/zinc/76/95/56/429769556.db2.gz COVRYYMXGSARHZ-GDBMZVCRSA-N 1 2 321.352 2.524 20 5 DFBDLO CCc1nc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451545110 429850523 /nfs/dbraw/zinc/85/05/23/429850523.db2.gz GEOPZUQWOPQTLR-ZDUSSCGKSA-N 1 2 316.361 2.920 20 5 DFBDLO CCc1nc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451545110 429850525 /nfs/dbraw/zinc/85/05/25/429850525.db2.gz GEOPZUQWOPQTLR-ZDUSSCGKSA-N 1 2 316.361 2.920 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+](CCO)Cc1cccc(F)c1 ZINC000494221834 429860530 /nfs/dbraw/zinc/86/05/30/429860530.db2.gz ALTLHAKLPNAOAP-UHFFFAOYSA-N 1 2 322.311 2.868 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+](CCO)Cc1cccc(F)c1 ZINC000494221834 429860533 /nfs/dbraw/zinc/86/05/33/429860533.db2.gz ALTLHAKLPNAOAP-UHFFFAOYSA-N 1 2 322.311 2.868 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@](F)(c2ccc(F)cc2)C1 ZINC000368526542 429861527 /nfs/dbraw/zinc/86/15/27/429861527.db2.gz INAZPUCSGJELSQ-HNNXBMFYSA-N 1 2 322.315 2.538 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@](F)(c2ccc(F)cc2)C1 ZINC000368526542 429861530 /nfs/dbraw/zinc/86/15/30/429861530.db2.gz INAZPUCSGJELSQ-HNNXBMFYSA-N 1 2 322.315 2.538 20 5 DFBDLO CCc1nc([C@@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)no1 ZINC000368679922 429886572 /nfs/dbraw/zinc/88/65/72/429886572.db2.gz HZANLPQQBNTVHS-AWEZNQCLSA-N 1 2 316.361 2.920 20 5 DFBDLO CCc1nc([C@@H]2CCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)no1 ZINC000368679922 429886574 /nfs/dbraw/zinc/88/65/74/429886574.db2.gz HZANLPQQBNTVHS-AWEZNQCLSA-N 1 2 316.361 2.920 20 5 DFBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)c1 ZINC000369017881 429907300 /nfs/dbraw/zinc/90/73/00/429907300.db2.gz QITULYDKPOOCRQ-GFCCVEGCSA-N 1 2 322.315 2.907 20 5 DFBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)c1 ZINC000369017881 429907302 /nfs/dbraw/zinc/90/73/02/429907302.db2.gz QITULYDKPOOCRQ-GFCCVEGCSA-N 1 2 322.315 2.907 20 5 DFBDLO Cc1ccc(Cn2c(=O)c([N+](=O)[O-])cc3c2CCCC3)c(C)[nH+]1 ZINC000569723842 430480881 /nfs/dbraw/zinc/48/08/81/430480881.db2.gz SAVROZBNQMVFJN-UHFFFAOYSA-N 1 2 313.357 2.695 20 5 DFBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1NCC[N@@H+]1CCO[C@H](C)C1 ZINC000584211283 430470030 /nfs/dbraw/zinc/47/00/30/430470030.db2.gz QJQWKDDNWKXFGH-LLVKDONJSA-N 1 2 313.785 2.689 20 5 DFBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1NCC[N@H+]1CCO[C@H](C)C1 ZINC000584211283 430470032 /nfs/dbraw/zinc/47/00/32/430470032.db2.gz QJQWKDDNWKXFGH-LLVKDONJSA-N 1 2 313.785 2.689 20 5 DFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000548603372 430485245 /nfs/dbraw/zinc/48/52/45/430485245.db2.gz WEKADZFRJYKGAB-KRWDZBQOSA-N 1 2 320.389 2.993 20 5 DFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000548603372 430485249 /nfs/dbraw/zinc/48/52/49/430485249.db2.gz WEKADZFRJYKGAB-KRWDZBQOSA-N 1 2 320.389 2.993 20 5 DFBDLO C[NH+](C)Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000556734232 430690571 /nfs/dbraw/zinc/69/05/71/430690571.db2.gz RUBVAHCIRKBSCM-UHFFFAOYSA-N 1 2 315.329 2.614 20 5 DFBDLO Cc1nnsc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000572801032 430697285 /nfs/dbraw/zinc/69/72/85/430697285.db2.gz GFFQAZWNLVVYRT-UHFFFAOYSA-N 1 2 304.375 2.919 20 5 DFBDLO Cc1nnsc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000572801032 430697286 /nfs/dbraw/zinc/69/72/86/430697286.db2.gz GFFQAZWNLVVYRT-UHFFFAOYSA-N 1 2 304.375 2.919 20 5 DFBDLO Cc1ccc(N2CCN(C3=[NH+]C[C@H](C)S3)CC2)c([N+](=O)[O-])c1 ZINC000301509315 278821718 /nfs/dbraw/zinc/82/17/18/278821718.db2.gz DRMXONGOXYBIMQ-LBPRGKRZSA-N 1 2 320.418 2.517 20 5 DFBDLO Cc1cccc(N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)c1[N+](=O)[O-] ZINC000302508318 278922406 /nfs/dbraw/zinc/92/24/06/278922406.db2.gz RKKAHLNUVFPUDY-GFCCVEGCSA-N 1 2 320.418 2.517 20 5 DFBDLO Cc1nn(C)c(C)c1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131313066 279191107 /nfs/dbraw/zinc/19/11/07/279191107.db2.gz VFQSHBPUWZNFQC-UHFFFAOYSA-N 1 2 300.362 2.503 20 5 DFBDLO Cc1nn(C)c(C)c1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131313066 279191108 /nfs/dbraw/zinc/19/11/08/279191108.db2.gz VFQSHBPUWZNFQC-UHFFFAOYSA-N 1 2 300.362 2.503 20 5 DFBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCCC2(C1)OCCO2 ZINC000134060170 280364726 /nfs/dbraw/zinc/36/47/26/280364726.db2.gz JURSVMJVMSNRKR-UHFFFAOYSA-N 1 2 312.753 2.587 20 5 DFBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCCC2(C1)OCCO2 ZINC000134060170 280364729 /nfs/dbraw/zinc/36/47/29/280364729.db2.gz JURSVMJVMSNRKR-UHFFFAOYSA-N 1 2 312.753 2.587 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000330461071 280369150 /nfs/dbraw/zinc/36/91/50/280369150.db2.gz WJXKHOFYCAMXTP-CYBMUJFWSA-N 1 2 306.362 2.549 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000330461071 280369151 /nfs/dbraw/zinc/36/91/51/280369151.db2.gz WJXKHOFYCAMXTP-CYBMUJFWSA-N 1 2 306.362 2.549 20 5 DFBDLO CCn1cc[nH+]c1[C@H]1CCCCN1c1ncccc1[N+](=O)[O-] ZINC000281977887 288743079 /nfs/dbraw/zinc/74/30/79/288743079.db2.gz MFHGRMCSBRXYTH-GFCCVEGCSA-N 1 2 301.350 2.938 20 5 DFBDLO C[C@H]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000444462488 297237165 /nfs/dbraw/zinc/23/71/65/297237165.db2.gz DCUVSSYSFOLNBQ-AAEUAGOBSA-N 1 2 314.345 2.699 20 5 DFBDLO O=[N+]([O-])c1ccc(CC[NH2+][C@H](c2ncc[nH]2)c2ccccn2)cc1 ZINC000447544793 297307698 /nfs/dbraw/zinc/30/76/98/297307698.db2.gz WHBOLEYKSURJBU-INIZCTEOSA-N 1 2 323.356 2.635 20 5 DFBDLO CC(C)[C@H]1OCCC[C@@H]1C[NH+]=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000447678397 297312811 /nfs/dbraw/zinc/31/28/11/297312811.db2.gz ZMLJHRRHGFTZOO-IAQYHMDHSA-N 1 2 318.377 2.756 20 5 DFBDLO CC(C)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448633114 297350866 /nfs/dbraw/zinc/35/08/66/297350866.db2.gz DDYVEXAEWJPEMA-LLVKDONJSA-N 1 2 302.334 2.555 20 5 DFBDLO CC(C)[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448653294 297352897 /nfs/dbraw/zinc/35/28/97/297352897.db2.gz BUEAGLBIFIMYMX-GFCCVEGCSA-N 1 2 316.361 2.897 20 5 DFBDLO C[C@H](C1CC1)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448688453 297356877 /nfs/dbraw/zinc/35/68/77/297356877.db2.gz BOHUHIURKXQERO-LLVKDONJSA-N 1 2 314.345 2.651 20 5 DFBDLO CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCC1 ZINC000449912640 297558529 /nfs/dbraw/zinc/55/85/29/297558529.db2.gz OGHYWGOZRANOIF-UHFFFAOYSA-N 1 2 314.345 2.795 20 5 DFBDLO CC(F)(F)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452215996 297948348 /nfs/dbraw/zinc/94/83/48/297948348.db2.gz LMIPLPAPODBKAM-UHFFFAOYSA-N 1 2 324.287 2.556 20 5 DFBDLO CCc1ccc(C(=O)N[C@H](C)c2[nH+]ccn2CC)cc1[N+](=O)[O-] ZINC000456335535 298498133 /nfs/dbraw/zinc/49/81/33/298498133.db2.gz AEEYJXJSDOWEKF-LLVKDONJSA-N 1 2 316.361 2.865 20 5 DFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000456358552 298506295 /nfs/dbraw/zinc/50/62/95/298506295.db2.gz QDQJLCBXSPKSDW-NSHDSACASA-N 1 2 302.334 2.611 20 5 DFBDLO CC(C)n1c[nH+]cc1CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000516646159 300353439 /nfs/dbraw/zinc/35/34/39/300353439.db2.gz AFTILFJGYUKZLU-UHFFFAOYSA-N 1 2 300.362 2.931 20 5 DFBDLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000531627664 301100774 /nfs/dbraw/zinc/10/07/74/301100774.db2.gz DHBZCFOCASTQKP-UHFFFAOYSA-N 1 2 309.285 2.632 20 5 DFBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c(C)c[nH+]1 ZINC000535036351 301244529 /nfs/dbraw/zinc/24/45/29/301244529.db2.gz NINUJCCERPXKJG-UHFFFAOYSA-N 1 2 322.324 2.829 20 5 DFBDLO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccn[nH]1 ZINC000536627967 301283911 /nfs/dbraw/zinc/28/39/11/301283911.db2.gz CIZOPBRIGJGQSL-NSHDSACASA-N 1 2 306.391 2.978 20 5 DFBDLO CCCCn1nnnc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000537179507 301296049 /nfs/dbraw/zinc/29/60/49/301296049.db2.gz ORBSTIZPBSGWSH-GFCCVEGCSA-N 1 2 318.381 2.541 20 5 DFBDLO Cn1ccnc1[C@@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000562877224 302010109 /nfs/dbraw/zinc/01/01/09/302010109.db2.gz NHVKTCNAMLPORM-AVGNSLFASA-N 1 2 322.315 2.661 20 5 DFBDLO Cc1c(C[N@@H+]2CCO[C@]3(CCSC3)C2)cccc1[N+](=O)[O-] ZINC000564448248 302135262 /nfs/dbraw/zinc/13/52/62/302135262.db2.gz KCXGRWKRCVVKHJ-OAHLLOKOSA-N 1 2 308.403 2.611 20 5 DFBDLO Cc1c(C[N@H+]2CCO[C@]3(CCSC3)C2)cccc1[N+](=O)[O-] ZINC000564448248 302135264 /nfs/dbraw/zinc/13/52/64/302135264.db2.gz KCXGRWKRCVVKHJ-OAHLLOKOSA-N 1 2 308.403 2.611 20 5 DFBDLO Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1[N+](=O)[O-] ZINC000565184710 302203759 /nfs/dbraw/zinc/20/37/59/302203759.db2.gz BUMUIPMZQCZYLB-NWDGAFQWSA-N 1 2 316.361 2.682 20 5 DFBDLO Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000565184710 302203762 /nfs/dbraw/zinc/20/37/62/302203762.db2.gz BUMUIPMZQCZYLB-NWDGAFQWSA-N 1 2 316.361 2.682 20 5 DFBDLO CC(C)(C)n1ncnc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566473776 302290718 /nfs/dbraw/zinc/29/07/18/302290718.db2.gz DETMVBVMZHUWAU-CYBMUJFWSA-N 1 2 315.377 2.718 20 5 DFBDLO COc1cc(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)c([N+](=O)[O-])cc1F ZINC000566559613 302295185 /nfs/dbraw/zinc/29/51/85/302295185.db2.gz MSIDRNVILHKZMA-LLVKDONJSA-N 1 2 324.352 2.886 20 5 DFBDLO COc1cc(C[N@H+]2C[C@@H](C)OC3(CCC3)C2)c([N+](=O)[O-])cc1F ZINC000566559613 302295188 /nfs/dbraw/zinc/29/51/88/302295188.db2.gz MSIDRNVILHKZMA-LLVKDONJSA-N 1 2 324.352 2.886 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC(=O)Nc1ccccc1 ZINC000183285836 316136595 /nfs/dbraw/zinc/13/65/95/316136595.db2.gz FYQXDJPBVXGDKG-UHFFFAOYSA-N 1 2 313.357 2.974 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000183285836 316136600 /nfs/dbraw/zinc/13/66/00/316136600.db2.gz FYQXDJPBVXGDKG-UHFFFAOYSA-N 1 2 313.357 2.974 20 5 DFBDLO CCCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000448907890 317026526 /nfs/dbraw/zinc/02/65/26/317026526.db2.gz DMTPSEGJBKYIQJ-UHFFFAOYSA-N 1 2 314.345 2.795 20 5 DFBDLO CO[C@@H]1C[C@H]([N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C12CCC2 ZINC000449630677 317045940 /nfs/dbraw/zinc/04/59/40/317045940.db2.gz ILSKTWWXNUXOGM-LSDHHAIUSA-N 1 2 306.362 2.690 20 5 DFBDLO CO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C12CCC2 ZINC000449630677 317045942 /nfs/dbraw/zinc/04/59/42/317045942.db2.gz ILSKTWWXNUXOGM-LSDHHAIUSA-N 1 2 306.362 2.690 20 5 DFBDLO O=[N+]([O-])c1cnc2ccccc2c1NCCCNc1cccc[nH+]1 ZINC000488068183 317364612 /nfs/dbraw/zinc/36/46/12/317364612.db2.gz RLIODPIGMAQYSP-UHFFFAOYSA-N 1 2 323.356 2.874 20 5 DFBDLO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCc1cn2ccccc2[nH+]1 ZINC000490855977 317537358 /nfs/dbraw/zinc/53/73/58/317537358.db2.gz NJSHUJWUDASBMW-TWGQIWQCSA-N 1 2 322.324 2.572 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)c(F)c1 ZINC000576921876 318159103 /nfs/dbraw/zinc/15/91/03/318159103.db2.gz UZUUSYYYQZXPCB-DOMZBBRYSA-N 1 2 324.327 2.874 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)c(F)c1 ZINC000576921876 318159105 /nfs/dbraw/zinc/15/91/05/318159105.db2.gz UZUUSYYYQZXPCB-DOMZBBRYSA-N 1 2 324.327 2.874 20 5 DFBDLO C[C@@H](C(=O)Nc1c[nH+]c2n1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000578028315 318233631 /nfs/dbraw/zinc/23/36/31/318233631.db2.gz IGFWDIDTBQBQBJ-LLVKDONJSA-N 1 2 314.345 2.870 20 5 DFBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3ccsc3)CC2)c(F)c1 ZINC000578223656 318246591 /nfs/dbraw/zinc/24/65/91/318246591.db2.gz RIRIGYIRESSHIY-UHFFFAOYSA-N 1 2 322.365 2.513 20 5 DFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000578416812 318258565 /nfs/dbraw/zinc/25/85/65/318258565.db2.gz JDAKVRWBAWOSPL-NWDGAFQWSA-N 1 2 316.361 2.792 20 5 DFBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N(C)CCCn1cc[nH+]c1 ZINC000361055460 534879344 /nfs/dbraw/zinc/87/93/44/534879344.db2.gz FFRAGYSTTWSDJP-UHFFFAOYSA-N 1 2 302.334 2.520 20 5 DFBDLO CCOc1cccc(NC[C@H](C)[N@@H+]2CCOC[C@@H]2C)c1[N+](=O)[O-] ZINC000302238170 528674066 /nfs/dbraw/zinc/67/40/66/528674066.db2.gz WOJSAIIKHMFTPQ-STQMWFEESA-N 1 2 323.393 2.515 20 5 DFBDLO CCOc1cccc(NC[C@H](C)[N@H+]2CCOC[C@@H]2C)c1[N+](=O)[O-] ZINC000302238170 528674073 /nfs/dbraw/zinc/67/40/73/528674073.db2.gz WOJSAIIKHMFTPQ-STQMWFEESA-N 1 2 323.393 2.515 20 5 DFBDLO CN(C)c1ccc(CNc2c3c(ccc2[N+](=O)[O-])NCC3)c[nH+]1 ZINC000278390018 214135866 /nfs/dbraw/zinc/13/58/66/214135866.db2.gz MEUKMTCRAMHQBM-UHFFFAOYSA-N 1 2 313.361 2.636 20 5 DFBDLO Cc1cc(N(C)CC[N@@H+]2CCOC(C)(C)C2)c([N+](=O)[O-])s1 ZINC000596214677 398358494 /nfs/dbraw/zinc/35/84/94/398358494.db2.gz JXSHYQIFJYOVJA-UHFFFAOYSA-N 1 2 313.423 2.512 20 5 DFBDLO Cc1cc(N(C)CC[N@H+]2CCOC(C)(C)C2)c([N+](=O)[O-])s1 ZINC000596214677 398358496 /nfs/dbraw/zinc/35/84/96/398358496.db2.gz JXSHYQIFJYOVJA-UHFFFAOYSA-N 1 2 313.423 2.512 20 5 DFBDLO Cc1cnc(NCC2CC[NH+](CC(F)F)CC2)c([N+](=O)[O-])c1 ZINC000596238377 398364856 /nfs/dbraw/zinc/36/48/56/398364856.db2.gz HQJHXUVWYFZFHG-UHFFFAOYSA-N 1 2 314.336 2.687 20 5 DFBDLO CCn1cc[nH+]c1CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000296649637 529574998 /nfs/dbraw/zinc/57/49/98/529574998.db2.gz PBXAANQCLRXBMC-UHFFFAOYSA-N 1 2 317.349 2.750 20 5 DFBDLO Cc1ccnc(NCCc2cn3c(cccc3C)[nH+]2)c1[N+](=O)[O-] ZINC000592006256 398372014 /nfs/dbraw/zinc/37/20/14/398372014.db2.gz KNTCTKIXYZEDPD-UHFFFAOYSA-N 1 2 311.345 2.909 20 5 DFBDLO CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607078 185259987 /nfs/dbraw/zinc/25/99/87/185259987.db2.gz JIRUNFHEVBIDCH-GFCCVEGCSA-N 1 2 319.405 2.646 20 5 DFBDLO CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607078 185259988 /nfs/dbraw/zinc/25/99/88/185259988.db2.gz JIRUNFHEVBIDCH-GFCCVEGCSA-N 1 2 319.405 2.646 20 5 DFBDLO COc1ccc(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000592186948 398398645 /nfs/dbraw/zinc/39/86/45/398398645.db2.gz DXQZPHSWQFRWQE-GFCCVEGCSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1ccc(C[N@H+]2C[C@@H](C)OC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000592186948 398398647 /nfs/dbraw/zinc/39/86/47/398398647.db2.gz DXQZPHSWQFRWQE-GFCCVEGCSA-N 1 2 306.362 2.747 20 5 DFBDLO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cc2n(n1)CCCC2 ZINC000592387587 398420200 /nfs/dbraw/zinc/42/02/00/398420200.db2.gz VEXQKGDNXMNULC-LBPRGKRZSA-N 1 2 300.362 2.978 20 5 DFBDLO CCc1noc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000067462471 398435974 /nfs/dbraw/zinc/43/59/74/398435974.db2.gz AWVXFTDSAMNVKB-UHFFFAOYSA-N 1 2 304.350 2.951 20 5 DFBDLO CCc1noc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000067462471 398435975 /nfs/dbraw/zinc/43/59/75/398435975.db2.gz AWVXFTDSAMNVKB-UHFFFAOYSA-N 1 2 304.350 2.951 20 5 DFBDLO C[C@H](Nc1nc2c(cc1[N+](=O)[O-])CCCC2)c1[nH+]ccn1C ZINC000596541364 398442855 /nfs/dbraw/zinc/44/28/55/398442855.db2.gz FOSVANXLDTWYBT-JTQLQIEISA-N 1 2 301.350 2.775 20 5 DFBDLO COC(=O)[C@H]1C[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000596554472 398446045 /nfs/dbraw/zinc/44/60/45/398446045.db2.gz QLLMGDRJPZZUGM-XYPYZODXSA-N 1 2 301.302 2.507 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000596787385 398501229 /nfs/dbraw/zinc/50/12/29/398501229.db2.gz GWBCIBTZNCBXRW-LLVKDONJSA-N 1 2 317.349 2.828 20 5 DFBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000596912332 398528580 /nfs/dbraw/zinc/52/85/80/398528580.db2.gz FFUIBMACMVISLV-UHFFFAOYSA-N 1 2 303.322 2.544 20 5 DFBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000596912332 398528583 /nfs/dbraw/zinc/52/85/83/398528583.db2.gz FFUIBMACMVISLV-UHFFFAOYSA-N 1 2 303.322 2.544 20 5 DFBDLO O=C(CC[N@@H+]1CCCC(F)(F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000593048434 398530402 /nfs/dbraw/zinc/53/04/02/398530402.db2.gz KGAGLMXRZPTZBY-UHFFFAOYSA-N 1 2 313.304 2.655 20 5 DFBDLO O=C(CC[N@H+]1CCCC(F)(F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000593048434 398530408 /nfs/dbraw/zinc/53/04/08/398530408.db2.gz KGAGLMXRZPTZBY-UHFFFAOYSA-N 1 2 313.304 2.655 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)[C@@H](CC)CO1 ZINC000593060015 398534714 /nfs/dbraw/zinc/53/47/14/398534714.db2.gz VVBZGOISFMSQAQ-DZGCQCFKSA-N 1 2 308.378 2.993 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)[C@@H](CC)CO1 ZINC000593060015 398534715 /nfs/dbraw/zinc/53/47/15/398534715.db2.gz VVBZGOISFMSQAQ-DZGCQCFKSA-N 1 2 308.378 2.993 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](CC)CO1 ZINC000593058335 398534060 /nfs/dbraw/zinc/53/40/60/398534060.db2.gz LQCHAHFLHXOHGG-DGCLKSJQSA-N 1 2 318.377 2.861 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](CC)CO1 ZINC000593058335 398534063 /nfs/dbraw/zinc/53/40/63/398534063.db2.gz LQCHAHFLHXOHGG-DGCLKSJQSA-N 1 2 318.377 2.861 20 5 DFBDLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000593059713 398534680 /nfs/dbraw/zinc/53/46/80/398534680.db2.gz SMTFWNPZPRBCSO-NSHDSACASA-N 1 2 318.377 2.861 20 5 DFBDLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000593059713 398534686 /nfs/dbraw/zinc/53/46/86/398534686.db2.gz SMTFWNPZPRBCSO-NSHDSACASA-N 1 2 318.377 2.861 20 5 DFBDLO Cc1ccc([C@@H](C)[NH2+]Cc2ncnn2C(C)C)cc1[N+](=O)[O-] ZINC000279795961 215151943 /nfs/dbraw/zinc/15/19/43/215151943.db2.gz WDRDBRFPHPXOIM-GFCCVEGCSA-N 1 2 303.366 2.926 20 5 DFBDLO Cc1c(C[N@H+]2C[C@@H](C)OC3(CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000279894914 215215965 /nfs/dbraw/zinc/21/59/65/215215965.db2.gz UYKHRNTVSMPEBM-CYBMUJFWSA-N 1 2 320.389 2.673 20 5 DFBDLO Cc1c(C[N@@H+]2C[C@@H](C)OC3(CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000279894914 215215967 /nfs/dbraw/zinc/21/59/67/215215967.db2.gz UYKHRNTVSMPEBM-CYBMUJFWSA-N 1 2 320.389 2.673 20 5 DFBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1NCC[N@@H+]1CCOC[C@@H]1C ZINC000444826948 297253443 /nfs/dbraw/zinc/25/34/43/297253443.db2.gz PQFBBZLQFFZDSM-NSHDSACASA-N 1 2 313.785 2.689 20 5 DFBDLO CCn1c[nH+]cc1[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000589954351 398585923 /nfs/dbraw/zinc/58/59/23/398585923.db2.gz ZMTMWTVGXHANAM-CYBMUJFWSA-N 1 2 317.349 2.507 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCNc1cccc[nH+]1 ZINC000043151413 398614534 /nfs/dbraw/zinc/61/45/34/398614534.db2.gz JLQZQXZMOFPDNF-UHFFFAOYSA-N 1 2 315.333 2.532 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000072771255 398635511 /nfs/dbraw/zinc/63/55/11/398635511.db2.gz IWKYCPTXHSNNAF-VXGBXAGGSA-N 1 2 323.418 2.668 20 5 DFBDLO Cc1cn2c([nH+]1)CN(c1ccnc3cc([N+](=O)[O-])ccc31)CC2 ZINC000593466283 398637379 /nfs/dbraw/zinc/63/73/79/398637379.db2.gz DJDRILLLIJQICY-UHFFFAOYSA-N 1 2 309.329 2.668 20 5 DFBDLO O=C(C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)C(F)(F)F ZINC000186016763 186231876 /nfs/dbraw/zinc/23/18/76/186231876.db2.gz MJLJUCMZSBVJTN-UHFFFAOYSA-N 1 2 316.279 2.938 20 5 DFBDLO C[C@@H]([NH2+]Cc1cn(C(C)(C)C)nn1)c1cccc([N+](=O)[O-])c1 ZINC000189950068 186253824 /nfs/dbraw/zinc/25/38/24/186253824.db2.gz PKTDEIKNJQPSSE-LLVKDONJSA-N 1 2 303.366 2.792 20 5 DFBDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000173925109 198269630 /nfs/dbraw/zinc/26/96/30/198269630.db2.gz JSPYLAKMLVESPP-NWDGAFQWSA-N 1 2 323.418 2.749 20 5 DFBDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000173925109 198269634 /nfs/dbraw/zinc/26/96/34/198269634.db2.gz JSPYLAKMLVESPP-NWDGAFQWSA-N 1 2 323.418 2.749 20 5 DFBDLO CCOc1cc(C[N@@H+]2CCOC[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000276989238 213224182 /nfs/dbraw/zinc/22/41/82/213224182.db2.gz ZSHWLCXHARGQCT-OAHLLOKOSA-N 1 2 306.362 2.604 20 5 DFBDLO CCOc1cc(C[N@H+]2CCOC[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000276989238 213224185 /nfs/dbraw/zinc/22/41/85/213224185.db2.gz ZSHWLCXHARGQCT-OAHLLOKOSA-N 1 2 306.362 2.604 20 5 DFBDLO CC(C)(F)CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000598196675 398766904 /nfs/dbraw/zinc/76/69/04/398766904.db2.gz DRTXRWANXSXLSO-UHFFFAOYSA-N 1 2 320.324 2.649 20 5 DFBDLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000048041090 398770314 /nfs/dbraw/zinc/77/03/14/398770314.db2.gz VBWPIUWKSOLWCG-UHFFFAOYSA-N 1 2 319.405 2.819 20 5 DFBDLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000048041090 398770317 /nfs/dbraw/zinc/77/03/17/398770317.db2.gz VBWPIUWKSOLWCG-UHFFFAOYSA-N 1 2 319.405 2.819 20 5 DFBDLO CC(C)[C@@H](C)NC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135225202 283211684 /nfs/dbraw/zinc/21/16/84/283211684.db2.gz TYZHEVCDOHXYPP-CYBMUJFWSA-N 1 2 319.405 2.720 20 5 DFBDLO CC(C)[C@@H](C)NC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135225202 283211686 /nfs/dbraw/zinc/21/16/86/283211686.db2.gz TYZHEVCDOHXYPP-CYBMUJFWSA-N 1 2 319.405 2.720 20 5 DFBDLO COc1ccc(CNc2ccc(N(C)C)c[nH+]2)cc1[N+](=O)[O-] ZINC000150914365 283271159 /nfs/dbraw/zinc/27/11/59/283271159.db2.gz BFDWJOCDZGBWQZ-UHFFFAOYSA-N 1 2 302.334 2.677 20 5 DFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(CC(F)(F)F)CC1 ZINC000075587641 398812241 /nfs/dbraw/zinc/81/22/41/398812241.db2.gz WZMZQSHFQVKIJH-NSHDSACASA-N 1 2 317.311 2.836 20 5 DFBDLO COc1ccnc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1F ZINC000594726389 398849617 /nfs/dbraw/zinc/84/96/17/398849617.db2.gz LZWFGBAIZREKKL-JTQLQIEISA-N 1 2 305.309 2.988 20 5 DFBDLO CCc1cc(=O)[nH]c(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000180411329 199155351 /nfs/dbraw/zinc/15/53/51/199155351.db2.gz ONTZVHUIJKIYHQ-JTQLQIEISA-N 1 2 302.334 2.504 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCN1CC(F)F ZINC000153324426 283362527 /nfs/dbraw/zinc/36/25/27/283362527.db2.gz QZGGVWQYYITERT-CYBMUJFWSA-N 1 2 313.348 2.756 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCN1CC(F)F ZINC000153324426 283362531 /nfs/dbraw/zinc/36/25/31/283362531.db2.gz QZGGVWQYYITERT-CYBMUJFWSA-N 1 2 313.348 2.756 20 5 DFBDLO CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153390027 283365967 /nfs/dbraw/zinc/36/59/67/283365967.db2.gz XGEJOPATVCPFEE-GFCCVEGCSA-N 1 2 319.405 2.646 20 5 DFBDLO CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153390027 283365970 /nfs/dbraw/zinc/36/59/70/283365970.db2.gz XGEJOPATVCPFEE-GFCCVEGCSA-N 1 2 319.405 2.646 20 5 DFBDLO CCn1cc(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)nn1 ZINC000594971425 398884058 /nfs/dbraw/zinc/88/40/58/398884058.db2.gz JQJPWSXUZZMQHJ-UHFFFAOYSA-N 1 2 303.366 2.619 20 5 DFBDLO Cc1cn2c([nH+]1)C[C@H](C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000598954442 398896174 /nfs/dbraw/zinc/89/61/74/398896174.db2.gz SUGYKPASEQACQU-GFCCVEGCSA-N 1 2 314.345 2.609 20 5 DFBDLO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c2ncnn21 ZINC000595063025 398900462 /nfs/dbraw/zinc/90/04/62/398900462.db2.gz BYLHSSFZHKJCQC-WKPIXPDZSA-N 1 2 313.361 2.859 20 5 DFBDLO O=C1CCCN1CCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599013266 398907570 /nfs/dbraw/zinc/90/75/70/398907570.db2.gz GFMAVYIRXJZQBY-UHFFFAOYSA-N 1 2 314.345 2.567 20 5 DFBDLO CSC[C@@](C)(O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599046069 398912800 /nfs/dbraw/zinc/91/28/00/398912800.db2.gz GWOOHFYBBWPNQC-AWEZNQCLSA-N 1 2 307.375 2.669 20 5 DFBDLO CN(CC1(O)CCCC1)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599060237 398914893 /nfs/dbraw/zinc/91/48/93/398914893.db2.gz WISGWGSBLAOUTC-UHFFFAOYSA-N 1 2 301.346 2.884 20 5 DFBDLO CO[C@H]1COCC[C@H]1CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599082334 398918018 /nfs/dbraw/zinc/91/80/18/398918018.db2.gz DKVBYQYJCYLTOD-WFASDCNBSA-N 1 2 317.345 2.606 20 5 DFBDLO C[C@H](Cc1cnn(C)c1)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599083394 398918473 /nfs/dbraw/zinc/91/84/73/398918473.db2.gz LCVUHCBIOIRVTL-LLVKDONJSA-N 1 2 311.345 2.920 20 5 DFBDLO Cc1cc[nH+]c([C@H]2CCN(c3ncc([N+](=O)[O-])cc3F)C2)c1 ZINC000599099672 398921428 /nfs/dbraw/zinc/92/14/28/398921428.db2.gz IZGFGBLRZKVZSB-NSHDSACASA-N 1 2 302.309 2.826 20 5 DFBDLO C[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@H](C)[C@H]1O ZINC000599106198 398921937 /nfs/dbraw/zinc/92/19/37/398921937.db2.gz AXBLGBZVHFVKNG-CDMJZVDBSA-N 1 2 301.346 2.596 20 5 DFBDLO Cc1noc(C[N@H+](C)CCOCc2ccccc2)c1[N+](=O)[O-] ZINC000595338932 398924379 /nfs/dbraw/zinc/92/43/79/398924379.db2.gz MENSPIFYHSQIFP-UHFFFAOYSA-N 1 2 305.334 2.540 20 5 DFBDLO Cc1noc(C[N@@H+](C)CCOCc2ccccc2)c1[N+](=O)[O-] ZINC000595338932 398924380 /nfs/dbraw/zinc/92/43/80/398924380.db2.gz MENSPIFYHSQIFP-UHFFFAOYSA-N 1 2 305.334 2.540 20 5 DFBDLO CC1(C)C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000595466837 398944395 /nfs/dbraw/zinc/94/43/95/398944395.db2.gz NPZQEONLTOSORH-INIZCTEOSA-N 1 2 324.352 2.504 20 5 DFBDLO CC1(C)C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000595466837 398944399 /nfs/dbraw/zinc/94/43/99/398944399.db2.gz NPZQEONLTOSORH-INIZCTEOSA-N 1 2 324.352 2.504 20 5 DFBDLO CCn1cc[nH+]c1[C@H]1CCCCN1Cc1onc(C)c1[N+](=O)[O-] ZINC000595475343 398946522 /nfs/dbraw/zinc/94/65/22/398946522.db2.gz OHDTUJLRUOUYBX-GFCCVEGCSA-N 1 2 319.365 2.835 20 5 DFBDLO O=[N+]([O-])c1cccnc1NCc1[nH+]ccn1Cc1ccccc1 ZINC000078498815 398961152 /nfs/dbraw/zinc/96/11/52/398961152.db2.gz OAABPEFWBFGHTB-UHFFFAOYSA-N 1 2 309.329 2.847 20 5 DFBDLO COC(=O)c1occc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000193902030 201142589 /nfs/dbraw/zinc/14/25/89/201142589.db2.gz BIVOYBTXJQOYPD-SNVBAGLBSA-N 1 2 304.302 2.825 20 5 DFBDLO O=C(/C=C\c1ccccc1[N+](=O)[O-])NCc1ccn2cc[nH+]c2c1 ZINC000255499139 283882637 /nfs/dbraw/zinc/88/26/37/283882637.db2.gz NQLHPYZRMFULPA-WAYWQWQTSA-N 1 2 322.324 2.572 20 5 DFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000595756941 399071971 /nfs/dbraw/zinc/07/19/71/399071971.db2.gz ISIUAFRAPQILMY-GXFFZTMASA-N 1 2 316.279 2.570 20 5 DFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000595756941 399071977 /nfs/dbraw/zinc/07/19/77/399071977.db2.gz ISIUAFRAPQILMY-GXFFZTMASA-N 1 2 316.279 2.570 20 5 DFBDLO CCN1CCN(c2cccc(C)c2[N+](=O)[O-])C[C@H]1c1[nH]cc[nH+]1 ZINC000338709063 284134927 /nfs/dbraw/zinc/13/49/27/284134927.db2.gz BUNXABLNWBBOCO-AWEZNQCLSA-N 1 2 315.377 2.510 20 5 DFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCOc3ccc(O)cc3C2)c1 ZINC000595856004 399113662 /nfs/dbraw/zinc/11/36/62/399113662.db2.gz HGOLZYXIZUKWMN-UHFFFAOYSA-N 1 2 300.314 2.695 20 5 DFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCOc3ccc(O)cc3C2)c1 ZINC000595856004 399113665 /nfs/dbraw/zinc/11/36/65/399113665.db2.gz HGOLZYXIZUKWMN-UHFFFAOYSA-N 1 2 300.314 2.695 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000618449188 399123409 /nfs/dbraw/zinc/12/34/09/399123409.db2.gz RRNQZGDYMHPCSU-ZDUSSCGKSA-N 1 2 314.345 2.577 20 5 DFBDLO COc1cc(C[N@H+](C)Cc2cccn2C)c([N+](=O)[O-])cc1OC ZINC000093584576 193269810 /nfs/dbraw/zinc/26/98/10/193269810.db2.gz RWCJJUPYZTYKLP-UHFFFAOYSA-N 1 2 319.361 2.583 20 5 DFBDLO COc1cc(C[N@@H+](C)Cc2cccn2C)c([N+](=O)[O-])cc1OC ZINC000093584576 193269812 /nfs/dbraw/zinc/26/98/12/193269812.db2.gz RWCJJUPYZTYKLP-UHFFFAOYSA-N 1 2 319.361 2.583 20 5 DFBDLO Cn1cnnc1[C@@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093809694 193310403 /nfs/dbraw/zinc/31/04/03/193310403.db2.gz ATUPJMCXTZVWIF-SZTZYQKNSA-N 1 2 313.361 2.574 20 5 DFBDLO Cn1cnnc1[C@@H]1CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093809694 193310406 /nfs/dbraw/zinc/31/04/06/193310406.db2.gz ATUPJMCXTZVWIF-SZTZYQKNSA-N 1 2 313.361 2.574 20 5 DFBDLO COc1ccc(N[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)[nH+]c1 ZINC000618574328 399164609 /nfs/dbraw/zinc/16/46/09/399164609.db2.gz XJGKDOFWFXGROE-QWHCGFSZSA-N 1 2 317.349 2.791 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000341930411 284294635 /nfs/dbraw/zinc/29/46/35/284294635.db2.gz MJLYNFXEZUAYEF-UHFFFAOYSA-N 1 2 322.315 2.776 20 5 DFBDLO Cc1cc(N[C@H]2[C@@H]3CCC[C@@H]32)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000486501877 299427057 /nfs/dbraw/zinc/42/70/57/299427057.db2.gz XOERAJCXGKWTFQ-FOLVSLTJSA-N 1 2 310.357 2.993 20 5 DFBDLO CC(C)Cc1noc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282540574 217074933 /nfs/dbraw/zinc/07/49/33/217074933.db2.gz VZMWUSQFVPNUQF-UHFFFAOYSA-N 1 2 318.377 2.851 20 5 DFBDLO CC(C)Cc1noc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282540574 217074937 /nfs/dbraw/zinc/07/49/37/217074937.db2.gz VZMWUSQFVPNUQF-UHFFFAOYSA-N 1 2 318.377 2.851 20 5 DFBDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282550228 217081815 /nfs/dbraw/zinc/08/18/15/217081815.db2.gz SKHKPVAAXQQNKS-JMSVASOKSA-N 1 2 322.336 2.507 20 5 DFBDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282550228 217081818 /nfs/dbraw/zinc/08/18/18/217081818.db2.gz SKHKPVAAXQQNKS-JMSVASOKSA-N 1 2 322.336 2.507 20 5 DFBDLO C[C@H]1COCC[N@@H+]1CCNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000596113683 399178089 /nfs/dbraw/zinc/17/80/89/399178089.db2.gz WMOGUDKASSHXBN-JTQLQIEISA-N 1 2 315.320 2.665 20 5 DFBDLO C[C@H]1COCC[N@H+]1CCNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000596113683 399178092 /nfs/dbraw/zinc/17/80/92/399178092.db2.gz WMOGUDKASSHXBN-JTQLQIEISA-N 1 2 315.320 2.665 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CCC(F)(F)F ZINC000063562101 399194540 /nfs/dbraw/zinc/19/45/40/399194540.db2.gz XESFSOXUPZANNX-UHFFFAOYSA-N 1 2 319.283 2.726 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CCC(F)(F)F ZINC000063562101 399194542 /nfs/dbraw/zinc/19/45/42/399194542.db2.gz XESFSOXUPZANNX-UHFFFAOYSA-N 1 2 319.283 2.726 20 5 DFBDLO Cc1ccc(C[NH2+]Cc2nccc(C(F)F)n2)cc1[N+](=O)[O-] ZINC000288352444 220102843 /nfs/dbraw/zinc/10/28/43/220102843.db2.gz CFQSRSVREHVQHD-UHFFFAOYSA-N 1 2 308.288 2.921 20 5 DFBDLO O=[N+]([O-])c1cccc(Br)c1N1CC(n2cc[nH+]c2)C1 ZINC000596162569 399198363 /nfs/dbraw/zinc/19/83/63/399198363.db2.gz MWIQPZCUQOVWEU-UHFFFAOYSA-N 1 2 323.150 2.615 20 5 DFBDLO COc1cc(C[NH2+]Cc2ccc(C)o2)c([N+](=O)[O-])cc1OC ZINC000601152243 399242668 /nfs/dbraw/zinc/24/26/68/399242668.db2.gz LIJRTEJWNXROSZ-UHFFFAOYSA-N 1 2 306.318 2.803 20 5 DFBDLO CCc1cnc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 ZINC000601149316 399241177 /nfs/dbraw/zinc/24/11/77/399241177.db2.gz KYEFSCATMCVPPG-OAHLLOKOSA-N 1 2 321.402 2.611 20 5 DFBDLO CO[C@H]1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000267616280 206176190 /nfs/dbraw/zinc/17/61/90/206176190.db2.gz HNTOWCPCBOPHQG-AWEZNQCLSA-N 1 2 314.345 2.585 20 5 DFBDLO Cc1cc[nH+]c([C@H]2CCN(c3ncc(F)cc3[N+](=O)[O-])C2)c1 ZINC000601187116 399250718 /nfs/dbraw/zinc/25/07/18/399250718.db2.gz OINQWNZUJBWSRS-NSHDSACASA-N 1 2 302.309 2.826 20 5 DFBDLO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120193889 296226978 /nfs/dbraw/zinc/22/69/78/296226978.db2.gz QJOPXZPEGVZSQI-ZDUSSCGKSA-N 1 2 318.308 2.824 20 5 DFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@]23CCOC3)c1 ZINC000421030574 296228795 /nfs/dbraw/zinc/22/87/95/296228795.db2.gz YQBJGCKHIRKROH-ZDUSSCGKSA-N 1 2 316.279 2.978 20 5 DFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@]23CCOC3)c1 ZINC000421030574 296228796 /nfs/dbraw/zinc/22/87/96/296228796.db2.gz YQBJGCKHIRKROH-ZDUSSCGKSA-N 1 2 316.279 2.978 20 5 DFBDLO Cn1ccnc1[C@@H]([NH2+]CC(C)(C)F)c1ccc([N+](=O)[O-])cc1 ZINC000601288463 399271357 /nfs/dbraw/zinc/27/13/57/399271357.db2.gz YMIADFUUFBFYKC-ZDUSSCGKSA-N 1 2 306.341 2.755 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000421549078 296264890 /nfs/dbraw/zinc/26/48/90/296264890.db2.gz FXISESDSFHLPHL-YPMHNXCESA-N 1 2 314.345 2.844 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000421549072 296264894 /nfs/dbraw/zinc/26/48/94/296264894.db2.gz FXISESDSFHLPHL-AAEUAGOBSA-N 1 2 314.345 2.844 20 5 DFBDLO Cc1cc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)cc(C)[nH+]1 ZINC000421577462 296267433 /nfs/dbraw/zinc/26/74/33/296267433.db2.gz OXRXRBYGPJAIFI-UHFFFAOYSA-N 1 2 317.320 2.605 20 5 DFBDLO Cc1cc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000609131134 399304671 /nfs/dbraw/zinc/30/46/71/399304671.db2.gz IHSYQBPUNLAYEH-AWEZNQCLSA-N 1 2 314.345 2.577 20 5 DFBDLO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccn3cc[nH+]c3c2)c1 ZINC000619578894 399364382 /nfs/dbraw/zinc/36/43/82/399364382.db2.gz XAOLKGWCNSEZJH-UHFFFAOYSA-N 1 2 312.285 2.503 20 5 DFBDLO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C(F)(F)F)O1 ZINC000610410529 399365200 /nfs/dbraw/zinc/36/52/00/399365200.db2.gz XDEIMOYHXNQFLM-GWCFXTLKSA-N 1 2 318.295 2.789 20 5 DFBDLO C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C(F)(F)F)O1 ZINC000610410529 399365203 /nfs/dbraw/zinc/36/52/03/399365203.db2.gz XDEIMOYHXNQFLM-GWCFXTLKSA-N 1 2 318.295 2.789 20 5 DFBDLO Cc1cc[nH+]cc1N1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000619589520 399365574 /nfs/dbraw/zinc/36/55/74/399365574.db2.gz NXWGWXKGHWSDPK-UHFFFAOYSA-N 1 2 304.375 2.686 20 5 DFBDLO Cc1cc[nH+]cc1N1CCN(c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000619589463 399365685 /nfs/dbraw/zinc/36/56/85/399365685.db2.gz VZOBZQIJXROHHG-UHFFFAOYSA-N 1 2 312.373 2.933 20 5 DFBDLO CC[C@@H](NC(=O)CCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000610526960 399378052 /nfs/dbraw/zinc/37/80/52/399378052.db2.gz YHRYRDOCBVBCJA-OAHLLOKOSA-N 1 2 316.361 2.839 20 5 DFBDLO CCOc1nnc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000285264266 218357552 /nfs/dbraw/zinc/35/75/52/218357552.db2.gz IDBPOUMSZVKDAW-UHFFFAOYSA-N 1 2 322.390 2.520 20 5 DFBDLO CCOc1nnc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000285264266 218357557 /nfs/dbraw/zinc/35/75/57/218357557.db2.gz IDBPOUMSZVKDAW-UHFFFAOYSA-N 1 2 322.390 2.520 20 5 DFBDLO Cc1ccc([C@@H](C)NC(=O)CCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000610620852 399387022 /nfs/dbraw/zinc/38/70/22/399387022.db2.gz FSRRLFJMDDOAAD-CYBMUJFWSA-N 1 2 316.361 2.757 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](OCc3ccccn3)C2)cs1 ZINC000610765546 399403880 /nfs/dbraw/zinc/40/38/80/399403880.db2.gz SKAGLYSJUVRMQC-CQSZACIVSA-N 1 2 319.386 2.842 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](OCc3ccccn3)C2)cs1 ZINC000610765546 399403881 /nfs/dbraw/zinc/40/38/81/399403881.db2.gz SKAGLYSJUVRMQC-CQSZACIVSA-N 1 2 319.386 2.842 20 5 DFBDLO CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000602449329 399447537 /nfs/dbraw/zinc/44/75/37/399447537.db2.gz YYXLKYLXOWTVAE-NSHDSACASA-N 1 2 304.350 2.617 20 5 DFBDLO CC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000602449329 399447541 /nfs/dbraw/zinc/44/75/41/399447541.db2.gz YYXLKYLXOWTVAE-NSHDSACASA-N 1 2 304.350 2.617 20 5 DFBDLO Cn1nc2c(c1C[N@H+](C)Cc1ccccc1[N+](=O)[O-])CCCC2 ZINC000602439698 399445400 /nfs/dbraw/zinc/44/54/00/399445400.db2.gz LIRMSTXVPWQNRD-UHFFFAOYSA-N 1 2 314.389 2.839 20 5 DFBDLO Cn1nc2c(c1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])CCCC2 ZINC000602439698 399445401 /nfs/dbraw/zinc/44/54/01/399445401.db2.gz LIRMSTXVPWQNRD-UHFFFAOYSA-N 1 2 314.389 2.839 20 5 DFBDLO Cc1nc(C2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CCCC2)no1 ZINC000063510911 184284167 /nfs/dbraw/zinc/28/41/67/184284167.db2.gz OFCRVZZZQKHNCC-UHFFFAOYSA-N 1 2 302.334 2.845 20 5 DFBDLO O=[N+]([O-])c1ccsc1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000611411436 399472419 /nfs/dbraw/zinc/47/24/19/399472419.db2.gz YCSAGQIINPEEIN-UHFFFAOYSA-N 1 2 320.374 2.500 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000611615898 399498861 /nfs/dbraw/zinc/49/88/61/399498861.db2.gz GELLRWCKVAYAEZ-ZDUSSCGKSA-N 1 2 301.350 2.645 20 5 DFBDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000492272514 299551246 /nfs/dbraw/zinc/55/12/46/299551246.db2.gz HMBKXNQZLWXMHG-WAYWQWQTSA-N 1 2 304.281 2.602 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](C)CO1 ZINC000602701254 399528513 /nfs/dbraw/zinc/52/85/13/399528513.db2.gz XYQQBMDKOJIPPK-ZYHUDNBSSA-N 1 2 305.334 2.735 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](C)CO1 ZINC000602701254 399528515 /nfs/dbraw/zinc/52/85/15/399528515.db2.gz XYQQBMDKOJIPPK-ZYHUDNBSSA-N 1 2 305.334 2.735 20 5 DFBDLO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCCn4nccc43)nc2c1 ZINC000602752531 399556181 /nfs/dbraw/zinc/55/61/81/399556181.db2.gz XYJAAKMSPCOLCQ-NSHDSACASA-N 1 2 313.317 2.557 20 5 DFBDLO O=[N+]([O-])c1ccc(N2CCn3c[nH+]cc3C2)nc1-c1ccccc1 ZINC000357582240 285132614 /nfs/dbraw/zinc/13/26/14/285132614.db2.gz OHZZKCFELCQDRK-UHFFFAOYSA-N 1 2 321.340 2.874 20 5 DFBDLO C[C@@H]([NH2+]Cc1nc(CC2CC2)no1)c1cccc([N+](=O)[O-])c1 ZINC000602802067 399581191 /nfs/dbraw/zinc/58/11/91/399581191.db2.gz ONBKJXPDICVLBO-SNVBAGLBSA-N 1 2 302.334 2.781 20 5 DFBDLO CCc1c[nH+]ccc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000347865866 285215823 /nfs/dbraw/zinc/21/58/23/285215823.db2.gz ZXPFYPQPJIYQHK-JTQLQIEISA-N 1 2 317.320 2.855 20 5 DFBDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000155328768 197044521 /nfs/dbraw/zinc/04/45/21/197044521.db2.gz FEYAKPBOKVATPA-UHFFFAOYSA-N 1 2 322.752 2.607 20 5 DFBDLO Cc1c(C(=O)Nc2cc(N(C)C)cc[nH+]2)cccc1[N+](=O)[O-] ZINC000612345832 399629641 /nfs/dbraw/zinc/62/96/41/399629641.db2.gz MZFBZPGNHQYUTF-UHFFFAOYSA-N 1 2 300.318 2.617 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(N(C)C)cc[nH+]2)c1 ZINC000612346669 399629850 /nfs/dbraw/zinc/62/98/50/399629850.db2.gz MKDOZBITXBDRJR-UHFFFAOYSA-N 1 2 300.318 2.617 20 5 DFBDLO CCc1nnc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000289722356 221179990 /nfs/dbraw/zinc/17/99/90/221179990.db2.gz GBJURWBDFCYSGS-UHFFFAOYSA-N 1 2 312.782 2.952 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1OC2CCC1CC2 ZINC000603030779 399661611 /nfs/dbraw/zinc/66/16/11/399661611.db2.gz FWDWKLMIGYNETE-UHFFFAOYSA-N 1 2 319.361 2.790 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1OC2CCC1CC2 ZINC000603030779 399661612 /nfs/dbraw/zinc/66/16/12/399661612.db2.gz FWDWKLMIGYNETE-UHFFFAOYSA-N 1 2 319.361 2.790 20 5 DFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)(F)CC1 ZINC000602992648 399652600 /nfs/dbraw/zinc/65/26/00/399652600.db2.gz BKCXWKMHXWKMRB-NSHDSACASA-N 1 2 309.341 2.746 20 5 DFBDLO COc1cc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c(F)cn1 ZINC000348080916 285334757 /nfs/dbraw/zinc/33/47/57/285334757.db2.gz RQJRNONXPPLUMT-JTQLQIEISA-N 1 2 305.309 2.988 20 5 DFBDLO Cn1ccnc1[C@H]([NH2+][C@@H]1C[C@@H]1C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000348292312 285476448 /nfs/dbraw/zinc/47/64/48/285476448.db2.gz NHVKTCNAMLPORM-YNEHKIRRSA-N 1 2 322.315 2.661 20 5 DFBDLO CC(C)OC(=O)[C@@H](C)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255047887 146230525 /nfs/dbraw/zinc/23/05/25/146230525.db2.gz CTZQGNMQAOZVTO-FNOHHLHBSA-N 1 2 306.362 2.880 20 5 DFBDLO CC(C)OC(=O)[C@@H](C)[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255047887 146230527 /nfs/dbraw/zinc/23/05/27/146230527.db2.gz CTZQGNMQAOZVTO-FNOHHLHBSA-N 1 2 306.362 2.880 20 5 DFBDLO COC(=O)c1ccc(OCc2ccc(C)[nH+]c2C)cc1[N+](=O)[O-] ZINC000614088747 543476574 /nfs/dbraw/zinc/47/65/74/543476574.db2.gz ZSPIVIDHEFDGLC-UHFFFAOYSA-N 1 2 316.313 2.972 20 5 DFBDLO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1c[nH+]c2n1CCCC2 ZINC000493061136 299707227 /nfs/dbraw/zinc/70/72/27/299707227.db2.gz JGLUHPYBDRWPOS-TWGQIWQCSA-N 1 2 312.329 2.780 20 5 DFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000361424876 149112981 /nfs/dbraw/zinc/11/29/81/149112981.db2.gz APZZZKUWYFXINY-SECBINFHSA-N 1 2 320.723 2.698 20 5 DFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000361424876 149112982 /nfs/dbraw/zinc/11/29/82/149112982.db2.gz APZZZKUWYFXINY-SECBINFHSA-N 1 2 320.723 2.698 20 5 DFBDLO Cc1c(C(=O)N2CCC[C@@H]2c2[nH+]ccn2C)cccc1[N+](=O)[O-] ZINC000361694965 149195168 /nfs/dbraw/zinc/19/51/68/149195168.db2.gz BYDITYMXFIGZMF-CQSZACIVSA-N 1 2 314.345 2.614 20 5 DFBDLO Nc1ccc(NCc2ccccc2-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000366963438 149521461 /nfs/dbraw/zinc/52/14/61/149521461.db2.gz PTJBUIZXQNVGLQ-UHFFFAOYSA-N 1 2 309.329 2.975 20 5 DFBDLO Cc1cc(C(=O)N2CCC[C@@H]2c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000371463802 150050829 /nfs/dbraw/zinc/05/08/29/150050829.db2.gz LMCVTFIXGAFLTO-CQSZACIVSA-N 1 2 314.345 2.614 20 5 DFBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3cccc(Cl)n3)C2)c1 ZINC000372272559 150156979 /nfs/dbraw/zinc/15/69/79/150156979.db2.gz ICPDDBUQCAPTFR-GFCCVEGCSA-N 1 2 321.768 2.677 20 5 DFBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3cccc(Cl)n3)C2)c1 ZINC000372272559 150156980 /nfs/dbraw/zinc/15/69/80/150156980.db2.gz ICPDDBUQCAPTFR-GFCCVEGCSA-N 1 2 321.768 2.677 20 5 DFBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3ccc(Cl)nc3)C2)c1 ZINC000372328794 150164271 /nfs/dbraw/zinc/16/42/71/150164271.db2.gz CZKBMZZFXPCTGL-GFCCVEGCSA-N 1 2 321.768 2.677 20 5 DFBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3ccc(Cl)nc3)C2)c1 ZINC000372328794 150164273 /nfs/dbraw/zinc/16/42/73/150164273.db2.gz CZKBMZZFXPCTGL-GFCCVEGCSA-N 1 2 321.768 2.677 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOCC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000373208620 150247789 /nfs/dbraw/zinc/24/77/89/150247789.db2.gz ZTJCPBAEQXVPPX-UHFFFAOYSA-N 1 2 321.333 2.506 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOCC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000373208620 150247790 /nfs/dbraw/zinc/24/77/90/150247790.db2.gz ZTJCPBAEQXVPPX-UHFFFAOYSA-N 1 2 321.333 2.506 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(CN2CCC[C@H]2c2[nH]cc[nH+]2)c(F)c1 ZINC000351754541 286210548 /nfs/dbraw/zinc/21/05/48/286210548.db2.gz GAYQLGPTGNRBEO-ZDUSSCGKSA-N 1 2 308.288 2.933 20 5 DFBDLO CC(C)[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1nncn1C ZINC000352462990 286380540 /nfs/dbraw/zinc/38/05/40/286380540.db2.gz HHKMLUVELRMTAP-ZDUSSCGKSA-N 1 2 323.784 2.864 20 5 DFBDLO Cn1cc[nH+]c1[C@H](NCc1ccoc1)c1ccc([N+](=O)[O-])cc1 ZINC000353492620 286662889 /nfs/dbraw/zinc/66/28/89/286662889.db2.gz PUDDYHDXZWZFIS-OAHLLOKOSA-N 1 2 312.329 2.801 20 5 DFBDLO Cn1cc[nH+]c1[C@@H](NCc1ccoc1)c1ccc([N+](=O)[O-])cc1 ZINC000353492619 286662894 /nfs/dbraw/zinc/66/28/94/286662894.db2.gz PUDDYHDXZWZFIS-HNNXBMFYSA-N 1 2 312.329 2.801 20 5 DFBDLO COC(=O)c1cc(OCc2ccc(C)[nH+]c2C)ccc1[N+](=O)[O-] ZINC000185370162 158057285 /nfs/dbraw/zinc/05/72/85/158057285.db2.gz BLHXEWVVOSEYOI-UHFFFAOYSA-N 1 2 316.313 2.972 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](Oc2ccccn2)C1 ZINC000357016022 158348237 /nfs/dbraw/zinc/34/82/37/158348237.db2.gz PRPVZMNSDVOAFI-LBPRGKRZSA-N 1 2 317.320 2.782 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H](Oc2ccccn2)C1 ZINC000357016022 158348239 /nfs/dbraw/zinc/34/82/39/158348239.db2.gz PRPVZMNSDVOAFI-LBPRGKRZSA-N 1 2 317.320 2.782 20 5 DFBDLO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1ccccc1[N+](=O)[O-] ZINC000359953402 287053063 /nfs/dbraw/zinc/05/30/63/287053063.db2.gz WSVKMHKQNFFALN-NEPJUHHUSA-N 1 2 315.377 2.934 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)ccc1Cl ZINC000291358379 222339583 /nfs/dbraw/zinc/33/95/83/222339583.db2.gz YBCWCZZIOBKDKZ-JTQLQIEISA-N 1 2 320.723 2.698 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)ccc1Cl ZINC000291358379 222339587 /nfs/dbraw/zinc/33/95/87/222339587.db2.gz YBCWCZZIOBKDKZ-JTQLQIEISA-N 1 2 320.723 2.698 20 5 DFBDLO Cc1c(C(=O)N2CCC(n3cc[nH+]c3)CC2)cccc1[N+](=O)[O-] ZINC000299535662 229189388 /nfs/dbraw/zinc/18/93/88/229189388.db2.gz NYBGJNFITXUQBM-UHFFFAOYSA-N 1 2 314.345 2.577 20 5 DFBDLO Nc1ccc(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)c[nH+]1 ZINC000302657326 230336032 /nfs/dbraw/zinc/33/60/32/230336032.db2.gz AJDPOVDDMGONMH-UHFFFAOYSA-N 1 2 310.260 2.786 20 5 DFBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@@H](C)C[NH+]1CCOCC1 ZINC000302680384 230348188 /nfs/dbraw/zinc/34/81/88/230348188.db2.gz OTHDWGFDXFBMKC-NSHDSACASA-N 1 2 313.785 2.689 20 5 DFBDLO C[C@H](c1ccco1)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000069070500 425928348 /nfs/dbraw/zinc/92/83/48/425928348.db2.gz CKIVBCBOEISOAP-LLVKDONJSA-N 1 2 303.318 2.819 20 5 DFBDLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000069070500 425928350 /nfs/dbraw/zinc/92/83/50/425928350.db2.gz CKIVBCBOEISOAP-LLVKDONJSA-N 1 2 303.318 2.819 20 5 DFBDLO CN(C)C(=O)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000194183731 268094905 /nfs/dbraw/zinc/09/49/05/268094905.db2.gz GRDRUNITBLORQS-INIZCTEOSA-N 1 2 313.357 2.514 20 5 DFBDLO CC[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000317429263 268345416 /nfs/dbraw/zinc/34/54/16/268345416.db2.gz WCOXHURISUZWTR-YBJDMEARSA-N 1 2 300.318 2.599 20 5 DFBDLO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000167718810 426133075 /nfs/dbraw/zinc/13/30/75/426133075.db2.gz RSHUBPAUEBDZEH-BXUZGUMPSA-N 1 2 315.377 2.934 20 5 DFBDLO O=[N+]([O-])c1ccc(NCc2cccnc2-n2cc[nH+]c2)c(F)c1 ZINC000075667711 426080167 /nfs/dbraw/zinc/08/01/67/426080167.db2.gz VUDMJYWPQOSCGL-UHFFFAOYSA-N 1 2 313.292 2.927 20 5 DFBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc[nH+]cc2C)c1C ZINC000112496598 426080363 /nfs/dbraw/zinc/08/03/63/426080363.db2.gz NTRDFGYTACLGQA-UHFFFAOYSA-N 1 2 321.358 2.716 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)cs1 ZINC000079482818 426193717 /nfs/dbraw/zinc/19/37/17/426193717.db2.gz YHLGMWWYJLHYDP-UHFFFAOYSA-N 1 2 323.340 2.726 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCCN(CC(F)(F)F)CC2)cs1 ZINC000079482818 426193720 /nfs/dbraw/zinc/19/37/20/426193720.db2.gz YHLGMWWYJLHYDP-UHFFFAOYSA-N 1 2 323.340 2.726 20 5 DFBDLO Cc1cc(NCC[C@@H](C)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000338753105 268726175 /nfs/dbraw/zinc/72/61/75/268726175.db2.gz HJUPTHGIOAUCFX-SNVBAGLBSA-N 1 2 304.325 2.942 20 5 DFBDLO CC(C)CCNC(=O)[C@@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607482 426277592 /nfs/dbraw/zinc/27/75/92/426277592.db2.gz HYHJHBWDGDRVQI-CYBMUJFWSA-N 1 2 319.405 2.504 20 5 DFBDLO CC(C)CCNC(=O)[C@@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607482 426277593 /nfs/dbraw/zinc/27/75/93/426277593.db2.gz HYHJHBWDGDRVQI-CYBMUJFWSA-N 1 2 319.405 2.504 20 5 DFBDLO O=[N+]([O-])c1cnc(NCCCNc2cccc[nH+]2)c(Cl)c1 ZINC000122638124 426385829 /nfs/dbraw/zinc/38/58/29/426385829.db2.gz XIZODJQRSKFCFQ-UHFFFAOYSA-N 1 2 307.741 2.952 20 5 DFBDLO COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123641176 426445541 /nfs/dbraw/zinc/44/55/41/426445541.db2.gz BWPHVXBJYIZXOQ-TZMCWYRMSA-N 1 2 307.394 2.518 20 5 DFBDLO COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123641176 426445543 /nfs/dbraw/zinc/44/55/43/426445543.db2.gz BWPHVXBJYIZXOQ-TZMCWYRMSA-N 1 2 307.394 2.518 20 5 DFBDLO CCCC(=O)N[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000101563498 426484539 /nfs/dbraw/zinc/48/45/39/426484539.db2.gz NJLZZXDYYXOTBR-LBPRGKRZSA-N 1 2 311.407 2.537 20 5 DFBDLO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000101563498 426484540 /nfs/dbraw/zinc/48/45/40/426484540.db2.gz NJLZZXDYYXOTBR-LBPRGKRZSA-N 1 2 311.407 2.537 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000264135163 426503056 /nfs/dbraw/zinc/50/30/56/426503056.db2.gz XLNYUYJCCIBHLV-OAHLLOKOSA-N 1 2 316.361 2.674 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000264135163 426503060 /nfs/dbraw/zinc/50/30/60/426503060.db2.gz XLNYUYJCCIBHLV-OAHLLOKOSA-N 1 2 316.361 2.674 20 5 DFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000195176235 426504949 /nfs/dbraw/zinc/50/49/49/426504949.db2.gz ODLDYODFOIFIPQ-UHFFFAOYSA-N 1 2 323.312 2.941 20 5 DFBDLO CC(C)(C)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000280442432 426575955 /nfs/dbraw/zinc/57/59/55/426575955.db2.gz KMVJFMNDYZDNMO-AWEZNQCLSA-N 1 2 323.349 2.750 20 5 DFBDLO CC(C)(C)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000280442432 426575960 /nfs/dbraw/zinc/57/59/60/426575960.db2.gz KMVJFMNDYZDNMO-AWEZNQCLSA-N 1 2 323.349 2.750 20 5 DFBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000280569826 426602608 /nfs/dbraw/zinc/60/26/08/426602608.db2.gz LPZKDSFJKXIZGC-BONVTDFDSA-N 1 2 321.333 2.502 20 5 DFBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000280569826 426602612 /nfs/dbraw/zinc/60/26/12/426602612.db2.gz LPZKDSFJKXIZGC-BONVTDFDSA-N 1 2 321.333 2.502 20 5 DFBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3ccco3)CC2)c(Cl)c1 ZINC000265527773 426649655 /nfs/dbraw/zinc/64/96/55/426649655.db2.gz NCKOVYMTEFKSIG-UHFFFAOYSA-N 1 2 322.752 2.558 20 5 DFBDLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000280769169 426654022 /nfs/dbraw/zinc/65/40/22/426654022.db2.gz FZQLKZXVDPXYNS-NSHDSACASA-N 1 2 318.329 2.848 20 5 DFBDLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000280769169 426654024 /nfs/dbraw/zinc/65/40/24/426654024.db2.gz FZQLKZXVDPXYNS-NSHDSACASA-N 1 2 318.329 2.848 20 5 DFBDLO COc1cc(C[N@@H+]2CCOC3(CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000274330379 426746568 /nfs/dbraw/zinc/74/65/68/426746568.db2.gz RCBLCEDAESZIJC-UHFFFAOYSA-N 1 2 324.352 2.888 20 5 DFBDLO COc1cc(C[N@H+]2CCOC3(CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000274330379 426746573 /nfs/dbraw/zinc/74/65/73/426746573.db2.gz RCBLCEDAESZIJC-UHFFFAOYSA-N 1 2 324.352 2.888 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c(F)c1 ZINC000267008264 426811873 /nfs/dbraw/zinc/81/18/73/426811873.db2.gz GPGWAWCQJFZHFD-NEPJUHHUSA-N 1 2 322.258 2.622 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c(F)c1 ZINC000267008264 426811876 /nfs/dbraw/zinc/81/18/76/426811876.db2.gz GPGWAWCQJFZHFD-NEPJUHHUSA-N 1 2 322.258 2.622 20 5 DFBDLO CCCN1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1=O ZINC000189423289 426854010 /nfs/dbraw/zinc/85/40/10/426854010.db2.gz YAYJWKIAUBSXSL-CQSZACIVSA-N 1 2 319.405 2.909 20 5 DFBDLO CCCN1CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1=O ZINC000189423289 426854017 /nfs/dbraw/zinc/85/40/17/426854017.db2.gz YAYJWKIAUBSXSL-CQSZACIVSA-N 1 2 319.405 2.909 20 5 DFBDLO C[C@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccccc1[N+](=O)[O-] ZINC000266901634 426793249 /nfs/dbraw/zinc/79/32/49/426793249.db2.gz UGJCKQWKUILYKP-LBPRGKRZSA-N 1 2 315.377 2.764 20 5 DFBDLO COc1ccc(C[NH2+][C@H]2C[C@H](C)n3ccnc32)cc1[N+](=O)[O-] ZINC000295245421 426876101 /nfs/dbraw/zinc/87/61/01/426876101.db2.gz PPRWOZLTQFNMIV-JQWIXIFHSA-N 1 2 302.334 2.596 20 5 DFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(C(C)(C)C)no1 ZINC000282410133 426903982 /nfs/dbraw/zinc/90/39/82/426903982.db2.gz IKQREHQTRCJFKZ-UHFFFAOYSA-N 1 2 318.377 2.950 20 5 DFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(C(C)(C)C)no1 ZINC000282410133 426903987 /nfs/dbraw/zinc/90/39/87/426903987.db2.gz IKQREHQTRCJFKZ-UHFFFAOYSA-N 1 2 318.377 2.950 20 5 DFBDLO O=[N+]([O-])c1cnc2ccccc2c1SCC[NH+]1CCOCC1 ZINC000291553953 426913100 /nfs/dbraw/zinc/91/31/00/426913100.db2.gz BGXREYRECBVLJV-UHFFFAOYSA-N 1 2 319.386 2.567 20 5 DFBDLO C[N@H+](Cc1cnn(CC(F)F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000295442506 426960362 /nfs/dbraw/zinc/96/03/62/426960362.db2.gz UOCWTLQPCWHMAP-UHFFFAOYSA-N 1 2 310.304 2.688 20 5 DFBDLO C[N@@H+](Cc1cnn(CC(F)F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000295442506 426960367 /nfs/dbraw/zinc/96/03/67/426960367.db2.gz UOCWTLQPCWHMAP-UHFFFAOYSA-N 1 2 310.304 2.688 20 5 DFBDLO CC(C)[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCOC1 ZINC000292023345 427061529 /nfs/dbraw/zinc/06/15/29/427061529.db2.gz YMFSOIMFKZORFT-SNVBAGLBSA-N 1 2 300.305 2.872 20 5 DFBDLO CC(C)[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCOC1 ZINC000292023345 427061533 /nfs/dbraw/zinc/06/15/33/427061533.db2.gz YMFSOIMFKZORFT-SNVBAGLBSA-N 1 2 300.305 2.872 20 5 DFBDLO CC(C)c1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000190142772 427032023 /nfs/dbraw/zinc/03/20/23/427032023.db2.gz AUYFRKUTVPEJCK-LRDDRELGSA-N 1 2 319.405 2.804 20 5 DFBDLO CC(C)c1ccc(C[N@H+]2CC[C@H](C)C[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000190142772 427032030 /nfs/dbraw/zinc/03/20/30/427032030.db2.gz AUYFRKUTVPEJCK-LRDDRELGSA-N 1 2 319.405 2.804 20 5 DFBDLO CCn1cc([C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cn1 ZINC000295994176 427041986 /nfs/dbraw/zinc/04/19/86/427041986.db2.gz KDJGXFWFJUEKPR-SNVBAGLBSA-N 1 2 315.333 2.803 20 5 DFBDLO Nc1ccc(N2CC[C@H](CNc3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000283792033 427076935 /nfs/dbraw/zinc/07/69/35/427076935.db2.gz SDEFXVNZHINLDY-GFCCVEGCSA-N 1 2 313.361 2.510 20 5 DFBDLO Cc1ccoc1C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000292082896 427081960 /nfs/dbraw/zinc/08/19/60/427081960.db2.gz DOZMFKGJYTYUFV-UHFFFAOYSA-N 1 2 317.345 2.875 20 5 DFBDLO Cc1ccoc1C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000292082896 427081962 /nfs/dbraw/zinc/08/19/62/427081962.db2.gz DOZMFKGJYTYUFV-UHFFFAOYSA-N 1 2 317.345 2.875 20 5 DFBDLO CC1(C)C[C@@H](O)CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000296212576 427113120 /nfs/dbraw/zinc/11/31/20/427113120.db2.gz VTJWCIXEOSQDIK-NSHDSACASA-N 1 2 314.332 2.856 20 5 DFBDLO CC1(C)C[C@@H](O)CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000296212576 427113128 /nfs/dbraw/zinc/11/31/28/427113128.db2.gz VTJWCIXEOSQDIK-NSHDSACASA-N 1 2 314.332 2.856 20 5 DFBDLO CC[C@H](O)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000292241589 427143234 /nfs/dbraw/zinc/14/32/34/427143234.db2.gz JLVVFTZZNFDUHA-ZDUSSCGKSA-N 1 2 302.334 2.543 20 5 DFBDLO O=C(C=Cc1c[nH]c[nH+]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000284229111 427161429 /nfs/dbraw/zinc/16/14/29/427161429.db2.gz BMBANISNIBLEGC-FPYGCLRLSA-N 1 2 312.329 2.522 20 5 DFBDLO CC(C)c1noc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000285155686 427207974 /nfs/dbraw/zinc/20/79/74/427207974.db2.gz AEECVSIKEYNLAH-UHFFFAOYSA-N 1 2 304.350 2.776 20 5 DFBDLO CC(C)c1noc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000285155686 427207980 /nfs/dbraw/zinc/20/79/80/427207980.db2.gz AEECVSIKEYNLAH-UHFFFAOYSA-N 1 2 304.350 2.776 20 5 DFBDLO C[C@@H]([NH2+]Cc1nnc(C(C)(C)C)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000292978164 427210773 /nfs/dbraw/zinc/21/07/73/427210773.db2.gz QTCIUDRKRMKCLF-SNVBAGLBSA-N 1 2 303.366 2.861 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000277544784 427238893 /nfs/dbraw/zinc/23/88/93/427238893.db2.gz SHGIMKAQENJISA-KDKPCJNHSA-N 1 2 310.419 2.665 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000277544784 427238901 /nfs/dbraw/zinc/23/89/01/427238901.db2.gz SHGIMKAQENJISA-KDKPCJNHSA-N 1 2 310.419 2.665 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H]1CCC[C@@H]1OC(F)F ZINC000337305385 271492260 /nfs/dbraw/zinc/49/22/60/271492260.db2.gz RFPDIUYLVRZSFT-PWSUYJOCSA-N 1 2 302.277 2.550 20 5 DFBDLO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccncc1F ZINC000338374278 427286476 /nfs/dbraw/zinc/28/64/76/427286476.db2.gz UVTSUSPYWWPKQZ-VIFPVBQESA-N 1 2 315.308 2.856 20 5 DFBDLO O=[N+]([O-])c1c(F)cccc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000269835881 427286817 /nfs/dbraw/zinc/28/68/17/427286817.db2.gz AOTSJIPFCVKDOZ-LLVKDONJSA-N 1 2 302.309 2.820 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccncc1F ZINC000338356902 427275748 /nfs/dbraw/zinc/27/57/48/427275748.db2.gz NWJRXBNYNBONTI-SNVBAGLBSA-N 1 2 305.309 2.988 20 5 DFBDLO COc1cc(C[N@H+](C)Cc2ccncc2)c([N+](=O)[O-])cc1OC ZINC000183742934 427331625 /nfs/dbraw/zinc/33/16/25/427331625.db2.gz IRIFNBMJIGEEGL-UHFFFAOYSA-N 1 2 317.345 2.639 20 5 DFBDLO COc1cc(C[N@@H+](C)Cc2ccncc2)c([N+](=O)[O-])cc1OC ZINC000183742934 427331630 /nfs/dbraw/zinc/33/16/30/427331630.db2.gz IRIFNBMJIGEEGL-UHFFFAOYSA-N 1 2 317.345 2.639 20 5 DFBDLO Nc1ncc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000261935214 427346044 /nfs/dbraw/zinc/34/60/44/427346044.db2.gz DCQCYNYXCNEBDO-UHFFFAOYSA-N 1 2 304.375 2.798 20 5 DFBDLO Nc1ncc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000261935214 427346057 /nfs/dbraw/zinc/34/60/57/427346057.db2.gz DCQCYNYXCNEBDO-UHFFFAOYSA-N 1 2 304.375 2.798 20 5 DFBDLO CC[C@@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H](C)[S@]1=O ZINC000286069845 427415805 /nfs/dbraw/zinc/41/58/05/427415805.db2.gz RUZBTZKWAAEJQF-VOVHRLQGSA-N 1 2 310.419 2.887 20 5 DFBDLO CC[C@@H]1C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H](C)[S@]1=O ZINC000286069845 427415814 /nfs/dbraw/zinc/41/58/14/427415814.db2.gz RUZBTZKWAAEJQF-VOVHRLQGSA-N 1 2 310.419 2.887 20 5 DFBDLO COc1cc(C(=O)Nc2cc[nH+]cc2C)cc([N+](=O)[O-])c1C ZINC000191457533 427354280 /nfs/dbraw/zinc/35/42/80/427354280.db2.gz IGYYAFSSYNJJJO-UHFFFAOYSA-N 1 2 301.302 2.868 20 5 DFBDLO CCOc1cc(C[N@@H+]2C[C@H](C)O[C@@H](CC)C2)ccc1[N+](=O)[O-] ZINC000331198325 427368107 /nfs/dbraw/zinc/36/81/07/427368107.db2.gz ZCWFWGDUMFAYRO-JSGCOSHPSA-N 1 2 308.378 2.993 20 5 DFBDLO CCOc1cc(C[N@H+]2C[C@H](C)O[C@@H](CC)C2)ccc1[N+](=O)[O-] ZINC000331198325 427368111 /nfs/dbraw/zinc/36/81/11/427368111.db2.gz ZCWFWGDUMFAYRO-JSGCOSHPSA-N 1 2 308.378 2.993 20 5 DFBDLO COc1ccc([N+](=O)[O-])c(NCCc2cn3ccccc3[nH+]2)c1 ZINC000338644089 427422941 /nfs/dbraw/zinc/42/29/41/427422941.db2.gz ZNGYXWRVYQLVOV-UHFFFAOYSA-N 1 2 312.329 2.906 20 5 DFBDLO COCc1cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000297674164 427427112 /nfs/dbraw/zinc/42/71/12/427427112.db2.gz OTIIMNDPTOCPGW-NSHDSACASA-N 1 2 305.334 2.888 20 5 DFBDLO COCC[N@H+](Cc1ccco1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000298266886 427554107 /nfs/dbraw/zinc/55/41/07/427554107.db2.gz DYTOLKONCBSXBA-UHFFFAOYSA-N 1 2 320.345 2.845 20 5 DFBDLO COCC[N@@H+](Cc1ccco1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000298266886 427554110 /nfs/dbraw/zinc/55/41/10/427554110.db2.gz DYTOLKONCBSXBA-UHFFFAOYSA-N 1 2 320.345 2.845 20 5 DFBDLO O=[N+]([O-])c1ccc(NCc2cn3c([nH+]2)CCCC3)c([N+](=O)[O-])c1 ZINC000263769143 427563622 /nfs/dbraw/zinc/56/36/22/427563622.db2.gz JPDPKHBASXESCQ-UHFFFAOYSA-N 1 2 317.305 2.648 20 5 DFBDLO Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000184994606 427575116 /nfs/dbraw/zinc/57/51/16/427575116.db2.gz SURODOHIBJIZSH-JTQLQIEISA-N 1 2 320.374 2.649 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000339046181 427644879 /nfs/dbraw/zinc/64/48/79/427644879.db2.gz GRNIYFCRHLAHRD-CHWSQXEVSA-N 1 2 306.362 2.549 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000339046181 427644880 /nfs/dbraw/zinc/64/48/80/427644880.db2.gz GRNIYFCRHLAHRD-CHWSQXEVSA-N 1 2 306.362 2.549 20 5 DFBDLO CCc1nn(C)c(NCCCc2cccc(C)[nH+]2)c1[N+](=O)[O-] ZINC000343238853 272102194 /nfs/dbraw/zinc/10/21/94/272102194.db2.gz OLDDGLMUXRBVRW-UHFFFAOYSA-N 1 2 303.366 2.639 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](CO)c1ccc(Cl)cc1 ZINC000339080730 427668012 /nfs/dbraw/zinc/66/80/12/427668012.db2.gz MJSHUIQYKUNASI-AWEZNQCLSA-N 1 2 322.748 2.777 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1CNc1cc[nH+]c2ccncc12 ZINC000343483108 272157809 /nfs/dbraw/zinc/15/78/09/272157809.db2.gz UJYYCGGJGMOOLK-UHFFFAOYSA-N 1 2 310.313 2.581 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000298723133 427686265 /nfs/dbraw/zinc/68/62/65/427686265.db2.gz LJIDWYOXTATCFC-ZBFHGGJFSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000298723133 427686269 /nfs/dbraw/zinc/68/62/69/427686269.db2.gz LJIDWYOXTATCFC-ZBFHGGJFSA-N 1 2 306.362 2.747 20 5 DFBDLO COCC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCC[C@H]1C ZINC000339138162 427697755 /nfs/dbraw/zinc/69/77/55/427697755.db2.gz ULMSYZZMLZEYDY-DOMZBBRYSA-N 1 2 308.378 2.937 20 5 DFBDLO COCC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCC[C@H]1C ZINC000339138162 427697760 /nfs/dbraw/zinc/69/77/60/427697760.db2.gz ULMSYZZMLZEYDY-DOMZBBRYSA-N 1 2 308.378 2.937 20 5 DFBDLO CC1(C)C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]2CCC[C@H]2O1 ZINC000339161593 427710799 /nfs/dbraw/zinc/71/07/99/427710799.db2.gz STYDLEVIYIYGMX-LSDHHAIUSA-N 1 2 306.362 2.832 20 5 DFBDLO CC1(C)C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]2CCC[C@H]2O1 ZINC000339161593 427710805 /nfs/dbraw/zinc/71/08/05/427710805.db2.gz STYDLEVIYIYGMX-LSDHHAIUSA-N 1 2 306.362 2.832 20 5 DFBDLO C[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCOC[C@@H]1C ZINC000301267937 427785787 /nfs/dbraw/zinc/78/57/87/427785787.db2.gz WRFFXAPZNFRZCA-QWRGUYRKSA-N 1 2 313.785 2.769 20 5 DFBDLO C[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCOC[C@@H]1C ZINC000301267937 427785788 /nfs/dbraw/zinc/78/57/88/427785788.db2.gz WRFFXAPZNFRZCA-QWRGUYRKSA-N 1 2 313.785 2.769 20 5 DFBDLO CC(C)(C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000299076832 427747192 /nfs/dbraw/zinc/74/71/92/427747192.db2.gz BCQTXYLYPDGHTB-UHFFFAOYSA-N 1 2 302.334 2.556 20 5 DFBDLO CC(C)n1nccc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000337197841 427813381 /nfs/dbraw/zinc/81/33/81/427813381.db2.gz XRNQVFQFSKRHFE-UHFFFAOYSA-N 1 2 300.362 2.931 20 5 DFBDLO CC(C)n1nccc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000337197841 427813384 /nfs/dbraw/zinc/81/33/84/427813384.db2.gz XRNQVFQFSKRHFE-UHFFFAOYSA-N 1 2 300.362 2.931 20 5 DFBDLO Cc1cc(NCC(C)(C)CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301749364 427821108 /nfs/dbraw/zinc/82/11/08/427821108.db2.gz TXXUYOAKMNOTOU-UHFFFAOYSA-N 1 2 316.361 2.791 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339774869 427827330 /nfs/dbraw/zinc/82/73/30/427827330.db2.gz YCEHDENXRXZAEQ-INIZCTEOSA-N 1 2 320.389 2.994 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339774869 427827331 /nfs/dbraw/zinc/82/73/31/427827331.db2.gz YCEHDENXRXZAEQ-INIZCTEOSA-N 1 2 320.389 2.994 20 5 DFBDLO CN(C)c1ccc(CN(C)c2ccc([N+](=O)[O-])cc2F)c[nH+]1 ZINC000301843607 427828922 /nfs/dbraw/zinc/82/89/22/427828922.db2.gz KYAOCOSKIUHQCW-UHFFFAOYSA-N 1 2 304.325 2.831 20 5 DFBDLO Cc1cc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000302751363 427865202 /nfs/dbraw/zinc/86/52/02/427865202.db2.gz HDGRVPVHXPDEKW-OAHLLOKOSA-N 1 2 316.361 2.576 20 5 DFBDLO Cn1cc[nH+]c1CNc1cc(Br)cc([N+](=O)[O-])c1 ZINC000340605384 427900890 /nfs/dbraw/zinc/90/08/90/427900890.db2.gz GSNKSLHGWBJRPJ-UHFFFAOYSA-N 1 2 311.139 2.703 20 5 DFBDLO CC(C)(NC(=O)c1ccc2[nH+]ccn2c1)c1ccccc1[N+](=O)[O-] ZINC000345787637 427906463 /nfs/dbraw/zinc/90/64/63/427906463.db2.gz WEVMEQZJIQHLQM-UHFFFAOYSA-N 1 2 324.340 2.908 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@H](CO)CC3)c2c1 ZINC000413295566 428013634 /nfs/dbraw/zinc/01/36/34/428013634.db2.gz JERBOIWNCSXWDB-LBPRGKRZSA-N 1 2 301.346 2.742 20 5 DFBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3cn[nH]c3C2)c(Cl)c1 ZINC000359959614 428094771 /nfs/dbraw/zinc/09/47/71/428094771.db2.gz MVZWZBRUNHVEDZ-NSHDSACASA-N 1 2 306.753 2.618 20 5 DFBDLO C[C@@H]1COCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000370052455 428121563 /nfs/dbraw/zinc/12/15/63/428121563.db2.gz HHOFSXQFJSWUTI-JTQLQIEISA-N 1 2 316.304 2.665 20 5 DFBDLO C[C@@H]1COCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000370052455 428121568 /nfs/dbraw/zinc/12/15/68/428121568.db2.gz HHOFSXQFJSWUTI-JTQLQIEISA-N 1 2 316.304 2.665 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000370057626 428123872 /nfs/dbraw/zinc/12/38/72/428123872.db2.gz YPKRCKYJKBNTRM-AWEZNQCLSA-N 1 2 318.402 2.618 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000370057626 428123875 /nfs/dbraw/zinc/12/38/75/428123875.db2.gz YPKRCKYJKBNTRM-AWEZNQCLSA-N 1 2 318.402 2.618 20 5 DFBDLO Cc1c[nH+]ccc1CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352367783 428134132 /nfs/dbraw/zinc/13/41/32/428134132.db2.gz QTDAPMZBFAYBOI-UHFFFAOYSA-N 1 2 308.341 3.501 20 5 DFBDLO COc1cc(C[N@@H+]2CCOC3(CCCC3)C2)ccc1[N+](=O)[O-] ZINC000352535953 428138101 /nfs/dbraw/zinc/13/81/01/428138101.db2.gz XPVQHFOPERLTRC-UHFFFAOYSA-N 1 2 306.362 2.748 20 5 DFBDLO COc1cc(C[N@H+]2CCOC3(CCCC3)C2)ccc1[N+](=O)[O-] ZINC000352535953 428138105 /nfs/dbraw/zinc/13/81/05/428138105.db2.gz XPVQHFOPERLTRC-UHFFFAOYSA-N 1 2 306.362 2.748 20 5 DFBDLO COc1cc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)ccc1[N+](=O)[O-] ZINC000352545968 428144456 /nfs/dbraw/zinc/14/44/56/428144456.db2.gz NVUFEJLILKIJMP-MRXNPFEDSA-N 1 2 318.329 2.770 20 5 DFBDLO COc1cc(C[N@H+]2CCO[C@@H](c3ccco3)C2)ccc1[N+](=O)[O-] ZINC000352545968 428144461 /nfs/dbraw/zinc/14/44/61/428144461.db2.gz NVUFEJLILKIJMP-MRXNPFEDSA-N 1 2 318.329 2.770 20 5 DFBDLO CCOC(=O)[C@H](C)[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CC1 ZINC000346371378 428145708 /nfs/dbraw/zinc/14/57/08/428145708.db2.gz LWGGWIRUAXVUSX-NSHDSACASA-N 1 2 322.361 2.519 20 5 DFBDLO CCOC(=O)[C@H](C)[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CC1 ZINC000346371378 428145713 /nfs/dbraw/zinc/14/57/13/428145713.db2.gz LWGGWIRUAXVUSX-NSHDSACASA-N 1 2 322.361 2.519 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000341716449 428167312 /nfs/dbraw/zinc/16/73/12/428167312.db2.gz HBVVKFKENPGYFE-CQSZACIVSA-N 1 2 314.345 2.518 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000341720575 428169844 /nfs/dbraw/zinc/16/98/44/428169844.db2.gz QBAQNZYILIHKSE-CQSZACIVSA-N 1 2 314.345 2.518 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCc3ccc(O)cc3C2)c(F)c1 ZINC000352690229 428206583 /nfs/dbraw/zinc/20/65/83/428206583.db2.gz CKRPAHCRDVPVAV-UHFFFAOYSA-N 1 2 302.305 2.998 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCc3ccc(O)cc3C2)c(F)c1 ZINC000352690229 428206587 /nfs/dbraw/zinc/20/65/87/428206587.db2.gz CKRPAHCRDVPVAV-UHFFFAOYSA-N 1 2 302.305 2.998 20 5 DFBDLO C[C@@H](NC(=O)c1ccc2[nH+]ccn2c1)c1ccccc1[N+](=O)[O-] ZINC000341783871 428197350 /nfs/dbraw/zinc/19/73/50/428197350.db2.gz YKFCSQPBCSABES-LLVKDONJSA-N 1 2 310.313 2.734 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cs1 ZINC000352832812 428272513 /nfs/dbraw/zinc/27/25/13/428272513.db2.gz QADBLJNOKODZRZ-NSHDSACASA-N 1 2 324.324 2.936 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cs1 ZINC000352832812 428272516 /nfs/dbraw/zinc/27/25/16/428272516.db2.gz QADBLJNOKODZRZ-NSHDSACASA-N 1 2 324.324 2.936 20 5 DFBDLO O=[N+]([O-])c1c(F)cccc1NCc1cccnc1-n1cc[nH+]c1 ZINC000377992574 428280378 /nfs/dbraw/zinc/28/03/78/428280378.db2.gz BRDQZJSZWKZZES-UHFFFAOYSA-N 1 2 313.292 2.927 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1c1[nH+]ccn1C ZINC000371468823 428391600 /nfs/dbraw/zinc/39/16/00/428391600.db2.gz BOTSZKDOSQMPBW-CQSZACIVSA-N 1 2 314.345 2.614 20 5 DFBDLO O=C1OCCC12CC[NH+](Cc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC000371145409 428368692 /nfs/dbraw/zinc/36/86/92/428368692.db2.gz BLLKZLRNFOVOBZ-UHFFFAOYSA-N 1 2 324.764 2.777 20 5 DFBDLO C[NH+](C)Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)ccc1Cl ZINC000343852694 428583444 /nfs/dbraw/zinc/58/34/44/428583444.db2.gz HSZFZHFUCHMTDE-UHFFFAOYSA-N 1 2 322.752 2.890 20 5 DFBDLO O=[N+]([O-])c1cc(CNc2ccc(N3CCCC3)c[nH+]2)cs1 ZINC000343361873 428547189 /nfs/dbraw/zinc/54/71/89/428547189.db2.gz PYECKSAWDNGZGQ-UHFFFAOYSA-N 1 2 304.375 3.264 20 5 DFBDLO Cc1noc([C@@H]2CCC[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)n1 ZINC000353566156 428597117 /nfs/dbraw/zinc/59/71/17/428597117.db2.gz DIMRWZARDAAVTL-AWEZNQCLSA-N 1 2 318.333 2.502 20 5 DFBDLO Cc1noc([C@@H]2CCC[N@H+]2CCOc2cccc([N+](=O)[O-])c2)n1 ZINC000353566156 428597123 /nfs/dbraw/zinc/59/71/23/428597123.db2.gz DIMRWZARDAAVTL-AWEZNQCLSA-N 1 2 318.333 2.502 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cnn3ccccc13)CC2 ZINC000353589147 428609614 /nfs/dbraw/zinc/60/96/14/428609614.db2.gz OXELSNPNDQEFLV-UHFFFAOYSA-N 1 2 308.341 2.801 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cnn3ccccc13)CC2 ZINC000353589147 428609619 /nfs/dbraw/zinc/60/96/19/428609619.db2.gz OXELSNPNDQEFLV-UHFFFAOYSA-N 1 2 308.341 2.801 20 5 DFBDLO Cn1ccnc1[C@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000348296670 428697485 /nfs/dbraw/zinc/69/74/85/428697485.db2.gz XAYRIHMXXKDCIF-RWMBFGLXSA-N 1 2 322.315 2.661 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000362391266 428728745 /nfs/dbraw/zinc/72/87/45/428728745.db2.gz FYSWGVXXCBCVMD-ZDUSSCGKSA-N 1 2 313.361 2.774 20 5 DFBDLO Cc1cnc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000348399820 428730241 /nfs/dbraw/zinc/73/02/41/428730241.db2.gz DLYLJJNXAYFXBT-QWRGUYRKSA-N 1 2 318.333 2.569 20 5 DFBDLO CCCC(=O)N1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000363050541 428848619 /nfs/dbraw/zinc/84/86/19/428848619.db2.gz HCJYIGIIJYKYNM-UHFFFAOYSA-N 1 2 323.368 2.568 20 5 DFBDLO CCCC(=O)N1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000363050541 428848622 /nfs/dbraw/zinc/84/86/22/428848622.db2.gz HCJYIGIIJYKYNM-UHFFFAOYSA-N 1 2 323.368 2.568 20 5 DFBDLO CCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H](C)C(=O)OCC ZINC000411640596 428831243 /nfs/dbraw/zinc/83/12/43/428831243.db2.gz JBDPBMPDXLFRAU-GFCCVEGCSA-N 1 2 324.377 2.767 20 5 DFBDLO CCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H](C)C(=O)OCC ZINC000411640596 428831247 /nfs/dbraw/zinc/83/12/47/428831247.db2.gz JBDPBMPDXLFRAU-GFCCVEGCSA-N 1 2 324.377 2.767 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411841514 428864935 /nfs/dbraw/zinc/86/49/35/428864935.db2.gz GGYIRWIUGRTQEP-INIZCTEOSA-N 1 2 306.362 2.604 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000411841514 428864942 /nfs/dbraw/zinc/86/49/42/428864942.db2.gz GGYIRWIUGRTQEP-INIZCTEOSA-N 1 2 306.362 2.604 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411924610 428882773 /nfs/dbraw/zinc/88/27/73/428882773.db2.gz MGIRDWGBCIVEHS-DOTOQJQBSA-N 1 2 314.341 2.608 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411924610 428882778 /nfs/dbraw/zinc/88/27/78/428882778.db2.gz MGIRDWGBCIVEHS-DOTOQJQBSA-N 1 2 314.341 2.608 20 5 DFBDLO Cc1nnc([C@H]2CC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)[nH]1 ZINC000412049962 428930431 /nfs/dbraw/zinc/93/04/31/428930431.db2.gz ZLRBKIVLGCKDET-JTQLQIEISA-N 1 2 321.768 2.664 20 5 DFBDLO Cc1nnc([C@H]2CC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)[nH]1 ZINC000412049962 428930433 /nfs/dbraw/zinc/93/04/33/428930433.db2.gz ZLRBKIVLGCKDET-JTQLQIEISA-N 1 2 321.768 2.664 20 5 DFBDLO Cc1n[nH]c([C@H]2CC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)n1 ZINC000412049962 428930439 /nfs/dbraw/zinc/93/04/39/428930439.db2.gz ZLRBKIVLGCKDET-JTQLQIEISA-N 1 2 321.768 2.664 20 5 DFBDLO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)n1 ZINC000412049962 428930441 /nfs/dbraw/zinc/93/04/41/428930441.db2.gz ZLRBKIVLGCKDET-JTQLQIEISA-N 1 2 321.768 2.664 20 5 DFBDLO Cc1nc([C@H]2CC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)n[nH]1 ZINC000412049962 428930446 /nfs/dbraw/zinc/93/04/46/428930446.db2.gz ZLRBKIVLGCKDET-JTQLQIEISA-N 1 2 321.768 2.664 20 5 DFBDLO Cc1nc([C@H]2CC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)n[nH]1 ZINC000412049962 428930450 /nfs/dbraw/zinc/93/04/50/428930450.db2.gz ZLRBKIVLGCKDET-JTQLQIEISA-N 1 2 321.768 2.664 20 5 DFBDLO CN(CCc1ccccc1[N+](=O)[O-])c1cccc(-n2cc[nH+]c2)n1 ZINC000376261959 429085573 /nfs/dbraw/zinc/08/55/73/429085573.db2.gz KERFJXYMHSLPFS-UHFFFAOYSA-N 1 2 323.356 2.854 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCc3nncn3C3CC3)c2c1 ZINC000413133938 429144544 /nfs/dbraw/zinc/14/45/44/429144544.db2.gz CRRVGMSTEYWMAN-UHFFFAOYSA-N 1 2 310.317 2.682 20 5 DFBDLO Nc1ccc(N[C@H]2CCCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000376450281 429115569 /nfs/dbraw/zinc/11/55/69/429115569.db2.gz PXMBFIALKHUIPS-ZDUSSCGKSA-N 1 2 313.361 2.653 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCc3nnc4n3CCCC4)c2c1 ZINC000413059361 429129354 /nfs/dbraw/zinc/12/93/54/429129354.db2.gz FKEVCOPREDMMPQ-UHFFFAOYSA-N 1 2 324.344 2.683 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@@H](n4cncn4)C3)c2c1 ZINC000413123464 429142325 /nfs/dbraw/zinc/14/23/25/429142325.db2.gz CKOVFMUCFBACJD-CQSZACIVSA-N 1 2 324.344 2.576 20 5 DFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000456383602 429294859 /nfs/dbraw/zinc/29/48/59/429294859.db2.gz LIRGHWGCFGGHAN-QMMMGPOBSA-N 1 2 308.363 2.672 20 5 DFBDLO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cccc2[nH+]ccn21 ZINC000446040739 429295239 /nfs/dbraw/zinc/29/52/39/429295239.db2.gz CZLCNCPNASDCMK-UHFFFAOYSA-N 1 2 310.313 2.814 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456396571 429297584 /nfs/dbraw/zinc/29/75/84/429297584.db2.gz SULILIPHCPDPJM-ZWNOBZJWSA-N 1 2 300.318 2.536 20 5 DFBDLO C[C@H]1C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456437761 429306967 /nfs/dbraw/zinc/30/69/67/429306967.db2.gz XCFLTXCHTXLFBT-FZMZJTMJSA-N 1 2 314.345 2.546 20 5 DFBDLO CCCC[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000449244019 429364849 /nfs/dbraw/zinc/36/48/49/429364849.db2.gz PABOVEWPKNZILP-JSGCOSHPSA-N 1 2 308.378 2.847 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1cccc(C)n1 ZINC000430200172 429662023 /nfs/dbraw/zinc/66/20/23/429662023.db2.gz GDIAZCPDEZWLMK-UHFFFAOYSA-N 1 2 301.346 2.939 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1cccc(C)n1 ZINC000430200172 429662028 /nfs/dbraw/zinc/66/20/28/429662028.db2.gz GDIAZCPDEZWLMK-UHFFFAOYSA-N 1 2 301.346 2.939 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)n1 ZINC000450655084 429672321 /nfs/dbraw/zinc/67/23/21/429672321.db2.gz YHEPDVZBQDNVLL-ZDUSSCGKSA-N 1 2 315.377 2.928 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC(C)=C[C@H](C)C1 ZINC000430283494 429672401 /nfs/dbraw/zinc/67/24/01/429672401.db2.gz JSDSMHPLSVALSS-NSHDSACASA-N 1 2 303.362 2.740 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC(C)=C[C@H](C)C1 ZINC000430283494 429672408 /nfs/dbraw/zinc/67/24/08/429672408.db2.gz JSDSMHPLSVALSS-NSHDSACASA-N 1 2 303.362 2.740 20 5 DFBDLO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1COC1 ZINC000451291601 429804513 /nfs/dbraw/zinc/80/45/13/429804513.db2.gz PXNKFLBHQZKQPY-UHFFFAOYSA-N 1 2 304.268 2.834 20 5 DFBDLO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1COC1 ZINC000451291601 429804518 /nfs/dbraw/zinc/80/45/18/429804518.db2.gz PXNKFLBHQZKQPY-UHFFFAOYSA-N 1 2 304.268 2.834 20 5 DFBDLO O=C1OCCC12CC[NH+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC2 ZINC000368444814 429850572 /nfs/dbraw/zinc/85/05/72/429850572.db2.gz DYYJOJJTDLEUHC-UHFFFAOYSA-N 1 2 324.764 2.777 20 5 DFBDLO CCOC(=O)[C@@H](CC(C)C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000542003017 430199831 /nfs/dbraw/zinc/19/98/31/430199831.db2.gz GZFNIZVMHRYXRP-MRXNPFEDSA-N 1 2 320.389 2.931 20 5 DFBDLO CCOC(=O)[C@@H](CC(C)C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000542003017 430199836 /nfs/dbraw/zinc/19/98/36/430199836.db2.gz GZFNIZVMHRYXRP-MRXNPFEDSA-N 1 2 320.389 2.931 20 5 DFBDLO Cc1cccc(CCNc2ccc([N+](=O)[O-])c(OC(C)C)n2)[nH+]1 ZINC000568882006 430402365 /nfs/dbraw/zinc/40/23/65/430402365.db2.gz UMUPGLAPFQJZLU-UHFFFAOYSA-N 1 2 316.361 3.135 20 5 DFBDLO CCc1cc(NCCCNc2ccc(C)cc2[N+](=O)[O-])nc[nH+]1 ZINC000610077349 430563987 /nfs/dbraw/zinc/56/39/87/430563987.db2.gz SEWROVAWOKTERP-UHFFFAOYSA-N 1 2 315.377 3.170 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000301598442 278932335 /nfs/dbraw/zinc/93/23/35/278932335.db2.gz TYDXLVIPHHYGMW-LBPRGKRZSA-N 1 2 320.418 2.517 20 5 DFBDLO CC(C)Cn1ncnc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292167764 279265837 /nfs/dbraw/zinc/26/58/37/279265837.db2.gz PHIVPVQLXJQHGH-UHFFFAOYSA-N 1 2 317.393 2.867 20 5 DFBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120201673 280190646 /nfs/dbraw/zinc/19/06/46/280190646.db2.gz XBYMXEQVKQFEIS-ZDUSSCGKSA-N 1 2 300.318 2.685 20 5 DFBDLO COC(=O)C1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCCCC1 ZINC000154785162 295306631 /nfs/dbraw/zinc/30/66/31/295306631.db2.gz RULFFUNBQDBRBL-UHFFFAOYSA-N 1 2 320.389 2.993 20 5 DFBDLO Cn1c[nH+]c2cc(Nc3nc4sccn4c3[N+](=O)[O-])ccc21 ZINC000439701874 297135558 /nfs/dbraw/zinc/13/55/58/297135558.db2.gz LPEWOMSKNACWJM-UHFFFAOYSA-N 1 2 314.330 2.934 20 5 DFBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(C(F)F)CC3)nc2c1 ZINC000444641840 297242908 /nfs/dbraw/zinc/24/29/08/297242908.db2.gz RZJUMHLJCWNBGQ-UHFFFAOYSA-N 1 2 310.304 2.948 20 5 DFBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1NCC[N@H+]1CCOC[C@@H]1C ZINC000444826948 297253441 /nfs/dbraw/zinc/25/34/41/297253441.db2.gz PQFBBZLQFFZDSM-NSHDSACASA-N 1 2 313.785 2.689 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2ncsc2C1 ZINC000446084041 297275286 /nfs/dbraw/zinc/27/52/86/297275286.db2.gz VFFDLYYUKHHCFU-UHFFFAOYSA-N 1 2 305.359 2.618 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2ncsc2C1 ZINC000446084041 297275288 /nfs/dbraw/zinc/27/52/88/297275288.db2.gz VFFDLYYUKHHCFU-UHFFFAOYSA-N 1 2 305.359 2.618 20 5 DFBDLO Cc1csc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC000446850845 297288870 /nfs/dbraw/zinc/28/88/70/297288870.db2.gz DPLQJBLIPAGOLY-UHFFFAOYSA-N 1 2 303.347 2.526 20 5 DFBDLO O=[N+]([O-])c1ccc(CN[C@@H](c2[nH]cc[nH+]2)c2ccccn2)cc1 ZINC000447579628 297309263 /nfs/dbraw/zinc/30/92/63/297309263.db2.gz KWNCMFTXHAKAAC-OAHLLOKOSA-N 1 2 309.329 2.592 20 5 DFBDLO O=[N+]([O-])c1cccc(CC[NH2+][C@@H](c2ncc[nH]2)c2ccccn2)c1 ZINC000447584102 297309455 /nfs/dbraw/zinc/30/94/55/297309455.db2.gz DTYSVOYJUNINMZ-MRXNPFEDSA-N 1 2 323.356 2.635 20 5 DFBDLO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000449514825 297484620 /nfs/dbraw/zinc/48/46/20/297484620.db2.gz XBDHOHSCTGENAB-KGLIPLIRSA-N 1 2 322.361 2.512 20 5 DFBDLO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H]1C ZINC000450047469 297580714 /nfs/dbraw/zinc/58/07/14/297580714.db2.gz VIWOIBCCSAHZGG-VXGBXAGGSA-N 1 2 314.345 2.651 20 5 DFBDLO CC(C)([NH2+]Cc1cn(CC2CC2)nn1)c1ccccc1[N+](=O)[O-] ZINC000451058790 297739321 /nfs/dbraw/zinc/73/93/21/297739321.db2.gz VTUDYNOURDWMPI-UHFFFAOYSA-N 1 2 315.377 2.621 20 5 DFBDLO CC(C)OC(=O)[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C(C)C ZINC000451602476 297843166 /nfs/dbraw/zinc/84/31/66/297843166.db2.gz IIQREXOVKOBEEB-HNNXBMFYSA-N 1 2 324.377 2.539 20 5 DFBDLO Cc1cc(C(=O)Nc2c[nH+]c3n2CCCC3)ccc1[N+](=O)[O-] ZINC000452338014 297960597 /nfs/dbraw/zinc/96/05/97/297960597.db2.gz AQMPYEDXDKSBDO-UHFFFAOYSA-N 1 2 300.318 2.688 20 5 DFBDLO C[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456359846 298506306 /nfs/dbraw/zinc/50/63/06/298506306.db2.gz YIMWWKIPQYOLRP-LDYMZIIASA-N 1 2 320.736 2.881 20 5 DFBDLO CC(C)(C)Oc1cc(N2CCn3cc[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000516266136 300337407 /nfs/dbraw/zinc/33/74/07/300337407.db2.gz NBDZCOXHTCBTEJ-UHFFFAOYSA-N 1 2 316.361 2.989 20 5 DFBDLO Cc1[nH+]c2cc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)ccc2n1C ZINC000525730760 300603842 /nfs/dbraw/zinc/60/38/42/300603842.db2.gz GACBYAZCZNODKO-UHFFFAOYSA-N 1 2 324.340 2.971 20 5 DFBDLO CCNc1ccc(C(=O)Nc2cc(C)[nH+]cc2C)cc1[N+](=O)[O-] ZINC000536574968 301280239 /nfs/dbraw/zinc/28/02/39/301280239.db2.gz MWQWYKAICGYRTQ-UHFFFAOYSA-N 1 2 314.345 2.713 20 5 DFBDLO CCOC(=O)[C@H](CC(C)C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000548066704 301563358 /nfs/dbraw/zinc/56/33/58/301563358.db2.gz DOLNVROBHWKKBS-AWEZNQCLSA-N 1 2 308.378 2.705 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000129861860 301854554 /nfs/dbraw/zinc/85/45/54/301854554.db2.gz XBTSPVXTCIZUHR-BXUZGUMPSA-N 1 2 301.350 2.582 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000408352534 301869567 /nfs/dbraw/zinc/86/95/67/301869567.db2.gz RHLHQEGQOWIANK-AVGNSLFASA-N 1 2 310.419 2.806 20 5 DFBDLO C[C@H](CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C)n1cc[nH+]c1 ZINC000565367487 302221627 /nfs/dbraw/zinc/22/16/27/302221627.db2.gz KTUOQPZCULEZLF-NEPJUHHUSA-N 1 2 314.345 2.720 20 5 DFBDLO C[N@@H+]1CCO[C@H](CSc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000566734746 302308257 /nfs/dbraw/zinc/30/82/57/302308257.db2.gz HKBYAUJGFUJHQR-LBPRGKRZSA-N 1 2 319.386 2.566 20 5 DFBDLO C[N@H+]1CCO[C@H](CSc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000566734746 302308260 /nfs/dbraw/zinc/30/82/60/302308260.db2.gz HKBYAUJGFUJHQR-LBPRGKRZSA-N 1 2 319.386 2.566 20 5 DFBDLO CCn1cc[nH+]c1CNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000568622954 302464368 /nfs/dbraw/zinc/46/43/68/302464368.db2.gz JBGGXEUUJOEGKX-UHFFFAOYSA-N 1 2 301.350 2.697 20 5 DFBDLO Cc1c[nH]c(C(C)(C)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[nH+]1 ZINC000572533249 302668019 /nfs/dbraw/zinc/66/80/19/302668019.db2.gz ZMBLRAPOCAMIKQ-UHFFFAOYSA-N 1 2 322.752 2.945 20 5 DFBDLO CC(=O)Nc1nc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000180415545 316032557 /nfs/dbraw/zinc/03/25/57/316032557.db2.gz AGZRZNQFBXVZDE-SECBINFHSA-N 1 2 320.374 2.861 20 5 DFBDLO Cc1ccc([C@H](C)[NH2+]Cc2nnc(C3CC3)n2C)cc1[N+](=O)[O-] ZINC000181808893 316073596 /nfs/dbraw/zinc/07/35/96/316073596.db2.gz XSIYKUWVOGDBDE-NSHDSACASA-N 1 2 315.377 2.760 20 5 DFBDLO CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C12CCC2 ZINC000449630674 317046165 /nfs/dbraw/zinc/04/61/65/317046165.db2.gz ILSKTWWXNUXOGM-CABCVRRESA-N 1 2 306.362 2.690 20 5 DFBDLO CO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C12CCC2 ZINC000449630674 317046168 /nfs/dbraw/zinc/04/61/68/317046168.db2.gz ILSKTWWXNUXOGM-CABCVRRESA-N 1 2 306.362 2.690 20 5 DFBDLO Cn1cc[nH+]c1[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000450523912 317106576 /nfs/dbraw/zinc/10/65/76/317106576.db2.gz AIXFKHFHCCRGRG-CYBMUJFWSA-N 1 2 312.333 2.768 20 5 DFBDLO O=[N+]([O-])c1ccc([C@H](NCCn2cc[nH+]c2)C(F)(F)F)cc1 ZINC000575873766 318089096 /nfs/dbraw/zinc/08/90/96/318089096.db2.gz BKWFILDVFBJJBL-LBPRGKRZSA-N 1 2 314.267 2.685 20 5 DFBDLO C[NH+](C)Cc1ccccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000577102363 318171556 /nfs/dbraw/zinc/17/15/56/318171556.db2.gz ZWWLZOQCLWIAIL-UHFFFAOYSA-N 1 2 315.329 2.614 20 5 DFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000584588610 337370224 /nfs/dbraw/zinc/37/02/24/337370224.db2.gz RKDZEOLYYZGHPN-IUODEOHRSA-N 1 2 308.403 2.864 20 5 DFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000584588610 337370225 /nfs/dbraw/zinc/37/02/25/337370225.db2.gz RKDZEOLYYZGHPN-IUODEOHRSA-N 1 2 308.403 2.864 20 5 DFBDLO CC(=O)Nc1nc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000296694098 527101280 /nfs/dbraw/zinc/10/12/80/527101280.db2.gz KBTHSMTYNSTPBL-VIFPVBQESA-N 1 2 320.374 2.861 20 5 DFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+](CCO)Cc1cccnc1 ZINC000156727506 527333142 /nfs/dbraw/zinc/33/31/42/527333142.db2.gz VXSBQWBEYSGMHJ-UHFFFAOYSA-N 1 2 321.764 2.638 20 5 DFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+](CCO)Cc1cccnc1 ZINC000156727506 527333145 /nfs/dbraw/zinc/33/31/45/527333145.db2.gz VXSBQWBEYSGMHJ-UHFFFAOYSA-N 1 2 321.764 2.638 20 5 DFBDLO CCOc1cccc(NC[C@@H](C)[N@@H+]2CCOC[C@H]2C)c1[N+](=O)[O-] ZINC000302238167 528674443 /nfs/dbraw/zinc/67/44/43/528674443.db2.gz WOJSAIIKHMFTPQ-CHWSQXEVSA-N 1 2 323.393 2.515 20 5 DFBDLO CCOc1cccc(NC[C@@H](C)[N@H+]2CCOC[C@H]2C)c1[N+](=O)[O-] ZINC000302238167 528674449 /nfs/dbraw/zinc/67/44/49/528674449.db2.gz WOJSAIIKHMFTPQ-CHWSQXEVSA-N 1 2 323.393 2.515 20 5 DFBDLO C[NH+](C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1Cl ZINC000357961757 536015847 /nfs/dbraw/zinc/01/58/47/536015847.db2.gz NUCWAIICZGAYJY-UHFFFAOYSA-N 1 2 322.752 2.890 20 5 DFBDLO CCc1cc(NCC(C)(C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301173496 529553538 /nfs/dbraw/zinc/55/35/38/529553538.db2.gz VMVLUJBDMJTASD-UHFFFAOYSA-N 1 2 316.361 2.797 20 5 DFBDLO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000090223826 185287494 /nfs/dbraw/zinc/28/74/94/185287494.db2.gz JYNZKADSYFXQGD-RISCZKNCSA-N 1 2 315.377 2.989 20 5 DFBDLO CC[C@@H]([NH2+]Cc1nc(C2CC2)nn1C)c1cccc([N+](=O)[O-])c1 ZINC000592100637 398383144 /nfs/dbraw/zinc/38/31/44/398383144.db2.gz YHGXKFUFWLILGP-CQSZACIVSA-N 1 2 315.377 2.842 20 5 DFBDLO CC[C@H]([NH2+]Cc1nnc(C)n1CC)c1cccc([N+](=O)[O-])c1 ZINC000181530437 199311718 /nfs/dbraw/zinc/31/17/18/199311718.db2.gz HJLWQHYTLJSAOO-AWEZNQCLSA-N 1 2 303.366 2.756 20 5 DFBDLO CC[C@H]([NH2+]Cc1nc([C@H](C)OC)no1)c1cccc([N+](=O)[O-])c1 ZINC000181533018 199313143 /nfs/dbraw/zinc/31/31/43/199313143.db2.gz IHTJHEVSTYWYDT-GWCFXTLKSA-N 1 2 320.349 2.926 20 5 DFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCC1=CCCC1 ZINC000596518148 398436905 /nfs/dbraw/zinc/43/69/05/398436905.db2.gz SFKVFXJQGBAKPS-UHFFFAOYSA-N 1 2 317.389 2.949 20 5 DFBDLO C[C@H](Nc1ncc([N+](=O)[O-])cc1C(F)(F)F)c1[nH+]ccn1C ZINC000596543256 398443183 /nfs/dbraw/zinc/44/31/83/398443183.db2.gz PXZBCTRYQWLJIW-ZETCQYMHSA-N 1 2 315.255 2.915 20 5 DFBDLO Cc1[nH+]c2n(c1C)CCN(Cc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC000586762275 398454127 /nfs/dbraw/zinc/45/41/27/398454127.db2.gz ILXCJGCVYFFOQK-UHFFFAOYSA-N 1 2 322.315 2.702 20 5 DFBDLO CN(C)c1cc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc[nH+]1 ZINC000030001141 398495069 /nfs/dbraw/zinc/49/50/69/398495069.db2.gz KGKMTFLMZQFZJA-UHFFFAOYSA-N 1 2 317.305 2.576 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000596838086 398510913 /nfs/dbraw/zinc/51/09/13/398510913.db2.gz JGZRYAZYKNXERP-UHFFFAOYSA-N 1 2 303.322 2.599 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000596838086 398510915 /nfs/dbraw/zinc/51/09/15/398510915.db2.gz JGZRYAZYKNXERP-UHFFFAOYSA-N 1 2 303.322 2.599 20 5 DFBDLO CC(C)CCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032163617 398526087 /nfs/dbraw/zinc/52/60/87/398526087.db2.gz XJQYJPTXEBKEBK-UHFFFAOYSA-N 1 2 316.361 2.947 20 5 DFBDLO CC(C)[C@H](C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032245509 398527110 /nfs/dbraw/zinc/52/71/10/398527110.db2.gz FEXOOMDQLSZZGO-LBPRGKRZSA-N 1 2 316.361 2.897 20 5 DFBDLO COc1ccc(C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000279712461 215083858 /nfs/dbraw/zinc/08/38/58/215083858.db2.gz IBJCMDFRCKHMOM-OAHLLOKOSA-N 1 2 308.378 2.850 20 5 DFBDLO COc1ccc(C[N@H+]2CCO[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000279712461 215083861 /nfs/dbraw/zinc/08/38/61/215083861.db2.gz IBJCMDFRCKHMOM-OAHLLOKOSA-N 1 2 308.378 2.850 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)[C@H](CC)CO1 ZINC000593059640 398534842 /nfs/dbraw/zinc/53/48/42/398534842.db2.gz RPRMVHNQDZFQCI-UKRRQHHQSA-N 1 2 308.378 2.993 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)[C@H](CC)CO1 ZINC000593059640 398534846 /nfs/dbraw/zinc/53/48/46/398534846.db2.gz RPRMVHNQDZFQCI-UKRRQHHQSA-N 1 2 308.378 2.993 20 5 DFBDLO COc1ccc(C[NH2+][C@@H](C)c2cc3n(n2)CCC3)cc1[N+](=O)[O-] ZINC000414086688 295765896 /nfs/dbraw/zinc/76/58/96/295765896.db2.gz ZUMALCYTPSYJKZ-NSHDSACASA-N 1 2 316.361 2.597 20 5 DFBDLO CCOC(=O)c1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)o1 ZINC000589198389 398537124 /nfs/dbraw/zinc/53/71/24/398537124.db2.gz WXGZUUKDLSGRSP-UHFFFAOYSA-N 1 2 310.331 2.716 20 5 DFBDLO COCCCOC1C[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000459599270 299144400 /nfs/dbraw/zinc/14/44/00/299144400.db2.gz XMBFKWPKZGBRLJ-ZROIWOOFSA-N 1 2 320.389 2.735 20 5 DFBDLO CC1(C)C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1[C@H]1CCCO1 ZINC000589520404 398558296 /nfs/dbraw/zinc/55/82/96/398558296.db2.gz HCKMUPXSIKGZOF-HUUCEWRRSA-N 1 2 306.362 2.690 20 5 DFBDLO CC1(C)C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1[C@H]1CCCO1 ZINC000589520404 398558299 /nfs/dbraw/zinc/55/82/99/398558299.db2.gz HCKMUPXSIKGZOF-HUUCEWRRSA-N 1 2 306.362 2.690 20 5 DFBDLO COCC1(C[NH+]=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCCCC1 ZINC000589608623 398563319 /nfs/dbraw/zinc/56/33/19/398563319.db2.gz TZKWWJQDSJCICV-UHFFFAOYSA-N 1 2 318.377 2.902 20 5 DFBDLO C[C@@H](CNc1ccc([N+](=O)[O-])cc1F)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000042098442 398582019 /nfs/dbraw/zinc/58/20/19/398582019.db2.gz CKJKUXHQWFKUPT-SDDRHHMPSA-N 1 2 311.357 2.644 20 5 DFBDLO C[C@@H](CNc1ccc([N+](=O)[O-])cc1F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000042098442 398582021 /nfs/dbraw/zinc/58/20/21/398582021.db2.gz CKJKUXHQWFKUPT-SDDRHHMPSA-N 1 2 311.357 2.644 20 5 DFBDLO O=[N+]([O-])c1ccc(SCC[NH+]2CCOCC2)c2ncccc12 ZINC000092584545 398586847 /nfs/dbraw/zinc/58/68/47/398586847.db2.gz RLEAXXLDODFKOM-UHFFFAOYSA-N 1 2 319.386 2.567 20 5 DFBDLO Cc1c(NC(=O)Cc2cn3c([nH+]2)CCCC3)cccc1[N+](=O)[O-] ZINC000593383324 398615020 /nfs/dbraw/zinc/61/50/20/398615020.db2.gz FKZKNWCMBOQZQI-UHFFFAOYSA-N 1 2 314.345 2.617 20 5 DFBDLO Cc1c(NC(=O)NCCNc2cccc[nH+]2)cccc1[N+](=O)[O-] ZINC000043347844 398620088 /nfs/dbraw/zinc/62/00/88/398620088.db2.gz AYJHEMNIOMMYRW-UHFFFAOYSA-N 1 2 315.333 2.532 20 5 DFBDLO O=[N+]([O-])c1cc(Br)ccc1N1CCc2[nH+]c[nH]c2C1 ZINC000590567455 398631688 /nfs/dbraw/zinc/63/16/88/398631688.db2.gz GGLVOPMSSWMDPQ-UHFFFAOYSA-N 1 2 323.150 2.643 20 5 DFBDLO C[C@H]1CSCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000172593297 198119737 /nfs/dbraw/zinc/11/97/37/198119737.db2.gz KWXVOWCLRJPVQY-JTQLQIEISA-N 1 2 320.374 2.582 20 5 DFBDLO C[C@H]1CSCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000172593297 198119738 /nfs/dbraw/zinc/11/97/38/198119738.db2.gz KWXVOWCLRJPVQY-JTQLQIEISA-N 1 2 320.374 2.582 20 5 DFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCSC[C@@H]3C3CC3)nc2c1 ZINC000590758749 398668022 /nfs/dbraw/zinc/66/80/22/398668022.db2.gz PGMRWFMWCVRUFZ-CQSZACIVSA-N 1 2 318.402 2.799 20 5 DFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCSC[C@@H]3C3CC3)nc2c1 ZINC000590758749 398668026 /nfs/dbraw/zinc/66/80/26/398668026.db2.gz PGMRWFMWCVRUFZ-CQSZACIVSA-N 1 2 318.402 2.799 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000597667383 398677626 /nfs/dbraw/zinc/67/76/26/398677626.db2.gz ROUIIQRWVKKMGU-LBPRGKRZSA-N 1 2 314.345 2.609 20 5 DFBDLO CCOc1cc(C[NH2+][C@@H](C)c2ccn(C)n2)ccc1[N+](=O)[O-] ZINC000459784911 299192325 /nfs/dbraw/zinc/19/23/25/299192325.db2.gz JTGBDOZOMPCVGA-NSHDSACASA-N 1 2 304.350 2.578 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000173479021 198218924 /nfs/dbraw/zinc/21/89/24/198218924.db2.gz UQARLSPSUOCXIZ-RYUDHWBXSA-N 1 2 323.418 2.668 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000173479021 198218926 /nfs/dbraw/zinc/21/89/26/198218926.db2.gz UQARLSPSUOCXIZ-RYUDHWBXSA-N 1 2 323.418 2.668 20 5 DFBDLO COCc1noc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000182079506 199383824 /nfs/dbraw/zinc/38/38/24/199383824.db2.gz LOFOLHJNTCGNIO-UHFFFAOYSA-N 1 2 320.349 2.535 20 5 DFBDLO COCc1noc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000182079506 199383825 /nfs/dbraw/zinc/38/38/25/199383825.db2.gz LOFOLHJNTCGNIO-UHFFFAOYSA-N 1 2 320.349 2.535 20 5 DFBDLO Cc1[nH+]c2n(c1C)CCN(c1nccc3ccc([N+](=O)[O-])cc31)C2 ZINC000591144442 398731799 /nfs/dbraw/zinc/73/17/99/398731799.db2.gz KNNFCYRSPPCVFD-UHFFFAOYSA-N 1 2 323.356 2.977 20 5 DFBDLO CCC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OCC)CCO1 ZINC000131387989 283083092 /nfs/dbraw/zinc/08/30/92/283083092.db2.gz FTGGQAAOSMQLLD-HNNXBMFYSA-N 1 2 308.378 2.994 20 5 DFBDLO CCC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OCC)CCO1 ZINC000131387989 283083093 /nfs/dbraw/zinc/08/30/93/283083093.db2.gz FTGGQAAOSMQLLD-HNNXBMFYSA-N 1 2 308.378 2.994 20 5 DFBDLO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000081569297 192293870 /nfs/dbraw/zinc/29/38/70/192293870.db2.gz ISSUAINGGANIEE-GFCCVEGCSA-N 1 2 324.377 2.636 20 5 DFBDLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000081569297 192293873 /nfs/dbraw/zinc/29/38/73/192293873.db2.gz ISSUAINGGANIEE-GFCCVEGCSA-N 1 2 324.377 2.636 20 5 DFBDLO O=[N+]([O-])c1cccc(N2CCN(c3[nH]c4ccccc4[nH+]3)CC2)c1 ZINC000134886087 283202073 /nfs/dbraw/zinc/20/20/73/283202073.db2.gz XUHRPRLLCIUOJH-UHFFFAOYSA-N 1 2 323.356 2.798 20 5 DFBDLO CC(C)[C@H](C)NC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135225225 283211406 /nfs/dbraw/zinc/21/14/06/283211406.db2.gz TYZHEVCDOHXYPP-ZDUSSCGKSA-N 1 2 319.405 2.720 20 5 DFBDLO CC(C)[C@H](C)NC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135225225 283211408 /nfs/dbraw/zinc/21/14/08/283211408.db2.gz TYZHEVCDOHXYPP-ZDUSSCGKSA-N 1 2 319.405 2.720 20 5 DFBDLO C[C@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000154015956 290594920 /nfs/dbraw/zinc/59/49/20/290594920.db2.gz LHYQOQXYTFIPIA-GWCFXTLKSA-N 1 2 321.768 2.927 20 5 DFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000075597058 398812253 /nfs/dbraw/zinc/81/22/53/398812253.db2.gz VISCTYKCJMYOSW-ZDUSSCGKSA-N 1 2 319.405 2.846 20 5 DFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2nccs2)CC1 ZINC000075614226 398813472 /nfs/dbraw/zinc/81/34/72/398813472.db2.gz QVHWWNJGKIZTLC-LBPRGKRZSA-N 1 2 318.402 2.935 20 5 DFBDLO CSc1ccc(C(=O)N[C@@H](C)c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000598459627 398816484 /nfs/dbraw/zinc/81/64/84/398816484.db2.gz JPDOJOAMEFCFAV-VIFPVBQESA-N 1 2 320.374 2.541 20 5 DFBDLO C[C@@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@H]1CO ZINC000598636978 398844600 /nfs/dbraw/zinc/84/46/00/398844600.db2.gz JOQYYHLEJYEWMD-YPMHNXCESA-N 1 2 301.346 2.598 20 5 DFBDLO C[C@@H]([NH2+][C@@H](C)c1cscn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000594714439 398847299 /nfs/dbraw/zinc/84/72/99/398847299.db2.gz ZZDUTGOWQOJMQM-VHSXEESVSA-N 1 2 320.374 2.729 20 5 DFBDLO CCCC[C@H](C(=O)OC)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153073505 283351546 /nfs/dbraw/zinc/35/15/46/283351546.db2.gz OHITXVHWUZTSEP-OAHLLOKOSA-N 1 2 306.362 2.685 20 5 DFBDLO CCCC[C@H](C(=O)OC)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153073505 283351550 /nfs/dbraw/zinc/35/15/50/283351550.db2.gz OHITXVHWUZTSEP-OAHLLOKOSA-N 1 2 306.362 2.685 20 5 DFBDLO COC(=O)c1coc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153073126 283351554 /nfs/dbraw/zinc/35/15/54/283351554.db2.gz MRUSCHVMBTYLSI-UHFFFAOYSA-N 1 2 316.313 2.533 20 5 DFBDLO COC(=O)c1coc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153073126 283351558 /nfs/dbraw/zinc/35/15/58/283351558.db2.gz MRUSCHVMBTYLSI-UHFFFAOYSA-N 1 2 316.313 2.533 20 5 DFBDLO Cn1c(CCNc2ccncc2[N+](=O)[O-])[nH+]c2ccc(F)cc21 ZINC000077209610 398887571 /nfs/dbraw/zinc/88/75/71/398887571.db2.gz MQIIFIATNUYCPL-UHFFFAOYSA-N 1 2 315.308 2.670 20 5 DFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1Cc2ccccc2C1 ZINC000155547908 283376159 /nfs/dbraw/zinc/37/61/59/283376159.db2.gz NKMWXKZZPFTTGH-GFCCVEGCSA-N 1 2 311.341 2.938 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1nnc(C(C)C)[nH]1 ZINC000595042533 398896279 /nfs/dbraw/zinc/89/62/79/398896279.db2.gz SKRJHWJKALYFSU-SNVBAGLBSA-N 1 2 319.365 2.696 20 5 DFBDLO O=[N+]([O-])c1c(N[C@@H]2CCc3c[nH]nc3C2)ccc2c[nH+]ccc21 ZINC000599054582 398913733 /nfs/dbraw/zinc/91/37/33/398913733.db2.gz CCURJGYFGRUUHF-GFCCVEGCSA-N 1 2 309.329 2.836 20 5 DFBDLO Cc1noc(C[N@H+](C)C[C@H]2OCCc3ccccc32)c1[N+](=O)[O-] ZINC000595300721 398919765 /nfs/dbraw/zinc/91/97/65/398919765.db2.gz GBJBGGZVBWAHSL-CQSZACIVSA-N 1 2 317.345 2.637 20 5 DFBDLO Cc1noc(C[N@@H+](C)C[C@H]2OCCc3ccccc32)c1[N+](=O)[O-] ZINC000595300721 398919766 /nfs/dbraw/zinc/91/97/66/398919766.db2.gz GBJBGGZVBWAHSL-CQSZACIVSA-N 1 2 317.345 2.637 20 5 DFBDLO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000595391185 398931255 /nfs/dbraw/zinc/93/12/55/398931255.db2.gz GAVGMWNUHQHZGS-UHFFFAOYSA-N 1 2 322.258 2.623 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC(F)(F)CO)CCCC2 ZINC000417325696 296010062 /nfs/dbraw/zinc/01/00/62/296010062.db2.gz DQAIGGHCXWBOSX-ZDUSSCGKSA-N 1 2 300.305 2.580 20 5 DFBDLO Cc1noc(C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)c1[N+](=O)[O-] ZINC000595420085 398934997 /nfs/dbraw/zinc/93/49/97/398934997.db2.gz MXBXVYTVORQRKU-CYBMUJFWSA-N 1 2 307.354 2.502 20 5 DFBDLO Cc1noc(C[N@H+](Cc2ccccc2)CC(C)(C)O)c1[N+](=O)[O-] ZINC000595422004 398935450 /nfs/dbraw/zinc/93/54/50/398935450.db2.gz DKIWOSCIAALNMS-UHFFFAOYSA-N 1 2 319.361 2.664 20 5 DFBDLO Cc1noc(C[N@@H+](Cc2ccccc2)CC(C)(C)O)c1[N+](=O)[O-] ZINC000595422004 398935452 /nfs/dbraw/zinc/93/54/52/398935452.db2.gz DKIWOSCIAALNMS-UHFFFAOYSA-N 1 2 319.361 2.664 20 5 DFBDLO COCC[N@H+](Cc1ccccn1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595498444 398950334 /nfs/dbraw/zinc/95/03/34/398950334.db2.gz SWTQWCSCOIDFKS-UHFFFAOYSA-N 1 2 319.336 2.778 20 5 DFBDLO COCC[N@@H+](Cc1ccccn1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595498444 398950336 /nfs/dbraw/zinc/95/03/36/398950336.db2.gz SWTQWCSCOIDFKS-UHFFFAOYSA-N 1 2 319.336 2.778 20 5 DFBDLO Cc1c[nH]c(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000600122297 398958849 /nfs/dbraw/zinc/95/88/49/398958849.db2.gz CBHDENCCSJSBMT-UHFFFAOYSA-N 1 2 316.361 2.670 20 5 DFBDLO Cc1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n(C)n1 ZINC000417728333 296044765 /nfs/dbraw/zinc/04/47/65/296044765.db2.gz OXBDQIKCLCKXRL-UHFFFAOYSA-N 1 2 300.362 2.801 20 5 DFBDLO Cc1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n(C)n1 ZINC000417728333 296044766 /nfs/dbraw/zinc/04/47/66/296044766.db2.gz OXBDQIKCLCKXRL-UHFFFAOYSA-N 1 2 300.362 2.801 20 5 DFBDLO CC1(C)C[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC(C)(C)O1 ZINC000194832091 201296916 /nfs/dbraw/zinc/29/69/16/201296916.db2.gz JCQYDQJTUFAWLS-UHFFFAOYSA-N 1 2 323.349 2.892 20 5 DFBDLO CCN(CC)c1ccc(CNc2ncc([N+](=O)[O-])s2)c[nH+]1 ZINC000195509161 201397100 /nfs/dbraw/zinc/39/71/00/201397100.db2.gz JUJWQMVGIUYJPS-UHFFFAOYSA-N 1 2 307.379 2.905 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595626564 399009359 /nfs/dbraw/zinc/00/93/59/399009359.db2.gz SHAQQMRRLQQMJO-INIZCTEOSA-N 1 2 306.362 2.604 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595626564 399009362 /nfs/dbraw/zinc/00/93/62/399009362.db2.gz SHAQQMRRLQQMJO-INIZCTEOSA-N 1 2 306.362 2.604 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1cscn1 ZINC000595669565 399027789 /nfs/dbraw/zinc/02/77/89/399027789.db2.gz WTJDDYDGBMKCHJ-JTQLQIEISA-N 1 2 320.374 2.649 20 5 DFBDLO CCOC[C@H]1C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000599620955 399030427 /nfs/dbraw/zinc/03/04/27/399030427.db2.gz XBPRGFKWTIZSLX-DZGCQCFKSA-N 1 2 308.378 2.702 20 5 DFBDLO CCOC[C@H]1C[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000599620955 399030431 /nfs/dbraw/zinc/03/04/31/399030431.db2.gz XBPRGFKWTIZSLX-DZGCQCFKSA-N 1 2 308.378 2.702 20 5 DFBDLO CC[C@@H](C)[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000057304065 399032042 /nfs/dbraw/zinc/03/20/42/399032042.db2.gz KMEKPGGHJGQTGO-NEPJUHHUSA-N 1 2 316.361 2.945 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC2(CCC2)OC[C@H]1C ZINC000595680485 399032946 /nfs/dbraw/zinc/03/29/46/399032946.db2.gz HTLWFRNIXYIOEI-GFCCVEGCSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC2(CCC2)OC[C@H]1C ZINC000595680485 399032948 /nfs/dbraw/zinc/03/29/48/399032948.db2.gz HTLWFRNIXYIOEI-GFCCVEGCSA-N 1 2 306.362 2.747 20 5 DFBDLO C[C@@H]1[C@@H](C(F)(F)F)OCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000595784924 399083930 /nfs/dbraw/zinc/08/39/30/399083930.db2.gz KLJYWKGIGPKRLT-MFKMUULPSA-N 1 2 318.295 2.789 20 5 DFBDLO C[C@@H]1[C@@H](C(F)(F)F)OCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000595784924 399083936 /nfs/dbraw/zinc/08/39/36/399083936.db2.gz KLJYWKGIGPKRLT-MFKMUULPSA-N 1 2 318.295 2.789 20 5 DFBDLO Cc1cc(N2CC[NH+](Cc3ccco3)CC2)c([N+](=O)[O-])s1 ZINC000596061795 399158907 /nfs/dbraw/zinc/15/89/07/399158907.db2.gz DYYMGGUAMQUFKD-UHFFFAOYSA-N 1 2 307.375 2.880 20 5 DFBDLO Cc1nc2[nH]ccc2c(NCCOc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000080981595 399199950 /nfs/dbraw/zinc/19/99/50/399199950.db2.gz ZDLBRCHDYVJLOM-UHFFFAOYSA-N 1 2 313.317 2.665 20 5 DFBDLO CCN(CC)c1ccc(CNc2ncc(F)cc2[N+](=O)[O-])c[nH+]1 ZINC000601104606 399228100 /nfs/dbraw/zinc/22/81/00/399228100.db2.gz BDQYGIKBHCEQGJ-UHFFFAOYSA-N 1 2 319.340 2.982 20 5 DFBDLO C[C@](CO)([NH2+]Cc1ccc(Cl)o1)c1cccc([N+](=O)[O-])c1 ZINC000601148416 399240803 /nfs/dbraw/zinc/24/08/03/399240803.db2.gz BMCALHGYAANFIU-CQSZACIVSA-N 1 2 310.737 2.839 20 5 DFBDLO C[C@@](CO)([NH2+]Cc1ccncc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000601148784 399241115 /nfs/dbraw/zinc/24/11/15/399241115.db2.gz GNFIVOVIRICUPI-HNNXBMFYSA-N 1 2 321.764 2.641 20 5 DFBDLO Cn1cc(Cl)c(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000420959020 296217664 /nfs/dbraw/zinc/21/76/64/296217664.db2.gz FMRROQHCSUJDNY-UHFFFAOYSA-N 1 2 308.769 2.656 20 5 DFBDLO Cn1cc(Cl)c(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000420959020 296217667 /nfs/dbraw/zinc/21/76/67/296217667.db2.gz FMRROQHCSUJDNY-UHFFFAOYSA-N 1 2 308.769 2.656 20 5 DFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@@]23CCOC3)c1 ZINC000421391340 296251830 /nfs/dbraw/zinc/25/18/30/296251830.db2.gz AJEZAZDELHORRX-AWEZNQCLSA-N 1 2 314.288 2.561 20 5 DFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@@]23CCOC3)c1 ZINC000421391340 296251832 /nfs/dbraw/zinc/25/18/32/296251832.db2.gz AJEZAZDELHORRX-AWEZNQCLSA-N 1 2 314.288 2.561 20 5 DFBDLO CC(C)n1cc(C(C)(C)[NH2+]Cc2cccc([N+](=O)[O-])c2)nn1 ZINC000421396490 296252548 /nfs/dbraw/zinc/25/25/48/296252548.db2.gz BVVYDWPGNAZFDC-UHFFFAOYSA-N 1 2 303.366 2.792 20 5 DFBDLO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](C)[C@@H](C)O1 ZINC000615000380 399290156 /nfs/dbraw/zinc/29/01/56/399290156.db2.gz MEXDJYIDWDGXDR-GMTAPVOTSA-N 1 2 305.334 2.734 20 5 DFBDLO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](C)[C@@H](C)O1 ZINC000615000380 399290158 /nfs/dbraw/zinc/29/01/58/399290158.db2.gz MEXDJYIDWDGXDR-GMTAPVOTSA-N 1 2 305.334 2.734 20 5 DFBDLO Cc1sc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000609131424 399304866 /nfs/dbraw/zinc/30/48/66/399304866.db2.gz PNHWRPBALOHTDE-LLVKDONJSA-N 1 2 320.374 2.639 20 5 DFBDLO C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCCn1cc[nH+]c1 ZINC000609140767 399306051 /nfs/dbraw/zinc/30/60/51/399306051.db2.gz XCEVMPAPUFZLDH-GFCCVEGCSA-N 1 2 314.345 2.549 20 5 DFBDLO COCC[N@H+](Cc1ccco1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051739081 425883414 /nfs/dbraw/zinc/88/34/14/425883414.db2.gz VJSYCDVVJQQNGP-UHFFFAOYSA-N 1 2 320.345 2.845 20 5 DFBDLO COCC[N@@H+](Cc1ccco1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051739081 425883415 /nfs/dbraw/zinc/88/34/15/425883415.db2.gz VJSYCDVVJQQNGP-UHFFFAOYSA-N 1 2 320.345 2.845 20 5 DFBDLO COc1ccc(C(=O)Nc2ccc3[nH+]ccn3c2)cc1[N+](=O)[O-] ZINC000609618995 399326531 /nfs/dbraw/zinc/32/65/31/399326531.db2.gz XJWBMZIXSLMKSC-UHFFFAOYSA-N 1 2 312.285 2.503 20 5 DFBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(Nc3cccnn3)CC2)cs1 ZINC000105805731 194133978 /nfs/dbraw/zinc/13/39/78/194133978.db2.gz VDIAZELMUDSNCV-UHFFFAOYSA-N 1 2 319.390 2.523 20 5 DFBDLO CCOc1cccc(N[C@H](C)[C@H](C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000273808262 211077397 /nfs/dbraw/zinc/07/73/97/211077397.db2.gz AIIAROGENGMATQ-OLZOCXBDSA-N 1 2 323.393 2.515 20 5 DFBDLO O=C(C[N@@H+]1C[C@H]2CCC[C@@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610585195 399383311 /nfs/dbraw/zinc/38/33/11/399383311.db2.gz FKSTWTBHFOXQHA-SKDRFNHKSA-N 1 2 309.753 2.671 20 5 DFBDLO O=C(C[N@H+]1C[C@H]2CCC[C@@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610585195 399383314 /nfs/dbraw/zinc/38/33/14/399383314.db2.gz FKSTWTBHFOXQHA-SKDRFNHKSA-N 1 2 309.753 2.671 20 5 DFBDLO CCc1c[nH+]ccc1NC(=O)C=Cc1ccc(F)cc1[N+](=O)[O-] ZINC000492108593 299513671 /nfs/dbraw/zinc/51/36/71/299513671.db2.gz KNPDCLXVMULRII-XQRVVYSFSA-N 1 2 315.304 2.765 20 5 DFBDLO O=[N+]([O-])c1ncccc1NCCc1[nH]c2ccc(F)cc2[nH+]1 ZINC000610661768 399389880 /nfs/dbraw/zinc/38/98/80/399389880.db2.gz FUDUDLNAMXFJDA-UHFFFAOYSA-N 1 2 301.281 2.660 20 5 DFBDLO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc2[nH+]ccn2c1 ZINC000610667364 399390619 /nfs/dbraw/zinc/39/06/19/399390619.db2.gz XNOMXAVQJAHMAZ-UHFFFAOYSA-N 1 2 310.313 2.814 20 5 DFBDLO Cc1cc(C(=O)NCc2cn3cc(C)ccc3[nH+]2)cc([N+](=O)[O-])c1 ZINC000346535221 284885778 /nfs/dbraw/zinc/88/57/78/284885778.db2.gz MLLMDPKQJXHVDW-UHFFFAOYSA-N 1 2 324.340 2.789 20 5 DFBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000058577618 184123571 /nfs/dbraw/zinc/12/35/71/184123571.db2.gz XCUGUVZKKVMYPY-UHFFFAOYSA-N 1 2 317.311 2.665 20 5 DFBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000058577618 184123573 /nfs/dbraw/zinc/12/35/73/184123573.db2.gz XCUGUVZKKVMYPY-UHFFFAOYSA-N 1 2 317.311 2.665 20 5 DFBDLO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000060450962 184149484 /nfs/dbraw/zinc/14/94/84/184149484.db2.gz MVAHHXMASABACW-GFCCVEGCSA-N 1 2 323.393 2.541 20 5 DFBDLO Cc1cc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)sn1 ZINC000602434973 399442976 /nfs/dbraw/zinc/44/29/76/399442976.db2.gz ROKSPSZETYRKIM-UHFFFAOYSA-N 1 2 318.402 2.682 20 5 DFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C(F)F)C1 ZINC000611179511 399442206 /nfs/dbraw/zinc/44/22/06/399442206.db2.gz DIYFKKGZTFAZHH-UWVGGRQHSA-N 1 2 313.304 2.509 20 5 DFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C(F)F)C1 ZINC000611179511 399442208 /nfs/dbraw/zinc/44/22/08/399442208.db2.gz DIYFKKGZTFAZHH-UWVGGRQHSA-N 1 2 313.304 2.509 20 5 DFBDLO C[C@H]1c2ccc(F)cc2CC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602470362 399453465 /nfs/dbraw/zinc/45/34/65/399453465.db2.gz CQHBDBHQZDKZFU-JTQLQIEISA-N 1 2 304.325 2.587 20 5 DFBDLO C[C@H]1c2ccc(F)cc2CC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602470362 399453467 /nfs/dbraw/zinc/45/34/67/399453467.db2.gz CQHBDBHQZDKZFU-JTQLQIEISA-N 1 2 304.325 2.587 20 5 DFBDLO C[N@H+](Cc1cn[nH]c1)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602472247 399454373 /nfs/dbraw/zinc/45/43/73/399454373.db2.gz QFRGZIGUWRTOCS-UHFFFAOYSA-N 1 2 314.267 2.969 20 5 DFBDLO C[N@@H+](Cc1cn[nH]c1)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602472247 399454376 /nfs/dbraw/zinc/45/43/76/399454376.db2.gz QFRGZIGUWRTOCS-UHFFFAOYSA-N 1 2 314.267 2.969 20 5 DFBDLO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2cn(C)nc2[N+](=O)[O-])s1 ZINC000602475675 399455360 /nfs/dbraw/zinc/45/53/60/399455360.db2.gz QLLLZCLUOUMCGW-SECBINFHSA-N 1 2 309.395 2.595 20 5 DFBDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cn(C)nc2[N+](=O)[O-])s1 ZINC000602475675 399455363 /nfs/dbraw/zinc/45/53/63/399455363.db2.gz QLLLZCLUOUMCGW-SECBINFHSA-N 1 2 309.395 2.595 20 5 DFBDLO Cn1cc(C[N@@H+]2Cc3ccccc3C(C)(C)C2)c([N+](=O)[O-])n1 ZINC000602474734 399455503 /nfs/dbraw/zinc/45/55/03/399455503.db2.gz ZUAVMUTWQCGPAA-UHFFFAOYSA-N 1 2 300.362 2.622 20 5 DFBDLO Cn1cc(C[N@H+]2Cc3ccccc3C(C)(C)C2)c([N+](=O)[O-])n1 ZINC000602474734 399455506 /nfs/dbraw/zinc/45/55/06/399455506.db2.gz ZUAVMUTWQCGPAA-UHFFFAOYSA-N 1 2 300.362 2.622 20 5 DFBDLO CCC[C@H]([NH2+]Cc1nnnn1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000611336506 399463003 /nfs/dbraw/zinc/46/30/03/399463003.db2.gz MDZLRSMSXGMTAN-AWEZNQCLSA-N 1 2 316.365 2.547 20 5 DFBDLO COc1ccccc1[C@H](CO)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000611683182 399504625 /nfs/dbraw/zinc/50/46/25/399504625.db2.gz NCHKABYIPJMCSM-AWEZNQCLSA-N 1 2 320.320 2.566 20 5 DFBDLO C[C@H]1C[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)c2[nH+]ccn21 ZINC000602684435 399519404 /nfs/dbraw/zinc/51/94/04/399519404.db2.gz YEJHTSIPUKIKHW-CABZTGNLSA-N 1 2 313.317 2.728 20 5 DFBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH+]1CCC(O)CC1 ZINC000290063847 285076094 /nfs/dbraw/zinc/07/60/94/285076094.db2.gz SVPKBEGNJOBLIT-UHFFFAOYSA-N 1 2 305.161 2.858 20 5 DFBDLO CN(Cc1c[nH+]c[nH]1)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602706544 399531443 /nfs/dbraw/zinc/53/14/43/399531443.db2.gz QDVWTHXVVMBXCP-UHFFFAOYSA-N 1 2 314.267 2.969 20 5 DFBDLO CN(Cc1c[nH]c[nH+]1)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602706544 399531445 /nfs/dbraw/zinc/53/14/45/399531445.db2.gz QDVWTHXVVMBXCP-UHFFFAOYSA-N 1 2 314.267 2.969 20 5 DFBDLO COc1cc[nH+]cc1CNc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000292847777 533085491 /nfs/dbraw/zinc/08/54/91/533085491.db2.gz VTUHGCSTAMXSEU-UHFFFAOYSA-N 1 2 319.317 2.628 20 5 DFBDLO Cc1c(C[N@@H+]2CCOC[C@H]2CC(F)F)cccc1[N+](=O)[O-] ZINC000286512694 219030103 /nfs/dbraw/zinc/03/01/03/219030103.db2.gz QGUMMQJMCVMOLB-GFCCVEGCSA-N 1 2 300.305 2.759 20 5 DFBDLO Cc1c(C[N@H+]2CCOC[C@H]2CC(F)F)cccc1[N+](=O)[O-] ZINC000286512694 219030105 /nfs/dbraw/zinc/03/01/05/219030105.db2.gz QGUMMQJMCVMOLB-GFCCVEGCSA-N 1 2 300.305 2.759 20 5 DFBDLO CCn1nc(C)c([N+](=O)[O-])c1NCCCc1cccc(C)[nH+]1 ZINC000286530547 219038982 /nfs/dbraw/zinc/03/89/82/219038982.db2.gz HWRCDEYRUVUYJD-UHFFFAOYSA-N 1 2 303.366 2.868 20 5 DFBDLO C[C@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000602779360 399568366 /nfs/dbraw/zinc/56/83/66/399568366.db2.gz DHKGRZVXGPBPKJ-WCQYABFASA-N 1 2 304.350 2.895 20 5 DFBDLO C[C@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000602779360 399568370 /nfs/dbraw/zinc/56/83/70/399568370.db2.gz DHKGRZVXGPBPKJ-WCQYABFASA-N 1 2 304.350 2.895 20 5 DFBDLO O=[N+]([O-])c1cnn(CC[NH+](Cc2ccco2)Cc2ccco2)c1 ZINC000157460596 197189134 /nfs/dbraw/zinc/18/91/34/197189134.db2.gz AHJGPNOQLLOGPF-UHFFFAOYSA-N 1 2 316.317 2.680 20 5 DFBDLO Cn1cc(C[NH2+]C2(c3ccc(F)cc3F)CCC2)c([N+](=O)[O-])n1 ZINC000602807012 399582383 /nfs/dbraw/zinc/58/23/83/399582383.db2.gz RJSDGSQJUCEZAM-UHFFFAOYSA-N 1 2 322.315 2.776 20 5 DFBDLO Cc1c(NC(=O)N(C)CCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000120643591 195206770 /nfs/dbraw/zinc/20/67/70/195206770.db2.gz HSAMKDNNVQIFEW-UHFFFAOYSA-N 1 2 317.349 2.654 20 5 DFBDLO Cc1ccc(C(=O)Nc2cc(N(C)C)cc[nH+]2)cc1[N+](=O)[O-] ZINC000612347133 399629812 /nfs/dbraw/zinc/62/98/12/399629812.db2.gz UFXASDVZCGHBNE-UHFFFAOYSA-N 1 2 300.318 2.617 20 5 DFBDLO COCc1nc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000289938247 221327936 /nfs/dbraw/zinc/32/79/36/221327936.db2.gz WQNUPWBEGYCRLS-UHFFFAOYSA-N 1 2 307.375 2.796 20 5 DFBDLO CC[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H](C)[S@@]1=O ZINC000289966218 221348020 /nfs/dbraw/zinc/34/80/20/221348020.db2.gz ZGMOLQRICSNZFR-NDWMJECOSA-N 1 2 322.430 2.839 20 5 DFBDLO CC[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H](C)[S@@]1=O ZINC000289966218 221348023 /nfs/dbraw/zinc/34/80/23/221348023.db2.gz ZGMOLQRICSNZFR-NDWMJECOSA-N 1 2 322.430 2.839 20 5 DFBDLO Cn1nc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)c2ccccc21 ZINC000612692129 399706229 /nfs/dbraw/zinc/70/62/29/399706229.db2.gz ZORAFBMOBJDYRY-UHFFFAOYSA-N 1 2 314.320 2.910 20 5 DFBDLO COc1nccnc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000295851805 533284525 /nfs/dbraw/zinc/28/45/25/533284525.db2.gz WLASRPWNORQPNX-NSHDSACASA-N 1 2 302.334 2.553 20 5 DFBDLO C[C@@H](Nc1ncnc2c1C[N@H+](C)CC2)c1cccc([N+](=O)[O-])c1 ZINC000299653344 533567719 /nfs/dbraw/zinc/56/77/19/533567719.db2.gz YTMAYEYAXWDWQJ-LLVKDONJSA-N 1 2 313.361 2.546 20 5 DFBDLO C[C@@H](Nc1ncnc2c1C[N@@H+](C)CC2)c1cccc([N+](=O)[O-])c1 ZINC000299653344 533567722 /nfs/dbraw/zinc/56/77/22/533567722.db2.gz YTMAYEYAXWDWQJ-LLVKDONJSA-N 1 2 313.361 2.546 20 5 DFBDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000492904359 299675835 /nfs/dbraw/zinc/67/58/35/299675835.db2.gz XKHIDXGTRBNQGK-SREVYHEPSA-N 1 2 318.308 2.911 20 5 DFBDLO CC(C)OCC[C@@H](O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000349247449 285816031 /nfs/dbraw/zinc/81/60/31/285816031.db2.gz ZTMVHQQNJZDREY-OAHLLOKOSA-N 1 2 319.361 2.634 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cn3c(cccc3C)[nH+]2)c1 ZINC000173643593 145350085 /nfs/dbraw/zinc/35/00/85/145350085.db2.gz SQKSGKBNJIENCH-UHFFFAOYSA-N 1 2 324.340 2.789 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000354519707 147065822 /nfs/dbraw/zinc/06/58/22/147065822.db2.gz HDRMCGBJIKLLFJ-UHFFFAOYSA-N 1 2 302.334 2.515 20 5 DFBDLO CCn1ncnc1C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000355587370 147373753 /nfs/dbraw/zinc/37/37/53/147373753.db2.gz VWEALVVGFXGSAR-UHFFFAOYSA-N 1 2 303.366 2.619 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000357113605 147867561 /nfs/dbraw/zinc/86/75/61/147867561.db2.gz CGJGYPBAVFVMBR-UHFFFAOYSA-N 1 2 323.312 2.736 20 5 DFBDLO CC[C@H](CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)OC ZINC000357776317 148117436 /nfs/dbraw/zinc/11/74/36/148117436.db2.gz UHXKGICJCZYPLU-CQSZACIVSA-N 1 2 316.361 2.619 20 5 DFBDLO C[C@@H](c1c(F)cccc1F)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000350731869 286079273 /nfs/dbraw/zinc/07/92/73/286079273.db2.gz GYZPEXYGRBMEKU-JTQLQIEISA-N 1 2 310.304 2.763 20 5 DFBDLO C[C@@H](c1c(F)cccc1F)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000350731869 286079274 /nfs/dbraw/zinc/07/92/74/286079274.db2.gz GYZPEXYGRBMEKU-JTQLQIEISA-N 1 2 310.304 2.763 20 5 DFBDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000361138739 149037420 /nfs/dbraw/zinc/03/74/20/149037420.db2.gz CWFQSFBQFPGKJZ-JAGRNKBHSA-N 1 2 318.373 2.882 20 5 DFBDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000361138739 149037422 /nfs/dbraw/zinc/03/74/22/149037422.db2.gz CWFQSFBQFPGKJZ-JAGRNKBHSA-N 1 2 318.373 2.882 20 5 DFBDLO CCCC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000350865102 286095860 /nfs/dbraw/zinc/09/58/60/286095860.db2.gz AILILZWZPCQOBN-LBPRGKRZSA-N 1 2 323.368 2.615 20 5 DFBDLO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000350865102 286095861 /nfs/dbraw/zinc/09/58/61/286095861.db2.gz AILILZWZPCQOBN-LBPRGKRZSA-N 1 2 323.368 2.615 20 5 DFBDLO Cc1c[nH]c(-c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cn2)[nH+]1 ZINC000371247734 150010024 /nfs/dbraw/zinc/01/00/24/150010024.db2.gz PYQWSPMYWXQKSU-UHFFFAOYSA-N 1 2 323.312 2.941 20 5 DFBDLO Cc1cnc([C@H]2CCCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)s1 ZINC000371343369 150026676 /nfs/dbraw/zinc/02/66/76/150026676.db2.gz GKXRPZOHEMZPQZ-GFCCVEGCSA-N 1 2 321.406 2.783 20 5 DFBDLO Cc1cnc([C@H]2CCCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)s1 ZINC000371343369 150026679 /nfs/dbraw/zinc/02/66/79/150026679.db2.gz GKXRPZOHEMZPQZ-GFCCVEGCSA-N 1 2 321.406 2.783 20 5 DFBDLO Cc1sc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000371441719 150048175 /nfs/dbraw/zinc/04/81/75/150048175.db2.gz CNWFZGFRYSVRHJ-VIFPVBQESA-N 1 2 306.347 2.665 20 5 DFBDLO O=C(c1cc([N+](=O)[O-])cc(F)c1F)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000371524661 150060576 /nfs/dbraw/zinc/06/05/76/150060576.db2.gz IZLCAKXEGRIARE-LLVKDONJSA-N 1 2 322.271 2.573 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000371539295 150063372 /nfs/dbraw/zinc/06/33/72/150063372.db2.gz OOAHAYQPIWRUQC-ZDUSSCGKSA-N 1 2 302.334 2.664 20 5 DFBDLO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000371559204 150065846 /nfs/dbraw/zinc/06/58/46/150065846.db2.gz GBDPDKAVVPDHFK-LBPRGKRZSA-N 1 2 320.736 2.949 20 5 DFBDLO C[C@@H]1C[C@@H](NC(=O)/C=C\c2ccccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000493198355 299733953 /nfs/dbraw/zinc/73/39/53/299733953.db2.gz ZPNVPJHGKOGFRA-GGCNOCFKSA-N 1 2 312.329 2.627 20 5 DFBDLO COC(=O)[C@H](CC(C)C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000351876429 286235589 /nfs/dbraw/zinc/23/55/89/286235589.db2.gz ODLPVBCGIKVHNU-HNNXBMFYSA-N 1 2 306.362 2.541 20 5 DFBDLO COC(=O)[C@H](CC(C)C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000351876429 286235590 /nfs/dbraw/zinc/23/55/90/286235590.db2.gz ODLPVBCGIKVHNU-HNNXBMFYSA-N 1 2 306.362 2.541 20 5 DFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000493544151 299794919 /nfs/dbraw/zinc/79/49/19/299794919.db2.gz BTKULNFEGWMUCH-JLVNDZCYSA-N 1 2 314.345 2.702 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1nnc(C)s1 ZINC000430224265 296778655 /nfs/dbraw/zinc/77/86/55/296778655.db2.gz JFTTYGYXHQRTHA-MRVPVSSYSA-N 1 2 308.363 2.614 20 5 DFBDLO Cc1cc(N(C)Cc2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2n1 ZINC000301987767 230020050 /nfs/dbraw/zinc/02/00/50/230020050.db2.gz DNXRUVFJPFDZGX-UHFFFAOYSA-N 1 2 311.345 2.821 20 5 DFBDLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000007975063 425656083 /nfs/dbraw/zinc/65/60/83/425656083.db2.gz XGBGSGSMMXUZBZ-LBPRGKRZSA-N 1 2 317.345 2.955 20 5 DFBDLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000007975063 425656088 /nfs/dbraw/zinc/65/60/88/425656088.db2.gz XGBGSGSMMXUZBZ-LBPRGKRZSA-N 1 2 317.345 2.955 20 5 DFBDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599142 425865707 /nfs/dbraw/zinc/86/57/07/425865707.db2.gz NKKLXILTPSNZGN-OKILXGFUSA-N 1 2 319.405 2.816 20 5 DFBDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599142 425865708 /nfs/dbraw/zinc/86/57/08/425865708.db2.gz NKKLXILTPSNZGN-OKILXGFUSA-N 1 2 319.405 2.816 20 5 DFBDLO CCC(CC)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599423 425865747 /nfs/dbraw/zinc/86/57/47/425865747.db2.gz HMBCSMJGMPJIOP-GFCCVEGCSA-N 1 2 307.394 2.720 20 5 DFBDLO CCC(CC)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599423 425865748 /nfs/dbraw/zinc/86/57/48/425865748.db2.gz HMBCSMJGMPJIOP-GFCCVEGCSA-N 1 2 307.394 2.720 20 5 DFBDLO CCC(C)(C)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599616 425865800 /nfs/dbraw/zinc/86/58/00/425865800.db2.gz QGEQOKHMPNBXBP-LBPRGKRZSA-N 1 2 307.394 2.720 20 5 DFBDLO CCC(C)(C)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599616 425865801 /nfs/dbraw/zinc/86/58/01/425865801.db2.gz QGEQOKHMPNBXBP-LBPRGKRZSA-N 1 2 307.394 2.720 20 5 DFBDLO COC(=O)C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000037403794 425847891 /nfs/dbraw/zinc/84/78/91/425847891.db2.gz WAYUEEQAFAJUEL-UHFFFAOYSA-N 1 2 312.753 2.633 20 5 DFBDLO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000037562827 425848538 /nfs/dbraw/zinc/84/85/38/425848538.db2.gz LCNQZKPQJVOLEO-VIFPVBQESA-N 1 2 303.347 2.550 20 5 DFBDLO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@H]1COc2ccccc2O1 ZINC000047265350 425868757 /nfs/dbraw/zinc/86/87/57/425868757.db2.gz MXEULNLGWKBWPK-LBPRGKRZSA-N 1 2 320.370 2.928 20 5 DFBDLO C[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@H]1COc2ccccc2O1 ZINC000047265350 425868758 /nfs/dbraw/zinc/86/87/58/425868758.db2.gz MXEULNLGWKBWPK-LBPRGKRZSA-N 1 2 320.370 2.928 20 5 DFBDLO COc1ccc(C[N@@H+]2CCOCC23CCCC3)cc1[N+](=O)[O-] ZINC000270628732 268193656 /nfs/dbraw/zinc/19/36/56/268193656.db2.gz LFWWXHMTYGVKLW-UHFFFAOYSA-N 1 2 306.362 2.748 20 5 DFBDLO COc1ccc(C[N@H+]2CCOCC23CCCC3)cc1[N+](=O)[O-] ZINC000270628732 268193659 /nfs/dbraw/zinc/19/36/59/268193659.db2.gz LFWWXHMTYGVKLW-UHFFFAOYSA-N 1 2 306.362 2.748 20 5 DFBDLO CCCn1cc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000124773307 425938049 /nfs/dbraw/zinc/93/80/49/425938049.db2.gz PPZOHFDGUDUQAB-UHFFFAOYSA-N 1 2 300.362 2.760 20 5 DFBDLO CCCn1cc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000124773307 425938051 /nfs/dbraw/zinc/93/80/51/425938051.db2.gz PPZOHFDGUDUQAB-UHFFFAOYSA-N 1 2 300.362 2.760 20 5 DFBDLO Cc1c[nH+]ccc1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000107289350 425987696 /nfs/dbraw/zinc/98/76/96/425987696.db2.gz FVUMWMIHZLNXNL-UHFFFAOYSA-N 1 2 323.312 2.736 20 5 DFBDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000071952840 426006290 /nfs/dbraw/zinc/00/62/90/426006290.db2.gz LKZRCHVNSAVQKD-HNNXBMFYSA-N 1 2 306.362 2.555 20 5 DFBDLO C[C@H]([NH2+][C@@H](C)c1nccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000106242574 425971186 /nfs/dbraw/zinc/97/11/86/425971186.db2.gz OXZILBCXKNUCLC-UWVGGRQHSA-N 1 2 320.374 2.729 20 5 DFBDLO CCOC(=O)[C@@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000071952840 426006294 /nfs/dbraw/zinc/00/62/94/426006294.db2.gz LKZRCHVNSAVQKD-HNNXBMFYSA-N 1 2 306.362 2.555 20 5 DFBDLO Cc1c([C@@H](C)[NH2+][C@@H]2CCCn3ncnc32)cccc1[N+](=O)[O-] ZINC000164719931 426117468 /nfs/dbraw/zinc/11/74/68/426117468.db2.gz JFIXQLNELCCIEG-DGCLKSJQSA-N 1 2 301.350 2.680 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(NCCc2[nH]c3ccc(F)cc3[nH+]2)n1 ZINC000128618513 426125806 /nfs/dbraw/zinc/12/58/06/426125806.db2.gz GGTQYMYDXIYYRS-UHFFFAOYSA-N 1 2 315.308 2.968 20 5 DFBDLO C[C@H]1C[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)O1 ZINC000089882784 426315549 /nfs/dbraw/zinc/31/55/49/426315549.db2.gz UHRMHVHOTMCSHS-RYUDHWBXSA-N 1 2 317.345 2.859 20 5 DFBDLO CC(C)CCNC(=O)[C@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607485 426278101 /nfs/dbraw/zinc/27/81/01/426278101.db2.gz HYHJHBWDGDRVQI-ZDUSSCGKSA-N 1 2 319.405 2.504 20 5 DFBDLO CC(C)CCNC(=O)[C@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607485 426278102 /nfs/dbraw/zinc/27/81/02/426278102.db2.gz HYHJHBWDGDRVQI-ZDUSSCGKSA-N 1 2 319.405 2.504 20 5 DFBDLO O=[N+]([O-])c1cc(Cl)cnc1NCCc1cn2ccccc2[nH+]1 ZINC000153553995 426392571 /nfs/dbraw/zinc/39/25/71/426392571.db2.gz PWMUZCUYDSZRRL-UHFFFAOYSA-N 1 2 317.736 2.946 20 5 DFBDLO O=[N+]([O-])c1cc(C[NH+]2CCN(c3cccc(O)c3)CC2)cs1 ZINC000123960612 426463596 /nfs/dbraw/zinc/46/35/96/426463596.db2.gz QBLMBISQUANZGT-UHFFFAOYSA-N 1 2 319.386 2.684 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(C(=O)C(C)C)CC1 ZINC000272388896 426513068 /nfs/dbraw/zinc/51/30/68/426513068.db2.gz XEYZJGJKJUYJMM-AWEZNQCLSA-N 1 2 319.405 2.764 20 5 DFBDLO COC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000177566317 426495407 /nfs/dbraw/zinc/49/54/07/426495407.db2.gz HGXGZAGNQPUXMY-ZDUSSCGKSA-N 1 2 320.345 2.982 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(N2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000178204092 426586931 /nfs/dbraw/zinc/58/69/31/426586931.db2.gz JOJVAXFMBDXHHI-CYBMUJFWSA-N 1 2 313.361 2.632 20 5 DFBDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000178341452 426610402 /nfs/dbraw/zinc/61/04/02/426610402.db2.gz LCEJZJVTDBCTMT-AWEZNQCLSA-N 1 2 306.362 2.901 20 5 DFBDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000178341452 426610408 /nfs/dbraw/zinc/61/04/08/426610408.db2.gz LCEJZJVTDBCTMT-AWEZNQCLSA-N 1 2 306.362 2.901 20 5 DFBDLO C[NH+](C)[C@H](CNc1ncccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000265298109 426615103 /nfs/dbraw/zinc/61/51/03/426615103.db2.gz ZJLNIPPRNIRFGC-CYBMUJFWSA-N 1 2 322.315 2.983 20 5 DFBDLO COc1c(C)c[nH+]c(CN(C)c2ccc([N+](=O)[O-])c(C)n2)c1C ZINC000178031456 426558484 /nfs/dbraw/zinc/55/84/84/426558484.db2.gz QTAMWBJEOCYVLA-UHFFFAOYSA-N 1 2 316.361 2.955 20 5 DFBDLO C[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)CO1 ZINC000245821689 426774639 /nfs/dbraw/zinc/77/46/39/426774639.db2.gz DYZRJPGJURUBNK-NWDGAFQWSA-N 1 2 317.345 2.859 20 5 DFBDLO C[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)CO1 ZINC000245821689 426774642 /nfs/dbraw/zinc/77/46/42/426774642.db2.gz DYZRJPGJURUBNK-NWDGAFQWSA-N 1 2 317.345 2.859 20 5 DFBDLO CCOC(=O)C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C(C)C ZINC000179424247 426786544 /nfs/dbraw/zinc/78/65/44/426786544.db2.gz KJUUVCYUSVDBDN-VQHVLOKHSA-N 1 2 306.362 2.882 20 5 DFBDLO CCOC(=O)C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C(C)C ZINC000179424247 426786548 /nfs/dbraw/zinc/78/65/48/426786548.db2.gz KJUUVCYUSVDBDN-VQHVLOKHSA-N 1 2 306.362 2.882 20 5 DFBDLO Cn1ncc(Cl)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000189410971 426851042 /nfs/dbraw/zinc/85/10/42/426851042.db2.gz BNHFFUGMBHZAHL-UHFFFAOYSA-N 1 2 315.160 2.925 20 5 DFBDLO CC(C)[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1COC1 ZINC000295352326 426920607 /nfs/dbraw/zinc/92/06/07/426920607.db2.gz ITNUDHFJTOFLGX-UHFFFAOYSA-N 1 2 317.345 2.859 20 5 DFBDLO CC(C)[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1COC1 ZINC000295352326 426920613 /nfs/dbraw/zinc/92/06/13/426920613.db2.gz ITNUDHFJTOFLGX-UHFFFAOYSA-N 1 2 317.345 2.859 20 5 DFBDLO Cc1ccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c(C)[nH+]1 ZINC000181317034 426933188 /nfs/dbraw/zinc/93/31/88/426933188.db2.gz CDRVATWEOPCABR-UHFFFAOYSA-N 1 2 315.285 2.588 20 5 DFBDLO CCn1cc([C@@H](C)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)cn1 ZINC000296021551 427048261 /nfs/dbraw/zinc/04/82/61/427048261.db2.gz LXCFZTOTUVSAMO-SECBINFHSA-N 1 2 310.304 2.940 20 5 DFBDLO C[N@H+](CCc1ccncc1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000283898240 427096962 /nfs/dbraw/zinc/09/69/62/427096962.db2.gz GERSJZIZGIRZPH-UHFFFAOYSA-N 1 2 307.300 2.943 20 5 DFBDLO C[N@@H+](CCc1ccncc1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000283898240 427096967 /nfs/dbraw/zinc/09/69/67/427096967.db2.gz GERSJZIZGIRZPH-UHFFFAOYSA-N 1 2 307.300 2.943 20 5 DFBDLO CC1(C)C[C@H](O)CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000296212567 427113000 /nfs/dbraw/zinc/11/30/00/427113000.db2.gz VTJWCIXEOSQDIK-LLVKDONJSA-N 1 2 314.332 2.856 20 5 DFBDLO CC1(C)C[C@H](O)CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000296212567 427113007 /nfs/dbraw/zinc/11/30/07/427113007.db2.gz VTJWCIXEOSQDIK-LLVKDONJSA-N 1 2 314.332 2.856 20 5 DFBDLO CCC[C@H]([NH2+]Cc1nnc2n1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000268784684 427116006 /nfs/dbraw/zinc/11/60/06/427116006.db2.gz VGVNYDOWFBALFJ-AWEZNQCLSA-N 1 2 315.377 2.764 20 5 DFBDLO Cc1c([C@@H](C)[NH2+]Cc2nnc(C(C)C)[nH]2)cccc1[N+](=O)[O-] ZINC000296337166 427150278 /nfs/dbraw/zinc/15/02/78/427150278.db2.gz HPKMHXSGEJTKGY-LLVKDONJSA-N 1 2 303.366 2.996 20 5 DFBDLO CCOC(=O)[C@@H](C)[N@H+](Cc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000190836386 271222199 /nfs/dbraw/zinc/22/21/99/271222199.db2.gz INZHBNDEZADVGL-GFCCVEGCSA-N 1 2 306.362 2.819 20 5 DFBDLO CCOC(=O)[C@@H](C)[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000190836386 271222203 /nfs/dbraw/zinc/22/22/03/271222203.db2.gz INZHBNDEZADVGL-GFCCVEGCSA-N 1 2 306.362 2.819 20 5 DFBDLO CO[C@]1(C)CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285386147 427219039 /nfs/dbraw/zinc/21/90/39/427219039.db2.gz SJFHIQJIEQELCF-CQSZACIVSA-N 1 2 300.305 2.874 20 5 DFBDLO CO[C@]1(C)CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285386147 427219047 /nfs/dbraw/zinc/21/90/47/427219047.db2.gz SJFHIQJIEQELCF-CQSZACIVSA-N 1 2 300.305 2.874 20 5 DFBDLO CCCCC[N@H+](CC(N)=O)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000183055891 427191132 /nfs/dbraw/zinc/19/11/32/427191132.db2.gz WXKKZFXNWNZYSU-UHFFFAOYSA-N 1 2 313.785 2.726 20 5 DFBDLO CCCCC[N@@H+](CC(N)=O)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000183055891 427191140 /nfs/dbraw/zinc/19/11/40/427191140.db2.gz WXKKZFXNWNZYSU-UHFFFAOYSA-N 1 2 313.785 2.726 20 5 DFBDLO CC[C@@H]([NH2+][C@H](C)c1nc(COC)no1)c1cccc([N+](=O)[O-])c1 ZINC000183096919 427198681 /nfs/dbraw/zinc/19/86/81/427198681.db2.gz LAJBPEMBWRTLHS-ZWNOBZJWSA-N 1 2 320.349 2.926 20 5 DFBDLO COCc1noc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000183097013 427198942 /nfs/dbraw/zinc/19/89/42/427198942.db2.gz MGMYCSFPKZWBMX-WDEREUQCSA-N 1 2 320.349 2.844 20 5 DFBDLO Cc1[nH+]c(C(C)C)ccc1COC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000293152551 427224501 /nfs/dbraw/zinc/22/45/01/427224501.db2.gz UGYIATVKWGKZDD-UHFFFAOYSA-N 1 2 318.333 2.512 20 5 DFBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@H]1CCCC[C@@H]1O ZINC000285501210 427252035 /nfs/dbraw/zinc/25/20/35/427252035.db2.gz FBKCLAFZVHATTE-BMIGLBTASA-N 1 2 314.332 2.856 20 5 DFBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@H]1CCCC[C@@H]1O ZINC000285501210 427252043 /nfs/dbraw/zinc/25/20/43/427252043.db2.gz FBKCLAFZVHATTE-BMIGLBTASA-N 1 2 314.332 2.856 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1NCc1cn3c([nH+]1)CCCC3)CCN2 ZINC000278151026 427418843 /nfs/dbraw/zinc/41/88/43/427418843.db2.gz BIQCPLUWGAXOJZ-UHFFFAOYSA-N 1 2 313.361 2.708 20 5 DFBDLO CCn1cc[nH+]c1CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000297296711 427391586 /nfs/dbraw/zinc/39/15/86/427391586.db2.gz UPILXRNTSDNJJO-UHFFFAOYSA-N 1 2 316.361 2.666 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1nccs1 ZINC000184396497 427451062 /nfs/dbraw/zinc/45/10/62/427451062.db2.gz BRQWRJOHDXZUBM-JTQLQIEISA-N 1 2 320.374 2.649 20 5 DFBDLO CC[C@@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@@H](C)[S@]1=O ZINC000286093444 427425274 /nfs/dbraw/zinc/42/52/74/427425274.db2.gz SXIHUGGOOPFPFT-STPIAKFDSA-N 1 2 310.419 2.887 20 5 DFBDLO CC[C@@H]1C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@@H](C)[S@]1=O ZINC000286093444 427425280 /nfs/dbraw/zinc/42/52/80/427425280.db2.gz SXIHUGGOOPFPFT-STPIAKFDSA-N 1 2 310.419 2.887 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1F ZINC000278537068 427443892 /nfs/dbraw/zinc/44/38/92/427443892.db2.gz FWTAFVMPSYCFMJ-NEPJUHHUSA-N 1 2 322.258 2.622 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1F ZINC000278537068 427443900 /nfs/dbraw/zinc/44/39/00/427443900.db2.gz FWTAFVMPSYCFMJ-NEPJUHHUSA-N 1 2 322.258 2.622 20 5 DFBDLO COC(=O)[C@H](C)[N@H+](Cc1cccc([N+](=O)[O-])c1C)C1CCC1 ZINC000192381300 427533075 /nfs/dbraw/zinc/53/30/75/427533075.db2.gz KRTWAEGFSCPOMS-LBPRGKRZSA-N 1 2 306.362 2.819 20 5 DFBDLO COC(=O)[C@H](C)[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C1CCC1 ZINC000192381300 427533081 /nfs/dbraw/zinc/53/30/81/427533081.db2.gz KRTWAEGFSCPOMS-LBPRGKRZSA-N 1 2 306.362 2.819 20 5 DFBDLO CCCn1ncnc1C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000279081351 427554219 /nfs/dbraw/zinc/55/42/19/427554219.db2.gz LXVAWTWLAKPUSY-AWEZNQCLSA-N 1 2 303.366 2.837 20 5 DFBDLO Cc1sc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000263946599 427619215 /nfs/dbraw/zinc/61/92/15/427619215.db2.gz LWBXZYXANKLWRV-SNVBAGLBSA-N 1 2 320.374 2.708 20 5 DFBDLO C[C@H](c1ccsc1)[NH+]1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000192531781 427560090 /nfs/dbraw/zinc/56/00/90/427560090.db2.gz UIQJVDRIJDYGSQ-SNVBAGLBSA-N 1 2 324.431 2.996 20 5 DFBDLO COc1cc(C[N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])ccc1O ZINC000338962444 427591147 /nfs/dbraw/zinc/59/11/47/427591147.db2.gz HOLXTLUMDHIERH-UHFFFAOYSA-N 1 2 318.329 2.647 20 5 DFBDLO COc1cc(C[N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])ccc1O ZINC000338962444 427591148 /nfs/dbraw/zinc/59/11/48/427591148.db2.gz HOLXTLUMDHIERH-UHFFFAOYSA-N 1 2 318.329 2.647 20 5 DFBDLO Cc1cnn([C@@H]2CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)c1 ZINC000332367103 427592300 /nfs/dbraw/zinc/59/23/00/427592300.db2.gz VYUZZFSJBCTODU-CQSZACIVSA-N 1 2 316.361 2.642 20 5 DFBDLO Cc1cnn([C@@H]2CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)c1 ZINC000332367103 427592306 /nfs/dbraw/zinc/59/23/06/427592306.db2.gz VYUZZFSJBCTODU-CQSZACIVSA-N 1 2 316.361 2.642 20 5 DFBDLO Cc1cc(=O)[nH]c([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000192727832 427594177 /nfs/dbraw/zinc/59/41/77/427594177.db2.gz QZSNVCUAXSZMDZ-GHMZBOCLSA-N 1 2 302.334 2.811 20 5 DFBDLO CCC(CC)(CC(=O)OC)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339044586 427646649 /nfs/dbraw/zinc/64/66/49/427646649.db2.gz CNGCCLZJQAQMGW-UHFFFAOYSA-N 1 2 310.350 2.512 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](CCCO)c1ccccc1 ZINC000339070237 427663380 /nfs/dbraw/zinc/66/33/80/427663380.db2.gz IXCDKTOQJTZMJB-INIZCTEOSA-N 1 2 316.357 2.904 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000339094864 427673201 /nfs/dbraw/zinc/67/32/01/427673201.db2.gz YILICPMKJYQFLX-HNNXBMFYSA-N 1 2 306.362 2.691 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000339094864 427673205 /nfs/dbraw/zinc/67/32/05/427673205.db2.gz YILICPMKJYQFLX-HNNXBMFYSA-N 1 2 306.362 2.691 20 5 DFBDLO C[C@@]1(F)CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000295050594 427674070 /nfs/dbraw/zinc/67/40/70/427674070.db2.gz AQDRDHFFGQAVSK-OAHLLOKOSA-N 1 2 320.324 2.969 20 5 DFBDLO C[C@@]1(F)CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000295050594 427674077 /nfs/dbraw/zinc/67/40/77/427674077.db2.gz AQDRDHFFGQAVSK-OAHLLOKOSA-N 1 2 320.324 2.969 20 5 DFBDLO O=[N+]([O-])c1cccnc1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000298729063 427688894 /nfs/dbraw/zinc/68/88/94/427688894.db2.gz RNKBYLWUEWXNTG-UHFFFAOYSA-N 1 2 313.361 2.987 20 5 DFBDLO Cc1cc(NCCn2cccn2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301130914 427777409 /nfs/dbraw/zinc/77/74/09/427777409.db2.gz YGDFGMXVKNJXGQ-UHFFFAOYSA-N 1 2 324.344 2.669 20 5 DFBDLO C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339193396 427726101 /nfs/dbraw/zinc/72/61/01/427726101.db2.gz UNNKPELGRJCXQI-GXTWGEPZSA-N 1 2 308.378 2.816 20 5 DFBDLO C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339193396 427726103 /nfs/dbraw/zinc/72/61/03/427726103.db2.gz UNNKPELGRJCXQI-GXTWGEPZSA-N 1 2 308.378 2.816 20 5 DFBDLO Cc1nc(NCCc2[nH]c3ccc(F)cc3[nH+]2)ccc1[N+](=O)[O-] ZINC000301624956 427810686 /nfs/dbraw/zinc/81/06/86/427810686.db2.gz ANGVYADFICROTF-UHFFFAOYSA-N 1 2 315.308 2.968 20 5 DFBDLO Cc1nc(NC2CCN(c3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000301652140 427812648 /nfs/dbraw/zinc/81/26/48/427812648.db2.gz QMPPIBXNRLXKER-UHFFFAOYSA-N 1 2 313.361 2.774 20 5 DFBDLO Cc1cc(N[C@@]2(C)CCOC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301806588 427825873 /nfs/dbraw/zinc/82/58/73/427825873.db2.gz AFJBTJRTQDFQFV-INIZCTEOSA-N 1 2 314.345 2.951 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000345630560 427836987 /nfs/dbraw/zinc/83/69/87/427836987.db2.gz GAEPMZKLPAAUIM-GFCCVEGCSA-N 1 2 322.258 2.623 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000345630560 427836992 /nfs/dbraw/zinc/83/69/92/427836992.db2.gz GAEPMZKLPAAUIM-GFCCVEGCSA-N 1 2 322.258 2.623 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000349966310 427908084 /nfs/dbraw/zinc/90/80/84/427908084.db2.gz MHORLWHRWTZNLG-UHFFFAOYSA-N 1 2 319.405 2.734 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000349966310 427908090 /nfs/dbraw/zinc/90/80/90/427908090.db2.gz MHORLWHRWTZNLG-UHFFFAOYSA-N 1 2 319.405 2.734 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@H]3CCc4c[nH]nc4C3)c2c1 ZINC000413188647 427986693 /nfs/dbraw/zinc/98/66/93/427986693.db2.gz HTMCCHCAIGPPSW-LBPRGKRZSA-N 1 2 309.329 2.836 20 5 DFBDLO CC(C)c1ccc(C[NH+]2CC(n3cccn3)C2)cc1[N+](=O)[O-] ZINC000359976760 428101008 /nfs/dbraw/zinc/10/10/08/428101008.db2.gz VDYFWTQEZFUIGV-UHFFFAOYSA-N 1 2 300.362 2.972 20 5 DFBDLO CCCC(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000377120029 428065085 /nfs/dbraw/zinc/06/50/85/428065085.db2.gz LUYOKGJOBKZYGL-UHFFFAOYSA-N 1 2 323.368 2.568 20 5 DFBDLO CCCC(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000377120029 428065089 /nfs/dbraw/zinc/06/50/89/428065089.db2.gz LUYOKGJOBKZYGL-UHFFFAOYSA-N 1 2 323.368 2.568 20 5 DFBDLO CCOC(=O)[C@@H](C)[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CC1 ZINC000346371377 428145289 /nfs/dbraw/zinc/14/52/89/428145289.db2.gz LWGGWIRUAXVUSX-LLVKDONJSA-N 1 2 322.361 2.519 20 5 DFBDLO CCOC(=O)[C@@H](C)[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CC1 ZINC000346371377 428145290 /nfs/dbraw/zinc/14/52/90/428145290.db2.gz LWGGWIRUAXVUSX-LLVKDONJSA-N 1 2 322.361 2.519 20 5 DFBDLO CC[C@@H]1C[N@H+](CCNc2cc(C)c([N+](=O)[O-])cc2F)CCO1 ZINC000360083512 428150620 /nfs/dbraw/zinc/15/06/20/428150620.db2.gz QBQGEYMLPQNVFE-GFCCVEGCSA-N 1 2 311.357 2.565 20 5 DFBDLO CC[C@@H]1C[N@@H+](CCNc2cc(C)c([N+](=O)[O-])cc2F)CCO1 ZINC000360083512 428150626 /nfs/dbraw/zinc/15/06/26/428150626.db2.gz QBQGEYMLPQNVFE-GFCCVEGCSA-N 1 2 311.357 2.565 20 5 DFBDLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356516292 428213154 /nfs/dbraw/zinc/21/31/54/428213154.db2.gz STSMPSKXQGDXPA-UHFFFAOYSA-N 1 2 324.296 2.943 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cccc3c[nH]nc31)CCO2 ZINC000356530471 428221735 /nfs/dbraw/zinc/22/17/35/428221735.db2.gz SBHAAFPGIKKSMH-UHFFFAOYSA-N 1 2 324.340 2.866 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cccc3c[nH]nc31)CCO2 ZINC000356530471 428221740 /nfs/dbraw/zinc/22/17/40/428221740.db2.gz SBHAAFPGIKKSMH-UHFFFAOYSA-N 1 2 324.340 2.866 20 5 DFBDLO COc1cc(CN2CCC[C@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000352767234 428237669 /nfs/dbraw/zinc/23/76/69/428237669.db2.gz FKQSVQYBUPWJEU-ZDUSSCGKSA-N 1 2 302.334 2.664 20 5 DFBDLO Cn1c[nH+]c2c1CCN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000370702834 428278386 /nfs/dbraw/zinc/27/83/86/428278386.db2.gz TUGBJMFOPZVDHU-UHFFFAOYSA-N 1 2 306.753 2.540 20 5 DFBDLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000360556006 428346850 /nfs/dbraw/zinc/34/68/50/428346850.db2.gz FGPMLQLXKSQTMR-XHDPSFHLSA-N 1 2 306.362 2.677 20 5 DFBDLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000360556006 428346856 /nfs/dbraw/zinc/34/68/56/428346856.db2.gz FGPMLQLXKSQTMR-XHDPSFHLSA-N 1 2 306.362 2.677 20 5 DFBDLO COCc1nc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cs1 ZINC000353249569 428450755 /nfs/dbraw/zinc/45/07/55/428450755.db2.gz NRUQPDUXZVONRN-UHFFFAOYSA-N 1 2 311.338 2.627 20 5 DFBDLO Cc1nc(C(C)(C)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])no1 ZINC000357294100 428469341 /nfs/dbraw/zinc/46/93/41/428469341.db2.gz IEOOFKHRQJRVSE-VURMDHGXSA-N 1 2 302.334 2.824 20 5 DFBDLO Cc1cn2cc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)ccc2[nH+]1 ZINC000357167290 428415456 /nfs/dbraw/zinc/41/54/56/428415456.db2.gz SLPDRFGAXVJKSL-UHFFFAOYSA-N 1 2 310.313 2.732 20 5 DFBDLO CC[N@H+](Cc1nc(Cc2cccc([N+](=O)[O-])c2C)no1)C1CC1 ZINC000357315278 428479914 /nfs/dbraw/zinc/47/99/14/428479914.db2.gz NAUDWYKYPZFERH-UHFFFAOYSA-N 1 2 316.361 2.861 20 5 DFBDLO CC[N@@H+](Cc1nc(Cc2cccc([N+](=O)[O-])c2C)no1)C1CC1 ZINC000357315278 428479920 /nfs/dbraw/zinc/47/99/20/428479920.db2.gz NAUDWYKYPZFERH-UHFFFAOYSA-N 1 2 316.361 2.861 20 5 DFBDLO Cc1cccc(C2=CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)CC2)c1 ZINC000362358390 428717453 /nfs/dbraw/zinc/71/74/53/428717453.db2.gz LNXWIKDIMFTXFK-UHFFFAOYSA-N 1 2 312.373 2.926 20 5 DFBDLO Cc1cccc(C2=CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)CC2)c1 ZINC000362358390 428717457 /nfs/dbraw/zinc/71/74/57/428717457.db2.gz LNXWIKDIMFTXFK-UHFFFAOYSA-N 1 2 312.373 2.926 20 5 DFBDLO COC(=O)c1occc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344946182 428727544 /nfs/dbraw/zinc/72/75/44/428727544.db2.gz YPUSGHAPCIGXSG-UHFFFAOYSA-N 1 2 324.720 2.918 20 5 DFBDLO Cc1ccc(C[N@H+]2CC(=O)N(C(C)C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000353727412 428677505 /nfs/dbraw/zinc/67/75/05/428677505.db2.gz ZQRGFTSVLOOAHX-UHFFFAOYSA-N 1 2 319.405 2.734 20 5 DFBDLO Cc1ccc(C[N@@H+]2CC(=O)N(C(C)C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000353727412 428677509 /nfs/dbraw/zinc/67/75/09/428677509.db2.gz ZQRGFTSVLOOAHX-UHFFFAOYSA-N 1 2 319.405 2.734 20 5 DFBDLO CCC[C@H]([NH2+]Cc1ncnn1CC)c1cccc([N+](=O)[O-])c1 ZINC000359068802 428801697 /nfs/dbraw/zinc/80/16/97/428801697.db2.gz GNZXIVZZXNMAQA-AWEZNQCLSA-N 1 2 303.366 2.837 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000363323462 428905575 /nfs/dbraw/zinc/90/55/75/428905575.db2.gz YSIAKWDTRJDLAI-GOEBONIOSA-N 1 2 306.362 2.747 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000363323462 428905582 /nfs/dbraw/zinc/90/55/82/428905582.db2.gz YSIAKWDTRJDLAI-GOEBONIOSA-N 1 2 306.362 2.747 20 5 DFBDLO CCOc1cc(C[NH2+][C@@H](C)c2csnn2)ccc1[N+](=O)[O-] ZINC000412037140 428921885 /nfs/dbraw/zinc/92/18/85/428921885.db2.gz IZXMHJMNCBGFME-VIFPVBQESA-N 1 2 308.363 2.696 20 5 DFBDLO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccon1 ZINC000349250770 428950590 /nfs/dbraw/zinc/95/05/90/428950590.db2.gz ZIOVXYMTOVXSCF-QMMMGPOBSA-N 1 2 324.724 2.526 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000375728183 428957687 /nfs/dbraw/zinc/95/76/87/428957687.db2.gz YNDYITJIKBIGMR-CQSZACIVSA-N 1 2 302.334 2.664 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000375728183 428957690 /nfs/dbraw/zinc/95/76/90/428957690.db2.gz YNDYITJIKBIGMR-CQSZACIVSA-N 1 2 302.334 2.664 20 5 DFBDLO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000354824205 429011093 /nfs/dbraw/zinc/01/10/93/429011093.db2.gz CCOKHCHPRSFVQU-QWRGUYRKSA-N 1 2 318.352 2.975 20 5 DFBDLO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000354824205 429011097 /nfs/dbraw/zinc/01/10/97/429011097.db2.gz CCOKHCHPRSFVQU-QWRGUYRKSA-N 1 2 318.352 2.975 20 5 DFBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCc3cn[nH]c3C2)c1 ZINC000363937010 429143437 /nfs/dbraw/zinc/14/34/37/429143437.db2.gz IVXYCDQKODYDTB-LLVKDONJSA-N 1 2 306.753 2.618 20 5 DFBDLO CC(C)(CO)CCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413162512 429153598 /nfs/dbraw/zinc/15/35/98/429153598.db2.gz OKXANHJCRVUAMD-UHFFFAOYSA-N 1 2 303.362 3.354 20 5 DFBDLO CC(C)n1c[nH+]cc1CN1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000425371078 429281316 /nfs/dbraw/zinc/28/13/16/429281316.db2.gz PMXPOYSTVFKBMI-UHFFFAOYSA-N 1 2 316.361 2.635 20 5 DFBDLO Cc1cc[nH+]c(C)c1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000425599166 429327230 /nfs/dbraw/zinc/32/72/30/429327230.db2.gz ZIXGBJIMHZSCGL-UHFFFAOYSA-N 1 2 315.329 2.933 20 5 DFBDLO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2[nH+]ccn21 ZINC000456374631 429291939 /nfs/dbraw/zinc/29/19/39/429291939.db2.gz JQRJIGSUMHRNBY-UFBFGSQYSA-N 1 2 320.736 2.881 20 5 DFBDLO C[C@@H]1C[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456392809 429296659 /nfs/dbraw/zinc/29/66/59/429296659.db2.gz RGTNBTWRHDHQPC-PRHODGIISA-N 1 2 320.736 2.881 20 5 DFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425505726 429312920 /nfs/dbraw/zinc/31/29/20/429312920.db2.gz YYUVQPJVTPYEQP-ZDUSSCGKSA-N 1 2 321.768 2.677 20 5 DFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425505726 429312924 /nfs/dbraw/zinc/31/29/24/429312924.db2.gz YYUVQPJVTPYEQP-ZDUSSCGKSA-N 1 2 321.768 2.677 20 5 DFBDLO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000449416393 429408300 /nfs/dbraw/zinc/40/83/00/429408300.db2.gz SWVRSCLPWZPKMI-KGLIPLIRSA-N 1 2 322.361 2.512 20 5 DFBDLO Cc1cccc(C(=O)Nc2nc(C[NH+](C)C)cs2)c1[N+](=O)[O-] ZINC000457287280 429439041 /nfs/dbraw/zinc/43/90/41/429439041.db2.gz IOUDVAKIMBXWLU-UHFFFAOYSA-N 1 2 320.374 2.674 20 5 DFBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3csnn3)C2)cc1 ZINC000449499306 429435211 /nfs/dbraw/zinc/43/52/11/429435211.db2.gz LRSVAHNYNGGBIB-GFCCVEGCSA-N 1 2 304.375 2.826 20 5 DFBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3csnn3)C2)cc1 ZINC000449499306 429435215 /nfs/dbraw/zinc/43/52/15/429435215.db2.gz LRSVAHNYNGGBIB-GFCCVEGCSA-N 1 2 304.375 2.826 20 5 DFBDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000492371269 429523955 /nfs/dbraw/zinc/52/39/55/429523955.db2.gz ZCAYEEVRBMMJTH-JLVNDZCYSA-N 1 2 314.345 2.702 20 5 DFBDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000492495114 429551102 /nfs/dbraw/zinc/55/11/02/429551102.db2.gz VEPXRCJVBKCWEA-ARJAWSKDSA-N 1 2 322.271 2.741 20 5 DFBDLO CCOC(=O)c1cc(NCc2[nH+]ccn2CC)ccc1[N+](=O)[O-] ZINC000450684804 429677684 /nfs/dbraw/zinc/67/76/84/429677684.db2.gz SAEYIAKJCOQTGV-UHFFFAOYSA-N 1 2 318.333 2.600 20 5 DFBDLO COC(=O)c1csc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000450689614 429677866 /nfs/dbraw/zinc/67/78/66/429677866.db2.gz SQTNCBGXXUQJOJ-SECBINFHSA-N 1 2 321.358 2.689 20 5 DFBDLO C[C@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450966650 429740834 /nfs/dbraw/zinc/74/08/34/429740834.db2.gz HBULDAOGCCMOPS-AAEUAGOBSA-N 1 2 314.345 2.699 20 5 DFBDLO COC(=O)[C@@H](CC(C)C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000451267667 429799236 /nfs/dbraw/zinc/79/92/36/429799236.db2.gz OGSBPEMSHMVUAU-OAHLLOKOSA-N 1 2 308.378 2.923 20 5 DFBDLO COC(=O)[C@@H](CC(C)C)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000451267667 429799241 /nfs/dbraw/zinc/79/92/41/429799241.db2.gz OGSBPEMSHMVUAU-OAHLLOKOSA-N 1 2 308.378 2.923 20 5 DFBDLO CCOc1cc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000493547071 429784265 /nfs/dbraw/zinc/78/42/65/429784265.db2.gz NPNAZOAVVKZJOB-RWMBFGLXSA-N 1 2 308.378 2.991 20 5 DFBDLO CCOc1cc(C[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000493547071 429784269 /nfs/dbraw/zinc/78/42/69/429784269.db2.gz NPNAZOAVVKZJOB-RWMBFGLXSA-N 1 2 308.378 2.991 20 5 DFBDLO O=[N+]([O-])c1ccc(F)cc1NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000368107941 429788103 /nfs/dbraw/zinc/78/81/03/429788103.db2.gz HSMQWEYPBIYDFQ-UHFFFAOYSA-N 1 2 313.292 2.927 20 5 DFBDLO CCOc1cccc(N2CCn3cc(C)[nH+]c3C2)c1[N+](=O)[O-] ZINC000368119402 429792679 /nfs/dbraw/zinc/79/26/79/429792679.db2.gz USRNBNZNVJSNKD-UHFFFAOYSA-N 1 2 302.334 2.519 20 5 DFBDLO CCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544716 429850075 /nfs/dbraw/zinc/85/00/75/429850075.db2.gz FMVKQVRFHPAOJX-OCCSQVGLSA-N 1 2 306.362 2.726 20 5 DFBDLO CCOC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544716 429850077 /nfs/dbraw/zinc/85/00/77/429850077.db2.gz FMVKQVRFHPAOJX-OCCSQVGLSA-N 1 2 306.362 2.726 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@](F)(c2ccc(F)cc2)C1 ZINC000368526543 429861657 /nfs/dbraw/zinc/86/16/57/429861657.db2.gz INAZPUCSGJELSQ-OAHLLOKOSA-N 1 2 322.315 2.538 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@](F)(c2ccc(F)cc2)C1 ZINC000368526543 429861661 /nfs/dbraw/zinc/86/16/61/429861661.db2.gz INAZPUCSGJELSQ-OAHLLOKOSA-N 1 2 322.315 2.538 20 5 DFBDLO C/C(=C\c1ccccc1)C[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000494232960 429861877 /nfs/dbraw/zinc/86/18/77/429861877.db2.gz FBGXAQYCFUHVKS-UKTHLTGXSA-N 1 2 300.362 2.864 20 5 DFBDLO C/C(=C\c1ccccc1)C[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000494232960 429861879 /nfs/dbraw/zinc/86/18/79/429861879.db2.gz FBGXAQYCFUHVKS-UKTHLTGXSA-N 1 2 300.362 2.864 20 5 DFBDLO C[C@@H]1Cc2[nH+]cn(Cc3cc(O)ccc3[N+](=O)[O-])c2C[C@@H]1C ZINC000451337746 429813165 /nfs/dbraw/zinc/81/31/65/429813165.db2.gz GPQARQSWBATIMZ-MNOVXSKESA-N 1 2 301.346 2.916 20 5 DFBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000573253783 429938507 /nfs/dbraw/zinc/93/85/07/429938507.db2.gz FCEMVOZNUMTQLA-LLVKDONJSA-N 1 2 302.334 2.944 20 5 DFBDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000369410325 429939357 /nfs/dbraw/zinc/93/93/57/429939357.db2.gz WNDZPLKJUVUWSY-WQGACYEGSA-N 1 2 324.352 2.502 20 5 DFBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000369410325 429939362 /nfs/dbraw/zinc/93/93/62/429939362.db2.gz WNDZPLKJUVUWSY-WQGACYEGSA-N 1 2 324.352 2.502 20 5 DFBDLO CCOC(=O)[C@@H](CC(C)C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000542931555 430233125 /nfs/dbraw/zinc/23/31/25/430233125.db2.gz GDPHEJWZDCTFHJ-OAHLLOKOSA-N 1 2 308.378 2.705 20 5 DFBDLO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582796394 430335739 /nfs/dbraw/zinc/33/57/39/430335739.db2.gz OLNAOFSCGDERKB-KBPBESRZSA-N 1 2 313.361 2.607 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)[nH+]cc2C)c1 ZINC000549007129 430514387 /nfs/dbraw/zinc/51/43/87/430514387.db2.gz QBYHCAAKMDMDPW-UHFFFAOYSA-N 1 2 315.329 2.680 20 5 DFBDLO CC(C)O[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000570276760 430530561 /nfs/dbraw/zinc/53/05/61/430530561.db2.gz QURUFLIIOACVGU-LLVKDONJSA-N 1 2 300.305 2.872 20 5 DFBDLO CC(C)O[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000570276760 430530564 /nfs/dbraw/zinc/53/05/64/430530564.db2.gz QURUFLIIOACVGU-LLVKDONJSA-N 1 2 300.305 2.872 20 5 DFBDLO CC(C)(C)c1nc(NCCc2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000611143865 430566981 /nfs/dbraw/zinc/56/69/81/430566981.db2.gz CHINGZCQVKWOIJ-UHFFFAOYSA-N 1 2 300.362 3.337 20 5 DFBDLO CCc1cc(N)nc(SCc2c(F)cccc2[N+](=O)[O-])[nH+]1 ZINC000619166440 430595659 /nfs/dbraw/zinc/59/56/59/430595659.db2.gz RHSJMNSNLOFGCU-UHFFFAOYSA-N 1 2 308.338 2.961 20 5 DFBDLO COc1cc(C[N@@H+]2CC[C@H](OC(F)F)C2)c([N+](=O)[O-])cc1F ZINC000555071690 430659062 /nfs/dbraw/zinc/65/90/62/430659062.db2.gz SXAWZDNEQISHBW-VIFPVBQESA-N 1 2 320.267 2.556 20 5 DFBDLO COc1cc(C[N@H+]2CC[C@H](OC(F)F)C2)c([N+](=O)[O-])cc1F ZINC000555071690 430659065 /nfs/dbraw/zinc/65/90/65/430659065.db2.gz SXAWZDNEQISHBW-VIFPVBQESA-N 1 2 320.267 2.556 20 5 DFBDLO CC(C)c1ccc(C[N@@H+]2CC[S@](=O)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000365445214 278036899 /nfs/dbraw/zinc/03/68/99/278036899.db2.gz CADHYSAZSCNXAS-DMZKTXOQSA-N 1 2 324.446 2.919 20 5 DFBDLO CC(C)c1ccc(C[N@H+]2CC[S@](=O)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000365445214 278036901 /nfs/dbraw/zinc/03/69/01/278036901.db2.gz CADHYSAZSCNXAS-DMZKTXOQSA-N 1 2 324.446 2.919 20 5 DFBDLO O=C1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C2(CCC2)C1 ZINC000572539899 430690518 /nfs/dbraw/zinc/69/05/18/430690518.db2.gz PDEDGHNEQRVCLN-UHFFFAOYSA-N 1 2 304.346 2.561 20 5 DFBDLO O=C1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C2(CCC2)C1 ZINC000572539899 430690519 /nfs/dbraw/zinc/69/05/19/430690519.db2.gz PDEDGHNEQRVCLN-UHFFFAOYSA-N 1 2 304.346 2.561 20 5 DFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000356454458 278312864 /nfs/dbraw/zinc/31/28/64/278312864.db2.gz LKELKXVXQZPEOP-GFCCVEGCSA-N 1 2 315.377 2.644 20 5 DFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000356454458 278312865 /nfs/dbraw/zinc/31/28/65/278312865.db2.gz LKELKXVXQZPEOP-GFCCVEGCSA-N 1 2 315.377 2.644 20 5 DFBDLO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000124389670 278541542 /nfs/dbraw/zinc/54/15/42/278541542.db2.gz LEFWIYNXWVHEQL-IUODEOHRSA-N 1 2 314.345 2.515 20 5 DFBDLO O=[N+]([O-])c1cc(Br)ccc1N1CCn2cc[nH+]c2C1 ZINC000061591094 280356195 /nfs/dbraw/zinc/35/61/95/280356195.db2.gz CEDHYDZFXAQJBQ-UHFFFAOYSA-N 1 2 323.150 2.574 20 5 DFBDLO Cc1cccc([C@@]2(F)CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)c1 ZINC000370568326 281253577 /nfs/dbraw/zinc/25/35/77/281253577.db2.gz LFCCNSMEPQKRQP-MRXNPFEDSA-N 1 2 318.352 2.707 20 5 DFBDLO Cc1cccc([C@@]2(F)CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)c1 ZINC000370568326 281253580 /nfs/dbraw/zinc/25/35/80/281253580.db2.gz LFCCNSMEPQKRQP-MRXNPFEDSA-N 1 2 318.352 2.707 20 5 DFBDLO CC(=O)c1ccc(N2CCn3c(C)c(C)[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000377495809 295477348 /nfs/dbraw/zinc/47/73/48/295477348.db2.gz PNPLISOYDPTWEK-UHFFFAOYSA-N 1 2 314.345 2.631 20 5 DFBDLO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1c([N+](=O)[O-])ncn1C ZINC000442887570 297209478 /nfs/dbraw/zinc/20/94/78/297209478.db2.gz ZBTOIRGMEJSIRO-UHFFFAOYSA-N 1 2 313.361 2.832 20 5 DFBDLO CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1c([N+](=O)[O-])ncn1C ZINC000442887570 297209481 /nfs/dbraw/zinc/20/94/81/297209481.db2.gz ZBTOIRGMEJSIRO-UHFFFAOYSA-N 1 2 313.361 2.832 20 5 DFBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCCC1 ZINC000448639474 297351474 /nfs/dbraw/zinc/35/14/74/297351474.db2.gz RBEDCZNTHNOTGQ-UHFFFAOYSA-N 1 2 314.345 2.795 20 5 DFBDLO CCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)C ZINC000448752172 297364034 /nfs/dbraw/zinc/36/40/34/297364034.db2.gz QVHFQHBKPHSJRD-UHFFFAOYSA-N 1 2 302.334 2.651 20 5 DFBDLO CN(CCCn1cc[nH+]c1)c1nccc2c1cccc2[N+](=O)[O-] ZINC000450397133 297623993 /nfs/dbraw/zinc/62/39/93/297623993.db2.gz VFDNOOUHSUXJRH-UHFFFAOYSA-N 1 2 311.345 2.866 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000454137626 298125021 /nfs/dbraw/zinc/12/50/21/298125021.db2.gz BUWCWDUHGAGKEZ-MFKMUULPSA-N 1 2 315.333 2.927 20 5 DFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000454142581 298125723 /nfs/dbraw/zinc/12/57/23/298125723.db2.gz RXVWINAVKOSRQQ-JTQLQIEISA-N 1 2 303.322 2.694 20 5 DFBDLO Cc1c(NC(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)cccc1[N+](=O)[O-] ZINC000454203316 298135349 /nfs/dbraw/zinc/13/53/49/298135349.db2.gz QSNMPEXPWWEZNY-BXKDBHETSA-N 1 2 315.333 2.927 20 5 DFBDLO Cc1cc(C)c(CNC(=O)NCc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000454271461 298147579 /nfs/dbraw/zinc/14/75/79/298147579.db2.gz HHBMJAVIEGQALL-UHFFFAOYSA-N 1 2 314.345 2.606 20 5 DFBDLO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1(C(F)F)CC1 ZINC000503883607 300222036 /nfs/dbraw/zinc/22/20/36/300222036.db2.gz FGHORWJFHUMUCK-VIFPVBQESA-N 1 2 313.304 2.699 20 5 DFBDLO CC(C)c1ccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000516118732 300330194 /nfs/dbraw/zinc/33/01/94/300330194.db2.gz AVAFYRRIGYPMMO-SNVBAGLBSA-N 1 2 302.334 2.932 20 5 DFBDLO Cc1c[nH]c(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)[nH+]1 ZINC000516481635 300344133 /nfs/dbraw/zinc/34/41/33/300344133.db2.gz IAKMGOJHDLYDED-UHFFFAOYSA-N 1 2 302.334 2.600 20 5 DFBDLO Cc1cc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(C)c[nH+]1 ZINC000536574330 301280221 /nfs/dbraw/zinc/28/02/21/301280221.db2.gz CNKDUUGEGXFEOY-UHFFFAOYSA-N 1 2 317.370 2.759 20 5 DFBDLO CCc1nnc([C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)[nH]1 ZINC000537943033 301314161 /nfs/dbraw/zinc/31/41/61/301314161.db2.gz ZCTNOUKKIOYVGO-MNOVXSKESA-N 1 2 303.366 2.996 20 5 DFBDLO COCc1cc([N+](=O)[O-])ccc1NCCCCn1cc[nH+]c1 ZINC000540905997 301373788 /nfs/dbraw/zinc/37/37/88/301373788.db2.gz NYZJOQJKCRKVBP-UHFFFAOYSA-N 1 2 304.350 2.830 20 5 DFBDLO Cc1ccc([C@@H](C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1[N+](=O)[O-] ZINC000565184712 302203588 /nfs/dbraw/zinc/20/35/88/302203588.db2.gz BUMUIPMZQCZYLB-VXGBXAGGSA-N 1 2 316.361 2.682 20 5 DFBDLO Cc1ccc([C@@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000565184712 302203591 /nfs/dbraw/zinc/20/35/91/302203591.db2.gz BUMUIPMZQCZYLB-VXGBXAGGSA-N 1 2 316.361 2.682 20 5 DFBDLO Cc1cnc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000268296195 302351953 /nfs/dbraw/zinc/35/19/53/302351953.db2.gz WOQFZXBSULPJBO-TZMCWYRMSA-N 1 2 301.350 2.582 20 5 DFBDLO Cc1nnc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1C1CC1 ZINC000181813330 316073333 /nfs/dbraw/zinc/07/33/33/316073333.db2.gz OCEXYPQFDCITNJ-NSHDSACASA-N 1 2 315.377 2.989 20 5 DFBDLO CC(C)OC(=O)[C@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000449668771 317050517 /nfs/dbraw/zinc/05/05/17/317050517.db2.gz WXKDBMOFVXOZTE-STQMWFEESA-N 1 2 308.378 2.846 20 5 DFBDLO COC[C@H]1CCCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000452040064 317121049 /nfs/dbraw/zinc/12/10/49/317121049.db2.gz PNLMZCSMBAJUJN-SNVBAGLBSA-N 1 2 300.305 2.874 20 5 DFBDLO COC[C@H]1CCCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000452040064 317121053 /nfs/dbraw/zinc/12/10/53/317121053.db2.gz PNLMZCSMBAJUJN-SNVBAGLBSA-N 1 2 300.305 2.874 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000576994978 318164631 /nfs/dbraw/zinc/16/46/31/318164631.db2.gz ZHCXRQJKOJSLCX-LBPRGKRZSA-N 1 2 302.334 2.998 20 5 DFBDLO COc1cccc([N+](=O)[O-])c1N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000577906312 318225448 /nfs/dbraw/zinc/22/54/48/318225448.db2.gz GNVAVYZWTMMXTM-GXTWGEPZSA-N 1 2 316.361 2.887 20 5 DFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000578416814 318258661 /nfs/dbraw/zinc/25/86/61/318258661.db2.gz JDAKVRWBAWOSPL-VXGBXAGGSA-N 1 2 316.361 2.792 20 5 DFBDLO CC1(C)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451755305 500639597 /nfs/dbraw/zinc/63/95/97/500639597.db2.gz FMNGWEHNMWGEHS-CQSZACIVSA-N 1 2 314.345 2.699 20 5 DFBDLO C[C@H]([NH2+]Cc1nnc(C(C)(C)C)[nH]1)c1ccccc1[N+](=O)[O-] ZINC000292808842 533942311 /nfs/dbraw/zinc/94/23/11/533942311.db2.gz CBFJHHRDTGMVBV-JTQLQIEISA-N 1 2 303.366 2.861 20 5 DFBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCCc2cc[nH+]cc2C)c1 ZINC000302204140 534245628 /nfs/dbraw/zinc/24/56/28/534245628.db2.gz WGOKSMLBRIGECU-UHFFFAOYSA-N 1 2 315.329 2.739 20 5 DFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3ccn[nH]3)CC2)cc1F ZINC000364961803 527348736 /nfs/dbraw/zinc/34/87/36/527348736.db2.gz JHBWUMUXGYSBCT-UHFFFAOYSA-N 1 2 304.325 2.837 20 5 DFBDLO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000324211568 528115314 /nfs/dbraw/zinc/11/53/14/528115314.db2.gz STQNNRDLEPFDAQ-GFCCVEGCSA-N 1 2 323.393 2.541 20 5 DFBDLO CCc1c[nH+]ccc1NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000354882799 536086669 /nfs/dbraw/zinc/08/66/69/536086669.db2.gz CBPOKCHHIGDVMW-UHFFFAOYSA-N 1 2 305.721 2.880 20 5 DFBDLO CC(C)OC(=O)CCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413037829 295670097 /nfs/dbraw/zinc/67/00/97/295670097.db2.gz SGFAJIAQFQYURD-UHFFFAOYSA-N 1 2 303.318 2.897 20 5 DFBDLO COCc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)o1 ZINC000278745363 214371716 /nfs/dbraw/zinc/37/17/16/214371716.db2.gz RMOOVRHYFZCZMK-UHFFFAOYSA-N 1 2 316.317 2.500 20 5 DFBDLO O=[N+]([O-])c1cccc(Br)c1N1CCn2c[nH+]cc2C1 ZINC000596238630 398364841 /nfs/dbraw/zinc/36/48/41/398364841.db2.gz PYVFJNYDVMYGIT-UHFFFAOYSA-N 1 2 323.150 2.574 20 5 DFBDLO C[C@@H](CC[S@@](C)=O)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413167622 295682320 /nfs/dbraw/zinc/68/23/20/295682320.db2.gz LVPXRMVXDUNMMF-CHNSCGDPSA-N 1 2 307.375 2.712 20 5 DFBDLO Cc1ccc(C[N@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])o1 ZINC000007976021 398368173 /nfs/dbraw/zinc/36/81/73/398368173.db2.gz XIKJBBVXIWOSCN-UHFFFAOYSA-N 1 2 317.345 2.875 20 5 DFBDLO Cc1ccc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])o1 ZINC000007976021 398368174 /nfs/dbraw/zinc/36/81/74/398368174.db2.gz XIKJBBVXIWOSCN-UHFFFAOYSA-N 1 2 317.345 2.875 20 5 DFBDLO CCn1cc[nH+]c1CNc1cc(C)c([N+](=O)[O-])cc1C(=O)OC ZINC000294917040 529580534 /nfs/dbraw/zinc/58/05/34/529580534.db2.gz GGSROFAFEFYJQK-UHFFFAOYSA-N 1 2 318.333 2.518 20 5 DFBDLO CCn1nc(C)c([N+](=O)[O-])c1NCCCc1[nH+]cccc1C ZINC000295040403 529602187 /nfs/dbraw/zinc/60/21/87/529602187.db2.gz SRSYZNGRGPLJEC-UHFFFAOYSA-N 1 2 303.366 2.868 20 5 DFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(O)(C(F)(F)F)CC2)c(F)c1 ZINC000089969921 185272387 /nfs/dbraw/zinc/27/23/87/185272387.db2.gz NQAMYLNREVLGFU-UHFFFAOYSA-N 1 2 322.258 2.623 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCSC(C)(C)C1 ZINC000083418821 398386986 /nfs/dbraw/zinc/38/69/86/398386986.db2.gz FOTRGHQTXDAADF-UHFFFAOYSA-N 1 2 323.418 2.669 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCSC(C)(C)C1 ZINC000083418821 398386988 /nfs/dbraw/zinc/38/69/88/398386988.db2.gz FOTRGHQTXDAADF-UHFFFAOYSA-N 1 2 323.418 2.669 20 5 DFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000592130187 398389022 /nfs/dbraw/zinc/38/90/22/398389022.db2.gz ZDNLIGUOVDXVPS-RISCZKNCSA-N 1 2 311.332 2.681 20 5 DFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000592130187 398389025 /nfs/dbraw/zinc/38/90/25/398389025.db2.gz ZDNLIGUOVDXVPS-RISCZKNCSA-N 1 2 311.332 2.681 20 5 DFBDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000066939830 398408382 /nfs/dbraw/zinc/40/83/82/398408382.db2.gz VNKLCCQUBRWNPP-BMIGLBTASA-N 1 2 317.320 2.611 20 5 DFBDLO CCOc1cccc(NCC[N@@H+]2C[C@H](C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000596433988 398410659 /nfs/dbraw/zinc/41/06/59/398410659.db2.gz VZAXFBIAONFIGD-OLZOCXBDSA-N 1 2 323.393 2.515 20 5 DFBDLO CCOc1cccc(NCC[N@H+]2C[C@H](C)OC[C@H]2C)c1[N+](=O)[O-] ZINC000596433988 398410663 /nfs/dbraw/zinc/41/06/63/398410663.db2.gz VZAXFBIAONFIGD-OLZOCXBDSA-N 1 2 323.393 2.515 20 5 DFBDLO COC(=O)c1cc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)oc1C ZINC000026737849 398456373 /nfs/dbraw/zinc/45/63/73/398456373.db2.gz LEPMGISKBAAOTG-UHFFFAOYSA-N 1 2 318.329 2.915 20 5 DFBDLO COC(=O)c1cc(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)oc1C ZINC000026737849 398456374 /nfs/dbraw/zinc/45/63/74/398456374.db2.gz LEPMGISKBAAOTG-UHFFFAOYSA-N 1 2 318.329 2.915 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCSC[C@H]2CCO)c(Cl)c1 ZINC000330819470 232090630 /nfs/dbraw/zinc/09/06/30/232090630.db2.gz SIGFZUHABKCWIH-GFCCVEGCSA-N 1 2 316.810 2.548 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCSC[C@H]2CCO)c(Cl)c1 ZINC000330819470 232090633 /nfs/dbraw/zinc/09/06/33/232090633.db2.gz SIGFZUHABKCWIH-GFCCVEGCSA-N 1 2 316.810 2.548 20 5 DFBDLO O=[N+]([O-])c1ccc(NCCn2cc[nH+]c2)nc1-c1ccccc1 ZINC000090066832 398476961 /nfs/dbraw/zinc/47/69/61/398476961.db2.gz HHQQKEIXPPJBMB-UHFFFAOYSA-N 1 2 309.329 2.965 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2CCC(C3(O)CC3)CC2)c(F)c1 ZINC000593046217 398529108 /nfs/dbraw/zinc/52/91/08/398529108.db2.gz XQUYMENXBUZXHD-UHFFFAOYSA-N 1 2 312.316 2.610 20 5 DFBDLO Cn1c[nH+]cc1[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000589128310 398529136 /nfs/dbraw/zinc/52/91/36/398529136.db2.gz YNTQATYBYVYBNG-CQSZACIVSA-N 1 2 314.345 2.696 20 5 DFBDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](CC)CO1 ZINC000593059717 398534515 /nfs/dbraw/zinc/53/45/15/398534515.db2.gz SNIKXLMLPMZDAC-KBPBESRZSA-N 1 2 308.378 2.993 20 5 DFBDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](CC)CO1 ZINC000593059717 398534519 /nfs/dbraw/zinc/53/45/19/398534519.db2.gz SNIKXLMLPMZDAC-KBPBESRZSA-N 1 2 308.378 2.993 20 5 DFBDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000593060016 398534603 /nfs/dbraw/zinc/53/46/03/398534603.db2.gz VVBZGOISFMSQAQ-HIFRSBDPSA-N 1 2 308.378 2.993 20 5 DFBDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000593060016 398534606 /nfs/dbraw/zinc/53/46/06/398534606.db2.gz VVBZGOISFMSQAQ-HIFRSBDPSA-N 1 2 308.378 2.993 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000589200198 398536571 /nfs/dbraw/zinc/53/65/71/398536571.db2.gz WHMIPTKDDIFKFL-KBPBESRZSA-N 1 2 320.389 2.939 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000589200198 398536576 /nfs/dbraw/zinc/53/65/76/398536576.db2.gz WHMIPTKDDIFKFL-KBPBESRZSA-N 1 2 320.389 2.939 20 5 DFBDLO CC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCCOC1 ZINC000593069241 398537808 /nfs/dbraw/zinc/53/78/08/398537808.db2.gz IXDJTXYGCSSLNK-JTQLQIEISA-N 1 2 300.305 2.874 20 5 DFBDLO CC[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCCOC1 ZINC000593069241 398537812 /nfs/dbraw/zinc/53/78/12/398537812.db2.gz IXDJTXYGCSSLNK-JTQLQIEISA-N 1 2 300.305 2.874 20 5 DFBDLO COCCCOC1C[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000459599269 299144853 /nfs/dbraw/zinc/14/48/53/299144853.db2.gz XMBFKWPKZGBRLJ-NTEUORMPSA-N 1 2 320.389 2.735 20 5 DFBDLO C[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000091959750 398550362 /nfs/dbraw/zinc/55/03/62/398550362.db2.gz FVFHRJAGVJJVSV-WBMJQRKESA-N 1 2 316.361 2.580 20 5 DFBDLO C[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000091959750 398550363 /nfs/dbraw/zinc/55/03/63/398550363.db2.gz FVFHRJAGVJJVSV-WBMJQRKESA-N 1 2 316.361 2.580 20 5 DFBDLO COc1ccsc1C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000459625790 299150986 /nfs/dbraw/zinc/15/09/86/299150986.db2.gz YRVZSPSIVYIUFQ-UHFFFAOYSA-N 1 2 320.370 2.928 20 5 DFBDLO COCC1(C)C[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000459625593 299150954 /nfs/dbraw/zinc/15/09/54/299150954.db2.gz XWYWJAZZEOBTQZ-UHFFFAOYSA-N 1 2 316.304 2.665 20 5 DFBDLO CCc1ccc(C(=O)Nc2c[nH+]ccc2OC)cc1[N+](=O)[O-] ZINC000081936145 282641901 /nfs/dbraw/zinc/64/19/01/282641901.db2.gz APLPZWAQMHOAQN-UHFFFAOYSA-N 1 2 301.302 2.813 20 5 DFBDLO CC1(C)CC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000287105812 219317987 /nfs/dbraw/zinc/31/79/87/219317987.db2.gz LNFRMMREGKMKLY-CQSZACIVSA-N 1 2 314.345 2.699 20 5 DFBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H](CCO)c1ccccc1 ZINC000093442306 398637211 /nfs/dbraw/zinc/63/72/11/398637211.db2.gz RUXPJODKECXJQD-MRXNPFEDSA-N 1 2 316.357 2.856 20 5 DFBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H](CCO)c1ccccc1 ZINC000093442306 398637214 /nfs/dbraw/zinc/63/72/14/398637214.db2.gz RUXPJODKECXJQD-MRXNPFEDSA-N 1 2 316.357 2.856 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000072768603 398636160 /nfs/dbraw/zinc/63/61/60/398636160.db2.gz RIVKNMZIEOBHHC-TXEJJXNPSA-N 1 2 323.418 2.668 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000072768603 398636161 /nfs/dbraw/zinc/63/61/61/398636161.db2.gz RIVKNMZIEOBHHC-TXEJJXNPSA-N 1 2 323.418 2.668 20 5 DFBDLO Cc1c([C@@H](C)[NH2+]Cc2nnc3n2CCCC3)cccc1[N+](=O)[O-] ZINC000183843737 186223226 /nfs/dbraw/zinc/22/32/26/186223226.db2.gz ZJVWRJMCDRQGAJ-GFCCVEGCSA-N 1 2 315.377 2.682 20 5 DFBDLO Cc1cc(NCC[C@@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000265154311 186342322 /nfs/dbraw/zinc/34/23/22/186342322.db2.gz UJDSKEVHHXYHMC-LLVKDONJSA-N 1 2 302.334 2.543 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459751784 299181908 /nfs/dbraw/zinc/18/19/08/299181908.db2.gz KPOKHPBVQKGZEX-DOTOQJQBSA-N 1 2 320.389 2.673 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459751784 299181910 /nfs/dbraw/zinc/18/19/10/299181910.db2.gz KPOKHPBVQKGZEX-DOTOQJQBSA-N 1 2 320.389 2.673 20 5 DFBDLO C[C@H]1C[C@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000331923244 234281755 /nfs/dbraw/zinc/28/17/55/234281755.db2.gz MJVSYHZQKHBDOW-RYUDHWBXSA-N 1 2 314.345 2.651 20 5 DFBDLO CC[C@@H](Nc1[nH+]cnc2c1cnn2C)c1cccc([N+](=O)[O-])c1 ZINC000174931292 198404187 /nfs/dbraw/zinc/40/41/87/198404187.db2.gz UROTZHKNEVECLW-CYBMUJFWSA-N 1 2 312.333 2.835 20 5 DFBDLO O=[N+]([O-])c1ccc(OC2C[NH+](Cc3ccc(O)cc3)C2)cc1 ZINC000590969905 398710874 /nfs/dbraw/zinc/71/08/74/398710874.db2.gz XYVBUACVVNSBBH-UHFFFAOYSA-N 1 2 300.314 2.564 20 5 DFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3ccn[nH]3)CC2)c(F)c1 ZINC000332476201 235011357 /nfs/dbraw/zinc/01/13/57/235011357.db2.gz VEGVFTCTQNCLKY-UHFFFAOYSA-N 1 2 304.325 2.837 20 5 DFBDLO O=[N+]([O-])c1cc(C[NH+]2CCN(c3ccccc3)CC2)cs1 ZINC000047264483 398742195 /nfs/dbraw/zinc/74/21/95/398742195.db2.gz HTQKHLFXKCKOCC-UHFFFAOYSA-N 1 2 303.387 2.979 20 5 DFBDLO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000591632523 398777983 /nfs/dbraw/zinc/77/79/83/398777983.db2.gz UUWGQCQNRTWGEL-OCCSQVGLSA-N 1 2 302.334 2.593 20 5 DFBDLO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)on1 ZINC000051500821 398823181 /nfs/dbraw/zinc/82/31/81/398823181.db2.gz BSDHUWZJTSXWCW-UHFFFAOYSA-N 1 2 316.361 2.522 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598465747 398817928 /nfs/dbraw/zinc/81/79/28/398817928.db2.gz TVFXTCVOVMQOGP-LBPRGKRZSA-N 1 2 316.361 2.745 20 5 DFBDLO Cc1cc(C(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)ccc1[N+](=O)[O-] ZINC000276712924 213060745 /nfs/dbraw/zinc/06/07/45/213060745.db2.gz ZQZAUZMTORYKGJ-CYBMUJFWSA-N 1 2 302.334 2.753 20 5 DFBDLO O=[N+]([O-])c1ccc(NCc2cn3cc(Cl)ccc3[nH+]2)cn1 ZINC000076581447 398862119 /nfs/dbraw/zinc/86/21/19/398862119.db2.gz DNFGCQPVZBKTGI-UHFFFAOYSA-N 1 2 303.709 2.903 20 5 DFBDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000135615826 398871889 /nfs/dbraw/zinc/87/18/89/398871889.db2.gz PZFJEUASDUXXDH-GFCCVEGCSA-N 1 2 306.391 2.899 20 5 DFBDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000135615826 398871891 /nfs/dbraw/zinc/87/18/91/398871891.db2.gz PZFJEUASDUXXDH-GFCCVEGCSA-N 1 2 306.391 2.899 20 5 DFBDLO CCC(C)(C)NC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153313647 283362298 /nfs/dbraw/zinc/36/22/98/283362298.db2.gz YLYVPUAXWMJQBY-UHFFFAOYSA-N 1 2 319.405 2.864 20 5 DFBDLO CCC(C)(C)NC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153313647 283362300 /nfs/dbraw/zinc/36/23/00/283362300.db2.gz YLYVPUAXWMJQBY-UHFFFAOYSA-N 1 2 319.405 2.864 20 5 DFBDLO CC(C)CCNC(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153338304 283363689 /nfs/dbraw/zinc/36/36/89/283363689.db2.gz UJDFINQTHOUAJB-CYBMUJFWSA-N 1 2 319.405 2.504 20 5 DFBDLO CC(C)CCNC(=O)[C@@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153338304 283363690 /nfs/dbraw/zinc/36/36/90/283363690.db2.gz UJDFINQTHOUAJB-CYBMUJFWSA-N 1 2 319.405 2.504 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cccnc1OC ZINC000595005553 398890115 /nfs/dbraw/zinc/89/01/15/398890115.db2.gz AJFOAJXFXDPNOM-NSHDSACASA-N 1 2 317.345 2.858 20 5 DFBDLO Cc1cc(N2CCCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000141064652 398893236 /nfs/dbraw/zinc/89/32/36/398893236.db2.gz BKRCGFOGBCSYSH-UHFFFAOYSA-N 1 2 314.345 2.587 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cc(C)ncn1 ZINC000595035503 398895971 /nfs/dbraw/zinc/89/59/71/398895971.db2.gz KLQUHTBKEVUCEQ-NSHDSACASA-N 1 2 302.334 2.553 20 5 DFBDLO CCc1ccc([C@H]([NH2+]C/C=C/CO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000595068550 398902093 /nfs/dbraw/zinc/90/20/93/398902093.db2.gz IVYSGVLEVKZJGR-REMYHPOOSA-N 1 2 316.357 2.978 20 5 DFBDLO COc1ccnc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1F ZINC000595080329 398902505 /nfs/dbraw/zinc/90/25/05/398902505.db2.gz KEBDRRHCDVUXFC-LBPRGKRZSA-N 1 2 317.320 2.915 20 5 DFBDLO CC1(C)CCC[C@@](CO)([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000598994726 398905042 /nfs/dbraw/zinc/90/50/42/398905042.db2.gz HYBUHQPMWWJFDH-MRXNPFEDSA-N 1 2 308.378 2.721 20 5 DFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2nccs2)CC1 ZINC000054635337 398905915 /nfs/dbraw/zinc/90/59/15/398905915.db2.gz QJGDTGJXUWVDRK-LBPRGKRZSA-N 1 2 318.402 2.935 20 5 DFBDLO Cc1noc(CCCNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])n1 ZINC000599041359 398911376 /nfs/dbraw/zinc/91/13/76/398911376.db2.gz RZBQGLSFMZSWCE-UHFFFAOYSA-N 1 2 313.317 2.879 20 5 DFBDLO O=[N+]([O-])c1c(NCCOC[C@@H]2CCOC2)ccc2c[nH+]ccc21 ZINC000599045961 398912569 /nfs/dbraw/zinc/91/25/69/398912569.db2.gz UONMMJDUWWYWNL-GFCCVEGCSA-N 1 2 317.345 2.608 20 5 DFBDLO NC(=O)[C@@H]1CCC[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599047464 398912578 /nfs/dbraw/zinc/91/25/78/398912578.db2.gz XZZMWCZHVOSBCG-PWSUYJOCSA-N 1 2 314.345 2.599 20 5 DFBDLO O=[N+]([O-])c1c(NCCCO[C@@H]2CCOC2)ccc2c[nH+]ccc21 ZINC000599063459 398915606 /nfs/dbraw/zinc/91/56/06/398915606.db2.gz ZGCSPXPQEOEMMC-CYBMUJFWSA-N 1 2 317.345 2.751 20 5 DFBDLO CCO[C@@H]1C[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])[C@@H]1OC ZINC000599065884 398915630 /nfs/dbraw/zinc/91/56/30/398915630.db2.gz LRSKILAEIKITDL-FMKPAKJESA-N 1 2 317.345 2.747 20 5 DFBDLO CC(=O)c1[nH]c(CC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])nc1C ZINC000595286741 398916083 /nfs/dbraw/zinc/91/60/83/398916083.db2.gz GVHFUMYLGJCJSY-UHFFFAOYSA-N 1 2 316.361 2.503 20 5 DFBDLO CC(=O)c1[nH]c(CC[N@H+](C)Cc2ccccc2[N+](=O)[O-])nc1C ZINC000595286741 398916085 /nfs/dbraw/zinc/91/60/85/398916085.db2.gz GVHFUMYLGJCJSY-UHFFFAOYSA-N 1 2 316.361 2.503 20 5 DFBDLO C[S@@](=O)C1(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCC1 ZINC000599075367 398918277 /nfs/dbraw/zinc/91/82/77/398918277.db2.gz VTGFDESHNOZPTN-JOCHJYFZSA-N 1 2 319.386 2.856 20 5 DFBDLO Cc1cc([N+](=O)[O-])cnc1N(C)CCc1[nH]c2ccccc2[nH+]1 ZINC000599089788 398919270 /nfs/dbraw/zinc/91/92/70/398919270.db2.gz ADLSOLCBDAFKJS-UHFFFAOYSA-N 1 2 311.345 2.853 20 5 DFBDLO C[C@@H]1C[C@@H](CO)CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599090509 398919669 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CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000595388207 398930778 /nfs/dbraw/zinc/93/07/78/398930778.db2.gz HQAANEXNDZIMAO-BMFZPTHFSA-N 1 2 324.352 2.502 20 5 DFBDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000595388207 398930782 /nfs/dbraw/zinc/93/07/82/398930782.db2.gz HQAANEXNDZIMAO-BMFZPTHFSA-N 1 2 324.352 2.502 20 5 DFBDLO C[N@@H+]1CCOC[C@H]1CNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000599160883 398931669 /nfs/dbraw/zinc/93/16/69/398931669.db2.gz KRJYFEOJKRKKRK-CYBMUJFWSA-N 1 2 323.393 2.515 20 5 DFBDLO C[N@H+]1CCOC[C@H]1CNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000599160883 398931670 /nfs/dbraw/zinc/93/16/70/398931670.db2.gz KRJYFEOJKRKKRK-CYBMUJFWSA-N 1 2 323.393 2.515 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3C[C@@H]4CCC[C@]4(CO)C3)c2c1 ZINC000599174057 398934237 /nfs/dbraw/zinc/93/42/37/398934237.db2.gz NRTGYPQQUOXKMJ-SUMWQHHRSA-N 1 2 313.357 2.742 20 5 DFBDLO Cc1csc([C@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])C2CC2)n1 ZINC000595425498 398935860 /nfs/dbraw/zinc/93/58/60/398935860.db2.gz SNZQZFMBDZOXBH-LLVKDONJSA-N 1 2 308.363 2.897 20 5 DFBDLO Cc1noc(C[N@@H+]2C[C@@H](C)C[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000595438691 398938365 /nfs/dbraw/zinc/93/83/65/398938365.db2.gz RZYRSALZWLMZCO-GWCFXTLKSA-N 1 2 302.334 2.869 20 5 DFBDLO Cc1noc(C[N@H+]2C[C@@H](C)C[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000595438691 398938367 /nfs/dbraw/zinc/93/83/67/398938367.db2.gz RZYRSALZWLMZCO-GWCFXTLKSA-N 1 2 302.334 2.869 20 5 DFBDLO COCc1ccc([C@H]2CCC[N@@H+]2Cc2onc(C)c2[N+](=O)[O-])o1 ZINC000595443828 398939800 /nfs/dbraw/zinc/93/98/00/398939800.db2.gz ZEEHRQNVSCATGL-GFCCVEGCSA-N 1 2 321.333 2.968 20 5 DFBDLO COCc1ccc([C@H]2CCC[N@H+]2Cc2onc(C)c2[N+](=O)[O-])o1 ZINC000595443828 398939804 /nfs/dbraw/zinc/93/98/04/398939804.db2.gz ZEEHRQNVSCATGL-GFCCVEGCSA-N 1 2 321.333 2.968 20 5 DFBDLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000595469788 398945046 /nfs/dbraw/zinc/94/50/46/398945046.db2.gz YLVZQBKBMRFAIH-GFCCVEGCSA-N 1 2 324.352 2.504 20 5 DFBDLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000595469788 398945052 /nfs/dbraw/zinc/94/50/52/398945052.db2.gz YLVZQBKBMRFAIH-GFCCVEGCSA-N 1 2 324.352 2.504 20 5 DFBDLO CC[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000595467705 398945129 /nfs/dbraw/zinc/94/51/29/398945129.db2.gz UCUQYEKZYDXJHB-GOEBONIOSA-N 1 2 324.352 2.504 20 5 DFBDLO CC[C@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000595467705 398945132 /nfs/dbraw/zinc/94/51/32/398945132.db2.gz UCUQYEKZYDXJHB-GOEBONIOSA-N 1 2 324.352 2.504 20 5 DFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(CC(F)(F)F)CC1 ZINC000078269286 398945517 /nfs/dbraw/zinc/94/55/17/398945517.db2.gz ZHDQGUHSLIOKBA-NSHDSACASA-N 1 2 317.311 2.836 20 5 DFBDLO CCc1nnc([C@@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])[nH]1 ZINC000595482901 398947912 /nfs/dbraw/zinc/94/79/12/398947912.db2.gz CWYHSSCTHFACPG-LLVKDONJSA-N 1 2 303.366 2.511 20 5 DFBDLO CCc1nnc([C@@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])[nH]1 ZINC000595482901 398947915 /nfs/dbraw/zinc/94/79/15/398947915.db2.gz CWYHSSCTHFACPG-LLVKDONJSA-N 1 2 303.366 2.511 20 5 DFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H](C)c2cscn2)c1 ZINC000595665680 399026634 /nfs/dbraw/zinc/02/66/34/399026634.db2.gz IDYARKVEOCWOBR-SECBINFHSA-N 1 2 321.358 2.689 20 5 DFBDLO CCOC[C@@H]1C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000599620956 399030671 /nfs/dbraw/zinc/03/06/71/399030671.db2.gz XBPRGFKWTIZSLX-HIFRSBDPSA-N 1 2 308.378 2.702 20 5 DFBDLO CCOC[C@@H]1C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000599620956 399030677 /nfs/dbraw/zinc/03/06/77/399030677.db2.gz XBPRGFKWTIZSLX-HIFRSBDPSA-N 1 2 308.378 2.702 20 5 DFBDLO C[NH+](C)[C@H](c1nc(CCC(C)(C)[N+](=O)[O-])no1)c1ccccc1 ZINC000291040129 283998990 /nfs/dbraw/zinc/99/89/90/283998990.db2.gz GJGCMUVDVAXYKB-AWEZNQCLSA-N 1 2 318.377 2.709 20 5 DFBDLO O=C(C[N@@H+]1CC[C@@H]2C[C@@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595810671 399094812 /nfs/dbraw/zinc/09/48/12/399094812.db2.gz MNDLKALSXUXSNY-NXEZZACHSA-N 1 2 309.753 2.529 20 5 DFBDLO O=C(C[N@H+]1CC[C@@H]2C[C@@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595810671 399094813 /nfs/dbraw/zinc/09/48/13/399094813.db2.gz MNDLKALSXUXSNY-NXEZZACHSA-N 1 2 309.753 2.529 20 5 DFBDLO Cc1nnc(C[N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000595885352 399123094 /nfs/dbraw/zinc/12/30/94/399123094.db2.gz NDPBMWPOAQCVJY-UHFFFAOYSA-N 1 2 322.390 2.656 20 5 DFBDLO Cc1nnc(C[N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000595885352 399123096 /nfs/dbraw/zinc/12/30/96/399123096.db2.gz NDPBMWPOAQCVJY-UHFFFAOYSA-N 1 2 322.390 2.656 20 5 DFBDLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000361138744 284173327 /nfs/dbraw/zinc/17/33/27/284173327.db2.gz CWFQSFBQFPGKJZ-UQXCZLMFSA-N 1 2 318.373 2.882 20 5 DFBDLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000361138744 284173339 /nfs/dbraw/zinc/17/33/39/284173339.db2.gz CWFQSFBQFPGKJZ-UQXCZLMFSA-N 1 2 318.373 2.882 20 5 DFBDLO C[C@@H](NC(=O)Cc1cn2ccccc2[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000341779569 284278093 /nfs/dbraw/zinc/27/80/93/284278093.db2.gz MLPZLLITAVPVEA-GFCCVEGCSA-N 1 2 324.340 2.662 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCc3ccccc3[C@@H]2CO)cc1F ZINC000283011593 217386446 /nfs/dbraw/zinc/38/64/46/217386446.db2.gz GHKWYAGYNAPTPK-KRWDZBQOSA-N 1 2 316.332 2.826 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCc3ccccc3[C@@H]2CO)cc1F ZINC000283011593 217386448 /nfs/dbraw/zinc/38/64/48/217386448.db2.gz GHKWYAGYNAPTPK-KRWDZBQOSA-N 1 2 316.332 2.826 20 5 DFBDLO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000371443320 296210162 /nfs/dbraw/zinc/21/01/62/296210162.db2.gz PJRDUZJYLCROBW-NSHDSACASA-N 1 2 320.736 2.949 20 5 DFBDLO C[C@@](CO)([NH2+]Cc1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000601148440 399241193 /nfs/dbraw/zinc/24/11/93/399241193.db2.gz BTOQLOZXKHMWKW-INIZCTEOSA-N 1 2 322.311 2.870 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000421568837 296266484 /nfs/dbraw/zinc/26/64/84/296266484.db2.gz IVUYYXHYHVWHOF-UHFFFAOYSA-N 1 2 314.345 2.997 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC(C)(C)OCC1(C)C ZINC000619531599 399358535 /nfs/dbraw/zinc/35/85/35/399358535.db2.gz MDLJJGCEUUVCRF-UHFFFAOYSA-N 1 2 308.378 2.993 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC(C)(C)OCC1(C)C ZINC000619531599 399358536 /nfs/dbraw/zinc/35/85/36/399358536.db2.gz MDLJJGCEUUVCRF-UHFFFAOYSA-N 1 2 308.378 2.993 20 5 DFBDLO O=C(C[N@@H+]1C[C@@H]2CCC[C@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610585194 399383866 /nfs/dbraw/zinc/38/38/66/399383866.db2.gz FKSTWTBHFOXQHA-JOYOIKCWSA-N 1 2 309.753 2.671 20 5 DFBDLO O=C(C[N@H+]1C[C@@H]2CCC[C@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610585194 399383869 /nfs/dbraw/zinc/38/38/69/399383869.db2.gz FKSTWTBHFOXQHA-JOYOIKCWSA-N 1 2 309.753 2.671 20 5 DFBDLO CCCn1c(C)nnc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285246640 218349611 /nfs/dbraw/zinc/34/96/11/218349611.db2.gz GYXDJHJMHAYERD-UHFFFAOYSA-N 1 2 317.393 2.579 20 5 DFBDLO CCCn1c(C)nnc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285246640 218349614 /nfs/dbraw/zinc/34/96/14/218349614.db2.gz GYXDJHJMHAYERD-UHFFFAOYSA-N 1 2 317.393 2.579 20 5 DFBDLO COc1ncccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963439 183765508 /nfs/dbraw/zinc/76/55/08/183765508.db2.gz OSWCUXFFFQQBPZ-UHFFFAOYSA-N 1 2 307.737 2.942 20 5 DFBDLO CC(C)C[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC000602083463 399392949 /nfs/dbraw/zinc/39/29/49/399392949.db2.gz AMGOTNUEMJSHEU-HNNXBMFYSA-N 1 2 316.361 2.695 20 5 DFBDLO O=[N+]([O-])c1ccc(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)s1 ZINC000610785240 399406017 /nfs/dbraw/zinc/40/60/17/399406017.db2.gz ASMHHZIWHNPPFJ-RYUDHWBXSA-N 1 2 311.407 2.712 20 5 DFBDLO COCCc1ncc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000602439696 399444720 /nfs/dbraw/zinc/44/47/20/399444720.db2.gz LDZFSRWNPXNZKG-UHFFFAOYSA-N 1 2 321.402 2.872 20 5 DFBDLO COCCc1ncc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000602439696 399444722 /nfs/dbraw/zinc/44/47/22/399444722.db2.gz LDZFSRWNPXNZKG-UHFFFAOYSA-N 1 2 321.402 2.872 20 5 DFBDLO COC(=O)c1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])[nH]c1C ZINC000602441294 399445466 /nfs/dbraw/zinc/44/54/66/399445466.db2.gz WUTILVKYNSUOSU-UHFFFAOYSA-N 1 2 317.345 2.650 20 5 DFBDLO COC(=O)c1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])[nH]c1C ZINC000602441294 399445469 /nfs/dbraw/zinc/44/54/69/399445469.db2.gz WUTILVKYNSUOSU-UHFFFAOYSA-N 1 2 317.345 2.650 20 5 DFBDLO CCOC(=O)c1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC000611437802 399476247 /nfs/dbraw/zinc/47/62/47/399476247.db2.gz KWCISVDHSCDLJL-UHFFFAOYSA-N 1 2 304.302 2.654 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])c(NCc2cn3c([nH+]2)CCCC3)n1 ZINC000611616076 399498838 /nfs/dbraw/zinc/49/88/38/399498838.db2.gz OFHVELDDUYCOII-UHFFFAOYSA-N 1 2 301.350 2.752 20 5 DFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@](F)(CO)C1 ZINC000602654210 399503874 /nfs/dbraw/zinc/50/38/74/399503874.db2.gz QMTSILUFIZZIOZ-LBPRGKRZSA-N 1 2 322.258 2.520 20 5 DFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000602654210 399503878 /nfs/dbraw/zinc/50/38/78/399503878.db2.gz QMTSILUFIZZIOZ-LBPRGKRZSA-N 1 2 322.258 2.520 20 5 DFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@](F)(CO)C1 ZINC000602654209 399503745 /nfs/dbraw/zinc/50/37/45/399503745.db2.gz QMTSILUFIZZIOZ-GFCCVEGCSA-N 1 2 322.258 2.520 20 5 DFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@](F)(CO)C1 ZINC000602654209 399503746 /nfs/dbraw/zinc/50/37/46/399503746.db2.gz QMTSILUFIZZIOZ-GFCCVEGCSA-N 1 2 322.258 2.520 20 5 DFBDLO C[C@@]1(F)CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000347383146 285022705 /nfs/dbraw/zinc/02/27/05/285022705.db2.gz OBJVEDACYXWQNY-CQSZACIVSA-N 1 2 306.297 2.579 20 5 DFBDLO C[C@@]1(F)CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000347383146 285022706 /nfs/dbraw/zinc/02/27/06/285022706.db2.gz OBJVEDACYXWQNY-CQSZACIVSA-N 1 2 306.297 2.579 20 5 DFBDLO C[C@]1(F)CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000347384399 285023407 /nfs/dbraw/zinc/02/34/07/285023407.db2.gz OWFBPXWDCRXZRA-AWEZNQCLSA-N 1 2 306.297 2.579 20 5 DFBDLO C[C@]1(F)CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000347384399 285023408 /nfs/dbraw/zinc/02/34/08/285023408.db2.gz OWFBPXWDCRXZRA-AWEZNQCLSA-N 1 2 306.297 2.579 20 5 DFBDLO COc1cc(N[C@H]2CCN(c3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000269897777 207948355 /nfs/dbraw/zinc/94/83/55/207948355.db2.gz XYRRGJOVWUQEMO-ZDUSSCGKSA-N 1 2 314.345 2.689 20 5 DFBDLO C[C@@H]1C[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)c2[nH+]ccn21 ZINC000602684437 399519205 /nfs/dbraw/zinc/51/92/05/399519205.db2.gz YEJHTSIPUKIKHW-SKDRFNHKSA-N 1 2 313.317 2.728 20 5 DFBDLO CC1=CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000270145365 208205867 /nfs/dbraw/zinc/20/58/67/208205867.db2.gz RMMWQHVHILYIDT-UHFFFAOYSA-N 1 2 312.329 2.573 20 5 DFBDLO O=C(Cc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120199186 195116584 /nfs/dbraw/zinc/11/65/84/195116584.db2.gz UWUPCWLWMOCVEH-AWEZNQCLSA-N 1 2 314.345 2.614 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000193759724 285113513 /nfs/dbraw/zinc/11/35/13/285113513.db2.gz IJUMKYGBUOTLRS-ZFWWWQNUSA-N 1 2 321.333 2.646 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000193759724 285113515 /nfs/dbraw/zinc/11/35/15/285113515.db2.gz IJUMKYGBUOTLRS-ZFWWWQNUSA-N 1 2 321.333 2.646 20 5 DFBDLO O=[N+]([O-])c1ccc(N2CCn3c[nH+]cc3C2)cc1C(F)(F)F ZINC000290578404 285132588 /nfs/dbraw/zinc/13/25/88/285132588.db2.gz BSZOEVCFSHPPOA-UHFFFAOYSA-N 1 2 312.251 2.830 20 5 DFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000602770606 399564820 /nfs/dbraw/zinc/56/48/20/399564820.db2.gz VJOUKHOVAHYMGB-LBPRGKRZSA-N 1 2 321.406 2.783 20 5 DFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@H]1c1nccs1 ZINC000602770606 399564822 /nfs/dbraw/zinc/56/48/22/399564822.db2.gz VJOUKHOVAHYMGB-LBPRGKRZSA-N 1 2 321.406 2.783 20 5 DFBDLO COC[C@H]1CCN1c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000293105851 533154451 /nfs/dbraw/zinc/15/44/51/533154451.db2.gz PGRONXKLMMKVKQ-CQSZACIVSA-N 1 2 314.345 2.585 20 5 DFBDLO CC[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1[nH]cc[nH+]1 ZINC000347964428 285272896 /nfs/dbraw/zinc/27/28/96/285272896.db2.gz PFOVBUUPEKQERU-GFCCVEGCSA-N 1 2 313.317 2.680 20 5 DFBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCCn1cc[nH+]c1 ZINC000289646174 221125615 /nfs/dbraw/zinc/12/56/15/221125615.db2.gz DCJCRWPKNUPZNU-UHFFFAOYSA-N 1 2 317.349 2.566 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(C)(F)CC1 ZINC000602992761 399652895 /nfs/dbraw/zinc/65/28/95/399652895.db2.gz FLWHGQVLENJJKM-UHFFFAOYSA-N 1 2 309.341 2.666 20 5 DFBDLO Cn1c(C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)ccc1[N+](=O)[O-] ZINC000612593510 399684650 /nfs/dbraw/zinc/68/46/50/399684650.db2.gz JOPJKNOUOMTSAO-UHFFFAOYSA-N 1 2 311.301 2.576 20 5 DFBDLO Cc1cc(N2CCOC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000295012195 224378621 /nfs/dbraw/zinc/37/86/21/224378621.db2.gz SRNKYRSFEXSEPM-LBPRGKRZSA-N 1 2 314.345 2.585 20 5 DFBDLO [NH3+][C@H]1CCCCCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000423719568 296441588 /nfs/dbraw/zinc/44/15/88/296441588.db2.gz CKEGTMDXGIBVIM-NEPJUHHUSA-N 1 2 307.350 2.537 20 5 DFBDLO COc1ccc(C[N@@H+]2CCCC[C@]2(C)C(N)=O)cc1[N+](=O)[O-] ZINC000330814804 533555240 /nfs/dbraw/zinc/55/52/40/533555240.db2.gz BWOXTUFIFMQCBO-OAHLLOKOSA-N 1 2 307.350 2.883 20 5 DFBDLO COc1ccc(C[N@H+]2CCCC[C@]2(C)C(N)=O)cc1[N+](=O)[O-] ZINC000330814804 533555244 /nfs/dbraw/zinc/55/52/44/533555244.db2.gz BWOXTUFIFMQCBO-OAHLLOKOSA-N 1 2 307.350 2.883 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000366641392 131182236 /nfs/dbraw/zinc/18/22/36/131182236.db2.gz UUMVSJSQYAYZSR-UHFFFAOYSA-N 1 2 306.362 2.748 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC2(CCCC2)C1 ZINC000366641392 131182237 /nfs/dbraw/zinc/18/22/37/131182237.db2.gz UUMVSJSQYAYZSR-UHFFFAOYSA-N 1 2 306.362 2.748 20 5 DFBDLO Cn1ccnc1[C@H]([NH2+][C@H]1CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000353616930 146688915 /nfs/dbraw/zinc/68/89/15/146688915.db2.gz BZSIJCLVNQFBAU-UONOGXRCSA-N 1 2 300.362 2.806 20 5 DFBDLO CC[N@H+](CCC(F)(F)F)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000604525172 399852383 /nfs/dbraw/zinc/85/23/83/399852383.db2.gz IDMDTGVXIKZEFU-UHFFFAOYSA-N 1 2 319.283 2.808 20 5 DFBDLO CC[N@@H+](CCC(F)(F)F)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000604525172 399852387 /nfs/dbraw/zinc/85/23/87/399852387.db2.gz IDMDTGVXIKZEFU-UHFFFAOYSA-N 1 2 319.283 2.808 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)O[C@@H](CC)C1 ZINC000245462583 146075305 /nfs/dbraw/zinc/07/53/05/146075305.db2.gz GODPFAJNVLYEDD-DOMZBBRYSA-N 1 2 308.378 2.993 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)O[C@@H](CC)C1 ZINC000245462583 146075307 /nfs/dbraw/zinc/07/53/07/146075307.db2.gz GODPFAJNVLYEDD-DOMZBBRYSA-N 1 2 308.378 2.993 20 5 DFBDLO COC(=O)[C@H]1CCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000254967374 146230579 /nfs/dbraw/zinc/23/05/79/146230579.db2.gz MYXDZCDZNXROCP-DDJMYBDESA-N 1 2 304.346 2.636 20 5 DFBDLO COC(=O)[C@H]1CCCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000254967374 146230582 /nfs/dbraw/zinc/23/05/82/146230582.db2.gz MYXDZCDZNXROCP-DDJMYBDESA-N 1 2 304.346 2.636 20 5 DFBDLO COCc1cc([N+](=O)[O-])ccc1NCc1ccc[nH+]c1N(C)C ZINC000357682174 148082951 /nfs/dbraw/zinc/08/29/51/148082951.db2.gz CLPPEUCTHUOKPZ-UHFFFAOYSA-N 1 2 316.361 2.814 20 5 DFBDLO CCOC(=O)C[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)(C)C ZINC000350616900 286062501 /nfs/dbraw/zinc/06/25/01/286062501.db2.gz XOHQFZNFNOOVQJ-UHFFFAOYSA-N 1 2 324.377 2.767 20 5 DFBDLO CCOC(=O)C[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)(C)C ZINC000350616900 286062503 /nfs/dbraw/zinc/06/25/03/286062503.db2.gz XOHQFZNFNOOVQJ-UHFFFAOYSA-N 1 2 324.377 2.767 20 5 DFBDLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000361193697 149051534 /nfs/dbraw/zinc/05/15/34/149051534.db2.gz IQRWAILLZLOASI-NSHDSACASA-N 1 2 318.329 2.848 20 5 DFBDLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000361193697 149051535 /nfs/dbraw/zinc/05/15/35/149051535.db2.gz IQRWAILLZLOASI-NSHDSACASA-N 1 2 318.329 2.848 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000361525005 149139736 /nfs/dbraw/zinc/13/97/36/149139736.db2.gz MJWJCBOMTQMTNU-WBMJQRKESA-N 1 2 324.352 2.504 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000361525005 149139738 /nfs/dbraw/zinc/13/97/38/149139738.db2.gz MJWJCBOMTQMTNU-WBMJQRKESA-N 1 2 324.352 2.504 20 5 DFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H](C)S(=O)[C@@H](C)C1 ZINC000361659255 149184301 /nfs/dbraw/zinc/18/43/01/149184301.db2.gz ZKGLWDMDIPCULI-NCARYDMQSA-N 1 2 322.430 2.839 20 5 DFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H](C)S(=O)[C@@H](C)C1 ZINC000361659255 149184303 /nfs/dbraw/zinc/18/43/03/149184303.db2.gz ZKGLWDMDIPCULI-NCARYDMQSA-N 1 2 322.430 2.839 20 5 DFBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3ccc(Cl)nc3)C2)c1 ZINC000372328795 150164461 /nfs/dbraw/zinc/16/44/61/150164461.db2.gz CZKBMZZFXPCTGL-LBPRGKRZSA-N 1 2 321.768 2.677 20 5 DFBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3ccc(Cl)nc3)C2)c1 ZINC000372328795 150164464 /nfs/dbraw/zinc/16/44/64/150164464.db2.gz CZKBMZZFXPCTGL-LBPRGKRZSA-N 1 2 321.768 2.677 20 5 DFBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3cccnc3Cl)C2)c1 ZINC000372360571 150167193 /nfs/dbraw/zinc/16/71/93/150167193.db2.gz XHDRYBYVTWYHQI-LBPRGKRZSA-N 1 2 321.768 2.677 20 5 DFBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3cccnc3Cl)C2)c1 ZINC000372360571 150167197 /nfs/dbraw/zinc/16/71/97/150167197.db2.gz XHDRYBYVTWYHQI-LBPRGKRZSA-N 1 2 321.768 2.677 20 5 DFBDLO O=[N+]([O-])c1ccc2[nH]c(=[NH+]CCCOC3CCCC3)[nH]c2c1 ZINC000427985739 296674311 /nfs/dbraw/zinc/67/43/11/296674311.db2.gz SXOILRSDPCDORZ-UHFFFAOYSA-N 1 2 304.350 2.654 20 5 DFBDLO Cc1ccnc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000352327909 286344829 /nfs/dbraw/zinc/34/48/29/286344829.db2.gz FCLUTHZZOYSKGB-UHFFFAOYSA-N 1 2 312.373 2.620 20 5 DFBDLO Cn1cnnc1C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352566185 286408473 /nfs/dbraw/zinc/40/84/73/286408473.db2.gz CNVOVRMWOGHRRV-QGZVFWFLSA-N 1 2 323.356 2.603 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H](Oc2ccccn2)C1 ZINC000357016021 158348281 /nfs/dbraw/zinc/34/82/81/158348281.db2.gz PRPVZMNSDVOAFI-GFCCVEGCSA-N 1 2 317.320 2.782 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H](Oc2ccccn2)C1 ZINC000357016021 158348284 /nfs/dbraw/zinc/34/82/84/158348284.db2.gz PRPVZMNSDVOAFI-GFCCVEGCSA-N 1 2 317.320 2.782 20 5 DFBDLO CC[C@@H]([NH2+]Cc1nnnn1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000362185740 158499539 /nfs/dbraw/zinc/49/95/39/158499539.db2.gz YJNWDTLIGRULOX-CYBMUJFWSA-N 1 2 318.381 2.577 20 5 DFBDLO C[C@@H]1C[C@@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000493691090 299810552 /nfs/dbraw/zinc/81/05/52/299810552.db2.gz SDAOSRYJHOIZSD-QRWLWRBWSA-N 1 2 312.329 2.627 20 5 DFBDLO C[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ncn(C)n1 ZINC000279086511 287055522 /nfs/dbraw/zinc/05/55/22/287055522.db2.gz NBMSLOXANSVDIU-QMTHXVAHSA-N 1 2 315.377 2.797 20 5 DFBDLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000046598975 425865595 /nfs/dbraw/zinc/86/55/95/425865595.db2.gz HRSANANHZTYREY-OKILXGFUSA-N 1 2 319.405 2.531 20 5 DFBDLO C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000046598975 425865596 /nfs/dbraw/zinc/86/55/96/425865596.db2.gz HRSANANHZTYREY-OKILXGFUSA-N 1 2 319.405 2.531 20 5 DFBDLO CCCCCNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599437 425865656 /nfs/dbraw/zinc/86/56/56/425865656.db2.gz DQSKCBXATGOGED-ZDUSSCGKSA-N 1 2 307.394 2.722 20 5 DFBDLO CCCCCNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599437 425865657 /nfs/dbraw/zinc/86/56/57/425865657.db2.gz DQSKCBXATGOGED-ZDUSSCGKSA-N 1 2 307.394 2.722 20 5 DFBDLO CC[C@@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599044 425865679 /nfs/dbraw/zinc/86/56/79/425865679.db2.gz NUEQVFJTKAMUPH-OAHLLOKOSA-N 1 2 319.405 2.818 20 5 DFBDLO CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599044 425865680 /nfs/dbraw/zinc/86/56/80/425865680.db2.gz NUEQVFJTKAMUPH-OAHLLOKOSA-N 1 2 319.405 2.818 20 5 DFBDLO CC[C@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000318235778 268345554 /nfs/dbraw/zinc/34/55/54/268345554.db2.gz AINOCAQDQIUMTG-MFKMUULPSA-N 1 2 302.334 2.689 20 5 DFBDLO CC(C)c1ccc(C[N@@H+]2CCCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000162050069 426050941 /nfs/dbraw/zinc/05/09/41/426050941.db2.gz YJOKVCNHQMXFOR-CQSZACIVSA-N 1 2 305.378 2.558 20 5 DFBDLO CC(C)c1ccc(C[N@H+]2CCCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000162050069 426050943 /nfs/dbraw/zinc/05/09/43/426050943.db2.gz YJOKVCNHQMXFOR-CQSZACIVSA-N 1 2 305.378 2.558 20 5 DFBDLO Cc1c(CC(=O)Nc2ccc[nH+]c2N(C)C)cccc1[N+](=O)[O-] ZINC000162522413 426067128 /nfs/dbraw/zinc/06/71/28/426067128.db2.gz PYNQQFPLFFJQAW-UHFFFAOYSA-N 1 2 314.345 2.545 20 5 DFBDLO C[C@@H](c1ccccn1)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000128128792 426103912 /nfs/dbraw/zinc/10/39/12/426103912.db2.gz GAHWOFQXJMYTRP-LBPRGKRZSA-N 1 2 314.345 2.621 20 5 DFBDLO C[C@@H](c1ccccn1)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000128128792 426103914 /nfs/dbraw/zinc/10/39/14/426103914.db2.gz GAHWOFQXJMYTRP-LBPRGKRZSA-N 1 2 314.345 2.621 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCCn2ncnc21 ZINC000164719193 426117125 /nfs/dbraw/zinc/11/71/25/426117125.db2.gz OHQWIOMBLDMXFQ-RISCZKNCSA-N 1 2 301.350 2.680 20 5 DFBDLO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000167718582 426133471 /nfs/dbraw/zinc/13/34/71/426133471.db2.gz RSHUBPAUEBDZEH-SMDDNHRTSA-N 1 2 315.377 2.934 20 5 DFBDLO Cc1cccc(C(=O)NCCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000115160628 426155981 /nfs/dbraw/zinc/15/59/81/426155981.db2.gz SQNODDDKGANZEP-UHFFFAOYSA-N 1 2 314.345 2.530 20 5 DFBDLO Cc1cc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000119571603 426298499 /nfs/dbraw/zinc/29/84/99/426298499.db2.gz NJFAWBHVHXDMPK-UHFFFAOYSA-N 1 2 300.318 2.662 20 5 DFBDLO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120150856 426306891 /nfs/dbraw/zinc/30/68/91/426306891.db2.gz ASDKOWFYOSOOPQ-CYBMUJFWSA-N 1 2 318.308 2.824 20 5 DFBDLO CC[C@H]1COCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089901965 426317504 /nfs/dbraw/zinc/31/75/04/426317504.db2.gz MFRJHIOXGFIYDB-AWEZNQCLSA-N 1 2 317.345 2.861 20 5 DFBDLO CC[C@H]1COCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089901965 426317506 /nfs/dbraw/zinc/31/75/06/426317506.db2.gz MFRJHIOXGFIYDB-AWEZNQCLSA-N 1 2 317.345 2.861 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)cs1 ZINC000152578134 426346491 /nfs/dbraw/zinc/34/64/91/426346491.db2.gz KIIVTDXURQRBFE-CYBMUJFWSA-N 1 2 305.359 2.705 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)cs1 ZINC000152578134 426346494 /nfs/dbraw/zinc/34/64/94/426346494.db2.gz KIIVTDXURQRBFE-CYBMUJFWSA-N 1 2 305.359 2.705 20 5 DFBDLO CC(C)[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)[NH+]1CCCCC1 ZINC000092546056 426349823 /nfs/dbraw/zinc/34/98/23/426349823.db2.gz ZDMVMJAQUDOIMO-HNNXBMFYSA-N 1 2 321.377 2.749 20 5 DFBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCCCC1 ZINC000153303910 426379751 /nfs/dbraw/zinc/37/97/51/426379751.db2.gz QZNLUNBJNAEUPQ-UHFFFAOYSA-N 1 2 317.389 2.572 20 5 DFBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCCCC1 ZINC000153303910 426379755 /nfs/dbraw/zinc/37/97/55/426379755.db2.gz QZNLUNBJNAEUPQ-UHFFFAOYSA-N 1 2 317.389 2.572 20 5 DFBDLO CCn1c(C)nc([N+](=O)[O-])c1NCc1cn2cc(C)ccc2[nH+]1 ZINC000288135739 426512073 /nfs/dbraw/zinc/51/20/73/426512073.db2.gz MXBQGEUJYGVFQU-UHFFFAOYSA-N 1 2 314.349 2.688 20 5 DFBDLO Cc1nc(C(C)(C)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])no1 ZINC000264372917 426544214 /nfs/dbraw/zinc/54/42/14/426544214.db2.gz IEOOFKHRQJRVSE-SOFGYWHQSA-N 1 2 302.334 2.824 20 5 DFBDLO CCC(=O)c1ccc(N(C)CCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000280798168 426658992 /nfs/dbraw/zinc/65/89/92/426658992.db2.gz VORJLGBBDUFTCA-UHFFFAOYSA-N 1 2 316.361 2.911 20 5 DFBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCC1(F)F ZINC000289875472 426675493 /nfs/dbraw/zinc/67/54/93/426675493.db2.gz RBRZXFZMQSNUIU-SECBINFHSA-N 1 2 315.276 2.980 20 5 DFBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCC1(F)F ZINC000289875472 426675495 /nfs/dbraw/zinc/67/54/95/426675495.db2.gz RBRZXFZMQSNUIU-SECBINFHSA-N 1 2 315.276 2.980 20 5 DFBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000281820872 426771779 /nfs/dbraw/zinc/77/17/79/426771779.db2.gz OCZMITBGSASTBV-GFCCVEGCSA-N 1 2 317.349 2.507 20 5 DFBDLO CCn1cc[nH+]c1[C@H]1CCCCN1c1ccc([N+](=O)[O-])cn1 ZINC000281905239 426789861 /nfs/dbraw/zinc/78/98/61/426789861.db2.gz FVTPPVUKGQSRDR-CYBMUJFWSA-N 1 2 301.350 2.938 20 5 DFBDLO COc1cccc(N2CC[NH+](Cc3ccco3)CC2)c1[N+](=O)[O-] ZINC000274577256 426795985 /nfs/dbraw/zinc/79/59/85/426795985.db2.gz GCHPRPSFGHKJGW-UHFFFAOYSA-N 1 2 317.345 2.519 20 5 DFBDLO CC1(C)C[N@H+](CCNc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000337620812 426884215 /nfs/dbraw/zinc/88/42/15/426884215.db2.gz AGAZCVBRAIHHJA-UHFFFAOYSA-N 1 2 313.785 2.771 20 5 DFBDLO CC1(C)C[N@@H+](CCNc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000337620812 426884220 /nfs/dbraw/zinc/88/42/20/426884220.db2.gz AGAZCVBRAIHHJA-UHFFFAOYSA-N 1 2 313.785 2.771 20 5 DFBDLO COc1ccc([N+](=O)[O-])c(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000268221675 426953116 /nfs/dbraw/zinc/95/31/16/426953116.db2.gz CSEANKIJWDUIPK-WBMJQRKESA-N 1 2 316.361 2.887 20 5 DFBDLO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283349486 426997859 /nfs/dbraw/zinc/99/78/59/426997859.db2.gz BGIXBDRTEWDCFV-CYBMUJFWSA-N 1 2 323.368 2.615 20 5 DFBDLO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283349486 426997864 /nfs/dbraw/zinc/99/78/64/426997864.db2.gz BGIXBDRTEWDCFV-CYBMUJFWSA-N 1 2 323.368 2.615 20 5 DFBDLO Cc1ccc(CS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000337891486 427023717 /nfs/dbraw/zinc/02/37/17/427023717.db2.gz IEUYEPCHTCMKHO-UHFFFAOYSA-N 1 2 306.343 2.581 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000277385429 427186628 /nfs/dbraw/zinc/18/66/28/427186628.db2.gz YLUDOLCCSUVQSV-OYMPBJRDSA-N 1 2 310.419 2.807 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000277385429 427186634 /nfs/dbraw/zinc/18/66/34/427186634.db2.gz YLUDOLCCSUVQSV-OYMPBJRDSA-N 1 2 310.419 2.807 20 5 DFBDLO CCCc1noc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000285435781 427229541 /nfs/dbraw/zinc/22/95/41/427229541.db2.gz XCZGQGRZNXORBO-UHFFFAOYSA-N 1 2 304.350 2.605 20 5 DFBDLO CCCc1noc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000285435781 427229546 /nfs/dbraw/zinc/22/95/46/427229546.db2.gz XCZGQGRZNXORBO-UHFFFAOYSA-N 1 2 304.350 2.605 20 5 DFBDLO CCc1cc(=O)[nH]c(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000296840429 427246638 /nfs/dbraw/zinc/24/66/38/427246638.db2.gz XDXKRXBKCFEGAX-JTQLQIEISA-N 1 2 302.334 2.504 20 5 DFBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCCn1cc[nH+]c1 ZINC000191328489 427322350 /nfs/dbraw/zinc/32/23/50/427322350.db2.gz PPVGOFDKTSUDRE-UHFFFAOYSA-N 1 2 317.349 2.620 20 5 DFBDLO COCc1cnc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000338954711 271625170 /nfs/dbraw/zinc/62/51/70/271625170.db2.gz KSXZJOJWMZESLF-UHFFFAOYSA-N 1 2 321.402 2.872 20 5 DFBDLO COCc1cnc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000338954711 271625173 /nfs/dbraw/zinc/62/51/73/271625173.db2.gz KSXZJOJWMZESLF-UHFFFAOYSA-N 1 2 321.402 2.872 20 5 DFBDLO O=[N+]([O-])c1ccc2[nH]c(N3CCCC[C@@H]3c3[nH]cc[nH+]3)nc2c1 ZINC000297600576 427415073 /nfs/dbraw/zinc/41/50/73/427415073.db2.gz UVZRNPXLFYPYJC-CYBMUJFWSA-N 1 2 312.333 2.926 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cs1 ZINC000277913271 427359407 /nfs/dbraw/zinc/35/94/07/427359407.db2.gz XMCAACJWYUMSGH-MWLCHTKSSA-N 1 2 324.324 2.792 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cs1 ZINC000277913271 427359413 /nfs/dbraw/zinc/35/94/13/427359413.db2.gz XMCAACJWYUMSGH-MWLCHTKSSA-N 1 2 324.324 2.792 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000271209720 427452401 /nfs/dbraw/zinc/45/24/01/427452401.db2.gz CVZQRUPAWYHQBK-GFCCVEGCSA-N 1 2 316.361 2.535 20 5 DFBDLO COC(=O)[C@@H](C)[N@H+](Cc1cccc([N+](=O)[O-])c1C)C1CCC1 ZINC000192381307 427532914 /nfs/dbraw/zinc/53/29/14/427532914.db2.gz KRTWAEGFSCPOMS-GFCCVEGCSA-N 1 2 306.362 2.819 20 5 DFBDLO COC(=O)[C@@H](C)[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C1CCC1 ZINC000192381307 427532922 /nfs/dbraw/zinc/53/29/22/427532922.db2.gz KRTWAEGFSCPOMS-GFCCVEGCSA-N 1 2 306.362 2.819 20 5 DFBDLO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[nH]1 ZINC000271526405 427573158 /nfs/dbraw/zinc/57/31/58/427573158.db2.gz PANUGPVPLQYXJA-GHMZBOCLSA-N 1 2 303.366 2.996 20 5 DFBDLO COCC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)Cc1ccccn1 ZINC000287405956 427602717 /nfs/dbraw/zinc/60/27/17/427602717.db2.gz OGAPBGRYPQTVCJ-UHFFFAOYSA-N 1 2 319.336 2.778 20 5 DFBDLO COCC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)Cc1ccccn1 ZINC000287405956 427602722 /nfs/dbraw/zinc/60/27/22/427602722.db2.gz OGAPBGRYPQTVCJ-UHFFFAOYSA-N 1 2 319.336 2.778 20 5 DFBDLO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000287424891 427606810 /nfs/dbraw/zinc/60/68/10/427606810.db2.gz PDAOOTJFZAJOIO-UHFFFAOYSA-N 1 2 301.346 2.638 20 5 DFBDLO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000287424891 427606817 /nfs/dbraw/zinc/60/68/17/427606817.db2.gz PDAOOTJFZAJOIO-UHFFFAOYSA-N 1 2 301.346 2.638 20 5 DFBDLO CCC1(CC)C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[S@]1=O ZINC000185284954 427626080 /nfs/dbraw/zinc/62/60/80/427626080.db2.gz BUGKCSSLRMXHEX-OAQYLSRUSA-N 1 2 310.419 2.718 20 5 DFBDLO CCC1(CC)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[S@]1=O ZINC000185284954 427626086 /nfs/dbraw/zinc/62/60/86/427626086.db2.gz BUGKCSSLRMXHEX-OAQYLSRUSA-N 1 2 310.419 2.718 20 5 DFBDLO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000279310528 427634868 /nfs/dbraw/zinc/63/48/68/427634868.db2.gz NAPVHGVUOURSMD-BDJLRTHQSA-N 1 2 306.362 2.603 20 5 DFBDLO COc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000279310528 427634872 /nfs/dbraw/zinc/63/48/72/427634872.db2.gz NAPVHGVUOURSMD-BDJLRTHQSA-N 1 2 306.362 2.603 20 5 DFBDLO CC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000339086051 427669959 /nfs/dbraw/zinc/66/99/59/427669959.db2.gz VNGHWDGNISPJEV-AWEZNQCLSA-N 1 2 318.377 2.892 20 5 DFBDLO CC(C)[C@H]1CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000343320394 272117484 /nfs/dbraw/zinc/11/74/84/272117484.db2.gz DEHWPXUHXPLZTR-CYBMUJFWSA-N 1 2 314.345 2.651 20 5 DFBDLO COC[C@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000343347413 272124043 /nfs/dbraw/zinc/12/40/43/272124043.db2.gz QEIASGFRQXYSGZ-DDJMYBDESA-N 1 2 320.389 2.734 20 5 DFBDLO COC[C@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000343347413 272124045 /nfs/dbraw/zinc/12/40/45/272124045.db2.gz QEIASGFRQXYSGZ-DDJMYBDESA-N 1 2 320.389 2.734 20 5 DFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000295046527 427672354 /nfs/dbraw/zinc/67/23/54/427672354.db2.gz AHEYJEMRPQEGKB-XHDPSFHLSA-N 1 2 309.341 2.746 20 5 DFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@](C)(F)C1 ZINC000295046527 427672362 /nfs/dbraw/zinc/67/23/62/427672362.db2.gz AHEYJEMRPQEGKB-XHDPSFHLSA-N 1 2 309.341 2.746 20 5 DFBDLO CC[C@@H](C)[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)OC ZINC000343604900 272182166 /nfs/dbraw/zinc/18/21/66/272182166.db2.gz ODLYXFMDYIOHJJ-BUUCAEBMSA-N 1 2 306.362 2.882 20 5 DFBDLO CC[C@@H](C)[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)OC ZINC000343604900 272182168 /nfs/dbraw/zinc/18/21/68/272182168.db2.gz ODLYXFMDYIOHJJ-BUUCAEBMSA-N 1 2 306.362 2.882 20 5 DFBDLO C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000344238801 272293800 /nfs/dbraw/zinc/29/38/00/272293800.db2.gz QBJBRUPCRMISPN-JTQLQIEISA-N 1 2 322.315 2.689 20 5 DFBDLO C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000344238801 272293802 /nfs/dbraw/zinc/29/38/02/272293802.db2.gz QBJBRUPCRMISPN-JTQLQIEISA-N 1 2 322.315 2.689 20 5 DFBDLO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339127203 427691096 /nfs/dbraw/zinc/69/10/96/427691096.db2.gz YCDVDFYPRYOBDR-LSDHHAIUSA-N 1 2 308.378 2.984 20 5 DFBDLO Cc1ccn(C2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)n1 ZINC000339134542 427695984 /nfs/dbraw/zinc/69/59/84/427695984.db2.gz FXYLKEAHIHKDHW-UHFFFAOYSA-N 1 2 316.361 2.642 20 5 DFBDLO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])nc1 ZINC000298851346 427719125 /nfs/dbraw/zinc/71/91/25/427719125.db2.gz IPCMTHSVFHLANK-NSHDSACASA-N 1 2 315.329 2.627 20 5 DFBDLO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339193397 427726395 /nfs/dbraw/zinc/72/63/95/427726395.db2.gz UNNKPELGRJCXQI-JSGCOSHPSA-N 1 2 308.378 2.816 20 5 DFBDLO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339193397 427726399 /nfs/dbraw/zinc/72/63/99/427726399.db2.gz UNNKPELGRJCXQI-JSGCOSHPSA-N 1 2 308.378 2.816 20 5 DFBDLO COc1cc(F)c([N+](=O)[O-])c(NCc2cc[nH+]c(N(C)C)c2)c1 ZINC000301346493 427790477 /nfs/dbraw/zinc/79/04/77/427790477.db2.gz KPMYLMAQEUQFPN-UHFFFAOYSA-N 1 2 320.324 2.816 20 5 DFBDLO CC(C)[C@]1(CO)CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339706942 427815621 /nfs/dbraw/zinc/81/56/21/427815621.db2.gz KWPXJARIHJPOLZ-MRXNPFEDSA-N 1 2 308.378 2.531 20 5 DFBDLO CC(C)[C@]1(CO)CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339706942 427815624 /nfs/dbraw/zinc/81/56/24/427815624.db2.gz KWPXJARIHJPOLZ-MRXNPFEDSA-N 1 2 308.378 2.531 20 5 DFBDLO CC1(C)C[NH+]=C(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)S1 ZINC000301735510 427820047 /nfs/dbraw/zinc/82/00/47/427820047.db2.gz HEVIFUKZFVUCJT-UHFFFAOYSA-N 1 2 320.418 2.598 20 5 DFBDLO CCOc1cc(C[N@H+](CC(=O)OC)[C@H](C)CC)ccc1[N+](=O)[O-] ZINC000337257540 427825915 /nfs/dbraw/zinc/82/59/15/427825915.db2.gz UKQKWPZBGXJTBT-GFCCVEGCSA-N 1 2 324.377 2.767 20 5 DFBDLO CCOc1cc(C[N@@H+](CC(=O)OC)[C@H](C)CC)ccc1[N+](=O)[O-] ZINC000337257540 427825918 /nfs/dbraw/zinc/82/59/18/427825918.db2.gz UKQKWPZBGXJTBT-GFCCVEGCSA-N 1 2 324.377 2.767 20 5 DFBDLO COc1cccc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c1[N+](=O)[O-] ZINC000337260193 427826686 /nfs/dbraw/zinc/82/66/86/427826686.db2.gz WGVVOBYBVBPPJR-ZDUSSCGKSA-N 1 2 315.329 2.656 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339775786 427827450 /nfs/dbraw/zinc/82/74/50/427827450.db2.gz MOUQKVUYQAEEFY-AWEZNQCLSA-N 1 2 306.362 2.691 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339775786 427827453 /nfs/dbraw/zinc/82/74/53/427827453.db2.gz MOUQKVUYQAEEFY-AWEZNQCLSA-N 1 2 306.362 2.691 20 5 DFBDLO C[N@H+](CCOc1ccc(F)cc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000349656300 427838988 /nfs/dbraw/zinc/83/89/88/427838988.db2.gz WEXWFAOPRWJFQS-UHFFFAOYSA-N 1 2 320.320 2.950 20 5 DFBDLO C[N@@H+](CCOc1ccc(F)cc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000349656300 427838995 /nfs/dbraw/zinc/83/89/95/427838995.db2.gz WEXWFAOPRWJFQS-UHFFFAOYSA-N 1 2 320.320 2.950 20 5 DFBDLO O=[N+]([O-])c1cnccc1N1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000349897381 427891233 /nfs/dbraw/zinc/89/12/33/427891233.db2.gz XTFXWCNFRUAULP-UHFFFAOYSA-N 1 2 321.340 2.738 20 5 DFBDLO CN(C[C@H](O)C(F)(F)F)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413227720 427996379 /nfs/dbraw/zinc/99/63/79/427996379.db2.gz PPCLZATXAQFHSW-NSHDSACASA-N 1 2 315.251 2.502 20 5 DFBDLO Cc1cc(NC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000341708485 428162470 /nfs/dbraw/zinc/16/24/70/428162470.db2.gz XEFLZXVCIUVFSS-NSHDSACASA-N 1 2 300.318 2.603 20 5 DFBDLO Cc1cn2cc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)ccc2[nH+]1 ZINC000356511606 428209832 /nfs/dbraw/zinc/20/98/32/428209832.db2.gz LEAVOHWTHSRXEN-UHFFFAOYSA-N 1 2 312.285 2.509 20 5 DFBDLO Cc1ccc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000378404976 428388161 /nfs/dbraw/zinc/38/81/61/428388161.db2.gz CFQJGKNUFMVQTP-GFCCVEGCSA-N 1 2 300.318 2.604 20 5 DFBDLO Cc1ccc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000378404977 428388427 /nfs/dbraw/zinc/38/84/27/428388427.db2.gz CFQJGKNUFMVQTP-LBPRGKRZSA-N 1 2 300.318 2.604 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1c1[nH+]ccn1C ZINC000371468822 428390806 /nfs/dbraw/zinc/39/08/06/428390806.db2.gz BOTSZKDOSQMPBW-AWEZNQCLSA-N 1 2 314.345 2.614 20 5 DFBDLO Cc1ccn2cc(CNC(=O)c3csc([N+](=O)[O-])c3)[nH+]c2c1 ZINC000342272590 428378827 /nfs/dbraw/zinc/37/88/27/428378827.db2.gz NJQJQLXYAMFLCP-UHFFFAOYSA-N 1 2 316.342 2.542 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](OCc3ccncc3)C2)cs1 ZINC000347108557 428449959 /nfs/dbraw/zinc/44/99/59/428449959.db2.gz WHOYPNWPRQHSFB-AWEZNQCLSA-N 1 2 319.386 2.842 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](OCc3ccncc3)C2)cs1 ZINC000347108557 428449963 /nfs/dbraw/zinc/44/99/63/428449963.db2.gz WHOYPNWPRQHSFB-AWEZNQCLSA-N 1 2 319.386 2.842 20 5 DFBDLO CCn1c(C)nc([N+](=O)[O-])c1Sc1[nH+]cc2ccccn21 ZINC000360842569 428460772 /nfs/dbraw/zinc/46/07/72/428460772.db2.gz OOLCJIKKWUBMHV-UHFFFAOYSA-N 1 2 303.347 2.919 20 5 DFBDLO Cc1nc(CC[N@@H+](C)Cc2c(Cl)cccc2[N+](=O)[O-])no1 ZINC000353191359 428426150 /nfs/dbraw/zinc/42/61/50/428426150.db2.gz JVTYYJZUYRPWKR-UHFFFAOYSA-N 1 2 310.741 2.614 20 5 DFBDLO Cc1nc(CC[N@H+](C)Cc2c(Cl)cccc2[N+](=O)[O-])no1 ZINC000353191359 428426152 /nfs/dbraw/zinc/42/61/52/428426152.db2.gz JVTYYJZUYRPWKR-UHFFFAOYSA-N 1 2 310.741 2.614 20 5 DFBDLO CCn1c(C)nc([N+](=O)[O-])c1NCc1cn2c(cccc2C)[nH+]1 ZINC000360910269 428487981 /nfs/dbraw/zinc/48/79/81/428487981.db2.gz RLURKZQBMSTHOF-UHFFFAOYSA-N 1 2 314.349 2.688 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1NCc1ccn3cc[nH+]c3c1)CCN2 ZINC000357425860 428530115 /nfs/dbraw/zinc/53/01/15/428530115.db2.gz SPDYAFOPPJMUDF-UHFFFAOYSA-N 1 2 309.329 2.823 20 5 DFBDLO Cc1cccc(CCCNc2ncnc3cccc([N+](=O)[O-])c32)[nH+]1 ZINC000343236397 428538241 /nfs/dbraw/zinc/53/82/41/428538241.db2.gz TXMZUTCGEZHBTH-UHFFFAOYSA-N 1 2 323.356 3.286 20 5 DFBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@](C)(F)C2)cccc1[N+](=O)[O-] ZINC000347343821 428556599 /nfs/dbraw/zinc/55/65/99/428556599.db2.gz HKGGUBMDEWEINX-IAQYHMDHSA-N 1 2 309.341 2.664 20 5 DFBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@](C)(F)C2)cccc1[N+](=O)[O-] ZINC000347343821 428556607 /nfs/dbraw/zinc/55/66/07/428556607.db2.gz HKGGUBMDEWEINX-IAQYHMDHSA-N 1 2 309.341 2.664 20 5 DFBDLO CCOC(=O)[C@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000344705999 428696374 /nfs/dbraw/zinc/69/63/74/428696374.db2.gz ODSFXKLQNGMFAK-GTBONMDNSA-N 1 2 304.346 2.636 20 5 DFBDLO CCOC(=O)[C@H]1CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000344705999 428696377 /nfs/dbraw/zinc/69/63/77/428696377.db2.gz ODSFXKLQNGMFAK-GTBONMDNSA-N 1 2 304.346 2.636 20 5 DFBDLO CC(C)[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000411328245 428779006 /nfs/dbraw/zinc/77/90/06/428779006.db2.gz PIFLOSJCFDHGMU-UHFFFAOYSA-N 1 2 315.320 2.899 20 5 DFBDLO CC(C)[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000411328245 428779012 /nfs/dbraw/zinc/77/90/12/428779012.db2.gz PIFLOSJCFDHGMU-UHFFFAOYSA-N 1 2 315.320 2.899 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])c(NCCc2cn3ccccc3[nH+]2)n1 ZINC000359084962 428810448 /nfs/dbraw/zinc/81/04/48/428810448.db2.gz RXINCQKAUMOWHK-UHFFFAOYSA-N 1 2 311.345 2.909 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411864974 428871637 /nfs/dbraw/zinc/87/16/37/428871637.db2.gz SQCAAIFRKUEZQF-MRXNPFEDSA-N 1 2 306.362 2.604 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411864974 428871643 /nfs/dbraw/zinc/87/16/43/428871643.db2.gz SQCAAIFRKUEZQF-MRXNPFEDSA-N 1 2 306.362 2.604 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411864973 428872276 /nfs/dbraw/zinc/87/22/76/428872276.db2.gz SQCAAIFRKUEZQF-INIZCTEOSA-N 1 2 306.362 2.604 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000411864973 428872282 /nfs/dbraw/zinc/87/22/82/428872282.db2.gz SQCAAIFRKUEZQF-INIZCTEOSA-N 1 2 306.362 2.604 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000363775494 428991875 /nfs/dbraw/zinc/99/18/75/428991875.db2.gz QYDOLRALNQNPFQ-INIZCTEOSA-N 1 2 306.362 2.604 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000363775494 428991882 /nfs/dbraw/zinc/99/18/82/428991882.db2.gz QYDOLRALNQNPFQ-INIZCTEOSA-N 1 2 306.362 2.604 20 5 DFBDLO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000354824198 429010736 /nfs/dbraw/zinc/01/07/36/429010736.db2.gz CCOKHCHPRSFVQU-GHMZBOCLSA-N 1 2 318.352 2.975 20 5 DFBDLO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000354824198 429010740 /nfs/dbraw/zinc/01/07/40/429010740.db2.gz CCOKHCHPRSFVQU-GHMZBOCLSA-N 1 2 318.352 2.975 20 5 DFBDLO Cn1cc[nH+]c1[C@@H]1CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000371506456 274897928 /nfs/dbraw/zinc/89/79/28/274897928.db2.gz ROQFOZBSJYNADM-AWEZNQCLSA-N 1 2 304.325 2.805 20 5 DFBDLO COc1ccnc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000424311679 429124030 /nfs/dbraw/zinc/12/40/30/429124030.db2.gz UXVHIGGPHWKDCD-AWEZNQCLSA-N 1 2 314.345 2.561 20 5 DFBDLO CCN(CC)c1ccc(CNc2ncc([N+](=O)[O-])cc2F)c[nH+]1 ZINC000413057861 429129362 /nfs/dbraw/zinc/12/93/62/429129362.db2.gz GRMDWHTVXCLCQJ-UHFFFAOYSA-N 1 2 319.340 2.982 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c(Cl)c1 ZINC000425355604 429273115 /nfs/dbraw/zinc/27/31/15/429273115.db2.gz VAWSTFNQXPKWMV-CYBMUJFWSA-N 1 2 321.768 2.677 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)c(Cl)c1 ZINC000425355604 429273118 /nfs/dbraw/zinc/27/31/18/429273118.db2.gz VAWSTFNQXPKWMV-CYBMUJFWSA-N 1 2 321.768 2.677 20 5 DFBDLO Cc1cc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)nn1C ZINC000490044435 429275407 /nfs/dbraw/zinc/27/54/07/429275407.db2.gz DWRGGFSRVCCVSK-UHFFFAOYSA-N 1 2 300.362 2.801 20 5 DFBDLO Cc1cc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)nn1C ZINC000490044435 429275411 /nfs/dbraw/zinc/27/54/11/429275411.db2.gz DWRGGFSRVCCVSK-UHFFFAOYSA-N 1 2 300.362 2.801 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456396570 429298053 /nfs/dbraw/zinc/29/80/53/429298053.db2.gz SULILIPHCPDPJM-MFKMUULPSA-N 1 2 300.318 2.536 20 5 DFBDLO Cc1cc(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)cc([N+](=O)[O-])c1 ZINC000456399425 429298153 /nfs/dbraw/zinc/29/81/53/429298153.db2.gz UUAMILLJSKNSNC-MFKMUULPSA-N 1 2 300.318 2.536 20 5 DFBDLO Cc1cc(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)cc([N+](=O)[O-])c1 ZINC000456399422 429298607 /nfs/dbraw/zinc/29/86/07/429298607.db2.gz UUAMILLJSKNSNC-GWCFXTLKSA-N 1 2 300.318 2.536 20 5 DFBDLO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1noc(C2CC2)n1 ZINC000449297675 429379754 /nfs/dbraw/zinc/37/97/54/429379754.db2.gz HFIFBMGXGDOWIB-HWKANZROSA-N 1 2 300.318 2.658 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000449573783 429452770 /nfs/dbraw/zinc/45/27/70/429452770.db2.gz SCEXTDSYVMKWLV-BXUZGUMPSA-N 1 2 316.361 2.986 20 5 DFBDLO CCN1CCN(c2c(C)cccc2[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000366505790 429466384 /nfs/dbraw/zinc/46/63/84/429466384.db2.gz LOOPWVRQEBMLOS-CQSZACIVSA-N 1 2 315.377 2.510 20 5 DFBDLO Cc1cc(NC(=O)C=Cc2ccc(F)cc2[N+](=O)[O-])c(C)c[nH+]1 ZINC000492256799 429496504 /nfs/dbraw/zinc/49/65/04/429496504.db2.gz CDCNFKDQYQUZKO-XQRVVYSFSA-N 1 2 315.304 2.820 20 5 DFBDLO CC(C)c1nc(N(C)C)nc(NCc2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301953810 276065076 /nfs/dbraw/zinc/06/50/76/276065076.db2.gz DBBBKWICPVGZOF-UHFFFAOYSA-N 1 2 316.365 2.581 20 5 DFBDLO CC(C)c1nc(NCc2cccc([N+](=O)[O-])c2)nc(N(C)C)[nH+]1 ZINC000301953810 276065078 /nfs/dbraw/zinc/06/50/78/276065078.db2.gz DBBBKWICPVGZOF-UHFFFAOYSA-N 1 2 316.365 2.581 20 5 DFBDLO COc1ccnc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000450689911 429677519 /nfs/dbraw/zinc/67/75/19/429677519.db2.gz YMNLAXMCMIKHPE-NSHDSACASA-N 1 2 302.334 2.553 20 5 DFBDLO COCC1(C[NH+]=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCCC1 ZINC000450920104 429731631 /nfs/dbraw/zinc/73/16/31/429731631.db2.gz SUTQLMZKDJGQPH-UHFFFAOYSA-N 1 2 304.350 2.512 20 5 DFBDLO O=C(C=Cc1c[nH]c[nH+]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000493750624 429822382 /nfs/dbraw/zinc/82/23/82/429822382.db2.gz IBTFLUPFSSWIPD-VMPITWQZSA-N 1 2 312.329 2.522 20 5 DFBDLO CCOc1cc(C[N@@H+]2CCc3ncccc3C2)ccc1[N+](=O)[O-] ZINC000368633936 429882101 /nfs/dbraw/zinc/88/21/01/429882101.db2.gz OYPSGHBUDZMYLM-UHFFFAOYSA-N 1 2 313.357 2.947 20 5 DFBDLO CCOc1cc(C[N@H+]2CCc3ncccc3C2)ccc1[N+](=O)[O-] ZINC000368633936 429882103 /nfs/dbraw/zinc/88/21/03/429882103.db2.gz OYPSGHBUDZMYLM-UHFFFAOYSA-N 1 2 313.357 2.947 20 5 DFBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3cc(F)ccc3F)C2)c1 ZINC000369018373 429907309 /nfs/dbraw/zinc/90/73/09/429907309.db2.gz LENLBUUYPNYMKD-ZDUSSCGKSA-N 1 2 322.315 2.907 20 5 DFBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3cc(F)ccc3F)C2)c1 ZINC000369018373 429907310 /nfs/dbraw/zinc/90/73/10/429907310.db2.gz LENLBUUYPNYMKD-ZDUSSCGKSA-N 1 2 322.315 2.907 20 5 DFBDLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000361139648 277106451 /nfs/dbraw/zinc/10/64/51/277106451.db2.gz HFCOTTUTUHYSMZ-ABAIWWIYSA-N 1 2 306.362 2.677 20 5 DFBDLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000361139648 277106453 /nfs/dbraw/zinc/10/64/53/277106453.db2.gz HFCOTTUTUHYSMZ-ABAIWWIYSA-N 1 2 306.362 2.677 20 5 DFBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)(C)C ZINC000582006941 430260421 /nfs/dbraw/zinc/26/04/21/430260421.db2.gz BFOWDCICAKWUAZ-LLVKDONJSA-N 1 2 316.361 2.945 20 5 DFBDLO CC(C)OC[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000545325080 430316522 /nfs/dbraw/zinc/31/65/22/430316522.db2.gz OZSCHFQXFWDATR-KBPBESRZSA-N 1 2 308.378 2.782 20 5 DFBDLO CC(C)OC[C@@H]1C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000545325080 430316524 /nfs/dbraw/zinc/31/65/24/430316524.db2.gz OZSCHFQXFWDATR-KBPBESRZSA-N 1 2 308.378 2.782 20 5 DFBDLO CCc1ccc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000569935045 430499473 /nfs/dbraw/zinc/49/94/73/430499473.db2.gz WSDOVBUTCQSFPY-UHFFFAOYSA-N 1 2 302.334 2.545 20 5 DFBDLO CC[C@H]([NH2+][C@@H](C)c1nccc(N)n1)c1cccc([N+](=O)[O-])c1 ZINC000593969604 430499602 /nfs/dbraw/zinc/49/96/02/430499602.db2.gz BGVRZUFFLWVTFN-GWCFXTLKSA-N 1 2 301.350 2.769 20 5 DFBDLO C[C@H](O)C[N@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000549859834 430534451 /nfs/dbraw/zinc/53/44/51/430534451.db2.gz BZERKYRDEURWOW-ZDUSSCGKSA-N 1 2 316.357 2.683 20 5 DFBDLO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000549859834 430534455 /nfs/dbraw/zinc/53/44/55/430534455.db2.gz BZERKYRDEURWOW-ZDUSSCGKSA-N 1 2 316.357 2.683 20 5 DFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nnc(C2CC2)o1 ZINC000554842717 430652659 /nfs/dbraw/zinc/65/26/59/430652659.db2.gz CCHZIPMRIBJQNC-UHFFFAOYSA-N 1 2 302.334 2.530 20 5 DFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nnc(C2CC2)o1 ZINC000554842717 430652663 /nfs/dbraw/zinc/65/26/63/430652663.db2.gz CCHZIPMRIBJQNC-UHFFFAOYSA-N 1 2 302.334 2.530 20 5 DFBDLO CCOC(=O)[C@H]1CCC[N@@H+]1[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572735422 430696552 /nfs/dbraw/zinc/69/65/52/430696552.db2.gz VJJQAEPNHPEAMD-DZGCQCFKSA-N 1 2 304.346 2.610 20 5 DFBDLO CCOC(=O)[C@H]1CCC[N@H+]1[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572735422 430696554 /nfs/dbraw/zinc/69/65/54/430696554.db2.gz VJJQAEPNHPEAMD-DZGCQCFKSA-N 1 2 304.346 2.610 20 5 DFBDLO CC(C)(C)n1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])nn1 ZINC000291769544 278581315 /nfs/dbraw/zinc/58/13/15/278581315.db2.gz SQTVPMYNLOKSGM-UHFFFAOYSA-N 1 2 317.393 2.966 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000330461072 280368931 /nfs/dbraw/zinc/36/89/31/280368931.db2.gz WJXKHOFYCAMXTP-ZDUSSCGKSA-N 1 2 306.362 2.549 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000330461072 280368934 /nfs/dbraw/zinc/36/89/34/280368934.db2.gz WJXKHOFYCAMXTP-ZDUSSCGKSA-N 1 2 306.362 2.549 20 5 DFBDLO Cc1ccc2c(c1)C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000361598969 281071110 /nfs/dbraw/zinc/07/11/10/281071110.db2.gz AYZFHFHJXFCUMP-UHFFFAOYSA-N 1 2 311.341 2.518 20 5 DFBDLO Cc1ccc2c(c1)C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000361598969 281071113 /nfs/dbraw/zinc/07/11/13/281071113.db2.gz AYZFHFHJXFCUMP-UHFFFAOYSA-N 1 2 311.341 2.518 20 5 DFBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000288290749 288676527 /nfs/dbraw/zinc/67/65/27/288676527.db2.gz BQURXBMNQCRUSI-LLVKDONJSA-N 1 2 304.354 2.574 20 5 DFBDLO Cc1cn2c([nH+]1)CN(c1ccc3ncccc3c1[N+](=O)[O-])CC2 ZINC000371705561 292853505 /nfs/dbraw/zinc/85/35/05/292853505.db2.gz DRMRQTRLPRPTKP-UHFFFAOYSA-N 1 2 309.329 2.668 20 5 DFBDLO Cc1[nH+]c2n(c1C)CCN([C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000377489064 293495620 /nfs/dbraw/zinc/49/56/20/293495620.db2.gz NGHJCUIASKRIAA-ZDUSSCGKSA-N 1 2 300.362 2.985 20 5 DFBDLO Cc1[nH+]c2n(c1C)CCN(c1ccc3ncccc3c1[N+](=O)[O-])C2 ZINC000368962187 293496363 /nfs/dbraw/zinc/49/63/63/293496363.db2.gz UHBCBENRXFYRHE-UHFFFAOYSA-N 1 2 323.356 2.977 20 5 DFBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCCc2[nH+]cccc2C)c1 ZINC000405109088 295502267 /nfs/dbraw/zinc/50/22/67/295502267.db2.gz YULWGIRZZJRMSZ-UHFFFAOYSA-N 1 2 315.329 2.739 20 5 DFBDLO CC[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1[nH]cc[nH+]1 ZINC000442789536 297206210 /nfs/dbraw/zinc/20/62/10/297206210.db2.gz FACHNRCCCONGJB-SNVBAGLBSA-N 1 2 313.317 2.680 20 5 DFBDLO CCOc1ccc(C(=O)N[C@@H](CC)c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000442808250 297207623 /nfs/dbraw/zinc/20/76/23/297207623.db2.gz GTNFHPKWHHXYAC-NSHDSACASA-N 1 2 318.333 2.598 20 5 DFBDLO COC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccco1 ZINC000444687404 297245329 /nfs/dbraw/zinc/24/53/29/297245329.db2.gz UYUQQPZLMIFBJC-CYBMUJFWSA-N 1 2 316.317 2.541 20 5 DFBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cc(O)cc(F)c3)nc2c1 ZINC000446829264 297287789 /nfs/dbraw/zinc/28/77/89/297287789.db2.gz FWPAZMMJJSVRDE-UHFFFAOYSA-N 1 2 316.292 2.606 20 5 DFBDLO CC[C@@H](C)CN(C)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447803598 297317660 /nfs/dbraw/zinc/31/76/60/297317660.db2.gz AZQPQKOEFQATHP-CQSZACIVSA-N 1 2 321.421 2.909 20 5 DFBDLO CC1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448562488 297343472 /nfs/dbraw/zinc/34/34/72/297343472.db2.gz CPYCWNXYQCVAQP-UHFFFAOYSA-N 1 2 314.345 2.653 20 5 DFBDLO CCCCN(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448645704 297351912 /nfs/dbraw/zinc/35/19/12/297351912.db2.gz BGRUMSBBCNSKED-UHFFFAOYSA-N 1 2 302.334 2.653 20 5 DFBDLO COC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449256774 297430136 /nfs/dbraw/zinc/43/01/36/297430136.db2.gz JVSWDKPBLPASEO-JSGCOSHPSA-N 1 2 308.378 2.703 20 5 DFBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000450000568 297573183 /nfs/dbraw/zinc/57/31/83/297573183.db2.gz VJXRNNJBXGCXAA-RYUDHWBXSA-N 1 2 314.345 2.509 20 5 DFBDLO C[C@@H]1[C@@H](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450047467 297580929 /nfs/dbraw/zinc/58/09/29/297580929.db2.gz VIWOIBCCSAHZGG-NWDGAFQWSA-N 1 2 314.345 2.651 20 5 DFBDLO Cc1cc(C)c(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000454293964 298150306 /nfs/dbraw/zinc/15/03/06/298150306.db2.gz VVKBJQYYZPYFCT-UHFFFAOYSA-N 1 2 314.345 2.606 20 5 DFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000456352444 298504698 /nfs/dbraw/zinc/50/46/98/298504698.db2.gz NDDVMKHYCLPDRG-LLVKDONJSA-N 1 2 302.334 2.611 20 5 DFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000456365556 298508069 /nfs/dbraw/zinc/50/80/69/298508069.db2.gz ZAMIDTVUNILVTB-LLVKDONJSA-N 1 2 302.334 2.611 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456420440 298524810 /nfs/dbraw/zinc/52/48/10/298524810.db2.gz MONYVVQPROBSQN-QWRGUYRKSA-N 1 2 300.318 2.536 20 5 DFBDLO COc1cc(C(=O)NCc2c[nH+]c(C)cc2C)ccc1[N+](=O)[O-] ZINC000456866219 298593427 /nfs/dbraw/zinc/59/34/27/298593427.db2.gz UTYKYFRPJPWYOP-UHFFFAOYSA-N 1 2 315.329 2.545 20 5 DFBDLO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)[nH]1 ZINC000537943032 301314084 /nfs/dbraw/zinc/31/40/84/301314084.db2.gz ZCTNOUKKIOYVGO-GHMZBOCLSA-N 1 2 303.366 2.996 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1nnc2n1CCCC2 ZINC000545457401 301475664 /nfs/dbraw/zinc/47/56/64/301475664.db2.gz DNTBLIUGGBPKES-LBPRGKRZSA-N 1 2 315.377 2.682 20 5 DFBDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000566442488 302286990 /nfs/dbraw/zinc/28/69/90/302286990.db2.gz ROWJGIZWZNVKKL-LLVKDONJSA-N 1 2 316.361 2.548 20 5 DFBDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000566442488 302286993 /nfs/dbraw/zinc/28/69/93/302286993.db2.gz ROWJGIZWZNVKKL-LLVKDONJSA-N 1 2 316.361 2.548 20 5 DFBDLO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1nccn1C ZINC000182829534 316119969 /nfs/dbraw/zinc/11/99/69/316119969.db2.gz SAWIDXDJGMARAB-ZDUSSCGKSA-N 1 2 304.350 2.578 20 5 DFBDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183235267 316135073 /nfs/dbraw/zinc/13/50/73/316135073.db2.gz XZEXNIGSOWQYNY-HNNXBMFYSA-N 1 2 306.362 2.821 20 5 DFBDLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183235267 316135077 /nfs/dbraw/zinc/13/50/77/316135077.db2.gz XZEXNIGSOWQYNY-HNNXBMFYSA-N 1 2 306.362 2.821 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1C(=O)OC(C)C ZINC000183359136 316139692 /nfs/dbraw/zinc/13/96/92/316139692.db2.gz QCCSEVJPFMXCQQ-HNNXBMFYSA-N 1 2 306.362 2.819 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1C(=O)OC(C)C ZINC000183359136 316139695 /nfs/dbraw/zinc/13/96/95/316139695.db2.gz QCCSEVJPFMXCQQ-HNNXBMFYSA-N 1 2 306.362 2.819 20 5 DFBDLO Cc1ccn2cc(CNC(=O)c3c(C)cccc3[N+](=O)[O-])[nH+]c2c1 ZINC000446108521 317004578 /nfs/dbraw/zinc/00/45/78/317004578.db2.gz OFWGJJBGNQYEPL-UHFFFAOYSA-N 1 2 324.340 2.789 20 5 DFBDLO CC(C)[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C1(CO)CCCC1 ZINC000453618051 317193917 /nfs/dbraw/zinc/19/39/17/317193917.db2.gz PLRNNEHOCCOUSM-MRXNPFEDSA-N 1 2 322.405 2.967 20 5 DFBDLO CC(C)OC1CC([N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000459506740 317327365 /nfs/dbraw/zinc/32/73/65/317327365.db2.gz UHBNJGXMVFQGPO-UHFFFAOYSA-N 1 2 306.362 2.745 20 5 DFBDLO CC(C)OC1CC([N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000459506740 317327367 /nfs/dbraw/zinc/32/73/67/317327367.db2.gz UHBNJGXMVFQGPO-UHFFFAOYSA-N 1 2 306.362 2.745 20 5 DFBDLO C[C@@H](C(=O)NC1CCCCC1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192635241 323245816 /nfs/dbraw/zinc/24/58/16/323245816.db2.gz CPKAVUCCVHPIDB-ZDUSSCGKSA-N 1 2 319.405 2.864 20 5 DFBDLO C[C@@H](C(=O)NC1CCCCC1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192635241 323245818 /nfs/dbraw/zinc/24/58/18/323245818.db2.gz CPKAVUCCVHPIDB-ZDUSSCGKSA-N 1 2 319.405 2.864 20 5 DFBDLO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000584528235 337356321 /nfs/dbraw/zinc/35/63/21/337356321.db2.gz IIMLWKRTQLLBIN-RYUDHWBXSA-N 1 2 307.350 2.537 20 5 DFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCn2cc[nH+]c2C1 ZINC000604558909 501081822 /nfs/dbraw/zinc/08/18/22/501081822.db2.gz KMSIBGCZSVOZQE-UHFFFAOYSA-N 1 2 312.251 2.830 20 5 DFBDLO C[C@@]1(F)CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000295563849 534271143 /nfs/dbraw/zinc/27/11/43/534271143.db2.gz YDKKJZOJOOWDMI-OAHLLOKOSA-N 1 2 320.324 2.969 20 5 DFBDLO C[C@@]1(F)CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000295563849 534271147 /nfs/dbraw/zinc/27/11/47/534271147.db2.gz YDKKJZOJOOWDMI-OAHLLOKOSA-N 1 2 320.324 2.969 20 5 DFBDLO CCOc1cc(C[N@@H+]2CCOCC23CCC3)ccc1[N+](=O)[O-] ZINC000365188644 520700838 /nfs/dbraw/zinc/70/08/38/520700838.db2.gz DMGWTVBNMHERRK-UHFFFAOYSA-N 1 2 306.362 2.748 20 5 DFBDLO CCOc1cc(C[N@H+]2CCOCC23CCC3)ccc1[N+](=O)[O-] ZINC000365188644 520700842 /nfs/dbraw/zinc/70/08/42/520700842.db2.gz DMGWTVBNMHERRK-UHFFFAOYSA-N 1 2 306.362 2.748 20 5 DFBDLO CC(F)(F)CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000295574708 528730464 /nfs/dbraw/zinc/73/04/64/528730464.db2.gz MPLCSHULWLOUTL-UHFFFAOYSA-N 1 2 324.287 2.556 20 5 DFBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)C(F)(F)F ZINC000181257582 199272418 /nfs/dbraw/zinc/27/24/18/199272418.db2.gz WTMVUSJCLRAISU-JTQLQIEISA-N 1 2 312.675 2.603 20 5 DFBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)C(F)(F)F ZINC000181257582 199272419 /nfs/dbraw/zinc/27/24/19/199272419.db2.gz WTMVUSJCLRAISU-JTQLQIEISA-N 1 2 312.675 2.603 20 5 DFBDLO CC(C)COC[C@H](O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413067255 295673615 /nfs/dbraw/zinc/67/36/15/295673615.db2.gz WOOPSZHBXGVNPV-CQSZACIVSA-N 1 2 319.361 2.588 20 5 DFBDLO Cc1cc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000596215495 398359437 /nfs/dbraw/zinc/35/94/37/398359437.db2.gz ULTODSFIBYEDGY-PHIMTYICSA-N 1 2 313.423 2.510 20 5 DFBDLO Cc1cc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000596215495 398359438 /nfs/dbraw/zinc/35/94/38/398359438.db2.gz ULTODSFIBYEDGY-PHIMTYICSA-N 1 2 313.423 2.510 20 5 DFBDLO CC[C@H]([NH2+]Cc1nc(C2CC2)nn1C)c1cccc([N+](=O)[O-])c1 ZINC000592100636 398383474 /nfs/dbraw/zinc/38/34/74/398383474.db2.gz YHGXKFUFWLILGP-AWEZNQCLSA-N 1 2 315.377 2.842 20 5 DFBDLO Cn1c[nH+]cc1CNc1ccc([N+](=O)[O-])cc1Br ZINC000090166289 185284409 /nfs/dbraw/zinc/28/44/09/185284409.db2.gz ULZQPYIRBHLWBN-UHFFFAOYSA-N 1 2 311.139 2.703 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@H](n4cccn4)C3)c2c1 ZINC000413307910 295696107 /nfs/dbraw/zinc/69/61/07/295696107.db2.gz ILLMOKQWPVIMBG-AWEZNQCLSA-N 1 2 309.329 2.791 20 5 DFBDLO CC[C@@H]([NH2+]Cc1nnc(C2CC2)n1C)c1cccc([N+](=O)[O-])c1 ZINC000181527473 199312179 /nfs/dbraw/zinc/31/21/79/199312179.db2.gz IJSGZWZHMAZGBD-CQSZACIVSA-N 1 2 315.377 2.842 20 5 DFBDLO O=[N+]([O-])c1cc(F)ccc1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC000022136316 398416706 /nfs/dbraw/zinc/41/67/06/398416706.db2.gz VPWUTUXIGAKBES-UHFFFAOYSA-N 1 2 318.308 2.709 20 5 DFBDLO CCO[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000585727043 398442280 /nfs/dbraw/zinc/44/22/80/398442280.db2.gz XMWXPBOEQWLNCP-LLVKDONJSA-N 1 2 300.305 2.874 20 5 DFBDLO CCO[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000585727043 398442284 /nfs/dbraw/zinc/44/22/84/398442284.db2.gz XMWXPBOEQWLNCP-LLVKDONJSA-N 1 2 300.305 2.874 20 5 DFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]Cc2ccccn2)c1 ZINC000067696943 398450882 /nfs/dbraw/zinc/45/08/82/398450882.db2.gz GPXCQJBWMVBTAG-UHFFFAOYSA-N 1 2 309.272 2.881 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000596633884 398466456 /nfs/dbraw/zinc/46/64/56/398466456.db2.gz QPMYBOOCUFYTRL-NSHDSACASA-N 1 2 314.345 2.678 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000596633884 398466459 /nfs/dbraw/zinc/46/64/59/398466459.db2.gz QPMYBOOCUFYTRL-NSHDSACASA-N 1 2 314.345 2.678 20 5 DFBDLO C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026346599 282372650 /nfs/dbraw/zinc/37/26/50/282372650.db2.gz NFHIMWJCNFOYRH-DZGCQCFKSA-N 1 2 319.405 2.722 20 5 DFBDLO C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026346599 282372651 /nfs/dbraw/zinc/37/26/51/282372651.db2.gz NFHIMWJCNFOYRH-DZGCQCFKSA-N 1 2 319.405 2.722 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000596843165 398512475 /nfs/dbraw/zinc/51/24/75/398512475.db2.gz QSQUSPJIOZJLSM-SNVBAGLBSA-N 1 2 303.322 2.519 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](CC)CO1 ZINC000593058337 398533386 /nfs/dbraw/zinc/53/33/86/398533386.db2.gz LQCHAHFLHXOHGG-WCQYABFASA-N 1 2 318.377 2.861 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](CC)CO1 ZINC000593058337 398533391 /nfs/dbraw/zinc/53/33/91/398533391.db2.gz LQCHAHFLHXOHGG-WCQYABFASA-N 1 2 318.377 2.861 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)[C@H](CC)CO1 ZINC000593060017 398534574 /nfs/dbraw/zinc/53/45/74/398534574.db2.gz VVBZGOISFMSQAQ-UKRRQHHQSA-N 1 2 308.378 2.993 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)[C@H](CC)CO1 ZINC000593060017 398534578 /nfs/dbraw/zinc/53/45/78/398534578.db2.gz VVBZGOISFMSQAQ-UKRRQHHQSA-N 1 2 308.378 2.993 20 5 DFBDLO COc1cccc(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000459619270 299149514 /nfs/dbraw/zinc/14/95/14/299149514.db2.gz HMXXHEMKNFAASC-UHFFFAOYSA-N 1 2 314.341 2.867 20 5 DFBDLO CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000589953917 398585706 /nfs/dbraw/zinc/58/57/06/398585706.db2.gz AMXDILYQYVDNRM-NSHDSACASA-N 1 2 318.333 2.772 20 5 DFBDLO CC[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000140683207 186027495 /nfs/dbraw/zinc/02/74/95/186027495.db2.gz HZYCIVJPMPPORG-JTQLQIEISA-N 1 2 308.725 2.852 20 5 DFBDLO CC[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000140683425 186027602 /nfs/dbraw/zinc/02/76/02/186027602.db2.gz HZYCIVJPMPPORG-SNVBAGLBSA-N 1 2 308.725 2.852 20 5 DFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000043485753 398622160 /nfs/dbraw/zinc/62/21/60/398622160.db2.gz MTZYPLBTCKVSOT-UHFFFAOYSA-N 1 2 323.312 2.736 20 5 DFBDLO C[C@@H]1CCN(c2c(Cl)cncc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000590587074 398635423 /nfs/dbraw/zinc/63/54/23/398635423.db2.gz VMMKDXKBZYNICI-ZWNOBZJWSA-N 1 2 321.768 2.927 20 5 DFBDLO Cc1cc(N(C)[C@H](C)CCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000593518158 398650718 /nfs/dbraw/zinc/65/07/18/398650718.db2.gz IDDUVOHBVLLMIC-GFCCVEGCSA-N 1 2 316.361 2.567 20 5 DFBDLO Cc1cc(NCC[C@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000265154313 186342672 /nfs/dbraw/zinc/34/26/72/186342672.db2.gz UJDSKEVHHXYHMC-NSHDSACASA-N 1 2 302.334 2.543 20 5 DFBDLO CCC[N@H+](CC(=O)N(C)C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182078695 199383464 /nfs/dbraw/zinc/38/34/64/199383464.db2.gz KDIGCYAQFMUHFN-UHFFFAOYSA-N 1 2 313.785 2.548 20 5 DFBDLO CCC[N@@H+](CC(=O)N(C)C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182078695 199383465 /nfs/dbraw/zinc/38/34/65/199383465.db2.gz KDIGCYAQFMUHFN-UHFFFAOYSA-N 1 2 313.785 2.548 20 5 DFBDLO Cc1cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000075553159 398810011 /nfs/dbraw/zinc/81/00/11/398810011.db2.gz XACSFFKOCXZWOK-ZDUSSCGKSA-N 1 2 314.345 2.646 20 5 DFBDLO O=[N+]([O-])c1ccc(Cl)c(CSCC[NH+]2CCOCC2)c1 ZINC000179481589 199043014 /nfs/dbraw/zinc/04/30/14/199043014.db2.gz IOMCAVKXHOFLKO-UHFFFAOYSA-N 1 2 316.810 2.814 20 5 DFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1nc(C)no1 ZINC000594614744 398833989 /nfs/dbraw/zinc/83/39/89/398833989.db2.gz KAAGYUDLHAAUKN-XFFZJAGNSA-N 1 2 302.334 2.822 20 5 DFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1nc(C)no1 ZINC000594614744 398833993 /nfs/dbraw/zinc/83/39/93/398833993.db2.gz KAAGYUDLHAAUKN-XFFZJAGNSA-N 1 2 302.334 2.822 20 5 DFBDLO C[C@@H]([NH2+][C@H](C)c1cscn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000594714437 398847379 /nfs/dbraw/zinc/84/73/79/398847379.db2.gz ZZDUTGOWQOJMQM-NXEZZACHSA-N 1 2 320.374 2.729 20 5 DFBDLO CC(C)c1nnc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1C ZINC000180445430 199160510 /nfs/dbraw/zinc/16/05/10/199160510.db2.gz ILDFPMQFYHHVPA-NSHDSACASA-N 1 2 303.366 2.698 20 5 DFBDLO CO[C@@H](C)c1noc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000180406580 199155379 /nfs/dbraw/zinc/15/53/79/199155379.db2.gz NERGLGNTUBFBPY-UWVGGRQHSA-N 1 2 306.322 2.536 20 5 DFBDLO Cc1ccc([C@H](C)NC(=O)C(C)(C)c2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000598691080 398856294 /nfs/dbraw/zinc/85/62/94/398856294.db2.gz OCSFDFXLGQEPIM-NSHDSACASA-N 1 2 316.361 2.781 20 5 DFBDLO C[C@@H]1C[N@@H+](CCSc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000594896347 398866754 /nfs/dbraw/zinc/86/67/54/398866754.db2.gz WBBZIPRTVOSBTO-PHIMTYICSA-N 1 2 314.382 2.935 20 5 DFBDLO C[C@@H]1C[N@H+](CCSc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000594896347 398866757 /nfs/dbraw/zinc/86/67/57/398866757.db2.gz WBBZIPRTVOSBTO-PHIMTYICSA-N 1 2 314.382 2.935 20 5 DFBDLO C[C@@H]1C[NH+](CCSc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000594896346 398867025 /nfs/dbraw/zinc/86/70/25/398867025.db2.gz WBBZIPRTVOSBTO-GHMZBOCLSA-N 1 2 314.382 2.935 20 5 DFBDLO CCCCCNC(=O)[C@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153337938 283363674 /nfs/dbraw/zinc/36/36/74/283363674.db2.gz RRJDQIAVARRSNU-ZDUSSCGKSA-N 1 2 319.405 2.648 20 5 DFBDLO CCCCCNC(=O)[C@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153337938 283363675 /nfs/dbraw/zinc/36/36/75/283363675.db2.gz RRJDQIAVARRSNU-ZDUSSCGKSA-N 1 2 319.405 2.648 20 5 DFBDLO CC[N@H+](CCCNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccccc1 ZINC000053639685 398879340 /nfs/dbraw/zinc/87/93/40/398879340.db2.gz NFEQDGIDEVNQQF-UHFFFAOYSA-N 1 2 316.361 2.569 20 5 DFBDLO CC[N@@H+](CCCNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccccc1 ZINC000053639685 398879342 /nfs/dbraw/zinc/87/93/42/398879342.db2.gz NFEQDGIDEVNQQF-UHFFFAOYSA-N 1 2 316.361 2.569 20 5 DFBDLO COc1cc(C[NH2+][C@H](C)c2cscn2)c([N+](=O)[O-])cc1OC ZINC000594966221 398883121 /nfs/dbraw/zinc/88/31/21/398883121.db2.gz RFEJZQHFUZECSY-SECBINFHSA-N 1 2 323.374 2.919 20 5 DFBDLO Cc1cc(N[C@H](C)[C@@H](C)CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000077227314 398890932 /nfs/dbraw/zinc/89/09/32/398890932.db2.gz PCIJTIGWPCTPFF-CMPLNLGQSA-N 1 2 316.361 2.789 20 5 DFBDLO CCc1nnc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)s1 ZINC000595038191 398895735 /nfs/dbraw/zinc/89/57/35/398895735.db2.gz KRRDKCLOUXIBHM-VIFPVBQESA-N 1 2 322.390 2.868 20 5 DFBDLO Cc1nc(CCN(C)c2ccc3c[nH+]ccc3c2[N+](=O)[O-])no1 ZINC000599032526 398910333 /nfs/dbraw/zinc/91/03/33/398910333.db2.gz TZFXYFDTJGKHFG-UHFFFAOYSA-N 1 2 313.317 2.513 20 5 DFBDLO CN(C[C@H]1CCC[C@@H]1O)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599058268 398914509 /nfs/dbraw/zinc/91/45/09/398914509.db2.gz GUCBSHRSJKCLBT-DOMZBBRYSA-N 1 2 301.346 2.740 20 5 DFBDLO CCO[C@@H]1C[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])[C@@H]1OC ZINC000599065886 398915531 /nfs/dbraw/zinc/91/55/31/398915531.db2.gz LRSKILAEIKITDL-LZWOXQAQSA-N 1 2 317.345 2.747 20 5 DFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC[C@@H](n2ccnn2)C1 ZINC000599088423 398919179 /nfs/dbraw/zinc/91/91/79/398919179.db2.gz CVGKNNVKNIXMHW-CYBMUJFWSA-N 1 2 324.344 2.576 20 5 DFBDLO COC(=O)[C@H]1CC[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599082604 398917937 /nfs/dbraw/zinc/91/79/37/398917937.db2.gz WQZXZISHONEHJW-CMPLNLGQSA-N 1 2 315.329 2.897 20 5 DFBDLO O=C(Nc1cccc([N+](=O)[O-])c1)C1CC[NH+](CC(F)F)CC1 ZINC000281091896 216073574 /nfs/dbraw/zinc/07/35/74/216073574.db2.gz DZTIEEYWLBJFHX-UHFFFAOYSA-N 1 2 313.304 2.510 20 5 DFBDLO Cc1nc(N(C)CCc2[nH]c3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000599090602 398919228 /nfs/dbraw/zinc/91/92/28/398919228.db2.gz FONWDGPHOSLWAY-UHFFFAOYSA-N 1 2 311.345 2.853 20 5 DFBDLO Cn1cc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000595304988 398920505 /nfs/dbraw/zinc/92/05/05/398920505.db2.gz FFCPFZQXKLAXOH-AWEZNQCLSA-N 1 2 304.325 2.805 20 5 DFBDLO Cn1cc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000595304988 398920506 /nfs/dbraw/zinc/92/05/06/398920506.db2.gz FFCPFZQXKLAXOH-AWEZNQCLSA-N 1 2 304.325 2.805 20 5 DFBDLO Cc1noc(C[N@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)c1[N+](=O)[O-] ZINC000595309740 398921217 /nfs/dbraw/zinc/92/12/17/398921217.db2.gz BCMHGLOLBGMJSD-GFCCVEGCSA-N 1 2 319.365 2.579 20 5 DFBDLO Cc1noc(C[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)c1[N+](=O)[O-] ZINC000595309740 398921218 /nfs/dbraw/zinc/92/12/18/398921218.db2.gz BCMHGLOLBGMJSD-GFCCVEGCSA-N 1 2 319.365 2.579 20 5 DFBDLO C[C@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@H]1CO ZINC000599111549 398922522 /nfs/dbraw/zinc/92/25/22/398922522.db2.gz JYVGSWQDRXPWPU-AAEUAGOBSA-N 1 2 301.346 2.598 20 5 DFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000595379435 398929665 /nfs/dbraw/zinc/92/96/65/398929665.db2.gz FUAKQAQITTWMSO-QGZVFWFLSA-N 1 2 316.332 2.826 20 5 DFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCc2ccccc2[C@H]1CO ZINC000595379435 398929668 /nfs/dbraw/zinc/92/96/68/398929668.db2.gz FUAKQAQITTWMSO-QGZVFWFLSA-N 1 2 316.332 2.826 20 5 DFBDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595389109 398930889 /nfs/dbraw/zinc/93/08/89/398930889.db2.gz KUEHGZOEMOZAAG-CQSZACIVSA-N 1 2 318.352 2.977 20 5 DFBDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595389109 398930890 /nfs/dbraw/zinc/93/08/90/398930890.db2.gz KUEHGZOEMOZAAG-CQSZACIVSA-N 1 2 318.352 2.977 20 5 DFBDLO CN(CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])CC(F)F ZINC000599204061 398939373 /nfs/dbraw/zinc/93/93/73/398939373.db2.gz ZVTQXLDHIOZIRV-UHFFFAOYSA-N 1 2 310.304 2.752 20 5 DFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@@H](C)[C@H]1C ZINC000292865674 223281338 /nfs/dbraw/zinc/28/13/38/223281338.db2.gz AQTQEYVFGFQOBL-OPRDCNLKSA-N 1 2 311.769 2.915 20 5 DFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@@H](C)[C@H]1C ZINC000292865674 223281339 /nfs/dbraw/zinc/28/13/39/223281339.db2.gz AQTQEYVFGFQOBL-OPRDCNLKSA-N 1 2 311.769 2.915 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)Cc1ccoc1 ZINC000165852968 398992200 /nfs/dbraw/zinc/99/22/00/398992200.db2.gz XXYHYMPGURASQU-UHFFFAOYSA-N 1 2 303.318 2.567 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)Cc1ccoc1 ZINC000165852968 398992207 /nfs/dbraw/zinc/99/22/07/398992207.db2.gz XXYHYMPGURASQU-UHFFFAOYSA-N 1 2 303.318 2.567 20 5 DFBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1Cc2ccc(O)cc2C1 ZINC000599536078 399006230 /nfs/dbraw/zinc/00/62/30/399006230.db2.gz DIFVXMIOQZUUJD-UHFFFAOYSA-N 1 2 300.314 2.695 20 5 DFBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1Cc2ccc(O)cc2C1 ZINC000599536078 399006235 /nfs/dbraw/zinc/00/62/35/399006235.db2.gz DIFVXMIOQZUUJD-UHFFFAOYSA-N 1 2 300.314 2.695 20 5 DFBDLO CCC[C@H]([NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000475103638 299343315 /nfs/dbraw/zinc/34/33/15/299343315.db2.gz YSSHKUKKCRRXAI-RZXPCSSPSA-N 1 2 306.362 2.929 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1NCCCNc1cccc[nH+]1)CCN2 ZINC000275394990 212306938 /nfs/dbraw/zinc/30/69/38/212306938.db2.gz QPGCPVOPDYSNNJ-UHFFFAOYSA-N 1 2 313.361 2.872 20 5 DFBDLO Cc1cccn2cc(CNC(=O)c3csc([N+](=O)[O-])c3)[nH+]c12 ZINC000171821768 399059866 /nfs/dbraw/zinc/05/98/66/399059866.db2.gz GZYYPKKTBIFMNP-UHFFFAOYSA-N 1 2 316.342 2.542 20 5 DFBDLO C[C@H]1[C@H](C(F)(F)F)OCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000595784923 399083514 /nfs/dbraw/zinc/08/35/14/399083514.db2.gz KLJYWKGIGPKRLT-GXFFZTMASA-N 1 2 318.295 2.789 20 5 DFBDLO C[C@H]1[C@H](C(F)(F)F)OCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000595784923 399083522 /nfs/dbraw/zinc/08/35/22/399083522.db2.gz KLJYWKGIGPKRLT-GXFFZTMASA-N 1 2 318.295 2.789 20 5 DFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000595813255 399095045 /nfs/dbraw/zinc/09/50/45/399095045.db2.gz ZGKAFEFKEVISTC-VWYCJHECSA-N 1 2 323.780 2.917 20 5 DFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000595813255 399095048 /nfs/dbraw/zinc/09/50/48/399095048.db2.gz ZGKAFEFKEVISTC-VWYCJHECSA-N 1 2 323.780 2.917 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000618449187 399122300 /nfs/dbraw/zinc/12/23/00/399122300.db2.gz RRNQZGDYMHPCSU-CYBMUJFWSA-N 1 2 314.345 2.577 20 5 DFBDLO CC(=O)c1ccc(NC[C@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000060380113 399126265 /nfs/dbraw/zinc/12/62/65/399126265.db2.gz GHJGLHXEQFKUMH-NSHDSACASA-N 1 2 302.334 2.742 20 5 DFBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@](C)(C(F)F)O1 ZINC000595916737 399135119 /nfs/dbraw/zinc/13/51/19/399135119.db2.gz LGGGASLODFPLPS-QMTHXVAHSA-N 1 2 300.305 2.839 20 5 DFBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@](C)(C(F)F)O1 ZINC000595916737 399135125 /nfs/dbraw/zinc/13/51/25/399135125.db2.gz LGGGASLODFPLPS-QMTHXVAHSA-N 1 2 300.305 2.839 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCCc4n[nH]cc4C3)c2c1 ZINC000596001896 399146108 /nfs/dbraw/zinc/14/61/08/399146108.db2.gz ZEIOYTIBUUDWIM-UHFFFAOYSA-N 1 2 309.329 2.819 20 5 DFBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC2(CCOCC2)O1 ZINC000282461605 217013739 /nfs/dbraw/zinc/01/37/39/217013739.db2.gz JWUZHXBSWAEGAQ-LBPRGKRZSA-N 1 2 324.352 2.504 20 5 DFBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC2(CCOCC2)O1 ZINC000282461605 217013740 /nfs/dbraw/zinc/01/37/40/217013740.db2.gz JWUZHXBSWAEGAQ-LBPRGKRZSA-N 1 2 324.352 2.504 20 5 DFBDLO Cc1cc(NC[C@@H](C(C)C)[NH+]2CCOCC2)c([N+](=O)[O-])s1 ZINC000596068511 399162352 /nfs/dbraw/zinc/16/23/52/399162352.db2.gz XWPXXCFARQGSRP-ZDUSSCGKSA-N 1 2 313.423 2.733 20 5 DFBDLO CCCCc1noc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282510014 217049921 /nfs/dbraw/zinc/04/99/21/217049921.db2.gz RXMJGAUXUYVJDU-UHFFFAOYSA-N 1 2 318.377 2.995 20 5 DFBDLO CCCCc1noc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282510014 217049924 /nfs/dbraw/zinc/04/99/24/217049924.db2.gz RXMJGAUXUYVJDU-UHFFFAOYSA-N 1 2 318.377 2.995 20 5 DFBDLO COC(=O)c1occc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271721617 209156745 /nfs/dbraw/zinc/15/67/45/209156745.db2.gz LAHKRTKHLWPVBL-JTQLQIEISA-N 1 2 304.302 2.825 20 5 DFBDLO CC[C@H](C)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000420657548 296196472 /nfs/dbraw/zinc/19/64/72/296196472.db2.gz WWWAJBBYDWFBHO-ZDUSSCGKSA-N 1 2 307.394 2.885 20 5 DFBDLO C[C@@H](NCc1cn2c([nH+]1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000266831855 205633589 /nfs/dbraw/zinc/63/35/89/205633589.db2.gz DVHSVAGEIDDLFD-GFCCVEGCSA-N 1 2 300.362 2.978 20 5 DFBDLO Cc1nocc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000601141729 399239570 /nfs/dbraw/zinc/23/95/70/399239570.db2.gz GRMQMKPXJNCZKM-UHFFFAOYSA-N 1 2 313.260 2.782 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@H](CC)O1 ZINC000420954798 296217373 /nfs/dbraw/zinc/21/73/73/296217373.db2.gz VHLGBKVBVKPDBE-GASCZTMLSA-N 1 2 308.378 2.993 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@H](CC)O1 ZINC000420954798 296217374 /nfs/dbraw/zinc/21/73/74/296217374.db2.gz VHLGBKVBVKPDBE-GASCZTMLSA-N 1 2 308.378 2.993 20 5 DFBDLO O=C(c1cccc([N+](=O)[O-])c1F)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000373838401 296254822 /nfs/dbraw/zinc/25/48/22/296254822.db2.gz DEMRTTCRMUOAKE-GFCCVEGCSA-N 1 2 318.308 2.824 20 5 DFBDLO Cc1sc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc1[N+](=O)[O-] ZINC000101863024 193844956 /nfs/dbraw/zinc/84/49/56/193844956.db2.gz LMOMWSWPDWSGBL-UHFFFAOYSA-N 1 2 320.374 2.639 20 5 DFBDLO COc1ccc(C[NH2+]Cc2n[nH]c3ccccc32)cc1[N+](=O)[O-] ZINC000608982468 399302331 /nfs/dbraw/zinc/30/23/31/399302331.db2.gz KOZLXGYVNQAYGG-UHFFFAOYSA-N 1 2 312.329 2.770 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC(C)(C)OCC1(C)C ZINC000609672039 399329658 /nfs/dbraw/zinc/32/96/58/399329658.db2.gz VKRMCCGLQDPAQR-UHFFFAOYSA-N 1 2 308.378 2.993 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC(C)(C)OCC1(C)C ZINC000609672039 399329660 /nfs/dbraw/zinc/32/96/60/399329660.db2.gz VKRMCCGLQDPAQR-UHFFFAOYSA-N 1 2 308.378 2.993 20 5 DFBDLO Cn1c(CCNc2cccnc2[N+](=O)[O-])[nH+]c2ccc(F)cc21 ZINC000610279062 399353293 /nfs/dbraw/zinc/35/32/93/399353293.db2.gz NFOFLTPUWYQZGB-UHFFFAOYSA-N 1 2 315.308 2.670 20 5 DFBDLO Cc1[nH+]c2n(c1C)CCN([C@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000610368133 399361504 /nfs/dbraw/zinc/36/15/04/399361504.db2.gz CHVVOSYYFHNPGV-CYBMUJFWSA-N 1 2 300.362 2.985 20 5 DFBDLO O=C(C[N@@H+]1CCC12CCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610433290 399367698 /nfs/dbraw/zinc/36/76/98/399367698.db2.gz GHBCUQGJULDJDH-UHFFFAOYSA-N 1 2 309.753 2.815 20 5 DFBDLO O=C(C[N@H+]1CCC12CCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610433290 399367700 /nfs/dbraw/zinc/36/77/00/399367700.db2.gz GHBCUQGJULDJDH-UHFFFAOYSA-N 1 2 309.753 2.815 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000619715621 399381566 /nfs/dbraw/zinc/38/15/66/399381566.db2.gz OTDKBUCJLXONJE-OAHLLOKOSA-N 1 2 306.362 2.739 20 5 DFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000285188353 218326224 /nfs/dbraw/zinc/32/62/24/218326224.db2.gz CDMJAGNPKCNVJQ-CZUORRHYSA-N 1 2 306.362 2.537 20 5 DFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000285188353 218326226 /nfs/dbraw/zinc/32/62/26/218326226.db2.gz CDMJAGNPKCNVJQ-CZUORRHYSA-N 1 2 306.362 2.537 20 5 DFBDLO CC(C)Cc1noc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000285332481 218386131 /nfs/dbraw/zinc/38/61/31/218386131.db2.gz NZSUFTYFPYKXCC-UHFFFAOYSA-N 1 2 318.377 2.851 20 5 DFBDLO CC(C)Cc1noc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000285332481 218386134 /nfs/dbraw/zinc/38/61/34/218386134.db2.gz NZSUFTYFPYKXCC-UHFFFAOYSA-N 1 2 318.377 2.851 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cs1 ZINC000109759349 194283362 /nfs/dbraw/zinc/28/33/62/194283362.db2.gz ZMHHSXNMALRSSJ-WPRPVWTQSA-N 1 2 310.297 2.544 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cs1 ZINC000109759349 194283364 /nfs/dbraw/zinc/28/33/64/194283364.db2.gz ZMHHSXNMALRSSJ-WPRPVWTQSA-N 1 2 310.297 2.544 20 5 DFBDLO O=[N+]([O-])c1cc(Cl)cnc1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000610929721 399419060 /nfs/dbraw/zinc/41/90/60/399419060.db2.gz KEBVSCYKWDLYBD-UHFFFAOYSA-N 1 2 307.741 2.750 20 5 DFBDLO O=[N+]([O-])c1cc(Cl)cnc1N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000610929721 399419061 /nfs/dbraw/zinc/41/90/61/399419061.db2.gz KEBVSCYKWDLYBD-UHFFFAOYSA-N 1 2 307.741 2.750 20 5 DFBDLO Cn1cc(C[N@H+](Cc2cccc(F)c2)C2CC2)c([N+](=O)[O-])n1 ZINC000602439508 399444093 /nfs/dbraw/zinc/44/40/93/399444093.db2.gz HICLAUIBAAOLHG-UHFFFAOYSA-N 1 2 304.325 2.632 20 5 DFBDLO Cn1cc(C[N@@H+](Cc2cccc(F)c2)C2CC2)c([N+](=O)[O-])n1 ZINC000602439508 399444094 /nfs/dbraw/zinc/44/40/94/399444094.db2.gz HICLAUIBAAOLHG-UHFFFAOYSA-N 1 2 304.325 2.632 20 5 DFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)Cc1[nH]cc[nH+]1 ZINC000611191062 399444581 /nfs/dbraw/zinc/44/45/81/399444581.db2.gz DTNZCJRGICVSGP-UHFFFAOYSA-N 1 2 304.350 2.737 20 5 DFBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1 ZINC000065535711 184362669 /nfs/dbraw/zinc/36/26/69/184362669.db2.gz UGIBXDJWWAGZAF-ZDUSSCGKSA-N 1 2 316.361 2.576 20 5 DFBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1 ZINC000065535711 184362671 /nfs/dbraw/zinc/36/26/71/184362671.db2.gz UGIBXDJWWAGZAF-ZDUSSCGKSA-N 1 2 316.361 2.576 20 5 DFBDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)C2 ZINC000611567449 399492681 /nfs/dbraw/zinc/49/26/81/399492681.db2.gz XRTBQUNIZBAZMP-LLVKDONJSA-N 1 2 314.345 2.678 20 5 DFBDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000611567449 399492685 /nfs/dbraw/zinc/49/26/85/399492685.db2.gz XRTBQUNIZBAZMP-LLVKDONJSA-N 1 2 314.345 2.678 20 5 DFBDLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)c([N+](=O)[O-])n1 ZINC000602681107 399517699 /nfs/dbraw/zinc/51/76/99/399517699.db2.gz JREHAFRCBBUMMN-CQSZACIVSA-N 1 2 322.315 2.944 20 5 DFBDLO Cn1cc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)c([N+](=O)[O-])n1 ZINC000602681107 399517704 /nfs/dbraw/zinc/51/77/04/399517704.db2.gz JREHAFRCBBUMMN-CQSZACIVSA-N 1 2 322.315 2.944 20 5 DFBDLO COc1cc(C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)c([N+](=O)[O-])cc1F ZINC000602884118 399615120 /nfs/dbraw/zinc/61/51/20/399615120.db2.gz ZUHNPEHPHCVTFX-CYBMUJFWSA-N 1 2 320.324 2.803 20 5 DFBDLO COc1cc(C[N@H+]2CCC[C@@H]2c2cn[nH]c2)c([N+](=O)[O-])cc1F ZINC000602884118 399615123 /nfs/dbraw/zinc/61/51/23/399615123.db2.gz ZUHNPEHPHCVTFX-CYBMUJFWSA-N 1 2 320.324 2.803 20 5 DFBDLO Cn1cc(C[NH2+]C2(c3c(F)cccc3F)CCC2)c([N+](=O)[O-])n1 ZINC000602916985 399625895 /nfs/dbraw/zinc/62/58/95/399625895.db2.gz JZWXSUFMYVEXCI-UHFFFAOYSA-N 1 2 322.315 2.776 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000612346128 399629319 /nfs/dbraw/zinc/62/93/19/399629319.db2.gz IEAQIFWBYDNLRX-UHFFFAOYSA-N 1 2 300.318 2.617 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000289735471 221189913 /nfs/dbraw/zinc/18/99/13/221189913.db2.gz KHFGMYONMBQGIB-CVEARBPZSA-N 1 2 320.389 2.993 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000289735471 221189915 /nfs/dbraw/zinc/18/99/15/221189915.db2.gz KHFGMYONMBQGIB-CVEARBPZSA-N 1 2 320.389 2.993 20 5 DFBDLO C[C@@](CO)([NH2+]Cc1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000602963538 399641790 /nfs/dbraw/zinc/64/17/90/399641790.db2.gz XSZFZLCTEDQXQC-INIZCTEOSA-N 1 2 322.311 2.870 20 5 DFBDLO Cc1ccc(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)c(C)[nH+]1 ZINC000612682694 399704611 /nfs/dbraw/zinc/70/46/11/399704611.db2.gz SCMMBBWUFLUFPK-UHFFFAOYSA-N 1 2 315.329 2.990 20 5 DFBDLO C[C@H](c1ccccc1[N+](=O)[O-])n1cc(C[NH+]2CCCCC2)nn1 ZINC000603217660 399713563 /nfs/dbraw/zinc/71/35/63/399713563.db2.gz JHUFGDIPQXQAJV-CYBMUJFWSA-N 1 2 315.377 2.782 20 5 DFBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nnc2n1CCCCC2 ZINC000319751621 533449585 /nfs/dbraw/zinc/44/95/85/533449585.db2.gz JFSGIZZJODDHRZ-GFCCVEGCSA-N 1 2 315.377 2.764 20 5 DFBDLO CN(C)c1cc(CNc2ncc([N+](=O)[O-])cc2Cl)cc[nH+]1 ZINC000301292647 543045319 /nfs/dbraw/zinc/04/53/19/543045319.db2.gz VMBWDGDDLSNBES-UHFFFAOYSA-N 1 2 307.741 2.716 20 5 DFBDLO O=C(/C=C\c1ccccc1[N+](=O)[O-])Nc1ccn2cc[nH+]c2c1 ZINC000492842554 299664879 /nfs/dbraw/zinc/66/48/79/299664879.db2.gz ZMIXDSRBGZDXHL-WAYWQWQTSA-N 1 2 308.297 2.894 20 5 DFBDLO CC[N@H+](Cc1cn(C)nn1)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000359278040 543272819 /nfs/dbraw/zinc/27/28/19/543272819.db2.gz ALPRVXIVELDWQB-UHFFFAOYSA-N 1 2 317.393 2.869 20 5 DFBDLO CC[N@@H+](Cc1cn(C)nn1)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000359278040 543272821 /nfs/dbraw/zinc/27/28/21/543272821.db2.gz ALPRVXIVELDWQB-UHFFFAOYSA-N 1 2 317.393 2.869 20 5 DFBDLO CC[C@](C)([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1nc(C)cs1 ZINC000357072362 147856343 /nfs/dbraw/zinc/85/63/43/147856343.db2.gz QIKLAUNNMJDRSV-ZDUSSCGKSA-N 1 2 309.395 2.508 20 5 DFBDLO Cc1noc(C2(C)CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)n1 ZINC000357784915 148120596 /nfs/dbraw/zinc/12/05/96/148120596.db2.gz ANXFNDNZSDMIOU-UHFFFAOYSA-N 1 2 322.390 2.901 20 5 DFBDLO Cc1c(CN[C@@H](c2[nH]cc[nH+]2)c2cccnc2)cccc1[N+](=O)[O-] ZINC000359000476 148513274 /nfs/dbraw/zinc/51/32/74/148513274.db2.gz HTIUJBMFZIUCQB-MRXNPFEDSA-N 1 2 323.356 2.901 20 5 DFBDLO CC1(C)C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000361509133 149135016 /nfs/dbraw/zinc/13/50/16/149135016.db2.gz AFWNJRYMBICSQB-INIZCTEOSA-N 1 2 324.352 2.504 20 5 DFBDLO CC1(C)C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000361509133 149135018 /nfs/dbraw/zinc/13/50/18/149135018.db2.gz AFWNJRYMBICSQB-INIZCTEOSA-N 1 2 324.352 2.504 20 5 DFBDLO Cc1nc(N[C@@H]2CCCN(c3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000371384999 150035941 /nfs/dbraw/zinc/03/59/41/150035941.db2.gz NYOGKMJPWVSUSX-CYBMUJFWSA-N 1 2 313.361 2.774 20 5 DFBDLO CC(C)OC[C@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000372166619 150144159 /nfs/dbraw/zinc/14/41/59/150144159.db2.gz JLXYPDORWBGRQG-XJKSGUPXSA-N 1 2 308.378 2.782 20 5 DFBDLO CC(C)OC[C@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000372166619 150144161 /nfs/dbraw/zinc/14/41/61/150144161.db2.gz JLXYPDORWBGRQG-XJKSGUPXSA-N 1 2 308.378 2.782 20 5 DFBDLO CN(Cc1csc([N+](=O)[O-])c1)Cc1cn2c([nH+]1)CCCC2 ZINC000372999459 150213931 /nfs/dbraw/zinc/21/39/31/150213931.db2.gz SNQWAEAQBMYBKG-UHFFFAOYSA-N 1 2 306.391 2.821 20 5 DFBDLO CC(C)[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1nncn1C ZINC000352484299 286385793 /nfs/dbraw/zinc/38/57/93/286385793.db2.gz NMSYLTVEPNJKEJ-ZDUSSCGKSA-N 1 2 323.784 2.864 20 5 DFBDLO CC(C)Cn1ncnc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000352776808 286464707 /nfs/dbraw/zinc/46/47/07/286464707.db2.gz DOBGOQRAHYTJRB-GFCCVEGCSA-N 1 2 303.366 2.693 20 5 DFBDLO COc1ccnc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1OC ZINC000276458397 286522761 /nfs/dbraw/zinc/52/27/61/286522761.db2.gz VXAFKOOWYSBULK-NSHDSACASA-N 1 2 317.345 2.858 20 5 DFBDLO O=C(C=Cc1c[nH]c[nH+]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000493750626 299821551 /nfs/dbraw/zinc/82/15/51/299821551.db2.gz IBTFLUPFSSWIPD-YVMONPNESA-N 1 2 312.329 2.522 20 5 DFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000279766884 287152091 /nfs/dbraw/zinc/15/20/91/287152091.db2.gz SHHJDTZAIZSWJY-AWEZNQCLSA-N 1 2 321.421 2.698 20 5 DFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000279766884 287152093 /nfs/dbraw/zinc/15/20/93/287152093.db2.gz SHHJDTZAIZSWJY-AWEZNQCLSA-N 1 2 321.421 2.698 20 5 DFBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000295799618 225251803 /nfs/dbraw/zinc/25/18/03/225251803.db2.gz GANUGCWRUDJDIE-CYBMUJFWSA-N 1 2 314.345 2.552 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c(Cl)c1 ZINC000291245152 222254595 /nfs/dbraw/zinc/25/45/95/222254595.db2.gz LMBSQTKOQYTAPC-SNVBAGLBSA-N 1 2 320.723 2.698 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)c(Cl)c1 ZINC000291245152 222254598 /nfs/dbraw/zinc/25/45/98/222254598.db2.gz LMBSQTKOQYTAPC-SNVBAGLBSA-N 1 2 320.723 2.698 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1CSc1nc(N)cc(C)[nH+]1 ZINC000029913785 425829570 /nfs/dbraw/zinc/82/95/70/425829570.db2.gz OAAFFOCBUQUPME-UHFFFAOYSA-N 1 2 306.347 2.576 20 5 DFBDLO C[C@H]1CCC[C@H](C)N1C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599144 425865522 /nfs/dbraw/zinc/86/55/22/425865522.db2.gz NKKLXILTPSNZGN-KBPBESRZSA-N 1 2 319.405 2.816 20 5 DFBDLO C[C@H]1CCC[C@H](C)N1C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599144 425865523 /nfs/dbraw/zinc/86/55/23/425865523.db2.gz NKKLXILTPSNZGN-KBPBESRZSA-N 1 2 319.405 2.816 20 5 DFBDLO CCC[C@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599596 425865742 /nfs/dbraw/zinc/86/57/42/425865742.db2.gz QOVIRNIHPHAKKO-STQMWFEESA-N 1 2 307.394 2.720 20 5 DFBDLO CCC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599596 425865743 /nfs/dbraw/zinc/86/57/43/425865743.db2.gz QOVIRNIHPHAKKO-STQMWFEESA-N 1 2 307.394 2.720 20 5 DFBDLO CCOC(=O)[C@H](C)[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000191712225 268011337 /nfs/dbraw/zinc/01/13/37/268011337.db2.gz KTGWYMPSDWLQLJ-LBPRGKRZSA-N 1 2 306.362 2.819 20 5 DFBDLO CCOC(=O)[C@H](C)[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000191712225 268011342 /nfs/dbraw/zinc/01/13/42/268011342.db2.gz KTGWYMPSDWLQLJ-LBPRGKRZSA-N 1 2 306.362 2.819 20 5 DFBDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)C ZINC000193534840 268071236 /nfs/dbraw/zinc/07/12/36/268071236.db2.gz GGNWHVZCMAECMZ-UHFFFAOYSA-N 1 2 302.334 2.651 20 5 DFBDLO O=C(NCCCNc1cccc[nH+]1)Nc1cccc([N+](=O)[O-])c1 ZINC000047415334 425869554 /nfs/dbraw/zinc/86/95/54/425869554.db2.gz SSZOGAKKKMUGJH-UHFFFAOYSA-N 1 2 315.333 2.614 20 5 DFBDLO O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(-n2cc[nH+]c2)c1 ZINC000047514615 425869996 /nfs/dbraw/zinc/86/99/96/425869996.db2.gz LLDHZKXLFJRSCW-UHFFFAOYSA-N 1 2 322.324 2.962 20 5 DFBDLO CC[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000125399302 425969803 /nfs/dbraw/zinc/96/98/03/425969803.db2.gz OZSLIDDCMYPUBL-JTQLQIEISA-N 1 2 311.769 2.919 20 5 DFBDLO CC[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000125399302 425969804 /nfs/dbraw/zinc/96/98/04/425969804.db2.gz OZSLIDDCMYPUBL-JTQLQIEISA-N 1 2 311.769 2.919 20 5 DFBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCN1CC(F)(F)F ZINC000127965367 426094913 /nfs/dbraw/zinc/09/49/13/426094913.db2.gz CHHBLRSBDGKWAL-NSHDSACASA-N 1 2 317.311 2.663 20 5 DFBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCN1CC(F)(F)F ZINC000127965367 426094915 /nfs/dbraw/zinc/09/49/15/426094915.db2.gz CHHBLRSBDGKWAL-NSHDSACASA-N 1 2 317.311 2.663 20 5 DFBDLO O=C(C[N@@H+]1CCC[C@H]1c1ccc[nH]1)Nc1ccccc1[N+](=O)[O-] ZINC000077170838 426121489 /nfs/dbraw/zinc/12/14/89/426121489.db2.gz BSNKTFNWLDPRSV-AWEZNQCLSA-N 1 2 314.345 2.699 20 5 DFBDLO O=C(C[N@H+]1CCC[C@H]1c1ccc[nH]1)Nc1ccccc1[N+](=O)[O-] ZINC000077170838 426121493 /nfs/dbraw/zinc/12/14/93/426121493.db2.gz BSNKTFNWLDPRSV-AWEZNQCLSA-N 1 2 314.345 2.699 20 5 DFBDLO COc1cc(C[NH+]2CC(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000338950007 268745534 /nfs/dbraw/zinc/74/55/34/268745534.db2.gz DMSZLEKNNKXQEA-UHFFFAOYSA-N 1 2 316.304 2.699 20 5 DFBDLO CCC[N@H+](CC(=O)N(C)C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174831318 426267439 /nfs/dbraw/zinc/26/74/39/426267439.db2.gz UWVUVIKLHPEYAX-UHFFFAOYSA-N 1 2 313.785 2.548 20 5 DFBDLO CCC[N@@H+](CC(=O)N(C)C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174831318 426267442 /nfs/dbraw/zinc/26/74/42/426267442.db2.gz UWVUVIKLHPEYAX-UHFFFAOYSA-N 1 2 313.785 2.548 20 5 DFBDLO C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H]1C ZINC000177043904 426437511 /nfs/dbraw/zinc/43/75/11/426437511.db2.gz MZXGGEHJNWNBOG-NEPJUHHUSA-N 1 2 314.345 2.651 20 5 DFBDLO CCn1nc(C)c([N+](=O)[O-])c1Sc1[nH+]cc2ccccn21 ZINC000195336006 426517996 /nfs/dbraw/zinc/51/79/96/426517996.db2.gz WFWLOYLWTZZYQC-UHFFFAOYSA-N 1 2 303.347 2.919 20 5 DFBDLO CCC1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000178153536 426578391 /nfs/dbraw/zinc/57/83/91/426578391.db2.gz GLAPCZVUPCBVGK-UHFFFAOYSA-N 1 2 314.345 2.701 20 5 DFBDLO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cn1)c1c(F)cccc1F ZINC000265278811 426613145 /nfs/dbraw/zinc/61/31/45/426613145.db2.gz VXPFRHLWUSMPSN-ZDUSSCGKSA-N 1 2 322.315 2.983 20 5 DFBDLO Cc1cnc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000265434658 426636431 /nfs/dbraw/zinc/63/64/31/426636431.db2.gz OBPZFXJNTSWMHJ-UHFFFAOYSA-N 1 2 318.402 2.682 20 5 DFBDLO C[C@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)CO1 ZINC000245821694 426774391 /nfs/dbraw/zinc/77/43/91/426774391.db2.gz DYZRJPGJURUBNK-RYUDHWBXSA-N 1 2 317.345 2.859 20 5 DFBDLO C[C@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)CO1 ZINC000245821694 426774396 /nfs/dbraw/zinc/77/43/96/426774396.db2.gz DYZRJPGJURUBNK-RYUDHWBXSA-N 1 2 317.345 2.859 20 5 DFBDLO COc1ccc([N+](=O)[O-])c(N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000266397020 426727072 /nfs/dbraw/zinc/72/70/72/426727072.db2.gz OWFRXJVNJXGAAC-UHFFFAOYSA-N 1 2 302.334 2.641 20 5 DFBDLO Cc1ncsc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000179590429 426805999 /nfs/dbraw/zinc/80/59/99/426805999.db2.gz FCMGXWSPSSZSLE-UHFFFAOYSA-N 1 2 318.402 2.682 20 5 DFBDLO CCOC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267076644 426819770 /nfs/dbraw/zinc/81/97/70/426819770.db2.gz WVSAIFISRBAUEP-UHFFFAOYSA-N 1 2 310.325 2.509 20 5 DFBDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000275887288 426943025 /nfs/dbraw/zinc/94/30/25/426943025.db2.gz PUXPAZZEYQQUDD-UHFFFAOYSA-N 1 2 302.334 2.680 20 5 DFBDLO O=[N+]([O-])c1cnc(NCc2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC000190317804 427074676 /nfs/dbraw/zinc/07/46/76/427074676.db2.gz WHOPNCDMEGGQNR-UHFFFAOYSA-N 1 2 315.358 2.908 20 5 DFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](CCO)Cc1cccnc1 ZINC000268691725 427094860 /nfs/dbraw/zinc/09/48/60/427094860.db2.gz OZGSSDMUIFGFPN-ZDUSSCGKSA-N 1 2 301.346 2.545 20 5 DFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](CCO)Cc1cccnc1 ZINC000268691725 427094864 /nfs/dbraw/zinc/09/48/64/427094864.db2.gz OZGSSDMUIFGFPN-ZDUSSCGKSA-N 1 2 301.346 2.545 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(CN2CCC(n3cc[nH+]c3)CC2)c(F)c1 ZINC000284020582 427118786 /nfs/dbraw/zinc/11/87/86/427118786.db2.gz KSAKCXJBXQFZDL-UHFFFAOYSA-N 1 2 322.315 2.907 20 5 DFBDLO CCOCCN1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182751146 427138189 /nfs/dbraw/zinc/13/81/89/427138189.db2.gz AUCCRKOREJKJQK-HNNXBMFYSA-N 1 2 321.421 2.618 20 5 DFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1Cc2ccccc2C1 ZINC000155485141 271053604 /nfs/dbraw/zinc/05/36/04/271053604.db2.gz MXSHZKLZYSTYJR-LBPRGKRZSA-N 1 2 311.341 2.938 20 5 DFBDLO O=[N+]([O-])c1ccc(CCNc2cc(N3CCCC3)nc[nH+]2)cc1 ZINC000277411935 427196339 /nfs/dbraw/zinc/19/63/39/427196339.db2.gz KPDLCVMKGKTISQ-UHFFFAOYSA-N 1 2 313.361 2.640 20 5 DFBDLO O=[N+]([O-])c1ccc(CCNc2cc(N3CCCC3)[nH+]cn2)cc1 ZINC000277411935 427196345 /nfs/dbraw/zinc/19/63/45/427196345.db2.gz KPDLCVMKGKTISQ-UHFFFAOYSA-N 1 2 313.361 2.640 20 5 DFBDLO COC(=O)[C@@H]1CCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000254967375 427227967 /nfs/dbraw/zinc/22/79/67/427227967.db2.gz MYXDZCDZNXROCP-LYASGUKUSA-N 1 2 304.346 2.636 20 5 DFBDLO COC(=O)[C@@H]1CCCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000254967375 427227976 /nfs/dbraw/zinc/22/79/76/427227976.db2.gz MYXDZCDZNXROCP-LYASGUKUSA-N 1 2 304.346 2.636 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H](CCO)c2ccco2)c(F)c1 ZINC000285473758 427244506 /nfs/dbraw/zinc/24/45/06/427244506.db2.gz ZQIMRECNOZKGJA-ZDUSSCGKSA-N 1 2 312.272 2.679 20 5 DFBDLO CC(C)(C)[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1O ZINC000330457039 427244742 /nfs/dbraw/zinc/24/47/42/427244742.db2.gz QDYXAANIJGSHBB-DZGCQCFKSA-N 1 2 308.378 2.529 20 5 DFBDLO CC(C)(C)[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1O ZINC000330457039 427244745 /nfs/dbraw/zinc/24/47/45/427244745.db2.gz QDYXAANIJGSHBB-DZGCQCFKSA-N 1 2 308.378 2.529 20 5 DFBDLO CCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)OCC ZINC000255546485 427277179 /nfs/dbraw/zinc/27/71/79/427277179.db2.gz GIFZIIBPPBIVMO-CLFYSBASSA-N 1 2 306.362 2.883 20 5 DFBDLO CCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)OCC ZINC000255546485 427277183 /nfs/dbraw/zinc/27/71/83/427277183.db2.gz GIFZIIBPPBIVMO-CLFYSBASSA-N 1 2 306.362 2.883 20 5 DFBDLO Cn1nccc1C1=CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000285663631 427304587 /nfs/dbraw/zinc/30/45/87/427304587.db2.gz PWSMMEFNAUQNAZ-UHFFFAOYSA-N 1 2 316.336 2.757 20 5 DFBDLO Cn1nccc1C1=CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000285663631 427304595 /nfs/dbraw/zinc/30/45/95/427304595.db2.gz PWSMMEFNAUQNAZ-UHFFFAOYSA-N 1 2 316.336 2.757 20 5 DFBDLO CCOc1cc(C[N@@H+]2CCO[C@@](C)(CC)C2)ccc1[N+](=O)[O-] ZINC000331162127 427360254 /nfs/dbraw/zinc/36/02/54/427360254.db2.gz LJDLZDFHPAPEJQ-INIZCTEOSA-N 1 2 308.378 2.994 20 5 DFBDLO CCOc1cc(C[N@H+]2CCO[C@@](C)(CC)C2)ccc1[N+](=O)[O-] ZINC000331162127 427360257 /nfs/dbraw/zinc/36/02/57/427360257.db2.gz LJDLZDFHPAPEJQ-INIZCTEOSA-N 1 2 308.378 2.994 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000331543092 427435993 /nfs/dbraw/zinc/43/59/93/427435993.db2.gz HYDQQTUYYXIYIX-CYBMUJFWSA-N 1 2 304.325 2.805 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000331543092 427435997 /nfs/dbraw/zinc/43/59/97/427435997.db2.gz HYDQQTUYYXIYIX-CYBMUJFWSA-N 1 2 304.325 2.805 20 5 DFBDLO Cc1cc(=O)[nH]c([C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000279031607 427536636 /nfs/dbraw/zinc/53/66/36/427536636.db2.gz DOIJEWOTYCWJGC-WDEREUQCSA-N 1 2 302.334 2.811 20 5 DFBDLO COc1ccc(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000294079441 427542333 /nfs/dbraw/zinc/54/23/33/427542333.db2.gz QYEQWIZVSVAYCT-SJORKVTESA-N 1 2 318.373 2.747 20 5 DFBDLO COc1ccc(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000294079441 427542343 /nfs/dbraw/zinc/54/23/43/427542343.db2.gz QYEQWIZVSVAYCT-SJORKVTESA-N 1 2 318.373 2.747 20 5 DFBDLO COc1ccc(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000294079432 427543197 /nfs/dbraw/zinc/54/31/97/427543197.db2.gz QYEQWIZVSVAYCT-DLBZAZTESA-N 1 2 318.373 2.747 20 5 DFBDLO COc1ccc(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000294079432 427543203 /nfs/dbraw/zinc/54/32/03/427543203.db2.gz QYEQWIZVSVAYCT-DLBZAZTESA-N 1 2 318.373 2.747 20 5 DFBDLO COc1ccccc1C[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338897157 427545187 /nfs/dbraw/zinc/54/51/87/427545187.db2.gz FMZKLDIIPQJSNN-UHFFFAOYSA-N 1 2 302.330 2.941 20 5 DFBDLO COc1ccccc1C[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338897157 427545197 /nfs/dbraw/zinc/54/51/97/427545197.db2.gz FMZKLDIIPQJSNN-UHFFFAOYSA-N 1 2 302.330 2.941 20 5 DFBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3cccc(F)c3)CC2)s1 ZINC000192495718 427550459 /nfs/dbraw/zinc/55/04/59/427550459.db2.gz LLJSFJOHYVOFCZ-UHFFFAOYSA-N 1 2 322.365 2.513 20 5 DFBDLO CCCn1ncnc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000279074306 427550684 /nfs/dbraw/zinc/55/06/84/427550684.db2.gz KQOXEHXPTJVHES-GFCCVEGCSA-N 1 2 303.366 2.756 20 5 DFBDLO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000339009977 427622188 /nfs/dbraw/zinc/62/21/88/427622188.db2.gz HKCIJVFREIIHLT-ZBFHGGJFSA-N 1 2 308.378 2.936 20 5 DFBDLO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000339009977 427622196 /nfs/dbraw/zinc/62/21/96/427622196.db2.gz HKCIJVFREIIHLT-ZBFHGGJFSA-N 1 2 308.378 2.936 20 5 DFBDLO COc1cc[nH+]cc1COC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000287265067 427564488 /nfs/dbraw/zinc/56/44/88/427564488.db2.gz SBBGMBCXGBPJMC-UHFFFAOYSA-N 1 2 316.313 2.674 20 5 DFBDLO Cc1cc(=O)[nH]c([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000192727813 427596302 /nfs/dbraw/zinc/59/63/02/427596302.db2.gz QZSNVCUAXSZMDZ-WDEREUQCSA-N 1 2 302.334 2.811 20 5 DFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccoc1 ZINC000342678112 272040634 /nfs/dbraw/zinc/04/06/34/272040634.db2.gz SGSXVJVHJLSWGS-NSHDSACASA-N 1 2 303.318 2.647 20 5 DFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccoc1 ZINC000342678112 272040635 /nfs/dbraw/zinc/04/06/35/272040635.db2.gz SGSXVJVHJLSWGS-NSHDSACASA-N 1 2 303.318 2.647 20 5 DFBDLO Cc1c[nH+]c(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1C ZINC000342777669 272052960 /nfs/dbraw/zinc/05/29/60/272052960.db2.gz HXRUMYGGZHGAIV-UHFFFAOYSA-N 1 2 300.362 2.801 20 5 DFBDLO O=[N+]([O-])c1cccc(CC[NH2+][C@H](c2nnc[nH]2)c2ccccc2)c1 ZINC000343715290 272207091 /nfs/dbraw/zinc/20/70/91/272207091.db2.gz NYQFLGLJMJUPQJ-INIZCTEOSA-N 1 2 323.356 2.635 20 5 DFBDLO CCOC(=O)CC1([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CCCC1 ZINC000339136962 427696319 /nfs/dbraw/zinc/69/63/19/427696319.db2.gz NQBLERFOKJBAAW-UHFFFAOYSA-N 1 2 322.361 2.656 20 5 DFBDLO C[C@@H](CNc1ccc(Cl)cc1[N+](=O)[O-])[N@@H+]1CCOC[C@@H]1C ZINC000301221212 427782685 /nfs/dbraw/zinc/78/26/85/427782685.db2.gz BWVCBGLRHOKKTH-QWRGUYRKSA-N 1 2 313.785 2.769 20 5 DFBDLO C[C@@H](CNc1ccc(Cl)cc1[N+](=O)[O-])[N@H+]1CCOC[C@@H]1C ZINC000301221212 427782686 /nfs/dbraw/zinc/78/26/86/427782686.db2.gz BWVCBGLRHOKKTH-QWRGUYRKSA-N 1 2 313.785 2.769 20 5 DFBDLO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339193398 427725573 /nfs/dbraw/zinc/72/55/73/427725573.db2.gz UNNKPELGRJCXQI-OCCSQVGLSA-N 1 2 308.378 2.816 20 5 DFBDLO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339193398 427725575 /nfs/dbraw/zinc/72/55/75/427725575.db2.gz UNNKPELGRJCXQI-OCCSQVGLSA-N 1 2 308.378 2.816 20 5 DFBDLO Cc1cn2cc(NC(=O)c3ccc([N+](=O)[O-])s3)ccc2[nH+]1 ZINC000339272551 427746866 /nfs/dbraw/zinc/74/68/66/427746866.db2.gz WAFHHTMSMBVBND-UHFFFAOYSA-N 1 2 302.315 2.865 20 5 DFBDLO O=[N+]([O-])c1cc(Cl)cnc1NCc1cn2ccccc2[nH+]1 ZINC000301745971 427821112 /nfs/dbraw/zinc/82/11/12/427821112.db2.gz OZRZHCMECNILGU-UHFFFAOYSA-N 1 2 303.709 2.903 20 5 DFBDLO O=[N+]([O-])c1cnc(N[C@H]2CCN(c3cccc[nH+]3)C2)c(Cl)c1 ZINC000301758044 427822066 /nfs/dbraw/zinc/82/20/66/427822066.db2.gz AXSNHRTXFUZSCA-JTQLQIEISA-N 1 2 319.752 2.729 20 5 DFBDLO Cc1cc(N[C@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301784497 427824390 /nfs/dbraw/zinc/82/43/90/427824390.db2.gz VDUJYBBMPZSXDC-LBPRGKRZSA-N 1 2 300.318 2.561 20 5 DFBDLO COc1cc(NCc2cc[nH+]c(N(C)C)c2)c(F)cc1[N+](=O)[O-] ZINC000301868171 427832009 /nfs/dbraw/zinc/83/20/09/427832009.db2.gz HUXTUBWXZBXZJW-UHFFFAOYSA-N 1 2 320.324 2.816 20 5 DFBDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@]2(CCOC2)O1 ZINC000355665699 427840733 /nfs/dbraw/zinc/84/07/33/427840733.db2.gz VTGMZKJNPQNMCQ-GOEBONIOSA-N 1 2 324.352 2.504 20 5 DFBDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@]2(CCOC2)O1 ZINC000355665699 427840739 /nfs/dbraw/zinc/84/07/39/427840739.db2.gz VTGMZKJNPQNMCQ-GOEBONIOSA-N 1 2 324.352 2.504 20 5 DFBDLO CCOC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)CC(C)C ZINC000350008929 427919595 /nfs/dbraw/zinc/91/95/95/427919595.db2.gz JDZZIGPGJJGEMY-UHFFFAOYSA-N 1 2 308.378 2.924 20 5 DFBDLO CCOC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1C)CC(C)C ZINC000350008929 427919601 /nfs/dbraw/zinc/91/96/01/427919601.db2.gz JDZZIGPGJJGEMY-UHFFFAOYSA-N 1 2 308.378 2.924 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC(OCC(F)F)C3)c2c1 ZINC000413175848 427979765 /nfs/dbraw/zinc/97/97/65/427979765.db2.gz KDSWJWSOAPJZAE-UHFFFAOYSA-N 1 2 309.272 2.613 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000359627694 427942640 /nfs/dbraw/zinc/94/26/40/427942640.db2.gz SVOCFQZASCTVDI-CQSZACIVSA-N 1 2 308.284 2.696 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCC[C@@H]3CCOC3)c2c1 ZINC000413322633 428020688 /nfs/dbraw/zinc/02/06/88/428020688.db2.gz RQTBCXWEQTXRDZ-GFCCVEGCSA-N 1 2 301.346 3.372 20 5 DFBDLO Cc1ccc(CNc2ccc(Cn3cc[nH+]c3)cn2)cc1[N+](=O)[O-] ZINC000351567022 428102336 /nfs/dbraw/zinc/10/23/36/428102336.db2.gz IIGDVNKBEOHADA-UHFFFAOYSA-N 1 2 323.356 3.155 20 5 DFBDLO COc1ccc(NC(=O)c2ccc3[nH+]ccn3c2)cc1[N+](=O)[O-] ZINC000360003229 428109526 /nfs/dbraw/zinc/10/95/26/428109526.db2.gz IBEXTAUNCAOLLT-UHFFFAOYSA-N 1 2 312.285 2.503 20 5 DFBDLO Cc1ccc([C@H]2CCCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000370046346 428117622 /nfs/dbraw/zinc/11/76/22/428117622.db2.gz QVABCOKFVMKITG-GFCCVEGCSA-N 1 2 304.350 2.957 20 5 DFBDLO Cc1ccc([C@H]2CCCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000370046346 428117626 /nfs/dbraw/zinc/11/76/26/428117626.db2.gz QVABCOKFVMKITG-GFCCVEGCSA-N 1 2 304.350 2.957 20 5 DFBDLO Cc1nc([C@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)no1 ZINC000377495143 428142115 /nfs/dbraw/zinc/14/21/15/428142115.db2.gz JOHWRHIQZZWCPE-CQSZACIVSA-N 1 2 302.334 2.666 20 5 DFBDLO Cc1nc([C@H]2CCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)no1 ZINC000377495143 428142121 /nfs/dbraw/zinc/14/21/21/428142121.db2.gz JOHWRHIQZZWCPE-CQSZACIVSA-N 1 2 302.334 2.666 20 5 DFBDLO Cn1nncc1C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352579998 428157020 /nfs/dbraw/zinc/15/70/20/428157020.db2.gz ICAACVAESKXNOD-KRWDZBQOSA-N 1 2 323.356 2.603 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC=C(c2cccc(F)c2)CC1 ZINC000370234471 428164781 /nfs/dbraw/zinc/16/47/81/428164781.db2.gz BGXTZEHTLCSADS-UHFFFAOYSA-N 1 2 316.336 2.757 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC=C(c2cccc(F)c2)CC1 ZINC000370234471 428164783 /nfs/dbraw/zinc/16/47/83/428164783.db2.gz BGXTZEHTLCSADS-UHFFFAOYSA-N 1 2 316.336 2.757 20 5 DFBDLO Cc1ncsc1C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621254 428173571 /nfs/dbraw/zinc/17/35/71/428173571.db2.gz NYTWOXBNOTWTGK-UHFFFAOYSA-N 1 2 305.359 2.754 20 5 DFBDLO Cc1ncsc1C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352621254 428173574 /nfs/dbraw/zinc/17/35/74/428173574.db2.gz NYTWOXBNOTWTGK-UHFFFAOYSA-N 1 2 305.359 2.754 20 5 DFBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000341867719 428234053 /nfs/dbraw/zinc/23/40/53/428234053.db2.gz DAMOWCFVNIFWJK-UHFFFAOYSA-N 1 2 322.324 2.711 20 5 DFBDLO COc1cc(C[NH2+][C@@H](C)c2nccs2)c([N+](=O)[O-])cc1O ZINC000414497914 428322293 /nfs/dbraw/zinc/32/22/93/428322293.db2.gz VDQAJDJPICDWJN-QMMMGPOBSA-N 1 2 309.347 2.616 20 5 DFBDLO Cc1sc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1[N+](=O)[O-] ZINC000378080714 428303352 /nfs/dbraw/zinc/30/33/52/428303352.db2.gz VCUSZWPLCWWYJC-UHFFFAOYSA-N 1 2 320.374 2.708 20 5 DFBDLO Cc1sc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000378080714 428303356 /nfs/dbraw/zinc/30/33/56/428303356.db2.gz VCUSZWPLCWWYJC-UHFFFAOYSA-N 1 2 320.374 2.708 20 5 DFBDLO Cc1cc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000378398383 428388852 /nfs/dbraw/zinc/38/88/52/428388852.db2.gz FJHCMHCIABQQBY-CYBMUJFWSA-N 1 2 300.318 2.604 20 5 DFBDLO Cc1ccc(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1[N+](=O)[O-] ZINC000357119220 428397812 /nfs/dbraw/zinc/39/78/12/428397812.db2.gz SRWPBLXCUOBFFG-UHFFFAOYSA-N 1 2 323.312 2.736 20 5 DFBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378514846 428416770 /nfs/dbraw/zinc/41/67/70/428416770.db2.gz CBKVCFYUKOTPPC-AWEZNQCLSA-N 1 2 314.345 2.614 20 5 DFBDLO C[N@H+]1Cc2ccccc2[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000361171170 428544361 /nfs/dbraw/zinc/54/43/61/428544361.db2.gz TVPWYCBGJHRONK-CQSZACIVSA-N 1 2 303.387 2.933 20 5 DFBDLO C[N@@H+]1Cc2ccccc2[C@H](NCc2csc([N+](=O)[O-])c2)C1 ZINC000361171170 428544366 /nfs/dbraw/zinc/54/43/66/428544366.db2.gz TVPWYCBGJHRONK-CQSZACIVSA-N 1 2 303.387 2.933 20 5 DFBDLO Cc1nc(N2CCOc3ccc([N+](=O)[O-])cc3C2)c(C)c(C)[nH+]1 ZINC000357825274 428565792 /nfs/dbraw/zinc/56/57/92/428565792.db2.gz IQOSIJUTALKTGO-UHFFFAOYSA-N 1 2 314.345 2.709 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000373736915 428642311 /nfs/dbraw/zinc/64/23/11/428642311.db2.gz PSGRSVZKOJRYOA-GJZGRUSLSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000373736915 428642318 /nfs/dbraw/zinc/64/23/18/428642318.db2.gz PSGRSVZKOJRYOA-GJZGRUSLSA-N 1 2 306.362 2.747 20 5 DFBDLO O=C(NCc1ccccc1[N+](=O)[O-])Nc1ccn2cc[nH+]c2c1 ZINC000353681589 428656819 /nfs/dbraw/zinc/65/68/19/428656819.db2.gz WBZPWVYKCZBWQM-UHFFFAOYSA-N 1 2 311.301 2.564 20 5 DFBDLO COc1cc[nH+]cc1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000348253817 428680898 /nfs/dbraw/zinc/68/08/98/428680898.db2.gz FUKZYNKUHGNZSW-UHFFFAOYSA-N 1 2 321.720 2.582 20 5 DFBDLO Cc1cc(N2CCn3cc[nH+]c3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000345112285 428757328 /nfs/dbraw/zinc/75/73/28/428757328.db2.gz KODRHWZHSLRTSP-UHFFFAOYSA-N 1 2 309.329 2.668 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCO[C@@H](CF)C1 ZINC000411859529 428871547 /nfs/dbraw/zinc/87/15/47/428871547.db2.gz OVWJWAPWKWGCEH-AWEZNQCLSA-N 1 2 312.341 2.554 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCO[C@@H](CF)C1 ZINC000411859529 428871551 /nfs/dbraw/zinc/87/15/51/428871551.db2.gz OVWJWAPWKWGCEH-AWEZNQCLSA-N 1 2 312.341 2.554 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)cs1 ZINC000411934775 428886658 /nfs/dbraw/zinc/88/66/58/428886658.db2.gz HUBILEKWNLLYSM-ZIAGYGMSSA-N 1 2 304.371 2.964 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)cs1 ZINC000411934775 428886665 /nfs/dbraw/zinc/88/66/65/428886665.db2.gz HUBILEKWNLLYSM-ZIAGYGMSSA-N 1 2 304.371 2.964 20 5 DFBDLO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1noc(C2CC2)n1 ZINC000412080257 428945799 /nfs/dbraw/zinc/94/57/99/428945799.db2.gz VKQIOQJJZAHGOY-UHFFFAOYSA-N 1 2 302.334 2.530 20 5 DFBDLO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1noc(C2CC2)n1 ZINC000412080257 428945805 /nfs/dbraw/zinc/94/58/05/428945805.db2.gz VKQIOQJJZAHGOY-UHFFFAOYSA-N 1 2 302.334 2.530 20 5 DFBDLO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000349576347 429006985 /nfs/dbraw/zinc/00/69/85/429006985.db2.gz FANXUFWFSOCXDX-INIZCTEOSA-N 1 2 301.346 2.976 20 5 DFBDLO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000349576347 429006989 /nfs/dbraw/zinc/00/69/89/429006989.db2.gz FANXUFWFSOCXDX-INIZCTEOSA-N 1 2 301.346 2.976 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000355551468 429051770 /nfs/dbraw/zinc/05/17/70/429051770.db2.gz ILPYFJJHEPIRET-UHFFFAOYSA-N 1 2 322.409 2.642 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCC[C@H](O)C(F)(F)F)c2c1 ZINC000413142889 429149346 /nfs/dbraw/zinc/14/93/46/429149346.db2.gz RKHDEESZJYUYOD-NSHDSACASA-N 1 2 315.251 2.868 20 5 DFBDLO CS[C@H](CO)[C@@H](C)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413160866 429154018 /nfs/dbraw/zinc/15/40/18/429154018.db2.gz YOXZWMDQUGPCMN-NOZJJQNGSA-N 1 2 307.375 2.667 20 5 DFBDLO Cc1cn2c([nH+]1)[C@@H](CNc1ccc(N)cc1[N+](=O)[O-])CCC2 ZINC000376404171 429107710 /nfs/dbraw/zinc/10/77/10/429107710.db2.gz VHQWANZCSJLPMN-LLVKDONJSA-N 1 2 301.350 2.671 20 5 DFBDLO Cc1n[nH]cc1CCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413048841 429127425 /nfs/dbraw/zinc/12/74/25/429127425.db2.gz XJQRZYSQWFJABP-UHFFFAOYSA-N 1 2 311.345 3.219 20 5 DFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000456360191 429288308 /nfs/dbraw/zinc/28/83/08/429288308.db2.gz RKDQOMRNICTYIS-SECBINFHSA-N 1 2 322.752 2.956 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)OC[C@@H]1CC ZINC000505617472 429341617 /nfs/dbraw/zinc/34/16/17/429341617.db2.gz ZBABVKRFDRHWMC-JSGCOSHPSA-N 1 2 308.378 2.993 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)OC[C@@H]1CC ZINC000505617472 429341622 /nfs/dbraw/zinc/34/16/22/429341622.db2.gz ZBABVKRFDRHWMC-JSGCOSHPSA-N 1 2 308.378 2.993 20 5 DFBDLO Cc1c[nH+]ccc1NC(=O)C=Cc1ccc(F)cc1[N+](=O)[O-] ZINC000491277760 429343245 /nfs/dbraw/zinc/34/32/45/429343245.db2.gz KCXLIEOVOUGOJG-HYXAFXHYSA-N 1 2 301.277 2.511 20 5 DFBDLO Cc1csc([C@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)n1 ZINC000365715473 429362474 /nfs/dbraw/zinc/36/24/74/429362474.db2.gz AFWRELWKVXQEJT-CYBMUJFWSA-N 1 2 321.406 2.783 20 5 DFBDLO Cc1csc([C@H]2CCCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)n1 ZINC000365715473 429362478 /nfs/dbraw/zinc/36/24/78/429362478.db2.gz AFWRELWKVXQEJT-CYBMUJFWSA-N 1 2 321.406 2.783 20 5 DFBDLO C[N@@H+]1CCO[C@H](CSc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000519147158 429448233 /nfs/dbraw/zinc/44/82/33/429448233.db2.gz KIWOKSFSHKBZBO-JTQLQIEISA-N 1 2 302.783 2.671 20 5 DFBDLO C[N@H+]1CCO[C@H](CSc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000519147158 429448238 /nfs/dbraw/zinc/44/82/38/429448238.db2.gz KIWOKSFSHKBZBO-JTQLQIEISA-N 1 2 302.783 2.671 20 5 DFBDLO CC/C=C\C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000449452357 429421800 /nfs/dbraw/zinc/42/18/00/429421800.db2.gz FTTJBSGKYOBIOE-XVWMLYKFSA-N 1 2 300.362 2.974 20 5 DFBDLO CCN1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C(C)(C)C1=O ZINC000428487040 429529566 /nfs/dbraw/zinc/52/95/66/429529566.db2.gz VEIXFEXZYVXFTP-VQHVLOKHSA-N 1 2 317.389 2.551 20 5 DFBDLO CCN1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C(C)(C)C1=O ZINC000428487040 429529567 /nfs/dbraw/zinc/52/95/67/429529567.db2.gz VEIXFEXZYVXFTP-VQHVLOKHSA-N 1 2 317.389 2.551 20 5 DFBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1cc(F)ccc1[N+](=O)[O-] ZINC000366837944 429524217 /nfs/dbraw/zinc/52/42/17/429524217.db2.gz YUJUABRHUPACHM-UHFFFAOYSA-N 1 2 304.325 2.903 20 5 DFBDLO O=C(N[C@@H]1CC=CCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449901768 429534175 /nfs/dbraw/zinc/53/41/75/429534175.db2.gz XWAUBKMAEJOXER-CYBMUJFWSA-N 1 2 312.329 2.619 20 5 DFBDLO C[N@H+](CCOc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000429719683 429629509 /nfs/dbraw/zinc/62/95/09/429629509.db2.gz UPWQXOOANMXDSK-UHFFFAOYSA-N 1 2 302.330 2.811 20 5 DFBDLO C[N@@H+](CCOc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000429719683 429629513 /nfs/dbraw/zinc/62/95/13/429629513.db2.gz UPWQXOOANMXDSK-UHFFFAOYSA-N 1 2 302.330 2.811 20 5 DFBDLO COc1ccnc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000450689909 429678338 /nfs/dbraw/zinc/67/83/38/429678338.db2.gz YMNLAXMCMIKHPE-LLVKDONJSA-N 1 2 302.334 2.553 20 5 DFBDLO CC(C)c1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000527123925 429726039 /nfs/dbraw/zinc/72/60/39/429726039.db2.gz JIDMEBALJZXYIQ-UHFFFAOYSA-N 1 2 314.345 2.612 20 5 DFBDLO CCC[C@@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000483823664 429737864 /nfs/dbraw/zinc/73/78/64/429737864.db2.gz PXXZPZBUODGLGJ-TZMCWYRMSA-N 1 2 308.378 2.847 20 5 DFBDLO O=C(/C=C\c1[nH]cc[nH+]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000493356325 429743918 /nfs/dbraw/zinc/74/39/18/429743918.db2.gz RGCKBHINMRHXNA-FPLPWBNLSA-N 1 2 312.329 2.522 20 5 DFBDLO CCOc1cc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000493547075 429783913 /nfs/dbraw/zinc/78/39/13/429783913.db2.gz NPNAZOAVVKZJOB-YNEHKIRRSA-N 1 2 308.378 2.991 20 5 DFBDLO CCOc1cc(C[N@H+]2C[C@H](C)O[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000493547075 429783916 /nfs/dbraw/zinc/78/39/16/429783916.db2.gz NPNAZOAVVKZJOB-YNEHKIRRSA-N 1 2 308.378 2.991 20 5 DFBDLO CO[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000451580366 429857848 /nfs/dbraw/zinc/85/78/48/429857848.db2.gz ZSIAQULTKNCLTB-YMTOWFKASA-N 1 2 300.305 2.730 20 5 DFBDLO CO[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000451580366 429857852 /nfs/dbraw/zinc/85/78/52/429857852.db2.gz ZSIAQULTKNCLTB-YMTOWFKASA-N 1 2 300.305 2.730 20 5 DFBDLO C[C@@H](Nc1c(Cl)cccc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000432308879 429812856 /nfs/dbraw/zinc/81/28/56/429812856.db2.gz UZQFNHYTDZOLSL-MNOVXSKESA-N 1 2 313.785 2.769 20 5 DFBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3ccnc(Cl)c3)C2)c1 ZINC000369017250 429907664 /nfs/dbraw/zinc/90/76/64/429907664.db2.gz NRLMYBQPIBMSMM-LBPRGKRZSA-N 1 2 321.768 2.677 20 5 DFBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3ccnc(Cl)c3)C2)c1 ZINC000369017250 429907665 /nfs/dbraw/zinc/90/76/65/429907665.db2.gz NRLMYBQPIBMSMM-LBPRGKRZSA-N 1 2 321.768 2.677 20 5 DFBDLO Nc1c(C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)cccc1[N+](=O)[O-] ZINC000531385910 430139470 /nfs/dbraw/zinc/13/94/70/430139470.db2.gz XZCRRWVXQKUNIR-UHFFFAOYSA-N 1 2 323.312 2.819 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCC[C@H]3CCCOC3)c2c1 ZINC000599117470 430527246 /nfs/dbraw/zinc/52/72/46/430527246.db2.gz UTVNKWSLUZQBNK-GFCCVEGCSA-N 1 2 301.346 3.372 20 5 DFBDLO CC(=O)c1cc(NCCCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000553180834 430610462 /nfs/dbraw/zinc/61/04/62/430610462.db2.gz KBDDDOHYQRRGFP-UHFFFAOYSA-N 1 2 302.334 2.886 20 5 DFBDLO Cc1csc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000170999966 279040499 /nfs/dbraw/zinc/04/04/99/279040499.db2.gz HIENKQKBKCYBRS-UHFFFAOYSA-N 1 2 318.402 2.682 20 5 DFBDLO C[C@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H](c2ccco2)C1 ZINC000363355273 289082100 /nfs/dbraw/zinc/08/21/00/289082100.db2.gz FQAGAJCDKNKXAF-RYUDHWBXSA-N 1 2 304.350 2.895 20 5 DFBDLO C[C@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H](c2ccco2)C1 ZINC000363355273 289082103 /nfs/dbraw/zinc/08/21/03/289082103.db2.gz FQAGAJCDKNKXAF-RYUDHWBXSA-N 1 2 304.350 2.895 20 5 DFBDLO CCn1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000154304243 295296518 /nfs/dbraw/zinc/29/65/18/295296518.db2.gz AWFUCTBDQRBWGI-UHFFFAOYSA-N 1 2 300.362 2.976 20 5 DFBDLO CCn1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000154304243 295296521 /nfs/dbraw/zinc/29/65/21/295296521.db2.gz AWFUCTBDQRBWGI-UHFFFAOYSA-N 1 2 300.362 2.976 20 5 DFBDLO Cc1nn(C)cc1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154301909 295296663 /nfs/dbraw/zinc/29/66/63/295296663.db2.gz NDSJESDJERTKIN-UHFFFAOYSA-N 1 2 300.362 2.801 20 5 DFBDLO Cc1nn(C)cc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154301909 295296666 /nfs/dbraw/zinc/29/66/66/295296666.db2.gz NDSJESDJERTKIN-UHFFFAOYSA-N 1 2 300.362 2.801 20 5 DFBDLO CN(CCCn1cc[nH+]c1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000155128479 295313330 /nfs/dbraw/zinc/31/33/30/295313330.db2.gz LLCQXPPTYZQBRI-UHFFFAOYSA-N 1 2 322.752 2.607 20 5 DFBDLO COc1ccc(C[N@@H+]2CCc3ncsc3C2)cc1[N+](=O)[O-] ZINC000438355804 297090189 /nfs/dbraw/zinc/09/01/89/297090189.db2.gz SWHBIADRXLHZPG-UHFFFAOYSA-N 1 2 305.359 2.618 20 5 DFBDLO COc1ccc(C[N@H+]2CCc3ncsc3C2)cc1[N+](=O)[O-] ZINC000438355804 297090190 /nfs/dbraw/zinc/09/01/90/297090190.db2.gz SWHBIADRXLHZPG-UHFFFAOYSA-N 1 2 305.359 2.618 20 5 DFBDLO CC(C)c1ccc(C(=O)N(C)Cc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000439517044 297130396 /nfs/dbraw/zinc/13/03/96/297130396.db2.gz HCTUTVPBNJSOJV-UHFFFAOYSA-N 1 2 302.334 2.714 20 5 DFBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1NCC[N@H+]1CCOC[C@H]1C ZINC000444826937 297253509 /nfs/dbraw/zinc/25/35/09/297253509.db2.gz PQFBBZLQFFZDSM-LLVKDONJSA-N 1 2 313.785 2.689 20 5 DFBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1NCC[N@@H+]1CCOC[C@H]1C ZINC000444826937 297253511 /nfs/dbraw/zinc/25/35/11/297253511.db2.gz PQFBBZLQFFZDSM-LLVKDONJSA-N 1 2 313.785 2.689 20 5 DFBDLO O=[N+]([O-])c1ccccc1CN[C@H](c1[nH]cc[nH+]1)c1ccccn1 ZINC000447573372 297308866 /nfs/dbraw/zinc/30/88/66/297308866.db2.gz HLYZEKLNARZLBB-HNNXBMFYSA-N 1 2 309.329 2.592 20 5 DFBDLO CCO[C@@H](CC[NH+]=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)C(C)C ZINC000447687541 297313217 /nfs/dbraw/zinc/31/32/17/297313217.db2.gz UYIIEZKLIAMJIV-AWEZNQCLSA-N 1 2 306.366 2.756 20 5 DFBDLO O=C(NCC1CCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448679655 297355755 /nfs/dbraw/zinc/35/57/55/297355755.db2.gz FAVYDUQXQMQRKE-UHFFFAOYSA-N 1 2 314.345 2.701 20 5 DFBDLO CCn1cc[nH+]c1[C@@H](C)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000450831382 297696742 /nfs/dbraw/zinc/69/67/42/297696742.db2.gz PONHTTWSPBIUCL-MRVPVSSYSA-N 1 2 306.351 2.694 20 5 DFBDLO CC1(C)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451755303 297870537 /nfs/dbraw/zinc/87/05/37/297870537.db2.gz FMNGWEHNMWGEHS-AWEZNQCLSA-N 1 2 314.345 2.699 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000454137622 298124777 /nfs/dbraw/zinc/12/47/77/298124777.db2.gz BUWCWDUHGAGKEZ-GXFFZTMASA-N 1 2 315.333 2.927 20 5 DFBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc4c(n3)CCC4)nc2c1 ZINC000517015685 300377146 /nfs/dbraw/zinc/37/71/46/300377146.db2.gz QTWURHIKWXYGMK-UHFFFAOYSA-N 1 2 323.356 2.645 20 5 DFBDLO CC(C)n1cc[nH+]c1CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000536001011 301266062 /nfs/dbraw/zinc/26/60/62/301266062.db2.gz ZDJMAVWXOGPRFU-UHFFFAOYSA-N 1 2 300.362 2.931 20 5 DFBDLO C[C@H](C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21)c1cccc([N+](=O)[O-])c1 ZINC000560460108 301897483 /nfs/dbraw/zinc/89/74/83/301897483.db2.gz HNLPPBKYKBBOPU-MJVIPROJSA-N 1 2 314.345 2.717 20 5 DFBDLO CSc1ccc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000563285352 302058940 /nfs/dbraw/zinc/05/89/40/302058940.db2.gz ZAVKHQDGNULWIK-UHFFFAOYSA-N 1 2 320.374 2.705 20 5 DFBDLO C[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000567993222 302407690 /nfs/dbraw/zinc/40/76/90/302407690.db2.gz IQMZCSOIJVENAR-RYUDHWBXSA-N 1 2 302.334 2.620 20 5 DFBDLO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000572899042 302684505 /nfs/dbraw/zinc/68/45/05/302684505.db2.gz RJJBDZOWHBAEGD-GFCCVEGCSA-N 1 2 320.393 2.694 20 5 DFBDLO O=[N+]([O-])c1ccc(-c2noc(Cc3cn4ccccc4[nH+]3)n2)cc1 ZINC000349803583 316367828 /nfs/dbraw/zinc/36/78/28/316367828.db2.gz JNNPWXJNJSESMA-UHFFFAOYSA-N 1 2 321.296 2.883 20 5 DFBDLO O=[N+]([O-])c1ccc(-c2nc(-c3ccn4c[nH+]cc4c3)no2)cc1O ZINC000351041523 316455943 /nfs/dbraw/zinc/45/59/43/316455943.db2.gz BAIDDXVWBFTZKD-UHFFFAOYSA-N 1 2 323.268 2.665 20 5 DFBDLO COC(=O)[C@H](CC1CC1)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414487799 316606986 /nfs/dbraw/zinc/60/69/86/316606986.db2.gz LEJKPBOLHJGKEO-WFASDCNBSA-N 1 2 320.389 2.847 20 5 DFBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CC1(C)C ZINC000489322219 317454246 /nfs/dbraw/zinc/45/42/46/317454246.db2.gz GXGUJPVHNLQQBG-AWEZNQCLSA-N 1 2 314.345 2.651 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)c(F)c1 ZINC000576921877 318159038 /nfs/dbraw/zinc/15/90/38/318159038.db2.gz UZUUSYYYQZXPCB-IUODEOHRSA-N 1 2 324.327 2.874 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)c(F)c1 ZINC000576921877 318159040 /nfs/dbraw/zinc/15/90/40/318159040.db2.gz UZUUSYYYQZXPCB-IUODEOHRSA-N 1 2 324.327 2.874 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)c(F)c1 ZINC000576921879 318159160 /nfs/dbraw/zinc/15/91/60/318159160.db2.gz UZUUSYYYQZXPCB-WFASDCNBSA-N 1 2 324.327 2.874 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)c(F)c1 ZINC000576921879 318159161 /nfs/dbraw/zinc/15/91/61/318159161.db2.gz UZUUSYYYQZXPCB-WFASDCNBSA-N 1 2 324.327 2.874 20 5 DFBDLO COc1cc(C[N@@H+]2CCOC[C@H]2C2CCC2)ccc1[N+](=O)[O-] ZINC000579469651 318332432 /nfs/dbraw/zinc/33/24/32/318332432.db2.gz CLLDVSGIXXCNQK-HNNXBMFYSA-N 1 2 306.362 2.604 20 5 DFBDLO COc1cc(C[N@H+]2CCOC[C@H]2C2CCC2)ccc1[N+](=O)[O-] ZINC000579469651 318332434 /nfs/dbraw/zinc/33/24/34/318332434.db2.gz CLLDVSGIXXCNQK-HNNXBMFYSA-N 1 2 306.362 2.604 20 5 DFBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)(C)C ZINC000579481087 318334278 /nfs/dbraw/zinc/33/42/78/318334278.db2.gz SMJPHPARDCAXJL-LLVKDONJSA-N 1 2 316.361 2.945 20 5 DFBDLO [NH3+][C@H]1CCCCCC[C@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000584528233 337356176 /nfs/dbraw/zinc/35/61/76/337356176.db2.gz IIMLWKRTQLLBIN-NEPJUHHUSA-N 1 2 307.350 2.537 20 5 DFBDLO O=[N+]([O-])c1ccc2[nH]c(NCc3cn4c([nH+]3)CCCC4)nc2c1 ZINC000278338332 214099907 /nfs/dbraw/zinc/09/99/07/214099907.db2.gz CIEGVMCSWWPOOD-UHFFFAOYSA-N 1 2 312.333 2.616 20 5 DFBDLO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000090224226 185287175 /nfs/dbraw/zinc/28/71/75/185287175.db2.gz NYKLBUQVRALTCH-RISCZKNCSA-N 1 2 315.377 2.989 20 5 DFBDLO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000090223823 185287224 /nfs/dbraw/zinc/28/72/24/185287224.db2.gz JYNZKADSYFXQGD-SMDDNHRTSA-N 1 2 315.377 2.989 20 5 DFBDLO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090224343 185287329 /nfs/dbraw/zinc/28/73/29/185287329.db2.gz PVMJWYGAHBICCK-IINYFYTJSA-N 1 2 301.350 2.680 20 5 DFBDLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083173182 398384763 /nfs/dbraw/zinc/38/47/63/398384763.db2.gz GMTDCZUEFZCURV-CYBMUJFWSA-N 1 2 319.361 2.983 20 5 DFBDLO CC(C)C[C@@H]1COCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083173182 398384767 /nfs/dbraw/zinc/38/47/67/398384767.db2.gz GMTDCZUEFZCURV-CYBMUJFWSA-N 1 2 319.361 2.983 20 5 DFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(Cc3ccsc3)CC2)cc1 ZINC000015105863 398392834 /nfs/dbraw/zinc/39/28/34/398392834.db2.gz PYAUOHNPSZWZJF-UHFFFAOYSA-N 1 2 317.414 2.974 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](CCO)c1ccccc1F ZINC000592161973 398395064 /nfs/dbraw/zinc/39/50/64/398395064.db2.gz TXCSXMUHAKHDRD-OAHLLOKOSA-N 1 2 320.320 2.653 20 5 DFBDLO COc1ccc(C[N@@H+]2C[C@H](C)OC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000592186949 398398497 /nfs/dbraw/zinc/39/84/97/398398497.db2.gz DXQZPHSWQFRWQE-LBPRGKRZSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1ccc(C[N@H+]2C[C@H](C)OC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000592186949 398398501 /nfs/dbraw/zinc/39/85/01/398398501.db2.gz DXQZPHSWQFRWQE-LBPRGKRZSA-N 1 2 306.362 2.747 20 5 DFBDLO C[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000592191164 398399822 /nfs/dbraw/zinc/39/98/22/398399822.db2.gz ASHLJTLYKPLPOF-LBPRGKRZSA-N 1 2 306.362 2.834 20 5 DFBDLO C[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000592191164 398399825 /nfs/dbraw/zinc/39/98/25/398399825.db2.gz ASHLJTLYKPLPOF-LBPRGKRZSA-N 1 2 306.362 2.834 20 5 DFBDLO CC[C@@H]([NH2+]Cc1nnc(C)n1CC)c1cccc([N+](=O)[O-])c1 ZINC000181530457 199311617 /nfs/dbraw/zinc/31/16/17/199311617.db2.gz HJLWQHYTLJSAOO-CQSZACIVSA-N 1 2 303.366 2.756 20 5 DFBDLO CCN(CC)c1ccc(CNc2ccncc2[N+](=O)[O-])c[nH+]1 ZINC000066809134 398400012 /nfs/dbraw/zinc/40/00/12/398400012.db2.gz NXEULAURPOIEIV-UHFFFAOYSA-N 1 2 301.350 2.843 20 5 DFBDLO COCc1noc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000183096945 199536272 /nfs/dbraw/zinc/53/62/72/199536272.db2.gz MGMYCSFPKZWBMX-MNOVXSKESA-N 1 2 320.349 2.844 20 5 DFBDLO C[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@H](C)C1O ZINC000596470390 398421892 /nfs/dbraw/zinc/42/18/92/398421892.db2.gz UAZQBPRHLFXBCG-GHMZBOCLSA-N 1 2 301.346 2.596 20 5 DFBDLO COC(=O)c1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])oc1C ZINC000026346717 398452510 /nfs/dbraw/zinc/45/25/10/398452510.db2.gz OMEJHZKOCRFVAX-UHFFFAOYSA-N 1 2 318.329 2.915 20 5 DFBDLO COC(=O)c1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])oc1C ZINC000026346717 398452513 /nfs/dbraw/zinc/45/25/13/398452513.db2.gz OMEJHZKOCRFVAX-UHFFFAOYSA-N 1 2 318.329 2.915 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c(F)c1 ZINC000586760903 398454414 /nfs/dbraw/zinc/45/44/14/398454414.db2.gz QNLYEBTYDILMBK-JTQLQIEISA-N 1 2 322.315 2.976 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c(F)c1 ZINC000586760903 398454416 /nfs/dbraw/zinc/45/44/16/398454416.db2.gz QNLYEBTYDILMBK-JTQLQIEISA-N 1 2 322.315 2.976 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCS[C@@H](C)[C@H]1C ZINC000330799215 232077655 /nfs/dbraw/zinc/07/76/55/232077655.db2.gz CVPLDXSNLJFKFR-NEPJUHHUSA-N 1 2 323.418 2.668 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000330799215 232077658 /nfs/dbraw/zinc/07/76/58/232077658.db2.gz CVPLDXSNLJFKFR-NEPJUHHUSA-N 1 2 323.418 2.668 20 5 DFBDLO C[N@H+](Cc1ccco1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000030276192 398499602 /nfs/dbraw/zinc/49/96/02/398499602.db2.gz NNXBFTFILIUCRP-UHFFFAOYSA-N 1 2 314.301 2.870 20 5 DFBDLO C[N@@H+](Cc1ccco1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000030276192 398499606 /nfs/dbraw/zinc/49/96/06/398499606.db2.gz NNXBFTFILIUCRP-UHFFFAOYSA-N 1 2 314.301 2.870 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@]1(CO)CCc2ccccc21 ZINC000305221809 398505985 /nfs/dbraw/zinc/50/59/85/398505985.db2.gz JPSUESDSQCMFCG-KRWDZBQOSA-N 1 2 316.332 2.658 20 5 DFBDLO Cc1ccc(C[N@H+](CCO)Cc2csc([N+](=O)[O-])c2)cc1 ZINC000181966337 199368602 /nfs/dbraw/zinc/36/86/02/199368602.db2.gz BDOBLXHADNUJJO-UHFFFAOYSA-N 1 2 306.387 2.959 20 5 DFBDLO Cc1ccc(C[N@@H+](CCO)Cc2csc([N+](=O)[O-])c2)cc1 ZINC000181966337 199368604 /nfs/dbraw/zinc/36/86/04/199368604.db2.gz BDOBLXHADNUJJO-UHFFFAOYSA-N 1 2 306.387 2.959 20 5 DFBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000596867969 398518847 /nfs/dbraw/zinc/51/88/47/398518847.db2.gz URMNEYGKSOSVKA-NSHDSACASA-N 1 2 317.349 2.828 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H](CC)CO1 ZINC000593059722 398534473 /nfs/dbraw/zinc/53/44/73/398534473.db2.gz SNIKXLMLPMZDAC-ZIAGYGMSSA-N 1 2 308.378 2.993 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H](CC)CO1 ZINC000593059722 398534479 /nfs/dbraw/zinc/53/44/79/398534479.db2.gz SNIKXLMLPMZDAC-ZIAGYGMSSA-N 1 2 308.378 2.993 20 5 DFBDLO Cn1ncc(C2CC2)c1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000596980183 398540612 /nfs/dbraw/zinc/54/06/12/398540612.db2.gz VAADULURLPFALR-UHFFFAOYSA-N 1 2 300.362 2.838 20 5 DFBDLO Cn1ncc(C2CC2)c1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000596980183 398540616 /nfs/dbraw/zinc/54/06/16/398540616.db2.gz VAADULURLPFALR-UHFFFAOYSA-N 1 2 300.362 2.838 20 5 DFBDLO C[N@H+](CCOCc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000091936945 398549809 /nfs/dbraw/zinc/54/98/09/398549809.db2.gz NZSISYHFBXBWBR-UHFFFAOYSA-N 1 2 316.357 2.949 20 5 DFBDLO C[N@@H+](CCOCc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000091936945 398549814 /nfs/dbraw/zinc/54/98/14/398549814.db2.gz NZSISYHFBXBWBR-UHFFFAOYSA-N 1 2 316.357 2.949 20 5 DFBDLO Cc1cc(C)c(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c[nH+]1 ZINC000593170484 398563816 /nfs/dbraw/zinc/56/38/16/398563816.db2.gz QIKGDVYTJIRWNC-UHFFFAOYSA-N 1 2 317.320 2.605 20 5 DFBDLO Cc1ccc(NC(=O)NCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000043148316 398614630 /nfs/dbraw/zinc/61/46/30/398614630.db2.gz SXRYJYZIVUYUAV-UHFFFAOYSA-N 1 2 315.333 2.532 20 5 DFBDLO Cc1ccc(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)cc1[N+](=O)[O-] ZINC000459704790 299168991 /nfs/dbraw/zinc/16/89/91/299168991.db2.gz MEMHVPDGYFIZIA-UHFFFAOYSA-N 1 2 303.366 2.609 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000093704923 398643451 /nfs/dbraw/zinc/64/34/51/398643451.db2.gz FDRRKVLFWTVXBK-UHFFFAOYSA-N 1 2 320.389 2.939 20 5 DFBDLO O=[N+]([O-])c1cccnc1NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000073138984 398664134 /nfs/dbraw/zinc/66/41/34/398664134.db2.gz HGPQACVEEZACRH-UHFFFAOYSA-N 1 2 309.329 2.847 20 5 DFBDLO CC(C)(NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(F)F ZINC000590757256 398668203 /nfs/dbraw/zinc/66/82/03/398668203.db2.gz BTXSPEOBUPNIFS-UHFFFAOYSA-N 1 2 324.287 2.554 20 5 DFBDLO C[C@H](C[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000459782149 299190910 /nfs/dbraw/zinc/19/09/10/299190910.db2.gz XSSLASUJLFIEED-LLVKDONJSA-N 1 2 324.377 2.710 20 5 DFBDLO C[C@H](C[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000459782149 299190911 /nfs/dbraw/zinc/19/09/11/299190911.db2.gz XSSLASUJLFIEED-LLVKDONJSA-N 1 2 324.377 2.710 20 5 DFBDLO COc1ccc(C[N@@H+]2CCOC[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000072979430 191263355 /nfs/dbraw/zinc/26/33/55/191263355.db2.gz ODMSYNYOINAILG-AWEZNQCLSA-N 1 2 308.378 2.850 20 5 DFBDLO COc1ccc(C[N@H+]2CCOC[C@@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000072979430 191263358 /nfs/dbraw/zinc/26/33/58/191263358.db2.gz ODMSYNYOINAILG-AWEZNQCLSA-N 1 2 308.378 2.850 20 5 DFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccn(C)n1 ZINC000459799343 299196476 /nfs/dbraw/zinc/19/64/76/299196476.db2.gz VMKDZTGVEBUMEB-GFCCVEGCSA-N 1 2 318.377 2.966 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)c(Cl)c1 ZINC000182148486 199393187 /nfs/dbraw/zinc/39/31/87/199393187.db2.gz MONYAIGHTPCMGA-ZDUSSCGKSA-N 1 2 321.768 2.677 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](n3cncn3)C2)c(Cl)c1 ZINC000182148486 199393189 /nfs/dbraw/zinc/39/31/89/199393189.db2.gz MONYAIGHTPCMGA-ZDUSSCGKSA-N 1 2 321.768 2.677 20 5 DFBDLO Cc1cc(NCc2cc[nH+]c(N3CCCC3)c2)ncc1[N+](=O)[O-] ZINC000074738994 398762458 /nfs/dbraw/zinc/76/24/58/398762458.db2.gz DUHCSWRFYFAZKB-UHFFFAOYSA-N 1 2 313.361 2.906 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000591531382 398770023 /nfs/dbraw/zinc/77/00/23/398770023.db2.gz OJGAGRIHRKEXBS-UHFFFAOYSA-N 1 2 314.345 2.925 20 5 DFBDLO CC[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000594308456 398781991 /nfs/dbraw/zinc/78/19/91/398781991.db2.gz RBADZNQPQTVXNU-NHYWBVRUSA-N 1 2 316.361 2.764 20 5 DFBDLO CC[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000594308456 398781995 /nfs/dbraw/zinc/78/19/95/398781995.db2.gz RBADZNQPQTVXNU-NHYWBVRUSA-N 1 2 316.361 2.764 20 5 DFBDLO CCC1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC1 ZINC000178585471 198891930 /nfs/dbraw/zinc/89/19/30/198891930.db2.gz ZZDPRESBUVADGI-UHFFFAOYSA-N 1 2 314.345 2.843 20 5 DFBDLO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3cscn3)CC2)nc1 ZINC000075721958 398820041 /nfs/dbraw/zinc/82/00/41/398820041.db2.gz ZVHLTWGENLMZHQ-UHFFFAOYSA-N 1 2 319.390 2.523 20 5 DFBDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000152642076 283333076 /nfs/dbraw/zinc/33/30/76/283333076.db2.gz WKPMERLICHOBNT-UHFFFAOYSA-N 1 2 321.358 2.513 20 5 DFBDLO Nc1nc(Nc2ccc(Nc3ccccc3)[nH+]c2)ncc1[N+](=O)[O-] ZINC000076269856 398849923 /nfs/dbraw/zinc/84/99/23/398849923.db2.gz OMNHDKLIHKPZEF-UHFFFAOYSA-N 1 2 323.316 2.849 20 5 DFBDLO Cc1cnc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000180413934 199155754 /nfs/dbraw/zinc/15/57/54/199155754.db2.gz SNMAROYIVXDIMA-UHFFFAOYSA-N 1 2 318.402 2.682 20 5 DFBDLO O=[N+]([O-])c1ccc(NCc2ccc(N3CCCCC3)[nH+]c2)cn1 ZINC000076803649 398870731 /nfs/dbraw/zinc/87/07/31/398870731.db2.gz DTTDOQKDGGEQHC-UHFFFAOYSA-N 1 2 313.361 2.987 20 5 DFBDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000135615860 398872046 /nfs/dbraw/zinc/87/20/46/398872046.db2.gz PZFJEUASDUXXDH-LBPRGKRZSA-N 1 2 306.391 2.899 20 5 DFBDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000135615860 398872047 /nfs/dbraw/zinc/87/20/47/398872047.db2.gz PZFJEUASDUXXDH-LBPRGKRZSA-N 1 2 306.391 2.899 20 5 DFBDLO CC[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCN1CC(F)F ZINC000153324533 283362850 /nfs/dbraw/zinc/36/28/50/283362850.db2.gz QZGGVWQYYITERT-ZDUSSCGKSA-N 1 2 313.348 2.756 20 5 DFBDLO CC[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCN1CC(F)F ZINC000153324533 283362853 /nfs/dbraw/zinc/36/28/53/283362853.db2.gz QZGGVWQYYITERT-ZDUSSCGKSA-N 1 2 313.348 2.756 20 5 DFBDLO Cc1c(C[NH2+]Cc2cn(C3CCC3)nn2)cccc1[N+](=O)[O-] ZINC000594937959 398876758 /nfs/dbraw/zinc/87/67/58/398876758.db2.gz KPYFAVQBJFSCFS-UHFFFAOYSA-N 1 2 301.350 2.510 20 5 DFBDLO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)no1 ZINC000051423868 425882992 /nfs/dbraw/zinc/88/29/92/425882992.db2.gz LBPDPDWGRXOHOI-UHFFFAOYSA-N 1 2 316.361 2.522 20 5 DFBDLO CCn1ccnc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595042765 398896753 /nfs/dbraw/zinc/89/67/53/398896753.db2.gz UUIMMQCCNLDLNT-NSHDSACASA-N 1 2 304.350 2.671 20 5 DFBDLO C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c2ncnn21 ZINC000595063023 398900564 /nfs/dbraw/zinc/90/05/64/398900564.db2.gz BYLHSSFZHKJCQC-ONERCXAPSA-N 1 2 313.361 2.859 20 5 DFBDLO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000598989713 398904304 /nfs/dbraw/zinc/90/43/04/398904304.db2.gz RHKZXLMJXLKNTG-UHFFFAOYSA-N 1 2 320.296 2.698 20 5 DFBDLO COCCOCCCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599033380 398910462 /nfs/dbraw/zinc/91/04/62/398910462.db2.gz WIDVCUUFPISPOH-UHFFFAOYSA-N 1 2 319.361 2.998 20 5 DFBDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595295315 398917856 /nfs/dbraw/zinc/91/78/56/398917856.db2.gz XWELCLACUDBCNS-AWEZNQCLSA-N 1 2 323.368 2.567 20 5 DFBDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595295315 398917860 /nfs/dbraw/zinc/91/78/60/398917860.db2.gz XWELCLACUDBCNS-AWEZNQCLSA-N 1 2 323.368 2.567 20 5 DFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC(O)(C(F)F)CC1 ZINC000599070661 398916365 /nfs/dbraw/zinc/91/63/65/398916365.db2.gz NBMOANHKIQMGBF-UHFFFAOYSA-N 1 2 323.299 2.739 20 5 DFBDLO Cn1cc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000595304989 398920523 /nfs/dbraw/zinc/92/05/23/398920523.db2.gz FFCPFZQXKLAXOH-CQSZACIVSA-N 1 2 304.325 2.805 20 5 DFBDLO Cn1cc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000595304989 398920524 /nfs/dbraw/zinc/92/05/24/398920524.db2.gz FFCPFZQXKLAXOH-CQSZACIVSA-N 1 2 304.325 2.805 20 5 DFBDLO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595412911 398933306 /nfs/dbraw/zinc/93/33/06/398933306.db2.gz OLUUBTDMXMTEOU-MRVPVSSYSA-N 1 2 309.297 2.890 20 5 DFBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCOCc1ccccc1)CC2 ZINC000595425969 398936249 /nfs/dbraw/zinc/93/62/49/398936249.db2.gz WZPDRIXRGZCVLO-UHFFFAOYSA-N 1 2 313.357 2.565 20 5 DFBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCOCc1ccccc1)CC2 ZINC000595425969 398936250 /nfs/dbraw/zinc/93/62/50/398936250.db2.gz WZPDRIXRGZCVLO-UHFFFAOYSA-N 1 2 313.357 2.565 20 5 DFBDLO Cc1cc(N(C)CC[C@@H](C)O)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000078416524 398955420 /nfs/dbraw/zinc/95/54/20/398955420.db2.gz RYGFFZGQOYSJOE-GFCCVEGCSA-N 1 2 316.361 2.567 20 5 DFBDLO Cc1ccoc1C[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000292462921 223097979 /nfs/dbraw/zinc/09/79/79/223097979.db2.gz ZAPPIQZBYBWCFY-UHFFFAOYSA-N 1 2 303.318 2.567 20 5 DFBDLO Cc1ccoc1C[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000292462921 223097981 /nfs/dbraw/zinc/09/79/81/223097981.db2.gz ZAPPIQZBYBWCFY-UHFFFAOYSA-N 1 2 303.318 2.567 20 5 DFBDLO C[C@@H](Nc1c([N+](=O)[O-])ncn1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000078569419 398966903 /nfs/dbraw/zinc/96/69/03/398966903.db2.gz QYTMYSDHBCZLOU-LLVKDONJSA-N 1 2 312.333 2.687 20 5 DFBDLO Cc1cc(NC[C@@H](C)CCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000078581755 398969869 /nfs/dbraw/zinc/96/98/69/398969869.db2.gz MOOLZMYWDPOWFU-NSHDSACASA-N 1 2 316.361 2.791 20 5 DFBDLO Cc1cnc(NCc2ccc(N3CCCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000078629327 398974435 /nfs/dbraw/zinc/97/44/35/398974435.db2.gz VBYVFERNPVWPFE-UHFFFAOYSA-N 1 2 313.361 2.906 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000194507387 201240946 /nfs/dbraw/zinc/24/09/46/201240946.db2.gz NQGUEFQFBCZCQA-UHFFFAOYSA-N 1 2 314.345 2.577 20 5 DFBDLO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 ZINC000194624940 201263432 /nfs/dbraw/zinc/26/34/32/201263432.db2.gz ASYPDZDDKIIHGT-LBPRGKRZSA-N 1 2 323.418 2.531 20 5 DFBDLO CC[N@H+]1CCC[C@H](NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 ZINC000194624940 201263435 /nfs/dbraw/zinc/26/34/35/201263435.db2.gz ASYPDZDDKIIHGT-LBPRGKRZSA-N 1 2 323.418 2.531 20 5 DFBDLO COC[C@]1(C)C[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000600212432 399008885 /nfs/dbraw/zinc/00/88/85/399008885.db2.gz DMZAJJTUHLFMTF-KRWDZBQOSA-N 1 2 322.405 2.956 20 5 DFBDLO COC[C@]1(C)C[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000600212432 399008889 /nfs/dbraw/zinc/00/88/89/399008889.db2.gz DMZAJJTUHLFMTF-KRWDZBQOSA-N 1 2 322.405 2.956 20 5 DFBDLO COc1cc(C[N@@H+]2CCO[C@@](C)(C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000595626663 399009082 /nfs/dbraw/zinc/00/90/82/399009082.db2.gz UKFUWIVMMBFXDD-MRXNPFEDSA-N 1 2 324.352 2.743 20 5 DFBDLO COc1cc(C[N@H+]2CCO[C@@](C)(C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000595626663 399009087 /nfs/dbraw/zinc/00/90/87/399009087.db2.gz UKFUWIVMMBFXDD-MRXNPFEDSA-N 1 2 324.352 2.743 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1N1CCC[C@@H](n3cc[nH+]c3)C1)CCN2 ZINC000618152575 399021364 /nfs/dbraw/zinc/02/13/64/399021364.db2.gz VJRKRBLSSULSSV-GFCCVEGCSA-N 1 2 313.361 2.601 20 5 DFBDLO O=c1ccc([C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000599642977 399040084 /nfs/dbraw/zinc/04/00/84/399040084.db2.gz YHPDJCXKEIZOBT-AWEZNQCLSA-N 1 2 318.308 2.567 20 5 DFBDLO O=c1ccc([C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000599642977 399040088 /nfs/dbraw/zinc/04/00/88/399040088.db2.gz YHPDJCXKEIZOBT-AWEZNQCLSA-N 1 2 318.308 2.567 20 5 DFBDLO Cc1cccc2[nH+]c(CNC(=O)c3csc([N+](=O)[O-])c3)cn21 ZINC000171940590 399064071 /nfs/dbraw/zinc/06/40/71/399064071.db2.gz WJFMWOZFGNCJGG-UHFFFAOYSA-N 1 2 316.342 2.542 20 5 DFBDLO O=C(C[N@@H+]1CC[C@H]2C[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595812682 399095014 /nfs/dbraw/zinc/09/50/14/399095014.db2.gz YKIUOHSBMZGGCB-UWVGGRQHSA-N 1 2 309.753 2.529 20 5 DFBDLO O=C(C[N@H+]1CC[C@H]2C[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595812682 399095019 /nfs/dbraw/zinc/09/50/19/399095019.db2.gz YKIUOHSBMZGGCB-UWVGGRQHSA-N 1 2 309.753 2.529 20 5 DFBDLO COC(=O)[C@H]1CCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093440940 193253298 /nfs/dbraw/zinc/25/32/98/193253298.db2.gz MYXDZCDZNXROCP-PMGBHYCQSA-N 1 2 304.346 2.636 20 5 DFBDLO COC(=O)[C@H]1CCCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093440940 193253300 /nfs/dbraw/zinc/25/33/00/193253300.db2.gz MYXDZCDZNXROCP-PMGBHYCQSA-N 1 2 304.346 2.636 20 5 DFBDLO Cc1cc(N2CC[NH+](Cc3ccccn3)CC2)c([N+](=O)[O-])s1 ZINC000596061338 399159039 /nfs/dbraw/zinc/15/90/39/399159039.db2.gz PBHJJDAGTSLJDB-UHFFFAOYSA-N 1 2 318.402 2.682 20 5 DFBDLO CCCCc1nc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)no1 ZINC000282486929 217032869 /nfs/dbraw/zinc/03/28/69/217032869.db2.gz PKRLYQIEGIQGJT-UHFFFAOYSA-N 1 2 318.377 2.995 20 5 DFBDLO CCCCc1nc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)no1 ZINC000282486929 217032872 /nfs/dbraw/zinc/03/28/72/217032872.db2.gz PKRLYQIEGIQGJT-UHFFFAOYSA-N 1 2 318.377 2.995 20 5 DFBDLO C[C@@H]1COCC[N@@H+]1CCNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000596113684 399178675 /nfs/dbraw/zinc/17/86/75/399178675.db2.gz WMOGUDKASSHXBN-SNVBAGLBSA-N 1 2 315.320 2.665 20 5 DFBDLO C[C@@H]1COCC[N@H+]1CCNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000596113684 399178684 /nfs/dbraw/zinc/17/86/84/399178684.db2.gz WMOGUDKASSHXBN-SNVBAGLBSA-N 1 2 315.320 2.665 20 5 DFBDLO O=[N+]([O-])c1sccc1NCc1ccc[nH+]c1N1CCOCC1 ZINC000063258057 399181460 /nfs/dbraw/zinc/18/14/60/399181460.db2.gz HJYYDIUFEUFVIH-UHFFFAOYSA-N 1 2 320.374 2.500 20 5 DFBDLO CNC(=O)c1ccc(NCc2cc(C)[nH+]c(C)c2)c([N+](=O)[O-])c1 ZINC000420653842 296196224 /nfs/dbraw/zinc/19/62/24/296196224.db2.gz PCUNOQCEGSCXTM-UHFFFAOYSA-N 1 2 314.345 2.578 20 5 DFBDLO O=[N+]([O-])c1cc(F)cnc1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000601101647 399227003 /nfs/dbraw/zinc/22/70/03/399227003.db2.gz RBCACXTXPIUDNG-UHFFFAOYSA-N 1 2 317.324 2.736 20 5 DFBDLO C[C@H](N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F ZINC000267444617 206074330 /nfs/dbraw/zinc/07/43/30/206074330.db2.gz PTDUNNYASVAUKF-NSHDSACASA-N 1 2 317.311 2.663 20 5 DFBDLO C[C@](CO)([NH2+]Cc1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000601150032 399241778 /nfs/dbraw/zinc/24/17/78/399241778.db2.gz SHRJSJLMBXWHBX-MRXNPFEDSA-N 1 2 322.311 2.870 20 5 DFBDLO CN(Cc1[nH]cc[nH+]1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000618900540 399254851 /nfs/dbraw/zinc/25/48/51/399254851.db2.gz JTNXHLNHZDZHQK-UHFFFAOYSA-N 1 2 309.713 2.635 20 5 DFBDLO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)[C@H](C)O1 ZINC000615000383 399290054 /nfs/dbraw/zinc/29/00/54/399290054.db2.gz MEXDJYIDWDGXDR-VWYCJHECSA-N 1 2 305.334 2.734 20 5 DFBDLO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)[C@H](C)O1 ZINC000615000383 399290055 /nfs/dbraw/zinc/29/00/55/399290055.db2.gz MEXDJYIDWDGXDR-VWYCJHECSA-N 1 2 305.334 2.734 20 5 DFBDLO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](C)[C@H](C)O1 ZINC000615000381 399290142 /nfs/dbraw/zinc/29/01/42/399290142.db2.gz MEXDJYIDWDGXDR-MXWKQRLJSA-N 1 2 305.334 2.734 20 5 DFBDLO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](C)[C@H](C)O1 ZINC000615000381 399290144 /nfs/dbraw/zinc/29/01/44/399290144.db2.gz MEXDJYIDWDGXDR-MXWKQRLJSA-N 1 2 305.334 2.734 20 5 DFBDLO Cc1cc(CNC(=O)Cc2cccc([N+](=O)[O-])c2C)cc(C)[nH+]1 ZINC000421576393 296267166 /nfs/dbraw/zinc/26/71/66/296267166.db2.gz MFIFXWUBSYJTOM-UHFFFAOYSA-N 1 2 313.357 2.774 20 5 DFBDLO C[C@H](c1cccnc1)[NH+]1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000609631166 399327669 /nfs/dbraw/zinc/32/76/69/399327669.db2.gz SQPAWKBBEMCJLC-GFCCVEGCSA-N 1 2 318.402 2.935 20 5 DFBDLO C[NH+](C)[C@H](CNc1cccnc1[N+](=O)[O-])c1c(F)cccc1F ZINC000609670258 399328895 /nfs/dbraw/zinc/32/88/95/399328895.db2.gz LLXIORTVXQNQPX-CYBMUJFWSA-N 1 2 322.315 2.983 20 5 DFBDLO COC[C@@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000284670329 218124248 /nfs/dbraw/zinc/12/42/48/218124248.db2.gz YQYDXKZSEKSFQJ-AWEZNQCLSA-N 1 2 308.378 2.529 20 5 DFBDLO COC[C@@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000284670329 218124249 /nfs/dbraw/zinc/12/42/49/218124249.db2.gz YQYDXKZSEKSFQJ-AWEZNQCLSA-N 1 2 308.378 2.529 20 5 DFBDLO Cn1cc[nH+]c1[C@@H](Nc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000284699219 218138764 /nfs/dbraw/zinc/13/87/64/218138764.db2.gz ZSWLCHHPWBEUAO-HNNXBMFYSA-N 1 2 316.361 2.908 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000619531999 399358529 /nfs/dbraw/zinc/35/85/29/399358529.db2.gz QMOIYKPXSSXEKO-GFCCVEGCSA-N 1 2 316.304 2.807 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000619531999 399358530 /nfs/dbraw/zinc/35/85/30/399358530.db2.gz QMOIYKPXSSXEKO-GFCCVEGCSA-N 1 2 316.304 2.807 20 5 DFBDLO Cc1[nH+]c2n(c1C)CCN([C@@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000610368134 399361411 /nfs/dbraw/zinc/36/14/11/399361411.db2.gz CHVVOSYYFHNPGV-ZDUSSCGKSA-N 1 2 300.362 2.985 20 5 DFBDLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000285086944 218285760 /nfs/dbraw/zinc/28/57/60/218285760.db2.gz JUMRHAYUVDXNKD-SFYZADRCSA-N 1 2 307.379 2.749 20 5 DFBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2ccon2)cc(C(F)(F)F)c1 ZINC000602017096 399385457 /nfs/dbraw/zinc/38/54/57/399385457.db2.gz MJBQCXUIPORSEF-UHFFFAOYSA-N 1 2 301.224 2.891 20 5 DFBDLO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285305246 218374222 /nfs/dbraw/zinc/37/42/22/218374222.db2.gz MKQGSYYZDIIPSS-RKDXNWHRSA-N 1 2 300.305 2.607 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cs1 ZINC000109759345 194283866 /nfs/dbraw/zinc/28/38/66/194283866.db2.gz ZMHHSXNMALRSSJ-SCZZXKLOSA-N 1 2 310.297 2.544 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cs1 ZINC000109759345 194283868 /nfs/dbraw/zinc/28/38/68/194283868.db2.gz ZMHHSXNMALRSSJ-SCZZXKLOSA-N 1 2 310.297 2.544 20 5 DFBDLO Cc1noc(C2CC[NH+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)n1 ZINC000053639351 183908646 /nfs/dbraw/zinc/90/86/46/183908646.db2.gz WRQUDSMJRNAINZ-UHFFFAOYSA-N 1 2 320.324 2.805 20 5 DFBDLO CC1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000615990677 399408985 /nfs/dbraw/zinc/40/89/85/399408985.db2.gz LMCQWQSUKZRCGW-UHFFFAOYSA-N 1 2 319.405 2.663 20 5 DFBDLO CN(CCCn1cc[nH+]c1)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000268961227 207126582 /nfs/dbraw/zinc/12/65/82/207126582.db2.gz LCHJJOYFWZIEAH-UHFFFAOYSA-N 1 2 311.345 2.866 20 5 DFBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCC1 ZINC000611122082 399436259 /nfs/dbraw/zinc/43/62/59/399436259.db2.gz QIWZYJIHCJOAGC-LLVKDONJSA-N 1 2 314.345 2.699 20 5 DFBDLO O=[N+]([O-])c1ccc(-n2c[nH+]c(CCCO)c2)cc1C(F)(F)F ZINC000611132461 399437527 /nfs/dbraw/zinc/43/75/27/399437527.db2.gz JXUZRMZZPRVMLL-UHFFFAOYSA-N 1 2 315.251 2.724 20 5 DFBDLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602470363 399453276 /nfs/dbraw/zinc/45/32/76/399453276.db2.gz CQHBDBHQZDKZFU-SNVBAGLBSA-N 1 2 304.325 2.587 20 5 DFBDLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602470363 399453280 /nfs/dbraw/zinc/45/32/80/399453280.db2.gz CQHBDBHQZDKZFU-SNVBAGLBSA-N 1 2 304.325 2.587 20 5 DFBDLO Cn1cc(C[N@@H+]2CCc3c(Cl)cccc3C2)c([N+](=O)[O-])n1 ZINC000602471642 399453398 /nfs/dbraw/zinc/45/33/98/399453398.db2.gz CCSRZHKTDRNCIL-UHFFFAOYSA-N 1 2 306.753 2.540 20 5 DFBDLO Cn1cc(C[N@H+]2CCc3c(Cl)cccc3C2)c([N+](=O)[O-])n1 ZINC000602471642 399453402 /nfs/dbraw/zinc/45/34/02/399453402.db2.gz CCSRZHKTDRNCIL-UHFFFAOYSA-N 1 2 306.753 2.540 20 5 DFBDLO COCc1nc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cs1 ZINC000616483628 399474333 /nfs/dbraw/zinc/47/43/33/399474333.db2.gz QHTCTHLIXDGZRB-UHFFFAOYSA-N 1 2 307.375 2.796 20 5 DFBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H](F)C2)cccc1[N+](=O)[O-] ZINC000611501372 399483205 /nfs/dbraw/zinc/48/32/05/399483205.db2.gz BEJASPXCMLGQSX-WCFLWFBJSA-N 1 2 323.368 2.910 20 5 DFBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H](F)C2)cccc1[N+](=O)[O-] ZINC000611501372 399483207 /nfs/dbraw/zinc/48/32/07/399483207.db2.gz BEJASPXCMLGQSX-WCFLWFBJSA-N 1 2 323.368 2.910 20 5 DFBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](F)C2)cccc1[N+](=O)[O-] ZINC000611501371 399483257 /nfs/dbraw/zinc/48/32/57/399483257.db2.gz BEJASPXCMLGQSX-KGYLQXTDSA-N 1 2 323.368 2.910 20 5 DFBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H](F)C2)cccc1[N+](=O)[O-] ZINC000611501371 399483259 /nfs/dbraw/zinc/48/32/59/399483259.db2.gz BEJASPXCMLGQSX-KGYLQXTDSA-N 1 2 323.368 2.910 20 5 DFBDLO C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1F ZINC000611502556 399483994 /nfs/dbraw/zinc/48/39/94/399483994.db2.gz VGGKRWHYRSUAGC-YGRLFVJLSA-N 1 2 310.325 2.641 20 5 DFBDLO C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1F ZINC000611502556 399483996 /nfs/dbraw/zinc/48/39/96/399483996.db2.gz VGGKRWHYRSUAGC-YGRLFVJLSA-N 1 2 310.325 2.641 20 5 DFBDLO COc1nccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000294538155 224076819 /nfs/dbraw/zinc/07/68/19/224076819.db2.gz ICIISANVMUXNNJ-UHFFFAOYSA-N 1 2 314.345 2.558 20 5 DFBDLO COc1nccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000294538155 224076821 /nfs/dbraw/zinc/07/68/21/224076821.db2.gz ICIISANVMUXNNJ-UHFFFAOYSA-N 1 2 314.345 2.558 20 5 DFBDLO Cn1cc(C[N@H+](C)Cc2ccc(F)c(Cl)c2)c([N+](=O)[O-])n1 ZINC000602639456 399499370 /nfs/dbraw/zinc/49/93/70/399499370.db2.gz SEQSRUHWARQKDC-UHFFFAOYSA-N 1 2 312.732 2.753 20 5 DFBDLO Cn1cc(C[N@@H+](C)Cc2ccc(F)c(Cl)c2)c([N+](=O)[O-])n1 ZINC000602639456 399499373 /nfs/dbraw/zinc/49/93/73/399499373.db2.gz SEQSRUHWARQKDC-UHFFFAOYSA-N 1 2 312.732 2.753 20 5 DFBDLO O=[N+]([O-])c1ccc2ncnc(N3CCC(c4c[nH]c[nH+]4)CC3)c2c1 ZINC000611709910 399509863 /nfs/dbraw/zinc/50/98/63/399509863.db2.gz VEKBJSWNBLUGFM-UHFFFAOYSA-N 1 2 324.344 2.645 20 5 DFBDLO O=[N+]([O-])c1ccc2ncnc(N3CCC(c4c[nH+]c[nH]4)CC3)c2c1 ZINC000611709910 399509867 /nfs/dbraw/zinc/50/98/67/399509867.db2.gz VEKBJSWNBLUGFM-UHFFFAOYSA-N 1 2 324.344 2.645 20 5 DFBDLO C[C@]1(F)CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000347383145 285022769 /nfs/dbraw/zinc/02/27/69/285022769.db2.gz OBJVEDACYXWQNY-AWEZNQCLSA-N 1 2 306.297 2.579 20 5 DFBDLO C[C@]1(F)CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000347383145 285022771 /nfs/dbraw/zinc/02/27/71/285022771.db2.gz OBJVEDACYXWQNY-AWEZNQCLSA-N 1 2 306.297 2.579 20 5 DFBDLO CC1=CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000270101816 208161455 /nfs/dbraw/zinc/16/14/55/208161455.db2.gz BXDFUIHPWSSGAV-UHFFFAOYSA-N 1 2 309.753 2.839 20 5 DFBDLO CC1=CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000270101816 208161460 /nfs/dbraw/zinc/16/14/60/208161460.db2.gz BXDFUIHPWSSGAV-UHFFFAOYSA-N 1 2 309.753 2.839 20 5 DFBDLO C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc(F)cc1Cl ZINC000602798295 399578324 /nfs/dbraw/zinc/57/83/24/399578324.db2.gz BNYXKWXWWQMUMW-MRVPVSSYSA-N 1 2 312.732 2.972 20 5 DFBDLO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc(F)cc1Cl ZINC000602798300 399578355 /nfs/dbraw/zinc/57/83/55/399578355.db2.gz BNYXKWXWWQMUMW-QMMMGPOBSA-N 1 2 312.732 2.972 20 5 DFBDLO Cc1occc1C[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000055053244 542452784 /nfs/dbraw/zinc/45/27/84/542452784.db2.gz PHESTRYSRMPSEC-UHFFFAOYSA-N 1 2 317.345 2.875 20 5 DFBDLO Cc1occc1C[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000055053244 542452788 /nfs/dbraw/zinc/45/27/88/542452788.db2.gz PHESTRYSRMPSEC-UHFFFAOYSA-N 1 2 317.345 2.875 20 5 DFBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]2c2ncccn2)c1 ZINC000602895841 399618699 /nfs/dbraw/zinc/61/86/99/399618699.db2.gz CPKHIQUNDKEZAV-OAHLLOKOSA-N 1 2 314.345 2.601 20 5 DFBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H]2c2ncccn2)c1 ZINC000602895841 399618708 /nfs/dbraw/zinc/61/87/08/399618708.db2.gz CPKHIQUNDKEZAV-OAHLLOKOSA-N 1 2 314.345 2.601 20 5 DFBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]2c2ncccn2)cc1 ZINC000602900456 399619581 /nfs/dbraw/zinc/61/95/81/399619581.db2.gz UYUYOFPYIHWCBH-OAHLLOKOSA-N 1 2 314.345 2.601 20 5 DFBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]2c2ncccn2)cc1 ZINC000602900456 399619583 /nfs/dbraw/zinc/61/95/83/399619583.db2.gz UYUYOFPYIHWCBH-OAHLLOKOSA-N 1 2 314.345 2.601 20 5 DFBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2nnc(C3CC3)[nH]2)c1 ZINC000294909242 224302962 /nfs/dbraw/zinc/30/29/62/224302962.db2.gz XXYVYFJQVCQUEZ-UHFFFAOYSA-N 1 2 307.741 2.534 20 5 DFBDLO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000294893329 224291415 /nfs/dbraw/zinc/29/14/15/224291415.db2.gz WOQCAJJBLVPEOL-UHFFFAOYSA-N 1 2 307.741 2.534 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(N2CCC[C@@H]2Cn2cc[nH+]c2)c(F)c1 ZINC000121753632 195340009 /nfs/dbraw/zinc/34/00/09/195340009.db2.gz OHYUYHWRCWELBN-SNVBAGLBSA-N 1 2 308.288 2.739 20 5 DFBDLO Cn1ccnc1[C@H]([NH2+][C@H]1C[C@H]1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000348296667 285478737 /nfs/dbraw/zinc/47/87/37/285478737.db2.gz XAYRIHMXXKDCIF-FRRDWIJNSA-N 1 2 322.315 2.661 20 5 DFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000172020768 145287761 /nfs/dbraw/zinc/28/77/61/145287761.db2.gz PXNBRCPTKDCSJU-ZDUSSCGKSA-N 1 2 321.768 2.677 20 5 DFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000172020768 145287762 /nfs/dbraw/zinc/28/77/62/145287762.db2.gz PXNBRCPTKDCSJU-ZDUSSCGKSA-N 1 2 321.768 2.677 20 5 DFBDLO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1nnc2n1CCCC2 ZINC000173452685 145344221 /nfs/dbraw/zinc/34/42/21/145344221.db2.gz FVIHBAKQGOWRJU-NWDGAFQWSA-N 1 2 315.377 2.934 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cn3cccc(C)c3[nH+]2)c1 ZINC000173614538 145349036 /nfs/dbraw/zinc/34/90/36/145349036.db2.gz BXEHGUQDZICAJZ-UHFFFAOYSA-N 1 2 324.340 2.789 20 5 DFBDLO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)OC(C)(C)C ZINC000255080459 146230977 /nfs/dbraw/zinc/23/09/77/146230977.db2.gz BIRQVVRHRMCWAS-CLFYSBASSA-N 1 2 306.362 2.882 20 5 DFBDLO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)OC(C)(C)C ZINC000255080459 146230981 /nfs/dbraw/zinc/23/09/81/146230981.db2.gz BIRQVVRHRMCWAS-CLFYSBASSA-N 1 2 306.362 2.882 20 5 DFBDLO Cc1nn(Cc2[nH+]ccn2C(F)F)c2ccc([N+](=O)[O-])cc12 ZINC000355462896 147325665 /nfs/dbraw/zinc/32/56/65/147325665.db2.gz RINCKESBTHUHDX-UHFFFAOYSA-N 1 2 307.260 2.893 20 5 DFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC23CCC3)c([N+](=O)[O-])c1 ZINC000357908267 148171253 /nfs/dbraw/zinc/17/12/53/148171253.db2.gz KBIKVBLITJLSRB-UHFFFAOYSA-N 1 2 319.361 2.560 20 5 DFBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC23CCC3)c([N+](=O)[O-])c1 ZINC000357908267 148171257 /nfs/dbraw/zinc/17/12/57/148171257.db2.gz KBIKVBLITJLSRB-UHFFFAOYSA-N 1 2 319.361 2.560 20 5 DFBDLO CCc1c[nH+]ccc1NC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000358283194 148319013 /nfs/dbraw/zinc/31/90/13/148319013.db2.gz LBKPAVIXXORBKY-UHFFFAOYSA-N 1 2 317.370 2.705 20 5 DFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000362590053 149316785 /nfs/dbraw/zinc/31/67/85/149316785.db2.gz IPHOXVWABXBFDH-SUMWQHHRSA-N 1 2 320.389 2.783 20 5 DFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000362590053 149316787 /nfs/dbraw/zinc/31/67/87/149316787.db2.gz IPHOXVWABXBFDH-SUMWQHHRSA-N 1 2 320.389 2.783 20 5 DFBDLO CC(C)[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000351148131 286112477 /nfs/dbraw/zinc/11/24/77/286112477.db2.gz RVZWUWFQGNJING-CQSZACIVSA-N 1 2 305.334 2.593 20 5 DFBDLO CC(C)[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000351148131 286112478 /nfs/dbraw/zinc/11/24/78/286112478.db2.gz RVZWUWFQGNJING-CQSZACIVSA-N 1 2 305.334 2.593 20 5 DFBDLO COc1ccc(CN2CCC[C@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000351068704 286107734 /nfs/dbraw/zinc/10/77/34/286107734.db2.gz XRIBBICEHAUIKW-LBPRGKRZSA-N 1 2 302.334 2.664 20 5 DFBDLO CCc1ccc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000371443231 150047793 /nfs/dbraw/zinc/04/77/93/150047793.db2.gz OPSNUWGQIAJXPL-ZDUSSCGKSA-N 1 2 314.345 2.858 20 5 DFBDLO CC(C)OC[C@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000372117619 150139113 /nfs/dbraw/zinc/13/91/13/150139113.db2.gz VHPGOTVZHLVGNE-BIENSFFJSA-N 1 2 320.389 2.734 20 5 DFBDLO CC(C)OC[C@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000372117619 150139116 /nfs/dbraw/zinc/13/91/16/150139116.db2.gz VHPGOTVZHLVGNE-BIENSFFJSA-N 1 2 320.389 2.734 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1c1[nH+]ccn1C ZINC000373757822 150253419 /nfs/dbraw/zinc/25/34/19/150253419.db2.gz BOLQBGIVQRQXAR-CQSZACIVSA-N 1 2 316.361 2.674 20 5 DFBDLO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCC1(F)F ZINC000351993306 286263946 /nfs/dbraw/zinc/26/39/46/286263946.db2.gz IAYPBTSQQVNGCG-VIFPVBQESA-N 1 2 310.304 2.948 20 5 DFBDLO C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCC1(F)F ZINC000351993306 286263947 /nfs/dbraw/zinc/26/39/47/286263947.db2.gz IAYPBTSQQVNGCG-VIFPVBQESA-N 1 2 310.304 2.948 20 5 DFBDLO CC(C)n1cc[nH+]c1CN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352680526 286438973 /nfs/dbraw/zinc/43/89/73/286438973.db2.gz UFDOTLNDFHOZIB-UHFFFAOYSA-N 1 2 316.361 2.767 20 5 DFBDLO Cc1cnc([C@H](C)[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000356988452 158339731 /nfs/dbraw/zinc/33/97/31/158339731.db2.gz QURBAEBRUPLJBI-NWDGAFQWSA-N 1 2 317.349 2.534 20 5 DFBDLO Cc1cnc([C@H](C)[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000356988452 158339735 /nfs/dbraw/zinc/33/97/35/158339735.db2.gz QURBAEBRUPLJBI-NWDGAFQWSA-N 1 2 317.349 2.534 20 5 DFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000493660198 299805720 /nfs/dbraw/zinc/80/57/20/299805720.db2.gz UHNPFEZJKSUKSH-ABZNLYFFSA-N 1 2 314.345 2.702 20 5 DFBDLO O=C(C[N@@H+]1CCc2ccsc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000132863188 196291833 /nfs/dbraw/zinc/29/18/33/196291833.db2.gz LMMPCNUPIZWFAX-UHFFFAOYSA-N 1 2 317.370 2.653 20 5 DFBDLO O=C(C[N@H+]1CCc2ccsc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000132863188 196291835 /nfs/dbraw/zinc/29/18/35/196291835.db2.gz LMMPCNUPIZWFAX-UHFFFAOYSA-N 1 2 317.370 2.653 20 5 DFBDLO Cc1cc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ncc1[N+](=O)[O-] ZINC000134006286 196353076 /nfs/dbraw/zinc/35/30/76/196353076.db2.gz GVUHJNROBXWILK-BXUZGUMPSA-N 1 2 301.350 2.582 20 5 DFBDLO C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000134078523 196358873 /nfs/dbraw/zinc/35/88/73/196358873.db2.gz OWHVBWFWGAVVTK-GWCFXTLKSA-N 1 2 321.768 2.927 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)ccc1Cl ZINC000291358381 222338881 /nfs/dbraw/zinc/33/88/81/222338881.db2.gz YBCWCZZIOBKDKZ-SNVBAGLBSA-N 1 2 320.723 2.698 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)ccc1Cl ZINC000291358381 222338883 /nfs/dbraw/zinc/33/88/83/222338883.db2.gz YBCWCZZIOBKDKZ-SNVBAGLBSA-N 1 2 320.723 2.698 20 5 DFBDLO CCOc1cccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)n1 ZINC000124773730 425937671 /nfs/dbraw/zinc/93/76/71/425937671.db2.gz YQAZKEMMHJTFST-UHFFFAOYSA-N 1 2 313.357 2.947 20 5 DFBDLO CCOc1cccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)n1 ZINC000124773730 425937673 /nfs/dbraw/zinc/93/76/73/425937673.db2.gz YQAZKEMMHJTFST-UHFFFAOYSA-N 1 2 313.357 2.947 20 5 DFBDLO CCCCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032477388 425838804 /nfs/dbraw/zinc/83/88/04/425838804.db2.gz JCCRRALMDZVZBK-UHFFFAOYSA-N 1 2 302.334 2.701 20 5 DFBDLO CN(C)C(=O)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000194183717 268094896 /nfs/dbraw/zinc/09/48/96/268094896.db2.gz GRDRUNITBLORQS-MRXNPFEDSA-N 1 2 313.357 2.514 20 5 DFBDLO COc1cccc(C(=O)Nc2ccc(C)[nH+]c2C)c1[N+](=O)[O-] ZINC000194657962 268110378 /nfs/dbraw/zinc/11/03/78/268110378.db2.gz DWAIGRBMODVTMF-UHFFFAOYSA-N 1 2 301.302 2.868 20 5 DFBDLO Cc1cc(N[C@@H]2CCO[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000270823063 268222374 /nfs/dbraw/zinc/22/23/74/268222374.db2.gz ZAQMMUIUSYFFOV-BXUZGUMPSA-N 1 2 314.345 2.950 20 5 DFBDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC000314740412 268341510 /nfs/dbraw/zinc/34/15/10/268341510.db2.gz WTMNSGFLAHUOBY-SECBINFHSA-N 1 2 321.358 2.689 20 5 DFBDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000071943260 426006669 /nfs/dbraw/zinc/00/66/69/426006669.db2.gz CUCXBTJRFGBCKO-HNNXBMFYSA-N 1 2 306.362 2.821 20 5 DFBDLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000071943260 426006671 /nfs/dbraw/zinc/00/66/71/426006671.db2.gz CUCXBTJRFGBCKO-HNNXBMFYSA-N 1 2 306.362 2.821 20 5 DFBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc2[nH+]ccn2c1 ZINC000338139659 268627706 /nfs/dbraw/zinc/62/77/06/268627706.db2.gz AOMISOOAGULSSD-UHFFFAOYSA-N 1 2 324.340 2.557 20 5 DFBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cc[nH+]cc2C)cc1C ZINC000112496497 426080755 /nfs/dbraw/zinc/08/07/55/426080755.db2.gz NMDCPMNSTQSAGS-UHFFFAOYSA-N 1 2 321.358 2.716 20 5 DFBDLO C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc2[nH+]ccn2c1 ZINC000171445060 426190540 /nfs/dbraw/zinc/19/05/40/426190540.db2.gz ISSJPDVDBHZTNW-LLVKDONJSA-N 1 2 322.324 2.834 20 5 DFBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120201583 426307851 /nfs/dbraw/zinc/30/78/51/426307851.db2.gz XBYMXEQVKQFEIS-CYBMUJFWSA-N 1 2 300.318 2.685 20 5 DFBDLO CCn1nc(C)c(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1C ZINC000093443708 426356626 /nfs/dbraw/zinc/35/66/26/426356626.db2.gz VHZSCUUMYRBOQK-UHFFFAOYSA-N 1 2 314.389 2.986 20 5 DFBDLO CCn1nc(C)c(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1C ZINC000093443708 426356629 /nfs/dbraw/zinc/35/66/29/426356629.db2.gz VHZSCUUMYRBOQK-UHFFFAOYSA-N 1 2 314.389 2.986 20 5 DFBDLO O=[N+]([O-])c1cnc(NCc2cn3ccccc3[nH+]2)c(Cl)c1 ZINC000122574760 426382569 /nfs/dbraw/zinc/38/25/69/426382569.db2.gz KWVZEJSFWROEPB-UHFFFAOYSA-N 1 2 303.709 2.903 20 5 DFBDLO C[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000176896518 426423041 /nfs/dbraw/zinc/42/30/41/426423041.db2.gz TWXOBLBPABQNLQ-SNVBAGLBSA-N 1 2 322.752 2.511 20 5 DFBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(c3nc[nH]n3)CC2)ccc1Cl ZINC000154180507 426429193 /nfs/dbraw/zinc/42/91/93/426429193.db2.gz AFEDHWXGJGHWIT-UHFFFAOYSA-N 1 2 321.768 2.746 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1Nc1ccc(N2CCOCC2)[nH+]c1 ZINC000341423392 269075575 /nfs/dbraw/zinc/07/55/75/269075575.db2.gz VRBCFMYLQMTLCP-UHFFFAOYSA-N 1 2 318.308 2.709 20 5 DFBDLO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000124389831 426482465 /nfs/dbraw/zinc/48/24/65/426482465.db2.gz LEFWIYNXWVHEQL-SWLSCSKDSA-N 1 2 314.345 2.515 20 5 DFBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCS[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000264154576 426506658 /nfs/dbraw/zinc/50/66/58/426506658.db2.gz ULTIWGTZEWNSEA-CMPLNLGQSA-N 1 2 323.418 2.668 20 5 DFBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCS[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000264154576 426506662 /nfs/dbraw/zinc/50/66/62/426506662.db2.gz ULTIWGTZEWNSEA-CMPLNLGQSA-N 1 2 323.418 2.668 20 5 DFBDLO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])s2)[C@H](c2ccccc2)C1 ZINC000195506467 426530945 /nfs/dbraw/zinc/53/09/45/426530945.db2.gz QJDHRESCKGXOHK-LBPRGKRZSA-N 1 2 304.375 2.544 20 5 DFBDLO C[N@H+]1CCN(c2ncc([N+](=O)[O-])s2)[C@H](c2ccccc2)C1 ZINC000195506467 426530948 /nfs/dbraw/zinc/53/09/48/426530948.db2.gz QJDHRESCKGXOHK-LBPRGKRZSA-N 1 2 304.375 2.544 20 5 DFBDLO Cc1cc(N[C@H]2CCCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000264509503 426565490 /nfs/dbraw/zinc/56/54/90/426565490.db2.gz STBPPGDHWHWYSW-ZDUSSCGKSA-N 1 2 314.345 2.951 20 5 DFBDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)C2 ZINC000220601957 426576663 /nfs/dbraw/zinc/57/66/63/426576663.db2.gz LTFOLFSNKWISTE-NSHDSACASA-N 1 2 314.345 2.678 20 5 DFBDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)CC2 ZINC000220601957 426576664 /nfs/dbraw/zinc/57/66/64/426576664.db2.gz LTFOLFSNKWISTE-NSHDSACASA-N 1 2 314.345 2.678 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(NCc2cc[nH+]c(N3CCCC3)c2)n1 ZINC000178162023 426580269 /nfs/dbraw/zinc/58/02/69/426580269.db2.gz MLWJXJPNFVUFBK-UHFFFAOYSA-N 1 2 313.361 2.906 20 5 DFBDLO C[C@@H](N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)C(F)(F)F ZINC000178245453 426592507 /nfs/dbraw/zinc/59/25/07/426592507.db2.gz CVLQIIOQRUSTQT-LLVKDONJSA-N 1 2 317.311 2.663 20 5 DFBDLO CCc1c[nH+]ccc1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000265243750 426602699 /nfs/dbraw/zinc/60/26/99/426602699.db2.gz RQUOZYSJGIGRAN-UHFFFAOYSA-N 1 2 315.329 2.960 20 5 DFBDLO CC1=CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000280632564 426618690 /nfs/dbraw/zinc/61/86/90/426618690.db2.gz HISHXZDIEMKCMC-UHFFFAOYSA-N 1 2 312.329 2.573 20 5 DFBDLO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1nnc2n1CCCC2 ZINC000178660173 426671057 /nfs/dbraw/zinc/67/10/57/426671057.db2.gz AGQRBQPKULJCLK-NWDGAFQWSA-N 1 2 315.377 2.934 20 5 DFBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H]1CO ZINC000290046206 426680093 /nfs/dbraw/zinc/68/00/93/426680093.db2.gz RIZFRVCNVCQDEG-SNVBAGLBSA-N 1 2 305.161 2.858 20 5 DFBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H]1CO ZINC000290046206 426680098 /nfs/dbraw/zinc/68/00/98/426680098.db2.gz RIZFRVCNVCQDEG-SNVBAGLBSA-N 1 2 305.161 2.858 20 5 DFBDLO O=[N+]([O-])c1cnc(Nc2ccc(NC3CCCC3)[nH+]c2)nc1 ZINC000273596017 426694936 /nfs/dbraw/zinc/69/49/36/426694936.db2.gz ILJSAQFKJGCLSW-UHFFFAOYSA-N 1 2 300.322 2.878 20 5 DFBDLO CCC[C@@]1(C)C(=O)NCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000189037624 426813658 /nfs/dbraw/zinc/81/36/58/426813658.db2.gz RBCXOHBRKQTGSF-JKNJVXJCSA-N 1 2 317.389 2.599 20 5 DFBDLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000189037624 426813663 /nfs/dbraw/zinc/81/36/63/426813663.db2.gz RBCXOHBRKQTGSF-JKNJVXJCSA-N 1 2 317.389 2.599 20 5 DFBDLO CC(C)c1nnc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1C ZINC000282452367 426914588 /nfs/dbraw/zinc/91/45/88/426914588.db2.gz LWYDLHPDYKGJIP-UHFFFAOYSA-N 1 2 317.393 2.521 20 5 DFBDLO CC(C)c1nnc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1C ZINC000282452367 426914595 /nfs/dbraw/zinc/91/45/95/426914595.db2.gz LWYDLHPDYKGJIP-UHFFFAOYSA-N 1 2 317.393 2.521 20 5 DFBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)Cc1[nH+]ccn1C ZINC000275959165 426956393 /nfs/dbraw/zinc/95/63/93/426956393.db2.gz VPXJIDVZPRXKMI-UHFFFAOYSA-N 1 2 322.752 2.562 20 5 DFBDLO Cc1cc(C(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)cc([N+](=O)[O-])c1 ZINC000283155790 426966353 /nfs/dbraw/zinc/96/63/53/426966353.db2.gz YYBJZRAOZXAREQ-CYBMUJFWSA-N 1 2 302.334 2.753 20 5 DFBDLO NC(=O)C[N@H+](CCC1CCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000337803635 426974714 /nfs/dbraw/zinc/97/47/14/426974714.db2.gz JJWAFQCMNHZTAY-UHFFFAOYSA-N 1 2 319.405 2.853 20 5 DFBDLO NC(=O)C[N@@H+](CCC1CCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000337803635 426974718 /nfs/dbraw/zinc/97/47/18/426974718.db2.gz JJWAFQCMNHZTAY-UHFFFAOYSA-N 1 2 319.405 2.853 20 5 DFBDLO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181910799 426992151 /nfs/dbraw/zinc/99/21/51/426992151.db2.gz QSOBNZXPPSHBFJ-LBPRGKRZSA-N 1 2 323.393 2.541 20 5 DFBDLO Cc1cncc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000189778184 426945553 /nfs/dbraw/zinc/94/55/53/426945553.db2.gz ULGINMVUVMKROH-UHFFFAOYSA-N 1 2 312.373 2.620 20 5 DFBDLO C[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000283336102 426999047 /nfs/dbraw/zinc/99/90/47/426999047.db2.gz ASHNUESVMMMYPW-LLVKDONJSA-N 1 2 303.366 2.792 20 5 DFBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(n2cc[nH+]c2)CC1 ZINC000283762690 427070726 /nfs/dbraw/zinc/07/07/26/427070726.db2.gz NFFKRFIZLZAZSR-UHFFFAOYSA-N 1 2 314.345 2.835 20 5 DFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](CCO)Cc1cccnc1 ZINC000268691722 427092967 /nfs/dbraw/zinc/09/29/67/427092967.db2.gz OZGSSDMUIFGFPN-CYBMUJFWSA-N 1 2 301.346 2.545 20 5 DFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](CCO)Cc1cccnc1 ZINC000268691722 427092972 /nfs/dbraw/zinc/09/29/72/427092972.db2.gz OZGSSDMUIFGFPN-CYBMUJFWSA-N 1 2 301.346 2.545 20 5 DFBDLO COC[C@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000284023341 427118670 /nfs/dbraw/zinc/11/86/70/427118670.db2.gz KXKNCCOWLATTBL-JTQLQIEISA-N 1 2 300.305 2.731 20 5 DFBDLO COC[C@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000284023341 427118677 /nfs/dbraw/zinc/11/86/77/427118677.db2.gz KXKNCCOWLATTBL-JTQLQIEISA-N 1 2 300.305 2.731 20 5 DFBDLO COc1ccc(C[NH+]2CC(C)(C)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000190551015 427136594 /nfs/dbraw/zinc/13/65/94/427136594.db2.gz DYWRUUISQGTQLB-UHFFFAOYSA-N 1 2 308.378 2.993 20 5 DFBDLO COCCN1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000182751424 427139012 /nfs/dbraw/zinc/13/90/12/427139012.db2.gz NQGSZTYMFSSKQH-CABCVRRESA-N 1 2 321.421 2.617 20 5 DFBDLO COCCN1CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000182751424 427139016 /nfs/dbraw/zinc/13/90/16/427139016.db2.gz NQGSZTYMFSSKQH-CABCVRRESA-N 1 2 321.421 2.617 20 5 DFBDLO Cc1noc(C(C)(C)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000284146005 427141600 /nfs/dbraw/zinc/14/16/00/427141600.db2.gz VKNIEFYSROIGLM-SOFGYWHQSA-N 1 2 302.334 2.824 20 5 DFBDLO Nc1c(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cccc1[N+](=O)[O-] ZINC000176026133 271162503 /nfs/dbraw/zinc/16/25/03/271162503.db2.gz YJEAIFYGRAIDRY-UHFFFAOYSA-N 1 2 323.312 2.615 20 5 DFBDLO COCc1noc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000183038328 427187388 /nfs/dbraw/zinc/18/73/88/427187388.db2.gz CJVBKCNFWYOJEC-ZJUUUORDSA-N 1 2 306.322 2.536 20 5 DFBDLO Cc1ccc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c(C)[nH+]1 ZINC000269462474 427202243 /nfs/dbraw/zinc/20/22/43/427202243.db2.gz HWRXRVGEVHEPKX-UHFFFAOYSA-N 1 2 303.322 2.705 20 5 DFBDLO CC[C@H]([NH2+]Cc1oncc1C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000285369936 427210727 /nfs/dbraw/zinc/21/07/27/427210727.db2.gz BYKBGWCYCXPNPY-ZDUSSCGKSA-N 1 2 319.317 2.610 20 5 DFBDLO CCc1cnc(C[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000269633937 427234683 /nfs/dbraw/zinc/23/46/83/427234683.db2.gz GOEWRIPVBOTIAT-CQSZACIVSA-N 1 2 321.402 2.779 20 5 DFBDLO CCc1cnc(C[N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000269633937 427234688 /nfs/dbraw/zinc/23/46/88/427234688.db2.gz GOEWRIPVBOTIAT-CQSZACIVSA-N 1 2 321.402 2.779 20 5 DFBDLO CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330485618 427250014 /nfs/dbraw/zinc/25/00/14/427250014.db2.gz BPZZELOTEBULIG-MRXNPFEDSA-N 1 2 308.378 2.673 20 5 DFBDLO CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330485618 427250021 /nfs/dbraw/zinc/25/00/21/427250021.db2.gz BPZZELOTEBULIG-MRXNPFEDSA-N 1 2 308.378 2.673 20 5 DFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000330617848 427276096 /nfs/dbraw/zinc/27/60/96/427276096.db2.gz GSFWUXMYKRJDKR-CHWSQXEVSA-N 1 2 308.378 2.991 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC=C(C)CC1 ZINC000270365735 427334587 /nfs/dbraw/zinc/33/45/87/427334587.db2.gz SJKMKZQMJHFLSQ-LBPRGKRZSA-N 1 2 319.361 2.582 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC=C(C)CC1 ZINC000270365735 427334593 /nfs/dbraw/zinc/33/45/93/427334593.db2.gz SJKMKZQMJHFLSQ-LBPRGKRZSA-N 1 2 319.361 2.582 20 5 DFBDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000331117408 427347114 /nfs/dbraw/zinc/34/71/14/427347114.db2.gz MTFQIKFWOANXFK-NHYWBVRUSA-N 1 2 306.362 2.677 20 5 DFBDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000331117408 427347118 /nfs/dbraw/zinc/34/71/18/427347118.db2.gz MTFQIKFWOANXFK-NHYWBVRUSA-N 1 2 306.362 2.677 20 5 DFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@@H](O)C2)c1 ZINC000293632089 427387290 /nfs/dbraw/zinc/38/72/90/427387290.db2.gz WVNQQZWGSNVFOA-LLVKDONJSA-N 1 2 304.268 2.570 20 5 DFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000293632089 427387295 /nfs/dbraw/zinc/38/72/95/427387295.db2.gz WVNQQZWGSNVFOA-LLVKDONJSA-N 1 2 304.268 2.570 20 5 DFBDLO COC(=O)[C@H](C)[N@H+](Cc1ccc([N+](=O)[O-])cc1C)C1CCC1 ZINC000191651454 427399973 /nfs/dbraw/zinc/39/99/73/427399973.db2.gz ZJNWGUJDTSEXRP-LBPRGKRZSA-N 1 2 306.362 2.819 20 5 DFBDLO COC(=O)[C@H](C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)C1CCC1 ZINC000191651454 427399979 /nfs/dbraw/zinc/39/99/79/427399979.db2.gz ZJNWGUJDTSEXRP-LBPRGKRZSA-N 1 2 306.362 2.819 20 5 DFBDLO COc1ccc2c(c1)OCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000338635841 427419480 /nfs/dbraw/zinc/41/94/80/427419480.db2.gz DPJXRYHWIZMXOO-UHFFFAOYSA-N 1 2 314.341 2.998 20 5 DFBDLO COc1ccc2c(c1)OCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000338635841 427419489 /nfs/dbraw/zinc/41/94/89/427419489.db2.gz DPJXRYHWIZMXOO-UHFFFAOYSA-N 1 2 314.341 2.998 20 5 DFBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N(C)CCCn1cc[nH+]c1 ZINC000286052035 427412140 /nfs/dbraw/zinc/41/21/40/427412140.db2.gz AXWCQAZPRNNMCE-UHFFFAOYSA-N 1 2 302.334 2.520 20 5 DFBDLO COC[C@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccco1 ZINC000184404738 427453209 /nfs/dbraw/zinc/45/32/09/427453209.db2.gz BQCQNKOQZBGEDN-LBPRGKRZSA-N 1 2 324.308 2.813 20 5 DFBDLO CCn1cc[nH+]c1CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000297899304 427481311 /nfs/dbraw/zinc/48/13/11/427481311.db2.gz SHYNMYMGZQKMIM-UHFFFAOYSA-N 1 2 317.349 2.750 20 5 DFBDLO COc1cc(C[N@H+](C)[C@@H](C)c2cnn(C)c2)c([N+](=O)[O-])cc1F ZINC000184329042 427440579 /nfs/dbraw/zinc/44/05/79/427440579.db2.gz WICCFRYRKPPLMX-JTQLQIEISA-N 1 2 322.340 2.669 20 5 DFBDLO COc1cc(C[N@@H+](C)[C@@H](C)c2cnn(C)c2)c([N+](=O)[O-])cc1F ZINC000184329042 427440587 /nfs/dbraw/zinc/44/05/87/427440587.db2.gz WICCFRYRKPPLMX-JTQLQIEISA-N 1 2 322.340 2.669 20 5 DFBDLO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccc(C)o1 ZINC000184653194 427511851 /nfs/dbraw/zinc/51/18/51/427511851.db2.gz CETAUOZDKGADQI-AWEZNQCLSA-N 1 2 320.345 2.982 20 5 DFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000332195718 427541031 /nfs/dbraw/zinc/54/10/31/427541031.db2.gz ALDAWZPLEJDWFQ-QKVFXAPYSA-N 1 2 310.419 2.889 20 5 DFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000332195718 427541037 /nfs/dbraw/zinc/54/10/37/427541037.db2.gz ALDAWZPLEJDWFQ-QKVFXAPYSA-N 1 2 310.419 2.889 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCS[C@H](C)CC1 ZINC000332358573 427590829 /nfs/dbraw/zinc/59/08/29/427590829.db2.gz QHPYKHXESDIKIS-GFCCVEGCSA-N 1 2 323.418 2.669 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCS[C@H](C)CC1 ZINC000332358573 427590834 /nfs/dbraw/zinc/59/08/34/427590834.db2.gz QHPYKHXESDIKIS-GFCCVEGCSA-N 1 2 323.418 2.669 20 5 DFBDLO Cc1cc[nH+]c(C)c1NC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000287541006 427635052 /nfs/dbraw/zinc/63/50/52/427635052.db2.gz OGAFACYTWYISQK-UHFFFAOYSA-N 1 2 314.345 2.971 20 5 DFBDLO CN(Cc1[nH+]ccn1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000339038347 427639742 /nfs/dbraw/zinc/63/97/42/427639742.db2.gz BAYZTFKWQSMCAK-UHFFFAOYSA-N 1 2 323.740 2.646 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000339075487 427661355 /nfs/dbraw/zinc/66/13/55/427661355.db2.gz INODZSADMDKMGX-OAHLLOKOSA-N 1 2 306.362 2.691 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000339075487 427661361 /nfs/dbraw/zinc/66/13/61/427661361.db2.gz INODZSADMDKMGX-OAHLLOKOSA-N 1 2 306.362 2.691 20 5 DFBDLO Cc1c[nH+]c(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)n1C ZINC000342795059 272054632 /nfs/dbraw/zinc/05/46/32/272054632.db2.gz WBZNWZIGYQDZRK-UHFFFAOYSA-N 1 2 300.362 2.801 20 5 DFBDLO C[C@H]1CC[C@@H]1Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000343816740 272225258 /nfs/dbraw/zinc/22/52/58/272225258.db2.gz XKWNHHHRMYKINK-JSGCOSHPSA-N 1 2 305.378 2.637 20 5 DFBDLO CC[C@@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1[nH]cc[nH+]1 ZINC000336873986 427770165 /nfs/dbraw/zinc/77/01/65/427770165.db2.gz WLBKVYASVIRCOH-SNVBAGLBSA-N 1 2 315.333 2.766 20 5 DFBDLO Cc1cc(NCc2ccnn2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301066507 427773028 /nfs/dbraw/zinc/77/30/28/427773028.db2.gz APTJGIYURDGIQF-UHFFFAOYSA-N 1 2 324.344 2.706 20 5 DFBDLO O=[N+]([O-])c1ccc(N2CCC[N@H+](Cc3cscn3)CC2)cc1 ZINC000301162037 427779205 /nfs/dbraw/zinc/77/92/05/427779205.db2.gz SIWBIDUBKYYUID-UHFFFAOYSA-N 1 2 318.402 2.764 20 5 DFBDLO O=[N+]([O-])c1ccc(N2CCC[N@@H+](Cc3cscn3)CC2)cc1 ZINC000301162037 427779207 /nfs/dbraw/zinc/77/92/07/427779207.db2.gz SIWBIDUBKYYUID-UHFFFAOYSA-N 1 2 318.402 2.764 20 5 DFBDLO Cc1ccnc(NC2CCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000301257442 427785258 /nfs/dbraw/zinc/78/52/58/427785258.db2.gz DTKHZDRUNUHYMI-UHFFFAOYSA-N 1 2 313.361 2.774 20 5 DFBDLO CNc1ccc(Nc2ncc([N+](=O)[O-])cc2Br)c[nH+]1 ZINC000301561016 427805683 /nfs/dbraw/zinc/80/56/83/427805683.db2.gz UHLVRNVDSKWNGP-UHFFFAOYSA-N 1 2 324.138 2.933 20 5 DFBDLO CC[C@H](O)CCNc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301638225 427811699 /nfs/dbraw/zinc/81/16/99/427811699.db2.gz APHHIVWYNUOTAL-AWEZNQCLSA-N 1 2 316.361 2.933 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000339774870 427826855 /nfs/dbraw/zinc/82/68/55/427826855.db2.gz YCEHDENXRXZAEQ-MRXNPFEDSA-N 1 2 320.389 2.994 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000339774870 427826858 /nfs/dbraw/zinc/82/68/58/427826858.db2.gz YCEHDENXRXZAEQ-MRXNPFEDSA-N 1 2 320.389 2.994 20 5 DFBDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@]2(CCOC2)O1 ZINC000355665717 427840260 /nfs/dbraw/zinc/84/02/60/427840260.db2.gz VTGMZKJNPQNMCQ-HOCLYGCPSA-N 1 2 324.352 2.504 20 5 DFBDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@]2(CCOC2)O1 ZINC000355665717 427840266 /nfs/dbraw/zinc/84/02/66/427840266.db2.gz VTGMZKJNPQNMCQ-HOCLYGCPSA-N 1 2 324.352 2.504 20 5 DFBDLO O=[N+]([O-])c1ccc(F)cc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000302787180 427870907 /nfs/dbraw/zinc/87/09/07/427870907.db2.gz AAMVHIZNRKOFHP-LBPRGKRZSA-N 1 2 302.309 2.820 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)c1cccc(F)c1 ZINC000359543409 427902968 /nfs/dbraw/zinc/90/29/68/427902968.db2.gz UVJMSZBBCSWIIG-OAHLLOKOSA-N 1 2 320.320 2.566 20 5 DFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@H]1CC[C@H](F)C1 ZINC000340916372 427950250 /nfs/dbraw/zinc/95/02/50/427950250.db2.gz PDNGLKAQBOWDGV-KBPBESRZSA-N 1 2 323.368 2.730 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000369878500 428081438 /nfs/dbraw/zinc/08/14/38/428081438.db2.gz ROCCTSKZRMRAIN-GDBMZVCRSA-N 1 2 324.352 2.504 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000369878500 428081441 /nfs/dbraw/zinc/08/14/41/428081441.db2.gz ROCCTSKZRMRAIN-GDBMZVCRSA-N 1 2 324.352 2.504 20 5 DFBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)c(Cl)c1 ZINC000359959613 428094888 /nfs/dbraw/zinc/09/48/88/428094888.db2.gz MVZWZBRUNHVEDZ-LLVKDONJSA-N 1 2 306.753 2.618 20 5 DFBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000377315223 428104687 /nfs/dbraw/zinc/10/46/87/428104687.db2.gz BOQKPTZLPMFTEU-GPAKFWEMSA-N 1 2 312.329 2.695 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000360086982 428153679 /nfs/dbraw/zinc/15/36/79/428153679.db2.gz FUZNYOGYWLSOCZ-UHFFFAOYSA-N 1 2 306.362 2.606 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOCC2(CC2)C1 ZINC000360086982 428153684 /nfs/dbraw/zinc/15/36/84/428153684.db2.gz FUZNYOGYWLSOCZ-UHFFFAOYSA-N 1 2 306.362 2.606 20 5 DFBDLO Cc1c(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)cccc1[N+](=O)[O-] ZINC000341685882 428156896 /nfs/dbraw/zinc/15/68/96/428156896.db2.gz DQNMRQRGGAZETC-CQSZACIVSA-N 1 2 314.345 2.518 20 5 DFBDLO CC1(C)CC[C@@H](C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)O1 ZINC000352708017 428214669 /nfs/dbraw/zinc/21/46/69/428214669.db2.gz UVQJFDJWFWFZQE-AWEZNQCLSA-N 1 2 306.362 2.747 20 5 DFBDLO CC1(C)CC[C@@H](C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)O1 ZINC000352708017 428214671 /nfs/dbraw/zinc/21/46/71/428214671.db2.gz UVQJFDJWFWFZQE-AWEZNQCLSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1cc(C[N@@H+]2CCc3ccc(O)cc3C2)ccc1[N+](=O)[O-] ZINC000352779841 428244466 /nfs/dbraw/zinc/24/44/66/428244466.db2.gz QZZQZWJNUFXWIM-UHFFFAOYSA-N 1 2 314.341 2.867 20 5 DFBDLO COc1cc(C[N@H+]2CCc3ccc(O)cc3C2)ccc1[N+](=O)[O-] ZINC000352779841 428244471 /nfs/dbraw/zinc/24/44/71/428244471.db2.gz QZZQZWJNUFXWIM-UHFFFAOYSA-N 1 2 314.341 2.867 20 5 DFBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2noc3c2CCCC3)c(F)c1 ZINC000342317368 428400764 /nfs/dbraw/zinc/40/07/64/428400764.db2.gz XRIOCLZZIRUDES-UHFFFAOYSA-N 1 2 305.309 2.891 20 5 DFBDLO Cc1cc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc([N+](=O)[O-])c1 ZINC000371171970 428373353 /nfs/dbraw/zinc/37/33/53/428373353.db2.gz ZKGKOADZIUYFCI-UHFFFAOYSA-N 1 2 314.345 2.646 20 5 DFBDLO Cc1cc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc([N+](=O)[O-])c1 ZINC000371171970 428373358 /nfs/dbraw/zinc/37/33/58/428373358.db2.gz ZKGKOADZIUYFCI-UHFFFAOYSA-N 1 2 314.345 2.646 20 5 DFBDLO COc1cc(C[N@@H+]2CCC[C@@H]2c2nc(C)no2)ccc1[N+](=O)[O-] ZINC000353559194 428595801 /nfs/dbraw/zinc/59/58/01/428595801.db2.gz ZUVDJIFLLNTDFB-CYBMUJFWSA-N 1 2 318.333 2.632 20 5 DFBDLO COc1cc(C[N@H+]2CCC[C@@H]2c2nc(C)no2)ccc1[N+](=O)[O-] ZINC000353559194 428595805 /nfs/dbraw/zinc/59/58/05/428595805.db2.gz ZUVDJIFLLNTDFB-CYBMUJFWSA-N 1 2 318.333 2.632 20 5 DFBDLO Cc1cn2c([nH+]1)CN(Cc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000374681850 428729905 /nfs/dbraw/zinc/72/99/05/428729905.db2.gz XKESSXMIMQCUOU-UHFFFAOYSA-N 1 2 306.753 2.769 20 5 DFBDLO C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1cn[nH]c1 ZINC000358792854 428677949 /nfs/dbraw/zinc/67/79/49/428677949.db2.gz PAGVRQCFTRVPJE-JTQLQIEISA-N 1 2 313.317 2.824 20 5 DFBDLO Cc1ccc(C[N@@H+]2CCO[C@H](COCC3CC3)C2)cc1[N+](=O)[O-] ZINC000362524626 428786483 /nfs/dbraw/zinc/78/64/83/428786483.db2.gz IOKVCLAUTZIQHR-INIZCTEOSA-N 1 2 320.389 2.531 20 5 DFBDLO Cc1ccc(C[N@H+]2CCO[C@H](COCC3CC3)C2)cc1[N+](=O)[O-] ZINC000362524626 428786489 /nfs/dbraw/zinc/78/64/89/428786489.db2.gz IOKVCLAUTZIQHR-INIZCTEOSA-N 1 2 320.389 2.531 20 5 DFBDLO Cc1cnc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000348417321 428737506 /nfs/dbraw/zinc/73/75/06/428737506.db2.gz TZKWVXUADCWLMS-MNOVXSKESA-N 1 2 318.333 2.569 20 5 DFBDLO Cc1nnc([C@H]2CC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)[nH]1 ZINC000412042048 428920453 /nfs/dbraw/zinc/92/04/53/428920453.db2.gz NRAUXEXYSRBJBD-NSHDSACASA-N 1 2 321.768 2.664 20 5 DFBDLO Cc1nnc([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)[nH]1 ZINC000412042048 428920457 /nfs/dbraw/zinc/92/04/57/428920457.db2.gz NRAUXEXYSRBJBD-NSHDSACASA-N 1 2 321.768 2.664 20 5 DFBDLO Cc1n[nH]c([C@H]2CC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000412042048 428920463 /nfs/dbraw/zinc/92/04/63/428920463.db2.gz NRAUXEXYSRBJBD-NSHDSACASA-N 1 2 321.768 2.664 20 5 DFBDLO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000412042048 428920467 /nfs/dbraw/zinc/92/04/67/428920467.db2.gz NRAUXEXYSRBJBD-NSHDSACASA-N 1 2 321.768 2.664 20 5 DFBDLO Cc1nc([C@H]2CC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000412042048 428920471 /nfs/dbraw/zinc/92/04/71/428920471.db2.gz NRAUXEXYSRBJBD-NSHDSACASA-N 1 2 321.768 2.664 20 5 DFBDLO Cc1nc([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000412042048 428920475 /nfs/dbraw/zinc/92/04/75/428920475.db2.gz NRAUXEXYSRBJBD-NSHDSACASA-N 1 2 321.768 2.664 20 5 DFBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)(F)F ZINC000452455509 429117538 /nfs/dbraw/zinc/11/75/38/429117538.db2.gz GYAIILWIOWUEKC-VIFPVBQESA-N 1 2 324.287 2.554 20 5 DFBDLO COC(=O)CCCCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413025792 429124891 /nfs/dbraw/zinc/12/48/91/429124891.db2.gz HRZJNSZMCMFPFC-UHFFFAOYSA-N 1 2 317.345 3.288 20 5 DFBDLO CC(C)n1c[nH+]cc1CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000425330769 429267506 /nfs/dbraw/zinc/26/75/06/429267506.db2.gz BXGGDUPLGSZSRN-UHFFFAOYSA-N 1 2 300.362 2.931 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)OC[C@H]1CC ZINC000505617469 429342605 /nfs/dbraw/zinc/34/26/05/429342605.db2.gz ZBABVKRFDRHWMC-GXTWGEPZSA-N 1 2 308.378 2.993 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)OC[C@H]1CC ZINC000505617469 429342611 /nfs/dbraw/zinc/34/26/11/429342611.db2.gz ZBABVKRFDRHWMC-GXTWGEPZSA-N 1 2 308.378 2.993 20 5 DFBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000446048762 429295207 /nfs/dbraw/zinc/29/52/07/429295207.db2.gz XNDBINBNXHOJEA-UHFFFAOYSA-N 1 2 308.725 2.552 20 5 DFBDLO CCc1ccc(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000456420506 429303440 /nfs/dbraw/zinc/30/34/40/429303440.db2.gz MSJPANQOFWTKMP-GXFFZTMASA-N 1 2 314.345 2.790 20 5 DFBDLO Cc1c(CN(C)c2[nH+]ccc3ccc([N+](=O)[O-])cc32)cnn1C ZINC000518126344 429410188 /nfs/dbraw/zinc/41/01/88/429410188.db2.gz ZGHUJQQXFJTJMU-UHFFFAOYSA-N 1 2 311.345 2.821 20 5 DFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000519061725 429445801 /nfs/dbraw/zinc/44/58/01/429445801.db2.gz HKVHGOZZORGOFB-UHFFFAOYSA-N 1 2 323.312 2.941 20 5 DFBDLO CCCn1ccnc1-c1cccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000366141635 429424907 /nfs/dbraw/zinc/42/49/07/429424907.db2.gz BYBDHQFNPNGQHS-ZIAGYGMSSA-N 1 2 314.345 2.564 20 5 DFBDLO CCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000366141635 429424910 /nfs/dbraw/zinc/42/49/10/429424910.db2.gz BYBDHQFNPNGQHS-ZIAGYGMSSA-N 1 2 314.345 2.564 20 5 DFBDLO C[C@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000366579664 429481104 /nfs/dbraw/zinc/48/11/04/429481104.db2.gz RKKHNDCEPIMGHK-BLLLJJGKSA-N 1 2 324.352 2.504 20 5 DFBDLO C[C@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000366579664 429481109 /nfs/dbraw/zinc/48/11/09/429481109.db2.gz RKKHNDCEPIMGHK-BLLLJJGKSA-N 1 2 324.352 2.504 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1c1[nH+]ccn1C ZINC000366698013 429496793 /nfs/dbraw/zinc/49/67/93/429496793.db2.gz RLBQQUNGJNWYCY-CQSZACIVSA-N 1 2 316.361 2.674 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCCC[C@H]2C2(O)CC2)c(F)c1 ZINC000519870224 429498056 /nfs/dbraw/zinc/49/80/56/429498056.db2.gz SVAMZBFWHQRVBY-AWEZNQCLSA-N 1 2 312.316 2.752 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCCC[C@H]2C2(O)CC2)c(F)c1 ZINC000519870224 429498061 /nfs/dbraw/zinc/49/80/61/429498061.db2.gz SVAMZBFWHQRVBY-AWEZNQCLSA-N 1 2 312.316 2.752 20 5 DFBDLO CC(C)([NH2+]Cc1nnc(C2CC2)[nH]1)c1ccccc1[N+](=O)[O-] ZINC000429237742 429589136 /nfs/dbraw/zinc/58/91/36/429589136.db2.gz PWHSBSPQYWVHBS-UHFFFAOYSA-N 1 2 301.350 2.615 20 5 DFBDLO Cc1cc(NC2CC(F)(F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000428648245 429541067 /nfs/dbraw/zinc/54/10/67/429541067.db2.gz CLGAPXHYTAWDEG-UHFFFAOYSA-N 1 2 320.299 2.992 20 5 DFBDLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1c(F)cccc1[N+](=O)[O-] ZINC000429542263 429614570 /nfs/dbraw/zinc/61/45/70/429614570.db2.gz XPKVPERHKIBANM-UHFFFAOYSA-N 1 2 318.352 2.899 20 5 DFBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1c[nH+]c2n1CCCC2 ZINC000493061135 429679626 /nfs/dbraw/zinc/67/96/26/429679626.db2.gz JGLUHPYBDRWPOS-RMKNXTFCSA-N 1 2 312.329 2.780 20 5 DFBDLO C[C@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450966653 429739991 /nfs/dbraw/zinc/73/99/91/429739991.db2.gz HBULDAOGCCMOPS-WCQYABFASA-N 1 2 314.345 2.699 20 5 DFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000493544146 429782774 /nfs/dbraw/zinc/78/27/74/429782774.db2.gz BTKULNFEGWMUCH-BCPZQOPPSA-N 1 2 314.345 2.702 20 5 DFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](F)C1 ZINC000451200810 429787750 /nfs/dbraw/zinc/78/77/50/429787750.db2.gz TZTXWXVSGIFXOW-GXSJLCMTSA-N 1 2 306.297 2.750 20 5 DFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](F)C1 ZINC000451200810 429787755 /nfs/dbraw/zinc/78/77/55/429787755.db2.gz TZTXWXVSGIFXOW-GXSJLCMTSA-N 1 2 306.297 2.750 20 5 DFBDLO CC(C)([NH2+]Cc1ccccc1[N+](=O)[O-])c1nnc2n1CCCC2 ZINC000451414185 429823883 /nfs/dbraw/zinc/82/38/83/429823883.db2.gz RTZAGYZNPPKALY-UHFFFAOYSA-N 1 2 315.377 2.548 20 5 DFBDLO C[C@H]1OCC[C@]12C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000369410324 429938657 /nfs/dbraw/zinc/93/86/57/429938657.db2.gz WNDZPLKJUVUWSY-HSMVNMDESA-N 1 2 324.352 2.502 20 5 DFBDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000369410324 429938658 /nfs/dbraw/zinc/93/86/58/429938658.db2.gz WNDZPLKJUVUWSY-HSMVNMDESA-N 1 2 324.352 2.502 20 5 DFBDLO C[C@@H](C(=O)NCc1cn2ccccc2[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000559338519 430004932 /nfs/dbraw/zinc/00/49/32/430004932.db2.gz PQEGTRGLLUWJNN-GFCCVEGCSA-N 1 2 324.340 2.662 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCn2cccc2[C@H]1C ZINC000373727816 277389734 /nfs/dbraw/zinc/38/97/34/277389734.db2.gz NBVMYSIJDSGUCY-GFCCVEGCSA-N 1 2 301.346 2.982 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCn2cccc2[C@H]1C ZINC000373727816 277389736 /nfs/dbraw/zinc/38/97/36/277389736.db2.gz NBVMYSIJDSGUCY-GFCCVEGCSA-N 1 2 301.346 2.982 20 5 DFBDLO COc1cccc(N2CCC(n3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000185301020 277455788 /nfs/dbraw/zinc/45/57/88/277455788.db2.gz JJCPTZIPPADULL-UHFFFAOYSA-N 1 2 302.334 2.641 20 5 DFBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@@H]1CCC3(CCCC3)O1)CC2 ZINC000548914647 430510610 /nfs/dbraw/zinc/51/06/10/430510610.db2.gz NCAWRNXSTCRXNZ-HNNXBMFYSA-N 1 2 317.389 2.840 20 5 DFBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@@H]1CCC3(CCCC3)O1)CC2 ZINC000548914647 430510612 /nfs/dbraw/zinc/51/06/12/430510612.db2.gz NCAWRNXSTCRXNZ-HNNXBMFYSA-N 1 2 317.389 2.840 20 5 DFBDLO COc1cc(N2CCC(n3cc[nH+]c3)CC2)c([N+](=O)[O-])cc1F ZINC000301639853 277824928 /nfs/dbraw/zinc/82/49/28/277824928.db2.gz YIAIKNDYKNWNMS-UHFFFAOYSA-N 1 2 320.324 2.781 20 5 DFBDLO CCOc1cc(C[NH+]2CC(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000570593591 430557777 /nfs/dbraw/zinc/55/77/77/430557777.db2.gz DFARQGWCNSTDOA-UHFFFAOYSA-N 1 2 304.268 2.988 20 5 DFBDLO CC(C)c1ccc(C[N@@H+]2CC[S@@](=O)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000365445215 278036678 /nfs/dbraw/zinc/03/66/78/278036678.db2.gz CADHYSAZSCNXAS-MCMMXHMISA-N 1 2 324.446 2.919 20 5 DFBDLO CC(C)c1ccc(C[N@H+]2CC[S@@](=O)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000365445215 278036680 /nfs/dbraw/zinc/03/66/80/278036680.db2.gz CADHYSAZSCNXAS-MCMMXHMISA-N 1 2 324.446 2.919 20 5 DFBDLO C[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000177897443 279079795 /nfs/dbraw/zinc/07/97/95/279079795.db2.gz LGFFHACETGFWMS-VHSXEESVSA-N 1 2 311.769 2.917 20 5 DFBDLO C[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000177897443 279079797 /nfs/dbraw/zinc/07/97/97/279079797.db2.gz LGFFHACETGFWMS-VHSXEESVSA-N 1 2 311.769 2.917 20 5 DFBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000285433773 280374462 /nfs/dbraw/zinc/37/44/62/280374462.db2.gz HTCFGQPBOCNAJB-UHFFFAOYSA-N 1 2 300.314 2.695 20 5 DFBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCOc2cc(O)ccc2C1 ZINC000285433773 280374464 /nfs/dbraw/zinc/37/44/64/280374464.db2.gz HTCFGQPBOCNAJB-UHFFFAOYSA-N 1 2 300.314 2.695 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCN1CC(F)F ZINC000153552038 289050340 /nfs/dbraw/zinc/05/03/40/289050340.db2.gz YRVOXPJAPDWCCF-CYBMUJFWSA-N 1 2 313.348 2.756 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCN1CC(F)F ZINC000153552038 289050344 /nfs/dbraw/zinc/05/03/44/289050344.db2.gz YRVOXPJAPDWCCF-CYBMUJFWSA-N 1 2 313.348 2.756 20 5 DFBDLO COc1ccc(C[N@@H+]2CCCC[C@@]2(C)C(N)=O)cc1[N+](=O)[O-] ZINC000330814802 295129013 /nfs/dbraw/zinc/12/90/13/295129013.db2.gz BWOXTUFIFMQCBO-HNNXBMFYSA-N 1 2 307.350 2.883 20 5 DFBDLO COc1ccc(C[N@H+]2CCCC[C@@]2(C)C(N)=O)cc1[N+](=O)[O-] ZINC000330814802 295129014 /nfs/dbraw/zinc/12/90/14/295129014.db2.gz BWOXTUFIFMQCBO-HNNXBMFYSA-N 1 2 307.350 2.883 20 5 DFBDLO O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@@H]3c3[nH]cc[nH+]3)nc2c1 ZINC000444683953 297245278 /nfs/dbraw/zinc/24/52/78/297245278.db2.gz GZXXOMAAJFWQJS-CYBMUJFWSA-N 1 2 312.333 2.531 20 5 DFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCC1CC1 ZINC000447816751 297318292 /nfs/dbraw/zinc/31/82/92/297318292.db2.gz KGRNICZIRFYFEF-UHFFFAOYSA-N 1 2 305.378 2.639 20 5 DFBDLO CCCN(CC)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448672350 297355008 /nfs/dbraw/zinc/35/50/08/297355008.db2.gz CONHUQZWCNWQRU-UHFFFAOYSA-N 1 2 302.334 2.653 20 5 DFBDLO C[C@@H]1CC[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450108566 297587470 /nfs/dbraw/zinc/58/74/70/297587470.db2.gz WNJQMNBJYWZXDL-TXEJJXNPSA-N 1 2 314.345 2.794 20 5 DFBDLO CC[C@H]([NH2+]Cc1nc(C(=O)OC)co1)c1cccc([N+](=O)[O-])c1 ZINC000450690357 297669056 /nfs/dbraw/zinc/66/90/56/297669056.db2.gz ZAHYVCDRXWWSEK-LBPRGKRZSA-N 1 2 319.317 2.610 20 5 DFBDLO CC(C)C1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000452485138 297983546 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318.373 2.644 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000575967916 318095105 /nfs/dbraw/zinc/09/51/05/318095105.db2.gz JIUKUVQNOYAMOO-LRDDRELGSA-N 1 2 318.373 2.644 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000575967916 318095108 /nfs/dbraw/zinc/09/51/08/318095108.db2.gz JIUKUVQNOYAMOO-LRDDRELGSA-N 1 2 318.373 2.644 20 5 DFBDLO Cc1noc([C@@H](C)[N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000577747200 318214644 /nfs/dbraw/zinc/21/46/44/318214644.db2.gz TUNCAOVUIHWDQI-BPOWMSRESA-N 1 2 302.334 2.992 20 5 DFBDLO Cc1noc([C@@H](C)[N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000577747200 318214646 /nfs/dbraw/zinc/21/46/46/318214646.db2.gz TUNCAOVUIHWDQI-BPOWMSRESA-N 1 2 302.334 2.992 20 5 DFBDLO Cc1noc([C@H](C)[N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000577747202 318214702 /nfs/dbraw/zinc/21/47/02/318214702.db2.gz TUNCAOVUIHWDQI-JYKYSHPRSA-N 1 2 302.334 2.992 20 5 DFBDLO 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SZKUHESTINBKNW-UHFFFAOYSA-N 1 2 303.709 2.903 20 5 DFBDLO O=[N+]([O-])c1ccccc1C[NH+]1CCN(Cc2ccsc2)CC1 ZINC000016426560 398400552 /nfs/dbraw/zinc/40/05/52/398400552.db2.gz HHBYVPBGLLHYPB-UHFFFAOYSA-N 1 2 317.414 2.974 20 5 DFBDLO O=[N+]([O-])c1cnccc1NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000066809194 398400075 /nfs/dbraw/zinc/40/00/75/398400075.db2.gz IKUVIJLPYZRUQE-UHFFFAOYSA-N 1 2 313.361 2.987 20 5 DFBDLO CCc1nn(C)c(NCCCc2[nH+]cccc2C)c1[N+](=O)[O-] ZINC000295038873 529767750 /nfs/dbraw/zinc/76/77/50/529767750.db2.gz SNYYLOYQUVISRB-UHFFFAOYSA-N 1 2 303.366 2.639 20 5 DFBDLO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1csc([N+](=O)[O-])c1 ZINC000296662732 529916041 /nfs/dbraw/zinc/91/60/41/529916041.db2.gz XTOSSWHUUXNUNZ-UHFFFAOYSA-N 1 2 315.395 2.613 20 5 DFBDLO C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1csc([N+](=O)[O-])c1 ZINC000296662732 529916042 /nfs/dbraw/zinc/91/60/42/529916042.db2.gz XTOSSWHUUXNUNZ-UHFFFAOYSA-N 1 2 315.395 2.613 20 5 DFBDLO C[C@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@]1(C)CO ZINC000596545029 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398558165 /nfs/dbraw/zinc/55/81/65/398558165.db2.gz BHQDFAOYVOXLHK-GWCFXTLKSA-N 1 2 310.325 2.561 20 5 DFBDLO O=[N+]([O-])c1cccnc1NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000041817277 398573809 /nfs/dbraw/zinc/57/38/09/398573809.db2.gz WLWDTNOJNQXYMK-UHFFFAOYSA-N 1 2 303.709 2.903 20 5 DFBDLO CN(Cc1c[nH+]c[nH]1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000597171589 398581701 /nfs/dbraw/zinc/58/17/01/398581701.db2.gz WPFKGWDZQRFPOH-UHFFFAOYSA-N 1 2 312.276 2.551 20 5 DFBDLO CN(Cc1c[nH]c[nH+]1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000597171589 398581704 /nfs/dbraw/zinc/58/17/04/398581704.db2.gz WPFKGWDZQRFPOH-UHFFFAOYSA-N 1 2 312.276 2.551 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000590565519 398631656 /nfs/dbraw/zinc/63/16/56/398631656.db2.gz WCBGNOYNYWUXDD-LLVKDONJSA-N 1 2 302.334 2.734 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCc2ccc(F)cc2C1 ZINC000093383704 398635707 /nfs/dbraw/zinc/63/57/07/398635707.db2.gz JWCCVBIYKZRFAB-UHFFFAOYSA-N 1 2 302.305 2.998 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCc2ccc(F)cc2C1 ZINC000093383704 398635710 /nfs/dbraw/zinc/63/57/10/398635710.db2.gz JWCCVBIYKZRFAB-UHFFFAOYSA-N 1 2 302.305 2.998 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000173354057 186179652 /nfs/dbraw/zinc/17/96/52/186179652.db2.gz OPIWGLDZQSXFAP-UHFFFAOYSA-N 1 2 314.345 2.577 20 5 DFBDLO O=[N+]([O-])c1cccnc1NCc1ccccc1Cn1cc[nH+]c1 ZINC000073180717 398666716 /nfs/dbraw/zinc/66/67/16/398666716.db2.gz DPHOVGXEIKDDOV-UHFFFAOYSA-N 1 2 309.329 2.847 20 5 DFBDLO CC(C)CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000045472322 398674097 /nfs/dbraw/zinc/67/40/97/398674097.db2.gz ZOCVHKVPLFMRTH-UHFFFAOYSA-N 1 2 316.361 2.899 20 5 DFBDLO CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccoc1 ZINC000102409375 398677582 /nfs/dbraw/zinc/67/75/82/398677582.db2.gz LNUIQEKAIXLPMR-UHFFFAOYSA-N 1 2 303.318 2.648 20 5 DFBDLO CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccoc1 ZINC000102409375 398677586 /nfs/dbraw/zinc/67/75/86/398677586.db2.gz LNUIQEKAIXLPMR-UHFFFAOYSA-N 1 2 303.318 2.648 20 5 DFBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccon3)CC2)cc1 ZINC000174245524 198309919 /nfs/dbraw/zinc/30/99/19/198309919.db2.gz YAZIDGQTZUHZBI-UHFFFAOYSA-N 1 2 303.318 2.626 20 5 DFBDLO CC1CCC(NC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000046598901 398712858 /nfs/dbraw/zinc/71/28/58/398712858.db2.gz GHWWQCIAOMGOES-UHFFFAOYSA-N 1 2 319.405 2.722 20 5 DFBDLO CC1CCC(NC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000046598901 398712861 /nfs/dbraw/zinc/71/28/61/398712861.db2.gz GHWWQCIAOMGOES-UHFFFAOYSA-N 1 2 319.405 2.722 20 5 DFBDLO CC(C)[C@@H](C)NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130955490 283067377 /nfs/dbraw/zinc/06/73/77/283067377.db2.gz NCJBMZUAGXWHIU-CYBMUJFWSA-N 1 2 319.405 2.720 20 5 DFBDLO CC1(C)CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC[C@H]1O ZINC000591156138 398734340 /nfs/dbraw/zinc/73/43/40/398734340.db2.gz YIKODNUSBBGKOU-CQSZACIVSA-N 1 2 301.346 2.740 20 5 DFBDLO O=[N+]([O-])c1c(NCCCNc2cccc[nH+]2)nc2sccn21 ZINC000047405182 398747569 /nfs/dbraw/zinc/74/75/69/398747569.db2.gz NHPVMGPNXYOZFR-UHFFFAOYSA-N 1 2 318.362 2.613 20 5 DFBDLO Cc1ccc(C(=O)Nc2ccc[nH+]c2N(C)C)cc1[N+](=O)[O-] ZINC000047976396 398766983 /nfs/dbraw/zinc/76/69/83/398766983.db2.gz KCWBCEKGPBVUDS-UHFFFAOYSA-N 1 2 300.318 2.617 20 5 DFBDLO Cc1noc(C)c1C[NH+]1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000050931495 398814517 /nfs/dbraw/zinc/81/45/17/398814517.db2.gz DLMQPKAWXWEGCL-UHFFFAOYSA-N 1 2 322.390 2.583 20 5 DFBDLO CC(C)c1ccc(C(=O)N[C@@H](C)c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000598466330 398817690 /nfs/dbraw/zinc/81/76/90/398817690.db2.gz YPVSIZNRNPUFNM-NSHDSACASA-N 1 2 316.361 2.943 20 5 DFBDLO CSc1ccc(C(=O)N[C@H](C)c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000598459626 398816508 /nfs/dbraw/zinc/81/65/08/398816508.db2.gz JPDOJOAMEFCFAV-SECBINFHSA-N 1 2 320.374 2.541 20 5 DFBDLO Cc1c[nH+]c(CCNc2ccc([N+](=O)[O-])c(N)c2F)c(C)c1 ZINC000594597420 398827651 /nfs/dbraw/zinc/82/76/51/398827651.db2.gz TXPJYBWFEDFEJS-UHFFFAOYSA-N 1 2 304.325 2.983 20 5 DFBDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000152629616 283332091 /nfs/dbraw/zinc/33/20/91/283332091.db2.gz ROJUPVOPEAROFR-UHFFFAOYSA-N 1 2 321.358 2.513 20 5 DFBDLO C[C@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@H]1CO ZINC000598636976 398844426 /nfs/dbraw/zinc/84/44/26/398844426.db2.gz JOQYYHLEJYEWMD-WCQYABFASA-N 1 2 301.346 2.598 20 5 DFBDLO C[C@@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@H]1CO ZINC000598636973 398844528 /nfs/dbraw/zinc/84/45/28/398844528.db2.gz JOQYYHLEJYEWMD-DGCLKSJQSA-N 1 2 301.346 2.598 20 5 DFBDLO CCn1cc[nH+]c1CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153280111 283360955 /nfs/dbraw/zinc/36/09/55/283360955.db2.gz PYHUSTJVFZVRNS-UHFFFAOYSA-N 1 2 300.362 2.976 20 5 DFBDLO CC(C)([NH2+]Cc1cn(C2CCC2)nn1)c1ccc([N+](=O)[O-])cc1 ZINC000594935246 398875634 /nfs/dbraw/zinc/87/56/34/398875634.db2.gz FETQNIYIIFUXMX-UHFFFAOYSA-N 1 2 315.377 2.936 20 5 DFBDLO C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c2ncnn21 ZINC000594958029 398881507 /nfs/dbraw/zinc/88/15/07/398881507.db2.gz XLUIOVGCTVKBEW-PELKAZGASA-N 1 2 307.741 2.635 20 5 DFBDLO COc1ccncc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595040690 398896505 /nfs/dbraw/zinc/89/65/05/398896505.db2.gz ZIYFQPSLXLLWHW-NSHDSACASA-N 1 2 317.345 2.858 20 5 DFBDLO CC[C@H]([NH2+][C@@H]1C[C@@H](C)n2ncnc21)c1cccc([N+](=O)[O-])c1 ZINC000595063001 398900242 /nfs/dbraw/zinc/90/02/42/398900242.db2.gz BQJWEGMCZCAYPU-DDTOSNHZSA-N 1 2 301.350 2.933 20 5 DFBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000143414100 398901705 /nfs/dbraw/zinc/90/17/05/398901705.db2.gz HXEFDFRTTJGVFO-UHFFFAOYSA-N 1 2 310.357 2.821 20 5 DFBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000143414100 398901709 /nfs/dbraw/zinc/90/17/09/398901709.db2.gz HXEFDFRTTJGVFO-UHFFFAOYSA-N 1 2 310.357 2.821 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC000595075649 398902533 /nfs/dbraw/zinc/90/25/33/398902533.db2.gz ZXXAYPNAGNNZPH-NRUUGDAUSA-N 1 2 317.349 2.552 20 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/nfs/dbraw/zinc/91/79/98/398917998.db2.gz XFWZGJDHVUHWJC-CQSZACIVSA-N 1 2 301.346 2.740 20 5 DFBDLO O=[N+]([O-])c1c(N[C@H]2CCc3[nH]c[nH+]c3C2)ccc2cnccc21 ZINC000599085435 398918699 /nfs/dbraw/zinc/91/86/99/398918699.db2.gz QTXHDNUCRIOFKI-NSHDSACASA-N 1 2 309.329 2.836 20 5 DFBDLO O=[N+]([O-])c1c(N[C@H]2CCc3[nH+]c[nH]c3C2)ccc2cnccc21 ZINC000599085435 398918703 /nfs/dbraw/zinc/91/87/03/398918703.db2.gz QTXHDNUCRIOFKI-NSHDSACASA-N 1 2 309.329 2.836 20 5 DFBDLO CON1CCC(N(C)c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599087912 398919320 /nfs/dbraw/zinc/91/93/20/398919320.db2.gz NTKZUPTWSHPDBU-UHFFFAOYSA-N 1 2 316.361 2.605 20 5 DFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@H](CCCO)C1 ZINC000599086934 398919410 /nfs/dbraw/zinc/91/94/10/398919410.db2.gz CKRSFBCWOBXYGW-LBPRGKRZSA-N 1 2 301.346 2.742 20 5 DFBDLO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595301748 398919400 /nfs/dbraw/zinc/91/94/00/398919400.db2.gz OEZJFEDSGOYLHR-CQSZACIVSA-N 1 2 323.368 2.615 20 5 DFBDLO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595301748 398919404 /nfs/dbraw/zinc/91/94/04/398919404.db2.gz OEZJFEDSGOYLHR-CQSZACIVSA-N 1 2 323.368 2.615 20 5 DFBDLO Cc1cc(C)n([C@@H]2CCC[N@H+](Cc3onc(C)c3[N+](=O)[O-])C2)n1 ZINC000595310850 398921223 /nfs/dbraw/zinc/92/12/23/398921223.db2.gz ITWRDUZWWADMJI-CYBMUJFWSA-N 1 2 319.365 2.542 20 5 DFBDLO Cc1cc(C)n([C@@H]2CCC[N@@H+](Cc3onc(C)c3[N+](=O)[O-])C2)n1 ZINC000595310850 398921224 /nfs/dbraw/zinc/92/12/24/398921224.db2.gz ITWRDUZWWADMJI-CYBMUJFWSA-N 1 2 319.365 2.542 20 5 DFBDLO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])c1 ZINC000595407945 398933592 /nfs/dbraw/zinc/93/35/92/398933592.db2.gz HYKIBLIDGSHLER-SECBINFHSA-N 1 2 321.333 2.759 20 5 DFBDLO Cc1noc(C[NH2+][C@@H](c2ccccc2)C(C)(C)CO)c1[N+](=O)[O-] ZINC000595461131 398942888 /nfs/dbraw/zinc/94/28/88/398942888.db2.gz MAGBNUAXWICWMC-HNNXBMFYSA-N 1 2 319.361 2.741 20 5 DFBDLO Cc1noc(C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595478189 398946349 /nfs/dbraw/zinc/94/63/49/398946349.db2.gz YYSAVGPJCXQVGN-HNNXBMFYSA-N 1 2 305.309 2.962 20 5 DFBDLO Cc1noc(C[N@H+]2CC[C@@](F)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000595478189 398946354 /nfs/dbraw/zinc/94/63/54/398946354.db2.gz YYSAVGPJCXQVGN-HNNXBMFYSA-N 1 2 305.309 2.962 20 5 DFBDLO Cc1noc(C[N@@H+]2Cc3ccccc3O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595512862 398954914 /nfs/dbraw/zinc/95/49/14/398954914.db2.gz XAMRRTRLNFHBMB-JTQLQIEISA-N 1 2 303.318 2.674 20 5 DFBDLO Cc1noc(C[N@H+]2Cc3ccccc3O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595512862 398954917 /nfs/dbraw/zinc/95/49/17/398954917.db2.gz XAMRRTRLNFHBMB-JTQLQIEISA-N 1 2 303.318 2.674 20 5 DFBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1ncccc1[N+](=O)[O-] ZINC000078503339 398962018 /nfs/dbraw/zinc/96/20/18/398962018.db2.gz CYBFKBMVIYFTQM-UHFFFAOYSA-N 1 2 323.356 2.871 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cnccc1OC ZINC000292662787 223190726 /nfs/dbraw/zinc/19/07/26/223190726.db2.gz LRDXLRWHHAZBSN-UHFFFAOYSA-N 1 2 317.345 2.687 20 5 DFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2cscn2)c1 ZINC000595665681 399026341 /nfs/dbraw/zinc/02/63/41/399026341.db2.gz IDYARKVEOCWOBR-VIFPVBQESA-N 1 2 321.358 2.689 20 5 DFBDLO COc1ccc(C[N@@H+]2CC3(CCC3)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000595674349 399029151 /nfs/dbraw/zinc/02/91/51/399029151.db2.gz KKXABSAVMYPHPU-LBPRGKRZSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1ccc(C[N@H+]2CC3(CCC3)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000595674349 399029152 /nfs/dbraw/zinc/02/91/52/399029152.db2.gz KKXABSAVMYPHPU-LBPRGKRZSA-N 1 2 306.362 2.747 20 5 DFBDLO CCOC(=O)C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000091773013 193105095 /nfs/dbraw/zinc/10/50/95/193105095.db2.gz CXHRPWJGYMNQET-FNORWQNLSA-N 1 2 304.346 2.636 20 5 DFBDLO CCOC(=O)C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000091773013 193105097 /nfs/dbraw/zinc/10/50/97/193105097.db2.gz CXHRPWJGYMNQET-FNORWQNLSA-N 1 2 304.346 2.636 20 5 DFBDLO COc1cccc2c1C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000599643023 399039922 /nfs/dbraw/zinc/03/99/22/399039922.db2.gz GDDJTBKOSWQJAQ-UHFFFAOYSA-N 1 2 314.341 2.998 20 5 DFBDLO COc1cccc2c1C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000599643023 399039928 /nfs/dbraw/zinc/03/99/28/399039928.db2.gz GDDJTBKOSWQJAQ-UHFFFAOYSA-N 1 2 314.341 2.998 20 5 DFBDLO CC1(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C(C)(C)CO1 ZINC000618282008 399069835 /nfs/dbraw/zinc/06/98/35/399069835.db2.gz PQHBTULELGIHFF-UHFFFAOYSA-N 1 2 318.377 2.861 20 5 DFBDLO CC1(C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C(C)(C)CO1 ZINC000618282008 399069841 /nfs/dbraw/zinc/06/98/41/399069841.db2.gz PQHBTULELGIHFF-UHFFFAOYSA-N 1 2 318.377 2.861 20 5 DFBDLO CC12CC(C1)C[N@@H+]2CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595916436 399135487 /nfs/dbraw/zinc/13/54/87/399135487.db2.gz TUQNAIWJNCVZIT-UHFFFAOYSA-N 1 2 309.753 2.671 20 5 DFBDLO CC12CC(C1)C[N@H+]2CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595916436 399135489 /nfs/dbraw/zinc/13/54/89/399135489.db2.gz TUQNAIWJNCVZIT-UHFFFAOYSA-N 1 2 309.753 2.671 20 5 DFBDLO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000595921207 399138200 /nfs/dbraw/zinc/13/82/00/399138200.db2.gz JTGXYFDVFFMCLM-IINYFYTJSA-N 1 2 300.305 2.839 20 5 DFBDLO C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000595921207 399138203 /nfs/dbraw/zinc/13/82/03/399138203.db2.gz JTGXYFDVFFMCLM-IINYFYTJSA-N 1 2 300.305 2.839 20 5 DFBDLO Cc1cc(C[NH+]2CCN(c3cc(C)sc3[N+](=O)[O-])CC2)on1 ZINC000596062716 399160382 /nfs/dbraw/zinc/16/03/82/399160382.db2.gz LNISHNNRMFFWPT-UHFFFAOYSA-N 1 2 322.390 2.583 20 5 DFBDLO CC1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])s3)no2)CC1 ZINC000278173374 214004281 /nfs/dbraw/zinc/00/42/81/214004281.db2.gz NTNCDHBNJMBKAK-UHFFFAOYSA-N 1 2 308.363 2.938 20 5 DFBDLO COCC[N@H+](Cc1cccnc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282473932 217021322 /nfs/dbraw/zinc/02/13/22/217021322.db2.gz KZSOAEAYBPBOON-UHFFFAOYSA-N 1 2 319.336 2.778 20 5 DFBDLO COCC[N@@H+](Cc1cccnc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282473932 217021325 /nfs/dbraw/zinc/02/13/25/217021325.db2.gz KZSOAEAYBPBOON-UHFFFAOYSA-N 1 2 319.336 2.778 20 5 DFBDLO CC(C)(C)n1ncnc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000282632659 217139985 /nfs/dbraw/zinc/13/99/85/217139985.db2.gz JVXKVHLNHURTMZ-UHFFFAOYSA-N 1 2 323.784 2.885 20 5 DFBDLO CCOc1cc(NCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000080774594 399179819 /nfs/dbraw/zinc/17/98/19/399179819.db2.gz NMFYELUCQWLQMW-UHFFFAOYSA-N 1 2 302.334 2.913 20 5 DFBDLO CN(Cc1[nH]cc[nH+]1)c1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000596133727 399184952 /nfs/dbraw/zinc/18/49/52/399184952.db2.gz ZGUKNGGOPJLRJC-UHFFFAOYSA-N 1 2 300.240 2.973 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCc3ccccc3[C@H]2CO)cc1F ZINC000283011596 217386098 /nfs/dbraw/zinc/38/60/98/217386098.db2.gz GHKWYAGYNAPTPK-QGZVFWFLSA-N 1 2 316.332 2.826 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCc3ccccc3[C@H]2CO)cc1F ZINC000283011596 217386102 /nfs/dbraw/zinc/38/61/02/217386102.db2.gz GHKWYAGYNAPTPK-QGZVFWFLSA-N 1 2 316.332 2.826 20 5 DFBDLO COc1ccc(C[NH2+]Cc2nccc(C(F)F)n2)cc1[N+](=O)[O-] ZINC000288551856 220226713 /nfs/dbraw/zinc/22/67/13/220226713.db2.gz XUTYEMZNVGLRNZ-UHFFFAOYSA-N 1 2 324.287 2.621 20 5 DFBDLO CCc1nc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cs1 ZINC000601150307 399241674 /nfs/dbraw/zinc/24/16/74/399241674.db2.gz VEWLGRUHXFGVCD-OAHLLOKOSA-N 1 2 321.402 2.611 20 5 DFBDLO CC(C)(F)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000601206364 399254677 /nfs/dbraw/zinc/25/46/77/399254677.db2.gz WUXYUGHDJPQMDI-UHFFFAOYSA-N 1 2 311.357 2.587 20 5 DFBDLO COc1ccc(C[NH2+]Cc2nn(C)c(C)c2Cl)cc1[N+](=O)[O-] ZINC000421330299 296245079 /nfs/dbraw/zinc/24/50/79/296245079.db2.gz XBNGUGUIXBKFLP-UHFFFAOYSA-N 1 2 324.768 2.589 20 5 DFBDLO O=C(c1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000299592822 296254671 /nfs/dbraw/zinc/25/46/71/296254671.db2.gz WNNVXKCBHGLBKT-CYBMUJFWSA-N 1 2 300.318 2.685 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000421549073 296264976 /nfs/dbraw/zinc/26/49/76/296264976.db2.gz FXISESDSFHLPHL-DGCLKSJQSA-N 1 2 314.345 2.844 20 5 DFBDLO Cc1sc(C(=O)NCc2cc(C)[nH+]c(C)c2)cc1[N+](=O)[O-] ZINC000421560079 296265805 /nfs/dbraw/zinc/26/58/05/296265805.db2.gz PYDXLTYHJGLPHJ-UHFFFAOYSA-N 1 2 305.359 2.907 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609131468 399304520 /nfs/dbraw/zinc/30/45/20/399304520.db2.gz QKGJRDXXHUANCS-AWEZNQCLSA-N 1 2 314.345 2.577 20 5 DFBDLO O=C(CCCn1cc[nH+]c1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000609859537 399334369 /nfs/dbraw/zinc/33/43/69/399334369.db2.gz DADWFFZXKJRPRO-UHFFFAOYSA-N 1 2 314.345 2.551 20 5 DFBDLO Cn1cc[nH+]c1CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000051923272 425883791 /nfs/dbraw/zinc/88/37/91/425883791.db2.gz LLJTZLSXAHYHJL-UHFFFAOYSA-N 1 2 311.139 2.703 20 5 DFBDLO Cc1cc(N2CCCC[C@H]2c2c[nH+]cn2C)ncc1[N+](=O)[O-] ZINC000610430907 399367022 /nfs/dbraw/zinc/36/70/22/399367022.db2.gz WPXRULNRJXQGLL-LBPRGKRZSA-N 1 2 301.350 2.763 20 5 DFBDLO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000610786771 399405956 /nfs/dbraw/zinc/40/59/56/399405956.db2.gz NWDSYDIHTOCVHM-BLLLJJGKSA-N 1 2 316.357 2.555 20 5 DFBDLO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000057551738 184041939 /nfs/dbraw/zinc/04/19/39/184041939.db2.gz OXPNPRAIPASJTB-GFCCVEGCSA-N 1 2 317.345 2.955 20 5 DFBDLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000057551738 184041941 /nfs/dbraw/zinc/04/19/41/184041941.db2.gz OXPNPRAIPASJTB-GFCCVEGCSA-N 1 2 317.345 2.955 20 5 DFBDLO Cn1cc(C[N@H+](C)Cc2ccc(Cl)s2)c([N+](=O)[O-])n1 ZINC000602433530 399442495 /nfs/dbraw/zinc/44/24/95/399442495.db2.gz MJXGZMWHJQIVCD-UHFFFAOYSA-N 1 2 300.771 2.675 20 5 DFBDLO Cn1cc(C[N@@H+](C)Cc2ccc(Cl)s2)c([N+](=O)[O-])n1 ZINC000602433530 399442499 /nfs/dbraw/zinc/44/24/99/399442499.db2.gz MJXGZMWHJQIVCD-UHFFFAOYSA-N 1 2 300.771 2.675 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(C2CC2)no1 ZINC000602552648 399474095 /nfs/dbraw/zinc/47/40/95/399474095.db2.gz UWIHMEPEPHAUBK-UHFFFAOYSA-N 1 2 303.318 2.759 20 5 DFBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](F)C2)cccc1[N+](=O)[O-] ZINC000611501373 399483331 /nfs/dbraw/zinc/48/33/31/399483331.db2.gz BEJASPXCMLGQSX-WXHSDQCUSA-N 1 2 323.368 2.910 20 5 DFBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](F)C2)cccc1[N+](=O)[O-] ZINC000611501373 399483332 /nfs/dbraw/zinc/48/33/32/399483332.db2.gz BEJASPXCMLGQSX-WXHSDQCUSA-N 1 2 323.368 2.910 20 5 DFBDLO COc1cc(C[N@H+]2CC=CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000611517383 399486163 /nfs/dbraw/zinc/48/61/63/399486163.db2.gz WMDJXSOQPLVGBG-UHFFFAOYSA-N 1 2 314.288 2.967 20 5 DFBDLO COc1cc(C[N@@H+]2CC=CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000611517383 399486166 /nfs/dbraw/zinc/48/61/66/399486166.db2.gz WMDJXSOQPLVGBG-UHFFFAOYSA-N 1 2 314.288 2.967 20 5 DFBDLO COc1cccc([C@H](CO)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])c1 ZINC000611683047 399504604 /nfs/dbraw/zinc/50/46/04/399504604.db2.gz MBZALCGUFBYDTN-HNNXBMFYSA-N 1 2 320.320 2.566 20 5 DFBDLO O=[N+]([O-])c1ccc2ncnc(N3CCC[C@H](n4cc[nH+]c4)C3)c2c1 ZINC000611708619 399508295 /nfs/dbraw/zinc/50/82/95/399508295.db2.gz GMWDHFQSHHYKAL-ZDUSSCGKSA-N 1 2 324.344 2.576 20 5 DFBDLO C[C@]1(F)CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000347406527 285037209 /nfs/dbraw/zinc/03/72/09/285037209.db2.gz JKHXHQKTWSOSJW-AWEZNQCLSA-N 1 2 306.297 2.579 20 5 DFBDLO C[C@]1(F)CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000347406527 285037211 /nfs/dbraw/zinc/03/72/11/285037211.db2.gz JKHXHQKTWSOSJW-AWEZNQCLSA-N 1 2 306.297 2.579 20 5 DFBDLO Cc1ccc([C@@H]2CCCC[N@H+]2Cc2cn(C)nc2[N+](=O)[O-])o1 ZINC000602785206 399571937 /nfs/dbraw/zinc/57/19/37/399571937.db2.gz SIKZGGHXLCMSNX-ZDUSSCGKSA-N 1 2 304.350 2.957 20 5 DFBDLO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2cn(C)nc2[N+](=O)[O-])o1 ZINC000602785206 399571938 /nfs/dbraw/zinc/57/19/38/399571938.db2.gz SIKZGGHXLCMSNX-ZDUSSCGKSA-N 1 2 304.350 2.957 20 5 DFBDLO C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1c(F)cccc1Cl ZINC000602806541 399582523 /nfs/dbraw/zinc/58/25/23/399582523.db2.gz VKVQCVFRAXHSOM-MRVPVSSYSA-N 1 2 312.732 2.972 20 5 DFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1c(F)cccc1F ZINC000602831916 399592879 /nfs/dbraw/zinc/59/28/79/399592879.db2.gz LPLABQZBRTZPDB-UHFFFAOYSA-N 1 2 310.304 2.510 20 5 DFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1c(F)cccc1F ZINC000602831916 399592883 /nfs/dbraw/zinc/59/28/83/399592883.db2.gz LPLABQZBRTZPDB-UHFFFAOYSA-N 1 2 310.304 2.510 20 5 DFBDLO CCc1c[nH+]ccc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000347865867 285215874 /nfs/dbraw/zinc/21/58/74/285215874.db2.gz ZXPFYPQPJIYQHK-SNVBAGLBSA-N 1 2 317.320 2.855 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000602886079 399615835 /nfs/dbraw/zinc/61/58/35/399615835.db2.gz IXICUFQOCUZFSQ-CQSZACIVSA-N 1 2 302.334 2.664 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000602886079 399615839 /nfs/dbraw/zinc/61/58/39/399615839.db2.gz IXICUFQOCUZFSQ-CQSZACIVSA-N 1 2 302.334 2.664 20 5 DFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H](C)C1 ZINC000299595708 533327424 /nfs/dbraw/zinc/32/74/24/533327424.db2.gz FKOGFXPKRNLVKH-UWVGGRQHSA-N 1 2 311.769 2.917 20 5 DFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H](C)C1 ZINC000299595708 533327428 /nfs/dbraw/zinc/32/74/28/533327428.db2.gz FKOGFXPKRNLVKH-UWVGGRQHSA-N 1 2 311.769 2.917 20 5 DFBDLO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)C(F)F ZINC000603428352 399774464 /nfs/dbraw/zinc/77/44/64/399774464.db2.gz IOBNFOIWISGMNZ-RKDXNWHRSA-N 1 2 301.293 2.555 20 5 DFBDLO Cc1cnc([C@@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)s1 ZINC000366630505 131051839 /nfs/dbraw/zinc/05/18/39/131051839.db2.gz MPMZLWGQIIDVPC-ZDUSSCGKSA-N 1 2 321.406 2.783 20 5 DFBDLO Cc1cnc([C@@H]2CCCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)s1 ZINC000366630505 131051840 /nfs/dbraw/zinc/05/18/40/131051840.db2.gz MPMZLWGQIIDVPC-ZDUSSCGKSA-N 1 2 321.406 2.783 20 5 DFBDLO Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1 ZINC000178371169 542776644 /nfs/dbraw/zinc/77/66/44/542776644.db2.gz SHRKHSPMBXEIHT-UHFFFAOYSA-N 1 2 323.312 2.736 20 5 DFBDLO Cc1ccc([C@@H](C)NC(=O)C=Cc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000492816194 299659671 /nfs/dbraw/zinc/65/96/71/299659671.db2.gz ZJYVIVBKMNXKLG-MVIFTORASA-N 1 2 300.318 2.517 20 5 DFBDLO C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000604396376 399844903 /nfs/dbraw/zinc/84/49/03/399844903.db2.gz YTTZAGWGZONBDK-LLVKDONJSA-N 1 2 314.345 2.556 20 5 DFBDLO CCn1c[nH+]cc1[C@@H]1CCCCN1c1ncccc1[N+](=O)[O-] ZINC000604556130 399855132 /nfs/dbraw/zinc/85/51/32/399855132.db2.gz LBTVHQFDSOURBM-LBPRGKRZSA-N 1 2 301.350 2.938 20 5 DFBDLO C[C@H](CC1CC1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000171997929 145286305 /nfs/dbraw/zinc/28/63/05/145286305.db2.gz NYJDOIGTQRFEDG-LLVKDONJSA-N 1 2 314.345 2.699 20 5 DFBDLO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000173452671 145344242 /nfs/dbraw/zinc/34/42/42/145344242.db2.gz FVIHBAKQGOWRJU-NEPJUHHUSA-N 1 2 315.377 2.934 20 5 DFBDLO Cc1cc[nH+]c(C)c1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000425587893 296588586 /nfs/dbraw/zinc/58/85/86/296588586.db2.gz OYIZUXOBSZFTGZ-UHFFFAOYSA-N 1 2 314.345 2.682 20 5 DFBDLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000354824199 147164871 /nfs/dbraw/zinc/16/48/71/147164871.db2.gz CCOKHCHPRSFVQU-MNOVXSKESA-N 1 2 318.352 2.975 20 5 DFBDLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000354824199 147164872 /nfs/dbraw/zinc/16/48/72/147164872.db2.gz CCOKHCHPRSFVQU-MNOVXSKESA-N 1 2 318.352 2.975 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)CN(c1cc[nH+]c(C3CC3)n1)CCO2 ZINC000357812180 148133475 /nfs/dbraw/zinc/13/34/75/148133475.db2.gz GJPQDWUSNJOFFV-UHFFFAOYSA-N 1 2 312.329 2.661 20 5 DFBDLO C[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000361642013 149177590 /nfs/dbraw/zinc/17/75/90/149177590.db2.gz GEJNYPDPHFCLHX-BLLLJJGKSA-N 1 2 324.352 2.504 20 5 DFBDLO C[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000361642013 149177592 /nfs/dbraw/zinc/17/75/92/149177592.db2.gz GEJNYPDPHFCLHX-BLLLJJGKSA-N 1 2 324.352 2.504 20 5 DFBDLO COc1c(C(=O)Nc2cccc3[nH+]ccn32)cccc1[N+](=O)[O-] ZINC000361725443 149202618 /nfs/dbraw/zinc/20/26/18/149202618.db2.gz GIPNHLIXUWHBPY-UHFFFAOYSA-N 1 2 312.285 2.503 20 5 DFBDLO Cc1ccc(CNc2[nH]c3cc(F)ccc3[nH+]2)cc1[N+](=O)[O-] ZINC000362650292 149333307 /nfs/dbraw/zinc/33/33/07/149333307.db2.gz QVCIHVPEJZSSNB-UHFFFAOYSA-N 1 2 300.293 2.953 20 5 DFBDLO Cc1cn2c([nH+]1)[C@@H](CNc1nc(C)ccc1[N+](=O)[O-])CCC2 ZINC000371252539 150011016 /nfs/dbraw/zinc/01/10/16/150011016.db2.gz DGNCCVSEOVYNJL-GFCCVEGCSA-N 1 2 301.350 2.793 20 5 DFBDLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1ccc([N+](=O)[O-])cc1 ZINC000372990722 150212524 /nfs/dbraw/zinc/21/25/24/150212524.db2.gz PGYDEBOXWIOCLD-UHFFFAOYSA-N 1 2 300.362 2.760 20 5 DFBDLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1cccc([N+](=O)[O-])c1 ZINC000372994689 150213808 /nfs/dbraw/zinc/21/38/08/150213808.db2.gz FMICPBZRKGJPKB-UHFFFAOYSA-N 1 2 300.362 2.760 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOCC12CCCC2 ZINC000373776800 150256470 /nfs/dbraw/zinc/25/64/70/150256470.db2.gz ITOWPHLDNGWNMT-UHFFFAOYSA-N 1 2 306.362 2.748 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOCC12CCCC2 ZINC000373776800 150256474 /nfs/dbraw/zinc/25/64/74/150256474.db2.gz ITOWPHLDNGWNMT-UHFFFAOYSA-N 1 2 306.362 2.748 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H](CO)c2ccccc2)c(F)c1 ZINC000351754134 286210569 /nfs/dbraw/zinc/21/05/69/286210569.db2.gz ZCAHWRUUQBEACF-HNNXBMFYSA-N 1 2 308.284 2.696 20 5 DFBDLO CCOC(=O)C[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)CC(C)C ZINC000351796376 286220370 /nfs/dbraw/zinc/22/03/70/286220370.db2.gz VKRVJZINWOCVRG-UHFFFAOYSA-N 1 2 308.378 2.924 20 5 DFBDLO CCOC(=O)C[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)CC(C)C ZINC000351796376 286220373 /nfs/dbraw/zinc/22/03/73/286220373.db2.gz VKRVJZINWOCVRG-UHFFFAOYSA-N 1 2 308.378 2.924 20 5 DFBDLO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC000351820196 286226001 /nfs/dbraw/zinc/22/60/01/286226001.db2.gz DJAGUPMLSOWQAF-INIZCTEOSA-N 1 2 304.321 2.899 20 5 DFBDLO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC000351820196 286226003 /nfs/dbraw/zinc/22/60/03/286226003.db2.gz DJAGUPMLSOWQAF-INIZCTEOSA-N 1 2 304.321 2.899 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+](CCCCO)C2CC2)c(F)c1 ZINC000352059552 286282516 /nfs/dbraw/zinc/28/25/16/286282516.db2.gz GLTJAIXPLOPNOZ-UHFFFAOYSA-N 1 2 300.305 2.610 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+](CCCCO)C2CC2)c(F)c1 ZINC000352059552 286282518 /nfs/dbraw/zinc/28/25/18/286282518.db2.gz GLTJAIXPLOPNOZ-UHFFFAOYSA-N 1 2 300.305 2.610 20 5 DFBDLO Cc1noc([C@@H]2CC[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)n1 ZINC000352353488 286351192 /nfs/dbraw/zinc/35/11/92/286351192.db2.gz YCWYMWYCNOQWAH-SECBINFHSA-N 1 2 324.287 2.554 20 5 DFBDLO Cc1noc([C@@H]2CC[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)n1 ZINC000352353488 286351194 /nfs/dbraw/zinc/35/11/94/286351194.db2.gz YCWYMWYCNOQWAH-SECBINFHSA-N 1 2 324.287 2.554 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000277385426 292296444 /nfs/dbraw/zinc/29/64/44/292296444.db2.gz YLUDOLCCSUVQSV-BHVCSQLQSA-N 1 2 310.419 2.807 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000277385426 292296446 /nfs/dbraw/zinc/29/64/46/292296446.db2.gz YLUDOLCCSUVQSV-BHVCSQLQSA-N 1 2 310.419 2.807 20 5 DFBDLO Cn1cc[nH+]c1[C@@H](NCc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000353442825 286646270 /nfs/dbraw/zinc/64/62/70/286646270.db2.gz DCXAYKDNHAVWHR-HNNXBMFYSA-N 1 2 312.329 2.801 20 5 DFBDLO C[C@@H]1C[C@@H](NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000493720611 299816453 /nfs/dbraw/zinc/81/64/53/299816453.db2.gz JWOUWFNLCUQFEW-WLFDKREMSA-N 1 2 312.329 2.627 20 5 DFBDLO C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ncn(C)n1 ZINC000279086517 287065944 /nfs/dbraw/zinc/06/59/44/287065944.db2.gz NBMSLOXANSVDIU-YGRLFVJLSA-N 1 2 315.377 2.797 20 5 DFBDLO C[C@@]1(O)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000129583721 196059619 /nfs/dbraw/zinc/05/96/19/196059619.db2.gz AITKPRZBOCPISF-CQSZACIVSA-N 1 2 316.304 2.543 20 5 DFBDLO C[C@@]1(O)CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000129583721 196059621 /nfs/dbraw/zinc/05/96/21/196059621.db2.gz AITKPRZBOCPISF-CQSZACIVSA-N 1 2 316.304 2.543 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2cn3cccnc3n2)C2CC2)cc1 ZINC000130524618 196087386 /nfs/dbraw/zinc/08/73/86/196087386.db2.gz RELPOFSWLVULJF-UHFFFAOYSA-N 1 2 323.356 2.802 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cn3cccnc3n2)C2CC2)cc1 ZINC000130524618 196087389 /nfs/dbraw/zinc/08/73/89/196087389.db2.gz RELPOFSWLVULJF-UHFFFAOYSA-N 1 2 323.356 2.802 20 5 DFBDLO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1cscn1 ZINC000063592654 425900922 /nfs/dbraw/zinc/90/09/22/425900922.db2.gz GBOGZPBYHUGMRW-UHFFFAOYSA-N 1 2 307.375 2.952 20 5 DFBDLO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1cscn1 ZINC000063592654 425900923 /nfs/dbraw/zinc/90/09/23/425900923.db2.gz GBOGZPBYHUGMRW-UHFFFAOYSA-N 1 2 307.375 2.952 20 5 DFBDLO CCC(CC)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000067849284 425914008 /nfs/dbraw/zinc/91/40/08/425914008.db2.gz ISZQIXOGGCHULG-UHFFFAOYSA-N 1 2 302.334 2.699 20 5 DFBDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000046598979 425865714 /nfs/dbraw/zinc/86/57/14/425865714.db2.gz HRSANANHZTYREY-ZIAGYGMSSA-N 1 2 319.405 2.531 20 5 DFBDLO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000046598979 425865715 /nfs/dbraw/zinc/86/57/15/425865715.db2.gz HRSANANHZTYREY-ZIAGYGMSSA-N 1 2 319.405 2.531 20 5 DFBDLO Cc1nn(Cc2ccc(-n3cc[nH+]c3)cc2C)c(C)c1[N+](=O)[O-] ZINC000191528610 268002982 /nfs/dbraw/zinc/00/29/82/268002982.db2.gz YFNBMCKHIABVIG-UHFFFAOYSA-N 1 2 311.345 2.951 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCS[C@H](C)[C@H]1C ZINC000245458034 268164281 /nfs/dbraw/zinc/16/42/81/268164281.db2.gz UQARLSPSUOCXIZ-VXGBXAGGSA-N 1 2 323.418 2.668 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCS[C@H](C)[C@H]1C ZINC000245458034 268164283 /nfs/dbraw/zinc/16/42/83/268164283.db2.gz UQARLSPSUOCXIZ-VXGBXAGGSA-N 1 2 323.418 2.668 20 5 DFBDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000271001388 268247541 /nfs/dbraw/zinc/24/75/41/268247541.db2.gz KZBOSHXGFOMEII-WCQYABFASA-N 1 2 324.377 2.611 20 5 DFBDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000271001388 268247545 /nfs/dbraw/zinc/24/75/45/268247545.db2.gz KZBOSHXGFOMEII-WCQYABFASA-N 1 2 324.377 2.611 20 5 DFBDLO C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000125004850 425949498 /nfs/dbraw/zinc/94/94/98/425949498.db2.gz OIXBFJKMTAEQQS-DOMZBBRYSA-N 1 2 314.345 2.515 20 5 DFBDLO CC(C)[NH+](CCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(C)C ZINC000074828866 426057267 /nfs/dbraw/zinc/05/72/67/426057267.db2.gz UYUVIOOZFIFIQV-UHFFFAOYSA-N 1 2 323.393 2.539 20 5 DFBDLO O=C(C[N@@H+]1CCC[C@@H]1c1ccc[nH]1)Nc1ccccc1[N+](=O)[O-] ZINC000077170837 426121320 /nfs/dbraw/zinc/12/13/20/426121320.db2.gz BSNKTFNWLDPRSV-CQSZACIVSA-N 1 2 314.345 2.699 20 5 DFBDLO O=C(C[N@H+]1CCC[C@@H]1c1ccc[nH]1)Nc1ccccc1[N+](=O)[O-] ZINC000077170837 426121323 /nfs/dbraw/zinc/12/13/23/426121323.db2.gz BSNKTFNWLDPRSV-CQSZACIVSA-N 1 2 314.345 2.699 20 5 DFBDLO Cc1cc(N[C@@H](C)CCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000077226153 426124019 /nfs/dbraw/zinc/12/40/19/426124019.db2.gz PNTAKGHGFDJENA-JTQLQIEISA-N 1 2 302.334 2.543 20 5 DFBDLO Cc1nnc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1C1CC1 ZINC000338352565 268663156 /nfs/dbraw/zinc/66/31/56/268663156.db2.gz PHGXZKAYGUOPLW-UHFFFAOYSA-N 1 2 315.377 2.504 20 5 DFBDLO Cc1nnc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1C1CC1 ZINC000338352565 268663158 /nfs/dbraw/zinc/66/31/58/268663158.db2.gz PHGXZKAYGUOPLW-UHFFFAOYSA-N 1 2 315.377 2.504 20 5 DFBDLO CCN(CC)C(=O)C[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116270915 426185701 /nfs/dbraw/zinc/18/57/01/426185701.db2.gz DNBSFTDDIRURKC-UHFFFAOYSA-N 1 2 313.785 2.548 20 5 DFBDLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116270915 426185704 /nfs/dbraw/zinc/18/57/04/426185704.db2.gz DNBSFTDDIRURKC-UHFFFAOYSA-N 1 2 313.785 2.548 20 5 DFBDLO Cc1cc(C(=O)NCCCNc2cccc[nH+]2)cc([N+](=O)[O-])c1 ZINC000136165548 426236142 /nfs/dbraw/zinc/23/61/42/426236142.db2.gz MWQKXYUMSHEAPC-UHFFFAOYSA-N 1 2 314.345 2.530 20 5 DFBDLO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089909969 426318153 /nfs/dbraw/zinc/31/81/53/426318153.db2.gz OCDFXCLBGAUMJW-NEPJUHHUSA-N 1 2 317.345 2.859 20 5 DFBDLO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089909969 426318155 /nfs/dbraw/zinc/31/81/55/426318155.db2.gz OCDFXCLBGAUMJW-NEPJUHHUSA-N 1 2 317.345 2.859 20 5 DFBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCS[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000264154581 426507291 /nfs/dbraw/zinc/50/72/91/426507291.db2.gz ULTIWGTZEWNSEA-PWSUYJOCSA-N 1 2 323.418 2.668 20 5 DFBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCS[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000264154581 426507296 /nfs/dbraw/zinc/50/72/96/426507296.db2.gz ULTIWGTZEWNSEA-PWSUYJOCSA-N 1 2 323.418 2.668 20 5 DFBDLO COc1cc[nH+]cc1NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000194736396 426491752 /nfs/dbraw/zinc/49/17/52/426491752.db2.gz SILXPFJGNDTOLG-UHFFFAOYSA-N 1 2 319.342 2.973 20 5 DFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCSC(C)(C)C1 ZINC000177523320 426492127 /nfs/dbraw/zinc/49/21/27/426492127.db2.gz LFZCNEUZOUNTFH-NSHDSACASA-N 1 2 323.418 2.749 20 5 DFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCSC(C)(C)C1 ZINC000177523320 426492128 /nfs/dbraw/zinc/49/21/28/426492128.db2.gz LFZCNEUZOUNTFH-NSHDSACASA-N 1 2 323.418 2.749 20 5 DFBDLO COC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000177566307 426495687 /nfs/dbraw/zinc/49/56/87/426495687.db2.gz HGXGZAGNQPUXMY-CYBMUJFWSA-N 1 2 320.345 2.982 20 5 DFBDLO CC1=CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000280534074 426594337 /nfs/dbraw/zinc/59/43/37/426594337.db2.gz ABJPRXVMHQNIFQ-UHFFFAOYSA-N 1 2 309.753 2.839 20 5 DFBDLO CC1=CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000280534074 426594338 /nfs/dbraw/zinc/59/43/38/426594338.db2.gz ABJPRXVMHQNIFQ-UHFFFAOYSA-N 1 2 309.753 2.839 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H](C)[S@]1=O ZINC000289216040 426607692 /nfs/dbraw/zinc/60/76/92/426607692.db2.gz CGHIPLKNBFXDHQ-DEOKDLAOSA-N 1 2 310.419 2.635 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H](C)[S@]1=O ZINC000289216040 426607697 /nfs/dbraw/zinc/60/76/97/426607697.db2.gz CGHIPLKNBFXDHQ-DEOKDLAOSA-N 1 2 310.419 2.635 20 5 DFBDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000178347928 426612239 /nfs/dbraw/zinc/61/22/39/426612239.db2.gz BQHHKEMRSZRHMM-AWEZNQCLSA-N 1 2 306.362 2.901 20 5 DFBDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000178347928 426612243 /nfs/dbraw/zinc/61/22/43/426612243.db2.gz BQHHKEMRSZRHMM-AWEZNQCLSA-N 1 2 306.362 2.901 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@H](C)[S@]1=O ZINC000289258376 426615512 /nfs/dbraw/zinc/61/55/12/426615512.db2.gz FOJUEZUCRDWXAK-QURLWZIUSA-N 1 2 310.419 2.635 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@H](C)[S@]1=O ZINC000289258376 426615518 /nfs/dbraw/zinc/61/55/18/426615518.db2.gz FOJUEZUCRDWXAK-QURLWZIUSA-N 1 2 310.419 2.635 20 5 DFBDLO O=[N+]([O-])c1cnc(NCc2cn3c([nH+]2)CCCC3)c(Cl)c1 ZINC000265504708 426647763 /nfs/dbraw/zinc/64/77/63/426647763.db2.gz IYUIJGWMBARRIH-UHFFFAOYSA-N 1 2 307.741 2.788 20 5 DFBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCC1(F)F ZINC000289875477 426675031 /nfs/dbraw/zinc/67/50/31/426675031.db2.gz RBRZXFZMQSNUIU-VIFPVBQESA-N 1 2 315.276 2.980 20 5 DFBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCC1(F)F ZINC000289875477 426675036 /nfs/dbraw/zinc/67/50/36/426675036.db2.gz RBRZXFZMQSNUIU-VIFPVBQESA-N 1 2 315.276 2.980 20 5 DFBDLO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000179336700 426780497 /nfs/dbraw/zinc/78/04/97/426780497.db2.gz FFBPRBTYGFGZHC-OAHLLOKOSA-N 1 2 319.405 2.819 20 5 DFBDLO CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000179336700 426780502 /nfs/dbraw/zinc/78/05/02/426780502.db2.gz FFBPRBTYGFGZHC-OAHLLOKOSA-N 1 2 319.405 2.819 20 5 DFBDLO C[C@H](c1nccs1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000274341567 426749647 /nfs/dbraw/zinc/74/96/47/426749647.db2.gz ZABSXHQFAIVTCH-GFCCVEGCSA-N 1 2 318.402 2.935 20 5 DFBDLO COCC[N@H+](Cc1ccco1)Cc1ccc([N+](=O)[O-])cc1F ZINC000266999252 426809881 /nfs/dbraw/zinc/80/98/81/426809881.db2.gz CGQSNZNYNYXMOU-UHFFFAOYSA-N 1 2 308.309 2.976 20 5 DFBDLO COCC[N@@H+](Cc1ccco1)Cc1ccc([N+](=O)[O-])cc1F ZINC000266999252 426809886 /nfs/dbraw/zinc/80/98/86/426809886.db2.gz CGQSNZNYNYXMOU-UHFFFAOYSA-N 1 2 308.309 2.976 20 5 DFBDLO Cc1cccc(N2CC[NH+](Cc3cccnc3)CC2)c1[N+](=O)[O-] ZINC000275382884 426865034 /nfs/dbraw/zinc/86/50/34/426865034.db2.gz BQFPEOUJMSOZEU-UHFFFAOYSA-N 1 2 312.373 2.620 20 5 DFBDLO O=[N+]([O-])c1cccnc1N1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000275523267 426865965 /nfs/dbraw/zinc/86/59/65/426865965.db2.gz FCTDUYKSFSEHGA-ZDUSSCGKSA-N 1 2 313.361 2.933 20 5 DFBDLO O=[N+]([O-])c1cccc([C@@H](O)Cn2cc[nH+]c2-c2ccncc2)c1 ZINC000305179899 426892990 /nfs/dbraw/zinc/89/29/90/426892990.db2.gz NEYNJCVBERCBGV-HNNXBMFYSA-N 1 2 310.313 2.587 20 5 DFBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2csc([N+](=O)[O-])c2)CC1(C)C ZINC000295368666 426928695 /nfs/dbraw/zinc/92/86/95/426928695.db2.gz CWSXCXUQINAYKX-LLVKDONJSA-N 1 2 320.374 2.613 20 5 DFBDLO Cc1nc(NCc2cc[nH+]c(N3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000268493131 427033737 /nfs/dbraw/zinc/03/37/37/427033737.db2.gz OGUHYPLZPAYQDQ-UHFFFAOYSA-N 1 2 313.361 2.906 20 5 DFBDLO CCCN1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1=O ZINC000276383866 427050702 /nfs/dbraw/zinc/05/07/02/427050702.db2.gz LUMAVMMVWFZUGZ-CYBMUJFWSA-N 1 2 305.378 2.600 20 5 DFBDLO CCCN1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1=O ZINC000276383866 427050705 /nfs/dbraw/zinc/05/07/05/427050705.db2.gz LUMAVMMVWFZUGZ-CYBMUJFWSA-N 1 2 305.378 2.600 20 5 DFBDLO CCc1cc(=O)[nH]c(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000292037565 427066555 /nfs/dbraw/zinc/06/65/55/427066555.db2.gz AAJPZAVDPPDCAZ-UHFFFAOYSA-N 1 2 316.361 2.678 20 5 DFBDLO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])s2)[C@@H](c2ccccc2)C1 ZINC000249600360 427132294 /nfs/dbraw/zinc/13/22/94/427132294.db2.gz QJDHRESCKGXOHK-GFCCVEGCSA-N 1 2 304.375 2.544 20 5 DFBDLO C[N@H+]1CCN(c2ncc([N+](=O)[O-])s2)[C@@H](c2ccccc2)C1 ZINC000249600360 427132300 /nfs/dbraw/zinc/13/23/00/427132300.db2.gz QJDHRESCKGXOHK-GFCCVEGCSA-N 1 2 304.375 2.544 20 5 DFBDLO CN(C(=O)C[NH+]1Cc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000155487155 271053661 /nfs/dbraw/zinc/05/36/61/271053661.db2.gz HYTPCDWGNIHUKS-UHFFFAOYSA-N 1 2 311.341 2.573 20 5 DFBDLO CC[C@@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000183229031 427229778 /nfs/dbraw/zinc/22/97/78/427229778.db2.gz FQKPNHOBWMWWIR-CYBMUJFWSA-N 1 2 301.350 2.831 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(N2CCC(n3cc[nH+]c3)CC2)c(F)c1 ZINC000269676479 427246767 /nfs/dbraw/zinc/24/67/67/427246767.db2.gz YUTZGJOBQLBBTI-UHFFFAOYSA-N 1 2 308.288 2.911 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)C2)cs1 ZINC000330604592 427274111 /nfs/dbraw/zinc/27/41/11/427274111.db2.gz HCOQJZOIHOMCON-JTQLQIEISA-N 1 2 310.297 2.546 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)C2)cs1 ZINC000330604592 427274115 /nfs/dbraw/zinc/27/41/15/427274115.db2.gz HCOQJZOIHOMCON-JTQLQIEISA-N 1 2 310.297 2.546 20 5 DFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCOc3cc(O)ccc3C2)c1 ZINC000285669361 427303826 /nfs/dbraw/zinc/30/38/26/427303826.db2.gz ZQFNEOKDBGOZII-UHFFFAOYSA-N 1 2 300.314 2.695 20 5 DFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCOc3cc(O)ccc3C2)c1 ZINC000285669361 427303831 /nfs/dbraw/zinc/30/38/31/427303831.db2.gz ZQFNEOKDBGOZII-UHFFFAOYSA-N 1 2 300.314 2.695 20 5 DFBDLO CN(CCCn1cc[nH+]c1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285794759 427340387 /nfs/dbraw/zinc/34/03/87/427340387.db2.gz YCRQYFZIIHCTMJ-UHFFFAOYSA-N 1 2 310.304 2.592 20 5 DFBDLO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000331117407 427348759 /nfs/dbraw/zinc/34/87/59/427348759.db2.gz MTFQIKFWOANXFK-IAQYHMDHSA-N 1 2 306.362 2.677 20 5 DFBDLO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000331117407 427348764 /nfs/dbraw/zinc/34/87/64/427348764.db2.gz MTFQIKFWOANXFK-IAQYHMDHSA-N 1 2 306.362 2.677 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000339053916 271647070 /nfs/dbraw/zinc/64/70/70/271647070.db2.gz GLESBRCXTXNTBJ-UHFFFAOYSA-N 1 2 302.252 2.995 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000339053916 271647072 /nfs/dbraw/zinc/64/70/72/271647072.db2.gz GLESBRCXTXNTBJ-UHFFFAOYSA-N 1 2 302.252 2.995 20 5 DFBDLO CCn1ccnc1[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000297812415 427457876 /nfs/dbraw/zinc/45/78/76/427457876.db2.gz QXDXORVWELYLDU-LLVKDONJSA-N 1 2 304.350 2.671 20 5 DFBDLO COc1cc(C[N@H+](C)Cc2cccnc2)c([N+](=O)[O-])cc1F ZINC000184270552 427428808 /nfs/dbraw/zinc/42/88/08/427428808.db2.gz JOECSBPERSXSRR-UHFFFAOYSA-N 1 2 305.309 2.770 20 5 DFBDLO COc1cc(C[N@@H+](C)Cc2cccnc2)c([N+](=O)[O-])cc1F ZINC000184270552 427428814 /nfs/dbraw/zinc/42/88/14/427428814.db2.gz JOECSBPERSXSRR-UHFFFAOYSA-N 1 2 305.309 2.770 20 5 DFBDLO C[C@]1(F)CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000332225117 427550226 /nfs/dbraw/zinc/55/02/26/427550226.db2.gz NSBJFOFEYBGWJC-HNNXBMFYSA-N 1 2 310.325 2.785 20 5 DFBDLO C[C@]1(F)CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000332225117 427550234 /nfs/dbraw/zinc/55/02/34/427550234.db2.gz NSBJFOFEYBGWJC-HNNXBMFYSA-N 1 2 310.325 2.785 20 5 DFBDLO CCc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[nH]1 ZINC000271526407 427573183 /nfs/dbraw/zinc/57/31/83/427573183.db2.gz PANUGPVPLQYXJA-MNOVXSKESA-N 1 2 303.366 2.996 20 5 DFBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263923157 427609404 /nfs/dbraw/zinc/60/94/04/427609404.db2.gz DVSWYFVDXVZMQF-LLVKDONJSA-N 1 2 315.333 2.729 20 5 DFBDLO CCC1(CC)C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[S@]1=O ZINC000185287769 427625774 /nfs/dbraw/zinc/62/57/74/427625774.db2.gz DOYFVPLFBUFAKQ-OAQYLSRUSA-N 1 2 310.419 2.718 20 5 DFBDLO CCC1(CC)C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC[S@]1=O ZINC000185287769 427625779 /nfs/dbraw/zinc/62/57/79/427625779.db2.gz DOYFVPLFBUFAKQ-OAQYLSRUSA-N 1 2 310.419 2.718 20 5 DFBDLO CCOc1cc(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000279378113 427655128 /nfs/dbraw/zinc/65/51/28/427655128.db2.gz SLNOFFNVNFJGIN-PXAZEXFGSA-N 1 2 320.389 2.993 20 5 DFBDLO CCOc1cc(C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000279378113 427655135 /nfs/dbraw/zinc/65/51/35/427655135.db2.gz SLNOFFNVNFJGIN-PXAZEXFGSA-N 1 2 320.389 2.993 20 5 DFBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000339066512 427659858 /nfs/dbraw/zinc/65/98/58/427659858.db2.gz SPSGRRITKVGEFX-JTQLQIEISA-N 1 2 316.313 2.880 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](CCCO)c1ccccc1 ZINC000339070238 427663006 /nfs/dbraw/zinc/66/30/06/427663006.db2.gz IXCDKTOQJTZMJB-MRXNPFEDSA-N 1 2 316.357 2.904 20 5 DFBDLO Cc1c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccoc2)cccc1[N+](=O)[O-] ZINC000342632647 272034062 /nfs/dbraw/zinc/03/40/62/272034062.db2.gz MHGQLNVWCDSTQE-GFCCVEGCSA-N 1 2 317.345 2.955 20 5 DFBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccoc2)cccc1[N+](=O)[O-] ZINC000342632647 272034065 /nfs/dbraw/zinc/03/40/65/272034065.db2.gz MHGQLNVWCDSTQE-GFCCVEGCSA-N 1 2 317.345 2.955 20 5 DFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@](C)(F)C1 ZINC000295046524 427672168 /nfs/dbraw/zinc/67/21/68/427672168.db2.gz AHEYJEMRPQEGKB-NHYWBVRUSA-N 1 2 309.341 2.746 20 5 DFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@](C)(F)C1 ZINC000295046524 427672171 /nfs/dbraw/zinc/67/21/71/427672171.db2.gz AHEYJEMRPQEGKB-NHYWBVRUSA-N 1 2 309.341 2.746 20 5 DFBDLO COc1cc(NCc2ccc[nH+]c2N(C)C)c([N+](=O)[O-])cc1F ZINC000343834823 272227934 /nfs/dbraw/zinc/22/79/34/272227934.db2.gz LVLCDSCITGPUMO-UHFFFAOYSA-N 1 2 320.324 2.816 20 5 DFBDLO C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000344270601 272301497 /nfs/dbraw/zinc/30/14/97/272301497.db2.gz QFLFCAHYHDXEDO-SNVBAGLBSA-N 1 2 322.315 2.689 20 5 DFBDLO C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000344270601 272301500 /nfs/dbraw/zinc/30/15/00/272301500.db2.gz QFLFCAHYHDXEDO-SNVBAGLBSA-N 1 2 322.315 2.689 20 5 DFBDLO C[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000301216930 427782716 /nfs/dbraw/zinc/78/27/16/427782716.db2.gz ZBFBRXYLMMLSMH-MNOVXSKESA-N 1 2 313.785 2.769 20 5 DFBDLO O=[N+]([O-])c1cnc(NCCc2cn3ccccc3[nH+]2)c(Cl)c1 ZINC000301285496 427786677 /nfs/dbraw/zinc/78/66/77/427786677.db2.gz QJUOBSNKMQRCCB-UHFFFAOYSA-N 1 2 317.736 2.946 20 5 DFBDLO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339193399 427725340 /nfs/dbraw/zinc/72/53/40/427725340.db2.gz UNNKPELGRJCXQI-TZMCWYRMSA-N 1 2 308.378 2.816 20 5 DFBDLO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339193399 427725342 /nfs/dbraw/zinc/72/53/42/427725342.db2.gz UNNKPELGRJCXQI-TZMCWYRMSA-N 1 2 308.378 2.816 20 5 DFBDLO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339211804 427732686 /nfs/dbraw/zinc/73/26/86/427732686.db2.gz JBJJPJZNFNXGMB-BXKDBHETSA-N 1 2 318.295 2.959 20 5 DFBDLO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339211804 427732696 /nfs/dbraw/zinc/73/26/96/427732696.db2.gz JBJJPJZNFNXGMB-BXKDBHETSA-N 1 2 318.295 2.959 20 5 DFBDLO Cc1ncc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000299026491 427740033 /nfs/dbraw/zinc/74/00/33/427740033.db2.gz JVCYDZUUKFSANZ-UHFFFAOYSA-N 1 2 318.402 2.682 20 5 DFBDLO Cc1cc(NC2CCN(c3cccc[nH+]3)CC2)ncc1[N+](=O)[O-] ZINC000301413273 427794522 /nfs/dbraw/zinc/79/45/22/427794522.db2.gz ALPLEYIUHAPFSG-UHFFFAOYSA-N 1 2 313.361 2.774 20 5 DFBDLO Cc1cc(NCc2ccon2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301462813 427798034 /nfs/dbraw/zinc/79/80/34/427798034.db2.gz FODNBNXQOVCRKR-UHFFFAOYSA-N 1 2 311.301 2.960 20 5 DFBDLO Cc1ccc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000302755276 427863872 /nfs/dbraw/zinc/86/38/72/427863872.db2.gz IJDAHICTBPQYCV-HNNXBMFYSA-N 1 2 316.361 2.576 20 5 DFBDLO Nc1[nH+]cnc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1Cl ZINC000302855864 427880120 /nfs/dbraw/zinc/88/01/20/427880120.db2.gz RWEOMXSUMUSXMU-UHFFFAOYSA-N 1 2 319.752 2.789 20 5 DFBDLO O=[N+]([O-])c1cccc(-c2nc(Cc3cn4ccccc4[nH+]3)no2)c1 ZINC000355776309 427886552 /nfs/dbraw/zinc/88/65/52/427886552.db2.gz UXCLKZBRTJKUCU-UHFFFAOYSA-N 1 2 321.296 2.883 20 5 DFBDLO CC1(CO)CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413230456 427997382 /nfs/dbraw/zinc/99/73/82/427997382.db2.gz LKCDSGFQKMWUFI-UHFFFAOYSA-N 1 2 301.346 2.742 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@@H](n4cccn4)C3)c2c1 ZINC000413307911 428016534 /nfs/dbraw/zinc/01/65/34/428016534.db2.gz ILLMOKQWPVIMBG-CQSZACIVSA-N 1 2 309.329 2.791 20 5 DFBDLO COC(=O)[C@H]1C[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413562555 428081538 /nfs/dbraw/zinc/08/15/38/428081538.db2.gz QLLMGDRJPZZUGM-PHIMTYICSA-N 1 2 301.302 2.507 20 5 DFBDLO Cc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000341704999 428161969 /nfs/dbraw/zinc/16/19/69/428161969.db2.gz IDHMXVRVKOWPRV-AWEZNQCLSA-N 1 2 314.345 2.518 20 5 DFBDLO Cc1nc([C@@H]2CCC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)no1 ZINC000360271254 428231526 /nfs/dbraw/zinc/23/15/26/428231526.db2.gz OUCZNXGSVLUEJQ-LLVKDONJSA-N 1 2 320.324 2.805 20 5 DFBDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)no1 ZINC000360271254 428231532 /nfs/dbraw/zinc/23/15/32/428231532.db2.gz OUCZNXGSVLUEJQ-LLVKDONJSA-N 1 2 320.324 2.805 20 5 DFBDLO COC(=O)C1([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)CCCC1 ZINC000352778604 428243715 /nfs/dbraw/zinc/24/37/15/428243715.db2.gz LEPKDCOUVQZTHG-UHFFFAOYSA-N 1 2 322.361 2.521 20 5 DFBDLO COC(=O)C1([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)CCCC1 ZINC000352778604 428243717 /nfs/dbraw/zinc/24/37/17/428243717.db2.gz LEPKDCOUVQZTHG-UHFFFAOYSA-N 1 2 322.361 2.521 20 5 DFBDLO Cc1cccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1[N+](=O)[O-] ZINC000378071332 428299363 /nfs/dbraw/zinc/29/93/63/428299363.db2.gz FIXWJYZJWILCEZ-UHFFFAOYSA-N 1 2 314.345 2.646 20 5 DFBDLO Cc1cccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1[N+](=O)[O-] ZINC000378071332 428299375 /nfs/dbraw/zinc/29/93/75/428299375.db2.gz FIXWJYZJWILCEZ-UHFFFAOYSA-N 1 2 314.345 2.646 20 5 DFBDLO Cc1cccc(OCC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000353035396 428364219 /nfs/dbraw/zinc/36/42/19/428364219.db2.gz UZBSKCDTLFPXLN-UHFFFAOYSA-N 1 2 313.357 2.735 20 5 DFBDLO Cc1cccc(OCC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000353035396 428364226 /nfs/dbraw/zinc/36/42/26/428364226.db2.gz UZBSKCDTLFPXLN-UHFFFAOYSA-N 1 2 313.357 2.735 20 5 DFBDLO Cc1c(C[N@H+]2CCC[C@H]2c2nccn2C)cccc1[N+](=O)[O-] ZINC000378373033 428380107 /nfs/dbraw/zinc/38/01/07/428380107.db2.gz WPUQIZRZWKFSJD-HNNXBMFYSA-N 1 2 300.362 2.974 20 5 DFBDLO Cc1c(C[N@@H+]2CCC[C@H]2c2nccn2C)cccc1[N+](=O)[O-] ZINC000378373033 428380112 /nfs/dbraw/zinc/38/01/12/428380112.db2.gz WPUQIZRZWKFSJD-HNNXBMFYSA-N 1 2 300.362 2.974 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](CCO)C1CCCCC1 ZINC000343194589 428534075 /nfs/dbraw/zinc/53/40/75/428534075.db2.gz LRDXPBOFCUYBNL-OAHLLOKOSA-N 1 2 308.378 2.721 20 5 DFBDLO CCc1nc(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cs1 ZINC000373585486 428611491 /nfs/dbraw/zinc/61/14/91/428611491.db2.gz NYMKQIXVQXXDLZ-LBPRGKRZSA-N 1 2 321.406 2.647 20 5 DFBDLO CCc1nc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cs1 ZINC000373585486 428611498 /nfs/dbraw/zinc/61/14/98/428611498.db2.gz NYMKQIXVQXXDLZ-LBPRGKRZSA-N 1 2 321.406 2.647 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000373624234 428622469 /nfs/dbraw/zinc/62/24/69/428622469.db2.gz SVYQJSJCDXUXMX-LBPRGKRZSA-N 1 2 314.345 2.609 20 5 DFBDLO CCOC(=O)c1coc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000353947524 428788873 /nfs/dbraw/zinc/78/88/73/428788873.db2.gz YWUFFMZXZIIRQM-UHFFFAOYSA-N 1 2 304.302 2.654 20 5 DFBDLO COc1cc[nH+]cc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000353839507 428742455 /nfs/dbraw/zinc/74/24/55/428742455.db2.gz YUPKJUDNRMAKSC-UHFFFAOYSA-N 1 2 313.269 2.997 20 5 DFBDLO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)C(=O)OCC ZINC000411645250 428831265 /nfs/dbraw/zinc/83/12/65/428831265.db2.gz IFVMGBMQDAQKRC-LBPRGKRZSA-N 1 2 324.377 2.767 20 5 DFBDLO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)C(=O)OCC ZINC000411645250 428831268 /nfs/dbraw/zinc/83/12/68/428831268.db2.gz IFVMGBMQDAQKRC-LBPRGKRZSA-N 1 2 324.377 2.767 20 5 DFBDLO Cn1ncc2c1CCC[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000411862614 428872259 /nfs/dbraw/zinc/87/22/59/428872259.db2.gz YTCZXHSDJOBVGD-UHFFFAOYSA-N 1 2 320.780 2.930 20 5 DFBDLO Cn1ncc2c1CCC[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000411862614 428872266 /nfs/dbraw/zinc/87/22/66/428872266.db2.gz YTCZXHSDJOBVGD-UHFFFAOYSA-N 1 2 320.780 2.930 20 5 DFBDLO Cc1ccn2cc(CNC(=O)c3cc(C)ccc3[N+](=O)[O-])[nH+]c2c1 ZINC000359261719 428892304 /nfs/dbraw/zinc/89/23/04/428892304.db2.gz AOORNQBLEYAQRI-UHFFFAOYSA-N 1 2 324.340 2.789 20 5 DFBDLO CC(C)OCC[C@H](O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000349247448 428949530 /nfs/dbraw/zinc/94/95/30/428949530.db2.gz ZTMVHQQNJZDREY-HNNXBMFYSA-N 1 2 319.361 2.634 20 5 DFBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOC[C@H]2c2ccco2)cc1 ZINC000375795483 428975556 /nfs/dbraw/zinc/97/55/56/428975556.db2.gz RLLKNEMHVRTWTH-HNNXBMFYSA-N 1 2 302.330 2.804 20 5 DFBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCOC[C@H]2c2ccco2)cc1 ZINC000375795483 428975564 /nfs/dbraw/zinc/97/55/64/428975564.db2.gz RLLKNEMHVRTWTH-HNNXBMFYSA-N 1 2 302.330 2.804 20 5 DFBDLO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000423719570 429004041 /nfs/dbraw/zinc/00/40/41/429004041.db2.gz CKEGTMDXGIBVIM-NWDGAFQWSA-N 1 2 307.350 2.537 20 5 DFBDLO Cc1ccccc1C1=CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000376357039 429099729 /nfs/dbraw/zinc/09/97/29/429099729.db2.gz XLIXBQAJTWOENS-UHFFFAOYSA-N 1 2 312.373 2.926 20 5 DFBDLO Cc1ccccc1C1=CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000376357039 429099732 /nfs/dbraw/zinc/09/97/32/429099732.db2.gz XLIXBQAJTWOENS-UHFFFAOYSA-N 1 2 312.373 2.926 20 5 DFBDLO Cc1nc([C@H]2CCC[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)no1 ZINC000364019892 429159409 /nfs/dbraw/zinc/15/94/09/429159409.db2.gz MYSNDKWQJANPMP-CQSZACIVSA-N 1 2 318.333 2.502 20 5 DFBDLO Cc1nc([C@H]2CCC[N@H+]2CCOc2cccc([N+](=O)[O-])c2)no1 ZINC000364019892 429159411 /nfs/dbraw/zinc/15/94/11/429159411.db2.gz MYSNDKWQJANPMP-CQSZACIVSA-N 1 2 318.333 2.502 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1NCc1cn3ccccc3[nH+]1)CCN2 ZINC000436266317 429191769 /nfs/dbraw/zinc/19/17/69/429191769.db2.gz OGHWOPXTMBHAJP-UHFFFAOYSA-N 1 2 309.329 2.823 20 5 DFBDLO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)CCn1cc[nH+]c1 ZINC000456192869 429255752 /nfs/dbraw/zinc/25/57/52/429255752.db2.gz SEHCLURFNXWVDN-UHFFFAOYSA-N 1 2 317.349 2.640 20 5 DFBDLO Cc1cccc(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)c1[N+](=O)[O-] ZINC000456366702 429289762 /nfs/dbraw/zinc/28/97/62/429289762.db2.gz GWESWKXSROVCAG-JQWIXIFHSA-N 1 2 300.318 2.536 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456404121 429300033 /nfs/dbraw/zinc/30/00/33/429300033.db2.gz WYLZWAAMQPQOJF-MFKMUULPSA-N 1 2 300.318 2.536 20 5 DFBDLO COc1cc[nH+]cc1NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491380714 429355457 /nfs/dbraw/zinc/35/54/57/429355457.db2.gz FHRUQKVVDSKUDQ-HYXAFXHYSA-N 1 2 317.276 2.789 20 5 DFBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCO[C@H]4C[C@H]43)o2)cc1 ZINC000366561333 429475890 /nfs/dbraw/zinc/47/58/90/429475890.db2.gz RPMCHBUDVSEZST-ZBFHGGJFSA-N 1 2 300.314 2.828 20 5 DFBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCO[C@H]4C[C@H]43)o2)cc1 ZINC000366561333 429475895 /nfs/dbraw/zinc/47/58/95/429475895.db2.gz RPMCHBUDVSEZST-ZBFHGGJFSA-N 1 2 300.314 2.828 20 5 DFBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCO[C@H]3C[C@H]32)o1 ZINC000366560332 429475957 /nfs/dbraw/zinc/47/59/57/429475957.db2.gz PCAGKBPWQUFWHB-ZBFHGGJFSA-N 1 2 300.314 2.828 20 5 DFBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCO[C@H]3C[C@H]32)o1 ZINC000366560332 429475961 /nfs/dbraw/zinc/47/59/61/429475961.db2.gz PCAGKBPWQUFWHB-ZBFHGGJFSA-N 1 2 300.314 2.828 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000366614501 429488076 /nfs/dbraw/zinc/48/80/76/429488076.db2.gz CYFUAUBOQATZKN-GFCCVEGCSA-N 1 2 316.361 2.706 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000366614501 429488082 /nfs/dbraw/zinc/48/80/82/429488082.db2.gz CYFUAUBOQATZKN-GFCCVEGCSA-N 1 2 316.361 2.706 20 5 DFBDLO Cn1cc[nH+]c1[C@H]1CCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000366983789 429552276 /nfs/dbraw/zinc/55/22/76/429552276.db2.gz SQORCYDAHVKAMH-CQSZACIVSA-N 1 2 304.325 2.805 20 5 DFBDLO Cc1ccc([C@@H](C)NC(=O)C=Cc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000492816193 429621450 /nfs/dbraw/zinc/62/14/50/429621450.db2.gz ZJYVIVBKMNXKLG-ISALQUGTSA-N 1 2 300.318 2.517 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1nnc(C)s1 ZINC000430224267 429665289 /nfs/dbraw/zinc/66/52/89/429665289.db2.gz JFTTYGYXHQRTHA-QMMMGPOBSA-N 1 2 308.363 2.614 20 5 DFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1ccc(N(C)C)c[nH+]1 ZINC000468744860 429710627 /nfs/dbraw/zinc/71/06/27/429710627.db2.gz SOLMZICSCGBXQF-LCYFTJDESA-N 1 2 312.373 3.571 20 5 DFBDLO CN(C)c1ccc(Nc2nc3ccccc3cc2[N+](=O)[O-])c[nH+]1 ZINC000473508968 429714597 /nfs/dbraw/zinc/71/45/97/429714597.db2.gz NIDXIFYTWWXDGR-UHFFFAOYSA-N 1 2 309.329 3.348 20 5 DFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nnc(C2CC2)s1 ZINC000450933416 429732548 /nfs/dbraw/zinc/73/25/48/429732548.db2.gz DMCDTGHXYCDVNS-UHFFFAOYSA-N 1 2 318.402 2.998 20 5 DFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nnc(C2CC2)s1 ZINC000450933416 429732553 /nfs/dbraw/zinc/73/25/53/429732553.db2.gz DMCDTGHXYCDVNS-UHFFFAOYSA-N 1 2 318.402 2.998 20 5 DFBDLO Cc1c[nH]c(C(C)(C)NC(=O)C=Cc2ccccc2[N+](=O)[O-])[nH+]1 ZINC000493384225 429751500 /nfs/dbraw/zinc/75/15/00/429751500.db2.gz ISZSASOOUFFDTK-CMDGGOBGSA-N 1 2 314.345 2.691 20 5 DFBDLO C[C@]1(F)CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000451110625 429769706 /nfs/dbraw/zinc/76/97/06/429769706.db2.gz COVRYYMXGSARHZ-HOCLYGCPSA-N 1 2 321.352 2.524 20 5 DFBDLO C[C@]1(F)CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000451110625 429769709 /nfs/dbraw/zinc/76/97/09/429769709.db2.gz COVRYYMXGSARHZ-HOCLYGCPSA-N 1 2 321.352 2.524 20 5 DFBDLO CCc1nnc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000451545145 429850203 /nfs/dbraw/zinc/85/02/03/429850203.db2.gz GLTNRNFWACHBGL-CYBMUJFWSA-N 1 2 315.377 2.655 20 5 DFBDLO CCc1nnc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000451545145 429850206 /nfs/dbraw/zinc/85/02/06/429850206.db2.gz GLTNRNFWACHBGL-CYBMUJFWSA-N 1 2 315.377 2.655 20 5 DFBDLO C[C@@H](Nc1c(Cl)cccc1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000432308878 429812849 /nfs/dbraw/zinc/81/28/49/429812849.db2.gz UZQFNHYTDZOLSL-GHMZBOCLSA-N 1 2 313.785 2.769 20 5 DFBDLO Cc1cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc([N+](=O)[O-])c1 ZINC000368929309 429902330 /nfs/dbraw/zinc/90/23/30/429902330.db2.gz BBQRFQWIEYWSRH-GFCCVEGCSA-N 1 2 314.345 2.646 20 5 DFBDLO CC(C)[C@@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000559039836 429997152 /nfs/dbraw/zinc/99/71/52/429997152.db2.gz YJTHJPRMGVBHRK-BXUZGUMPSA-N 1 2 316.361 2.935 20 5 DFBDLO COc1cc(C[N@@H+]2C[C@H](C)OC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000568760270 430390093 /nfs/dbraw/zinc/39/00/93/430390093.db2.gz QERCYJPGBKIIEI-LBPRGKRZSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1cc(C[N@H+]2C[C@H](C)OC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000568760270 430390096 /nfs/dbraw/zinc/39/00/96/430390096.db2.gz QERCYJPGBKIIEI-LBPRGKRZSA-N 1 2 306.362 2.747 20 5 DFBDLO COCCCNc1ccc(-c2ccc(F)cc2[N+](=O)[O-])c[nH+]1 ZINC000600790849 430533723 /nfs/dbraw/zinc/53/37/23/430533723.db2.gz VNZRUBPXXPJZHY-UHFFFAOYSA-N 1 2 305.309 3.244 20 5 DFBDLO C[C@H](O)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000571768685 430651640 /nfs/dbraw/zinc/65/16/40/430651640.db2.gz ZAQJEWHAQNWXCY-MEDUHNTESA-N 1 2 304.321 2.946 20 5 DFBDLO CC(C)c1ccc(C[N@@H+]2CCC[C@@]23CCOC3=O)cc1[N+](=O)[O-] ZINC000190030193 278035653 /nfs/dbraw/zinc/03/56/53/278035653.db2.gz GPXXVBKIRJZQQX-KRWDZBQOSA-N 1 2 318.373 3.000 20 5 DFBDLO CC(C)c1ccc(C[N@H+]2CCC[C@@]23CCOC3=O)cc1[N+](=O)[O-] ZINC000190030193 278035654 /nfs/dbraw/zinc/03/56/54/278035654.db2.gz GPXXVBKIRJZQQX-KRWDZBQOSA-N 1 2 318.373 3.000 20 5 DFBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c1 ZINC000291349383 280364401 /nfs/dbraw/zinc/36/44/01/280364401.db2.gz XCGSPJARHVXVHM-JTQLQIEISA-N 1 2 320.723 2.698 20 5 DFBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC(F)(F)[C@H](CO)C2)c1 ZINC000291349383 280364403 /nfs/dbraw/zinc/36/44/03/280364403.db2.gz XCGSPJARHVXVHM-JTQLQIEISA-N 1 2 320.723 2.698 20 5 DFBDLO O=[N+]([O-])c1cnc(N2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)s1 ZINC000281850691 280379311 /nfs/dbraw/zinc/37/93/11/280379311.db2.gz JLXKIQNUBITMMY-LLVKDONJSA-N 1 2 319.390 2.995 20 5 DFBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cn2cc[nH+]c12 ZINC000436977985 297049327 /nfs/dbraw/zinc/04/93/27/297049327.db2.gz FXVRDOOZYPJTFB-UHFFFAOYSA-N 1 2 312.285 2.509 20 5 DFBDLO CCN1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000157418749 295348228 /nfs/dbraw/zinc/34/82/28/295348228.db2.gz WWWSPPZFIYRPDC-UHFFFAOYSA-N 1 2 315.373 2.992 20 5 DFBDLO O=C(NC1CCCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448555824 297342822 /nfs/dbraw/zinc/34/28/22/297342822.db2.gz LQJNBVQYNNAIDN-UHFFFAOYSA-N 1 2 314.345 2.843 20 5 DFBDLO CC(C)[C@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448653295 297352923 /nfs/dbraw/zinc/35/29/23/297352923.db2.gz BUEAGLBIFIMYMX-LBPRGKRZSA-N 1 2 316.361 2.897 20 5 DFBDLO CC1(C)C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448969662 297384617 /nfs/dbraw/zinc/38/46/17/297384617.db2.gz VVHVJPBOTKCFPS-LBPRGKRZSA-N 1 2 314.345 2.556 20 5 DFBDLO Cc1cc(N2CC[C@@H](F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450595161 297652684 /nfs/dbraw/zinc/65/26/84/297652684.db2.gz DWVBBAKKLHMLKY-GFCCVEGCSA-N 1 2 302.309 2.908 20 5 DFBDLO C[C@@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450966654 297723918 /nfs/dbraw/zinc/72/39/18/297723918.db2.gz HBULDAOGCCMOPS-YPMHNXCESA-N 1 2 314.345 2.699 20 5 DFBDLO Cc1c(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC000120329672 300918882 /nfs/dbraw/zinc/91/88/82/300918882.db2.gz MPQHAXONKTUMHX-AWEZNQCLSA-N 1 2 314.345 2.994 20 5 DFBDLO Cc1cccn2cc(CC(=O)N(C)c3cccc([N+](=O)[O-])c3)[nH+]c12 ZINC000533148743 301188831 /nfs/dbraw/zinc/18/88/31/301188831.db2.gz GBJLIPZWFDXVCF-UHFFFAOYSA-N 1 2 324.340 2.756 20 5 DFBDLO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000539121164 301338521 /nfs/dbraw/zinc/33/85/21/301338521.db2.gz BWAPEEQRXCWCOX-ABAIWWIYSA-N 1 2 315.377 2.989 20 5 DFBDLO CCC(=O)c1ccc(SC[C@@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000563807307 302099872 /nfs/dbraw/zinc/09/98/72/302099872.db2.gz JYFZVNYOWFURLK-LBPRGKRZSA-N 1 2 324.402 2.610 20 5 DFBDLO CCC(=O)c1ccc(SC[C@@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000563807307 302099874 /nfs/dbraw/zinc/09/98/74/302099874.db2.gz JYFZVNYOWFURLK-LBPRGKRZSA-N 1 2 324.402 2.610 20 5 DFBDLO Cc1ccnc(N2CCc3c([nH+]c(C(C)C)n3C)C2)c1[N+](=O)[O-] ZINC000115517956 302274876 /nfs/dbraw/zinc/27/48/76/302274876.db2.gz SNNQYCGVXOGDHS-UHFFFAOYSA-N 1 2 315.377 2.718 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCSC[C@H]1c1cccs1 ZINC000370054532 303019513 /nfs/dbraw/zinc/01/95/13/303019513.db2.gz BMWKMGSYJFSMIJ-NSHDSACASA-N 1 2 324.431 2.680 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCSC[C@H]1c1cccs1 ZINC000370054532 303019515 /nfs/dbraw/zinc/01/95/15/303019515.db2.gz BMWKMGSYJFSMIJ-NSHDSACASA-N 1 2 324.431 2.680 20 5 DFBDLO COC(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000183768074 316151523 /nfs/dbraw/zinc/15/15/23/316151523.db2.gz WTHQHNQGUVSMJC-UHFFFAOYSA-N 1 2 324.720 2.918 20 5 DFBDLO CO[C@H]1C[C@H]([N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C12CCC2 ZINC000449630675 317045577 /nfs/dbraw/zinc/04/55/77/317045577.db2.gz ILSKTWWXNUXOGM-GJZGRUSLSA-N 1 2 306.362 2.690 20 5 DFBDLO CO[C@H]1C[C@H]([N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C12CCC2 ZINC000449630675 317045588 /nfs/dbraw/zinc/04/55/88/317045588.db2.gz ILSKTWWXNUXOGM-GJZGRUSLSA-N 1 2 306.362 2.690 20 5 DFBDLO CC(C)OC(=O)[C@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000449668769 317050481 /nfs/dbraw/zinc/05/04/81/317050481.db2.gz WXKDBMOFVXOZTE-OLZOCXBDSA-N 1 2 308.378 2.846 20 5 DFBDLO CC[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450087575 317058067 /nfs/dbraw/zinc/05/80/67/317058067.db2.gz GCMYTZBHKOGLDM-GFCCVEGCSA-N 1 2 314.345 2.653 20 5 DFBDLO CCn1nncc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000459312904 317318146 /nfs/dbraw/zinc/31/81/46/317318146.db2.gz WWOQLPKZZINEQE-UHFFFAOYSA-N 1 2 303.366 2.617 20 5 DFBDLO CCn1nncc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000459312904 317318150 /nfs/dbraw/zinc/31/81/50/317318150.db2.gz WWOQLPKZZINEQE-UHFFFAOYSA-N 1 2 303.366 2.617 20 5 DFBDLO Cc1c[nH+]ccc1CCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000488102998 317367790 /nfs/dbraw/zinc/36/77/90/317367790.db2.gz QYNIFHLKPFDIQU-UHFFFAOYSA-N 1 2 308.341 2.923 20 5 DFBDLO CCOC(=O)C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000505605736 317688031 /nfs/dbraw/zinc/68/80/31/317688031.db2.gz UDARNCDLSPXIOF-UHFFFAOYSA-N 1 2 310.325 2.509 20 5 DFBDLO C[C@@H](O)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000571768684 317990911 /nfs/dbraw/zinc/99/09/11/317990911.db2.gz ZAQJEWHAQNWXCY-BZNIZROVSA-N 1 2 304.321 2.946 20 5 DFBDLO COc1cccc([N+](=O)[O-])c1N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000577906315 318225320 /nfs/dbraw/zinc/22/53/20/318225320.db2.gz GNVAVYZWTMMXTM-TZMCWYRMSA-N 1 2 316.361 2.887 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000578240260 318247932 /nfs/dbraw/zinc/24/79/32/318247932.db2.gz MSBLPROFWQINIM-NSHDSACASA-N 1 2 302.334 2.998 20 5 DFBDLO Cc1ccc([C@H](C)[NH2+]Cc2nc(C3CC3)nn2C)cc1[N+](=O)[O-] ZINC000580949283 323455055 /nfs/dbraw/zinc/45/50/55/323455055.db2.gz HUXGGTULUIVMDZ-NSHDSACASA-N 1 2 315.377 2.760 20 5 DFBDLO Cc1cc(NC[C@@H](O)C(C)C)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000156661898 525272467 /nfs/dbraw/zinc/27/24/67/525272467.db2.gz WGMIJVAFZZRLKA-CQSZACIVSA-N 1 2 316.361 2.789 20 5 DFBDLO CC(C)(C)Oc1cc(N2CCn3c[nH+]cc3C2)ccc1[N+](=O)[O-] ZINC000357583475 535002978 /nfs/dbraw/zinc/00/29/78/535002978.db2.gz QTADRTDFUNDZPL-UHFFFAOYSA-N 1 2 316.361 2.989 20 5 DFBDLO CC[C@H]1C[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCS1 ZINC000173931967 536132539 /nfs/dbraw/zinc/13/25/39/536132539.db2.gz TYRDEEWRZUHQLZ-ZDUSSCGKSA-N 1 2 323.418 2.669 20 5 DFBDLO CC[C@H]1C[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCS1 ZINC000173931967 536132545 /nfs/dbraw/zinc/13/25/45/536132545.db2.gz TYRDEEWRZUHQLZ-ZDUSSCGKSA-N 1 2 323.418 2.669 20 5 DFBDLO Cc1[nH+]c2n(c1C)CCN(c1ccc3cc([N+](=O)[O-])ccc3n1)C2 ZINC000368961948 282096642 /nfs/dbraw/zinc/09/66/42/282096642.db2.gz OMGCVRACMCHXPD-UHFFFAOYSA-N 1 2 323.356 2.977 20 5 DFBDLO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCn3ncnc32)cc1[N+](=O)[O-] ZINC000164701001 197661442 /nfs/dbraw/zinc/66/14/42/197661442.db2.gz POJRBHIFUYKWIN-YPMHNXCESA-N 1 2 301.350 2.680 20 5 DFBDLO Cc1ccc[nH+]c1CCCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000596255525 398369307 /nfs/dbraw/zinc/36/93/07/398369307.db2.gz SRPKFPPZRDOSNN-UHFFFAOYSA-N 1 2 306.753 2.813 20 5 DFBDLO CCC(=O)N1CC[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413193053 295684976 /nfs/dbraw/zinc/68/49/76/295684976.db2.gz GXUSGNJCDAXXHI-GFCCVEGCSA-N 1 2 314.345 2.566 20 5 DFBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CC2=CCCC2)CC1 ZINC000592059322 398378699 /nfs/dbraw/zinc/37/86/99/398378699.db2.gz GPNHSWCSXREVRI-UHFFFAOYSA-N 1 2 321.402 2.524 20 5 DFBDLO CCOC(=O)C1(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413226848 295688323 /nfs/dbraw/zinc/68/83/23/295688323.db2.gz INTDPXHXGLMGBU-UHFFFAOYSA-N 1 2 315.329 2.898 20 5 DFBDLO Cn1c(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)nnc1C1CC1 ZINC000413233785 295689117 /nfs/dbraw/zinc/68/91/17/295689117.db2.gz LTDYPAFWEJTGPF-UHFFFAOYSA-N 1 2 324.344 2.761 20 5 DFBDLO CCO[C@@H]1C[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)[C@@H]1OC ZINC000413237426 295689459 /nfs/dbraw/zinc/68/94/59/295689459.db2.gz RVLBLYROUJPNKX-KFWWJZLASA-N 1 2 317.345 2.747 20 5 DFBDLO CC[C@H]1C[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000092487165 185322193 /nfs/dbraw/zinc/32/21/93/185322193.db2.gz CVIJYJSUJSQHHN-AAEUAGOBSA-N 1 2 324.377 2.611 20 5 DFBDLO CC[C@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000092487165 185322194 /nfs/dbraw/zinc/32/21/94/185322194.db2.gz CVIJYJSUJSQHHN-AAEUAGOBSA-N 1 2 324.377 2.611 20 5 DFBDLO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000167718480 197713570 /nfs/dbraw/zinc/71/35/70/197713570.db2.gz RSHUBPAUEBDZEH-FZMZJTMJSA-N 1 2 315.377 2.934 20 5 DFBDLO Cc1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)o1 ZINC000015296484 398394008 /nfs/dbraw/zinc/39/40/08/398394008.db2.gz XDIGLCLZGPHAAS-UHFFFAOYSA-N 1 2 318.329 2.995 20 5 DFBDLO Cc1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)o1 ZINC000015296484 398394011 /nfs/dbraw/zinc/39/40/11/398394011.db2.gz XDIGLCLZGPHAAS-UHFFFAOYSA-N 1 2 318.329 2.995 20 5 DFBDLO CCC1(O)CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000286628777 219092711 /nfs/dbraw/zinc/09/27/11/219092711.db2.gz ZGKLEHIKPDMBHO-UHFFFAOYSA-N 1 2 300.305 2.610 20 5 DFBDLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000016513160 398401615 /nfs/dbraw/zinc/40/16/15/398401615.db2.gz XPNUXRCMSVOPDW-UHFFFAOYSA-N 1 2 313.357 2.974 20 5 DFBDLO Cc1ccc(NC(=O)C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000016513160 398401619 /nfs/dbraw/zinc/40/16/19/398401619.db2.gz XPNUXRCMSVOPDW-UHFFFAOYSA-N 1 2 313.357 2.974 20 5 DFBDLO Cc1ccn2cc(CNC(=O)c3cc([N+](=O)[O-])ccc3C)[nH+]c2c1 ZINC000067214456 398424081 /nfs/dbraw/zinc/42/40/81/398424081.db2.gz NDBBKWIZMCSCDL-UHFFFAOYSA-N 1 2 324.340 2.789 20 5 DFBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H](C)c1[nH+]ccn1C ZINC000596541269 398443102 /nfs/dbraw/zinc/44/31/02/398443102.db2.gz DUWYVCSLNVKASN-JTQLQIEISA-N 1 2 318.333 2.596 20 5 DFBDLO CCc1nnc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000586773524 398456116 /nfs/dbraw/zinc/45/61/16/398456116.db2.gz LYVXXAIVHBWVAJ-UHFFFAOYSA-N 1 2 306.391 2.683 20 5 DFBDLO CCc1nnc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000586773524 398456120 /nfs/dbraw/zinc/45/61/20/398456120.db2.gz LYVXXAIVHBWVAJ-UHFFFAOYSA-N 1 2 306.391 2.683 20 5 DFBDLO C[C@@H]1CO[C@H](C(F)(F)F)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000586777463 398457611 /nfs/dbraw/zinc/45/76/11/398457611.db2.gz PPEXHJMZSXUSQA-MFKMUULPSA-N 1 2 318.295 2.789 20 5 DFBDLO C[C@@H]1CO[C@H](C(F)(F)F)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000586777463 398457615 /nfs/dbraw/zinc/45/76/15/398457615.db2.gz PPEXHJMZSXUSQA-MFKMUULPSA-N 1 2 318.295 2.789 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000596634133 398466489 /nfs/dbraw/zinc/46/64/89/398466489.db2.gz UNMKFJBQTOICKI-VXGBXAGGSA-N 1 2 314.345 2.687 20 5 DFBDLO Cc1ccc(NC(=O)N[C@@H](C)c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000596633738 398466623 /nfs/dbraw/zinc/46/66/23/398466623.db2.gz AAHXDLSMZDKEPC-JTQLQIEISA-N 1 2 303.322 2.519 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000596639760 398468455 /nfs/dbraw/zinc/46/84/55/398468455.db2.gz YUJHWTFVLXURIL-JTQLQIEISA-N 1 2 303.322 2.519 20 5 DFBDLO CO[C@@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000181813798 199356499 /nfs/dbraw/zinc/35/64/99/199356499.db2.gz GEUAVIIAXKKRIB-QWRGUYRKSA-N 1 2 320.349 2.844 20 5 DFBDLO O=[N+]([O-])c1cccc(CCNc2cc(N3CCCC3)nc[nH+]2)c1 ZINC000277798362 213776580 /nfs/dbraw/zinc/77/65/80/213776580.db2.gz NENIPWPFWKILQN-UHFFFAOYSA-N 1 2 313.361 2.640 20 5 DFBDLO O=[N+]([O-])c1cccc(CCNc2cc(N3CCCC3)[nH+]cn2)c1 ZINC000277798362 213776582 /nfs/dbraw/zinc/77/65/82/213776582.db2.gz NENIPWPFWKILQN-UHFFFAOYSA-N 1 2 313.361 2.640 20 5 DFBDLO O=C(NCC1CCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032169556 398526520 /nfs/dbraw/zinc/52/65/20/398526520.db2.gz OPSZUGWSEDNYLC-UHFFFAOYSA-N 1 2 314.345 2.701 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1Cc2sccc2CC1(C)C ZINC000459572481 299137418 /nfs/dbraw/zinc/13/74/18/299137418.db2.gz AOTZANDBFUDYQO-UHFFFAOYSA-N 1 2 306.391 2.727 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1Cc2sccc2CC1(C)C ZINC000459572481 299137421 /nfs/dbraw/zinc/13/74/21/299137421.db2.gz AOTZANDBFUDYQO-UHFFFAOYSA-N 1 2 306.391 2.727 20 5 DFBDLO COc1ccc(C[N@@H+]2CCO[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000279712458 215082980 /nfs/dbraw/zinc/08/29/80/215082980.db2.gz IBJCMDFRCKHMOM-HNNXBMFYSA-N 1 2 308.378 2.850 20 5 DFBDLO COc1ccc(C[N@H+]2CCO[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000279712458 215082983 /nfs/dbraw/zinc/08/29/83/215082983.db2.gz IBJCMDFRCKHMOM-HNNXBMFYSA-N 1 2 308.378 2.850 20 5 DFBDLO O=[N+]([O-])c1cccnc1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000068938012 398539382 /nfs/dbraw/zinc/53/93/82/398539382.db2.gz BIMHAZYRFHGQHA-UHFFFAOYSA-N 1 2 314.345 2.566 20 5 DFBDLO COc1ccc(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000459620478 299149568 /nfs/dbraw/zinc/14/95/68/299149568.db2.gz LRBQLODAGOGGRT-UHFFFAOYSA-N 1 2 314.341 2.867 20 5 DFBDLO Cc1ccc([C@H](C)[NH2+]Cc2ncnn2C(C)C)cc1[N+](=O)[O-] ZINC000279795962 215153352 /nfs/dbraw/zinc/15/33/52/215153352.db2.gz WDRDBRFPHPXOIM-LBPRGKRZSA-N 1 2 303.366 2.926 20 5 DFBDLO CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000589954234 398586002 /nfs/dbraw/zinc/58/60/02/398586002.db2.gz NKOWRZLDVWILAM-LBPRGKRZSA-N 1 2 317.349 2.507 20 5 DFBDLO C[C@H](O)C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000092974219 398611293 /nfs/dbraw/zinc/61/12/93/398611293.db2.gz CGVDWKCRVAOURX-LBPRGKRZSA-N 1 2 308.378 2.816 20 5 DFBDLO C[C@H](O)C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000092974219 398611295 /nfs/dbraw/zinc/61/12/95/398611295.db2.gz CGVDWKCRVAOURX-LBPRGKRZSA-N 1 2 308.378 2.816 20 5 DFBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H](C)c1[nH]cc[nH+]1 ZINC000590567783 398631605 /nfs/dbraw/zinc/63/16/05/398631605.db2.gz IFEQLJVWIWZJAA-SSDOTTSWSA-N 1 2 324.724 2.931 20 5 DFBDLO O=[N+]([O-])c1ccc(N2CCc3[nH+]c[nH]c3C2)cc1C(F)(F)F ZINC000590567526 398631820 /nfs/dbraw/zinc/63/18/20/398631820.db2.gz MKZXZBAKVOGHTC-UHFFFAOYSA-N 1 2 312.251 2.899 20 5 DFBDLO COCC[N@H+](Cc1ccc(C)o1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093707124 398643314 /nfs/dbraw/zinc/64/33/14/398643314.db2.gz JQNIHTZHYNHABA-UHFFFAOYSA-N 1 2 320.345 2.850 20 5 DFBDLO COCC[N@@H+](Cc1ccc(C)o1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093707124 398643317 /nfs/dbraw/zinc/64/33/17/398643317.db2.gz JQNIHTZHYNHABA-UHFFFAOYSA-N 1 2 320.345 2.850 20 5 DFBDLO O=C(C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000186008425 186230745 /nfs/dbraw/zinc/23/07/45/186230745.db2.gz LFBVQPFOBHQGHB-UHFFFAOYSA-N 1 2 316.279 2.938 20 5 DFBDLO CCC(=O)c1ccc(NCCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000280087333 215366136 /nfs/dbraw/zinc/36/61/36/215366136.db2.gz SDGYWVPHAXHAFA-UHFFFAOYSA-N 1 2 302.334 2.886 20 5 DFBDLO Cc1ccc(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)nc1 ZINC000590754904 398666924 /nfs/dbraw/zinc/66/69/24/398666924.db2.gz YXRJEFZMTNBLPS-UHFFFAOYSA-N 1 2 311.345 2.807 20 5 DFBDLO Cc1ccc(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)nc1 ZINC000590754904 398666927 /nfs/dbraw/zinc/66/69/27/398666927.db2.gz YXRJEFZMTNBLPS-UHFFFAOYSA-N 1 2 311.345 2.807 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000597667382 398677495 /nfs/dbraw/zinc/67/74/95/398677495.db2.gz ROUIIQRWVKKMGU-GFCCVEGCSA-N 1 2 314.345 2.609 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000597666588 398677657 /nfs/dbraw/zinc/67/76/57/398677657.db2.gz JKNYQPNQYWIPPR-GFCCVEGCSA-N 1 2 314.345 2.609 20 5 DFBDLO O=C(CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)NC1CCCC1 ZINC000591143019 398730996 /nfs/dbraw/zinc/73/09/96/398730996.db2.gz CLFWLXAEOFFGLS-UHFFFAOYSA-N 1 2 314.345 2.614 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCOC[C@@H]3CCCO3)c2c1 ZINC000591147214 398731947 /nfs/dbraw/zinc/73/19/47/398731947.db2.gz QWVADOKTQIUTCX-AWEZNQCLSA-N 1 2 317.345 2.751 20 5 DFBDLO CC[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000594308454 398782084 /nfs/dbraw/zinc/78/20/84/398782084.db2.gz RBADZNQPQTVXNU-ABAIWWIYSA-N 1 2 316.361 2.764 20 5 DFBDLO CC[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000594308454 398782085 /nfs/dbraw/zinc/78/20/85/398782085.db2.gz RBADZNQPQTVXNU-ABAIWWIYSA-N 1 2 316.361 2.764 20 5 DFBDLO Cc1cc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000075553162 398809751 /nfs/dbraw/zinc/80/97/51/398809751.db2.gz XACSFFKOCXZWOK-CYBMUJFWSA-N 1 2 314.345 2.646 20 5 DFBDLO C[N@H+](Cc1cccc2c1OCO2)Cc1ccccc1[N+](=O)[O-] ZINC000179315367 199013843 /nfs/dbraw/zinc/01/38/43/199013843.db2.gz YJFQCMSWNFJBSH-UHFFFAOYSA-N 1 2 300.314 2.956 20 5 DFBDLO C[N@@H+](Cc1cccc2c1OCO2)Cc1ccccc1[N+](=O)[O-] ZINC000179315367 199013844 /nfs/dbraw/zinc/01/38/44/199013844.db2.gz YJFQCMSWNFJBSH-UHFFFAOYSA-N 1 2 300.314 2.956 20 5 DFBDLO Cc1nn(C)c(NCc2cn3cc(Cl)ccc3[nH+]2)c1[N+](=O)[O-] ZINC000051650686 398824867 /nfs/dbraw/zinc/82/48/67/398824867.db2.gz ITJMEFUPODOBLA-UHFFFAOYSA-N 1 2 320.740 2.550 20 5 DFBDLO CC(=O)c1ccc(NCc2ccc[nH+]c2N(C)C)c([N+](=O)[O-])c1 ZINC000052075285 398832580 /nfs/dbraw/zinc/83/25/80/398832580.db2.gz PTYMGBOVOFXRJO-UHFFFAOYSA-N 1 2 314.345 2.871 20 5 DFBDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cscn1 ZINC000594709133 398846488 /nfs/dbraw/zinc/84/64/88/398846488.db2.gz CJDASXNFBIHYCB-ZJUUUORDSA-N 1 2 320.374 2.729 20 5 DFBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1cnc3ccccn13)C2 ZINC000153004854 283348847 /nfs/dbraw/zinc/34/88/47/283348847.db2.gz FISFKZJNXGVEIR-UHFFFAOYSA-N 1 2 308.341 2.801 20 5 DFBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1cnc3ccccn13)C2 ZINC000153004854 283348851 /nfs/dbraw/zinc/34/88/51/283348851.db2.gz FISFKZJNXGVEIR-UHFFFAOYSA-N 1 2 308.341 2.801 20 5 DFBDLO O=[N+]([O-])c1cccc2c1CCN(Cc1c[nH+]c3ccccn13)C2 ZINC000153004854 283348853 /nfs/dbraw/zinc/34/88/53/283348853.db2.gz FISFKZJNXGVEIR-UHFFFAOYSA-N 1 2 308.341 2.801 20 5 DFBDLO CCCn1c(C)nnc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180459916 199162388 /nfs/dbraw/zinc/16/23/88/199162388.db2.gz VRBMCVFTSZAZAF-NSHDSACASA-N 1 2 303.366 2.756 20 5 DFBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](CCOCC(F)(F)F)C2 ZINC000153331890 283363277 /nfs/dbraw/zinc/36/32/77/283363277.db2.gz HPBKAFMUJMXGAQ-UHFFFAOYSA-N 1 2 304.268 2.532 20 5 DFBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCOCC(F)(F)F)C2 ZINC000153331890 283363280 /nfs/dbraw/zinc/36/32/80/283363280.db2.gz HPBKAFMUJMXGAQ-UHFFFAOYSA-N 1 2 304.268 2.532 20 5 DFBDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cscn1 ZINC000594966146 398883139 /nfs/dbraw/zinc/88/31/39/398883139.db2.gz NPEBVEWQFBSCNZ-VIFPVBQESA-N 1 2 321.358 2.769 20 5 DFBDLO COc1ccnc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1F ZINC000594976857 398885265 /nfs/dbraw/zinc/88/52/65/398885265.db2.gz HZKVZPUAZQAFKD-UHFFFAOYSA-N 1 2 305.309 2.736 20 5 DFBDLO CCCCN(C)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595014464 398891867 /nfs/dbraw/zinc/89/18/67/398891867.db2.gz AJSZJYNMRWRNNO-ZDUSSCGKSA-N 1 2 309.410 2.986 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ncccc1F ZINC000595036101 398895988 /nfs/dbraw/zinc/89/59/88/398895988.db2.gz OZPHIKJYGZQPCW-JTQLQIEISA-N 1 2 305.309 2.988 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cc(C)ncn1 ZINC000595035500 398895804 /nfs/dbraw/zinc/89/58/04/398895804.db2.gz KLQUHTBKEVUCEQ-LLVKDONJSA-N 1 2 302.334 2.553 20 5 DFBDLO COc1ccncc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595040689 398896676 /nfs/dbraw/zinc/89/66/76/398896676.db2.gz ZIYFQPSLXLLWHW-LLVKDONJSA-N 1 2 317.345 2.858 20 5 DFBDLO CCn1ccnc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595042763 398896478 /nfs/dbraw/zinc/89/64/78/398896478.db2.gz UUIMMQCCNLDLNT-LLVKDONJSA-N 1 2 304.350 2.671 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)c1ccn(C)n1 ZINC000595054135 398897947 /nfs/dbraw/zinc/89/79/47/398897947.db2.gz XROPSWYYZFCCTM-WDEREUQCSA-N 1 2 304.350 2.749 20 5 DFBDLO CC[C@H]([NH2+][C@H]1C[C@H](C)n2ncnc21)c1cccc([N+](=O)[O-])c1 ZINC000595063000 398900536 /nfs/dbraw/zinc/90/05/36/398900536.db2.gz BQJWEGMCZCAYPU-BPNCWPANSA-N 1 2 301.350 2.933 20 5 DFBDLO CCC[C@@H]1C(=O)NCC[N@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470179661 299293270 /nfs/dbraw/zinc/29/32/70/299293270.db2.gz ARATZHBYKLZFCW-QSOAKEGCSA-N 1 2 317.389 2.599 20 5 DFBDLO CCC[C@@H]1C(=O)NCC[N@@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470179661 299293273 /nfs/dbraw/zinc/29/32/73/299293273.db2.gz ARATZHBYKLZFCW-QSOAKEGCSA-N 1 2 317.389 2.599 20 5 DFBDLO COC(=O)C1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599017545 398908167 /nfs/dbraw/zinc/90/81/67/398908167.db2.gz YKFKAFZGQPXGAA-UHFFFAOYSA-N 1 2 315.329 2.532 20 5 DFBDLO O=C(CCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])NC1CC1 ZINC000599020675 398908685 /nfs/dbraw/zinc/90/86/85/398908685.db2.gz XDIWOYHZCQLNAF-UHFFFAOYSA-N 1 2 314.345 2.614 20 5 DFBDLO C[C@@H](CN1CCCC1=O)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599024262 398909786 /nfs/dbraw/zinc/90/97/86/398909786.db2.gz OKBXDUSQEHFWFT-NSHDSACASA-N 1 2 314.345 2.566 20 5 DFBDLO C[C@@H](O)C1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599044397 398911866 /nfs/dbraw/zinc/91/18/66/398911866.db2.gz ROYSYAPPTAUQJE-LLVKDONJSA-N 1 2 301.346 2.740 20 5 DFBDLO CCC(=O)N1CC[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599056120 398914630 /nfs/dbraw/zinc/91/46/30/398914630.db2.gz JTEGWCNCPUDUEG-LBPRGKRZSA-N 1 2 314.345 2.566 20 5 DFBDLO CCOC(=O)[C@@H](C)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599062493 398915048 /nfs/dbraw/zinc/91/50/48/398915048.db2.gz RVRNAMCQCJSZHP-JTQLQIEISA-N 1 2 303.318 2.754 20 5 DFBDLO Cc1noc(C[N@H+](C)CCOc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000595286179 398916064 /nfs/dbraw/zinc/91/60/64/398916064.db2.gz DPHJOOVPARTLCA-UHFFFAOYSA-N 1 2 305.334 2.710 20 5 DFBDLO Cc1noc(C[N@@H+](C)CCOc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000595286179 398916067 /nfs/dbraw/zinc/91/60/67/398916067.db2.gz DPHJOOVPARTLCA-UHFFFAOYSA-N 1 2 305.334 2.710 20 5 DFBDLO CO[C@@H](CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])[C@H]1CCOC1 ZINC000599099567 398921254 /nfs/dbraw/zinc/92/12/54/398921254.db2.gz ZYBHCSJHWUFPNH-WFASDCNBSA-N 1 2 317.345 2.606 20 5 DFBDLO C[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@]1(C)CO ZINC000599111715 398922552 /nfs/dbraw/zinc/92/25/52/398922552.db2.gz QEKFMRWZBNEFBS-BDJLRTHQSA-N 1 2 301.346 2.598 20 5 DFBDLO C[C@H]1OCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1C ZINC000089909974 291206447 /nfs/dbraw/zinc/20/64/47/291206447.db2.gz OCDFXCLBGAUMJW-VXGBXAGGSA-N 1 2 317.345 2.859 20 5 DFBDLO C[C@H]1OCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1C ZINC000089909974 291206452 /nfs/dbraw/zinc/20/64/52/291206452.db2.gz OCDFXCLBGAUMJW-VXGBXAGGSA-N 1 2 317.345 2.859 20 5 DFBDLO Cc1noc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)c1[N+](=O)[O-] ZINC000595344797 398924969 /nfs/dbraw/zinc/92/49/69/398924969.db2.gz JBJVTUZUJJQLCE-CYBMUJFWSA-N 1 2 302.334 2.932 20 5 DFBDLO Cc1noc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)c1[N+](=O)[O-] ZINC000595344797 398924972 /nfs/dbraw/zinc/92/49/72/398924972.db2.gz JBJVTUZUJJQLCE-CYBMUJFWSA-N 1 2 302.334 2.932 20 5 DFBDLO C[N@@H+]1CCOC[C@@H]1CNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000599160884 398931723 /nfs/dbraw/zinc/93/17/23/398931723.db2.gz KRJYFEOJKRKKRK-ZDUSSCGKSA-N 1 2 323.393 2.515 20 5 DFBDLO C[N@H+]1CCOC[C@@H]1CNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000599160884 398931726 /nfs/dbraw/zinc/93/17/26/398931726.db2.gz KRJYFEOJKRKKRK-ZDUSSCGKSA-N 1 2 323.393 2.515 20 5 DFBDLO COc1ccc(OC)c([C@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])c1 ZINC000595407946 398933377 /nfs/dbraw/zinc/93/33/77/398933377.db2.gz HYKIBLIDGSHLER-VIFPVBQESA-N 1 2 321.333 2.759 20 5 DFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCO[C@H](CCF)C1 ZINC000599168213 398932946 /nfs/dbraw/zinc/93/29/46/398932946.db2.gz BTSIYTGDBRRWMG-GFCCVEGCSA-N 1 2 305.309 2.708 20 5 DFBDLO Cc1noc(C[N@H+]2Cc3ccccc3OC[C@H]2C)c1[N+](=O)[O-] ZINC000595424973 398935486 /nfs/dbraw/zinc/93/54/86/398935486.db2.gz JKQFJXWKKVUCET-SNVBAGLBSA-N 1 2 303.318 2.674 20 5 DFBDLO Cc1noc(C[N@@H+]2Cc3ccccc3OC[C@H]2C)c1[N+](=O)[O-] ZINC000595424973 398935489 /nfs/dbraw/zinc/93/54/89/398935489.db2.gz JKQFJXWKKVUCET-SNVBAGLBSA-N 1 2 303.318 2.674 20 5 DFBDLO Cc1cnc([C@@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])C2CC2)s1 ZINC000595432632 398937203 /nfs/dbraw/zinc/93/72/03/398937203.db2.gz TVAWWULMYDMYJH-NSHDSACASA-N 1 2 308.363 2.897 20 5 DFBDLO CCc1nnc([C@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])[nH]1 ZINC000595482902 398947889 /nfs/dbraw/zinc/94/78/89/398947889.db2.gz CWYHSSCTHFACPG-NSHDSACASA-N 1 2 303.366 2.511 20 5 DFBDLO CCc1nnc([C@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])[nH]1 ZINC000595482902 398947891 /nfs/dbraw/zinc/94/78/91/398947891.db2.gz CWYHSSCTHFACPG-NSHDSACASA-N 1 2 303.366 2.511 20 5 DFBDLO C[C@H]([NH2+]C[C@H]1CC2(CCC2)C(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000192152456 200828968 /nfs/dbraw/zinc/82/89/68/200828968.db2.gz NAYSRLFPLBNKDV-SMDDNHRTSA-N 1 2 304.346 2.731 20 5 DFBDLO Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c(C)[nH+]1 ZINC000281403891 216275828 /nfs/dbraw/zinc/27/58/28/216275828.db2.gz HWNDUKNVKOOHOD-UHFFFAOYSA-N 1 2 315.329 2.933 20 5 DFBDLO COC[C@@]1(C)C[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000600212434 399008689 /nfs/dbraw/zinc/00/86/89/399008689.db2.gz DMZAJJTUHLFMTF-QGZVFWFLSA-N 1 2 322.405 2.956 20 5 DFBDLO COC[C@@]1(C)C[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000600212434 399008693 /nfs/dbraw/zinc/00/86/93/399008693.db2.gz DMZAJJTUHLFMTF-QGZVFWFLSA-N 1 2 322.405 2.956 20 5 DFBDLO CC1(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447815626 297318426 /nfs/dbraw/zinc/31/84/26/297318426.db2.gz GZZSHDUHWTYCBW-UHFFFAOYSA-N 1 2 305.378 2.639 20 5 DFBDLO CCC(F)(F)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000600378977 399041033 /nfs/dbraw/zinc/04/10/33/399041033.db2.gz BPGNGOKTODXSAC-UHFFFAOYSA-N 1 2 324.287 2.556 20 5 DFBDLO CC(C)(C)OC(=O)C(C)(C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000599648314 399043312 /nfs/dbraw/zinc/04/33/12/399043312.db2.gz HYHUUMYFNNWGIQ-UHFFFAOYSA-N 1 2 324.377 2.684 20 5 DFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCc2c(O)cccc2C1 ZINC000599645159 399041465 /nfs/dbraw/zinc/04/14/65/399041465.db2.gz DDWGBLCMUGLCPS-UHFFFAOYSA-N 1 2 302.305 2.998 20 5 DFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCc2c(O)cccc2C1 ZINC000599645159 399041470 /nfs/dbraw/zinc/04/14/70/399041470.db2.gz DDWGBLCMUGLCPS-UHFFFAOYSA-N 1 2 302.305 2.998 20 5 DFBDLO COC(=O)[C@@]1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC[C@@H](C)CC1 ZINC000595708693 399049538 /nfs/dbraw/zinc/04/95/38/399049538.db2.gz OYZFFKWCLLYCON-WJYNOGRTSA-N 1 2 320.389 2.849 20 5 DFBDLO CC(C)(C)OC(=O)C(C)(C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000599662524 399050671 /nfs/dbraw/zinc/05/06/71/399050671.db2.gz ZZLQWEGUQDUYDU-UHFFFAOYSA-N 1 2 308.378 2.847 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@](O)(C3CC3)C2)c(F)c1 ZINC000595750463 399068812 /nfs/dbraw/zinc/06/88/12/399068812.db2.gz MZTRBPMOENKMNS-HNNXBMFYSA-N 1 2 312.316 2.610 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)c(F)c1 ZINC000595750463 399068820 /nfs/dbraw/zinc/06/88/20/399068820.db2.gz MZTRBPMOENKMNS-HNNXBMFYSA-N 1 2 312.316 2.610 20 5 DFBDLO COc1ccc2c(c1)CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000595761023 399074469 /nfs/dbraw/zinc/07/44/69/399074469.db2.gz YMRFHIFQGYJYBT-UHFFFAOYSA-N 1 2 314.341 2.867 20 5 DFBDLO COc1ccc2c(c1)CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000595761023 399074473 /nfs/dbraw/zinc/07/44/73/399074473.db2.gz YMRFHIFQGYJYBT-UHFFFAOYSA-N 1 2 314.341 2.867 20 5 DFBDLO COc1cc(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000595779715 399081843 /nfs/dbraw/zinc/08/18/43/399081843.db2.gz GROQZOPQPYWYJW-MNOVXSKESA-N 1 2 312.341 2.742 20 5 DFBDLO COc1cc(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000595779715 399081851 /nfs/dbraw/zinc/08/18/51/399081851.db2.gz GROQZOPQPYWYJW-MNOVXSKESA-N 1 2 312.341 2.742 20 5 DFBDLO CC12CC(C1)C[N@@H+]2CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595917375 399135341 /nfs/dbraw/zinc/13/53/41/399135341.db2.gz YYGWIOUVIYAVKL-UHFFFAOYSA-N 1 2 309.753 2.671 20 5 DFBDLO CC12CC(C1)C[N@H+]2CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595917375 399135345 /nfs/dbraw/zinc/13/53/45/399135345.db2.gz YYGWIOUVIYAVKL-UHFFFAOYSA-N 1 2 309.753 2.671 20 5 DFBDLO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000595921208 399137924 /nfs/dbraw/zinc/13/79/24/399137924.db2.gz JTGXYFDVFFMCLM-QMTHXVAHSA-N 1 2 300.305 2.839 20 5 DFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000595921208 399137929 /nfs/dbraw/zinc/13/79/29/399137929.db2.gz JTGXYFDVFFMCLM-QMTHXVAHSA-N 1 2 300.305 2.839 20 5 DFBDLO CC(C)N(C)c1ccc(-c2cc([N+](=O)[O-])ccc2CO)c[nH+]1 ZINC000600783383 399144750 /nfs/dbraw/zinc/14/47/50/399144750.db2.gz UIXGCVJWTUMVQO-UHFFFAOYSA-N 1 2 301.346 2.994 20 5 DFBDLO CC[C@H](CO)Nc1ccc(-c2ccc(F)cc2[N+](=O)[O-])c[nH+]1 ZINC000600789859 399147492 /nfs/dbraw/zinc/14/74/92/399147492.db2.gz NVNRTWVZDXPOTC-GFCCVEGCSA-N 1 2 305.309 2.979 20 5 DFBDLO Cc1ccc(N2CC[NH+](Cc3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000080535250 399157268 /nfs/dbraw/zinc/15/72/68/399157268.db2.gz RSUMRCHWPXCSIF-UHFFFAOYSA-N 1 2 312.373 2.620 20 5 DFBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1[nH]cc[nH+]1 ZINC000342089869 284324285 /nfs/dbraw/zinc/32/42/85/284324285.db2.gz CHVCXCBRZDPKJC-UHFFFAOYSA-N 1 2 320.374 2.748 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000266054371 205060018 /nfs/dbraw/zinc/06/00/18/205060018.db2.gz BDTMGPDVJVOHCG-UHFFFAOYSA-N 1 2 314.345 2.646 20 5 DFBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000266160911 205148979 /nfs/dbraw/zinc/14/89/79/205148979.db2.gz SXLWIBICTCKBCB-AWEZNQCLSA-N 1 2 314.345 2.614 20 5 DFBDLO O=[N+]([O-])c1cc(F)cnc1NCC[NH+]1Cc2ccccc2C1 ZINC000601108285 399229939 /nfs/dbraw/zinc/22/99/39/399229939.db2.gz GOKPNPYVGFVPQA-UHFFFAOYSA-N 1 2 302.309 2.557 20 5 DFBDLO CCc1cnc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 ZINC000601149315 399240890 /nfs/dbraw/zinc/24/08/90/399240890.db2.gz KYEFSCATMCVPPG-HNNXBMFYSA-N 1 2 321.402 2.611 20 5 DFBDLO COc1cc(C(=O)NCc2cc(C)[nH+]c(C)c2)ccc1[N+](=O)[O-] ZINC000421576839 296267522 /nfs/dbraw/zinc/26/75/22/296267522.db2.gz NRIOEOFBGWTLEK-UHFFFAOYSA-N 1 2 315.329 2.545 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609131854 399304745 /nfs/dbraw/zinc/30/47/45/399304745.db2.gz YQHBBXQATGILBH-AWEZNQCLSA-N 1 2 314.345 2.577 20 5 DFBDLO Cc1c(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000609131219 399304546 /nfs/dbraw/zinc/30/45/46/399304546.db2.gz KRBNKCDIZVVXKI-ZDUSSCGKSA-N 1 2 314.345 2.577 20 5 DFBDLO C[C@H]1OCC[C@]12C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000619175531 399307361 /nfs/dbraw/zinc/30/73/61/399307361.db2.gz INHUDCHDLUAGFK-HSMVNMDESA-N 1 2 324.352 2.502 20 5 DFBDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000619175531 399307364 /nfs/dbraw/zinc/30/73/64/399307364.db2.gz INHUDCHDLUAGFK-HSMVNMDESA-N 1 2 324.352 2.502 20 5 DFBDLO O=C(Nc1ccc2[nH+]ccn2c1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000609623118 399327075 /nfs/dbraw/zinc/32/70/75/399327075.db2.gz NXDZMVUTGWRUBL-UHFFFAOYSA-N 1 2 321.296 2.976 20 5 DFBDLO Cc1cnn([C@@H]2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)c1 ZINC000105901422 194164676 /nfs/dbraw/zinc/16/46/76/194164676.db2.gz DNLXUZGISVQQTJ-CYBMUJFWSA-N 1 2 306.391 2.998 20 5 DFBDLO Cc1cnn([C@@H]2CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)c1 ZINC000105901422 194164678 /nfs/dbraw/zinc/16/46/78/194164678.db2.gz DNLXUZGISVQQTJ-CYBMUJFWSA-N 1 2 306.391 2.998 20 5 DFBDLO CC(C)C[C@@H](CO)[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285164815 218316041 /nfs/dbraw/zinc/31/60/41/218316041.db2.gz CELNBVOJDTUYCD-NSHDSACASA-N 1 2 302.321 2.712 20 5 DFBDLO CC(C)C[C@@H](CO)[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285164815 218316042 /nfs/dbraw/zinc/31/60/42/218316042.db2.gz CELNBVOJDTUYCD-NSHDSACASA-N 1 2 302.321 2.712 20 5 DFBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000285280754 218364778 /nfs/dbraw/zinc/36/47/78/218364778.db2.gz FPAFBNCZPWNXIX-AWEZNQCLSA-N 1 2 316.361 2.924 20 5 DFBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000285280754 218364779 /nfs/dbraw/zinc/36/47/79/218364779.db2.gz FPAFBNCZPWNXIX-AWEZNQCLSA-N 1 2 316.361 2.924 20 5 DFBDLO CC(C)C[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000602075126 399391455 /nfs/dbraw/zinc/39/14/55/399391455.db2.gz VVCYJEHXQQSLBZ-OAHLLOKOSA-N 1 2 316.361 2.695 20 5 DFBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2cnc3ccnn3c2)C2CC2)c1 ZINC000610865012 399413673 /nfs/dbraw/zinc/41/36/73/399413673.db2.gz KGOSUWXZZZJKKG-UHFFFAOYSA-N 1 2 323.356 2.802 20 5 DFBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cnc3ccnn3c2)C2CC2)c1 ZINC000610865012 399413675 /nfs/dbraw/zinc/41/36/75/399413675.db2.gz KGOSUWXZZZJKKG-UHFFFAOYSA-N 1 2 323.356 2.802 20 5 DFBDLO COCC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000602443999 399446305 /nfs/dbraw/zinc/44/63/05/399446305.db2.gz IGYTWPJIVGAHMR-ZDUSSCGKSA-N 1 2 318.377 2.538 20 5 DFBDLO COCC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000602443999 399446308 /nfs/dbraw/zinc/44/63/08/399446308.db2.gz IGYTWPJIVGAHMR-ZDUSSCGKSA-N 1 2 318.377 2.538 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000611273839 399456275 /nfs/dbraw/zinc/45/62/75/399456275.db2.gz MKGJYDFXVMRPDS-UHFFFAOYSA-N 1 2 324.340 2.776 20 5 DFBDLO O=[N+]([O-])c1ccsc1N1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000611290194 399458888 /nfs/dbraw/zinc/45/88/88/399458888.db2.gz WNIQQLNTUFXWAM-NSHDSACASA-N 1 2 304.375 2.990 20 5 DFBDLO Cn1cc(C[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)c([N+](=O)[O-])n1 ZINC000602683951 399519063 /nfs/dbraw/zinc/51/90/63/399519063.db2.gz YORGIMZOJJIDFB-ZDUSSCGKSA-N 1 2 302.334 2.649 20 5 DFBDLO Cn1cc(C[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)c([N+](=O)[O-])n1 ZINC000602683951 399519065 /nfs/dbraw/zinc/51/90/65/399519065.db2.gz YORGIMZOJJIDFB-ZDUSSCGKSA-N 1 2 302.334 2.649 20 5 DFBDLO CNc1ccc(Nc2cc(C(=O)OC)ccc2[N+](=O)[O-])c[nH+]1 ZINC000302073612 533066011 /nfs/dbraw/zinc/06/60/11/533066011.db2.gz GBGRXZNIQIGKNL-UHFFFAOYSA-N 1 2 302.290 2.562 20 5 DFBDLO CCC[C@]1(CO)CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000288643917 220317472 /nfs/dbraw/zinc/31/74/72/220317472.db2.gz ATMXMMSZJDSMSC-HNNXBMFYSA-N 1 2 314.332 2.858 20 5 DFBDLO CCC[C@]1(CO)CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000288643917 220317474 /nfs/dbraw/zinc/31/74/74/220317474.db2.gz ATMXMMSZJDSMSC-HNNXBMFYSA-N 1 2 314.332 2.858 20 5 DFBDLO Cc1c(C[N@@H+]2CCOC[C@@H]2CC(F)F)cccc1[N+](=O)[O-] ZINC000286512699 219029998 /nfs/dbraw/zinc/02/99/98/219029998.db2.gz QGUMMQJMCVMOLB-LBPRGKRZSA-N 1 2 300.305 2.759 20 5 DFBDLO Cc1c(C[N@H+]2CCOC[C@@H]2CC(F)F)cccc1[N+](=O)[O-] ZINC000286512699 219029999 /nfs/dbraw/zinc/02/99/99/219029999.db2.gz QGUMMQJMCVMOLB-LBPRGKRZSA-N 1 2 300.305 2.759 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)CN(c1[nH]c3ccccc3[nH+]1)CCO2 ZINC000357822768 285143133 /nfs/dbraw/zinc/14/31/33/285143133.db2.gz ZQFWDCLABZPXCX-UHFFFAOYSA-N 1 2 310.313 2.870 20 5 DFBDLO O=[N+]([O-])c1ccc2[nH]c(N3CCC(n4cc[nH+]c4)CC3)nc2c1 ZINC000277922909 285140391 /nfs/dbraw/zinc/14/03/91/285140391.db2.gz SYICGXJWEVOWBF-UHFFFAOYSA-N 1 2 312.333 2.509 20 5 DFBDLO Cc1occc1C[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000055052559 542453248 /nfs/dbraw/zinc/45/32/48/542453248.db2.gz VSVIDRWNGUWLSD-UHFFFAOYSA-N 1 2 318.329 2.995 20 5 DFBDLO Cc1occc1C[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000055052559 542453250 /nfs/dbraw/zinc/45/32/50/542453250.db2.gz VSVIDRWNGUWLSD-UHFFFAOYSA-N 1 2 318.329 2.995 20 5 DFBDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000492451025 299591158 /nfs/dbraw/zinc/59/11/58/299591158.db2.gz VLQRSYKDQFDSSX-AATRIKPKSA-N 1 2 304.281 2.602 20 5 DFBDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000492451026 299591202 /nfs/dbraw/zinc/59/12/02/299591202.db2.gz VLQRSYKDQFDSSX-WAYWQWQTSA-N 1 2 304.281 2.602 20 5 DFBDLO C[C@](CO)([NH2+]Cc1ccc(Cl)cn1)c1cccc([N+](=O)[O-])c1 ZINC000602963693 399641395 /nfs/dbraw/zinc/64/13/95/399641395.db2.gz YMYSLEJYHPBADT-OAHLLOKOSA-N 1 2 321.764 2.641 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(C)(F)CC1 ZINC000602992896 399652834 /nfs/dbraw/zinc/65/28/34/399652834.db2.gz JCTWGHOEKGRTMN-UHFFFAOYSA-N 1 2 309.341 2.666 20 5 DFBDLO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccon2)cccc1[N+](=O)[O-] ZINC000349254531 285818484 /nfs/dbraw/zinc/81/84/84/285818484.db2.gz YTGDFMFRGCYAEG-WDEREUQCSA-N 1 2 318.333 2.569 20 5 DFBDLO CC[C@@H](NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000491982536 543409049 /nfs/dbraw/zinc/40/90/49/543409049.db2.gz JQNQPLXQMUOGPV-FVOPLDGLSA-N 1 2 318.308 2.738 20 5 DFBDLO COc1ccc(C(=O)Nc2ccn3cc[nH+]c3c2)cc1[N+](=O)[O-] ZINC000355318816 147262459 /nfs/dbraw/zinc/26/24/59/147262459.db2.gz RJWUKACLOLMJTQ-UHFFFAOYSA-N 1 2 312.285 2.503 20 5 DFBDLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000355487796 147334388 /nfs/dbraw/zinc/33/43/88/147334388.db2.gz YQZUNTOIADBGII-UHFFFAOYSA-N 1 2 324.296 2.738 20 5 DFBDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000361138738 149037548 /nfs/dbraw/zinc/03/75/48/149037548.db2.gz CWFQSFBQFPGKJZ-FMJGHSTESA-N 1 2 318.373 2.882 20 5 DFBDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000361138738 149037550 /nfs/dbraw/zinc/03/75/50/149037550.db2.gz CWFQSFBQFPGKJZ-FMJGHSTESA-N 1 2 318.373 2.882 20 5 DFBDLO Cc1sc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000371441718 150047660 /nfs/dbraw/zinc/04/76/60/150047660.db2.gz CNWFZGFRYSVRHJ-SECBINFHSA-N 1 2 306.347 2.665 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1c1[nH+]ccn1C ZINC000373757821 150253412 /nfs/dbraw/zinc/25/34/12/150253412.db2.gz BOLQBGIVQRQXAR-AWEZNQCLSA-N 1 2 316.361 2.674 20 5 DFBDLO CCn1nccc1C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000352369533 286355742 /nfs/dbraw/zinc/35/57/42/286355742.db2.gz QSTMYGQOJIAVLE-UHFFFAOYSA-N 1 2 315.333 2.584 20 5 DFBDLO CCn1nccc1C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000352369533 286355743 /nfs/dbraw/zinc/35/57/43/286355743.db2.gz QSTMYGQOJIAVLE-UHFFFAOYSA-N 1 2 315.333 2.584 20 5 DFBDLO Cc1ccc(CS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000185135870 158045793 /nfs/dbraw/zinc/04/57/93/158045793.db2.gz GGNBXZNGNLAGGU-UHFFFAOYSA-N 1 2 320.370 2.722 20 5 DFBDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000246876233 158103126 /nfs/dbraw/zinc/10/31/26/158103126.db2.gz SWGFTQHJJFQIAS-OIISXLGYSA-N 1 2 320.389 2.672 20 5 DFBDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000246876233 158103129 /nfs/dbraw/zinc/10/31/29/158103129.db2.gz SWGFTQHJJFQIAS-OIISXLGYSA-N 1 2 320.389 2.672 20 5 DFBDLO CN(c1ncc([N+](=O)[O-])s1)C1CCN(c2cccc[nH+]2)CC1 ZINC000374487276 158775633 /nfs/dbraw/zinc/77/56/33/158775633.db2.gz GXZSLVJFIRAQMM-UHFFFAOYSA-N 1 2 319.390 2.552 20 5 DFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000279653866 287151964 /nfs/dbraw/zinc/15/19/64/287151964.db2.gz BWWBTUVYARSPRV-ZNMIVQPWSA-N 1 2 321.421 2.697 20 5 DFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000279653866 287151966 /nfs/dbraw/zinc/15/19/66/287151966.db2.gz BWWBTUVYARSPRV-ZNMIVQPWSA-N 1 2 321.421 2.697 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000067052117 425908536 /nfs/dbraw/zinc/90/85/36/425908536.db2.gz PDYBODRTVMCRID-UHFFFAOYSA-N 1 2 300.318 2.617 20 5 DFBDLO C[N@H+](CC(=O)NCC1CCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000046598875 425865564 /nfs/dbraw/zinc/86/55/64/425865564.db2.gz UONUUPPEFQTFIU-UHFFFAOYSA-N 1 2 319.405 2.723 20 5 DFBDLO C[N@@H+](CC(=O)NCC1CCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000046598875 425865565 /nfs/dbraw/zinc/86/55/65/425865565.db2.gz UONUUPPEFQTFIU-UHFFFAOYSA-N 1 2 319.405 2.723 20 5 DFBDLO CCOC(=O)[C@H](C)[N@H+](Cc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000191708046 268011403 /nfs/dbraw/zinc/01/14/03/268011403.db2.gz WDJRJMCLRCBNAX-LBPRGKRZSA-N 1 2 306.362 2.819 20 5 DFBDLO CCOC(=O)[C@H](C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000191708046 268011408 /nfs/dbraw/zinc/01/14/08/268011408.db2.gz WDJRJMCLRCBNAX-LBPRGKRZSA-N 1 2 306.362 2.819 20 5 DFBDLO Cc1cccn2cc(CNC(=O)c3c(C)cccc3[N+](=O)[O-])[nH+]c12 ZINC000194631889 268109923 /nfs/dbraw/zinc/10/99/23/268109923.db2.gz ILSIZRJXSCBMLH-UHFFFAOYSA-N 1 2 324.340 2.789 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1[nH+]ccn1CC(C)C ZINC000194753633 268114964 /nfs/dbraw/zinc/11/49/64/268114964.db2.gz GNJCZDZFQMGMJQ-UHFFFAOYSA-N 1 2 316.361 2.686 20 5 DFBDLO COc1cc(NCc2cn3c([nH+]2)CCCC3)c(F)cc1[N+](=O)[O-] ZINC000271110845 268247891 /nfs/dbraw/zinc/24/78/91/268247891.db2.gz UIOZWYFIPUZSHC-UHFFFAOYSA-N 1 2 320.324 2.887 20 5 DFBDLO C[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(C)(C)C(N)=O ZINC000295593347 268294540 /nfs/dbraw/zinc/29/45/40/268294540.db2.gz BTJJWYOYQNUSEL-UHFFFAOYSA-N 1 2 320.176 2.597 20 5 DFBDLO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(C)(C)C(N)=O ZINC000295593347 268294541 /nfs/dbraw/zinc/29/45/41/268294541.db2.gz BTJJWYOYQNUSEL-UHFFFAOYSA-N 1 2 320.176 2.597 20 5 DFBDLO Cc1cccc(N2CC[NH+](Cc3ccncc3)CC2)c1[N+](=O)[O-] ZINC000302526296 268324566 /nfs/dbraw/zinc/32/45/66/268324566.db2.gz ZZJRWSPJRMMPQU-UHFFFAOYSA-N 1 2 312.373 2.620 20 5 DFBDLO COC(=O)C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000050445044 425881793 /nfs/dbraw/zinc/88/17/93/425881793.db2.gz VHFXXVBUGHWYPZ-UHFFFAOYSA-N 1 2 312.753 2.633 20 5 DFBDLO COc1cc(C(=O)Nc2cc[nH+]cc2C)c([N+](=O)[O-])cc1OC ZINC000107288322 425987338 /nfs/dbraw/zinc/98/73/38/425987338.db2.gz DZGKTJGMXKPXER-UHFFFAOYSA-N 1 2 317.301 2.568 20 5 DFBDLO COC(=O)C1([N@H+](C)Cc2cccc([N+](=O)[O-])c2C)CCCC1 ZINC000159349397 425958761 /nfs/dbraw/zinc/95/87/61/425958761.db2.gz VNDYBBJGOWIIDD-UHFFFAOYSA-N 1 2 306.362 2.821 20 5 DFBDLO COC(=O)C1([N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)CCCC1 ZINC000159349397 425958764 /nfs/dbraw/zinc/95/87/64/425958764.db2.gz VNDYBBJGOWIIDD-UHFFFAOYSA-N 1 2 306.362 2.821 20 5 DFBDLO Cc1c([C@H](C)[NH2+][C@H]2CCCn3ncnc32)cccc1[N+](=O)[O-] ZINC000164720262 426117209 /nfs/dbraw/zinc/11/72/09/426117209.db2.gz JFIXQLNELCCIEG-AAEUAGOBSA-N 1 2 301.350 2.680 20 5 DFBDLO COc1ccc(NC(=O)c2ccc3[nH+]ccn3c2)c([N+](=O)[O-])c1 ZINC000170859475 426155134 /nfs/dbraw/zinc/15/51/34/426155134.db2.gz FSMSLOANSUQRBU-UHFFFAOYSA-N 1 2 312.285 2.503 20 5 DFBDLO CCO[C@@H](C)c1noc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000173449508 426240594 /nfs/dbraw/zinc/24/05/94/426240594.db2.gz MBEXUVUPOKZGSF-QWRGUYRKSA-N 1 2 320.349 2.926 20 5 DFBDLO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090224347 426325161 /nfs/dbraw/zinc/32/51/61/426325161.db2.gz PVMJWYGAHBICCK-QMTHXVAHSA-N 1 2 301.350 2.680 20 5 DFBDLO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC(C)(C)O1 ZINC000177023963 426434950 /nfs/dbraw/zinc/43/49/50/426434950.db2.gz YHHJCWACTVRROZ-SNVBAGLBSA-N 1 2 305.334 2.735 20 5 DFBDLO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC(C)(C)O1 ZINC000177023963 426434955 /nfs/dbraw/zinc/43/49/55/426434955.db2.gz YHHJCWACTVRROZ-SNVBAGLBSA-N 1 2 305.334 2.735 20 5 DFBDLO O=C(NCCCCNc1cccc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000264213215 426518414 /nfs/dbraw/zinc/51/84/14/426518414.db2.gz WINXFEVJXCWBPC-UHFFFAOYSA-N 1 2 314.345 2.612 20 5 DFBDLO Cc1c(C[N@@H+]2CCO[C@@H](c3nccs3)C2)cccc1[N+](=O)[O-] ZINC000195521791 426535868 /nfs/dbraw/zinc/53/58/68/426535868.db2.gz YYPCMAJRZUGNOR-CQSZACIVSA-N 1 2 319.386 2.933 20 5 DFBDLO Cc1c(C[N@H+]2CCO[C@@H](c3nccs3)C2)cccc1[N+](=O)[O-] ZINC000195521791 426535874 /nfs/dbraw/zinc/53/58/74/426535874.db2.gz YYPCMAJRZUGNOR-CQSZACIVSA-N 1 2 319.386 2.933 20 5 DFBDLO C[C@@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000177538743 426492876 /nfs/dbraw/zinc/49/28/76/426492876.db2.gz PHYMDKCNEOHETM-ZYHUDNBSSA-N 1 2 320.374 2.576 20 5 DFBDLO O=C(NCCCCNc1cccc[nH+]1)c1csc([N+](=O)[O-])c1 ZINC000264543680 426570687 /nfs/dbraw/zinc/57/06/87/426570687.db2.gz OUOFJPJFSFSCAG-UHFFFAOYSA-N 1 2 320.374 2.673 20 5 DFBDLO CCc1ccc(C(=O)NCc2ccn3cc[nH+]c3c2)cc1[N+](=O)[O-] ZINC000178348955 426612048 /nfs/dbraw/zinc/61/20/48/426612048.db2.gz ALTBXDJMMJZUGB-UHFFFAOYSA-N 1 2 324.340 2.735 20 5 DFBDLO COC(=O)[C@H](C)[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000280758891 426649958 /nfs/dbraw/zinc/64/99/58/426649958.db2.gz FGEGGEZKWJVOCP-NSHDSACASA-N 1 2 318.329 2.848 20 5 DFBDLO COC(=O)[C@H](C)[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000280758891 426649962 /nfs/dbraw/zinc/64/99/62/426649962.db2.gz FGEGGEZKWJVOCP-NSHDSACASA-N 1 2 318.329 2.848 20 5 DFBDLO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1nnc2n1CCCC2 ZINC000178660189 426670971 /nfs/dbraw/zinc/67/09/71/426670971.db2.gz AGQRBQPKULJCLK-VXGBXAGGSA-N 1 2 315.377 2.934 20 5 DFBDLO CN(C)c1cccnc1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000289725220 426673661 /nfs/dbraw/zinc/67/36/61/426673661.db2.gz GJMGISXASCBMNS-UHFFFAOYSA-N 1 2 320.780 2.999 20 5 DFBDLO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000178434681 426628310 /nfs/dbraw/zinc/62/83/10/426628310.db2.gz SRXGKIQNGIEZRF-QFIPXVFZSA-N 1 2 318.398 2.964 20 5 DFBDLO C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000178434681 426628314 /nfs/dbraw/zinc/62/83/14/426628314.db2.gz SRXGKIQNGIEZRF-QFIPXVFZSA-N 1 2 318.398 2.964 20 5 DFBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1c1ncc([N+](=O)[O-])s1 ZINC000281757139 426760085 /nfs/dbraw/zinc/76/00/85/426760085.db2.gz CJZQWMAYUQFDQY-JTQLQIEISA-N 1 2 307.379 2.999 20 5 DFBDLO O=[N+]([O-])c1ccc(Br)cc1N1CCn2c[nH+]cc2C1 ZINC000290679048 426818639 /nfs/dbraw/zinc/81/86/39/426818639.db2.gz LFHBYHSVEYOWEY-UHFFFAOYSA-N 1 2 323.150 2.574 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCS[C@H](C)[C@H]1C ZINC000246486641 426839647 /nfs/dbraw/zinc/83/96/47/426839647.db2.gz YVAYSKYRGLQCRF-VXGBXAGGSA-N 1 2 323.418 2.668 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCS[C@H](C)[C@H]1C ZINC000246486641 426839649 /nfs/dbraw/zinc/83/96/49/426839649.db2.gz YVAYSKYRGLQCRF-VXGBXAGGSA-N 1 2 323.418 2.668 20 5 DFBDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000246514611 426840175 /nfs/dbraw/zinc/84/01/75/426840175.db2.gz KOYTZIGZZYKKPM-VNQPRFMTSA-N 1 2 324.352 2.502 20 5 DFBDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000246514611 426840185 /nfs/dbraw/zinc/84/01/85/426840185.db2.gz KOYTZIGZZYKKPM-VNQPRFMTSA-N 1 2 324.352 2.502 20 5 DFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(C2CC2)no1 ZINC000282435212 426912394 /nfs/dbraw/zinc/91/23/94/426912394.db2.gz KLSWLOVQMOEFDF-UHFFFAOYSA-N 1 2 302.334 2.530 20 5 DFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(C2CC2)no1 ZINC000282435212 426912402 /nfs/dbraw/zinc/91/24/02/426912402.db2.gz KLSWLOVQMOEFDF-UHFFFAOYSA-N 1 2 302.334 2.530 20 5 DFBDLO COC(=O)C[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCCC1 ZINC000268544604 427048974 /nfs/dbraw/zinc/04/89/74/427048974.db2.gz LNOHTTUNESTMNV-UHFFFAOYSA-N 1 2 322.361 2.521 20 5 DFBDLO COC(=O)C[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCCC1 ZINC000268544604 427048979 /nfs/dbraw/zinc/04/89/79/427048979.db2.gz LNOHTTUNESTMNV-UHFFFAOYSA-N 1 2 322.361 2.521 20 5 DFBDLO CC(C)c1[nH+]c2c(n1C)CCN(c1ccc(N)cc1[N+](=O)[O-])C2 ZINC000283737243 427065861 /nfs/dbraw/zinc/06/58/61/427065861.db2.gz IQMVRBURGBVMDF-UHFFFAOYSA-N 1 2 315.377 2.597 20 5 DFBDLO O=[N+]([O-])c1cnc(Nc2ccc([NH+]3CCC(O)CC3)cc2)s1 ZINC000190316880 427073241 /nfs/dbraw/zinc/07/32/41/427073241.db2.gz ZDAWZVORFBNFPM-UHFFFAOYSA-N 1 2 320.374 2.756 20 5 DFBDLO O=[N+]([O-])c1cnc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)s1 ZINC000190321339 427073433 /nfs/dbraw/zinc/07/34/33/427073433.db2.gz HOIWFEIARUTASR-UHFFFAOYSA-N 1 2 319.321 2.988 20 5 DFBDLO CC(C)([NH2+]Cc1nnc2n1CCCC2)c1ccccc1[N+](=O)[O-] ZINC000292081814 427082846 /nfs/dbraw/zinc/08/28/46/427082846.db2.gz FTIAHWMSYWDQTM-UHFFFAOYSA-N 1 2 315.377 2.548 20 5 DFBDLO Cc1c(C(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)cccc1[N+](=O)[O-] ZINC000276782931 427118120 /nfs/dbraw/zinc/11/81/20/427118120.db2.gz ZOYBBVKZJYPRTJ-CYBMUJFWSA-N 1 2 302.334 2.753 20 5 DFBDLO CC(C)c1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000249530230 427125252 /nfs/dbraw/zinc/12/52/52/427125252.db2.gz AUYFRKUTVPEJCK-BLLLJJGKSA-N 1 2 319.405 2.804 20 5 DFBDLO CC(C)c1ccc(C[N@H+]2CC[C@H](C)C[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000249530230 427125254 /nfs/dbraw/zinc/12/52/54/427125254.db2.gz AUYFRKUTVPEJCK-BLLLJJGKSA-N 1 2 319.405 2.804 20 5 DFBDLO COCC1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000284262386 427168568 /nfs/dbraw/zinc/16/85/68/427168568.db2.gz RWXQTBXCHHOFCK-UHFFFAOYSA-N 1 2 300.305 2.731 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOCC12CCCC2 ZINC000270573182 271312728 /nfs/dbraw/zinc/31/27/28/271312728.db2.gz BFBLMOKLEHGUPT-UHFFFAOYSA-N 1 2 306.362 2.748 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOCC12CCCC2 ZINC000270573182 271312730 /nfs/dbraw/zinc/31/27/30/271312730.db2.gz BFBLMOKLEHGUPT-UHFFFAOYSA-N 1 2 306.362 2.748 20 5 DFBDLO C[N@H+](CCc1ccccn1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000284347606 427186131 /nfs/dbraw/zinc/18/61/31/427186131.db2.gz YIDOYZPPNINZAB-UHFFFAOYSA-N 1 2 307.300 2.943 20 5 DFBDLO C[N@@H+](CCc1ccccn1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000284347606 427186137 /nfs/dbraw/zinc/18/61/37/427186137.db2.gz YIDOYZPPNINZAB-UHFFFAOYSA-N 1 2 307.300 2.943 20 5 DFBDLO O=[N+]([O-])c1cc(Cl)cnc1NCc1cn2c([nH+]1)CCCC2 ZINC000269415310 427191965 /nfs/dbraw/zinc/19/19/65/427191965.db2.gz XZGQWTZBJWVIAJ-UHFFFAOYSA-N 1 2 307.741 2.788 20 5 DFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nccn1C(F)F ZINC000285465976 427239026 /nfs/dbraw/zinc/23/90/26/427239026.db2.gz ZRSFAUOJBXTLML-UHFFFAOYSA-N 1 2 310.304 2.861 20 5 DFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nccn1C(F)F ZINC000285465976 427239032 /nfs/dbraw/zinc/23/90/32/427239032.db2.gz ZRSFAUOJBXTLML-UHFFFAOYSA-N 1 2 310.304 2.861 20 5 DFBDLO COc1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000255166380 427246831 /nfs/dbraw/zinc/24/68/31/427246831.db2.gz UQYVIJHCFGNWMX-CZUORRHYSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000255166380 427246835 /nfs/dbraw/zinc/24/68/35/427246835.db2.gz UQYVIJHCFGNWMX-CZUORRHYSA-N 1 2 306.362 2.747 20 5 DFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nnc(C(C)(C)C)[nH]1 ZINC000293384940 427310335 /nfs/dbraw/zinc/31/03/35/427310335.db2.gz PYEAHYXDQVGSMU-UHFFFAOYSA-N 1 2 317.393 2.685 20 5 DFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nnc(C(C)(C)C)[nH]1 ZINC000293384940 427310341 /nfs/dbraw/zinc/31/03/41/427310341.db2.gz PYEAHYXDQVGSMU-UHFFFAOYSA-N 1 2 317.393 2.685 20 5 DFBDLO COC(=O)c1cnoc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000285746646 427325081 /nfs/dbraw/zinc/32/50/81/427325081.db2.gz VIIVIDHSKTWIPT-SNVBAGLBSA-N 1 2 319.317 2.529 20 5 DFBDLO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)s1 ZINC000331040010 427330903 /nfs/dbraw/zinc/33/09/03/427330903.db2.gz BTOMKCLXJLECIQ-VIFPVBQESA-N 1 2 309.395 2.595 20 5 DFBDLO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)s1 ZINC000331040010 427330907 /nfs/dbraw/zinc/33/09/07/427330907.db2.gz BTOMKCLXJLECIQ-VIFPVBQESA-N 1 2 309.395 2.595 20 5 DFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH+]2CCC(O)CC2)c1 ZINC000293462268 427331263 /nfs/dbraw/zinc/33/12/63/427331263.db2.gz LHHUOTXMZKLWEV-UHFFFAOYSA-N 1 2 304.268 2.570 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(N[C@H]2CCN(c3cccc[nH+]3)C2)c(F)c1 ZINC000269879937 427297131 /nfs/dbraw/zinc/29/71/31/427297131.db2.gz RLUQRUWRXFSUJO-JTQLQIEISA-N 1 2 320.299 2.959 20 5 DFBDLO Cc1cc(N2CCOC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000278067331 427398382 /nfs/dbraw/zinc/39/83/82/427398382.db2.gz SRNKYRSFEXSEPM-GFCCVEGCSA-N 1 2 314.345 2.585 20 5 DFBDLO COc1cc(C[N@@H+]2CCSC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000184220064 427419309 /nfs/dbraw/zinc/41/93/09/427419309.db2.gz UHAYRTIMEYTMKD-VIFPVBQESA-N 1 2 300.355 2.680 20 5 DFBDLO COc1cc(C[N@H+]2CCSC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000184220064 427419316 /nfs/dbraw/zinc/41/93/16/427419316.db2.gz UHAYRTIMEYTMKD-VIFPVBQESA-N 1 2 300.355 2.680 20 5 DFBDLO CCOc1cc(C[N@@H+]2CCOC[C@@]2(C)CC)ccc1[N+](=O)[O-] ZINC000331149221 427356567 /nfs/dbraw/zinc/35/65/67/427356567.db2.gz HWFMKHKMALUZAU-MRXNPFEDSA-N 1 2 308.378 2.994 20 5 DFBDLO CCOc1cc(C[N@H+]2CCOC[C@@]2(C)CC)ccc1[N+](=O)[O-] ZINC000331149221 427356574 /nfs/dbraw/zinc/35/65/74/427356574.db2.gz HWFMKHKMALUZAU-MRXNPFEDSA-N 1 2 308.378 2.994 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000277924873 427361774 /nfs/dbraw/zinc/36/17/74/427361774.db2.gz FKZNDTXPWHBQHW-UHFFFAOYSA-N 1 2 314.345 2.646 20 5 DFBDLO CCOc1cc(C[N@@H+]2CCO[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000331192561 427367071 /nfs/dbraw/zinc/36/70/71/427367071.db2.gz WMPKUAXXUKIDQH-INIZCTEOSA-N 1 2 308.378 2.850 20 5 DFBDLO CCOc1cc(C[N@H+]2CCO[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000331192561 427367079 /nfs/dbraw/zinc/36/70/79/427367079.db2.gz WMPKUAXXUKIDQH-INIZCTEOSA-N 1 2 308.378 2.850 20 5 DFBDLO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccc(C)o1 ZINC000184653175 427512489 /nfs/dbraw/zinc/51/24/89/427512489.db2.gz CETAUOZDKGADQI-CQSZACIVSA-N 1 2 320.345 2.982 20 5 DFBDLO CO[C@@H](C)CN(C)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000286403911 427517314 /nfs/dbraw/zinc/51/73/14/427517314.db2.gz NMNZMUHZIQICJN-LBPRGKRZSA-N 1 2 316.361 2.831 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000271435927 427536073 /nfs/dbraw/zinc/53/60/73/427536073.db2.gz WULGQBHTIIANGA-JTQLQIEISA-N 1 2 305.309 2.988 20 5 DFBDLO C[C@H]1CCCC[C@H]1OCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332440368 427612401 /nfs/dbraw/zinc/61/24/01/427612401.db2.gz BTKWGCRLBPHCBD-SUMWQHHRSA-N 1 2 319.405 2.943 20 5 DFBDLO C[C@H]1CCCC[C@H]1OCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332440368 427612405 /nfs/dbraw/zinc/61/24/05/427612405.db2.gz BTKWGCRLBPHCBD-SUMWQHHRSA-N 1 2 319.405 2.943 20 5 DFBDLO C[C@](CO)([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000339003627 427619402 /nfs/dbraw/zinc/61/94/02/427619402.db2.gz KJEJNDYWCZGOMR-MRXNPFEDSA-N 1 2 308.378 2.721 20 5 DFBDLO Cc1cc(NCCCCCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000192579234 427566125 /nfs/dbraw/zinc/56/61/25/427566125.db2.gz QUMPGNYFSVFCBW-UHFFFAOYSA-N 1 2 316.361 2.935 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](Cc2cccnc2)CC1 ZINC000263783044 427570830 /nfs/dbraw/zinc/57/08/30/427570830.db2.gz WDQIOMBTUODUDV-UHFFFAOYSA-N 1 2 312.373 2.620 20 5 DFBDLO Cc1cc(=O)[nH]c([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000192727844 427595078 /nfs/dbraw/zinc/59/50/78/427595078.db2.gz QZSNVCUAXSZMDZ-MNOVXSKESA-N 1 2 302.334 2.811 20 5 DFBDLO Cc1cnc([C@H](C)[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)o1 ZINC000332423946 427610244 /nfs/dbraw/zinc/61/02/44/427610244.db2.gz SMBQOTAIWHCEOH-ZDUSSCGKSA-N 1 2 316.361 2.774 20 5 DFBDLO O=[N+]([O-])c1ccc(Cl)cc1SCC[NH+]1CCOCC1 ZINC000279311641 427634299 /nfs/dbraw/zinc/63/42/99/427634299.db2.gz DVJMTUMCCIJWFI-UHFFFAOYSA-N 1 2 302.783 2.673 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000339094866 427671398 /nfs/dbraw/zinc/67/13/98/427671398.db2.gz YILICPMKJYQFLX-OAHLLOKOSA-N 1 2 306.362 2.691 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000339094866 427671405 /nfs/dbraw/zinc/67/14/05/427671405.db2.gz YILICPMKJYQFLX-OAHLLOKOSA-N 1 2 306.362 2.691 20 5 DFBDLO Cn1cc[nH+]c1[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000343264450 272108430 /nfs/dbraw/zinc/10/84/30/272108430.db2.gz KSIFXCUJAZWSQH-NSHDSACASA-N 1 2 307.741 2.940 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)c1 ZINC000344588619 272342504 /nfs/dbraw/zinc/34/25/04/272342504.db2.gz IUTZHFVPMLLHQH-CQSZACIVSA-N 1 2 314.345 2.518 20 5 DFBDLO C[C@@H](CNc1ccc(Cl)cc1[N+](=O)[O-])[N@@H+]1CCOC[C@H]1C ZINC000301221213 427782332 /nfs/dbraw/zinc/78/23/32/427782332.db2.gz BWVCBGLRHOKKTH-WDEREUQCSA-N 1 2 313.785 2.769 20 5 DFBDLO C[C@@H](CNc1ccc(Cl)cc1[N+](=O)[O-])[N@H+]1CCOC[C@H]1C ZINC000301221213 427782335 /nfs/dbraw/zinc/78/23/35/427782335.db2.gz BWVCBGLRHOKKTH-WDEREUQCSA-N 1 2 313.785 2.769 20 5 DFBDLO Cc1ccc(CCNc2nc3sccn3c2[N+](=O)[O-])c[nH+]1 ZINC000301290892 427786742 /nfs/dbraw/zinc/78/67/42/427786742.db2.gz WPQQCIBPZHLCLA-UHFFFAOYSA-N 1 2 303.347 2.662 20 5 DFBDLO Cc1ncc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000299116736 427752611 /nfs/dbraw/zinc/75/26/11/427752611.db2.gz DUCJSNYYRFWBMK-UHFFFAOYSA-N 1 2 318.402 2.682 20 5 DFBDLO O=[N+]([O-])c1ccc(NCc2[nH+]ccn2Cc2ccccc2)nc1 ZINC000301453378 427797265 /nfs/dbraw/zinc/79/72/65/427797265.db2.gz GKNHCGYBPPGALQ-UHFFFAOYSA-N 1 2 309.329 2.847 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC(F)(F)C1 ZINC000345836750 272544453 /nfs/dbraw/zinc/54/44/53/272544453.db2.gz OCTPWPDWYQYZHK-UHFFFAOYSA-N 1 2 313.304 2.573 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC(F)(F)C1 ZINC000345836750 272544455 /nfs/dbraw/zinc/54/44/55/272544455.db2.gz OCTPWPDWYQYZHK-UHFFFAOYSA-N 1 2 313.304 2.573 20 5 DFBDLO Cc1cc(N[C@@H]2CCOC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301765750 427822220 /nfs/dbraw/zinc/82/22/20/427822220.db2.gz GUBCEJOVQCTYBO-GFCCVEGCSA-N 1 2 300.318 2.561 20 5 DFBDLO Cc1cc(N[C@@H]2CCO[C@@H]2C)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301867905 427831942 /nfs/dbraw/zinc/83/19/42/427831942.db2.gz DUOYMOFXPNTDHZ-BXUZGUMPSA-N 1 2 314.345 2.950 20 5 DFBDLO CCOc1cc(N2CCC[C@H]2Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000301946539 427844063 /nfs/dbraw/zinc/84/40/63/427844063.db2.gz CGMLVAIJDDHYLD-AWEZNQCLSA-N 1 2 316.361 2.859 20 5 DFBDLO CC[N@H+](Cc1nc(Cc2ccccc2[N+](=O)[O-])no1)C1CC1 ZINC000355689084 427850161 /nfs/dbraw/zinc/85/01/61/427850161.db2.gz KDHJWMNDHJFLFM-UHFFFAOYSA-N 1 2 302.334 2.553 20 5 DFBDLO CC[N@@H+](Cc1nc(Cc2ccccc2[N+](=O)[O-])no1)C1CC1 ZINC000355689084 427850170 /nfs/dbraw/zinc/85/01/70/427850170.db2.gz KDHJWMNDHJFLFM-UHFFFAOYSA-N 1 2 302.334 2.553 20 5 DFBDLO CC(=O)c1cc(NCc2ccc[nH+]c2N(C)C)ccc1[N+](=O)[O-] ZINC000339976631 427892187 /nfs/dbraw/zinc/89/21/87/427892187.db2.gz XOCDAHWRBJXYQT-UHFFFAOYSA-N 1 2 314.345 2.871 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)CN(c1cc(NC3CC3)[nH+]cn1)CC2 ZINC000413178423 427983545 /nfs/dbraw/zinc/98/35/45/427983545.db2.gz BUWKRSXMKCZMTN-UHFFFAOYSA-N 1 2 311.345 2.522 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)CN(c1cc(NC3CC3)nc[nH+]1)CC2 ZINC000413178423 427983550 /nfs/dbraw/zinc/98/35/50/427983550.db2.gz BUWKRSXMKCZMTN-UHFFFAOYSA-N 1 2 311.345 2.522 20 5 DFBDLO CC(=O)c1cc(NCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000341380149 428051867 /nfs/dbraw/zinc/05/18/67/428051867.db2.gz OOMKAXUBPABVBO-UHFFFAOYSA-N 1 2 300.318 2.716 20 5 DFBDLO C[S@](=O)C1(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000413278059 428010443 /nfs/dbraw/zinc/01/04/43/428010443.db2.gz YIGSDDYEDXHHRQ-QFIPXVFZSA-N 1 2 319.386 2.856 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCOCC(F)(F)C3)c2c1 ZINC000413301512 428013574 /nfs/dbraw/zinc/01/35/74/428013574.db2.gz PATBDOUZAFKHRD-UHFFFAOYSA-N 1 2 309.272 2.615 20 5 DFBDLO C[C@H](Cc1nc(Cc2ccccc2[N+](=O)[O-])no1)n1cc[nH+]c1 ZINC000351410924 428086844 /nfs/dbraw/zinc/08/68/44/428086844.db2.gz LJUIIPANOBMNLI-LLVKDONJSA-N 1 2 313.317 2.569 20 5 DFBDLO Cn1c[nH+]c2c1CCN(Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000370071746 428124668 /nfs/dbraw/zinc/12/46/68/428124668.db2.gz IQJGGQLKBCUUBJ-UHFFFAOYSA-N 1 2 306.753 2.540 20 5 DFBDLO Cc1sc(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000341718860 428168374 /nfs/dbraw/zinc/16/83/74/428168374.db2.gz LFTNEEQVQNVMJL-LBPRGKRZSA-N 1 2 320.374 2.579 20 5 DFBDLO Cc1nc(CC[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cs1 ZINC000352621448 428173927 /nfs/dbraw/zinc/17/39/27/428173927.db2.gz PLNYPNZJTMYTPE-UHFFFAOYSA-N 1 2 319.386 2.797 20 5 DFBDLO Cc1nc(CC[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cs1 ZINC000352621448 428173931 /nfs/dbraw/zinc/17/39/31/428173931.db2.gz PLNYPNZJTMYTPE-UHFFFAOYSA-N 1 2 319.386 2.797 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cccc(O)c1)CCO2 ZINC000356519357 428214679 /nfs/dbraw/zinc/21/46/79/428214679.db2.gz HKDFGNWGWKPVMT-UHFFFAOYSA-N 1 2 300.314 2.695 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cccc(O)c1)CCO2 ZINC000356519357 428214683 /nfs/dbraw/zinc/21/46/83/428214683.db2.gz HKDFGNWGWKPVMT-UHFFFAOYSA-N 1 2 300.314 2.695 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccc3c[nH]nc3c1)CCO2 ZINC000356521580 428215712 /nfs/dbraw/zinc/21/57/12/428215712.db2.gz HPUADFWQQHHNEV-UHFFFAOYSA-N 1 2 324.340 2.866 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccc3c[nH]nc3c1)CCO2 ZINC000356521580 428215718 /nfs/dbraw/zinc/21/57/18/428215718.db2.gz HPUADFWQQHHNEV-UHFFFAOYSA-N 1 2 324.340 2.866 20 5 DFBDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000352713397 428216303 /nfs/dbraw/zinc/21/63/03/428216303.db2.gz DIKQMXIAIYCHRZ-HNNXBMFYSA-N 1 2 323.368 2.567 20 5 DFBDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000352713397 428216307 /nfs/dbraw/zinc/21/63/07/428216307.db2.gz DIKQMXIAIYCHRZ-HNNXBMFYSA-N 1 2 323.368 2.567 20 5 DFBDLO Cn1ncc2c1nc[nH+]c2SCc1ccc([N+](=O)[O-])cc1F ZINC000356598578 428248166 /nfs/dbraw/zinc/24/81/66/428248166.db2.gz UMNZNZNRSAFLPN-UHFFFAOYSA-N 1 2 319.321 2.703 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000356831546 428328701 /nfs/dbraw/zinc/32/87/01/428328701.db2.gz XSQUSVFCRKHSPV-OAHLLOKOSA-N 1 2 312.373 2.980 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000356831546 428328704 /nfs/dbraw/zinc/32/87/04/428328704.db2.gz XSQUSVFCRKHSPV-OAHLLOKOSA-N 1 2 312.373 2.980 20 5 DFBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCOc1cccc(F)c1)CC2 ZINC000353003440 428346107 /nfs/dbraw/zinc/34/61/07/428346107.db2.gz ZLJITQOROVEZNR-UHFFFAOYSA-N 1 2 317.320 2.566 20 5 DFBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCOc1cccc(F)c1)CC2 ZINC000353003440 428346112 /nfs/dbraw/zinc/34/61/12/428346112.db2.gz ZLJITQOROVEZNR-UHFFFAOYSA-N 1 2 317.320 2.566 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000371060022 428349754 /nfs/dbraw/zinc/34/97/54/428349754.db2.gz UQKLHKAJFSXDKN-ZDUSSCGKSA-N 1 2 304.325 2.805 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000371060022 428349759 /nfs/dbraw/zinc/34/97/59/428349759.db2.gz UQKLHKAJFSXDKN-ZDUSSCGKSA-N 1 2 304.325 2.805 20 5 DFBDLO Cc1cc([N+](=O)[O-])cnc1NCc1cccc(-c2[nH+]ccn2C)c1 ZINC000378411532 428390459 /nfs/dbraw/zinc/39/04/59/428390459.db2.gz MJOKPJQWQMRASN-UHFFFAOYSA-N 1 2 323.356 3.311 20 5 DFBDLO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378516849 428420311 /nfs/dbraw/zinc/42/03/11/428420311.db2.gz OZVLKSPIUKDLIW-GFCCVEGCSA-N 1 2 320.736 2.949 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000407990706 428587380 /nfs/dbraw/zinc/58/73/80/428587380.db2.gz QJPZTDSFGNJWEJ-UHFFFAOYSA-N 1 2 306.362 2.693 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000407990706 428587390 /nfs/dbraw/zinc/58/73/90/428587390.db2.gz QJPZTDSFGNJWEJ-UHFFFAOYSA-N 1 2 306.362 2.693 20 5 DFBDLO C[C@@H]1[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000407993908 428589951 /nfs/dbraw/zinc/58/99/51/428589951.db2.gz WAKIXMYQSXNNFQ-LBPRGKRZSA-N 1 2 306.362 2.691 20 5 DFBDLO C[C@@H]1[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000407993908 428589954 /nfs/dbraw/zinc/58/99/54/428589954.db2.gz WAKIXMYQSXNNFQ-LBPRGKRZSA-N 1 2 306.362 2.691 20 5 DFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000361403991 428562124 /nfs/dbraw/zinc/56/21/24/428562124.db2.gz QFNBSVREYPMFCM-SNVBAGLBSA-N 1 2 320.723 2.698 20 5 DFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000361403991 428562129 /nfs/dbraw/zinc/56/21/29/428562129.db2.gz QFNBSVREYPMFCM-SNVBAGLBSA-N 1 2 320.723 2.698 20 5 DFBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3ccc(Cl)cn3)C2)c1 ZINC000373583906 428610762 /nfs/dbraw/zinc/61/07/62/428610762.db2.gz RMUGYBZUZIBNQC-CYBMUJFWSA-N 1 2 321.768 2.677 20 5 DFBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3ccc(Cl)cn3)C2)c1 ZINC000373583906 428610765 /nfs/dbraw/zinc/61/07/65/428610765.db2.gz RMUGYBZUZIBNQC-CYBMUJFWSA-N 1 2 321.768 2.677 20 5 DFBDLO CC(C)N1C(=O)C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000362355052 428716586 /nfs/dbraw/zinc/71/65/86/428716586.db2.gz VXLYWJHDKMMUHD-ZDUSSCGKSA-N 1 2 319.405 2.987 20 5 DFBDLO CC(C)N1C(=O)C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000362355052 428716590 /nfs/dbraw/zinc/71/65/90/428716590.db2.gz VXLYWJHDKMMUHD-ZDUSSCGKSA-N 1 2 319.405 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ZINC000411250752 428766615 /nfs/dbraw/zinc/76/66/15/428766615.db2.gz GSQSBKXRPYLCGS-UHFFFAOYSA-N 1 2 313.304 2.653 20 5 DFBDLO O=C(CC[N@@H+](CC(F)F)C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411250752 428766621 /nfs/dbraw/zinc/76/66/21/428766621.db2.gz GSQSBKXRPYLCGS-UHFFFAOYSA-N 1 2 313.304 2.653 20 5 DFBDLO COc1cc(C)[nH+]c(COc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000359000122 428769100 /nfs/dbraw/zinc/76/91/00/428769100.db2.gz XXAIJDWDHZQODB-UHFFFAOYSA-N 1 2 304.302 2.894 20 5 DFBDLO CC[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H](C)[S@@]1=O ZINC000348555064 428785558 /nfs/dbraw/zinc/78/55/58/428785558.db2.gz ZGMOLQRICSNZFR-GJPHFTDBSA-N 1 2 322.430 2.839 20 5 DFBDLO CC[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H](C)[S@@]1=O ZINC000348555064 428785565 /nfs/dbraw/zinc/78/55/65/428785565.db2.gz ZGMOLQRICSNZFR-GJPHFTDBSA-N 1 2 322.430 2.839 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCO[C@H](CF)C2)c(Cl)c1 ZINC000411859984 428871596 /nfs/dbraw/zinc/87/15/96/428871596.db2.gz 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ROCCTSKZRMRAIN-GOEBONIOSA-N 1 2 324.352 2.504 20 5 DFBDLO Cc1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000155482525 295319753 /nfs/dbraw/zinc/31/97/53/295319753.db2.gz BDVMRWXIFLBUFT-UHFFFAOYSA-N 1 2 314.345 2.878 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000156317299 295334224 /nfs/dbraw/zinc/33/42/24/295334224.db2.gz FPQFHRLIDFJJFL-CYBMUJFWSA-N 1 2 317.320 2.782 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000156317299 295334227 /nfs/dbraw/zinc/33/42/27/295334227.db2.gz FPQFHRLIDFJJFL-CYBMUJFWSA-N 1 2 317.320 2.782 20 5 DFBDLO C[C@@H]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000444462489 297237151 /nfs/dbraw/zinc/23/71/51/297237151.db2.gz DCUVSSYSFOLNBQ-DGCLKSJQSA-N 1 2 314.345 2.699 20 5 DFBDLO Cc1cc(NC(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)ccc1[N+](=O)[O-] ZINC000455082206 298296562 /nfs/dbraw/zinc/29/65/62/298296562.db2.gz ITTWHCNIKWFPNL-JQWIXIFHSA-N 1 2 315.333 2.927 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000455189245 298315814 /nfs/dbraw/zinc/31/58/14/298315814.db2.gz NLPKQHJJPLGEJG-MFKMUULPSA-N 1 2 315.333 2.927 20 5 DFBDLO C[C@@H]1C[C@@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000455328686 298339755 /nfs/dbraw/zinc/33/97/55/298339755.db2.gz IOPALHBWJQLOFV-PRHODGIISA-N 1 2 319.296 2.758 20 5 DFBDLO Cc1cc(NC(=O)NCc2cccc([N+](=O)[O-])c2C)c(C)c[nH+]1 ZINC000516698630 300356493 /nfs/dbraw/zinc/35/64/93/300356493.db2.gz WUMSIDBTEPVAOE-UHFFFAOYSA-N 1 2 314.345 2.659 20 5 DFBDLO Cc1cc(C)c2c(c1)C[N@H+](Cc1c([N+](=O)[O-])ncn1C)CC2 ZINC000362606392 301207705 /nfs/dbraw/zinc/20/77/05/301207705.db2.gz NZCUYEMXEVYGLF-UHFFFAOYSA-N 1 2 300.362 2.503 20 5 DFBDLO Cc1cc(C)c2c(c1)C[N@@H+](Cc1c([N+](=O)[O-])ncn1C)CC2 ZINC000362606392 301207709 /nfs/dbraw/zinc/20/77/09/301207709.db2.gz NZCUYEMXEVYGLF-UHFFFAOYSA-N 1 2 300.362 2.503 20 5 DFBDLO Cc1nc2[nH]ccc2c(N2CCc3c(cccc3[N+](=O)[O-])C2)[nH+]1 ZINC000533796780 301212987 /nfs/dbraw/zinc/21/29/87/301212987.db2.gz APHKZLLYIRUOAG-UHFFFAOYSA-N 1 2 309.329 2.737 20 5 DFBDLO C[N@@H+]1CCO[C@H](CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000567767620 302387883 /nfs/dbraw/zinc/38/78/83/302387883.db2.gz RTUXUABGPMPBFD-JTQLQIEISA-N 1 2 302.783 2.671 20 5 DFBDLO C[N@H+]1CCO[C@H](CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000567767620 302387884 /nfs/dbraw/zinc/38/78/84/302387884.db2.gz RTUXUABGPMPBFD-JTQLQIEISA-N 1 2 302.783 2.671 20 5 DFBDLO C[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)[NH+]1CCCCCC1 ZINC000183897586 316153808 /nfs/dbraw/zinc/15/38/08/316153808.db2.gz UGOIPCCJOUEDOJ-LLVKDONJSA-N 1 2 307.350 2.503 20 5 DFBDLO COc1cc(C[NH2+][C@@H](C)c2nccs2)c([N+](=O)[O-])cc1OC ZINC000414498031 316610502 /nfs/dbraw/zinc/61/05/02/316610502.db2.gz VNTZXCVGWKDIOS-VIFPVBQESA-N 1 2 323.374 2.919 20 5 DFBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1c1ccc([N+](=O)[O-])nc1 ZINC000450498123 317098704 /nfs/dbraw/zinc/09/87/04/317098704.db2.gz FKNYNIURTXSVCZ-ZDUSSCGKSA-N 1 2 301.350 2.938 20 5 DFBDLO O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cccc2[nH+]ccn21 ZINC000491935081 317615671 /nfs/dbraw/zinc/61/56/71/317615671.db2.gz XJSZEFPXWCBOGX-CMDGGOBGSA-N 1 2 308.297 2.894 20 5 DFBDLO C[C@@H](C(=O)NC(C)(C)c1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC000566364511 317945477 /nfs/dbraw/zinc/94/54/77/317945477.db2.gz SXLYLTCFLLGOQT-SECBINFHSA-N 1 2 320.324 2.612 20 5 DFBDLO Cc1c[nH]c(C(C)(C)NC(=O)c2cc([N+](=O)[O-])ccc2C)[nH+]1 ZINC000575131253 318065596 /nfs/dbraw/zinc/06/55/96/318065596.db2.gz ZZZYMXDGYSAADH-UHFFFAOYSA-N 1 2 302.334 2.600 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000584532784 337357370 /nfs/dbraw/zinc/35/73/70/337357370.db2.gz GCESJQDUVAOELM-LLVKDONJSA-N 1 2 318.333 2.780 20 5 DFBDLO CC(C)c1nnc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000293003616 528273480 /nfs/dbraw/zinc/27/34/80/528273480.db2.gz ZJJAYQDZDZHHIB-UHFFFAOYSA-N 1 2 303.366 2.511 20 5 DFBDLO CC(C)c1nnc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000293003616 528273486 /nfs/dbraw/zinc/27/34/86/528273486.db2.gz ZJJAYQDZDZHHIB-UHFFFAOYSA-N 1 2 303.366 2.511 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC(C)(CCOC)C1 ZINC000297489281 528612011 /nfs/dbraw/zinc/61/20/11/528612011.db2.gz UXZCJSLCXJNXDV-UHFFFAOYSA-N 1 2 308.378 2.852 20 5 DFBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2ccn(C)n2)cc1[N+](=O)[O-] ZINC000358240101 535412536 /nfs/dbraw/zinc/41/25/36/535412536.db2.gz QMJWBQAXXIJRBF-LLVKDONJSA-N 1 2 304.350 2.578 20 5 DFBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2csnn2)cc(C(F)(F)F)c1 ZINC000278389469 214136442 /nfs/dbraw/zinc/13/64/42/214136442.db2.gz AJJWQTQLUUNALS-UHFFFAOYSA-N 1 2 318.280 2.755 20 5 DFBDLO COC(=O)c1cccc(OCc2ccc(C)[nH+]c2C)c1[N+](=O)[O-] ZINC000413016055 295668208 /nfs/dbraw/zinc/66/82/08/295668208.db2.gz LKKUCZGDOJMZAB-UHFFFAOYSA-N 1 2 316.313 2.972 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H](C)O1 ZINC000083171551 185215951 /nfs/dbraw/zinc/21/59/51/185215951.db2.gz LGNBIXXYYOXAHS-CMPLNLGQSA-N 1 2 305.334 2.735 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H](C)O1 ZINC000083171551 185215952 /nfs/dbraw/zinc/21/59/52/185215952.db2.gz LGNBIXXYYOXAHS-CMPLNLGQSA-N 1 2 305.334 2.735 20 5 DFBDLO C[N@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000007018114 398358094 /nfs/dbraw/zinc/35/80/94/398358094.db2.gz MVODSPACQKGUTM-UHFFFAOYSA-N 1 2 317.320 2.804 20 5 DFBDLO C[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000007018114 398358097 /nfs/dbraw/zinc/35/80/97/398358097.db2.gz MVODSPACQKGUTM-UHFFFAOYSA-N 1 2 317.320 2.804 20 5 DFBDLO COc1cc(N2CCn3cc(C)[nH+]c3C2)c(Cl)cc1[N+](=O)[O-] ZINC000596188836 398352261 /nfs/dbraw/zinc/35/22/61/398352261.db2.gz CPDHFTJYYYZBLA-UHFFFAOYSA-N 1 2 322.752 2.782 20 5 DFBDLO CC[C@H]([NH2+]Cc1nccnc1OC)c1cccc([N+](=O)[O-])c1 ZINC000294944521 529638432 /nfs/dbraw/zinc/63/84/32/529638432.db2.gz BWCZRNPHPIAJMO-ZDUSSCGKSA-N 1 2 302.334 2.634 20 5 DFBDLO Cc1noc(COc2ccc3c(c2)[nH+]c(C)n3C)c1[N+](=O)[O-] ZINC000596287106 398376990 /nfs/dbraw/zinc/37/69/90/398376990.db2.gz YWGYCZBIWJXDKN-UHFFFAOYSA-N 1 2 302.290 2.665 20 5 DFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000592130869 398389429 /nfs/dbraw/zinc/38/94/29/398389429.db2.gz LKVYPGVAXKQRRL-NEPJUHHUSA-N 1 2 311.332 2.681 20 5 DFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000592130869 398389430 /nfs/dbraw/zinc/38/94/30/398389430.db2.gz LKVYPGVAXKQRRL-NEPJUHHUSA-N 1 2 311.332 2.681 20 5 DFBDLO CC(C)[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)[NH+]1CCCCC1 ZINC000092546057 185325145 /nfs/dbraw/zinc/32/51/45/185325145.db2.gz ZDMVMJAQUDOIMO-OAHLLOKOSA-N 1 2 321.377 2.749 20 5 DFBDLO CCc1nnc(C[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)n1C ZINC000181542442 199314494 /nfs/dbraw/zinc/31/44/94/199314494.db2.gz IKKZNLHSUGHUKJ-ZDUSSCGKSA-N 1 2 303.366 2.527 20 5 DFBDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000066939832 398408003 /nfs/dbraw/zinc/40/80/03/398408003.db2.gz VNKLCCQUBRWNPP-MEBBXXQBSA-N 1 2 317.320 2.611 20 5 DFBDLO CCOc1cccc(NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000596433990 398410745 /nfs/dbraw/zinc/41/07/45/398410745.db2.gz VZAXFBIAONFIGD-STQMWFEESA-N 1 2 323.393 2.515 20 5 DFBDLO CCOc1cccc(NCC[N@H+]2C[C@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000596433990 398410749 /nfs/dbraw/zinc/41/07/49/398410749.db2.gz VZAXFBIAONFIGD-STQMWFEESA-N 1 2 323.393 2.515 20 5 DFBDLO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cc2n(n1)CCCC2 ZINC000592387586 398420536 /nfs/dbraw/zinc/42/05/36/398420536.db2.gz VEXQKGDNXMNULC-GFCCVEGCSA-N 1 2 300.362 2.978 20 5 DFBDLO COc1ncncc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000592497998 398434387 /nfs/dbraw/zinc/43/43/87/398434387.db2.gz STHBSRXJICNHIS-UHFFFAOYSA-N 1 2 314.345 2.558 20 5 DFBDLO COc1ncncc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000592497998 398434389 /nfs/dbraw/zinc/43/43/89/398434389.db2.gz STHBSRXJICNHIS-UHFFFAOYSA-N 1 2 314.345 2.558 20 5 DFBDLO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000586777464 398457640 /nfs/dbraw/zinc/45/76/40/398457640.db2.gz PPEXHJMZSXUSQA-ZWNOBZJWSA-N 1 2 318.295 2.789 20 5 DFBDLO C[C@@H]1CO[C@@H](C(F)(F)F)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000586777464 398457646 /nfs/dbraw/zinc/45/76/46/398457646.db2.gz PPEXHJMZSXUSQA-ZWNOBZJWSA-N 1 2 318.295 2.789 20 5 DFBDLO CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000592781077 398484130 /nfs/dbraw/zinc/48/41/30/398484130.db2.gz VTOADQNRRKUSGI-JTQLQIEISA-N 1 2 318.333 2.649 20 5 DFBDLO C[NH+](C)Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000031232015 398513221 /nfs/dbraw/zinc/51/32/21/398513221.db2.gz HDSVMNOYXQRYIP-UHFFFAOYSA-N 1 2 315.329 2.614 20 5 DFBDLO Cc1cccc2[nH+]c(CNC(=O)c3ccc([N+](=O)[O-])s3)cn21 ZINC000068571139 398513936 /nfs/dbraw/zinc/51/39/36/398513936.db2.gz WIKGBEFAMQLLCO-UHFFFAOYSA-N 1 2 316.342 2.542 20 5 DFBDLO O=[N+]([O-])c1ccc(NCCCn2cc[nH+]c2)cc1OC(F)F ZINC000091424911 398527604 /nfs/dbraw/zinc/52/76/04/398527604.db2.gz ZXJGQZLYCKHMKU-UHFFFAOYSA-N 1 2 312.276 2.895 20 5 DFBDLO Cn1c[nH+]cc1[C@@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000589128333 398529260 /nfs/dbraw/zinc/52/92/60/398529260.db2.gz ZSVIUVUVXYDWCF-AWEZNQCLSA-N 1 2 314.345 2.696 20 5 DFBDLO CC(C)O[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000593053800 398532468 /nfs/dbraw/zinc/53/24/68/398532468.db2.gz NDZXBEUIPCBEEY-ZDUSSCGKSA-N 1 2 318.377 2.861 20 5 DFBDLO CC(C)O[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000593053800 398532471 /nfs/dbraw/zinc/53/24/71/398532471.db2.gz NDZXBEUIPCBEEY-ZDUSSCGKSA-N 1 2 318.377 2.861 20 5 DFBDLO C[C@@H](C[NH+]1CCOCC1)Nc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000318953411 398540829 /nfs/dbraw/zinc/54/08/29/398540829.db2.gz XULIPZDJZVDHPV-JTQLQIEISA-N 1 2 315.320 2.665 20 5 DFBDLO O=[N+]([O-])c1ccc(CN(Cc2c[nH+]c3n2CCC3)C2CC2)cc1 ZINC000596980257 398540441 /nfs/dbraw/zinc/54/04/41/398540441.db2.gz YCKWJEIMCBLPQR-UHFFFAOYSA-N 1 2 312.373 2.902 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000589521245 398558616 /nfs/dbraw/zinc/55/86/16/398558616.db2.gz OGIAQCVDYVSXLC-CVEARBPZSA-N 1 2 318.373 2.834 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000589521245 398558622 /nfs/dbraw/zinc/55/86/22/398558622.db2.gz OGIAQCVDYVSXLC-CVEARBPZSA-N 1 2 318.373 2.834 20 5 DFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)c1 ZINC000589509415 398558674 /nfs/dbraw/zinc/55/86/74/398558674.db2.gz BHQDFAOYVOXLHK-MFKMUULPSA-N 1 2 310.325 2.561 20 5 DFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)c1 ZINC000589509415 398558677 /nfs/dbraw/zinc/55/86/77/398558677.db2.gz BHQDFAOYVOXLHK-MFKMUULPSA-N 1 2 310.325 2.561 20 5 DFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccco3)CC2)c(F)c1 ZINC000042097056 398582208 /nfs/dbraw/zinc/58/22/08/398582208.db2.gz IDZNVYFWFUJGST-UHFFFAOYSA-N 1 2 305.309 2.649 20 5 DFBDLO CC[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000140670175 186027677 /nfs/dbraw/zinc/02/76/77/186027677.db2.gz ZLHGZCBWAYRSGX-LLVKDONJSA-N 1 2 308.725 2.852 20 5 DFBDLO CC1(C)CC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000287105810 219317256 /nfs/dbraw/zinc/31/72/56/219317256.db2.gz LNFRMMREGKMKLY-AWEZNQCLSA-N 1 2 314.345 2.699 20 5 DFBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H](C)c1[nH]cc[nH+]1 ZINC000590567731 398632075 /nfs/dbraw/zinc/63/20/75/398632075.db2.gz DGADWVQREMZLMZ-SECBINFHSA-N 1 2 304.306 2.586 20 5 DFBDLO Cc1ccnc(NCC2CC[NH+](CC(F)F)CC2)c1[N+](=O)[O-] ZINC000590567505 398631750 /nfs/dbraw/zinc/63/17/50/398631750.db2.gz KUWJJGRJILYMOG-UHFFFAOYSA-N 1 2 314.336 2.687 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000072768607 398635923 /nfs/dbraw/zinc/63/59/23/398635923.db2.gz RIVKNMZIEOBHHC-VXGBXAGGSA-N 1 2 323.418 2.668 20 5 DFBDLO O=[N+]([O-])c1ccc(CC[NH2+]c2ccc(-n3ccnn3)cc2)cc1 ZINC000590593880 398636599 /nfs/dbraw/zinc/63/65/99/398636599.db2.gz KBNMSBHKABRYHK-UHFFFAOYSA-N 1 2 309.329 2.830 20 5 DFBDLO CCCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000171484150 186167391 /nfs/dbraw/zinc/16/73/91/186167391.db2.gz RNPWTZVLWIAKMC-UHFFFAOYSA-N 1 2 314.345 2.795 20 5 DFBDLO O=C(C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F ZINC000186015519 186231710 /nfs/dbraw/zinc/23/17/10/186231710.db2.gz HHYHBBZAWQGSEG-UHFFFAOYSA-N 1 2 316.279 2.938 20 5 DFBDLO Cc1sc(C(=O)NCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000045141509 398663295 /nfs/dbraw/zinc/66/32/95/398663295.db2.gz MSHGKLOEQGGZND-UHFFFAOYSA-N 1 2 316.342 2.542 20 5 DFBDLO COc1cc(C[NH+]2CC3(CC(F)C3)C2)c([N+](=O)[O-])cc1OC ZINC000590969258 398711191 /nfs/dbraw/zinc/71/11/91/398711191.db2.gz BNHZGAOXLBMYFH-UHFFFAOYSA-N 1 2 310.325 2.546 20 5 DFBDLO CC[C@@H](C)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000597977258 398731395 /nfs/dbraw/zinc/73/13/95/398731395.db2.gz IUUKEGIQMZDWHB-GFCCVEGCSA-N 1 2 316.361 2.947 20 5 DFBDLO Cc1csc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000047891584 398763084 /nfs/dbraw/zinc/76/30/84/398763084.db2.gz CODDHULCLHTJGG-UHFFFAOYSA-N 1 2 318.402 2.682 20 5 DFBDLO Cc1cc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc[nH+]1 ZINC000134395490 283184132 /nfs/dbraw/zinc/18/41/32/283184132.db2.gz KOXRTPYYHAKSHO-UHFFFAOYSA-N 1 2 310.313 2.961 20 5 DFBDLO CCOC(=O)c1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000179316573 199014216 /nfs/dbraw/zinc/01/42/16/199014216.db2.gz HKWVFAGJRCXHAD-UHFFFAOYSA-N 1 2 318.329 2.997 20 5 DFBDLO CCOC(=O)c1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000179316573 199014219 /nfs/dbraw/zinc/01/42/19/199014219.db2.gz HKWVFAGJRCXHAD-UHFFFAOYSA-N 1 2 318.329 2.997 20 5 DFBDLO Cc1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000075557054 398810600 /nfs/dbraw/zinc/81/06/00/398810600.db2.gz RWKVNAADCBDSIQ-ZDUSSCGKSA-N 1 2 314.345 2.646 20 5 DFBDLO CSc1cccc(C(=O)N[C@H](C)c2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000598466327 398817776 /nfs/dbraw/zinc/81/77/76/398817776.db2.gz YPUQPFRMZYNMSS-SECBINFHSA-N 1 2 320.374 2.541 20 5 DFBDLO CCc1nn(C)c(NCCc2[nH+]cc(C)cc2C)c1[N+](=O)[O-] ZINC000594597555 398827891 /nfs/dbraw/zinc/82/78/91/398827891.db2.gz XERNJMNGSSYINW-UHFFFAOYSA-N 1 2 303.366 2.557 20 5 DFBDLO CC1(C)CC(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000598504248 398825089 /nfs/dbraw/zinc/82/50/89/398825089.db2.gz JFAZPDKHTGUHON-UHFFFAOYSA-N 1 2 314.345 2.699 20 5 DFBDLO COc1cc(C[NH2+][C@@H](CCO)c2ccco2)c([N+](=O)[O-])cc1F ZINC000185065445 199804611 /nfs/dbraw/zinc/80/46/11/199804611.db2.gz ISWAYUWGEYARLW-LBPRGKRZSA-N 1 2 324.308 2.549 20 5 DFBDLO Cc1ccc([C@@H](C)NC(=O)C(C)(C)c2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000598691070 398856176 /nfs/dbraw/zinc/85/61/76/398856176.db2.gz OCSFDFXLGQEPIM-LLVKDONJSA-N 1 2 316.361 2.781 20 5 DFBDLO CO[C@@H](C)c1noc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000180406597 199155575 /nfs/dbraw/zinc/15/55/75/199155575.db2.gz NERGLGNTUBFBPY-ZJUUUORDSA-N 1 2 306.322 2.536 20 5 DFBDLO C[C@@H]([NH2+]Cc1cn(C2CCC2)nn1)c1ccccc1[N+](=O)[O-] ZINC000594935470 398875878 /nfs/dbraw/zinc/87/58/78/398875878.db2.gz PRIGUBZMHLTMAS-LLVKDONJSA-N 1 2 301.350 2.762 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1nccn1C ZINC000594997134 398888794 /nfs/dbraw/zinc/88/87/94/398888794.db2.gz YELFJMQHLCSVLZ-LLVKDONJSA-N 1 2 304.350 2.578 20 5 DFBDLO Cc1cc(N[C@@H](C)[C@@H](C)CO)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000077227481 398891028 /nfs/dbraw/zinc/89/10/28/398891028.db2.gz RSPVSMLTHUAPRI-JQWIXIFHSA-N 1 2 316.361 2.789 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ncccc1F ZINC000595036102 398895615 /nfs/dbraw/zinc/89/56/15/398895615.db2.gz OZPHIKJYGZQPCW-SNVBAGLBSA-N 1 2 305.309 2.988 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1nnc(C)s1 ZINC000595035132 398896000 /nfs/dbraw/zinc/89/60/00/398896000.db2.gz VKEJURZIMQQCTM-QMMMGPOBSA-N 1 2 308.363 2.614 20 5 DFBDLO CCn1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)n1 ZINC000595053546 398898442 /nfs/dbraw/zinc/89/84/42/398898442.db2.gz WCWWWSMHEYTEHT-LLVKDONJSA-N 1 2 304.350 2.671 20 5 DFBDLO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c2ncnn21 ZINC000595063022 398900421 /nfs/dbraw/zinc/90/04/21/398900421.db2.gz BYLHSSFZHKJCQC-KMUNFCNLSA-N 1 2 313.361 2.859 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC000595075652 398902401 /nfs/dbraw/zinc/90/24/01/398902401.db2.gz ZXXAYPNAGNNZPH-OUJBWJOFSA-N 1 2 317.349 2.552 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000595074811 398902579 /nfs/dbraw/zinc/90/25/79/398902579.db2.gz VOKWLLGEWVCHAO-UHIISALHSA-N 1 2 301.350 2.851 20 5 DFBDLO Cn1c(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])nnc1C1CC1 ZINC000599066054 398915600 /nfs/dbraw/zinc/91/56/00/398915600.db2.gz ONEVRTZWGWVTOW-UHFFFAOYSA-N 1 2 324.344 2.761 20 5 DFBDLO CCn1c[nH+]cc1[C@H]1CCCCN1Cc1onc(C)c1[N+](=O)[O-] ZINC000595300199 398919169 /nfs/dbraw/zinc/91/91/69/398919169.db2.gz BCNKWIGGBWXTGB-GFCCVEGCSA-N 1 2 319.365 2.835 20 5 DFBDLO Cc1noc(C[N@H+](C)C[C@@H]2OCCc3ccccc32)c1[N+](=O)[O-] ZINC000595300720 398919665 /nfs/dbraw/zinc/91/96/65/398919665.db2.gz GBJBGGZVBWAHSL-AWEZNQCLSA-N 1 2 317.345 2.637 20 5 DFBDLO Cc1noc(C[N@@H+](C)C[C@@H]2OCCc3ccccc32)c1[N+](=O)[O-] ZINC000595300720 398919667 /nfs/dbraw/zinc/91/96/67/398919667.db2.gz GBJBGGZVBWAHSL-AWEZNQCLSA-N 1 2 317.345 2.637 20 5 DFBDLO C[C@H](CO)C1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599096120 398920601 /nfs/dbraw/zinc/92/06/01/398920601.db2.gz KWKLMHAZZWFTDA-GFCCVEGCSA-N 1 2 315.373 2.988 20 5 DFBDLO CO[C@H](CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])[C@H]1CCOC1 ZINC000599099565 398921324 /nfs/dbraw/zinc/92/13/24/398921324.db2.gz ZYBHCSJHWUFPNH-SWLSCSKDSA-N 1 2 317.345 2.606 20 5 DFBDLO CO[C@@H](CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000599099563 398921638 /nfs/dbraw/zinc/92/16/38/398921638.db2.gz ZYBHCSJHWUFPNH-DOMZBBRYSA-N 1 2 317.345 2.606 20 5 DFBDLO CN(Cc1[nH]cc[nH+]1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000595402277 398932596 /nfs/dbraw/zinc/93/25/96/398932596.db2.gz XPQNLQAKKWUIFE-UHFFFAOYSA-N 1 2 314.267 2.969 20 5 DFBDLO Cc1csc([C@@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])C2CC2)n1 ZINC000595425501 398936172 /nfs/dbraw/zinc/93/61/72/398936172.db2.gz SNZQZFMBDZOXBH-NSHDSACASA-N 1 2 308.363 2.897 20 5 DFBDLO O=[N+]([O-])c1cnc(NCc2ccc(N3CCCC3)[nH+]c2)s1 ZINC000190314281 200517299 /nfs/dbraw/zinc/51/72/99/200517299.db2.gz RKBYOUXLRZZOOH-UHFFFAOYSA-N 1 2 305.363 2.659 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CCCO1 ZINC000281249421 216184554 /nfs/dbraw/zinc/18/45/54/216184554.db2.gz DMNCOFHHTZLNOK-GFCCVEGCSA-N 1 2 312.341 2.743 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CCCO1 ZINC000281249421 216184556 /nfs/dbraw/zinc/18/45/56/216184556.db2.gz DMNCOFHHTZLNOK-GFCCVEGCSA-N 1 2 312.341 2.743 20 5 DFBDLO Cc1cc([N+](=O)[O-])cn(Cc2ccc(C(C)C)[nH+]c2C)c1=O ZINC000292744203 223227465 /nfs/dbraw/zinc/22/74/65/223227465.db2.gz UYBVOEJBDBMWJI-UHFFFAOYSA-N 1 2 301.346 2.940 20 5 DFBDLO Cc1cc(NC[C@H](C)CCO)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000078580238 398969148 /nfs/dbraw/zinc/96/91/48/398969148.db2.gz XLIKTDOJUBMLJM-LLVKDONJSA-N 1 2 316.361 2.791 20 5 DFBDLO COC(=O)c1occc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000193902013 201141925 /nfs/dbraw/zinc/14/19/25/201141925.db2.gz BIVOYBTXJQOYPD-JTQLQIEISA-N 1 2 304.302 2.825 20 5 DFBDLO Cc1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)n(C)n1 ZINC000417707887 296042621 /nfs/dbraw/zinc/04/26/21/296042621.db2.gz BEWKXTLSTHGPBN-UHFFFAOYSA-N 1 2 300.362 2.801 20 5 DFBDLO Cc1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)n(C)n1 ZINC000417707887 296042623 /nfs/dbraw/zinc/04/26/23/296042623.db2.gz BEWKXTLSTHGPBN-UHFFFAOYSA-N 1 2 300.362 2.801 20 5 DFBDLO CCOC[C@@H]1C[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCO1 ZINC000600201111 399001973 /nfs/dbraw/zinc/00/19/73/399001973.db2.gz CKMKZSKIDIZVJF-ZGUWOUCSSA-N 1 2 320.389 2.735 20 5 DFBDLO CCOC[C@@H]1C[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCO1 ZINC000600201111 399001974 /nfs/dbraw/zinc/00/19/74/399001974.db2.gz CKMKZSKIDIZVJF-ZGUWOUCSSA-N 1 2 320.389 2.735 20 5 DFBDLO CCOc1cc(C[N@@H+]2CCO[C@](C)(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000595626133 399007279 /nfs/dbraw/zinc/00/72/79/399007279.db2.gz PNBABQMDWMZSOL-KRWDZBQOSA-N 1 2 320.389 2.994 20 5 DFBDLO CCOc1cc(C[N@H+]2CCO[C@](C)(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000595626133 399007283 /nfs/dbraw/zinc/00/72/83/399007283.db2.gz PNBABQMDWMZSOL-KRWDZBQOSA-N 1 2 320.389 2.994 20 5 DFBDLO C[C@@]1(C2CC2)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000595627143 399009243 /nfs/dbraw/zinc/00/92/43/399009243.db2.gz VYOILBAPMKASIO-INIZCTEOSA-N 1 2 317.345 2.737 20 5 DFBDLO C[C@@]1(C2CC2)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000595627143 399009247 /nfs/dbraw/zinc/00/92/47/399009247.db2.gz VYOILBAPMKASIO-INIZCTEOSA-N 1 2 317.345 2.737 20 5 DFBDLO COc1cc(C[N@@H+]2CC3(CCC3)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000595683173 399034183 /nfs/dbraw/zinc/03/41/83/399034183.db2.gz UUDGYDJZOFKWBG-LBPRGKRZSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1cc(C[N@H+]2CC3(CCC3)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000595683173 399034186 /nfs/dbraw/zinc/03/41/86/399034186.db2.gz UUDGYDJZOFKWBG-LBPRGKRZSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2c(O)cccc2C1 ZINC000599645178 399041851 /nfs/dbraw/zinc/04/18/51/399041851.db2.gz DFZGUMDYATVRGI-UHFFFAOYSA-N 1 2 314.341 2.867 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2c(O)cccc2C1 ZINC000599645178 399041854 /nfs/dbraw/zinc/04/18/54/399041854.db2.gz DFZGUMDYATVRGI-UHFFFAOYSA-N 1 2 314.341 2.867 20 5 DFBDLO CC(C)(C)OC(=O)C(C)(C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000599650785 399044593 /nfs/dbraw/zinc/04/45/93/399044593.db2.gz XBIIRVOYTFDXAT-UHFFFAOYSA-N 1 2 324.377 2.684 20 5 DFBDLO COc1cc(C[N@@H+]2CCc3c(O)cccc3C2)ccc1[N+](=O)[O-] ZINC000599645861 399041338 /nfs/dbraw/zinc/04/13/38/399041338.db2.gz GTEGSYWFONEUNJ-UHFFFAOYSA-N 1 2 314.341 2.867 20 5 DFBDLO COc1cc(C[N@H+]2CCc3c(O)cccc3C2)ccc1[N+](=O)[O-] ZINC000599645861 399041343 /nfs/dbraw/zinc/04/13/43/399041343.db2.gz GTEGSYWFONEUNJ-UHFFFAOYSA-N 1 2 314.341 2.867 20 5 DFBDLO COC(=O)C1C[C@H](C)[NH+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000599690369 399066216 /nfs/dbraw/zinc/06/62/16/399066216.db2.gz XWYXXINZVYUOQG-QWRGUYRKSA-N 1 2 324.352 2.896 20 5 DFBDLO CC(C)OC[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000613746092 399074767 /nfs/dbraw/zinc/07/47/67/399074767.db2.gz VHPGOTVZHLVGNE-WRLNGNIRSA-N 1 2 320.389 2.734 20 5 DFBDLO CC(C)OC[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000613746092 399074774 /nfs/dbraw/zinc/07/47/74/399074774.db2.gz VHPGOTVZHLVGNE-WRLNGNIRSA-N 1 2 320.389 2.734 20 5 DFBDLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000595784925 399083717 /nfs/dbraw/zinc/08/37/17/399083717.db2.gz KLJYWKGIGPKRLT-ZWNOBZJWSA-N 1 2 318.295 2.789 20 5 DFBDLO C[C@@H]1[C@H](C(F)(F)F)OCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000595784925 399083723 /nfs/dbraw/zinc/08/37/23/399083723.db2.gz KLJYWKGIGPKRLT-ZWNOBZJWSA-N 1 2 318.295 2.789 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2c[nH+]ccc2OC)c1 ZINC000338522441 284124088 /nfs/dbraw/zinc/12/40/88/284124088.db2.gz BHXBFPPASSYKPD-UHFFFAOYSA-N 1 2 317.301 2.649 20 5 DFBDLO CCCn1ncnc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292257173 284134508 /nfs/dbraw/zinc/13/45/08/284134508.db2.gz YGZNNTRKKKXELL-UHFFFAOYSA-N 1 2 303.366 2.621 20 5 DFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2C[C@@H](O)C3(CC3)C2)c1 ZINC000339094486 284135940 /nfs/dbraw/zinc/13/59/40/284135940.db2.gz VAHARBLBOMNSSK-GFCCVEGCSA-N 1 2 316.279 2.570 20 5 DFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2C[C@@H](O)C3(CC3)C2)c1 ZINC000339094486 284135943 /nfs/dbraw/zinc/13/59/43/284135943.db2.gz VAHARBLBOMNSSK-GFCCVEGCSA-N 1 2 316.279 2.570 20 5 DFBDLO COC[C@@H]1C[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000093528861 193264720 /nfs/dbraw/zinc/26/47/20/193264720.db2.gz UPBMOVUIAUSBAM-AWEZNQCLSA-N 1 2 308.378 2.565 20 5 DFBDLO COC[C@@H]1C[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000093528861 193264722 /nfs/dbraw/zinc/26/47/22/193264722.db2.gz UPBMOVUIAUSBAM-AWEZNQCLSA-N 1 2 308.378 2.565 20 5 DFBDLO C[N@H+](CC1=CCSC1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000595889204 399124415 /nfs/dbraw/zinc/12/44/15/399124415.db2.gz ROECRBMWWKNGJW-UHFFFAOYSA-N 1 2 300.330 2.978 20 5 DFBDLO C[N@@H+](CC1=CCSC1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000595889204 399124420 /nfs/dbraw/zinc/12/44/20/399124420.db2.gz ROECRBMWWKNGJW-UHFFFAOYSA-N 1 2 300.330 2.978 20 5 DFBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@](C)(C(F)F)O1 ZINC000595916738 399134495 /nfs/dbraw/zinc/13/44/95/399134495.db2.gz LGGGASLODFPLPS-YGRLFVJLSA-N 1 2 300.305 2.839 20 5 DFBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@](C)(C(F)F)O1 ZINC000595916738 399134501 /nfs/dbraw/zinc/13/45/01/399134501.db2.gz LGGGASLODFPLPS-YGRLFVJLSA-N 1 2 300.305 2.839 20 5 DFBDLO CCC(F)(F)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000600764104 399138779 /nfs/dbraw/zinc/13/87/79/399138779.db2.gz XPMPCWHAUWOIFH-UHFFFAOYSA-N 1 2 301.293 2.558 20 5 DFBDLO Cc1cc(NCc2[nH+]ccn2CC(F)(F)F)ncc1[N+](=O)[O-] ZINC000080600854 399161436 /nfs/dbraw/zinc/16/14/36/399161436.db2.gz MFPJHQMJYQBNKR-UHFFFAOYSA-N 1 2 315.255 2.669 20 5 DFBDLO Cc1cnc(NCCc2cn3cccc(C)c3[nH+]2)c([N+](=O)[O-])c1 ZINC000080676001 399169230 /nfs/dbraw/zinc/16/92/30/399169230.db2.gz WZQLBXDJZJYALM-UHFFFAOYSA-N 1 2 311.345 2.909 20 5 DFBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H](C)O2 ZINC000282540229 217072976 /nfs/dbraw/zinc/07/29/76/217072976.db2.gz RKMWTOOGIYGZCC-BFQNTYOBSA-N 1 2 324.352 2.502 20 5 DFBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H](C)O2 ZINC000282540229 217072980 /nfs/dbraw/zinc/07/29/80/217072980.db2.gz RKMWTOOGIYGZCC-BFQNTYOBSA-N 1 2 324.352 2.502 20 5 DFBDLO COc1cc(N(C)CCCn2cc[nH+]c2)c(Cl)cc1[N+](=O)[O-] ZINC000596165520 399198876 /nfs/dbraw/zinc/19/88/76/399198876.db2.gz LHRSYQPGEXSMOE-UHFFFAOYSA-N 1 2 324.768 2.980 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@H](CC)O1 ZINC000420954925 296217242 /nfs/dbraw/zinc/21/72/42/296217242.db2.gz KSRAYVCLPJGQQB-GASCZTMLSA-N 1 2 308.378 2.993 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@H](CC)O1 ZINC000420954925 296217243 /nfs/dbraw/zinc/21/72/43/296217243.db2.gz KSRAYVCLPJGQQB-GASCZTMLSA-N 1 2 308.378 2.993 20 5 DFBDLO O=[N+]([O-])c1cc(F)cnc1NCC1CC[NH+](CC(F)F)CC1 ZINC000601165513 399245579 /nfs/dbraw/zinc/24/55/79/399245579.db2.gz CLCHLQHKXJMAIY-UHFFFAOYSA-N 1 2 318.299 2.518 20 5 DFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@]23CCOC3)c1 ZINC000421391342 296251851 /nfs/dbraw/zinc/25/18/51/296251851.db2.gz AJEZAZDELHORRX-CQSZACIVSA-N 1 2 314.288 2.561 20 5 DFBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@]23CCOC3)c1 ZINC000421391342 296251853 /nfs/dbraw/zinc/25/18/53/296251853.db2.gz AJEZAZDELHORRX-CQSZACIVSA-N 1 2 314.288 2.561 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000041284459 183183187 /nfs/dbraw/zinc/18/31/87/183183187.db2.gz ZWUMPWCWLWOHLS-UHFFFAOYSA-N 1 2 310.313 2.732 20 5 DFBDLO C[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000619175145 399307434 /nfs/dbraw/zinc/30/74/34/399307434.db2.gz BEZJTGFJNJIPGT-GFCCVEGCSA-N 1 2 324.352 2.504 20 5 DFBDLO C[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000619175145 399307436 /nfs/dbraw/zinc/30/74/36/399307436.db2.gz BEZJTGFJNJIPGT-GFCCVEGCSA-N 1 2 324.352 2.504 20 5 DFBDLO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000609313976 399313279 /nfs/dbraw/zinc/31/32/79/399313279.db2.gz MZMXJYCLJUDUAE-UHFFFAOYSA-N 1 2 312.325 2.897 20 5 DFBDLO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000609313976 399313282 /nfs/dbraw/zinc/31/32/82/399313282.db2.gz MZMXJYCLJUDUAE-UHFFFAOYSA-N 1 2 312.325 2.897 20 5 DFBDLO Cc1sc(C(=O)Nc2ccc3[nH+]ccn3c2)cc1[N+](=O)[O-] ZINC000609623097 399326932 /nfs/dbraw/zinc/32/69/32/399326932.db2.gz LOTXRMNUOHFPJM-UHFFFAOYSA-N 1 2 302.315 2.865 20 5 DFBDLO COc1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000051997177 425883585 /nfs/dbraw/zinc/88/35/85/425883585.db2.gz UQYVIJHCFGNWMX-BBRMVZONSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1ccc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000051997177 425883586 /nfs/dbraw/zinc/88/35/86/425883586.db2.gz UQYVIJHCFGNWMX-BBRMVZONSA-N 1 2 306.362 2.747 20 5 DFBDLO O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccc2[nH+]ccn2c1 ZINC000610025143 399339947 /nfs/dbraw/zinc/33/99/47/399339947.db2.gz ABKHHCYORIKGHJ-UHFFFAOYSA-N 1 2 311.301 2.564 20 5 DFBDLO O=C(Nc1ccn2cc[nH+]c2c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000619578475 399364016 /nfs/dbraw/zinc/36/40/16/399364016.db2.gz LVIZHDNZLFZWKB-UHFFFAOYSA-N 1 2 300.249 2.634 20 5 DFBDLO CO[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000285243285 218347356 /nfs/dbraw/zinc/34/73/56/218347356.db2.gz HUGOHCIHUMOEQJ-GXSJLCMTSA-N 1 2 300.305 2.872 20 5 DFBDLO CO[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000285243285 218347358 /nfs/dbraw/zinc/34/73/58/218347358.db2.gz HUGOHCIHUMOEQJ-GXSJLCMTSA-N 1 2 300.305 2.872 20 5 DFBDLO CO[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000285243299 218347952 /nfs/dbraw/zinc/34/79/52/218347952.db2.gz HUGOHCIHUMOEQJ-MWLCHTKSSA-N 1 2 300.305 2.872 20 5 DFBDLO CO[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000285243299 218347955 /nfs/dbraw/zinc/34/79/55/218347955.db2.gz HUGOHCIHUMOEQJ-MWLCHTKSSA-N 1 2 300.305 2.872 20 5 DFBDLO COCC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000602443998 399446024 /nfs/dbraw/zinc/44/60/24/399446024.db2.gz IGYTWPJIVGAHMR-CYBMUJFWSA-N 1 2 318.377 2.538 20 5 DFBDLO COCC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000602443998 399446026 /nfs/dbraw/zinc/44/60/26/399446026.db2.gz IGYTWPJIVGAHMR-CYBMUJFWSA-N 1 2 318.377 2.538 20 5 DFBDLO Cc1occc1C[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611264900 399453361 /nfs/dbraw/zinc/45/33/61/399453361.db2.gz GDCUXAMKFMXJAF-UHFFFAOYSA-N 1 2 318.329 2.899 20 5 DFBDLO Cc1occc1C[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611264900 399453364 /nfs/dbraw/zinc/45/33/64/399453364.db2.gz GDCUXAMKFMXJAF-UHFFFAOYSA-N 1 2 318.329 2.899 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000611398170 399470439 /nfs/dbraw/zinc/47/04/39/399470439.db2.gz IVNDVKMJEUODKT-LBPRGKRZSA-N 1 2 323.418 2.587 20 5 DFBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](F)C2)cccc1[N+](=O)[O-] ZINC000611501370 399483272 /nfs/dbraw/zinc/48/32/72/399483272.db2.gz BEJASPXCMLGQSX-DRZSPHRISA-N 1 2 323.368 2.910 20 5 DFBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](F)C2)cccc1[N+](=O)[O-] ZINC000611501370 399483273 /nfs/dbraw/zinc/48/32/73/399483273.db2.gz BEJASPXCMLGQSX-DRZSPHRISA-N 1 2 323.368 2.910 20 5 DFBDLO C[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1F ZINC000611501470 399483470 /nfs/dbraw/zinc/48/34/70/399483470.db2.gz CJPDVHGIFHEOJJ-ZWNOBZJWSA-N 1 2 320.324 2.825 20 5 DFBDLO C[C@@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1F ZINC000611501470 399483473 /nfs/dbraw/zinc/48/34/73/399483473.db2.gz CJPDVHGIFHEOJJ-ZWNOBZJWSA-N 1 2 320.324 2.825 20 5 DFBDLO COc1cc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)ccc1[N+](=O)[O-] ZINC000611515319 399485813 /nfs/dbraw/zinc/48/58/13/399485813.db2.gz HIBGDQFQHPJKCE-CYBMUJFWSA-N 1 2 316.361 2.706 20 5 DFBDLO COc1cc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)ccc1[N+](=O)[O-] ZINC000611515319 399485814 /nfs/dbraw/zinc/48/58/14/399485814.db2.gz HIBGDQFQHPJKCE-CYBMUJFWSA-N 1 2 316.361 2.706 20 5 DFBDLO COc1cc(C[N@@H+]2CC(C)(C)OCC2(C)C)ccc1[N+](=O)[O-] ZINC000611516447 399486755 /nfs/dbraw/zinc/48/67/55/399486755.db2.gz BJUINDZLNBSBRF-UHFFFAOYSA-N 1 2 308.378 2.993 20 5 DFBDLO COc1cc(C[N@H+]2CC(C)(C)OCC2(C)C)ccc1[N+](=O)[O-] ZINC000611516447 399486757 /nfs/dbraw/zinc/48/67/57/399486757.db2.gz BJUINDZLNBSBRF-UHFFFAOYSA-N 1 2 308.378 2.993 20 5 DFBDLO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)C2 ZINC000611567450 399492920 /nfs/dbraw/zinc/49/29/20/399492920.db2.gz XRTBQUNIZBAZMP-NSHDSACASA-N 1 2 314.345 2.678 20 5 DFBDLO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000611567450 399492921 /nfs/dbraw/zinc/49/29/21/399492921.db2.gz XRTBQUNIZBAZMP-NSHDSACASA-N 1 2 314.345 2.678 20 5 DFBDLO Cc1ccccc1[C@H](CO)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000611683072 399504736 /nfs/dbraw/zinc/50/47/36/399504736.db2.gz UENWQGYEXZJOIQ-HNNXBMFYSA-N 1 2 304.321 2.866 20 5 DFBDLO Cn1cc(C[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)c([N+](=O)[O-])n1 ZINC000602683950 399519472 /nfs/dbraw/zinc/51/94/72/399519472.db2.gz YORGIMZOJJIDFB-CYBMUJFWSA-N 1 2 302.334 2.649 20 5 DFBDLO Cn1cc(C[N@H+]2CC3(CCC3)[C@H]2c2ccco2)c([N+](=O)[O-])n1 ZINC000602683950 399519475 /nfs/dbraw/zinc/51/94/75/399519475.db2.gz YORGIMZOJJIDFB-CYBMUJFWSA-N 1 2 302.334 2.649 20 5 DFBDLO O=[N+]([O-])c1sc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)cc1Br ZINC000602721833 399540105 /nfs/dbraw/zinc/54/01/05/399540105.db2.gz XDLRGQYVROIKNY-KNVOCYPGSA-N 1 2 303.181 2.871 20 5 DFBDLO O=[N+]([O-])c1sc(C[N@H+]2C[C@@H]3C[C@@H]3C2)cc1Br ZINC000602721833 399540111 /nfs/dbraw/zinc/54/01/11/399540111.db2.gz XDLRGQYVROIKNY-KNVOCYPGSA-N 1 2 303.181 2.871 20 5 DFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120187053 195114269 /nfs/dbraw/zinc/11/42/69/195114269.db2.gz KEVXQHVNHZZVNM-AWEZNQCLSA-N 1 2 314.345 2.614 20 5 DFBDLO COC(=O)C1([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)CCCC1 ZINC000159178781 197332979 /nfs/dbraw/zinc/33/29/79/197332979.db2.gz MUSMZVRLDBQWNK-UHFFFAOYSA-N 1 2 322.361 2.521 20 5 DFBDLO COC(=O)C1([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)CCCC1 ZINC000159178781 197332981 /nfs/dbraw/zinc/33/29/81/197332981.db2.gz MUSMZVRLDBQWNK-UHFFFAOYSA-N 1 2 322.361 2.521 20 5 DFBDLO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3C[C@H]3C(F)(F)F)nc2c1 ZINC000602743756 399552650 /nfs/dbraw/zinc/55/26/50/399552650.db2.gz UBLVPRRNOQQWJD-HTQZYQBOSA-N 1 2 301.224 2.776 20 5 DFBDLO COC(=O)c1oc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1C ZINC000602744861 399554189 /nfs/dbraw/zinc/55/41/89/399554189.db2.gz UJJAQSWLFFODIH-UHFFFAOYSA-N 1 2 322.292 2.712 20 5 DFBDLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602758937 399558072 /nfs/dbraw/zinc/55/80/72/399558072.db2.gz KAIJUFDULYPMTN-VIFPVBQESA-N 1 2 310.304 2.800 20 5 DFBDLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602758937 399558077 /nfs/dbraw/zinc/55/80/77/399558077.db2.gz KAIJUFDULYPMTN-VIFPVBQESA-N 1 2 310.304 2.800 20 5 DFBDLO O=[N+]([O-])c1cnccc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361054910 285187829 /nfs/dbraw/zinc/18/78/29/285187829.db2.gz DBODVMYKIJYBNF-UHFFFAOYSA-N 1 2 315.377 2.883 20 5 DFBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]2c2ncccn2)c1 ZINC000602895840 399618243 /nfs/dbraw/zinc/61/82/43/399618243.db2.gz CPKHIQUNDKEZAV-HNNXBMFYSA-N 1 2 314.345 2.601 20 5 DFBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H]2c2ncccn2)c1 ZINC000602895840 399618247 /nfs/dbraw/zinc/61/82/47/399618247.db2.gz CPKHIQUNDKEZAV-HNNXBMFYSA-N 1 2 314.345 2.601 20 5 DFBDLO CN(C)c1cc[nH+]c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000612345132 399628457 /nfs/dbraw/zinc/62/84/57/399628457.db2.gz BFWUWJGGVKKNRE-UHFFFAOYSA-N 1 2 320.736 2.962 20 5 DFBDLO Cc1cc(Cl)c(C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000294896015 224293117 /nfs/dbraw/zinc/29/31/17/224293117.db2.gz RFGHSUKZNNNSJG-SNVBAGLBSA-N 1 2 322.752 2.572 20 5 DFBDLO CC[C@@]1(O)CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000602983669 399649802 /nfs/dbraw/zinc/64/98/02/399649802.db2.gz PNGQKUFBHKBHCB-CQSZACIVSA-N 1 2 300.305 2.610 20 5 DFBDLO CC[C@@]1(O)CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000602983669 399649807 /nfs/dbraw/zinc/64/98/07/399649807.db2.gz PNGQKUFBHKBHCB-CQSZACIVSA-N 1 2 300.305 2.610 20 5 DFBDLO COc1nccnc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000294578135 533272528 /nfs/dbraw/zinc/27/25/28/533272528.db2.gz PSANFFLJWSYIEN-UHFFFAOYSA-N 1 2 316.361 2.804 20 5 DFBDLO COc1nccnc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000294578135 533272530 /nfs/dbraw/zinc/27/25/30/533272530.db2.gz PSANFFLJWSYIEN-UHFFFAOYSA-N 1 2 316.361 2.804 20 5 DFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000361659257 533383106 /nfs/dbraw/zinc/38/31/06/533383106.db2.gz ZKGLWDMDIPCULI-OBFMZJQYSA-N 1 2 322.430 2.839 20 5 DFBDLO COc1cc([N+](=O)[O-])cn(Cc2ccc(C(C)C)[nH+]c2C)c1=O ZINC000603356589 399752793 /nfs/dbraw/zinc/75/27/93/399752793.db2.gz BLGCNCBRMSUYHC-UHFFFAOYSA-N 1 2 317.345 2.640 20 5 DFBDLO Cc1ccc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000299547354 132110429 /nfs/dbraw/zinc/11/04/29/132110429.db2.gz QAVNSWNYSWSSCV-ZDUSSCGKSA-N 1 2 314.345 2.994 20 5 DFBDLO CCN(CC)c1ccc(CNc2cccnc2[N+](=O)[O-])c[nH+]1 ZINC000603859688 399809597 /nfs/dbraw/zinc/80/95/97/399809597.db2.gz RVOKMFPWRYMVGL-UHFFFAOYSA-N 1 2 301.350 2.843 20 5 DFBDLO COC(=O)c1ccoc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271777528 292028627 /nfs/dbraw/zinc/02/86/27/292028627.db2.gz RPZYZINGMRIQSK-JTQLQIEISA-N 1 2 304.302 2.825 20 5 DFBDLO O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccn2cc[nH+]c2c1 ZINC000492842552 299664872 /nfs/dbraw/zinc/66/48/72/299664872.db2.gz ZMIXDSRBGZDXHL-AATRIKPKSA-N 1 2 308.297 2.894 20 5 DFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000425309424 296565732 /nfs/dbraw/zinc/56/57/32/296565732.db2.gz WIJNQOSHAMNRKZ-QDMKHBRRSA-N 1 2 317.389 2.637 20 5 DFBDLO O=[N+]([O-])c1cccc(Cl)c1NCC[NH+]1CCSCC1 ZINC000230941618 146015591 /nfs/dbraw/zinc/01/55/91/146015591.db2.gz AFBGFAKHRSLLDG-UHFFFAOYSA-N 1 2 301.799 2.709 20 5 DFBDLO Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000354447792 147040039 /nfs/dbraw/zinc/04/00/39/147040039.db2.gz PBPPQZQCPNHOFZ-UHFFFAOYSA-N 1 2 323.312 2.615 20 5 DFBDLO Cc1[nH+]c2ccc(C(=O)NCc3ccc([N+](=O)[O-])cc3)cc2n1C ZINC000354806964 147158562 /nfs/dbraw/zinc/15/85/62/147158562.db2.gz MMNLFCNKVCHBON-UHFFFAOYSA-N 1 2 324.340 2.720 20 5 DFBDLO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)s1 ZINC000355334322 147269066 /nfs/dbraw/zinc/26/90/66/147269066.db2.gz MADWFXKYRMEOTP-JTQLQIEISA-N 1 2 323.422 2.849 20 5 DFBDLO CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)s1 ZINC000355334322 147269068 /nfs/dbraw/zinc/26/90/68/147269068.db2.gz MADWFXKYRMEOTP-JTQLQIEISA-N 1 2 323.422 2.849 20 5 DFBDLO COc1cccc(N(C)Cc2cn3c([nH+]2)CCCC3)c1[N+](=O)[O-] ZINC000372992479 150213086 /nfs/dbraw/zinc/21/30/86/150213086.db2.gz KFGBIPXKWWRHHS-UHFFFAOYSA-N 1 2 316.361 2.773 20 5 DFBDLO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccn2cc[nH+]c2c1 ZINC000351662650 286185869 /nfs/dbraw/zinc/18/58/69/286185869.db2.gz ZYZDUOSUGKCMNC-UHFFFAOYSA-N 1 2 310.313 2.814 20 5 DFBDLO Cc1cn2cc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])ccc2[nH+]1 ZINC000351830805 286228310 /nfs/dbraw/zinc/22/83/10/286228310.db2.gz HRDPXBNWEYDHOA-UHFFFAOYSA-N 1 2 312.285 2.509 20 5 DFBDLO C[N@H+](CC[C@@H]1CCCO1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352422958 286369498 /nfs/dbraw/zinc/36/94/98/286369498.db2.gz VUEMHUMPGCEEQC-NSHDSACASA-N 1 2 300.305 2.874 20 5 DFBDLO C[N@@H+](CC[C@@H]1CCCO1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352422958 286369500 /nfs/dbraw/zinc/36/95/00/286369500.db2.gz VUEMHUMPGCEEQC-NSHDSACASA-N 1 2 300.305 2.874 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000247152192 292288479 /nfs/dbraw/zinc/28/84/79/292288479.db2.gz XBTSPVXTCIZUHR-FZMZJTMJSA-N 1 2 301.350 2.582 20 5 DFBDLO Cc1[nH+]c2ccc(C(=O)NCc3ccccc3[N+](=O)[O-])cc2n1C ZINC000354589938 158234992 /nfs/dbraw/zinc/23/49/92/158234992.db2.gz CMDUEWZLWWIAOH-UHFFFAOYSA-N 1 2 324.340 2.720 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ncnn1-c1ccccc1 ZINC000355203441 158296995 /nfs/dbraw/zinc/29/69/95/158296995.db2.gz QDKLPIRCWSKSMO-UHFFFAOYSA-N 1 2 323.356 2.774 20 5 DFBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000299476786 229140982 /nfs/dbraw/zinc/14/09/82/229140982.db2.gz BUCHHOOESJGWBS-UHFFFAOYSA-N 1 2 315.333 2.660 20 5 DFBDLO C[C@H](Nc1ncnc2c1C[N@H+](C)CC2)c1cccc([N+](=O)[O-])c1 ZINC000299653348 229302120 /nfs/dbraw/zinc/30/21/20/229302120.db2.gz YTMAYEYAXWDWQJ-NSHDSACASA-N 1 2 313.361 2.546 20 5 DFBDLO C[C@H](Nc1ncnc2c1C[N@@H+](C)CC2)c1cccc([N+](=O)[O-])c1 ZINC000299653348 229302127 /nfs/dbraw/zinc/30/21/27/229302127.db2.gz YTMAYEYAXWDWQJ-NSHDSACASA-N 1 2 313.361 2.546 20 5 DFBDLO CC(C)(C)CC(=O)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000045783931 425862556 /nfs/dbraw/zinc/86/25/56/425862556.db2.gz QSGNJEZNIMOKOO-UHFFFAOYSA-N 1 2 319.405 2.675 20 5 DFBDLO CCCCCNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599435 425865491 /nfs/dbraw/zinc/86/54/91/425865491.db2.gz DQSKCBXATGOGED-CYBMUJFWSA-N 1 2 307.394 2.722 20 5 DFBDLO CCCCCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599435 425865492 /nfs/dbraw/zinc/86/54/92/425865492.db2.gz DQSKCBXATGOGED-CYBMUJFWSA-N 1 2 307.394 2.722 20 5 DFBDLO C[C@H](C(=O)Nc1nccs1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599361 425865610 /nfs/dbraw/zinc/86/56/10/425865610.db2.gz AADDXFRWNIJHIF-SNVBAGLBSA-N 1 2 320.374 2.510 20 5 DFBDLO C[C@H](C(=O)Nc1nccs1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599361 425865611 /nfs/dbraw/zinc/86/56/11/425865611.db2.gz AADDXFRWNIJHIF-SNVBAGLBSA-N 1 2 320.374 2.510 20 5 DFBDLO CC(C)N(C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000046598889 425865796 /nfs/dbraw/zinc/86/57/96/425865796.db2.gz FOFBTQKMZLPYGC-UHFFFAOYSA-N 1 2 307.394 2.672 20 5 DFBDLO CC(C)N(C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000046598889 425865797 /nfs/dbraw/zinc/86/57/97/425865797.db2.gz FOFBTQKMZLPYGC-UHFFFAOYSA-N 1 2 307.394 2.672 20 5 DFBDLO Cc1cc(N[C@H]2CCO[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000270823065 268223044 /nfs/dbraw/zinc/22/30/44/268223044.db2.gz ZAQMMUIUSYFFOV-FZMZJTMJSA-N 1 2 314.345 2.950 20 5 DFBDLO Cc1ccn2cc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)[nH+]c2c1 ZINC000107429421 425991761 /nfs/dbraw/zinc/99/17/61/425991761.db2.gz IIXKWPVYOWMKME-UHFFFAOYSA-N 1 2 324.340 2.789 20 5 DFBDLO C[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000125846886 425993627 /nfs/dbraw/zinc/99/36/27/425993627.db2.gz TWUCVPDTUUGEGM-IUODEOHRSA-N 1 2 314.345 2.515 20 5 DFBDLO Cc1c([C@@H](C)[NH2+][C@H](C(N)=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000126055223 426002976 /nfs/dbraw/zinc/00/29/76/426002976.db2.gz WXJZJLWENXZGON-WBMJQRKESA-N 1 2 313.357 2.780 20 5 DFBDLO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000108206672 426011765 /nfs/dbraw/zinc/01/17/65/426011765.db2.gz VCIBEXRRGASKHN-AGIUHOORSA-N 1 2 324.402 2.962 20 5 DFBDLO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000108206672 426011767 /nfs/dbraw/zinc/01/17/67/426011767.db2.gz VCIBEXRRGASKHN-AGIUHOORSA-N 1 2 324.402 2.962 20 5 DFBDLO Cc1cc(N(C)[C@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000112967049 426098905 /nfs/dbraw/zinc/09/89/05/426098905.db2.gz CVYMOXGXVKOZNY-AWEZNQCLSA-N 1 2 314.345 2.585 20 5 DFBDLO C[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000166163771 426125744 /nfs/dbraw/zinc/12/57/44/426125744.db2.gz PDLLXYKLRKSHNH-DCAQKATOSA-N 1 2 307.350 2.500 20 5 DFBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc[nH+]cc1C ZINC000112496557 426079955 /nfs/dbraw/zinc/07/99/55/426079955.db2.gz HNRMTWSNXWUKRC-UHFFFAOYSA-N 1 2 321.358 2.661 20 5 DFBDLO COc1cc[nH+]cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117638027 426220347 /nfs/dbraw/zinc/22/03/47/426220347.db2.gz OMWHDXPIAMBCLP-UHFFFAOYSA-N 1 2 321.720 2.833 20 5 DFBDLO Cc1cc(NCC(C)(C)CO)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000135588851 426223519 /nfs/dbraw/zinc/22/35/19/426223519.db2.gz NQRXFMRPELOKMP-UHFFFAOYSA-N 1 2 316.361 2.791 20 5 DFBDLO CCOC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000083244173 426229249 /nfs/dbraw/zinc/22/92/49/426229249.db2.gz HSJJHKSEDPTMMI-UHFFFAOYSA-N 1 2 306.362 2.903 20 5 DFBDLO CCOC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000083244173 426229251 /nfs/dbraw/zinc/22/92/51/426229251.db2.gz HSJJHKSEDPTMMI-UHFFFAOYSA-N 1 2 306.362 2.903 20 5 DFBDLO O=C(NCCc1[nH]cc[nH+]1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000174751780 426264513 /nfs/dbraw/zinc/26/45/13/426264513.db2.gz LBPNWBKWACRPFM-UHFFFAOYSA-N 1 2 316.342 2.505 20 5 DFBDLO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000090224228 426325141 /nfs/dbraw/zinc/32/51/41/426325141.db2.gz NYKLBUQVRALTCH-FZMZJTMJSA-N 1 2 315.377 2.989 20 5 DFBDLO COc1ccc(OCC[N@H+](C)Cc2nccs2)c([N+](=O)[O-])c1 ZINC000175067134 426276995 /nfs/dbraw/zinc/27/69/95/426276995.db2.gz DKSNNNAACCZBPO-UHFFFAOYSA-N 1 2 323.374 2.571 20 5 DFBDLO COc1ccc(OCC[N@@H+](C)Cc2nccs2)c([N+](=O)[O-])c1 ZINC000175067134 426276996 /nfs/dbraw/zinc/27/69/96/426276996.db2.gz DKSNNNAACCZBPO-UHFFFAOYSA-N 1 2 323.374 2.571 20 5 DFBDLO O=[N+]([O-])c1ccccc1C[NH+]1CCN(c2cccs2)CC1 ZINC000121434863 426342232 /nfs/dbraw/zinc/34/22/32/426342232.db2.gz ZMFFZJBNGWYOND-UHFFFAOYSA-N 1 2 303.387 2.979 20 5 DFBDLO CN(C)c1cc(CNc2ncc(Cl)cc2[N+](=O)[O-])cc[nH+]1 ZINC000153575013 426392068 /nfs/dbraw/zinc/39/20/68/426392068.db2.gz HLGASNAIFYGTLR-UHFFFAOYSA-N 1 2 307.741 2.716 20 5 DFBDLO O=[N+]([O-])c1ccc(N2CCC(CCCn3cc[nH+]c3)CC2)nc1 ZINC000340770558 269010096 /nfs/dbraw/zinc/01/00/96/269010096.db2.gz DOYNAVOYOMKBRR-UHFFFAOYSA-N 1 2 315.377 2.883 20 5 DFBDLO C[C@H](c1ccccc1)[N@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000123872825 426458086 /nfs/dbraw/zinc/45/80/86/426458086.db2.gz TURXFNXVUZZBJE-CYBMUJFWSA-N 1 2 313.357 2.643 20 5 DFBDLO C[C@H](c1ccccc1)[N@@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000123872825 426458088 /nfs/dbraw/zinc/45/80/88/426458088.db2.gz TURXFNXVUZZBJE-CYBMUJFWSA-N 1 2 313.357 2.643 20 5 DFBDLO C[C@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000178287107 426600210 /nfs/dbraw/zinc/60/02/10/426600210.db2.gz DMQSCAXTBQLZDA-LBPRGKRZSA-N 1 2 315.377 2.764 20 5 DFBDLO Cc1ccnc(NCc2cc[nH+]c(N3CCCC3)c2)c1[N+](=O)[O-] ZINC000265236947 426603270 /nfs/dbraw/zinc/60/32/70/426603270.db2.gz NXCJXKJBJHYGBM-UHFFFAOYSA-N 1 2 313.361 2.906 20 5 DFBDLO COc1ccc(NC(=O)C[N@@H+]2CCC(C)=C(C)C2)c([N+](=O)[O-])c1 ZINC000280860379 426671767 /nfs/dbraw/zinc/67/17/67/426671767.db2.gz YSAGECXBMBATDX-UHFFFAOYSA-N 1 2 319.361 2.584 20 5 DFBDLO COc1ccc(NC(=O)C[N@H+]2CCC(C)=C(C)C2)c([N+](=O)[O-])c1 ZINC000280860379 426671771 /nfs/dbraw/zinc/67/17/71/426671771.db2.gz YSAGECXBMBATDX-UHFFFAOYSA-N 1 2 319.361 2.584 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000273503162 426677030 /nfs/dbraw/zinc/67/70/30/426677030.db2.gz ZCRLPAHIMNNQBH-UHFFFAOYSA-N 1 2 317.311 2.583 20 5 DFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC=C(C)C2)c([N+](=O)[O-])c1 ZINC000280935844 426689002 /nfs/dbraw/zinc/68/90/02/426689002.db2.gz VQRKPDXSBRPIFQ-UHFFFAOYSA-N 1 2 319.361 2.584 20 5 DFBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC=C(C)C2)c([N+](=O)[O-])c1 ZINC000280935844 426689010 /nfs/dbraw/zinc/68/90/10/426689010.db2.gz VQRKPDXSBRPIFQ-UHFFFAOYSA-N 1 2 319.361 2.584 20 5 DFBDLO C[C@@H](c1nccs1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000274341568 426749423 /nfs/dbraw/zinc/74/94/23/426749423.db2.gz ZABSXHQFAIVTCH-LBPRGKRZSA-N 1 2 318.402 2.935 20 5 DFBDLO CC(C)c1ccc(C(=O)N2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000189318750 426838576 /nfs/dbraw/zinc/83/85/76/426838576.db2.gz JLPLXVPMUNSNFN-UHFFFAOYSA-N 1 2 317.389 2.638 20 5 DFBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)n1 ZINC000267301023 426867674 /nfs/dbraw/zinc/86/76/74/426867674.db2.gz CTZJUZVQNXMUQX-ZDUSSCGKSA-N 1 2 306.753 2.892 20 5 DFBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H]2c2ccc(Cl)cc2)n1 ZINC000267301023 426867678 /nfs/dbraw/zinc/86/76/78/426867678.db2.gz CTZJUZVQNXMUQX-ZDUSSCGKSA-N 1 2 306.753 2.892 20 5 DFBDLO CCC[C@H]([NH2+][C@H](C)c1ncn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000275692712 426900294 /nfs/dbraw/zinc/90/02/94/426900294.db2.gz JRDFDEIOGXJBAX-RISCZKNCSA-N 1 2 303.366 2.915 20 5 DFBDLO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)[nH]1 ZINC000268424927 427012252 /nfs/dbraw/zinc/01/22/52/427012252.db2.gz DMWIFZBMEKKZTI-LBPRGKRZSA-N 1 2 319.340 2.540 20 5 DFBDLO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)[nH]1 ZINC000268424927 427012254 /nfs/dbraw/zinc/01/22/54/427012254.db2.gz DMWIFZBMEKKZTI-LBPRGKRZSA-N 1 2 319.340 2.540 20 5 DFBDLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)n1 ZINC000268424927 427012262 /nfs/dbraw/zinc/01/22/62/427012262.db2.gz DMWIFZBMEKKZTI-LBPRGKRZSA-N 1 2 319.340 2.540 20 5 DFBDLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)n1 ZINC000268424927 427012266 /nfs/dbraw/zinc/01/22/66/427012266.db2.gz DMWIFZBMEKKZTI-LBPRGKRZSA-N 1 2 319.340 2.540 20 5 DFBDLO Cc1nc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)n[nH]1 ZINC000268424927 427012271 /nfs/dbraw/zinc/01/22/71/427012271.db2.gz DMWIFZBMEKKZTI-LBPRGKRZSA-N 1 2 319.340 2.540 20 5 DFBDLO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)n[nH]1 ZINC000268424927 427012274 /nfs/dbraw/zinc/01/22/74/427012274.db2.gz DMWIFZBMEKKZTI-LBPRGKRZSA-N 1 2 319.340 2.540 20 5 DFBDLO Cc1sc(C(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)cc1[N+](=O)[O-] ZINC000276359444 427046855 /nfs/dbraw/zinc/04/68/55/427046855.db2.gz AAPHRMLWCBTWDL-NSHDSACASA-N 1 2 308.363 2.815 20 5 DFBDLO CC(=O)c1cc(N2CCC(n3cc[nH+]c3)CC2)ccc1[N+](=O)[O-] ZINC000283756196 427069418 /nfs/dbraw/zinc/06/94/18/427069418.db2.gz LZNZZZBEOQZYDP-UHFFFAOYSA-N 1 2 314.345 2.835 20 5 DFBDLO COCCN(C)c1ccc(/C=C/c2ccc([N+](=O)[O-])cn2)c[nH+]1 ZINC000276582262 427107552 /nfs/dbraw/zinc/10/75/52/427107552.db2.gz FJQPVBMOIOBZBW-HWKANZROSA-N 1 2 314.345 2.638 20 5 DFBDLO CC(C)([NH2+]Cc1cn2cccnc2n1)c1ccccc1[N+](=O)[O-] ZINC000292153703 427113336 /nfs/dbraw/zinc/11/33/36/427113336.db2.gz NUNLKWWQZALDOJ-UHFFFAOYSA-N 1 2 311.345 2.662 20 5 DFBDLO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2nnnn2C2CC2)cc1[N+](=O)[O-] ZINC000190619193 427147737 /nfs/dbraw/zinc/14/77/37/427147737.db2.gz KPCJOGOBVPUUAT-QWRGUYRKSA-N 1 2 316.365 2.636 20 5 DFBDLO CCc1cc(NC[C@@H](O)CC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000292307788 427165631 /nfs/dbraw/zinc/16/56/31/427165631.db2.gz OCRFIPOHKWOGFJ-AWEZNQCLSA-N 1 2 316.361 2.797 20 5 DFBDLO C[C@H]([NH2+]Cc1nnc(C(C)(C)C)[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000296538222 427215579 /nfs/dbraw/zinc/21/55/79/427215579.db2.gz DVJSYOLIWDFIEI-JTQLQIEISA-N 1 2 303.366 2.861 20 5 DFBDLO CC(C)c1nnc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1C ZINC000285446841 427233773 /nfs/dbraw/zinc/23/37/73/427233773.db2.gz YCNXHHYTHLDJEK-UHFFFAOYSA-N 1 2 317.393 2.521 20 5 DFBDLO CC(C)c1nnc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1C ZINC000285446841 427233785 /nfs/dbraw/zinc/23/37/85/427233785.db2.gz YCNXHHYTHLDJEK-UHFFFAOYSA-N 1 2 317.393 2.521 20 5 DFBDLO Cc1nnc([C@@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000285450793 427235630 /nfs/dbraw/zinc/23/56/30/427235630.db2.gz YMFFOXDMQILFDC-SNVBAGLBSA-N 1 2 306.391 2.990 20 5 DFBDLO Cc1nnc([C@@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000285450793 427235637 /nfs/dbraw/zinc/23/56/37/427235637.db2.gz YMFFOXDMQILFDC-SNVBAGLBSA-N 1 2 306.391 2.990 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2CCC(CCCO)CC2)c(F)c1 ZINC000285479210 427242901 /nfs/dbraw/zinc/24/29/01/427242901.db2.gz CODCADGRLRZZJX-UHFFFAOYSA-N 1 2 314.332 2.858 20 5 DFBDLO O=[N+]([O-])c1ccc2nc(NCc3cn4ccccc4[nH+]3)ccc2c1 ZINC000338371749 427286729 /nfs/dbraw/zinc/28/67/29/427286729.db2.gz OMKPUJYTFNRDBZ-UHFFFAOYSA-N 1 2 319.324 3.403 20 5 DFBDLO Cc1noc([C@@H]2CCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])n1 ZINC000285561345 427274271 /nfs/dbraw/zinc/27/42/71/427274271.db2.gz HGVMYKVFWISMOX-ZDUSSCGKSA-N 1 2 318.333 2.502 20 5 DFBDLO Cc1noc([C@@H]2CCC[N@H+]2CCOc2ccccc2[N+](=O)[O-])n1 ZINC000285561345 427274273 /nfs/dbraw/zinc/27/42/73/427274273.db2.gz HGVMYKVFWISMOX-ZDUSSCGKSA-N 1 2 318.333 2.502 20 5 DFBDLO COC[C@@H]1CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293456025 427330794 /nfs/dbraw/zinc/33/07/94/427330794.db2.gz CWWUMYNPCKEXGH-NSHDSACASA-N 1 2 304.268 2.834 20 5 DFBDLO COC[C@@H]1CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293456025 427330800 /nfs/dbraw/zinc/33/08/00/427330800.db2.gz CWWUMYNPCKEXGH-NSHDSACASA-N 1 2 304.268 2.834 20 5 DFBDLO O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000269861913 427294783 /nfs/dbraw/zinc/29/47/83/427294783.db2.gz JIRMPAMAEPVCAI-NSHDSACASA-N 1 2 319.752 2.729 20 5 DFBDLO Cc1ccn(Cc2ccc(C(C)C)[nH+]c2C)c(=O)c1[N+](=O)[O-] ZINC000338554032 427376756 /nfs/dbraw/zinc/37/67/56/427376756.db2.gz FHGMWZBOBPUJMA-UHFFFAOYSA-N 1 2 301.346 2.940 20 5 DFBDLO COC(=O)[C@@H](C)[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C1CCC1 ZINC000191641794 427396013 /nfs/dbraw/zinc/39/60/13/427396013.db2.gz KVUZPBIWIVROGX-GFCCVEGCSA-N 1 2 306.362 2.819 20 5 DFBDLO COC(=O)[C@@H](C)[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C1CCC1 ZINC000191641794 427396018 /nfs/dbraw/zinc/39/60/18/427396018.db2.gz KVUZPBIWIVROGX-GFCCVEGCSA-N 1 2 306.362 2.819 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+](CCO)Cc2ccccc2)c(F)c1 ZINC000285869205 427360411 /nfs/dbraw/zinc/36/04/11/427360411.db2.gz DYGJXQQQEQKHOA-UHFFFAOYSA-N 1 2 322.311 2.868 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+](CCO)Cc2ccccc2)c(F)c1 ZINC000285869205 427360415 /nfs/dbraw/zinc/36/04/15/427360415.db2.gz DYGJXQQQEQKHOA-UHFFFAOYSA-N 1 2 322.311 2.868 20 5 DFBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000297788619 427453864 /nfs/dbraw/zinc/45/38/64/427453864.db2.gz REWBYJQJYPSWCZ-ZDUSSCGKSA-N 1 2 314.345 2.552 20 5 DFBDLO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccco1 ZINC000184523775 427480154 /nfs/dbraw/zinc/48/01/54/427480154.db2.gz DBXCOPOZCWUSBB-CYBMUJFWSA-N 1 2 306.318 2.674 20 5 DFBDLO Nc1c(F)c(NCCc2[nH]c3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000338635605 427419888 /nfs/dbraw/zinc/41/98/88/427419888.db2.gz LIVUOZDIKKDPJR-UHFFFAOYSA-N 1 2 315.308 2.847 20 5 DFBDLO CO[C@H](C)CN(C)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000286403908 427515753 /nfs/dbraw/zinc/51/57/53/427515753.db2.gz NMNZMUHZIQICJN-GFCCVEGCSA-N 1 2 316.361 2.831 20 5 DFBDLO CC(C)[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000338882792 427538685 /nfs/dbraw/zinc/53/86/85/427538685.db2.gz JCLQPMDSAKJPPS-GFCCVEGCSA-N 1 2 306.297 2.584 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000332436313 427612321 /nfs/dbraw/zinc/61/23/21/427612321.db2.gz GUTHEZFBAIZNDH-INIZCTEOSA-N 1 2 306.362 2.691 20 5 DFBDLO COCC[C@H]1CCCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000332305190 427573554 /nfs/dbraw/zinc/57/35/54/427573554.db2.gz LGSPEMDGRJENAX-CYBMUJFWSA-N 1 2 308.378 2.939 20 5 DFBDLO COCC[C@H]1CCCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000332305190 427573559 /nfs/dbraw/zinc/57/35/59/427573559.db2.gz LGSPEMDGRJENAX-CYBMUJFWSA-N 1 2 308.378 2.939 20 5 DFBDLO CN(CC[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000338983134 427606948 /nfs/dbraw/zinc/60/69/48/427606948.db2.gz SGTHMDBEGCTODE-UHFFFAOYSA-N 1 2 315.373 2.869 20 5 DFBDLO CN(CC[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000338983134 427606956 /nfs/dbraw/zinc/60/69/56/427606956.db2.gz SGTHMDBEGCTODE-UHFFFAOYSA-N 1 2 315.373 2.869 20 5 DFBDLO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000279310532 427636053 /nfs/dbraw/zinc/63/60/53/427636053.db2.gz NAPVHGVUOURSMD-BZNIZROVSA-N 1 2 306.362 2.603 20 5 DFBDLO COc1ccc(C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000279310532 427636057 /nfs/dbraw/zinc/63/60/57/427636057.db2.gz NAPVHGVUOURSMD-BZNIZROVSA-N 1 2 306.362 2.603 20 5 DFBDLO Cc1nnc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])n1C1CC1 ZINC000342289158 271982588 /nfs/dbraw/zinc/98/25/88/271982588.db2.gz BJHNJJVVAAVXKB-JTQLQIEISA-N 1 2 301.350 2.680 20 5 DFBDLO C[C@H](Nc1ncnc2c1C[N@H+](C)CC2)c1ccc([N+](=O)[O-])cc1 ZINC000294868276 427663070 /nfs/dbraw/zinc/66/30/70/427663070.db2.gz DVTCRDIOLWJQPQ-NSHDSACASA-N 1 2 313.361 2.546 20 5 DFBDLO C[C@H](Nc1ncnc2c1C[N@@H+](C)CC2)c1ccc([N+](=O)[O-])cc1 ZINC000294868276 427663077 /nfs/dbraw/zinc/66/30/77/427663077.db2.gz DVTCRDIOLWJQPQ-NSHDSACASA-N 1 2 313.361 2.546 20 5 DFBDLO Cc1[nH]c2ccc(Cn3cc(Cl)cc([N+](=O)[O-])c3=O)cc2[nH+]1 ZINC000342653933 272036282 /nfs/dbraw/zinc/03/62/82/272036282.db2.gz LSIWCPLUHUGAQA-UHFFFAOYSA-N 1 2 318.720 2.643 20 5 DFBDLO Cc1[nH]c2cc(Cn3cc(Cl)cc([N+](=O)[O-])c3=O)ccc2[nH+]1 ZINC000342653933 272036283 /nfs/dbraw/zinc/03/62/83/272036283.db2.gz LSIWCPLUHUGAQA-UHFFFAOYSA-N 1 2 318.720 2.643 20 5 DFBDLO CC1(C)COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000342952056 272070463 /nfs/dbraw/zinc/07/04/63/272070463.db2.gz VCZHZQKSZDGEMW-UHFFFAOYSA-N 1 2 313.785 2.771 20 5 DFBDLO CC1(C)COCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000342952056 272070465 /nfs/dbraw/zinc/07/04/65/272070465.db2.gz VCZHZQKSZDGEMW-UHFFFAOYSA-N 1 2 313.785 2.771 20 5 DFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000295046521 427671841 /nfs/dbraw/zinc/67/18/41/427671841.db2.gz AHEYJEMRPQEGKB-IAQYHMDHSA-N 1 2 309.341 2.746 20 5 DFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@](C)(F)C1 ZINC000295046521 427671849 /nfs/dbraw/zinc/67/18/49/427671849.db2.gz AHEYJEMRPQEGKB-IAQYHMDHSA-N 1 2 309.341 2.746 20 5 DFBDLO Cn1cc[nH+]c1[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])C1CC1 ZINC000343255946 272106064 /nfs/dbraw/zinc/10/60/64/272106064.db2.gz PHKFAJNHVHVYQG-VIFPVBQESA-N 1 2 318.362 2.601 20 5 DFBDLO Cc1ccc(C[N@H+](CCO)Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000339081963 427667635 /nfs/dbraw/zinc/66/76/35/427667635.db2.gz PRCOJBDUKBINHX-UHFFFAOYSA-N 1 2 316.357 2.603 20 5 DFBDLO Cc1ccc(C[N@@H+](CCO)Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000339081963 427667637 /nfs/dbraw/zinc/66/76/37/427667637.db2.gz PRCOJBDUKBINHX-UHFFFAOYSA-N 1 2 316.357 2.603 20 5 DFBDLO C[C@]1(F)CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000295050593 427673643 /nfs/dbraw/zinc/67/36/43/427673643.db2.gz AQDRDHFFGQAVSK-HNNXBMFYSA-N 1 2 320.324 2.969 20 5 DFBDLO C[C@]1(F)CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000295050593 427673648 /nfs/dbraw/zinc/67/36/48/427673648.db2.gz AQDRDHFFGQAVSK-HNNXBMFYSA-N 1 2 320.324 2.969 20 5 DFBDLO Cc1cc[nH+]c(C)c1NC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000287702159 427674197 /nfs/dbraw/zinc/67/41/97/427674197.db2.gz ZQBVWGUPPWGIFZ-UHFFFAOYSA-N 1 2 314.345 2.971 20 5 DFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000343531813 272166264 /nfs/dbraw/zinc/16/62/64/272166264.db2.gz AYNBTQATDJXXDY-UHFFFAOYSA-N 1 2 320.374 2.702 20 5 DFBDLO O=[N+]([O-])c1ccc(N2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)cn1 ZINC000343697354 272203554 /nfs/dbraw/zinc/20/35/54/272203554.db2.gz YXYAIKUIIWMRDS-AWEZNQCLSA-N 1 2 313.361 2.933 20 5 DFBDLO C[C@H]1CC[C@H]1Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000343816739 272225072 /nfs/dbraw/zinc/22/50/72/272225072.db2.gz XKWNHHHRMYKINK-GXTWGEPZSA-N 1 2 305.378 2.637 20 5 DFBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000344212733 272288991 /nfs/dbraw/zinc/28/89/91/272288991.db2.gz MUXCOGLOERUPGY-ZDUSSCGKSA-N 1 2 318.308 2.824 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000298723130 427687014 /nfs/dbraw/zinc/68/70/14/427687014.db2.gz LJIDWYOXTATCFC-HOCLYGCPSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000298723130 427687019 /nfs/dbraw/zinc/68/70/19/427687019.db2.gz LJIDWYOXTATCFC-HOCLYGCPSA-N 1 2 306.362 2.747 20 5 DFBDLO Cc1cc([NH+]2CCCC2)ccc1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000301179003 427780113 /nfs/dbraw/zinc/78/01/13/427780113.db2.gz YIJMUIKXSFKZOU-UHFFFAOYSA-N 1 2 314.349 2.619 20 5 DFBDLO COc1cc([C@@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])ccn1 ZINC000339207019 427732295 /nfs/dbraw/zinc/73/22/95/427732295.db2.gz ZVULEOSBAJEDOP-SNVBAGLBSA-N 1 2 303.318 2.555 20 5 DFBDLO Nc1nc(N2CCc3ccc([N+](=O)[O-])cc3C2)[nH+]c2ccccc12 ZINC000301774925 427823660 /nfs/dbraw/zinc/82/36/60/427823660.db2.gz KTVXIFPXZVKGCQ-UHFFFAOYSA-N 1 2 321.340 2.683 20 5 DFBDLO Cc1c[nH+]ccc1CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301822125 427826839 /nfs/dbraw/zinc/82/68/39/427826839.db2.gz GZQJCKMUGMBFSW-UHFFFAOYSA-N 1 2 302.290 2.861 20 5 DFBDLO COc1ccc([C@@H](C)[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000355658749 427838240 /nfs/dbraw/zinc/83/82/40/427838240.db2.gz MKYWSVAUSPTIIP-LLVKDONJSA-N 1 2 304.350 2.530 20 5 DFBDLO COc1ccc([C@@H](C)[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000355658749 427838252 /nfs/dbraw/zinc/83/82/52/427838252.db2.gz MKYWSVAUSPTIIP-LLVKDONJSA-N 1 2 304.350 2.530 20 5 DFBDLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355786515 427895435 /nfs/dbraw/zinc/89/54/35/427895435.db2.gz MVYRYORGKZHKFS-VIFPVBQESA-N 1 2 310.304 2.800 20 5 DFBDLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355786515 427895439 /nfs/dbraw/zinc/89/54/39/427895439.db2.gz MVYRYORGKZHKFS-VIFPVBQESA-N 1 2 310.304 2.800 20 5 DFBDLO Cn1ccc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)n1 ZINC000345865134 427933942 /nfs/dbraw/zinc/93/39/42/427933942.db2.gz YWRGSWNPMODPOG-UHFFFAOYSA-N 1 2 312.329 2.878 20 5 DFBDLO CCNc1ccc(C(=O)Nc2cc[nH+]cc2CC)cc1[N+](=O)[O-] ZINC000340883330 427944466 /nfs/dbraw/zinc/94/44/66/427944466.db2.gz TTXJIEDQSKJCOK-UHFFFAOYSA-N 1 2 314.345 2.658 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCCO[C@@H](CF)C3)c2c1 ZINC000413485406 428061771 /nfs/dbraw/zinc/06/17/71/428061771.db2.gz UGHPQOQRSPTBKJ-ZDUSSCGKSA-N 1 2 305.309 2.708 20 5 DFBDLO Cc1ccc(Cc2noc(Cc3cccc([N+](=O)[O-])c3)n2)c[nH+]1 ZINC000356111114 428025819 /nfs/dbraw/zinc/02/58/19/428025819.db2.gz NPLOHQNUQBZBIG-UHFFFAOYSA-N 1 2 310.313 2.863 20 5 DFBDLO Cc1cc(N2CC[NH+](Cc3ccco3)CC2)c(F)cc1[N+](=O)[O-] ZINC000359843976 428041715 /nfs/dbraw/zinc/04/17/15/428041715.db2.gz RMGKZXINBHJTJU-UHFFFAOYSA-N 1 2 319.336 2.958 20 5 DFBDLO CCOCCOCCN(C)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413261422 428005761 /nfs/dbraw/zinc/00/57/61/428005761.db2.gz SGPMUMMRJBXYRR-UHFFFAOYSA-N 1 2 319.361 2.632 20 5 DFBDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@]2(CCOC2)O1 ZINC000370157556 428146292 /nfs/dbraw/zinc/14/62/92/428146292.db2.gz AQGVAHJQJJGPNM-XJKSGUPXSA-N 1 2 324.352 2.504 20 5 DFBDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@]2(CCOC2)O1 ZINC000370157556 428146297 /nfs/dbraw/zinc/14/62/97/428146297.db2.gz AQGVAHJQJJGPNM-XJKSGUPXSA-N 1 2 324.352 2.504 20 5 DFBDLO Cc1cn2c([nH+]1)CN(c1cc(C)nc3c1cccc3[N+](=O)[O-])CC2 ZINC000371705459 428399817 /nfs/dbraw/zinc/39/98/17/428399817.db2.gz CXXFEQTZCKQFRQ-UHFFFAOYSA-N 1 2 323.356 2.977 20 5 DFBDLO Cc1cc(N2CCc3c([nH+]cn3C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000378460006 428400649 /nfs/dbraw/zinc/40/06/49/428400649.db2.gz VHPZDRZQDMNXSU-UHFFFAOYSA-N 1 2 323.356 2.748 20 5 DFBDLO Cc1ccn2cc(CNC(=O)c3cccc(C)c3[N+](=O)[O-])[nH+]c2c1 ZINC000342271321 428375640 /nfs/dbraw/zinc/37/56/40/428375640.db2.gz LCNWYCVYIPBTEX-UHFFFAOYSA-N 1 2 324.340 2.789 20 5 DFBDLO Cc1nc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c2n1CCCC2 ZINC000378397710 428386442 /nfs/dbraw/zinc/38/64/42/428386442.db2.gz QKPIEZGETJWHRI-UHFFFAOYSA-N 1 2 300.362 2.726 20 5 DFBDLO CC[N@H+](CC(=O)OC)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000353284320 428467593 /nfs/dbraw/zinc/46/75/93/428467593.db2.gz BGIJLAAOWPGEQO-UHFFFAOYSA-N 1 2 318.329 2.850 20 5 DFBDLO CC[N@@H+](CC(=O)OC)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000353284320 428467596 /nfs/dbraw/zinc/46/75/96/428467596.db2.gz BGIJLAAOWPGEQO-UHFFFAOYSA-N 1 2 318.329 2.850 20 5 DFBDLO CC(C)c1ccc(C[N@@H+]2CCNC(=O)[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000353284236 428468611 /nfs/dbraw/zinc/46/86/11/428468611.db2.gz UOGBKHHSIGBYLV-INIZCTEOSA-N 1 2 319.405 2.675 20 5 DFBDLO CC(C)c1ccc(C[N@H+]2CCNC(=O)[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000353284236 428468615 /nfs/dbraw/zinc/46/86/15/428468615.db2.gz UOGBKHHSIGBYLV-INIZCTEOSA-N 1 2 319.405 2.675 20 5 DFBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1[nH]c[nH+]c1C ZINC000360938233 428498315 /nfs/dbraw/zinc/49/83/15/428498315.db2.gz SAACRNJCSQWBNL-CYBMUJFWSA-N 1 2 316.361 2.511 20 5 DFBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@](C)(F)C2)cccc1[N+](=O)[O-] ZINC000347343822 428556387 /nfs/dbraw/zinc/55/63/87/428556387.db2.gz HKGGUBMDEWEINX-NHYWBVRUSA-N 1 2 309.341 2.664 20 5 DFBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@](C)(F)C2)cccc1[N+](=O)[O-] ZINC000347343822 428556394 /nfs/dbraw/zinc/55/63/94/428556394.db2.gz HKGGUBMDEWEINX-NHYWBVRUSA-N 1 2 309.341 2.664 20 5 DFBDLO Cc1ccc(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)c(C)[nH+]1 ZINC000358857472 428706929 /nfs/dbraw/zinc/70/69/29/428706929.db2.gz MIONIKBQUAGUJX-UHFFFAOYSA-N 1 2 309.329 2.913 20 5 DFBDLO Cc1cn2c([nH+]1)CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)CC2 ZINC000374699319 428734485 /nfs/dbraw/zinc/73/44/85/428734485.db2.gz SZDQFGMWHNRKSQ-UHFFFAOYSA-N 1 2 306.753 2.769 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000359089673 428811854 /nfs/dbraw/zinc/81/18/54/428811854.db2.gz DDPZEBUGTQAYHB-RISCZKNCSA-N 1 2 315.377 2.891 20 5 DFBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccc2[nH+]ccn2c1 ZINC000359145351 428838992 /nfs/dbraw/zinc/83/89/92/428838992.db2.gz UAXHHKUULVISBF-UHFFFAOYSA-N 1 2 324.340 2.557 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000363323463 428907597 /nfs/dbraw/zinc/90/75/97/428907597.db2.gz YSIAKWDTRJDLAI-HOCLYGCPSA-N 1 2 306.362 2.747 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000363323463 428907601 /nfs/dbraw/zinc/90/76/01/428907601.db2.gz YSIAKWDTRJDLAI-HOCLYGCPSA-N 1 2 306.362 2.747 20 5 DFBDLO Cc1nc([C@@](C)([NH2+]Cc2cccc([N+](=O)[O-])c2)C2CC2)no1 ZINC000433287640 429018168 /nfs/dbraw/zinc/01/81/68/429018168.db2.gz MAOUHEJLMHBOGQ-HNNXBMFYSA-N 1 2 302.334 2.701 20 5 DFBDLO Cc1nc([C@H]2CCC[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)no1 ZINC000363852697 429000138 /nfs/dbraw/zinc/00/01/38/429000138.db2.gz ZDMZFLXQJOAZEC-CQSZACIVSA-N 1 2 318.333 2.502 20 5 DFBDLO Cc1nc([C@H]2CCC[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)no1 ZINC000363852697 429000144 /nfs/dbraw/zinc/00/01/44/429000144.db2.gz ZDMZFLXQJOAZEC-CQSZACIVSA-N 1 2 318.333 2.502 20 5 DFBDLO CCOc1cc(C[N@@H+]2CCO[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000375982333 429034302 /nfs/dbraw/zinc/03/43/02/429034302.db2.gz XSPKZKFKNJERPA-INIZCTEOSA-N 1 2 306.362 2.604 20 5 DFBDLO CCOc1cc(C[N@H+]2CCO[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000375982333 429034309 /nfs/dbraw/zinc/03/43/09/429034309.db2.gz XSPKZKFKNJERPA-INIZCTEOSA-N 1 2 306.362 2.604 20 5 DFBDLO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000349576348 429006828 /nfs/dbraw/zinc/00/68/28/429006828.db2.gz FANXUFWFSOCXDX-MRXNPFEDSA-N 1 2 301.346 2.976 20 5 DFBDLO Cn1cccc1[C@H]1CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000349576348 429006833 /nfs/dbraw/zinc/00/68/33/429006833.db2.gz FANXUFWFSOCXDX-MRXNPFEDSA-N 1 2 301.346 2.976 20 5 DFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425518615 429315475 /nfs/dbraw/zinc/31/54/75/429315475.db2.gz VSEITIKOKLEHIN-LLVKDONJSA-N 1 2 321.768 2.677 20 5 DFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425518615 429315478 /nfs/dbraw/zinc/31/54/78/429315478.db2.gz VSEITIKOKLEHIN-LLVKDONJSA-N 1 2 321.768 2.677 20 5 DFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000492242747 429494621 /nfs/dbraw/zinc/49/46/21/429494621.db2.gz USIZAWZIJGRTOK-LLVKDONJSA-N 1 2 321.768 2.677 20 5 DFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000492242747 429494624 /nfs/dbraw/zinc/49/46/24/429494624.db2.gz USIZAWZIJGRTOK-LLVKDONJSA-N 1 2 321.768 2.677 20 5 DFBDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000492251431 429496828 /nfs/dbraw/zinc/49/68/28/429496828.db2.gz KLFWGDHWGYKTKI-SREVYHEPSA-N 1 2 300.318 2.772 20 5 DFBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@]2(CCCOC2)O1 ZINC000367222505 429599815 /nfs/dbraw/zinc/59/98/15/429599815.db2.gz BCVHHCZIQSYYIY-MLGOLLRUSA-N 1 2 324.352 2.504 20 5 DFBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@]2(CCCOC2)O1 ZINC000367222505 429599820 /nfs/dbraw/zinc/59/98/20/429599820.db2.gz BCVHHCZIQSYYIY-MLGOLLRUSA-N 1 2 324.352 2.504 20 5 DFBDLO COC(=O)[C@@H](CC(C)C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000451262491 429799967 /nfs/dbraw/zinc/79/99/67/429799967.db2.gz LBGLZFBTVICNKC-CQSZACIVSA-N 1 2 324.377 2.623 20 5 DFBDLO COC(=O)[C@@H](CC(C)C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000451262491 429799970 /nfs/dbraw/zinc/79/99/70/429799970.db2.gz LBGLZFBTVICNKC-CQSZACIVSA-N 1 2 324.377 2.623 20 5 DFBDLO O=[N+]([O-])c1cccc(Cl)c1N1CCN(c2cccc[nH+]2)CC1 ZINC000432341557 429816486 /nfs/dbraw/zinc/81/64/86/429816486.db2.gz AYHLIRHYVPYCOP-UHFFFAOYSA-N 1 2 318.764 2.970 20 5 DFBDLO CC1(C)C[N@H+](CCNc2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000432320067 429812960 /nfs/dbraw/zinc/81/29/60/429812960.db2.gz LPQKLDQELXVPNL-UHFFFAOYSA-N 1 2 313.785 2.771 20 5 DFBDLO CC1(C)C[N@@H+](CCNc2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000432320067 429812962 /nfs/dbraw/zinc/81/29/62/429812962.db2.gz LPQKLDQELXVPNL-UHFFFAOYSA-N 1 2 313.785 2.771 20 5 DFBDLO Cc1cc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc([N+](=O)[O-])c1 ZINC000368929310 429902590 /nfs/dbraw/zinc/90/25/90/429902590.db2.gz BBQRFQWIEYWSRH-LBPRGKRZSA-N 1 2 314.345 2.646 20 5 DFBDLO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c2C1 ZINC000368948459 429903445 /nfs/dbraw/zinc/90/34/45/429903445.db2.gz JUNKORYTAYIEPT-CZUORRHYSA-N 1 2 317.389 2.652 20 5 DFBDLO CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c2C1 ZINC000368948459 429903447 /nfs/dbraw/zinc/90/34/47/429903447.db2.gz JUNKORYTAYIEPT-CZUORRHYSA-N 1 2 317.389 2.652 20 5 DFBDLO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H](C2CC2)O1 ZINC000369290198 429922550 /nfs/dbraw/zinc/92/25/50/429922550.db2.gz JOSUZPYEAKUCRP-MEBBXXQBSA-N 1 2 317.345 2.735 20 5 DFBDLO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H](C2CC2)O1 ZINC000369290198 429922551 /nfs/dbraw/zinc/92/25/51/429922551.db2.gz JOSUZPYEAKUCRP-MEBBXXQBSA-N 1 2 317.345 2.735 20 5 DFBDLO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000088559692 276702917 /nfs/dbraw/zinc/70/29/17/276702917.db2.gz DHSCKARXGQEYDR-RISCZKNCSA-N 1 2 315.377 2.934 20 5 DFBDLO C[C@H](C(=O)NCc1cn2ccccc2[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000559338521 430004995 /nfs/dbraw/zinc/00/49/95/430004995.db2.gz PQEGTRGLLUWJNN-LBPRGKRZSA-N 1 2 324.340 2.662 20 5 DFBDLO CC(=O)c1ccc(N2CCC[C@H]2c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000374780430 277111052 /nfs/dbraw/zinc/11/10/52/277111052.db2.gz MVTPJAYUFDJELE-ZDUSSCGKSA-N 1 2 300.318 2.862 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@H](OC(F)F)C3)c2c1 ZINC000584159729 430464632 /nfs/dbraw/zinc/46/46/32/430464632.db2.gz ZEWJLURDWBOZLW-NSHDSACASA-N 1 2 309.272 2.961 20 5 DFBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000584211284 430469666 /nfs/dbraw/zinc/46/96/66/430469666.db2.gz QJQWKDDNWKXFGH-NSHDSACASA-N 1 2 313.785 2.689 20 5 DFBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1NCC[N@H+]1CCO[C@@H](C)C1 ZINC000584211284 430469671 /nfs/dbraw/zinc/46/96/71/430469671.db2.gz QJQWKDDNWKXFGH-NSHDSACASA-N 1 2 313.785 2.689 20 5 DFBDLO CC[C@@H]([NH2+][C@H](C)c1nccc(N)n1)c1cccc([N+](=O)[O-])c1 ZINC000593969607 430499903 /nfs/dbraw/zinc/49/99/03/430499903.db2.gz BGVRZUFFLWVTFN-ZWNOBZJWSA-N 1 2 301.350 2.769 20 5 DFBDLO C[C@@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])[C@H]1C ZINC000571746473 430649783 /nfs/dbraw/zinc/64/97/83/430649783.db2.gz CDMJRFOLDWBRKW-KGLIPLIRSA-N 1 2 319.405 2.662 20 5 DFBDLO Cc1cc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000120193661 278632855 /nfs/dbraw/zinc/63/28/55/278632855.db2.gz DKMSOZJDWHSCFO-CQSZACIVSA-N 1 2 314.345 2.994 20 5 DFBDLO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330456543 279067068 /nfs/dbraw/zinc/06/70/68/279067068.db2.gz PPOKEIXSQCDBRE-HOCLYGCPSA-N 1 2 308.378 2.984 20 5 DFBDLO Cc1nn(C)c(N2CCC(c3ccc(C)[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000374660883 279198445 /nfs/dbraw/zinc/19/84/45/279198445.db2.gz GRVBEGOGLRXGGB-UHFFFAOYSA-N 1 2 315.377 2.724 20 5 DFBDLO C[C@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@@H](c2ccco2)C1 ZINC000363355272 289082193 /nfs/dbraw/zinc/08/21/93/289082193.db2.gz FQAGAJCDKNKXAF-NWDGAFQWSA-N 1 2 304.350 2.895 20 5 DFBDLO C[C@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)[C@@H](c2ccco2)C1 ZINC000363355272 289082197 /nfs/dbraw/zinc/08/21/97/289082197.db2.gz FQAGAJCDKNKXAF-NWDGAFQWSA-N 1 2 304.350 2.895 20 5 DFBDLO Cc1cnc([C@@H](C)[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)o1 ZINC000332402803 292939719 /nfs/dbraw/zinc/93/97/19/292939719.db2.gz VAFYTKOIGXHFBP-CYBMUJFWSA-N 1 2 316.361 2.774 20 5 DFBDLO CC(C)c1ccc(C[NH2+][C@@H](C)c2ncn(C)n2)cc1[N+](=O)[O-] ZINC000436408833 297001741 /nfs/dbraw/zinc/00/17/41/297001741.db2.gz XHSKCCLVTOCPGH-NSHDSACASA-N 1 2 303.366 2.698 20 5 DFBDLO CCn1nccc1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154310712 295297055 /nfs/dbraw/zinc/29/70/55/295297055.db2.gz XNXVQCTZUBFACL-UHFFFAOYSA-N 1 2 300.362 2.976 20 5 DFBDLO CCn1nccc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154310712 295297056 /nfs/dbraw/zinc/29/70/56/295297056.db2.gz XNXVQCTZUBFACL-UHFFFAOYSA-N 1 2 300.362 2.976 20 5 DFBDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000158663954 295365961 /nfs/dbraw/zinc/36/59/61/295365961.db2.gz KLFWGDHWGYKTKI-VOTSOKGWSA-N 1 2 300.318 2.772 20 5 DFBDLO O=[N+]([O-])c1cccc(CC[NH2+][C@H](c2ncc[nH]2)c2ccccn2)c1 ZINC000447584101 297309587 /nfs/dbraw/zinc/30/95/87/297309587.db2.gz DTYSVOYJUNINMZ-INIZCTEOSA-N 1 2 323.356 2.635 20 5 DFBDLO CC[C@@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447812586 297318217 /nfs/dbraw/zinc/31/82/17/297318217.db2.gz MQQJTAKWMCRNPX-CQSZACIVSA-N 1 2 319.405 2.663 20 5 DFBDLO C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448559034 297343273 /nfs/dbraw/zinc/34/32/73/297343273.db2.gz RCPGVLWDTMVBNU-LBPRGKRZSA-N 1 2 314.345 2.653 20 5 DFBDLO C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448568939 297344122 /nfs/dbraw/zinc/34/41/22/297344122.db2.gz MRIHRRKBAGQSSW-LBPRGKRZSA-N 1 2 314.345 2.795 20 5 DFBDLO CN(CC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448870344 297377279 /nfs/dbraw/zinc/37/72/79/297377279.db2.gz BPFAYXXSTDJBMY-UHFFFAOYSA-N 1 2 316.361 2.899 20 5 DFBDLO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@H]1C ZINC000450047466 297580984 /nfs/dbraw/zinc/58/09/84/297580984.db2.gz VIWOIBCCSAHZGG-NEPJUHHUSA-N 1 2 314.345 2.651 20 5 DFBDLO Cc1c(C(=O)Nc2c[nH+]c3n2CCCC3)cccc1[N+](=O)[O-] ZINC000452336244 297959852 /nfs/dbraw/zinc/95/98/52/297959852.db2.gz UPYUETRMKKNTKR-UHFFFAOYSA-N 1 2 300.318 2.688 20 5 DFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000456386812 298515057 /nfs/dbraw/zinc/51/50/57/298515057.db2.gz NIHJEVIMMKJCAJ-LLVKDONJSA-N 1 2 302.334 2.611 20 5 DFBDLO Cc1cc(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(C)c[nH+]1 ZINC000534325512 301228813 /nfs/dbraw/zinc/22/88/13/301228813.db2.gz MNZLLRDDQKCVQJ-GFCCVEGCSA-N 1 2 314.345 2.911 20 5 DFBDLO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000539121166 301338260 /nfs/dbraw/zinc/33/82/60/301338260.db2.gz BWAPEEQRXCWCOX-IAQYHMDHSA-N 1 2 315.377 2.989 20 5 DFBDLO COc1c(O)cccc1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000540916557 301375164 /nfs/dbraw/zinc/37/51/64/301375164.db2.gz NBAALONLRIZXGM-UHFFFAOYSA-N 1 2 314.341 2.867 20 5 DFBDLO COc1c(O)cccc1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000540916557 301375166 /nfs/dbraw/zinc/37/51/66/301375166.db2.gz NBAALONLRIZXGM-UHFFFAOYSA-N 1 2 314.341 2.867 20 5 DFBDLO Cc1cc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c(C)c[nH+]1 ZINC000543450728 301430477 /nfs/dbraw/zinc/43/04/77/301430477.db2.gz UCIPYSLFYUDGLG-NSHDSACASA-N 1 2 317.320 2.910 20 5 DFBDLO C[C@H](C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21)c1cccc([N+](=O)[O-])c1 ZINC000560460109 301897479 /nfs/dbraw/zinc/89/74/79/301897479.db2.gz HNLPPBKYKBBOPU-SUNKGSAMSA-N 1 2 314.345 2.717 20 5 DFBDLO C[C@H](CC(=O)N1CCCc2ccc([N+](=O)[O-])cc21)n1cc[nH+]c1 ZINC000564660527 302148475 /nfs/dbraw/zinc/14/84/75/302148475.db2.gz JXCNEJIDQPBXHI-GFCCVEGCSA-N 1 2 314.345 2.722 20 5 DFBDLO O=[N+]([O-])c1cccc(-c2noc(Cc3cn4ccccc4[nH+]3)n2)c1 ZINC000349861176 316369566 /nfs/dbraw/zinc/36/95/66/316369566.db2.gz BDTFGDDQPBVMKI-UHFFFAOYSA-N 1 2 321.296 2.883 20 5 DFBDLO CC[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1[nH]cc[nH+]1 ZINC000442825368 316945218 /nfs/dbraw/zinc/94/52/18/316945218.db2.gz VEQHIMSZTQQWBM-LBPRGKRZSA-N 1 2 313.317 2.680 20 5 DFBDLO CCn1cc[nH+]c1[C@H]1CCCCN1c1ncc([N+](=O)[O-])c(C)n1 ZINC000450499907 317099451 /nfs/dbraw/zinc/09/94/51/317099451.db2.gz KCKKAAJRRUBCHC-GFCCVEGCSA-N 1 2 316.365 2.641 20 5 DFBDLO CC(C)[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000559039837 317888133 /nfs/dbraw/zinc/88/81/33/317888133.db2.gz YJTHJPRMGVBHRK-FZMZJTMJSA-N 1 2 316.361 2.935 20 5 DFBDLO Cc1cc(NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)c[nH+]1 ZINC000575839151 318086368 /nfs/dbraw/zinc/08/63/68/318086368.db2.gz NZFXTXPYPQHHCD-LBPRGKRZSA-N 1 2 314.345 2.911 20 5 DFBDLO Cc1c[nH+]c(CCNc2nc3sccn3c2[N+](=O)[O-])c(C)c1 ZINC000594595032 500991884 /nfs/dbraw/zinc/99/18/84/500991884.db2.gz FULVDAWRDYGRFV-UHFFFAOYSA-N 1 2 317.374 2.970 20 5 DFBDLO CC(C)(CCC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1)[N+](=O)[O-] ZINC000294356838 517396151 /nfs/dbraw/zinc/39/61/51/517396151.db2.gz ANPLQKUTUAOIEQ-UHFFFAOYSA-N 1 2 302.334 2.851 20 5 DFBDLO Cc1cc[nH+]cc1N1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000332481202 534424023 /nfs/dbraw/zinc/42/40/23/534424023.db2.gz UYIZQRAQYOBMOQ-UHFFFAOYSA-N 1 2 318.402 2.682 20 5 DFBDLO CC(C)c1nc(N2CCOc3ccc([N+](=O)[O-])cc3C2)cc[nH+]1 ZINC000357795034 534909030 /nfs/dbraw/zinc/90/90/30/534909030.db2.gz DJXAGMNVFCSQEH-UHFFFAOYSA-N 1 2 314.345 2.907 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)cs1 ZINC000156315918 527329677 /nfs/dbraw/zinc/32/96/77/527329677.db2.gz MEZNJVACBYUTQI-ZDUSSCGKSA-N 1 2 305.359 2.705 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](Oc3ccncc3)C2)cs1 ZINC000156315918 527329684 /nfs/dbraw/zinc/32/96/84/527329684.db2.gz MEZNJVACBYUTQI-ZDUSSCGKSA-N 1 2 305.359 2.705 20 5 DFBDLO CCn1cc[nH+]c1CNc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000362745877 536110900 /nfs/dbraw/zinc/11/09/00/536110900.db2.gz DXIQVYAIAHLGSS-UHFFFAOYSA-N 1 2 318.333 2.518 20 5 DFBDLO Cc1cc(NCCCCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000278273334 214060903 /nfs/dbraw/zinc/06/09/03/214060903.db2.gz AYAYGERADMZDEU-UHFFFAOYSA-N 1 2 302.334 2.545 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cc1F ZINC000278537079 214220581 /nfs/dbraw/zinc/22/05/81/214220581.db2.gz FWTAFVMPSYCFMJ-RYUDHWBXSA-N 1 2 322.258 2.622 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cc1F ZINC000278537079 214220585 /nfs/dbraw/zinc/22/05/85/214220585.db2.gz FWTAFVMPSYCFMJ-RYUDHWBXSA-N 1 2 322.258 2.622 20 5 DFBDLO Cc1c(C[NH2+]Cc2cn(C(C)(C)C)nn2)cccc1[N+](=O)[O-] ZINC000320136688 231191482 /nfs/dbraw/zinc/19/14/82/231191482.db2.gz UEBMHTSLAUQCFS-UHFFFAOYSA-N 1 2 303.366 2.540 20 5 DFBDLO CC[C@H]([NH2+]Cc1nn(CC)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000295863746 529638399 /nfs/dbraw/zinc/63/83/99/529638399.db2.gz WZVMUCXDHWHQNP-AWEZNQCLSA-N 1 2 303.366 2.756 20 5 DFBDLO CC[C@H](Nc1ncnc2sc([N+](=O)[O-])cc21)c1[nH]cc[nH+]1 ZINC000313705613 529682015 /nfs/dbraw/zinc/68/20/15/529682015.db2.gz HLHAZBMNMNCGAA-QMMMGPOBSA-N 1 2 304.335 2.886 20 5 DFBDLO Cc1nnc(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)n1C1CC1 ZINC000413227193 295688129 /nfs/dbraw/zinc/68/81/29/295688129.db2.gz FAPZVNDIBRGBDC-UHFFFAOYSA-N 1 2 324.344 2.990 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3C[C@@H]4C[C@H](O)CC[C@@H]4C3)c2c1 ZINC000596358833 398393642 /nfs/dbraw/zinc/39/36/42/398393642.db2.gz DAFFQPLOLLAPLQ-VNHYZAJKSA-N 1 2 313.357 2.740 20 5 DFBDLO CC(C)[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C1(CO)CC=CC1 ZINC000592177785 398397143 /nfs/dbraw/zinc/39/71/43/398397143.db2.gz QTVFLUYTWKNANJ-INIZCTEOSA-N 1 2 320.389 2.743 20 5 DFBDLO Cc1cc(NCCc2cn(C)c[nH+]2)c2cccc([N+](=O)[O-])c2n1 ZINC000413387690 295703886 /nfs/dbraw/zinc/70/38/86/295703886.db2.gz XOCJKDAHUJIPCZ-UHFFFAOYSA-N 1 2 311.345 2.840 20 5 DFBDLO CC[C@H]([NH2+]Cc1nnc(C2CC2)n1C)c1cccc([N+](=O)[O-])c1 ZINC000181527455 199312167 /nfs/dbraw/zinc/31/21/67/199312167.db2.gz IJSGZWZHMAZGBD-AWEZNQCLSA-N 1 2 315.377 2.842 20 5 DFBDLO CCc1nnc(C[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)n1C ZINC000181542458 199314883 /nfs/dbraw/zinc/31/48/83/199314883.db2.gz IKKZNLHSUGHUKJ-CYBMUJFWSA-N 1 2 303.366 2.527 20 5 DFBDLO Cn1cc[nH+]c1[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccccc1 ZINC000017590105 398404066 /nfs/dbraw/zinc/40/40/66/398404066.db2.gz SJHQWYPYWSQGKU-AWEZNQCLSA-N 1 2 309.329 2.925 20 5 DFBDLO Cc1cc(C[NH+]2CCN(c3cc(C)ccc3[N+](=O)[O-])CC2)on1 ZINC000088699142 398440135 /nfs/dbraw/zinc/44/01/35/398440135.db2.gz XSKBPHLKNFYUHF-UHFFFAOYSA-N 1 2 316.361 2.522 20 5 DFBDLO CCOC1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000585726735 398442053 /nfs/dbraw/zinc/44/20/53/398442053.db2.gz DXCIBMNARHWMML-UHFFFAOYSA-N 1 2 300.305 2.874 20 5 DFBDLO Cc1cc(N[C@H](C)CCCO)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000088758269 398441468 /nfs/dbraw/zinc/44/14/68/398441468.db2.gz GRAFEOUKYCIUKP-LLVKDONJSA-N 1 2 316.361 2.933 20 5 DFBDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026346591 282372831 /nfs/dbraw/zinc/37/28/31/282372831.db2.gz NFHIMWJCNFOYRH-HIFRSBDPSA-N 1 2 319.405 2.722 20 5 DFBDLO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026346591 282372832 /nfs/dbraw/zinc/37/28/32/282372832.db2.gz NFHIMWJCNFOYRH-HIFRSBDPSA-N 1 2 319.405 2.722 20 5 DFBDLO CC[C@H](NC(=O)C(C)(C)c1c[nH]c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000592770805 398483048 /nfs/dbraw/zinc/48/30/48/398483048.db2.gz DQAHEDLEDBRSDJ-ZDUSSCGKSA-N 1 2 316.361 2.863 20 5 DFBDLO CCn1c(C)nnc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181811401 199355455 /nfs/dbraw/zinc/35/54/55/199355455.db2.gz SYNFUTBVTOSUBC-NSHDSACASA-N 1 2 303.366 2.674 20 5 DFBDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000593058339 398534038 /nfs/dbraw/zinc/53/40/38/398534038.db2.gz LQCHAHFLHXOHGG-YPMHNXCESA-N 1 2 318.377 2.861 20 5 DFBDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000593058339 398534040 /nfs/dbraw/zinc/53/40/40/398534040.db2.gz LQCHAHFLHXOHGG-YPMHNXCESA-N 1 2 318.377 2.861 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000589200202 398536784 /nfs/dbraw/zinc/53/67/84/398536784.db2.gz WHMIPTKDDIFKFL-ZIAGYGMSSA-N 1 2 320.389 2.939 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000589200202 398536787 /nfs/dbraw/zinc/53/67/87/398536787.db2.gz WHMIPTKDDIFKFL-ZIAGYGMSSA-N 1 2 320.389 2.939 20 5 DFBDLO CCOC1CC([N@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286940278 219234723 /nfs/dbraw/zinc/23/47/23/219234723.db2.gz LWMXOVUIHWHTSK-UHFFFAOYSA-N 1 2 300.305 2.872 20 5 DFBDLO CCOC1CC([N@@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286940278 219234725 /nfs/dbraw/zinc/23/47/25/219234725.db2.gz LWMXOVUIHWHTSK-UHFFFAOYSA-N 1 2 300.305 2.872 20 5 DFBDLO CC[N@H+](Cc1ccoc1)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589497089 398557654 /nfs/dbraw/zinc/55/76/54/398557654.db2.gz OQUOHKFCXILLRP-UHFFFAOYSA-N 1 2 318.329 2.997 20 5 DFBDLO CC[N@@H+](Cc1ccoc1)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589497089 398557659 /nfs/dbraw/zinc/55/76/59/398557659.db2.gz OQUOHKFCXILLRP-UHFFFAOYSA-N 1 2 318.329 2.997 20 5 DFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](C)[C@H](F)C2)c1 ZINC000589509412 398558562 /nfs/dbraw/zinc/55/85/62/398558562.db2.gz BHQDFAOYVOXLHK-GXFFZTMASA-N 1 2 310.325 2.561 20 5 DFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](C)[C@H](F)C2)c1 ZINC000589509412 398558566 /nfs/dbraw/zinc/55/85/66/398558566.db2.gz BHQDFAOYVOXLHK-GXFFZTMASA-N 1 2 310.325 2.561 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000589521251 398558776 /nfs/dbraw/zinc/55/87/76/398558776.db2.gz OGIAQCVDYVSXLC-JKSUJKDBSA-N 1 2 318.373 2.834 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000589521251 398558779 /nfs/dbraw/zinc/55/87/79/398558779.db2.gz OGIAQCVDYVSXLC-JKSUJKDBSA-N 1 2 318.373 2.834 20 5 DFBDLO CC(C)COC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000092222973 398562905 /nfs/dbraw/zinc/56/29/05/398562905.db2.gz FZHCRMAVFJLNAI-UHFFFAOYSA-N 1 2 308.378 2.937 20 5 DFBDLO Cc1[nH]c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2[nH+]1 ZINC000042060049 398581515 /nfs/dbraw/zinc/58/15/15/398581515.db2.gz ILYVTTFJKIYCQP-UHFFFAOYSA-N 1 2 310.313 2.961 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000593382900 398614700 /nfs/dbraw/zinc/61/47/00/398614700.db2.gz MSNMSHUBPSPJRJ-UHFFFAOYSA-N 1 2 314.345 2.617 20 5 DFBDLO CC(C)(NC(=O)CCCn1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000590453739 398623536 /nfs/dbraw/zinc/62/35/36/398623536.db2.gz CYYWZNRXXYMFTO-UHFFFAOYSA-N 1 2 316.361 2.623 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000093437903 398637037 /nfs/dbraw/zinc/63/70/37/398637037.db2.gz NLUURVVZERKKRZ-AWEZNQCLSA-N 1 2 302.334 2.751 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000093437903 398637038 /nfs/dbraw/zinc/63/70/38/398637038.db2.gz NLUURVVZERKKRZ-AWEZNQCLSA-N 1 2 302.334 2.751 20 5 DFBDLO C[C@@H]1CSCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000172593292 198119855 /nfs/dbraw/zinc/11/98/55/198119855.db2.gz KWXVOWCLRJPVQY-SNVBAGLBSA-N 1 2 320.374 2.582 20 5 DFBDLO C[C@@H]1CSCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000172593292 198119858 /nfs/dbraw/zinc/11/98/58/198119858.db2.gz KWXVOWCLRJPVQY-SNVBAGLBSA-N 1 2 320.374 2.582 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000597665293 398676708 /nfs/dbraw/zinc/67/67/08/398676708.db2.gz GLDSKIPXYTWQCF-LBPRGKRZSA-N 1 2 314.345 2.609 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000597669557 398677467 /nfs/dbraw/zinc/67/74/67/398677467.db2.gz UMWUOWFZLACNHQ-JTQLQIEISA-N 1 2 302.334 2.752 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000597669557 398677468 /nfs/dbraw/zinc/67/74/68/398677468.db2.gz UMWUOWFZLACNHQ-JTQLQIEISA-N 1 2 302.334 2.752 20 5 DFBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597857011 398705063 /nfs/dbraw/zinc/70/50/63/398705063.db2.gz JHBULTLLSAKUAX-CYBMUJFWSA-N 1 2 316.361 2.545 20 5 DFBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597857011 398705069 /nfs/dbraw/zinc/70/50/69/398705069.db2.gz JHBULTLLSAKUAX-CYBMUJFWSA-N 1 2 316.361 2.545 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCCCC[C@@H]2CO)c(F)c1 ZINC000594017106 398721945 /nfs/dbraw/zinc/72/19/45/398721945.db2.gz QUHVLRURFDLUBC-SNVBAGLBSA-N 1 2 300.305 2.610 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCCCC[C@@H]2CO)c(F)c1 ZINC000594017106 398721946 /nfs/dbraw/zinc/72/19/46/398721946.db2.gz QUHVLRURFDLUBC-SNVBAGLBSA-N 1 2 300.305 2.610 20 5 DFBDLO CC[C@@H](Nc1nc[nH+]c2c1OCCN2)c1cccc([N+](=O)[O-])c1 ZINC000591150269 398732614 /nfs/dbraw/zinc/73/26/14/398732614.db2.gz QHIHLCRBCBMYTK-GFCCVEGCSA-N 1 2 315.333 2.752 20 5 DFBDLO CC[C@@H](Nc1[nH+]cnc2c1OCCN2)c1cccc([N+](=O)[O-])c1 ZINC000591150269 398732616 /nfs/dbraw/zinc/73/26/16/398732616.db2.gz QHIHLCRBCBMYTK-GFCCVEGCSA-N 1 2 315.333 2.752 20 5 DFBDLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000081569294 192294183 /nfs/dbraw/zinc/29/41/83/192294183.db2.gz ISSUAINGGANIEE-LBPRGKRZSA-N 1 2 324.377 2.636 20 5 DFBDLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000081569294 192294185 /nfs/dbraw/zinc/29/41/85/192294185.db2.gz ISSUAINGGANIEE-LBPRGKRZSA-N 1 2 324.377 2.636 20 5 DFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(CC(F)(F)F)CC1 ZINC000075587644 398811842 /nfs/dbraw/zinc/81/18/42/398811842.db2.gz WZMZQSHFQVKIJH-LLVKDONJSA-N 1 2 317.311 2.836 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598465746 398817607 /nfs/dbraw/zinc/81/76/07/398817607.db2.gz TVFXTCVOVMQOGP-GFCCVEGCSA-N 1 2 316.361 2.745 20 5 DFBDLO C[C@H](CNc1c(F)cccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592856 398826272 /nfs/dbraw/zinc/82/62/72/398826272.db2.gz ZLBLHLMXZMKXHH-UTUOFQBUSA-N 1 2 311.357 2.644 20 5 DFBDLO C[C@H](CNc1c(F)cccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592856 398826273 /nfs/dbraw/zinc/82/62/73/398826273.db2.gz ZLBLHLMXZMKXHH-UTUOFQBUSA-N 1 2 311.357 2.644 20 5 DFBDLO CC(C)(C)O[C@H]1C[C@H]([NH+]=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)C1 ZINC000594594173 398826460 /nfs/dbraw/zinc/82/64/60/398826460.db2.gz PQBMHVAUEQZEBA-HOMQSWHASA-N 1 2 304.350 2.651 20 5 DFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1nc(C)no1 ZINC000594614747 398833999 /nfs/dbraw/zinc/83/39/99/398833999.db2.gz KAAGYUDLHAAUKN-YRNVUSSQSA-N 1 2 302.334 2.822 20 5 DFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1nc(C)no1 ZINC000594614747 398834003 /nfs/dbraw/zinc/83/40/03/398834003.db2.gz KAAGYUDLHAAUKN-YRNVUSSQSA-N 1 2 302.334 2.822 20 5 DFBDLO CN(CCCn1cc[nH+]c1)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000276652770 213024409 /nfs/dbraw/zinc/02/44/09/213024409.db2.gz QYVMKCADQFQBKK-UHFFFAOYSA-N 1 2 311.345 2.866 20 5 DFBDLO Cc1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)nc1 ZINC000153164650 283355876 /nfs/dbraw/zinc/35/58/76/283355876.db2.gz QXHZZKHPHGOKDO-UHFFFAOYSA-N 1 2 312.373 2.620 20 5 DFBDLO CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153192374 283357148 /nfs/dbraw/zinc/35/71/48/283357148.db2.gz GVMOYMJGKQFFFN-GFCCVEGCSA-N 1 2 319.405 2.646 20 5 DFBDLO CCC(CC)NC(=O)[C@@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153192374 283357149 /nfs/dbraw/zinc/35/71/49/283357149.db2.gz GVMOYMJGKQFFFN-GFCCVEGCSA-N 1 2 319.405 2.646 20 5 DFBDLO CCCCCNC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153276984 283360429 /nfs/dbraw/zinc/36/04/29/283360429.db2.gz LBRVCBWDEXYYFA-UHFFFAOYSA-N 1 2 319.405 2.866 20 5 DFBDLO CCCCCNC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153276984 283360430 /nfs/dbraw/zinc/36/04/30/283360430.db2.gz LBRVCBWDEXYYFA-UHFFFAOYSA-N 1 2 319.405 2.866 20 5 DFBDLO CC(C)([NH2+]Cc1cn(C2CCC2)nn1)c1ccccc1[N+](=O)[O-] ZINC000594944510 398878076 /nfs/dbraw/zinc/87/80/76/398878076.db2.gz RBVRVOHTKXYIMO-UHFFFAOYSA-N 1 2 315.377 2.936 20 5 DFBDLO COc1cccc(OC)c1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000594967222 398883377 /nfs/dbraw/zinc/88/33/77/398883377.db2.gz IKPYCKLGPYXULP-UHFFFAOYSA-N 1 2 308.359 2.963 20 5 DFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1Cc2ccccc2C1 ZINC000155547792 283376262 /nfs/dbraw/zinc/37/62/62/283376262.db2.gz NKMWXKZZPFTTGH-LBPRGKRZSA-N 1 2 311.341 2.938 20 5 DFBDLO Cc1cc(N[C@H](C)[C@@H](C)CO)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000077227482 398890880 /nfs/dbraw/zinc/89/08/80/398890880.db2.gz RSPVSMLTHUAPRI-CMPLNLGQSA-N 1 2 316.361 2.789 20 5 DFBDLO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c2ncnn21 ZINC000595063024 398900488 /nfs/dbraw/zinc/90/04/88/398900488.db2.gz BYLHSSFZHKJCQC-VCTAVGKDSA-N 1 2 313.361 2.859 20 5 DFBDLO CC[C@H]([NH2+][C@@H]1C[C@H](C)n2ncnc21)c1cccc([N+](=O)[O-])c1 ZINC000595063002 398900556 /nfs/dbraw/zinc/90/05/56/398900556.db2.gz BQJWEGMCZCAYPU-LEWSCRJBSA-N 1 2 301.350 2.933 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)c1nccn1C ZINC000595106795 398906179 /nfs/dbraw/zinc/90/61/79/398906179.db2.gz LHTXVUPWASABLP-WDEREUQCSA-N 1 2 304.350 2.749 20 5 DFBDLO CC(C)N1C[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1=O ZINC000599036209 398911146 /nfs/dbraw/zinc/91/11/46/398911146.db2.gz AXRIKPHQQOXKDG-GFCCVEGCSA-N 1 2 314.345 2.564 20 5 DFBDLO CC(C)(C)OC(=O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599044611 398912103 /nfs/dbraw/zinc/91/21/03/398912103.db2.gz BGOGIECFSIJPLX-UHFFFAOYSA-N 1 2 303.318 2.897 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1nccnc1C ZINC000187960087 200183135 /nfs/dbraw/zinc/18/31/35/200183135.db2.gz FCBQJYUEMLQAGQ-LLVKDONJSA-N 1 2 302.334 2.553 20 5 DFBDLO C[C@H](O)[C@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599059769 398915275 /nfs/dbraw/zinc/91/52/75/398915275.db2.gz QTPARHUVPANWJY-AAEUAGOBSA-N 1 2 301.346 2.740 20 5 DFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000599085876 398918434 /nfs/dbraw/zinc/91/84/34/398918434.db2.gz FNLCKPXXHGCWTC-IHRRRGAJSA-N 1 2 313.357 2.740 20 5 DFBDLO C[N@@H+]1CCO[C@H](CSc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599092693 398920004 /nfs/dbraw/zinc/92/00/04/398920004.db2.gz SCAKRKJHWIAMAN-LBPRGKRZSA-N 1 2 319.386 2.566 20 5 DFBDLO C[N@H+]1CCO[C@H](CSc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599092693 398920007 /nfs/dbraw/zinc/92/00/07/398920007.db2.gz SCAKRKJHWIAMAN-LBPRGKRZSA-N 1 2 319.386 2.566 20 5 DFBDLO C[C@@H](CO)C1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599096125 398920733 /nfs/dbraw/zinc/92/07/33/398920733.db2.gz KWKLMHAZZWFTDA-LBPRGKRZSA-N 1 2 315.373 2.988 20 5 DFBDLO Cc1noc(C[N@@H+](C)Cc2cccc(N(C)C)c2)c1[N+](=O)[O-] ZINC000595396897 398932185 /nfs/dbraw/zinc/93/21/85/398932185.db2.gz ZIDCIJAECVPYSQ-UHFFFAOYSA-N 1 2 304.350 2.589 20 5 DFBDLO Cc1noc(C[N@H+](C)Cc2cccc(N(C)C)c2)c1[N+](=O)[O-] ZINC000595396897 398932187 /nfs/dbraw/zinc/93/21/87/398932187.db2.gz ZIDCIJAECVPYSQ-UHFFFAOYSA-N 1 2 304.350 2.589 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCO[C@H](CCF)C3)c2c1 ZINC000599168799 398933065 /nfs/dbraw/zinc/93/30/65/398933065.db2.gz MXLUUCPPQZBPBC-CYBMUJFWSA-N 1 2 305.309 2.708 20 5 DFBDLO Cc1noc(C[NH2+][C@H](c2ccccc2)C(C)(C)CO)c1[N+](=O)[O-] ZINC000595461132 398942853 /nfs/dbraw/zinc/94/28/53/398942853.db2.gz MAGBNUAXWICWMC-OAHLLOKOSA-N 1 2 319.361 2.741 20 5 DFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(CC(F)(F)F)CC1 ZINC000078269287 398945636 /nfs/dbraw/zinc/94/56/36/398945636.db2.gz ZHDQGUHSLIOKBA-LLVKDONJSA-N 1 2 317.311 2.836 20 5 DFBDLO Cc1noc(C[N@@H+](C)Cc2ccccc2N(C)C)c1[N+](=O)[O-] ZINC000595489117 398949295 /nfs/dbraw/zinc/94/92/95/398949295.db2.gz KAHXMQFMUQVDIB-UHFFFAOYSA-N 1 2 304.350 2.589 20 5 DFBDLO Cc1noc(C[N@H+](C)Cc2ccccc2N(C)C)c1[N+](=O)[O-] ZINC000595489117 398949297 /nfs/dbraw/zinc/94/92/97/398949297.db2.gz KAHXMQFMUQVDIB-UHFFFAOYSA-N 1 2 304.350 2.589 20 5 DFBDLO COc1cncc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000599335352 398955533 /nfs/dbraw/zinc/95/55/33/398955533.db2.gz SVYLBJUOGVUTGY-UHFFFAOYSA-N 1 2 314.345 2.558 20 5 DFBDLO COc1cncc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000599335352 398955536 /nfs/dbraw/zinc/95/55/36/398955536.db2.gz SVYLBJUOGVUTGY-UHFFFAOYSA-N 1 2 314.345 2.558 20 5 DFBDLO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 ZINC000194624964 201263454 /nfs/dbraw/zinc/26/34/54/201263454.db2.gz ASYPDZDDKIIHGT-GFCCVEGCSA-N 1 2 323.418 2.531 20 5 DFBDLO CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 ZINC000194624964 201263457 /nfs/dbraw/zinc/26/34/57/201263457.db2.gz ASYPDZDDKIIHGT-GFCCVEGCSA-N 1 2 323.418 2.531 20 5 DFBDLO COc1ccc(C[N@@H+]2CCO[C@](C)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000595617197 399002271 /nfs/dbraw/zinc/00/22/71/399002271.db2.gz GJANCENXCZOVNN-INIZCTEOSA-N 1 2 306.362 2.604 20 5 DFBDLO COc1ccc(C[N@H+]2CCO[C@](C)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000595617197 399002275 /nfs/dbraw/zinc/00/22/75/399002275.db2.gz GJANCENXCZOVNN-INIZCTEOSA-N 1 2 306.362 2.604 20 5 DFBDLO CC[C@@H](CO)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000275468235 212353011 /nfs/dbraw/zinc/35/30/11/212353011.db2.gz IASHHMIEDQONDD-LBPRGKRZSA-N 1 2 302.334 2.543 20 5 DFBDLO CCOC[C@@H]1C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000599620958 399031229 /nfs/dbraw/zinc/03/12/29/399031229.db2.gz XBPRGFKWTIZSLX-ZFWWWQNUSA-N 1 2 308.378 2.702 20 5 DFBDLO CCOC[C@@H]1C[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000599620958 399031234 /nfs/dbraw/zinc/03/12/34/399031234.db2.gz XBPRGFKWTIZSLX-ZFWWWQNUSA-N 1 2 308.378 2.702 20 5 DFBDLO CC(=O)c1ccc(N2CCC(n3cc[nH+]c3)CC2)c([N+](=O)[O-])c1 ZINC000060296317 399121088 /nfs/dbraw/zinc/12/10/88/399121088.db2.gz JALHKEREPJGELS-UHFFFAOYSA-N 1 2 314.345 2.835 20 5 DFBDLO COc1ccc(N[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)[nH+]c1 ZINC000618574327 399165260 /nfs/dbraw/zinc/16/52/60/399165260.db2.gz XJGKDOFWFXGROE-OLZOCXBDSA-N 1 2 317.349 2.791 20 5 DFBDLO CCc1nn(C)c(Nc2ccc(N3CCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000288228302 220030952 /nfs/dbraw/zinc/03/09/52/220030952.db2.gz WAHREELYLDUDFO-UHFFFAOYSA-N 1 2 316.365 2.630 20 5 DFBDLO CC(C)C[C@@H]1C[C@H]([NH+]=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCO1 ZINC000618585876 399170867 /nfs/dbraw/zinc/17/08/67/399170867.db2.gz PTYHEINLLSLIQA-DGCLKSJQSA-N 1 2 318.377 2.899 20 5 DFBDLO O=[N+]([O-])c1cncc(Cl)c1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000596112196 399176958 /nfs/dbraw/zinc/17/69/58/399176958.db2.gz JHEXLVNDSWZFAP-JTQLQIEISA-N 1 2 307.741 2.681 20 5 DFBDLO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCc1cn2ccccc2[nH+]1 ZINC000212353688 399204188 /nfs/dbraw/zinc/20/41/88/399204188.db2.gz ABXJMGBMOXUMLI-FPLPWBNLSA-N 1 2 322.324 2.572 20 5 DFBDLO COc1ccc(CNc2c[nH+]cc(N(C)C)c2)cc1[N+](=O)[O-] ZINC000601063969 399215764 /nfs/dbraw/zinc/21/57/64/399215764.db2.gz KLTLJSAGHFMFDZ-UHFFFAOYSA-N 1 2 302.334 2.677 20 5 DFBDLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000267591777 206162368 /nfs/dbraw/zinc/16/23/68/206162368.db2.gz DABNJJOSEJQYTH-TXEJJXNPSA-N 1 2 314.345 2.509 20 5 DFBDLO Cn1ccnc1[C@H]([NH2+]CC(C)(C)F)c1cccc([N+](=O)[O-])c1 ZINC000601287275 399271440 /nfs/dbraw/zinc/27/14/40/399271440.db2.gz GJUGNBCUODDGIN-CYBMUJFWSA-N 1 2 306.341 2.755 20 5 DFBDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000619175533 399307239 /nfs/dbraw/zinc/30/72/39/399307239.db2.gz INHUDCHDLUAGFK-XHBSWPGZSA-N 1 2 324.352 2.502 20 5 DFBDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000619175533 399307241 /nfs/dbraw/zinc/30/72/41/399307241.db2.gz INHUDCHDLUAGFK-XHBSWPGZSA-N 1 2 324.352 2.502 20 5 DFBDLO Cc1nc(C)n([C@H]2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)n1 ZINC000609260465 399311456 /nfs/dbraw/zinc/31/14/56/399311456.db2.gz QMWGGYCUGLHSBA-ZDUSSCGKSA-N 1 2 321.406 2.702 20 5 DFBDLO Cc1nc(C)n([C@H]2CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)n1 ZINC000609260465 399311457 /nfs/dbraw/zinc/31/14/57/399311457.db2.gz QMWGGYCUGLHSBA-ZDUSSCGKSA-N 1 2 321.406 2.702 20 5 DFBDLO Cn1cc[nH+]c1CNc1ccc([N+](=O)[O-])cc1Br ZINC000051923170 425883339 /nfs/dbraw/zinc/88/33/39/425883339.db2.gz LWECCZVXGJCHHK-UHFFFAOYSA-N 1 2 311.139 2.703 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000609619430 399326477 /nfs/dbraw/zinc/32/64/77/399326477.db2.gz QGWINNNMCMDODU-UHFFFAOYSA-N 1 2 312.285 2.503 20 5 DFBDLO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000268259237 206587518 /nfs/dbraw/zinc/58/75/18/206587518.db2.gz MECWOGVTZBBPIZ-RISCZKNCSA-N 1 2 301.350 2.582 20 5 DFBDLO COc1ccc(C[N@@H+]2CC(C)(C)OCC2(C)C)cc1[N+](=O)[O-] ZINC000609671607 399329759 /nfs/dbraw/zinc/32/97/59/399329759.db2.gz GXDFLDLBUUBUMP-UHFFFAOYSA-N 1 2 308.378 2.993 20 5 DFBDLO COc1ccc(C[N@H+]2CC(C)(C)OCC2(C)C)cc1[N+](=O)[O-] ZINC000609671607 399329761 /nfs/dbraw/zinc/32/97/61/399329761.db2.gz GXDFLDLBUUBUMP-UHFFFAOYSA-N 1 2 308.378 2.993 20 5 DFBDLO Cc1[nH+]c2cc(NC(=O)Cc3cccc([N+](=O)[O-])c3)ccc2n1C ZINC000610310610 399356441 /nfs/dbraw/zinc/35/64/41/399356441.db2.gz MUJHAAVYCLOQQR-UHFFFAOYSA-N 1 2 324.340 2.971 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(N2CCN(c3c[nH+]ccc3C)CC2)c1 ZINC000619589601 399365538 /nfs/dbraw/zinc/36/55/38/399365538.db2.gz VWQVNZPHXHLXNQ-UHFFFAOYSA-N 1 2 312.373 2.933 20 5 DFBDLO Cc1cc[nH+]cc1N1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000619589403 399365612 /nfs/dbraw/zinc/36/56/12/399365612.db2.gz JNAJUVCNUSHVHH-UHFFFAOYSA-N 1 2 304.375 2.686 20 5 DFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000601977758 399372940 /nfs/dbraw/zinc/37/29/40/399372940.db2.gz SSKKJVJBEWPPEZ-LBPRGKRZSA-N 1 2 304.268 2.590 20 5 DFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000601977758 399372942 /nfs/dbraw/zinc/37/29/42/399372942.db2.gz SSKKJVJBEWPPEZ-LBPRGKRZSA-N 1 2 304.268 2.590 20 5 DFBDLO C[C@@H]([NH2+]Cc1csc(N(C)C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000610539559 399379183 /nfs/dbraw/zinc/37/91/83/399379183.db2.gz YBXVZYZPMLTKRL-SNVBAGLBSA-N 1 2 306.391 2.968 20 5 DFBDLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000285086948 218285607 /nfs/dbraw/zinc/28/56/07/218285607.db2.gz JUMRHAYUVDXNKD-YUMQZZPRSA-N 1 2 307.379 2.749 20 5 DFBDLO Cc1csc(C2([NH2+]Cc3c([N+](=O)[O-])ncn3C)CCCC2)n1 ZINC000610582385 399382452 /nfs/dbraw/zinc/38/24/52/399382452.db2.gz BESNWWZPCVRXDM-UHFFFAOYSA-N 1 2 321.406 2.652 20 5 DFBDLO O=C(C[N@@H+]1C[C@@H]2CCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000610585581 399383957 /nfs/dbraw/zinc/38/39/57/399383957.db2.gz VBQYTGHEIALCHR-TVQRCGJNSA-N 1 2 309.753 2.671 20 5 DFBDLO O=C(C[N@H+]1C[C@@H]2CCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000610585581 399383959 /nfs/dbraw/zinc/38/39/59/399383959.db2.gz VBQYTGHEIALCHR-TVQRCGJNSA-N 1 2 309.753 2.671 20 5 DFBDLO CC[C@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CCCO1 ZINC000285359724 218396098 /nfs/dbraw/zinc/39/60/98/218396098.db2.gz QMJNPWQEXHIYPW-NSHDSACASA-N 1 2 300.305 2.874 20 5 DFBDLO CC[C@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CCCO1 ZINC000285359724 218396100 /nfs/dbraw/zinc/39/61/00/218396100.db2.gz QMJNPWQEXHIYPW-NSHDSACASA-N 1 2 300.305 2.874 20 5 DFBDLO C[C@H](NCc1cn2c([nH+]1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000268855653 207022965 /nfs/dbraw/zinc/02/29/65/207022965.db2.gz QGDPFGRANMKQCL-LBPRGKRZSA-N 1 2 300.362 2.978 20 5 DFBDLO Cc1cc(C(=O)NCc2cn3cccc(C)c3[nH+]2)cc([N+](=O)[O-])c1 ZINC000110798315 194359956 /nfs/dbraw/zinc/35/99/56/194359956.db2.gz ZDKQSIPWUTWOEW-UHFFFAOYSA-N 1 2 324.340 2.789 20 5 DFBDLO CN(CCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000268925332 207091680 /nfs/dbraw/zinc/09/16/80/207091680.db2.gz AQHMZESZPGLJCY-UHFFFAOYSA-N 1 2 311.345 2.866 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCOC(C)(C)C ZINC000610859863 399412893 /nfs/dbraw/zinc/41/28/93/399412893.db2.gz RBFOQZJNWRVRKZ-UHFFFAOYSA-N 1 2 323.393 2.589 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCOC(C)(C)C ZINC000610859863 399412894 /nfs/dbraw/zinc/41/28/94/399412894.db2.gz RBFOQZJNWRVRKZ-UHFFFAOYSA-N 1 2 323.393 2.589 20 5 DFBDLO CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1[nH]cc[nH+]1 ZINC000616176449 399430399 /nfs/dbraw/zinc/43/03/99/399430399.db2.gz AUVYGROMWGQWBQ-UHFFFAOYSA-N 1 2 313.317 2.605 20 5 DFBDLO CC(C)c1ccc(C[N@H+](C)CC(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000611253293 399451640 /nfs/dbraw/zinc/45/16/40/399451640.db2.gz YQHMYAFODOGNEE-UHFFFAOYSA-N 1 2 319.405 2.772 20 5 DFBDLO CC(C)c1ccc(C[N@@H+](C)CC(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000611253293 399451643 /nfs/dbraw/zinc/45/16/43/399451643.db2.gz YQHMYAFODOGNEE-UHFFFAOYSA-N 1 2 319.405 2.772 20 5 DFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611502883 399483880 /nfs/dbraw/zinc/48/38/80/399483880.db2.gz ZZSHCEHOPUXYON-SUNKGSAMSA-N 1 2 309.341 2.602 20 5 DFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611502883 399483881 /nfs/dbraw/zinc/48/38/81/399483881.db2.gz ZZSHCEHOPUXYON-SUNKGSAMSA-N 1 2 309.341 2.602 20 5 DFBDLO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000611606585 399498235 /nfs/dbraw/zinc/49/82/35/399498235.db2.gz GKXLNDORWFMBER-AWEZNQCLSA-N 1 2 306.362 2.821 20 5 DFBDLO COC(=O)[C@@H]1CCCCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000611606585 399498237 /nfs/dbraw/zinc/49/82/37/399498237.db2.gz GKXLNDORWFMBER-AWEZNQCLSA-N 1 2 306.362 2.821 20 5 DFBDLO COc1ccccc1[C@@H](CO)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000611683184 399504796 /nfs/dbraw/zinc/50/47/96/399504796.db2.gz NCHKABYIPJMCSM-CQSZACIVSA-N 1 2 320.320 2.566 20 5 DFBDLO COc1ccc(C[N@H+](C)Cc2cn(C)nc2[N+](=O)[O-])cc1Cl ZINC000602691337 399521739 /nfs/dbraw/zinc/52/17/39/399521739.db2.gz RSLMZWYPARWDTP-UHFFFAOYSA-N 1 2 324.768 2.622 20 5 DFBDLO COc1ccc(C[N@@H+](C)Cc2cn(C)nc2[N+](=O)[O-])cc1Cl ZINC000602691337 399521742 /nfs/dbraw/zinc/52/17/42/399521742.db2.gz RSLMZWYPARWDTP-UHFFFAOYSA-N 1 2 324.768 2.622 20 5 DFBDLO O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@H]2c2[nH]cc[nH+]2)s1 ZINC000376393497 285098872 /nfs/dbraw/zinc/09/88/72/285098872.db2.gz CRTRYDQEPYBXPN-VIFPVBQESA-N 1 2 316.346 2.664 20 5 DFBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000177287850 285116751 /nfs/dbraw/zinc/11/67/51/285116751.db2.gz VOLBMMSWFCPSQJ-NSHDSACASA-N 1 2 324.686 2.747 20 5 DFBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000177287850 285116757 /nfs/dbraw/zinc/11/67/57/285116757.db2.gz VOLBMMSWFCPSQJ-NSHDSACASA-N 1 2 324.686 2.747 20 5 DFBDLO CCn1nc(C)c(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000294616168 224119913 /nfs/dbraw/zinc/11/99/13/224119913.db2.gz XEYLUMNJBKBSKK-UHFFFAOYSA-N 1 2 317.393 2.925 20 5 DFBDLO CCn1nc(C)c(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000294616168 224119916 /nfs/dbraw/zinc/11/99/16/224119916.db2.gz XEYLUMNJBKBSKK-UHFFFAOYSA-N 1 2 317.393 2.925 20 5 DFBDLO CC[C@H]1c2ccsc2CC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602762498 399559540 /nfs/dbraw/zinc/55/95/40/399559540.db2.gz KBIXNJHGVVLVJN-LBPRGKRZSA-N 1 2 306.391 2.899 20 5 DFBDLO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602762498 399559543 /nfs/dbraw/zinc/55/95/43/399559543.db2.gz KBIXNJHGVVLVJN-LBPRGKRZSA-N 1 2 306.391 2.899 20 5 DFBDLO COc1cc[nH+]cc1COc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000320811149 533085688 /nfs/dbraw/zinc/08/56/88/533085688.db2.gz IHOHTQLAVVYSJM-UHFFFAOYSA-N 1 2 302.286 2.780 20 5 DFBDLO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602795758 399577563 /nfs/dbraw/zinc/57/75/63/399577563.db2.gz COEZBSHGDYCLRO-WDEREUQCSA-N 1 2 318.352 2.975 20 5 DFBDLO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602795758 399577568 /nfs/dbraw/zinc/57/75/68/399577568.db2.gz COEZBSHGDYCLRO-WDEREUQCSA-N 1 2 318.352 2.975 20 5 DFBDLO COc1cc(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)c([N+](=O)[O-])cc1F ZINC000602884121 399614892 /nfs/dbraw/zinc/61/48/92/399614892.db2.gz ZUHNPEHPHCVTFX-ZDUSSCGKSA-N 1 2 320.324 2.803 20 5 DFBDLO COc1cc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)c([N+](=O)[O-])cc1F ZINC000602884121 399614896 /nfs/dbraw/zinc/61/48/96/399614896.db2.gz ZUHNPEHPHCVTFX-ZDUSSCGKSA-N 1 2 320.324 2.803 20 5 DFBDLO CC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1[nH]cc[nH+]1 ZINC000347976305 285278893 /nfs/dbraw/zinc/27/88/93/285278893.db2.gz VVRPZBMILQDVNO-GFCCVEGCSA-N 1 2 322.752 2.781 20 5 DFBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]1c1ncccn1 ZINC000602895995 399618175 /nfs/dbraw/zinc/61/81/75/399618175.db2.gz FBPIHVHXJVKROU-AWEZNQCLSA-N 1 2 314.345 2.601 20 5 DFBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H]1c1ncccn1 ZINC000602895995 399618176 /nfs/dbraw/zinc/61/81/76/399618176.db2.gz FBPIHVHXJVKROU-AWEZNQCLSA-N 1 2 314.345 2.601 20 5 DFBDLO Cc1cc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc[nH+]1 ZINC000152244030 196794626 /nfs/dbraw/zinc/79/46/26/196794626.db2.gz BAEZJGDGVYEPAB-UHFFFAOYSA-N 1 2 321.358 2.716 20 5 DFBDLO CC(C)n1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)nn1 ZINC000289667210 221142531 /nfs/dbraw/zinc/14/25/31/221142531.db2.gz ISKPGKQJRUGLNV-UHFFFAOYSA-N 1 2 309.757 2.710 20 5 DFBDLO Cn1cc[nH+]c1[C@@H]1N(Cc2csc([N+](=O)[O-])c2)CC1(C)C ZINC000294936504 224323643 /nfs/dbraw/zinc/32/36/43/224323643.db2.gz ZWRIVQJZZJFWSI-LBPRGKRZSA-N 1 2 306.391 2.973 20 5 DFBDLO COCc1nc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cs1 ZINC000289931391 221325899 /nfs/dbraw/zinc/32/58/99/221325899.db2.gz WDISAPXHRYAGLS-UHFFFAOYSA-N 1 2 307.375 2.796 20 5 DFBDLO Cc1nc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)sc1C ZINC000602963326 399641415 /nfs/dbraw/zinc/64/14/15/399641415.db2.gz VPYTWUJPOXRCKU-HNNXBMFYSA-N 1 2 321.402 2.665 20 5 DFBDLO C[C@](CO)([NH2+]Cc1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000602963539 399641621 /nfs/dbraw/zinc/64/16/21/399641621.db2.gz XSZFZLCTEDQXQC-MRXNPFEDSA-N 1 2 322.311 2.870 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1OC2CCC1CC2 ZINC000603031736 399661530 /nfs/dbraw/zinc/66/15/30/399661530.db2.gz IWIYXTBNETUWLH-UHFFFAOYSA-N 1 2 319.361 2.790 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1OC2CCC1CC2 ZINC000603031736 399661533 /nfs/dbraw/zinc/66/15/33/399661533.db2.gz IWIYXTBNETUWLH-UHFFFAOYSA-N 1 2 319.361 2.790 20 5 DFBDLO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)c(C)[nH+]1 ZINC000121592573 195312651 /nfs/dbraw/zinc/31/26/51/195312651.db2.gz WWHZLCDNMZMBKP-UHFFFAOYSA-N 1 2 314.345 2.925 20 5 DFBDLO COc1nccnc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000294616164 533272759 /nfs/dbraw/zinc/27/27/59/533272759.db2.gz XEORTGKNALMQRW-UHFFFAOYSA-N 1 2 314.345 2.558 20 5 DFBDLO COc1nccnc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000294616164 533272762 /nfs/dbraw/zinc/27/27/62/533272762.db2.gz XEORTGKNALMQRW-UHFFFAOYSA-N 1 2 314.345 2.558 20 5 DFBDLO COc1nccnc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000294553891 533272795 /nfs/dbraw/zinc/27/27/95/533272795.db2.gz LEQCJBQKHICWHK-UHFFFAOYSA-N 1 2 314.345 2.558 20 5 DFBDLO COc1nccnc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000294553891 533272800 /nfs/dbraw/zinc/27/28/00/533272800.db2.gz LEQCJBQKHICWHK-UHFFFAOYSA-N 1 2 314.345 2.558 20 5 DFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000293006546 533327881 /nfs/dbraw/zinc/32/78/81/533327881.db2.gz NNXVCSXYHFMORL-UTLUCORTSA-N 1 2 311.769 2.915 20 5 DFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@@H](C)[C@@H]1C ZINC000293006546 533327885 /nfs/dbraw/zinc/32/78/85/533327885.db2.gz NNXVCSXYHFMORL-UTLUCORTSA-N 1 2 311.769 2.915 20 5 DFBDLO O=[N+]([O-])c1ncccc1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000604432987 399846310 /nfs/dbraw/zinc/84/63/10/399846310.db2.gz OYGZYLYWGIUICB-UHFFFAOYSA-N 1 2 313.292 2.927 20 5 DFBDLO Cc1cc(N(C)Cc2[nH]cc[nH+]2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000339678062 543146110 /nfs/dbraw/zinc/14/61/10/543146110.db2.gz PVGMHTMNAJHMPA-UHFFFAOYSA-N 1 2 324.344 2.720 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000245529287 146078974 /nfs/dbraw/zinc/07/89/74/146078974.db2.gz RGSYMSHOLOSPFU-IAOVAPTHSA-N 1 2 320.389 2.844 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000245529287 146078976 /nfs/dbraw/zinc/07/89/76/146078976.db2.gz RGSYMSHOLOSPFU-IAOVAPTHSA-N 1 2 320.389 2.844 20 5 DFBDLO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccn1 ZINC000361269121 149071704 /nfs/dbraw/zinc/07/17/04/149071704.db2.gz YTBMVNVJONAWKA-UHFFFAOYSA-N 1 2 311.345 2.888 20 5 DFBDLO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccn1 ZINC000361269121 149071706 /nfs/dbraw/zinc/07/17/06/149071706.db2.gz YTBMVNVJONAWKA-UHFFFAOYSA-N 1 2 311.345 2.888 20 5 DFBDLO Cc1nc(N[C@H]2CCCN(c3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000371385000 150036161 /nfs/dbraw/zinc/03/61/61/150036161.db2.gz NYOGKMJPWVSUSX-ZDUSSCGKSA-N 1 2 313.361 2.774 20 5 DFBDLO Cc1cc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc([N+](=O)[O-])c1 ZINC000371519680 150058850 /nfs/dbraw/zinc/05/88/50/150058850.db2.gz MLPCSJLRLHUDHC-ZDUSSCGKSA-N 1 2 300.318 2.604 20 5 DFBDLO CC(C)OC[C@@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000372166616 150143877 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DFBDLO COc1cc(C[N@H+]2CCOC[C@@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC000351922842 286245456 /nfs/dbraw/zinc/24/54/56/286245456.db2.gz LCDWDNWXKQQOQO-AWEZNQCLSA-N 1 2 308.378 2.850 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000266168422 292282360 /nfs/dbraw/zinc/28/23/60/292282360.db2.gz VOJCTMRVRQWBQF-GFCCVEGCSA-N 1 2 314.345 2.646 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)CN(Cc1cn3ccccc3[nH+]1)CC2 ZINC000131357955 196162147 /nfs/dbraw/zinc/16/21/47/196162147.db2.gz BUHNQXGDFDXJGI-UHFFFAOYSA-N 1 2 308.341 2.801 20 5 DFBDLO CCn1nc(C)c(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000295822430 225278488 /nfs/dbraw/zinc/27/84/88/225278488.db2.gz UVDJENWVRAJIEZ-LLVKDONJSA-N 1 2 303.366 2.674 20 5 DFBDLO COC[C@@]1(C)CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000296694246 226131611 /nfs/dbraw/zinc/13/16/11/226131611.db2.gz MDTVZTATVAVSMH-AWEZNQCLSA-N 1 2 300.305 2.731 20 5 DFBDLO COC[C@@]1(C)CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000296694246 226131614 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O=[N+]([O-])c1cccc(F)c1C[N@@H+](CCO)Cc1ccccc1 ZINC000103466874 425949181 /nfs/dbraw/zinc/94/91/81/425949181.db2.gz UQWVNLJSBJSMQC-UHFFFAOYSA-N 1 2 304.321 2.728 20 5 DFBDLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000071943261 426006493 /nfs/dbraw/zinc/00/64/93/426006493.db2.gz CUCXBTJRFGBCKO-OAHLLOKOSA-N 1 2 306.362 2.821 20 5 DFBDLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000071943261 426006495 /nfs/dbraw/zinc/00/64/95/426006495.db2.gz CUCXBTJRFGBCKO-OAHLLOKOSA-N 1 2 306.362 2.821 20 5 DFBDLO Cc1cc(N(C)[C@@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000112967047 426099002 /nfs/dbraw/zinc/09/90/02/426099002.db2.gz CVYMOXGXVKOZNY-CQSZACIVSA-N 1 2 314.345 2.585 20 5 DFBDLO Cc1ccc(C[NH+]2CCN(C(=O)C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000128303536 426110821 /nfs/dbraw/zinc/11/08/21/426110821.db2.gz PXCYLJJBVOEPJN-UHFFFAOYSA-N 1 2 319.405 2.594 20 5 DFBDLO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(=O)OC(C)(C)C ZINC000170645648 426141550 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DFBDLO Cc1nn(C)c(NCCCc2[nH]c3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000265161115 426587734 /nfs/dbraw/zinc/58/77/34/426587734.db2.gz WBYGDDYPOINXNH-UHFFFAOYSA-N 1 2 314.349 2.558 20 5 DFBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1ccn2cc[nH+]c2c1 ZINC000178060624 426564852 /nfs/dbraw/zinc/56/48/52/426564852.db2.gz YNTWXNNLEPLQII-ZZXKWVIFSA-N 1 2 322.324 2.572 20 5 DFBDLO Cc1occc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000178723966 426682983 /nfs/dbraw/zinc/68/29/83/426682983.db2.gz YJHPGLMUEPEOGQ-LLVKDONJSA-N 1 2 317.345 2.955 20 5 DFBDLO Cc1occc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000178723966 426682989 /nfs/dbraw/zinc/68/29/89/426682989.db2.gz YJHPGLMUEPEOGQ-LLVKDONJSA-N 1 2 317.345 2.955 20 5 DFBDLO CCc1c[nH+]ccc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000281872380 426782154 /nfs/dbraw/zinc/78/21/54/426782154.db2.gz ZMHYMYZAVYOBIG-UHFFFAOYSA-N 1 2 315.329 2.878 20 5 DFBDLO COC(=O)C[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000179394656 426785958 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DFBDLO COc1cc(C[N@H+](C)Cc2ccccn2)c([N+](=O)[O-])cc1F ZINC000295160450 426843087 /nfs/dbraw/zinc/84/30/87/426843087.db2.gz NEVFIUDRFDKCRU-UHFFFAOYSA-N 1 2 305.309 2.770 20 5 DFBDLO COc1cc(C[N@@H+](C)Cc2ccccn2)c([N+](=O)[O-])cc1F ZINC000295160450 426843091 /nfs/dbraw/zinc/84/30/91/426843091.db2.gz NEVFIUDRFDKCRU-UHFFFAOYSA-N 1 2 305.309 2.770 20 5 DFBDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000179493719 426794936 /nfs/dbraw/zinc/79/49/36/426794936.db2.gz KOYTZIGZZYKKPM-FVQBIDKESA-N 1 2 324.352 2.502 20 5 DFBDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000179493719 426794942 /nfs/dbraw/zinc/79/49/42/426794942.db2.gz KOYTZIGZZYKKPM-FVQBIDKESA-N 1 2 324.352 2.502 20 5 DFBDLO C[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000282840235 426924364 /nfs/dbraw/zinc/92/43/64/426924364.db2.gz SSIRGQRTXOYVLU-NSHDSACASA-N 1 2 303.366 2.792 20 5 DFBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)n1 ZINC000267301021 426868609 /nfs/dbraw/zinc/86/86/09/426868609.db2.gz CTZJUZVQNXMUQX-CYBMUJFWSA-N 1 2 306.753 2.892 20 5 DFBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)n1 ZINC000267301021 426868613 /nfs/dbraw/zinc/86/86/13/426868613.db2.gz CTZJUZVQNXMUQX-CYBMUJFWSA-N 1 2 306.753 2.892 20 5 DFBDLO Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000181036000 426908684 /nfs/dbraw/zinc/90/86/84/426908684.db2.gz JEGILTCSQTWMPL-UHFFFAOYSA-N 1 2 323.312 2.819 20 5 DFBDLO O=[N+]([O-])c1ccc(OC2CN(c3cc[nH+]c(C4CC4)n3)C2)cc1 ZINC000276062853 426976315 /nfs/dbraw/zinc/97/63/15/426976315.db2.gz AKWWYWNQTIGWQA-UHFFFAOYSA-N 1 2 312.329 2.530 20 5 DFBDLO CO[C@H](C)c1noc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000181813729 426983347 /nfs/dbraw/zinc/98/33/47/426983347.db2.gz GEUAVIIAXKKRIB-GHMZBOCLSA-N 1 2 320.349 2.844 20 5 DFBDLO CO[C@H](C)c1noc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000181813755 426983804 /nfs/dbraw/zinc/98/38/04/426983804.db2.gz GEUAVIIAXKKRIB-WDEREUQCSA-N 1 2 320.349 2.844 20 5 DFBDLO C[C@]1(F)CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000295385465 426938258 /nfs/dbraw/zinc/93/82/58/426938258.db2.gz KUIXWKGLQCJELD-HNNXBMFYSA-N 1 2 320.324 2.969 20 5 DFBDLO C[C@]1(F)CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000295385465 426938264 /nfs/dbraw/zinc/93/82/64/426938264.db2.gz KUIXWKGLQCJELD-HNNXBMFYSA-N 1 2 320.324 2.969 20 5 DFBDLO Cc1cc(N(C)CCCCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000276212608 427009197 /nfs/dbraw/zinc/00/91/97/427009197.db2.gz KQEPWONFLVLYCO-UHFFFAOYSA-N 1 2 316.361 2.569 20 5 DFBDLO Cc1nc(NCCCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000268541563 427049188 /nfs/dbraw/zinc/04/91/88/427049188.db2.gz ZKVGNZCACULQCS-UHFFFAOYSA-N 1 2 301.350 2.997 20 5 DFBDLO COc1c(C)c[nH+]c(CN(C)c2ccc(N)cc2[N+](=O)[O-])c1C ZINC000283762748 427070545 /nfs/dbraw/zinc/07/05/45/427070545.db2.gz NGMDNTQLNQJSMX-UHFFFAOYSA-N 1 2 316.361 2.834 20 5 DFBDLO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000283871570 427089752 /nfs/dbraw/zinc/08/97/52/427089752.db2.gz AICUNTSLBXCPAZ-ZJUUUORDSA-N 1 2 311.363 2.829 20 5 DFBDLO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000283871570 427089755 /nfs/dbraw/zinc/08/97/55/427089755.db2.gz AICUNTSLBXCPAZ-ZJUUUORDSA-N 1 2 311.363 2.829 20 5 DFBDLO CC[C@H]([NH2+][C@@H](C)c1nnnn1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000190619056 427147330 /nfs/dbraw/zinc/14/73/30/427147330.db2.gz HQCJBXURHNXHJB-HZMBPMFUSA-N 1 2 316.365 2.718 20 5 DFBDLO Cc1c([C@@H](C)[NH2+]Cc2nnc(C3CC3)[nH]2)cccc1[N+](=O)[O-] ZINC000296369704 427160495 /nfs/dbraw/zinc/16/04/95/427160495.db2.gz JEDPLSOMEITCAJ-SNVBAGLBSA-N 1 2 301.350 2.750 20 5 DFBDLO C[C@@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCS1 ZINC000171701549 271107370 /nfs/dbraw/zinc/10/73/70/271107370.db2.gz WKFJGSPMBATESR-SNVBAGLBSA-N 1 2 320.374 2.582 20 5 DFBDLO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCS1 ZINC000171701549 271107373 /nfs/dbraw/zinc/10/73/73/271107373.db2.gz WKFJGSPMBATESR-SNVBAGLBSA-N 1 2 320.374 2.582 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000297570902 271360401 /nfs/dbraw/zinc/36/04/01/271360401.db2.gz GQNCBVJAPBJKGZ-MFKMUULPSA-N 1 2 302.334 2.596 20 5 DFBDLO Cc1cc(Cl)c(C(=O)NCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000296454351 427184115 /nfs/dbraw/zinc/18/41/15/427184115.db2.gz OJPPFBBWFUTFMI-UHFFFAOYSA-N 1 2 322.752 2.573 20 5 DFBDLO COCc1noc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000183038345 427188252 /nfs/dbraw/zinc/18/82/52/427188252.db2.gz CJVBKCNFWYOJEC-VHSXEESVSA-N 1 2 306.322 2.536 20 5 DFBDLO CO[C@@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC[C@@H]1C ZINC000285352734 427212055 /nfs/dbraw/zinc/21/20/55/427212055.db2.gz QCZRWTHTIMKFFJ-LKFCYVNXSA-N 1 2 300.305 2.730 20 5 DFBDLO CO[C@@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC[C@@H]1C ZINC000285352734 427212059 /nfs/dbraw/zinc/21/20/59/427212059.db2.gz QCZRWTHTIMKFFJ-LKFCYVNXSA-N 1 2 300.305 2.730 20 5 DFBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@H]1CCCC[C@H]1O ZINC000285501240 427253001 /nfs/dbraw/zinc/25/30/01/427253001.db2.gz FBKCLAFZVHATTE-MEBBXXQBSA-N 1 2 314.332 2.856 20 5 DFBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@H]1CCCC[C@H]1O ZINC000285501240 427253006 /nfs/dbraw/zinc/25/30/06/427253006.db2.gz FBKCLAFZVHATTE-MEBBXXQBSA-N 1 2 314.332 2.856 20 5 DFBDLO COC(=O)c1cnoc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000285746640 427324866 /nfs/dbraw/zinc/32/48/66/427324866.db2.gz VIIVIDHSKTWIPT-JTQLQIEISA-N 1 2 319.317 2.529 20 5 DFBDLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000331117409 427348708 /nfs/dbraw/zinc/34/87/08/427348708.db2.gz MTFQIKFWOANXFK-XHDPSFHLSA-N 1 2 306.362 2.677 20 5 DFBDLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000331117409 427348715 /nfs/dbraw/zinc/34/87/15/427348715.db2.gz MTFQIKFWOANXFK-XHDPSFHLSA-N 1 2 306.362 2.677 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000339053384 271646979 /nfs/dbraw/zinc/64/69/79/271646979.db2.gz DLFHWELWTUHISE-BMFZPTHFSA-N 1 2 318.373 2.738 20 5 DFBDLO CCOc1cccc(NCC[N@@H+]2CCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000184103466 427393492 /nfs/dbraw/zinc/39/34/92/427393492.db2.gz FHYVALBHTRHGSP-UHFFFAOYSA-N 1 2 323.393 2.516 20 5 DFBDLO CCOc1cccc(NCC[N@H+]2CCOC(C)(C)C2)c1[N+](=O)[O-] ZINC000184103466 427393497 /nfs/dbraw/zinc/39/34/97/427393497.db2.gz FHYVALBHTRHGSP-UHFFFAOYSA-N 1 2 323.393 2.516 20 5 DFBDLO CCn1ccnc1[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000297812423 427458158 /nfs/dbraw/zinc/45/81/58/427458158.db2.gz QXDXORVWELYLDU-NSHDSACASA-N 1 2 304.350 2.671 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1N1CC[NH+](Cc2ccco2)CC1 ZINC000286134947 427435352 /nfs/dbraw/zinc/43/53/52/427435352.db2.gz NBRMYNIODVMKTM-UHFFFAOYSA-N 1 2 305.309 2.649 20 5 DFBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)C1CC[NH+](CC(F)F)CC1 ZINC000297988077 427496731 /nfs/dbraw/zinc/49/67/31/427496731.db2.gz YZDWKVVJJMSCPP-UHFFFAOYSA-N 1 2 313.304 2.510 20 5 DFBDLO Cc1[nH+]c(C(C)C)ccc1Cn1c(C)c([N+](=O)[O-])ccc1=O ZINC000298188374 427528991 /nfs/dbraw/zinc/52/89/91/427528991.db2.gz HHHFIXKDFJSUSZ-UHFFFAOYSA-N 1 2 301.346 2.940 20 5 DFBDLO COc1ccc(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000294079435 427543567 /nfs/dbraw/zinc/54/35/67/427543567.db2.gz QYEQWIZVSVAYCT-IAGOWNOFSA-N 1 2 318.373 2.747 20 5 DFBDLO COc1ccc(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000294079435 427543570 /nfs/dbraw/zinc/54/35/70/427543570.db2.gz QYEQWIZVSVAYCT-IAGOWNOFSA-N 1 2 318.373 2.747 20 5 DFBDLO Cc1ccc(CNCc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000263714181 427550653 /nfs/dbraw/zinc/55/06/53/427550653.db2.gz AIKVWNBTDUKXPO-UHFFFAOYSA-N 1 2 300.362 2.726 20 5 DFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000332232960 427552173 /nfs/dbraw/zinc/55/21/73/427552173.db2.gz PSGUHKITOJDRJS-QKVFXAPYSA-N 1 2 310.419 2.889 20 5 DFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000332232960 427552180 /nfs/dbraw/zinc/55/21/80/427552180.db2.gz PSGUHKITOJDRJS-QKVFXAPYSA-N 1 2 310.419 2.889 20 5 DFBDLO Cc1ccccc1-n1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000342027171 271934622 /nfs/dbraw/zinc/93/46/22/271934622.db2.gz PWMOMDDWQIUAMH-UHFFFAOYSA-N 1 2 323.356 2.774 20 5 DFBDLO Nc1ccc([N+](=O)[O-])c(N2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000192787469 427611143 /nfs/dbraw/zinc/61/11/43/427611143.db2.gz WXDWGVZCDVBHJK-LBPRGKRZSA-N 1 2 313.361 2.510 20 5 DFBDLO CCC1(CC)C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[S@@]1=O ZINC000185284934 427626795 /nfs/dbraw/zinc/62/67/95/427626795.db2.gz BUGKCSSLRMXHEX-NRFANRHFSA-N 1 2 310.419 2.718 20 5 DFBDLO CCC1(CC)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[S@@]1=O ZINC000185284934 427626803 /nfs/dbraw/zinc/62/68/03/427626803.db2.gz BUGKCSSLRMXHEX-NRFANRHFSA-N 1 2 310.419 2.718 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000339046182 427645578 /nfs/dbraw/zinc/64/55/78/427645578.db2.gz GRNIYFCRHLAHRD-OLZOCXBDSA-N 1 2 306.362 2.549 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000339046182 427645584 /nfs/dbraw/zinc/64/55/84/427645584.db2.gz GRNIYFCRHLAHRD-OLZOCXBDSA-N 1 2 306.362 2.549 20 5 DFBDLO CC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000339086052 427669063 /nfs/dbraw/zinc/66/90/63/427669063.db2.gz VNGHWDGNISPJEV-CQSZACIVSA-N 1 2 318.377 2.892 20 5 DFBDLO COCC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccco1 ZINC000339085038 427670529 /nfs/dbraw/zinc/67/05/29/427670529.db2.gz OAVNXGCYUNIVBM-ZDUSSCGKSA-N 1 2 306.318 2.761 20 5 DFBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1c(F)cccc1[N+](=O)[O-] ZINC000343229076 272100300 /nfs/dbraw/zinc/10/03/00/272100300.db2.gz QKWVQXLVPXHWCA-UHFFFAOYSA-N 1 2 304.325 2.903 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])c(N[C@H](c2[nH+]ccn2C)C2CC2)n1 ZINC000343266419 272109396 /nfs/dbraw/zinc/10/93/96/272109396.db2.gz DDAOXUXTKSMOCL-LBPRGKRZSA-N 1 2 301.350 2.903 20 5 DFBDLO Cc1cn2cc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3)ccc2[nH+]1 ZINC000344212701 272288576 /nfs/dbraw/zinc/28/85/76/272288576.db2.gz MDDZCOSIWMPLGC-UHFFFAOYSA-N 1 2 314.276 2.942 20 5 DFBDLO COc1cccc(N[C@H]2CCN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000185624764 427683661 /nfs/dbraw/zinc/68/36/61/427683661.db2.gz SGFQIPWUMJEIQT-LBPRGKRZSA-N 1 2 314.345 2.689 20 5 DFBDLO CCC1(CC)[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1OC ZINC000339127202 427690384 /nfs/dbraw/zinc/69/03/84/427690384.db2.gz YCDVDFYPRYOBDR-HUUCEWRRSA-N 1 2 308.378 2.984 20 5 DFBDLO CC(C)C[C@H]1COCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193941804 427723397 /nfs/dbraw/zinc/72/33/97/427723397.db2.gz QQDPMXUYVDCAHS-AWEZNQCLSA-N 1 2 323.349 2.750 20 5 DFBDLO CC(C)C[C@H]1COCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193941804 427723402 /nfs/dbraw/zinc/72/34/02/427723402.db2.gz QQDPMXUYVDCAHS-AWEZNQCLSA-N 1 2 323.349 2.750 20 5 DFBDLO Cc1cc(NCc2ccnn2C)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301283012 427786775 /nfs/dbraw/zinc/78/67/75/427786775.db2.gz ULJLQVBJAUXVRU-UHFFFAOYSA-N 1 2 324.344 2.706 20 5 DFBDLO Cc1noc(C)c1C(C)(C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339200563 427727987 /nfs/dbraw/zinc/72/79/87/427727987.db2.gz SZXCJUXAXXVPCS-UHFFFAOYSA-N 1 2 305.334 2.930 20 5 DFBDLO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339211805 427733654 /nfs/dbraw/zinc/73/36/54/427733654.db2.gz JBJJPJZNFNXGMB-JOYOIKCWSA-N 1 2 318.295 2.959 20 5 DFBDLO C[C@H]1C[C@H](O)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339211805 427733657 /nfs/dbraw/zinc/73/36/57/427733657.db2.gz JBJJPJZNFNXGMB-JOYOIKCWSA-N 1 2 318.295 2.959 20 5 DFBDLO O=[N+]([O-])c1ccc(NCCc2[nH]c3ccc(F)cc3[nH+]2)nc1 ZINC000301550848 427804724 /nfs/dbraw/zinc/80/47/24/427804724.db2.gz QUUDXZHXOXINPL-UHFFFAOYSA-N 1 2 301.281 2.660 20 5 DFBDLO COc1cc(C)[nH+]c(COc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000339743237 427820498 /nfs/dbraw/zinc/82/04/98/427820498.db2.gz RDOFITCPYCNEKP-UHFFFAOYSA-N 1 2 304.302 2.894 20 5 DFBDLO COc1ccc(C[N@@H+]2CCOC[C@H]2CC2CCC2)cc1[N+](=O)[O-] ZINC000339768741 427824728 /nfs/dbraw/zinc/82/47/28/427824728.db2.gz IRWGRROTXSFZKB-OAHLLOKOSA-N 1 2 320.389 2.994 20 5 DFBDLO COc1ccc(C[N@H+]2CCOC[C@H]2CC2CCC2)cc1[N+](=O)[O-] ZINC000339768741 427824729 /nfs/dbraw/zinc/82/47/29/427824729.db2.gz IRWGRROTXSFZKB-OAHLLOKOSA-N 1 2 320.389 2.994 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H]1CCC[C@H]1OC(F)F ZINC000337305383 427833766 /nfs/dbraw/zinc/83/37/66/427833766.db2.gz RFPDIUYLVRZSFT-CMPLNLGQSA-N 1 2 302.277 2.550 20 5 DFBDLO Cc1ccc(C[N@H+](CCO)Cc2ccc([N+](=O)[O-])cc2F)o1 ZINC000355663761 427839951 /nfs/dbraw/zinc/83/99/51/427839951.db2.gz UELAFEKJHIUPLZ-UHFFFAOYSA-N 1 2 308.309 2.630 20 5 DFBDLO Cc1ccc(C[N@@H+](CCO)Cc2ccc([N+](=O)[O-])cc2F)o1 ZINC000355663761 427839958 /nfs/dbraw/zinc/83/99/58/427839958.db2.gz UELAFEKJHIUPLZ-UHFFFAOYSA-N 1 2 308.309 2.630 20 5 DFBDLO O=[N+]([O-])c1ccc(N2CCc3c([nH+]cn3-c3ccccc3)C2)cn1 ZINC000349866133 427882578 /nfs/dbraw/zinc/88/25/78/427882578.db2.gz DALIGEDHIKXHSU-UHFFFAOYSA-N 1 2 321.340 2.738 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000359532348 427894840 /nfs/dbraw/zinc/89/48/40/427894840.db2.gz UGJQBJIBPOOYTI-AWEZNQCLSA-N 1 2 308.284 2.696 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCn3cnnc3C3CC3)c2c1 ZINC000413189274 427985432 /nfs/dbraw/zinc/98/54/32/427985432.db2.gz VVEBOHBWBLYPMM-UHFFFAOYSA-N 1 2 324.344 2.724 20 5 DFBDLO Cn1c[nH+]c(CCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)c1 ZINC000413384798 428036224 /nfs/dbraw/zinc/03/62/24/428036224.db2.gz QERDFWZAVDNFDB-UHFFFAOYSA-N 1 2 312.276 2.584 20 5 DFBDLO Cc1cccc(CCNc2ccc3cc([N+](=O)[O-])ccc3n2)[nH+]1 ZINC000359840120 428038603 /nfs/dbraw/zinc/03/86/03/428038603.db2.gz CDFHGYHUDFUNMU-UHFFFAOYSA-N 1 2 308.341 3.501 20 5 DFBDLO O=c1[nH]ccc2c1C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000369610191 428014612 /nfs/dbraw/zinc/01/46/12/428014612.db2.gz YNSWRVNPTWYVNE-UHFFFAOYSA-N 1 2 319.748 2.907 20 5 DFBDLO O=c1[nH]ccc2c1C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000369610191 428014619 /nfs/dbraw/zinc/01/46/19/428014619.db2.gz YNSWRVNPTWYVNE-UHFFFAOYSA-N 1 2 319.748 2.907 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC(F)(F)[C@H](CO)C3)c2c1 ZINC000413314823 428019472 /nfs/dbraw/zinc/01/94/72/428019472.db2.gz UOCJOGZSICEASG-NSHDSACASA-N 1 2 323.299 2.597 20 5 DFBDLO O=[N+]([O-])c1cc2ccccc2nc1NCCCNc1cccc[nH+]1 ZINC000352368883 428133763 /nfs/dbraw/zinc/13/37/63/428133763.db2.gz WLNVUWDLGOGKQN-UHFFFAOYSA-N 1 2 323.356 3.452 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000356345095 428134322 /nfs/dbraw/zinc/13/43/22/428134322.db2.gz AFSQGHGLDSKVAQ-CYBMUJFWSA-N 1 2 305.378 2.517 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000356345095 428134325 /nfs/dbraw/zinc/13/43/25/428134325.db2.gz AFSQGHGLDSKVAQ-CYBMUJFWSA-N 1 2 305.378 2.517 20 5 DFBDLO CC(C)(C)OC(=O)CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352707672 428213809 /nfs/dbraw/zinc/21/38/09/428213809.db2.gz BLQBUSDAFFQZAN-UHFFFAOYSA-N 1 2 322.361 2.521 20 5 DFBDLO CC(C)(C)OC(=O)CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352707672 428213813 /nfs/dbraw/zinc/21/38/13/428213813.db2.gz BLQBUSDAFFQZAN-UHFFFAOYSA-N 1 2 322.361 2.521 20 5 DFBDLO Cc1c(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC000378413522 428390798 /nfs/dbraw/zinc/39/07/98/428390798.db2.gz VNTVIIPVNTUATC-CYBMUJFWSA-N 1 2 300.318 2.604 20 5 DFBDLO Cc1c(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC000378413524 428391288 /nfs/dbraw/zinc/39/12/88/428391288.db2.gz VNTVIIPVNTUATC-ZDUSSCGKSA-N 1 2 300.318 2.604 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000342774127 428451262 /nfs/dbraw/zinc/45/12/62/428451262.db2.gz DLPPNUQFSLZEAF-LLVKDONJSA-N 1 2 302.309 2.820 20 5 DFBDLO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000372710580 428491470 /nfs/dbraw/zinc/49/14/70/428491470.db2.gz ABRQECFJLNZTTC-CYBMUJFWSA-N 1 2 316.361 2.674 20 5 DFBDLO COc1ccccc1[C@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000372710580 428491476 /nfs/dbraw/zinc/49/14/76/428491476.db2.gz ABRQECFJLNZTTC-CYBMUJFWSA-N 1 2 316.361 2.674 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000361590204 428580595 /nfs/dbraw/zinc/58/05/95/428580595.db2.gz TVFFKPFYGTVNPK-VHSXEESVSA-N 1 2 320.315 2.881 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000361590204 428580600 /nfs/dbraw/zinc/58/06/00/428580600.db2.gz TVFFKPFYGTVNPK-VHSXEESVSA-N 1 2 320.315 2.881 20 5 DFBDLO CN(C)c1ccc(Nc2ncnc3cccc([N+](=O)[O-])c32)c[nH+]1 ZINC000347437449 428576860 /nfs/dbraw/zinc/57/68/60/428576860.db2.gz VIZBOCZWYRKCOR-UHFFFAOYSA-N 1 2 310.317 2.743 20 5 DFBDLO CCOC(=O)C(C)(C)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353597492 428615547 /nfs/dbraw/zinc/61/55/47/428615547.db2.gz SUSCLORLYZDFRY-NTMALXAHSA-N 1 2 306.362 2.882 20 5 DFBDLO CCOC(=O)C(C)(C)[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353597492 428615552 /nfs/dbraw/zinc/61/55/52/428615552.db2.gz SUSCLORLYZDFRY-NTMALXAHSA-N 1 2 306.362 2.882 20 5 DFBDLO Cc1nc(NCc2ccccc2Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000348189998 428650262 /nfs/dbraw/zinc/65/02/62/428650262.db2.gz ZQHVPOLMOGYGJF-UHFFFAOYSA-N 1 2 323.356 3.155 20 5 DFBDLO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C12CCC2 ZINC000344470030 428655615 /nfs/dbraw/zinc/65/56/15/428655615.db2.gz VYVUACAYOBVENY-HUUCEWRRSA-N 1 2 306.362 2.738 20 5 DFBDLO Cc1c[nH+]ccc1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000358972706 428754777 /nfs/dbraw/zinc/75/47/77/428754777.db2.gz GIBSKUZCHDJZOX-UHFFFAOYSA-N 1 2 323.255 2.574 20 5 DFBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@](F)(c3ccccc3F)C2)n1 ZINC000374817018 428758271 /nfs/dbraw/zinc/75/82/71/428758271.db2.gz VBFZABBEZJMBNK-HNNXBMFYSA-N 1 2 322.315 2.501 20 5 DFBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@](F)(c3ccccc3F)C2)n1 ZINC000374817018 428758278 /nfs/dbraw/zinc/75/82/78/428758278.db2.gz VBFZABBEZJMBNK-HNNXBMFYSA-N 1 2 322.315 2.501 20 5 DFBDLO CC(=O)N1CC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000353919870 428776996 /nfs/dbraw/zinc/77/69/96/428776996.db2.gz KRHPQMBPLXDOHL-ZDUSSCGKSA-N 1 2 319.405 2.771 20 5 DFBDLO CC(=O)N1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000353919870 428777004 /nfs/dbraw/zinc/77/70/04/428777004.db2.gz KRHPQMBPLXDOHL-ZDUSSCGKSA-N 1 2 319.405 2.771 20 5 DFBDLO Cc1nc(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc[nH+]1 ZINC000362670901 428798799 /nfs/dbraw/zinc/79/87/99/428798799.db2.gz WZYDIEFPJIMWJL-UHFFFAOYSA-N 1 2 312.251 3.324 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(OC2CCC2)CC1 ZINC000418095678 428880735 /nfs/dbraw/zinc/88/07/35/428880735.db2.gz UJUIYEKZFZFRFZ-UHFFFAOYSA-N 1 2 306.362 2.834 20 5 DFBDLO O=[N+]([O-])c1cnc(N[C@H]2CCCN(c3cccc[nH+]3)C2)s1 ZINC000375597472 428919703 /nfs/dbraw/zinc/91/97/03/428919703.db2.gz KRWVUNDVOZPPMA-JTQLQIEISA-N 1 2 305.363 2.527 20 5 DFBDLO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccon1 ZINC000349244054 428946962 /nfs/dbraw/zinc/94/69/62/428946962.db2.gz NQDXVYBQAZDJEH-QMMMGPOBSA-N 1 2 324.724 2.526 20 5 DFBDLO Cc1[nH+]c2n(c1C)CCN(Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000375768474 428965132 /nfs/dbraw/zinc/96/51/32/428965132.db2.gz CFPWTXADSDDLBX-UHFFFAOYSA-N 1 2 304.325 2.563 20 5 DFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000433020429 428979609 /nfs/dbraw/zinc/97/96/09/428979609.db2.gz CIORYXGZUKFCJD-XQQVPVODSA-N 1 2 322.430 2.699 20 5 DFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000433020429 428979615 /nfs/dbraw/zinc/97/96/15/428979615.db2.gz CIORYXGZUKFCJD-XQQVPVODSA-N 1 2 322.430 2.699 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000363775495 428989980 /nfs/dbraw/zinc/98/99/80/428989980.db2.gz QYDOLRALNQNPFQ-MRXNPFEDSA-N 1 2 306.362 2.604 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000363775495 428989989 /nfs/dbraw/zinc/98/99/89/428989989.db2.gz QYDOLRALNQNPFQ-MRXNPFEDSA-N 1 2 306.362 2.604 20 5 DFBDLO CCC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000451885719 429009361 /nfs/dbraw/zinc/00/93/61/429009361.db2.gz HXRAQOJMCDRZHH-UHFFFAOYSA-N 1 2 314.345 2.653 20 5 DFBDLO COc1cc(C[N@@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000452107187 429058534 /nfs/dbraw/zinc/05/85/34/429058534.db2.gz AMZFVDLEWAIPID-RISCZKNCSA-N 1 2 324.352 2.599 20 5 DFBDLO COc1cc(C[N@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000452107187 429058538 /nfs/dbraw/zinc/05/85/38/429058538.db2.gz AMZFVDLEWAIPID-RISCZKNCSA-N 1 2 324.352 2.599 20 5 DFBDLO NC(=O)C1(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000413138002 429146613 /nfs/dbraw/zinc/14/66/13/429146613.db2.gz IOUWZKZLAWZHNT-UHFFFAOYSA-N 1 2 314.345 2.601 20 5 DFBDLO O=[N+]([O-])c1ccc(F)cc1NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000376442767 429113646 /nfs/dbraw/zinc/11/36/46/429113646.db2.gz NZAQDDFMPLBTFJ-UHFFFAOYSA-N 1 2 313.292 2.927 20 5 DFBDLO COc1c(C)c[nH+]c(CN(C)c2ncc([N+](=O)[O-])cc2F)c1C ZINC000413092517 429136480 /nfs/dbraw/zinc/13/64/80/429136480.db2.gz LOUZFEFQYALHOH-UHFFFAOYSA-N 1 2 320.324 2.786 20 5 DFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000456358551 429287116 /nfs/dbraw/zinc/28/71/16/429287116.db2.gz QDQJLCBXSPKSDW-LLVKDONJSA-N 1 2 302.334 2.611 20 5 DFBDLO Cc1[nH+]c[nH]c1CC(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C ZINC000456189634 429255065 /nfs/dbraw/zinc/25/50/65/429255065.db2.gz PAWMASNRGVILJO-UHFFFAOYSA-N 1 2 317.349 2.628 20 5 DFBDLO COc1cc(C[NH+]2CC(CC(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000425363129 429277708 /nfs/dbraw/zinc/27/77/08/429277708.db2.gz AXMXNRYKYXYVGC-UHFFFAOYSA-N 1 2 316.304 2.699 20 5 DFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000456368808 429290253 /nfs/dbraw/zinc/29/02/53/429290253.db2.gz CRTUMZHREXXXGG-NSHDSACASA-N 1 2 302.334 2.611 20 5 DFBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ccc([N+](=O)[O-])cc1F ZINC000365402992 429314507 /nfs/dbraw/zinc/31/45/07/429314507.db2.gz DNQIOYXXAKCMDV-UHFFFAOYSA-N 1 2 304.325 2.903 20 5 DFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425518616 429315284 /nfs/dbraw/zinc/31/52/84/429315284.db2.gz VSEITIKOKLEHIN-NSHDSACASA-N 1 2 321.768 2.677 20 5 DFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425518616 429315287 /nfs/dbraw/zinc/31/52/87/429315287.db2.gz VSEITIKOKLEHIN-NSHDSACASA-N 1 2 321.768 2.677 20 5 DFBDLO Cc1cc(C)c(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)c[nH+]1 ZINC000456845673 429356574 /nfs/dbraw/zinc/35/65/74/429356574.db2.gz SRCVLXCJAAFGTO-UHFFFAOYSA-N 1 2 317.320 2.605 20 5 DFBDLO CC1(C)CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC[S@@]1=O ZINC000449570042 429450827 /nfs/dbraw/zinc/45/08/27/429450827.db2.gz FVWFLYKMZAMOGQ-GSRQWWPUSA-N 1 2 322.430 2.841 20 5 DFBDLO CC1(C)CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC[S@@]1=O ZINC000449570042 429450832 /nfs/dbraw/zinc/45/08/32/429450832.db2.gz FVWFLYKMZAMOGQ-GSRQWWPUSA-N 1 2 322.430 2.841 20 5 DFBDLO [NH3+][C@@H](CC1CCCCC1)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000519598337 429468266 /nfs/dbraw/zinc/46/82/66/429468266.db2.gz DQOBACVMQCYTCO-LBPRGKRZSA-N 1 2 307.350 2.537 20 5 DFBDLO COC(=O)[C@@H](CC(C)C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000449431277 429416632 /nfs/dbraw/zinc/41/66/32/429416632.db2.gz XJKIIXALLMHEKB-OAHLLOKOSA-N 1 2 308.378 2.923 20 5 DFBDLO COC(=O)[C@@H](CC(C)C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000449431277 429416636 /nfs/dbraw/zinc/41/66/36/429416636.db2.gz XJKIIXALLMHEKB-OAHLLOKOSA-N 1 2 308.378 2.923 20 5 DFBDLO CC/C=C\C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000449463411 429424332 /nfs/dbraw/zinc/42/43/32/429424332.db2.gz WXPRILCGIBHXKV-XVWMLYKFSA-N 1 2 300.362 2.974 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000449458713 429424886 /nfs/dbraw/zinc/42/48/86/429424886.db2.gz WNTQICANSCSXJP-DJIMGWMZSA-N 1 2 320.389 2.816 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000449458713 429424891 /nfs/dbraw/zinc/42/48/91/429424891.db2.gz WNTQICANSCSXJP-DJIMGWMZSA-N 1 2 320.389 2.816 20 5 DFBDLO Cc1c[nH]c(-c2ccccc2NC(=O)c2ccc([N+](=O)[O-])[nH]2)[nH+]1 ZINC000427179889 429436945 /nfs/dbraw/zinc/43/69/45/429436945.db2.gz WHHYCDOQICWIIS-UHFFFAOYSA-N 1 2 311.301 2.874 20 5 DFBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCO[C@@H]4C[C@@H]43)o2)cc1 ZINC000366561331 429475284 /nfs/dbraw/zinc/47/52/84/429475284.db2.gz RPMCHBUDVSEZST-GOEBONIOSA-N 1 2 300.314 2.828 20 5 DFBDLO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCO[C@@H]4C[C@@H]43)o2)cc1 ZINC000366561331 429475289 /nfs/dbraw/zinc/47/52/89/429475289.db2.gz RPMCHBUDVSEZST-GOEBONIOSA-N 1 2 300.314 2.828 20 5 DFBDLO Cn1cc[nH+]c1[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000366983788 429552597 /nfs/dbraw/zinc/55/25/97/429552597.db2.gz SQORCYDAHVKAMH-AWEZNQCLSA-N 1 2 304.325 2.805 20 5 DFBDLO Cc1ccc([C@H](C)NC(=O)C=Cc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000492816195 429621071 /nfs/dbraw/zinc/62/10/71/429621071.db2.gz ZJYVIVBKMNXKLG-QRGHLMKCSA-N 1 2 300.318 2.517 20 5 DFBDLO CCC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)CCO1 ZINC000492720197 429601884 /nfs/dbraw/zinc/60/18/84/429601884.db2.gz HGIWRSWMLLRFGC-CQSZACIVSA-N 1 2 308.378 2.994 20 5 DFBDLO CCC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)CCO1 ZINC000492720197 429601889 /nfs/dbraw/zinc/60/18/89/429601889.db2.gz HGIWRSWMLLRFGC-CQSZACIVSA-N 1 2 308.378 2.994 20 5 DFBDLO CC(C)O[C@H]1C[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000361907398 275973121 /nfs/dbraw/zinc/97/31/21/275973121.db2.gz XJOFGWCRISMHGU-GJZGRUSLSA-N 1 2 308.378 2.982 20 5 DFBDLO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](C)n3cc[nH+]c32)c1 ZINC000450828044 429708800 /nfs/dbraw/zinc/70/88/00/429708800.db2.gz JDOFPKXHHUKFPW-SKDRFNHKSA-N 1 2 316.317 2.696 20 5 DFBDLO CCC[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000483823663 429738897 /nfs/dbraw/zinc/73/88/97/429738897.db2.gz PXXZPZBUODGLGJ-OCCSQVGLSA-N 1 2 308.378 2.847 20 5 DFBDLO CC1(C)COCC[N@@H+]1CCNc1c(Cl)cccc1[N+](=O)[O-] ZINC000432333735 429814493 /nfs/dbraw/zinc/81/44/93/429814493.db2.gz CWHPKTCKOXRGRB-UHFFFAOYSA-N 1 2 313.785 2.771 20 5 DFBDLO CC1(C)COCC[N@H+]1CCNc1c(Cl)cccc1[N+](=O)[O-] ZINC000432333735 429814495 /nfs/dbraw/zinc/81/44/95/429814495.db2.gz CWHPKTCKOXRGRB-UHFFFAOYSA-N 1 2 313.785 2.771 20 5 DFBDLO Cc1nc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c2n1CCCC2 ZINC000369429415 429943605 /nfs/dbraw/zinc/94/36/05/429943605.db2.gz VUVVKASALNGXLX-UHFFFAOYSA-N 1 2 300.362 2.726 20 5 DFBDLO CC[C@@H]([NH2+][C@@H](C)c1nccc(N)n1)c1cccc([N+](=O)[O-])c1 ZINC000593969605 430499451 /nfs/dbraw/zinc/49/94/51/430499451.db2.gz BGVRZUFFLWVTFN-GXFFZTMASA-N 1 2 301.350 2.769 20 5 DFBDLO C[N@@H+](Cc1cc(CO)ccc1F)Cc1ccccc1[N+](=O)[O-] ZINC000599258005 430529099 /nfs/dbraw/zinc/52/90/99/430529099.db2.gz CDSMTXYOASZBPH-UHFFFAOYSA-N 1 2 304.321 2.858 20 5 DFBDLO C[N@H+](Cc1cc(CO)ccc1F)Cc1ccccc1[N+](=O)[O-] ZINC000599258005 430529102 /nfs/dbraw/zinc/52/91/02/430529102.db2.gz CDSMTXYOASZBPH-UHFFFAOYSA-N 1 2 304.321 2.858 20 5 DFBDLO O=[N+]([O-])c1cccc(CNc2[nH+]c(C3CC3)nc3[nH]ccc32)c1 ZINC000601107925 430535812 /nfs/dbraw/zinc/53/58/12/430535812.db2.gz DCDRFCQMNLCHBJ-UHFFFAOYSA-N 1 2 309.329 3.356 20 5 DFBDLO COc1cc(F)c([N+](=O)[O-])c(N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000301439148 277822738 /nfs/dbraw/zinc/82/27/38/277822738.db2.gz LSDWMKYAVJZTDC-UHFFFAOYSA-N 1 2 320.324 2.781 20 5 DFBDLO COc1cccc(NCc2ccc[nH+]c2N(C)C)c1[N+](=O)[O-] ZINC000185178074 278018138 /nfs/dbraw/zinc/01/81/38/278018138.db2.gz PIKOFKKMFLEHEV-UHFFFAOYSA-N 1 2 302.334 2.677 20 5 DFBDLO CC(C)c1nnc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])n1C ZINC000271808565 278100389 /nfs/dbraw/zinc/10/03/89/278100389.db2.gz XYLSZCCXFRKEQI-NSHDSACASA-N 1 2 303.366 2.698 20 5 DFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@H](C)C1 ZINC000299645786 278214194 /nfs/dbraw/zinc/21/41/94/278214194.db2.gz NNOXNLBWBPYMJC-ZJUUUORDSA-N 1 2 311.769 2.917 20 5 DFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@H](C)C1 ZINC000299645786 278214196 /nfs/dbraw/zinc/21/41/96/278214196.db2.gz NNOXNLBWBPYMJC-ZJUUUORDSA-N 1 2 311.769 2.917 20 5 DFBDLO CCOC(=O)[C@H]1CCC[N@@H+]1[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572735423 430696558 /nfs/dbraw/zinc/69/65/58/430696558.db2.gz VJJQAEPNHPEAMD-UKRRQHHQSA-N 1 2 304.346 2.610 20 5 DFBDLO CCOC(=O)[C@H]1CCC[N@H+]1[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572735423 430696559 /nfs/dbraw/zinc/69/65/59/430696559.db2.gz VJJQAEPNHPEAMD-UKRRQHHQSA-N 1 2 304.346 2.610 20 5 DFBDLO Cc1cn2c([nH+]1)CN(c1nc3ccccc3cc1[N+](=O)[O-])CC2 ZINC000365025893 279003878 /nfs/dbraw/zinc/00/38/78/279003878.db2.gz JCQUZRJJDNNBOP-UHFFFAOYSA-N 1 2 309.329 2.668 20 5 DFBDLO C[C@@]1(O)CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290065991 279173905 /nfs/dbraw/zinc/17/39/05/279173905.db2.gz TUAMCYCSCDOBEG-GFCCVEGCSA-N 1 2 305.161 2.858 20 5 DFBDLO C[C@@]1(O)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290065991 279173907 /nfs/dbraw/zinc/17/39/07/279173907.db2.gz TUAMCYCSCDOBEG-GFCCVEGCSA-N 1 2 305.161 2.858 20 5 DFBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000295136315 288722730 /nfs/dbraw/zinc/72/27/30/288722730.db2.gz LSCCEDNGLMDHKA-ZDUSSCGKSA-N 1 2 322.409 2.792 20 5 DFBDLO Cn1cc([C@H]2CSCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000191755542 294303477 /nfs/dbraw/zinc/30/34/77/294303477.db2.gz COJMIAWBPPOAFQ-OAHLLOKOSA-N 1 2 318.402 2.618 20 5 DFBDLO Cn1cc([C@H]2CSCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000191755542 294303479 /nfs/dbraw/zinc/30/34/79/294303479.db2.gz COJMIAWBPPOAFQ-OAHLLOKOSA-N 1 2 318.402 2.618 20 5 DFBDLO Cc1cn2c([nH+]1)CN([C@@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000363697780 295435679 /nfs/dbraw/zinc/43/56/79/295435679.db2.gz IGOCNGJKPDQBPX-ZDUSSCGKSA-N 1 2 300.362 2.985 20 5 DFBDLO Cc1cn2c([nH+]1)CN([C@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000363697779 295435791 /nfs/dbraw/zinc/43/57/91/295435791.db2.gz IGOCNGJKPDQBPX-CYBMUJFWSA-N 1 2 300.362 2.985 20 5 DFBDLO CC[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1[nH]cc[nH+]1 ZINC000442805292 297207708 /nfs/dbraw/zinc/20/77/08/297207708.db2.gz ZYMAJRURTHOMCN-SNVBAGLBSA-N 1 2 313.317 2.680 20 5 DFBDLO C[C@@H]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000444462491 297237085 /nfs/dbraw/zinc/23/70/85/297237085.db2.gz DCUVSSYSFOLNBQ-YPMHNXCESA-N 1 2 314.345 2.699 20 5 DFBDLO CCc1cnc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC000446849067 297288881 /nfs/dbraw/zinc/28/88/81/297288881.db2.gz LGAMRCFIASBXEA-UHFFFAOYSA-N 1 2 317.374 2.780 20 5 DFBDLO O=[N+]([O-])c1ccc(CN[C@H](c2[nH]cc[nH+]2)c2ccccn2)cc1 ZINC000447579627 297309153 /nfs/dbraw/zinc/30/91/53/297309153.db2.gz KWNCMFTXHAKAAC-HNNXBMFYSA-N 1 2 309.329 2.592 20 5 DFBDLO CCO[C@H](CC[NH+]=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)C(C)C ZINC000447687543 297312997 /nfs/dbraw/zinc/31/29/97/297312997.db2.gz UYIIEZKLIAMJIV-CQSZACIVSA-N 1 2 306.366 2.756 20 5 DFBDLO CN(CC(C)(C)C)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447811836 297317940 /nfs/dbraw/zinc/31/79/40/297317940.db2.gz PEWVPFIJGFVODU-UHFFFAOYSA-N 1 2 321.421 2.909 20 5 DFBDLO CC(C)CN(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448673575 297355246 /nfs/dbraw/zinc/35/52/46/297355246.db2.gz SBOIAGOSPPQXDV-UHFFFAOYSA-N 1 2 302.334 2.509 20 5 DFBDLO C[C@@H](C1CC1)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448688454 297356921 /nfs/dbraw/zinc/35/69/21/297356921.db2.gz BOHUHIURKXQERO-NSHDSACASA-N 1 2 314.345 2.651 20 5 DFBDLO O=[N+]([O-])c1cnccc1N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000450538417 297641220 /nfs/dbraw/zinc/64/12/20/297641220.db2.gz ZCYMXGJZUTZRMU-JOCQHMNTSA-N 1 2 313.361 2.642 20 5 DFBDLO C[C@@H]1C[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)c2[nH+]ccn21 ZINC000450825186 297695237 /nfs/dbraw/zinc/69/52/37/297695237.db2.gz XWBKQLFJOMZTLZ-VXNVDRBHSA-N 1 2 316.346 2.914 20 5 DFBDLO C[C@@H]1C[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)c2[nH+]ccn21 ZINC000450825266 297695271 /nfs/dbraw/zinc/69/52/71/297695271.db2.gz DZBIWIYTMOFPTC-KOLCDFICSA-N 1 2 310.317 2.852 20 5 DFBDLO CC[C@@H]1C[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000452770806 298021731 /nfs/dbraw/zinc/02/17/31/298021731.db2.gz DYSREKVCKBKCNI-YPMHNXCESA-N 1 2 314.345 2.556 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000454137629 298125017 /nfs/dbraw/zinc/12/50/17/298125017.db2.gz BUWCWDUHGAGKEZ-ZWNOBZJWSA-N 1 2 315.333 2.927 20 5 DFBDLO C[C@H]1C[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000454140666 298125289 /nfs/dbraw/zinc/12/52/89/298125289.db2.gz QDGHEOFKBYRRKG-JOYOIKCWSA-N 1 2 301.306 2.619 20 5 DFBDLO Cc1ccc(NC(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000454139935 298125328 /nfs/dbraw/zinc/12/53/28/298125328.db2.gz FHDORXXUNHLYEG-ZYHUDNBSSA-N 1 2 315.333 2.927 20 5 DFBDLO Cc1ccc(NC(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000454139931 298125365 /nfs/dbraw/zinc/12/53/65/298125365.db2.gz FHDORXXUNHLYEG-JQWIXIFHSA-N 1 2 315.333 2.927 20 5 DFBDLO Cc1ccc(NC(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000454139929 298125543 /nfs/dbraw/zinc/12/55/43/298125543.db2.gz FHDORXXUNHLYEG-CMPLNLGQSA-N 1 2 315.333 2.927 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000454211894 298137286 /nfs/dbraw/zinc/13/72/86/298137286.db2.gz PFRQZTKCZZDFMR-GFCCVEGCSA-N 1 2 314.345 2.609 20 5 DFBDLO Cc1cc(NC(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)ccc1[N+](=O)[O-] ZINC000455082208 298296352 /nfs/dbraw/zinc/29/63/52/298296352.db2.gz ITTWHCNIKWFPNL-ZYHUDNBSSA-N 1 2 315.333 2.927 20 5 DFBDLO Cc1cc(NC(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)ccc1[N+](=O)[O-] ZINC000455082207 298296616 /nfs/dbraw/zinc/29/66/16/298296616.db2.gz ITTWHCNIKWFPNL-PWSUYJOCSA-N 1 2 315.333 2.927 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456420439 298524975 /nfs/dbraw/zinc/52/49/75/298524975.db2.gz MONYVVQPROBSQN-MNOVXSKESA-N 1 2 300.318 2.536 20 5 DFBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCc2c[nH+]c(C)cc2C)c1 ZINC000456843133 298588706 /nfs/dbraw/zinc/58/87/06/298588706.db2.gz GWLUGHPDRQBCFG-UHFFFAOYSA-N 1 2 315.329 2.545 20 5 DFBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)(C)C ZINC000517150343 300385001 /nfs/dbraw/zinc/38/50/01/300385001.db2.gz LEYFYXGYXSEFPG-UHFFFAOYSA-N 1 2 302.334 2.651 20 5 DFBDLO C[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000533295444 301194744 /nfs/dbraw/zinc/19/47/44/301194744.db2.gz ZYEVVBZXYOHWMM-ZJUUUORDSA-N 1 2 311.769 2.917 20 5 DFBDLO C[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000533295444 301194746 /nfs/dbraw/zinc/19/47/46/301194746.db2.gz ZYEVVBZXYOHWMM-ZJUUUORDSA-N 1 2 311.769 2.917 20 5 DFBDLO Cc1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c(C)c[nH+]1 ZINC000534299187 301225494 /nfs/dbraw/zinc/22/54/94/301225494.db2.gz MJSFROQIYHFDPI-UHFFFAOYSA-N 1 2 305.721 2.934 20 5 DFBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C)c[nH+]1 ZINC000535036544 301244486 /nfs/dbraw/zinc/24/44/86/301244486.db2.gz ZCYARGFRQNPQSR-UHFFFAOYSA-N 1 2 305.721 2.934 20 5 DFBDLO CC(C)n1cc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cn1 ZINC000537622615 301306476 /nfs/dbraw/zinc/30/64/76/301306476.db2.gz DMQZJLBWDSSROA-UHFFFAOYSA-N 1 2 300.362 2.931 20 5 DFBDLO CC(C)n1cc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cn1 ZINC000537622615 301306477 /nfs/dbraw/zinc/30/64/77/301306477.db2.gz DMQZJLBWDSSROA-UHFFFAOYSA-N 1 2 300.362 2.931 20 5 DFBDLO Cn1cc[nH+]c1[C@@H]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000566413140 302284756 /nfs/dbraw/zinc/28/47/56/302284756.db2.gz BPLDIXRKCJQJFG-SNVBAGLBSA-N 1 2 322.315 2.596 20 5 DFBDLO Cn1ccnc1[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000566413140 302284759 /nfs/dbraw/zinc/28/47/59/302284759.db2.gz BPLDIXRKCJQJFG-SNVBAGLBSA-N 1 2 322.315 2.596 20 5 DFBDLO Cn1ccnc1[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000566413140 302284762 /nfs/dbraw/zinc/28/47/62/302284762.db2.gz BPLDIXRKCJQJFG-SNVBAGLBSA-N 1 2 322.315 2.596 20 5 DFBDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000566442489 302286940 /nfs/dbraw/zinc/28/69/40/302286940.db2.gz ROWJGIZWZNVKKL-NSHDSACASA-N 1 2 316.361 2.548 20 5 DFBDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000566442489 302286942 /nfs/dbraw/zinc/28/69/42/302286942.db2.gz ROWJGIZWZNVKKL-NSHDSACASA-N 1 2 316.361 2.548 20 5 DFBDLO C[N@@H+]1CCO[C@@H](CSc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000566734744 302308165 /nfs/dbraw/zinc/30/81/65/302308165.db2.gz HKBYAUJGFUJHQR-GFCCVEGCSA-N 1 2 319.386 2.566 20 5 DFBDLO C[N@H+]1CCO[C@@H](CSc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000566734744 302308168 /nfs/dbraw/zinc/30/81/68/302308168.db2.gz HKBYAUJGFUJHQR-GFCCVEGCSA-N 1 2 319.386 2.566 20 5 DFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1C2CCC1CC2 ZINC000573910726 302729864 /nfs/dbraw/zinc/72/98/64/302729864.db2.gz QDVISMUUAFFSDG-UHFFFAOYSA-N 1 2 312.329 2.548 20 5 DFBDLO C[C@@H]1C[C@H]1c1noc(-c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000351081016 316461803 /nfs/dbraw/zinc/46/18/03/316461803.db2.gz IWOWRGLBKZILSU-MWLCHTKSSA-N 1 2 311.301 2.954 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCNc1cccc[nH+]1 ZINC000446488400 317013489 /nfs/dbraw/zinc/01/34/89/317013489.db2.gz MFMIYKQUZVQULG-UHFFFAOYSA-N 1 2 315.333 2.532 20 5 DFBDLO CC1(C)CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448900350 317025439 /nfs/dbraw/zinc/02/54/39/317025439.db2.gz YYSNOFKYILMNPA-UHFFFAOYSA-N 1 2 314.345 2.795 20 5 DFBDLO C[N@H+](Cc1cc(=O)[nH]c(C2CC2)n1)Cc1ccccc1[N+](=O)[O-] ZINC000459301457 317314705 /nfs/dbraw/zinc/31/47/05/317314705.db2.gz WFYLURRDFCNOHL-UHFFFAOYSA-N 1 2 314.345 2.600 20 5 DFBDLO C[N@@H+](Cc1cc(=O)[nH]c(C2CC2)n1)Cc1ccccc1[N+](=O)[O-] ZINC000459301457 317314708 /nfs/dbraw/zinc/31/47/08/317314708.db2.gz WFYLURRDFCNOHL-UHFFFAOYSA-N 1 2 314.345 2.600 20 5 DFBDLO Cc1cc(NC(=O)C=Cc2ccc(F)cc2[N+](=O)[O-])cc[nH+]1 ZINC000491868052 317600744 /nfs/dbraw/zinc/60/07/44/317600744.db2.gz NUBQBIRITMMFOZ-HYXAFXHYSA-N 1 2 301.277 2.511 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1cccc(O)c1 ZINC000572938350 318008742 /nfs/dbraw/zinc/00/87/42/318008742.db2.gz LBRKPUXBTPXMCI-UHFFFAOYSA-N 1 2 302.330 2.941 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1cccc(O)c1 ZINC000572938350 318008743 /nfs/dbraw/zinc/00/87/43/318008743.db2.gz LBRKPUXBTPXMCI-UHFFFAOYSA-N 1 2 302.330 2.941 20 5 DFBDLO Cc1noc([C@@H](C)[N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000577747204 318214828 /nfs/dbraw/zinc/21/48/28/318214828.db2.gz TUNCAOVUIHWDQI-LXSSAFMLSA-N 1 2 302.334 2.992 20 5 DFBDLO Cc1noc([C@@H](C)[N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000577747204 318214831 /nfs/dbraw/zinc/21/48/31/318214831.db2.gz TUNCAOVUIHWDQI-LXSSAFMLSA-N 1 2 302.334 2.992 20 5 DFBDLO C[C@H](CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC000578753005 318282735 /nfs/dbraw/zinc/28/27/35/318282735.db2.gz DUPKYGBYOYXWTB-GFCCVEGCSA-N 1 2 316.361 2.794 20 5 DFBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nnc2n1CCCCC2 ZINC000319751623 533925555 /nfs/dbraw/zinc/92/55/55/533925555.db2.gz JFSGIZZJODDHRZ-LBPRGKRZSA-N 1 2 315.377 2.764 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000361590203 536454669 /nfs/dbraw/zinc/45/46/69/536454669.db2.gz TVFFKPFYGTVNPK-UWVGGRQHSA-N 1 2 320.315 2.881 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000361590203 536454674 /nfs/dbraw/zinc/45/46/74/536454674.db2.gz TVFFKPFYGTVNPK-UWVGGRQHSA-N 1 2 320.315 2.881 20 5 DFBDLO CC(C)(CCC(=O)Nc1cccc(-n2cc[nH+]c2)c1)[N+](=O)[O-] ZINC000294419277 527008374 /nfs/dbraw/zinc/00/83/74/527008374.db2.gz JOTVIALRDLEBTN-UHFFFAOYSA-N 1 2 302.334 2.646 20 5 DFBDLO CC[C@@H]([NH2+]Cc1nn(CC)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000295863750 529191177 /nfs/dbraw/zinc/19/11/77/529191177.db2.gz WZVMUCXDHWHQNP-CQSZACIVSA-N 1 2 303.366 2.756 20 5 DFBDLO CC[C@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000362660787 536150921 /nfs/dbraw/zinc/15/09/21/536150921.db2.gz AYXSRGFMOTXNAT-LBPRGKRZSA-N 1 2 313.785 2.771 20 5 DFBDLO CC[C@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000362660787 536150925 /nfs/dbraw/zinc/15/09/25/536150925.db2.gz AYXSRGFMOTXNAT-LBPRGKRZSA-N 1 2 313.785 2.771 20 5 DFBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)C(F)(F)F ZINC000181257604 199272365 /nfs/dbraw/zinc/27/23/65/199272365.db2.gz WTMVUSJCLRAISU-SNVBAGLBSA-N 1 2 312.675 2.603 20 5 DFBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)C(F)(F)F ZINC000181257604 199272366 /nfs/dbraw/zinc/27/23/66/199272366.db2.gz WTMVUSJCLRAISU-SNVBAGLBSA-N 1 2 312.675 2.603 20 5 DFBDLO CCn1cc[nH+]c1CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000294906867 529580881 /nfs/dbraw/zinc/58/08/81/529580881.db2.gz FHVSOKXPJZQKPH-UHFFFAOYSA-N 1 2 315.255 2.837 20 5 DFBDLO C[C@H](O)C[C@@H]1CCCN1c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413201897 295685724 /nfs/dbraw/zinc/68/57/24/295685724.db2.gz KWOOONGNOSSMCC-AAEUAGOBSA-N 1 2 301.346 2.883 20 5 DFBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCCc2ccc(C)c[nH+]2)c1 ZINC000413348081 295700363 /nfs/dbraw/zinc/70/03/63/295700363.db2.gz BVUAONPLKUMTSB-UHFFFAOYSA-N 1 2 315.329 2.739 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000592186946 398399263 /nfs/dbraw/zinc/39/92/63/398399263.db2.gz DWKAJTMAWNMBFR-GFCCVEGCSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000592186946 398399266 /nfs/dbraw/zinc/39/92/66/398399266.db2.gz DWKAJTMAWNMBFR-GFCCVEGCSA-N 1 2 306.362 2.747 20 5 DFBDLO CN(C)c1[nH+]cccc1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000302445434 529814426 /nfs/dbraw/zinc/81/44/26/529814426.db2.gz NYGNUTHTVBZLDW-UHFFFAOYSA-N 1 2 313.361 2.636 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCn2cccc2[C@H]1C ZINC000023706816 398426456 /nfs/dbraw/zinc/42/64/56/398426456.db2.gz VRVBFIMGLSUVRB-GFCCVEGCSA-N 1 2 301.346 2.982 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCn2cccc2[C@H]1C ZINC000023706816 398426458 /nfs/dbraw/zinc/42/64/58/398426458.db2.gz VRVBFIMGLSUVRB-GFCCVEGCSA-N 1 2 301.346 2.982 20 5 DFBDLO Cc1nc(C(C)(C)[NH2+]CCCOc2ccc([N+](=O)[O-])cc2)no1 ZINC000264252482 398436212 /nfs/dbraw/zinc/43/62/12/398436212.db2.gz ALSGOWQJPHJMEA-UHFFFAOYSA-N 1 2 320.349 2.580 20 5 DFBDLO O=[N+]([O-])c1ccc(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)s1 ZINC000596514964 398436173 /nfs/dbraw/zinc/43/61/73/398436173.db2.gz QBUNOOLGVIICAP-VXGBXAGGSA-N 1 2 323.418 2.712 20 5 DFBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H](C)c1[nH+]ccn1C ZINC000596541272 398442800 /nfs/dbraw/zinc/44/28/00/398442800.db2.gz DUWYVCSLNVKASN-SNVBAGLBSA-N 1 2 318.333 2.596 20 5 DFBDLO C[C@H](Nc1ccc(N(C)CCO)c[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000305860131 398506975 /nfs/dbraw/zinc/50/69/75/398506975.db2.gz XEGAJUALRUSBFM-LBPRGKRZSA-N 1 2 316.361 2.591 20 5 DFBDLO CC(C)(C)[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000279672001 215049718 /nfs/dbraw/zinc/04/97/18/215049718.db2.gz DNRALUHEKKTWGF-AWEZNQCLSA-N 1 2 319.361 2.983 20 5 DFBDLO CC(C)(C)[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000279672001 215049721 /nfs/dbraw/zinc/04/97/21/215049721.db2.gz DNRALUHEKKTWGF-AWEZNQCLSA-N 1 2 319.361 2.983 20 5 DFBDLO CCC[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032480778 398531900 /nfs/dbraw/zinc/53/19/00/398531900.db2.gz GLTAQCNPLYMJNF-LLVKDONJSA-N 1 2 302.334 2.699 20 5 DFBDLO CC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCCOC1 ZINC000593069245 398537656 /nfs/dbraw/zinc/53/76/56/398537656.db2.gz IXDJTXYGCSSLNK-SNVBAGLBSA-N 1 2 300.305 2.874 20 5 DFBDLO CC[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCCOC1 ZINC000593069245 398537660 /nfs/dbraw/zinc/53/76/60/398537660.db2.gz IXDJTXYGCSSLNK-SNVBAGLBSA-N 1 2 300.305 2.874 20 5 DFBDLO COc1cc(C[N@@H+]2C[C@H](C)OCC23CCC3)ccc1[N+](=O)[O-] ZINC000593091346 398542729 /nfs/dbraw/zinc/54/27/29/398542729.db2.gz GODLLROSCBPGMD-LBPRGKRZSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1cc(C[N@H+]2C[C@H](C)OCC23CCC3)ccc1[N+](=O)[O-] ZINC000593091346 398542734 /nfs/dbraw/zinc/54/27/34/398542734.db2.gz GODLLROSCBPGMD-LBPRGKRZSA-N 1 2 306.362 2.747 20 5 DFBDLO O=[N+]([O-])c1ccc2ncnc(NCCCCn3cc[nH+]c3)c2c1 ZINC000322044261 398555788 /nfs/dbraw/zinc/55/57/88/398555788.db2.gz WARDIYYHOIWFFV-UHFFFAOYSA-N 1 2 312.333 2.627 20 5 DFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)Cc2ccoc2C)c1 ZINC000589496649 398557348 /nfs/dbraw/zinc/55/73/48/398557348.db2.gz BETVJHKKKSMQCQ-UHFFFAOYSA-N 1 2 318.329 2.915 20 5 DFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)Cc2ccoc2C)c1 ZINC000589496649 398557352 /nfs/dbraw/zinc/55/73/52/398557352.db2.gz BETVJHKKKSMQCQ-UHFFFAOYSA-N 1 2 318.329 2.915 20 5 DFBDLO Cc1[nH+]c2n(c1C)CCN(c1c3ccccc3ncc1[N+](=O)[O-])C2 ZINC000589861872 398580526 /nfs/dbraw/zinc/58/05/26/398580526.db2.gz UGKXWZNRESWQIK-UHFFFAOYSA-N 1 2 323.356 2.977 20 5 DFBDLO COCCC1C[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000597184445 398583894 /nfs/dbraw/zinc/58/38/94/398583894.db2.gz XAVCHLSGHWPTIA-UHFFFAOYSA-N 1 2 316.304 2.665 20 5 DFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2nccnc2C1 ZINC000597235148 398600083 /nfs/dbraw/zinc/60/00/83/398600083.db2.gz DPRXGJNPYMZKPO-UKTHLTGXSA-N 1 2 310.357 2.846 20 5 DFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCc2nccnc2C1 ZINC000597235148 398600087 /nfs/dbraw/zinc/60/00/87/398600087.db2.gz DPRXGJNPYMZKPO-UKTHLTGXSA-N 1 2 310.357 2.846 20 5 DFBDLO CCOCCN(C)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092963024 398610325 /nfs/dbraw/zinc/61/03/25/398610325.db2.gz CRNBCSIDFUTKFQ-UHFFFAOYSA-N 1 2 316.361 2.833 20 5 DFBDLO CC[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000140669999 186027630 /nfs/dbraw/zinc/02/76/30/186027630.db2.gz ZLHGZCBWAYRSGX-NSHDSACASA-N 1 2 308.725 2.852 20 5 DFBDLO COc1cc(NCCNc2cccc[nH+]2)c([N+](=O)[O-])cc1C ZINC000590570567 398632932 /nfs/dbraw/zinc/63/29/32/398632932.db2.gz OOPIWABMKQBTDZ-UHFFFAOYSA-N 1 2 302.334 2.831 20 5 DFBDLO C[C@H]1CCN(c2c(Cl)cncc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000590587072 398635607 /nfs/dbraw/zinc/63/56/07/398635607.db2.gz VMMKDXKBZYNICI-GXFFZTMASA-N 1 2 321.768 2.927 20 5 DFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000164295053 186155262 /nfs/dbraw/zinc/15/52/62/186155262.db2.gz YXLGETOLPZRXLS-AXFHLTTASA-N 1 2 307.350 2.500 20 5 DFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000164295053 186155264 /nfs/dbraw/zinc/15/52/64/186155264.db2.gz YXLGETOLPZRXLS-AXFHLTTASA-N 1 2 307.350 2.500 20 5 DFBDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093863679 398647088 /nfs/dbraw/zinc/64/70/88/398647088.db2.gz BMWOPPRQOAXSBR-HNNXBMFYSA-N 1 2 316.361 2.543 20 5 DFBDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093863679 398647091 /nfs/dbraw/zinc/64/70/91/398647091.db2.gz BMWOPPRQOAXSBR-HNNXBMFYSA-N 1 2 316.361 2.543 20 5 DFBDLO C[C@H](CO)C1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000593506977 398649335 /nfs/dbraw/zinc/64/93/35/398649335.db2.gz WORYXDNMNJFTOH-GFCCVEGCSA-N 1 2 315.373 2.988 20 5 DFBDLO Cc1cc(N2CC[C@@H](CNc3cccc[nH+]3)C2)ncc1[N+](=O)[O-] ZINC000266860287 186362801 /nfs/dbraw/zinc/36/28/01/186362801.db2.gz WPMMEYKOUZNYFO-ZDUSSCGKSA-N 1 2 313.361 2.632 20 5 DFBDLO COC[C@@H](C)N(C)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171987726 198020933 /nfs/dbraw/zinc/02/09/33/198020933.db2.gz PKDJHNGNTADLLA-GFCCVEGCSA-N 1 2 316.361 2.831 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000597666589 398677450 /nfs/dbraw/zinc/67/74/50/398677450.db2.gz JKNYQPNQYWIPPR-LBPRGKRZSA-N 1 2 314.345 2.609 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000597669563 398677641 /nfs/dbraw/zinc/67/76/41/398677641.db2.gz UMWUOWFZLACNHQ-SNVBAGLBSA-N 1 2 302.334 2.752 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000597669563 398677644 /nfs/dbraw/zinc/67/76/44/398677644.db2.gz UMWUOWFZLACNHQ-SNVBAGLBSA-N 1 2 302.334 2.752 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC[C@@H]1CC(C)C ZINC000072979054 191263536 /nfs/dbraw/zinc/26/35/36/191263536.db2.gz ZFVCGSVRPIWIGO-HNNXBMFYSA-N 1 2 308.378 2.850 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC[C@@H]1CC(C)C ZINC000072979054 191263538 /nfs/dbraw/zinc/26/35/38/191263538.db2.gz ZFVCGSVRPIWIGO-HNNXBMFYSA-N 1 2 308.378 2.850 20 5 DFBDLO COCC[N@H+](Cc1cccnc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000277139621 213320244 /nfs/dbraw/zinc/32/02/44/213320244.db2.gz UHISIEODPOOXKV-UHFFFAOYSA-N 1 2 319.336 2.778 20 5 DFBDLO COCC[N@@H+](Cc1cccnc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000277139621 213320248 /nfs/dbraw/zinc/32/02/48/213320248.db2.gz UHISIEODPOOXKV-UHFFFAOYSA-N 1 2 319.336 2.778 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCOC[C@H]3CCCO3)c2c1 ZINC000591147215 398731589 /nfs/dbraw/zinc/73/15/89/398731589.db2.gz QWVADOKTQIUTCX-CQSZACIVSA-N 1 2 317.345 2.751 20 5 DFBDLO CC1(C)CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC[C@@H]1O ZINC000591156137 398734156 /nfs/dbraw/zinc/73/41/56/398734156.db2.gz YIKODNUSBBGKOU-AWEZNQCLSA-N 1 2 301.346 2.740 20 5 DFBDLO COC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1C)C1CCCC1 ZINC000134176735 283175430 /nfs/dbraw/zinc/17/54/30/283175430.db2.gz OZCAWVDTSPDUAJ-UHFFFAOYSA-N 1 2 306.362 2.821 20 5 DFBDLO COC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C1CCCC1 ZINC000134176735 283175435 /nfs/dbraw/zinc/17/54/35/283175435.db2.gz OZCAWVDTSPDUAJ-UHFFFAOYSA-N 1 2 306.362 2.821 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075533121 398808525 /nfs/dbraw/zinc/80/85/25/398808525.db2.gz FRERBLNQAPKTGO-LBPRGKRZSA-N 1 2 314.345 2.646 20 5 DFBDLO Cc1c(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cccc1[N+](=O)[O-] ZINC000075556397 398810361 /nfs/dbraw/zinc/81/03/61/398810361.db2.gz TVABBKNWLDHLKK-GFCCVEGCSA-N 1 2 314.345 2.646 20 5 DFBDLO COc1cccc([N+](=O)[O-])c1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000594548877 398819102 /nfs/dbraw/zinc/81/91/02/398819102.db2.gz SVYSOZMNCPAZJJ-GFCCVEGCSA-N 1 2 302.334 2.641 20 5 DFBDLO CCCC[C@@H](C(=O)OC)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153073404 283351519 /nfs/dbraw/zinc/35/15/19/283351519.db2.gz OHITXVHWUZTSEP-HNNXBMFYSA-N 1 2 306.362 2.685 20 5 DFBDLO CCCC[C@@H](C(=O)OC)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153073404 283351523 /nfs/dbraw/zinc/35/15/23/283351523.db2.gz OHITXVHWUZTSEP-HNNXBMFYSA-N 1 2 306.362 2.685 20 5 DFBDLO O=[N+]([O-])c1ccc(NCc2cc[nH+]c(N3CCCCC3)c2)cn1 ZINC000076836263 398872368 /nfs/dbraw/zinc/87/23/68/398872368.db2.gz OPIGRGTZMJIPMN-UHFFFAOYSA-N 1 2 313.361 2.987 20 5 DFBDLO CCCCCNC(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153337828 283363711 /nfs/dbraw/zinc/36/37/11/283363711.db2.gz RRJDQIAVARRSNU-CYBMUJFWSA-N 1 2 319.405 2.648 20 5 DFBDLO CCCCCNC(=O)[C@@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153337828 283363713 /nfs/dbraw/zinc/36/37/13/283363713.db2.gz RRJDQIAVARRSNU-CYBMUJFWSA-N 1 2 319.405 2.648 20 5 DFBDLO CCC[C@@H]([NH2+][C@H](C)c1ncnn1C)c1cccc([N+](=O)[O-])c1 ZINC000276581310 212977299 /nfs/dbraw/zinc/97/72/99/212977299.db2.gz IDNUUNAMGRZDGQ-BXUZGUMPSA-N 1 2 303.366 2.915 20 5 DFBDLO COc1cccnc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595054302 398897862 /nfs/dbraw/zinc/89/78/62/398897862.db2.gz ZCHOTUCLMKKQDY-NSHDSACASA-N 1 2 317.345 2.858 20 5 DFBDLO Cc1c([C@H](C)[NH2+][C@H]2C[C@@H](C)n3ncnc32)cccc1[N+](=O)[O-] ZINC000595067301 398901357 /nfs/dbraw/zinc/90/13/57/398901357.db2.gz LPBQNKJTSPRGTG-CDMKHQONSA-N 1 2 301.350 2.851 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)c1nccn1C ZINC000595106792 398906309 /nfs/dbraw/zinc/90/63/09/398906309.db2.gz LHTXVUPWASABLP-MNOVXSKESA-N 1 2 304.350 2.749 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1nccnc1C ZINC000187960117 200182679 /nfs/dbraw/zinc/18/26/79/200182679.db2.gz FCBQJYUEMLQAGQ-NSHDSACASA-N 1 2 302.334 2.553 20 5 DFBDLO COC(=O)[C@H]1C[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599085974 398918919 /nfs/dbraw/zinc/91/89/19/398918919.db2.gz GLQYTWNRNPOILA-PHIMTYICSA-N 1 2 301.302 2.507 20 5 DFBDLO C[C@@H]1C[C@H](CO)CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599090506 398919310 /nfs/dbraw/zinc/91/93/10/398919310.db2.gz LSQSBDKNQHKGPT-NEPJUHHUSA-N 1 2 301.346 2.598 20 5 DFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC[C@](O)(C2CC2)C1 ZINC000599107872 398922102 /nfs/dbraw/zinc/92/21/02/398922102.db2.gz OJPVDSMPHVEGJX-QGZVFWFLSA-N 1 2 313.357 2.884 20 5 DFBDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000595388208 398930945 /nfs/dbraw/zinc/93/09/45/398930945.db2.gz HQAANEXNDZIMAO-FVQBIDKESA-N 1 2 324.352 2.502 20 5 DFBDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000595388208 398930946 /nfs/dbraw/zinc/93/09/46/398930946.db2.gz HQAANEXNDZIMAO-FVQBIDKESA-N 1 2 324.352 2.502 20 5 DFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCO[C@@H](CCF)C1 ZINC000599168214 398933101 /nfs/dbraw/zinc/93/31/01/398933101.db2.gz BTSIYTGDBRRWMG-LBPRGKRZSA-N 1 2 305.309 2.708 20 5 DFBDLO Cc1noc(C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000595438693 398938155 /nfs/dbraw/zinc/93/81/55/398938155.db2.gz RZYRSALZWLMZCO-GXFFZTMASA-N 1 2 302.334 2.869 20 5 DFBDLO Cc1noc(C[N@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000595438693 398938159 /nfs/dbraw/zinc/93/81/59/398938159.db2.gz RZYRSALZWLMZCO-GXFFZTMASA-N 1 2 302.334 2.869 20 5 DFBDLO CCCCOC[C@H](O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000193373525 201040257 /nfs/dbraw/zinc/04/02/57/201040257.db2.gz ODFPVUJWMQUXFP-OAHLLOKOSA-N 1 2 319.361 2.636 20 5 DFBDLO Cc1cnc(NCCCCNc2cccc[nH+]2)c([N+](=O)[O-])c1 ZINC000078657987 398976346 /nfs/dbraw/zinc/97/63/46/398976346.db2.gz GNYRDJLRBMXQFV-UHFFFAOYSA-N 1 2 301.350 2.997 20 5 DFBDLO CCn1c[nH+]cc1CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000417714058 296043472 /nfs/dbraw/zinc/04/34/72/296043472.db2.gz GUSRLCCLJXKWEA-UHFFFAOYSA-N 1 2 300.362 2.976 20 5 DFBDLO CC[C@H](C)[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(=O)OC ZINC000475136147 299344338 /nfs/dbraw/zinc/34/43/38/299344338.db2.gz HBSSWVRNRCVTFM-SYFYSMEQSA-N 1 2 306.362 2.785 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1cscn1 ZINC000595668919 399026626 /nfs/dbraw/zinc/02/66/26/399026626.db2.gz RMLYLGAEROGSOG-SNVBAGLBSA-N 1 2 320.374 2.649 20 5 DFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)c1 ZINC000599617622 399030788 /nfs/dbraw/zinc/03/07/88/399030788.db2.gz IWDJFSPBLAICDI-UHFFFAOYSA-N 1 2 310.357 2.821 20 5 DFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCc3nc(C4CC4)ncc3C2)c1 ZINC000599617622 399030791 /nfs/dbraw/zinc/03/07/91/399030791.db2.gz IWDJFSPBLAICDI-UHFFFAOYSA-N 1 2 310.357 2.821 20 5 DFBDLO CC(=O)Nc1nc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC000271780448 209207943 /nfs/dbraw/zinc/20/79/43/209207943.db2.gz RYSQCASJCRLVPK-VIFPVBQESA-N 1 2 320.374 2.861 20 5 DFBDLO C[NH+](C)[C@@H](c1nc(CCC(C)(C)[N+](=O)[O-])no1)c1ccccc1 ZINC000291040131 283998980 /nfs/dbraw/zinc/99/89/80/283998980.db2.gz GJGCMUVDVAXYKB-CQSZACIVSA-N 1 2 318.377 2.709 20 5 DFBDLO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618302196 399079955 /nfs/dbraw/zinc/07/99/55/399079955.db2.gz AQGHFMAAIQQUOI-MRVPVSSYSA-N 1 2 315.333 2.927 20 5 DFBDLO Cn1ccnc1[C@H]([NH2+][C@@H]1CCC[C@H]1F)c1cccc([N+](=O)[O-])c1 ZINC000340524023 284188599 /nfs/dbraw/zinc/18/85/99/284188599.db2.gz AXOGZHSAUYITIS-RBSFLKMASA-N 1 2 318.352 2.898 20 5 DFBDLO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@](C)(C(F)F)O1 ZINC000595913368 399132937 /nfs/dbraw/zinc/13/29/37/399132937.db2.gz DAMYNPGYUDGFPO-HZMBPMFUSA-N 1 2 300.305 2.839 20 5 DFBDLO C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@](C)(C(F)F)O1 ZINC000595913368 399132942 /nfs/dbraw/zinc/13/29/42/399132942.db2.gz DAMYNPGYUDGFPO-HZMBPMFUSA-N 1 2 300.305 2.839 20 5 DFBDLO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@](C)(C(F)F)O1 ZINC000595913371 399133820 /nfs/dbraw/zinc/13/38/20/399133820.db2.gz DAMYNPGYUDGFPO-QMTHXVAHSA-N 1 2 300.305 2.839 20 5 DFBDLO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@](C)(C(F)F)O1 ZINC000595913371 399133823 /nfs/dbraw/zinc/13/38/23/399133823.db2.gz DAMYNPGYUDGFPO-QMTHXVAHSA-N 1 2 300.305 2.839 20 5 DFBDLO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000595921209 399138395 /nfs/dbraw/zinc/13/83/95/399138395.db2.gz JTGXYFDVFFMCLM-YGRLFVJLSA-N 1 2 300.305 2.839 20 5 DFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000595921209 399138397 /nfs/dbraw/zinc/13/83/97/399138397.db2.gz JTGXYFDVFFMCLM-YGRLFVJLSA-N 1 2 300.305 2.839 20 5 DFBDLO C[N@@H+]1CCC(=O)C[C@H]1c1ccc(-c2ccc([N+](=O)[O-])nc2)cc1 ZINC000600787969 399145609 /nfs/dbraw/zinc/14/56/09/399145609.db2.gz AUPHVUUCHNCIRO-INIZCTEOSA-N 1 2 311.341 2.993 20 5 DFBDLO C[N@H+]1CCC(=O)C[C@H]1c1ccc(-c2ccc([N+](=O)[O-])nc2)cc1 ZINC000600787969 399145613 /nfs/dbraw/zinc/14/56/13/399145613.db2.gz AUPHVUUCHNCIRO-INIZCTEOSA-N 1 2 311.341 2.993 20 5 DFBDLO COc1ccc(N[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)[nH+]c1 ZINC000618574326 399164875 /nfs/dbraw/zinc/16/48/75/399164875.db2.gz XJGKDOFWFXGROE-CHWSQXEVSA-N 1 2 317.349 2.791 20 5 DFBDLO CC(C)C[C@@H]1C[C@@H]([NH+]=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCO1 ZINC000618585877 399170747 /nfs/dbraw/zinc/17/07/47/399170747.db2.gz PTYHEINLLSLIQA-WCQYABFASA-N 1 2 318.377 2.899 20 5 DFBDLO Cc1cc(NCC2(CO)CC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000080687039 399170806 /nfs/dbraw/zinc/17/08/06/399170806.db2.gz GJWBNVZPGYFIEU-UHFFFAOYSA-N 1 2 314.345 2.545 20 5 DFBDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282550232 217081287 /nfs/dbraw/zinc/08/12/87/217081287.db2.gz SKHKPVAAXQQNKS-XUJVJEKNSA-N 1 2 322.336 2.507 20 5 DFBDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282550232 217081288 /nfs/dbraw/zinc/08/12/88/217081288.db2.gz SKHKPVAAXQQNKS-XUJVJEKNSA-N 1 2 322.336 2.507 20 5 DFBDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282550235 217082293 /nfs/dbraw/zinc/08/22/93/217082293.db2.gz SKHKPVAAXQQNKS-ZOWXZIJZSA-N 1 2 322.336 2.507 20 5 DFBDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282550235 217082296 /nfs/dbraw/zinc/08/22/96/217082296.db2.gz SKHKPVAAXQQNKS-ZOWXZIJZSA-N 1 2 322.336 2.507 20 5 DFBDLO Cc1nc2[nH]ccc2c(NCCNc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000080955400 399194750 /nfs/dbraw/zinc/19/47/50/399194750.db2.gz IQIVOSIUNWQWLF-UHFFFAOYSA-N 1 2 312.333 2.699 20 5 DFBDLO Cc1cnc(C[N@@H+](C)[C@H]2CCN(c3ccsc3[N+](=O)[O-])C2)o1 ZINC000601131391 399236612 /nfs/dbraw/zinc/23/66/12/399236612.db2.gz JNYIYBNVBNBPSN-NSHDSACASA-N 1 2 322.390 2.663 20 5 DFBDLO Cc1cnc(C[N@H+](C)[C@H]2CCN(c3ccsc3[N+](=O)[O-])C2)o1 ZINC000601131391 399236615 /nfs/dbraw/zinc/23/66/15/399236615.db2.gz JNYIYBNVBNBPSN-NSHDSACASA-N 1 2 322.390 2.663 20 5 DFBDLO CC[C@@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H](CC)O1 ZINC000420954929 296217350 /nfs/dbraw/zinc/21/73/50/296217350.db2.gz KSRAYVCLPJGQQB-HUUCEWRRSA-N 1 2 308.378 2.993 20 5 DFBDLO CC[N@H+](CCOc1ccccc1C)Cc1c([N+](=O)[O-])ncn1C ZINC000420968887 296219513 /nfs/dbraw/zinc/21/95/13/296219513.db2.gz AMJVODXPSRYKMZ-UHFFFAOYSA-N 1 2 318.377 2.538 20 5 DFBDLO CC[N@@H+](CCOc1ccccc1C)Cc1c([N+](=O)[O-])ncn1C ZINC000420968887 296219514 /nfs/dbraw/zinc/21/95/14/296219514.db2.gz AMJVODXPSRYKMZ-UHFFFAOYSA-N 1 2 318.377 2.538 20 5 DFBDLO Cn1cc(CC2CN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])C2)cn1 ZINC000601198906 399253453 /nfs/dbraw/zinc/25/34/53/399253453.db2.gz JPPFEYRRGXGBOI-UHFFFAOYSA-N 1 2 323.356 2.555 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000267950630 206357177 /nfs/dbraw/zinc/35/71/77/206357177.db2.gz JFJAGRMZUPLRIG-LLVKDONJSA-N 1 2 317.349 2.618 20 5 DFBDLO COc1cc(C[NH2+]Cc2ccc(Cl)o2)c([N+](=O)[O-])cc1O ZINC000608781860 399295343 /nfs/dbraw/zinc/29/53/43/399295343.db2.gz RFUPRWRKTZURDH-UHFFFAOYSA-N 1 2 312.709 2.845 20 5 DFBDLO COc1cccc(C(=O)NCc2cc(C)[nH+]c(C)c2)c1[N+](=O)[O-] ZINC000421575042 296267142 /nfs/dbraw/zinc/26/71/42/296267142.db2.gz INVDPMAKFORRMF-UHFFFAOYSA-N 1 2 315.329 2.545 20 5 DFBDLO Cc1cccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000609131156 399304759 /nfs/dbraw/zinc/30/47/59/399304759.db2.gz IYXAWZUYQXTOOF-CYBMUJFWSA-N 1 2 314.345 2.577 20 5 DFBDLO C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)CCCn1cc[nH+]c1 ZINC000609140768 399305787 /nfs/dbraw/zinc/30/57/87/399305787.db2.gz XCEVMPAPUFZLDH-LBPRGKRZSA-N 1 2 314.345 2.549 20 5 DFBDLO COc1c(C(=O)Nc2ccc3[nH+]ccn3c2)cccc1[N+](=O)[O-] ZINC000619435996 399345611 /nfs/dbraw/zinc/34/56/11/399345611.db2.gz ANVIHOAWJRXGPS-UHFFFAOYSA-N 1 2 312.285 2.503 20 5 DFBDLO Cc1cnc(N2CCCC[C@@H]2c2c[nH+]cn2C)c([N+](=O)[O-])c1 ZINC000610284225 399353850 /nfs/dbraw/zinc/35/38/50/399353850.db2.gz SBZPFALZGLQRHM-GFCCVEGCSA-N 1 2 301.350 2.763 20 5 DFBDLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000285086930 218285512 /nfs/dbraw/zinc/28/55/12/218285512.db2.gz JUMRHAYUVDXNKD-HTQZYQBOSA-N 1 2 307.379 2.749 20 5 DFBDLO Cc1cn2c([nH+]1)[C@@H](CNc1ncc(C)cc1[N+](=O)[O-])CCC2 ZINC000611030546 399429625 /nfs/dbraw/zinc/42/96/25/399429625.db2.gz NGNSBSPQDMFSNJ-GFCCVEGCSA-N 1 2 301.350 2.793 20 5 DFBDLO CC[C@@]1(C)COCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611178783 399442171 /nfs/dbraw/zinc/44/21/71/399442171.db2.gz NDRGYGOUJDCTMQ-HNNXBMFYSA-N 1 2 305.334 2.737 20 5 DFBDLO CC[C@@]1(C)COCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611178783 399442172 /nfs/dbraw/zinc/44/21/72/399442172.db2.gz NDRGYGOUJDCTMQ-HNNXBMFYSA-N 1 2 305.334 2.737 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCOc2ccccc2C1 ZINC000611262808 399453586 /nfs/dbraw/zinc/45/35/86/399453586.db2.gz CNRUNUUPVPHMGP-UHFFFAOYSA-N 1 2 300.314 2.695 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCOc2ccccc2C1 ZINC000611262808 399453587 /nfs/dbraw/zinc/45/35/87/399453587.db2.gz CNRUNUUPVPHMGP-UHFFFAOYSA-N 1 2 300.314 2.695 20 5 DFBDLO Cc1cc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)sn1 ZINC000602451207 399447555 /nfs/dbraw/zinc/44/75/55/399447555.db2.gz DPYGTJPJGLLLIU-UHFFFAOYSA-N 1 2 318.402 2.682 20 5 DFBDLO C[N@H+](Cc1ccco1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611252486 399451686 /nfs/dbraw/zinc/45/16/86/399451686.db2.gz RYIZAENNYJVVFD-UHFFFAOYSA-N 1 2 304.302 2.591 20 5 DFBDLO C[N@@H+](Cc1ccco1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611252486 399451687 /nfs/dbraw/zinc/45/16/87/399451687.db2.gz RYIZAENNYJVVFD-UHFFFAOYSA-N 1 2 304.302 2.591 20 5 DFBDLO CC(C)Oc1cccc(C[N@H+](C)Cc2cn(C)nc2[N+](=O)[O-])c1 ZINC000602485871 399459103 /nfs/dbraw/zinc/45/91/03/399459103.db2.gz TWYNPBOCPMETDI-UHFFFAOYSA-N 1 2 318.377 2.748 20 5 DFBDLO CC(C)Oc1cccc(C[N@@H+](C)Cc2cn(C)nc2[N+](=O)[O-])c1 ZINC000602485871 399459107 /nfs/dbraw/zinc/45/91/07/399459107.db2.gz TWYNPBOCPMETDI-UHFFFAOYSA-N 1 2 318.377 2.748 20 5 DFBDLO CC[C@@H](C)N(OC)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000269105620 207245643 /nfs/dbraw/zinc/24/56/43/207245643.db2.gz AWHZYHNNXDXDJE-LLVKDONJSA-N 1 2 318.333 2.583 20 5 DFBDLO Cc1cnc(C[N@@H+](C)[C@@H]2CCN(c3sccc3[N+](=O)[O-])C2)o1 ZINC000611413551 399473115 /nfs/dbraw/zinc/47/31/15/399473115.db2.gz CDRKZQKAFABOBF-LLVKDONJSA-N 1 2 322.390 2.663 20 5 DFBDLO Cc1cnc(C[N@H+](C)[C@@H]2CCN(c3sccc3[N+](=O)[O-])C2)o1 ZINC000611413551 399473119 /nfs/dbraw/zinc/47/31/19/399473119.db2.gz CDRKZQKAFABOBF-LLVKDONJSA-N 1 2 322.390 2.663 20 5 DFBDLO C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1F ZINC000611501719 399483334 /nfs/dbraw/zinc/48/33/34/399483334.db2.gz HMSLTNBXKQNWEU-MFKMUULPSA-N 1 2 320.324 2.825 20 5 DFBDLO C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1F ZINC000611501719 399483335 /nfs/dbraw/zinc/48/33/35/399483335.db2.gz HMSLTNBXKQNWEU-MFKMUULPSA-N 1 2 320.324 2.825 20 5 DFBDLO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)c([N+](=O)[O-])cc1OC ZINC000611521359 399487185 /nfs/dbraw/zinc/48/71/85/399487185.db2.gz ALKUMXQUAUEFTJ-PWSUYJOCSA-N 1 2 312.341 2.792 20 5 DFBDLO COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)c([N+](=O)[O-])cc1OC ZINC000611521359 399487189 /nfs/dbraw/zinc/48/71/89/399487189.db2.gz ALKUMXQUAUEFTJ-PWSUYJOCSA-N 1 2 312.341 2.792 20 5 DFBDLO C/C=C\C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)OCC ZINC000602636678 399498548 /nfs/dbraw/zinc/49/85/48/399498548.db2.gz YKACAEPQUHNOBZ-UYWPIULCSA-N 1 2 306.362 2.625 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000611615897 399499104 /nfs/dbraw/zinc/49/91/04/399499104.db2.gz GELLRWCKVAYAEZ-CYBMUJFWSA-N 1 2 301.350 2.645 20 5 DFBDLO CCn1cc[nH+]c1[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602683761 399519362 /nfs/dbraw/zinc/51/93/62/399519362.db2.gz SDAPQWGOSPDWBP-JTQLQIEISA-N 1 2 315.333 2.803 20 5 DFBDLO CC(C)NC(=O)C[N@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000120266400 195131322 /nfs/dbraw/zinc/13/13/22/195131322.db2.gz JVQVIFTUBQYLBQ-UHFFFAOYSA-N 1 2 307.394 2.675 20 5 DFBDLO CC(C)NC(=O)C[N@@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000120266400 195131325 /nfs/dbraw/zinc/13/13/25/195131325.db2.gz JVQVIFTUBQYLBQ-UHFFFAOYSA-N 1 2 307.394 2.675 20 5 DFBDLO CCC[C@H]([NH2+]Cc1nncn1CC)c1cccc([N+](=O)[O-])c1 ZINC000158427793 197271661 /nfs/dbraw/zinc/27/16/61/197271661.db2.gz CBERJRUGSOWKOH-AWEZNQCLSA-N 1 2 303.366 2.837 20 5 DFBDLO C[C@@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000602779363 399568013 /nfs/dbraw/zinc/56/80/13/399568013.db2.gz DHKGRZVXGPBPKJ-YPMHNXCESA-N 1 2 304.350 2.895 20 5 DFBDLO C[C@@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000602779363 399568018 /nfs/dbraw/zinc/56/80/18/399568018.db2.gz DHKGRZVXGPBPKJ-YPMHNXCESA-N 1 2 304.350 2.895 20 5 DFBDLO CCc1ccc(C(=O)N[C@@H](CC)c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000347956106 285268241 /nfs/dbraw/zinc/26/82/41/285268241.db2.gz LEMXANQAKCCUNJ-LBPRGKRZSA-N 1 2 302.334 2.761 20 5 DFBDLO CC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1[nH]cc[nH+]1 ZINC000347976306 285278841 /nfs/dbraw/zinc/27/88/41/285278841.db2.gz VVRPZBMILQDVNO-LBPRGKRZSA-N 1 2 322.752 2.781 20 5 DFBDLO CC(C)C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000120779588 195235763 /nfs/dbraw/zinc/23/57/63/195235763.db2.gz VJPVUUALQBUUIW-GFCCVEGCSA-N 1 2 316.361 2.945 20 5 DFBDLO COc1cc(C[N@@H+]2CCC[C@H]2c2ncccn2)ccc1[N+](=O)[O-] ZINC000602899243 399620239 /nfs/dbraw/zinc/62/02/39/399620239.db2.gz ORUXZXGWLHEWRM-AWEZNQCLSA-N 1 2 314.345 2.731 20 5 DFBDLO COc1cc(C[N@H+]2CCC[C@H]2c2ncccn2)ccc1[N+](=O)[O-] ZINC000602899243 399620242 /nfs/dbraw/zinc/62/02/42/399620242.db2.gz ORUXZXGWLHEWRM-AWEZNQCLSA-N 1 2 314.345 2.731 20 5 DFBDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000492493925 299599885 /nfs/dbraw/zinc/59/98/85/299599885.db2.gz PHGFBASVKHMLIE-SREVYHEPSA-N 1 2 300.318 2.772 20 5 DFBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H](CO)C1 ZINC000289894518 221296913 /nfs/dbraw/zinc/29/69/13/221296913.db2.gz MQPRLJZGPJCSSC-MRVPVSSYSA-N 1 2 305.161 2.716 20 5 DFBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@H](CO)C1 ZINC000289894518 221296916 /nfs/dbraw/zinc/29/69/16/221296916.db2.gz MQPRLJZGPJCSSC-MRVPVSSYSA-N 1 2 305.161 2.716 20 5 DFBDLO C[C@@H](Nc1ncc([N+](=O)[O-])cn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000302112938 533565376 /nfs/dbraw/zinc/56/53/76/533565376.db2.gz QGTSFWGWSGBUDW-LLVKDONJSA-N 1 2 310.317 2.744 20 5 DFBDLO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)C(F)F ZINC000603428351 399774456 /nfs/dbraw/zinc/77/44/56/399774456.db2.gz IOBNFOIWISGMNZ-IUCAKERBSA-N 1 2 301.293 2.555 20 5 DFBDLO COc1cc[nH+]cc1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000348320092 285491502 /nfs/dbraw/zinc/49/15/02/285491502.db2.gz LSXQKLVXPDJXOK-UHFFFAOYSA-N 1 2 321.720 2.582 20 5 DFBDLO CCC(CC)C(=O)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000603554968 399789287 /nfs/dbraw/zinc/78/92/87/399789287.db2.gz CGOSYXRTQSTAJQ-UHFFFAOYSA-N 1 2 319.405 2.675 20 5 DFBDLO O=[N+]([O-])c1ccc(NCc2ccc[nH+]c2N2CCOCC2)s1 ZINC000603938511 399818652 /nfs/dbraw/zinc/81/86/52/399818652.db2.gz OUBIONHMHGQQBW-UHFFFAOYSA-N 1 2 320.374 2.500 20 5 DFBDLO O=[N+]([O-])c1cccnc1N1CCC[C@@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000275523264 296517114 /nfs/dbraw/zinc/51/71/14/296517114.db2.gz FCTDUYKSFSEHGA-CYBMUJFWSA-N 1 2 313.361 2.933 20 5 DFBDLO CCn1c[nH+]cc1[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cn1 ZINC000604556332 399855019 /nfs/dbraw/zinc/85/50/19/399855019.db2.gz OSXUZZWGNYSJRV-ZDUSSCGKSA-N 1 2 301.350 2.938 20 5 DFBDLO CCOC(=O)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C(C)C ZINC000255843686 146235482 /nfs/dbraw/zinc/23/54/82/146235482.db2.gz KJUUVCYUSVDBDN-CLFYSBASSA-N 1 2 306.362 2.882 20 5 DFBDLO CCOC(=O)C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C(C)C ZINC000255843686 146235485 /nfs/dbraw/zinc/23/54/85/146235485.db2.gz KJUUVCYUSVDBDN-CLFYSBASSA-N 1 2 306.362 2.882 20 5 DFBDLO O=[N+]([O-])c1ccc(NCCCn2cc[nH+]c2)c(OC(F)F)c1 ZINC000354524822 147067452 /nfs/dbraw/zinc/06/74/52/147067452.db2.gz CRHZHQBUYSDSKC-UHFFFAOYSA-N 1 2 312.276 2.895 20 5 DFBDLO O=c1[nH]ccc2c1C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CC2 ZINC000494155662 543415285 /nfs/dbraw/zinc/41/52/85/543415285.db2.gz XSIOEVODZYQZRW-UHFFFAOYSA-N 1 2 319.748 2.907 20 5 DFBDLO O=c1[nH]ccc2c1C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CC2 ZINC000494155662 543415289 /nfs/dbraw/zinc/41/52/89/543415289.db2.gz XSIOEVODZYQZRW-UHFFFAOYSA-N 1 2 319.748 2.907 20 5 DFBDLO O=C(/C=C/c1[nH]cc[nH+]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000493069924 299709718 /nfs/dbraw/zinc/70/97/18/299709718.db2.gz JVSMUBIMUMAPJD-BQYQJAHWSA-N 1 2 312.329 2.522 20 5 DFBDLO O=C(/C=C\c1[nH]cc[nH+]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000493069925 299709797 /nfs/dbraw/zinc/70/97/97/299709797.db2.gz JVSMUBIMUMAPJD-FPLPWBNLSA-N 1 2 312.329 2.522 20 5 DFBDLO CCc1nn(C)c(Oc2cccc(-n3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000360995512 149002147 /nfs/dbraw/zinc/00/21/47/149002147.db2.gz ODDQVLAJADYAMA-UHFFFAOYSA-N 1 2 313.317 2.869 20 5 DFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](COCC2CC2)C1 ZINC000362590051 149317558 /nfs/dbraw/zinc/31/75/58/149317558.db2.gz IPHOXVWABXBFDH-GUYCJALGSA-N 1 2 320.389 2.783 20 5 DFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](COCC2CC2)C1 ZINC000362590051 149317562 /nfs/dbraw/zinc/31/75/62/149317562.db2.gz IPHOXVWABXBFDH-GUYCJALGSA-N 1 2 320.389 2.783 20 5 DFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000362608050 149322828 /nfs/dbraw/zinc/32/28/28/149322828.db2.gz XOBBAGDNKRJMLR-UKRRQHHQSA-N 1 2 320.389 2.783 20 5 DFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000362608050 149322831 /nfs/dbraw/zinc/32/28/31/149322831.db2.gz XOBBAGDNKRJMLR-UKRRQHHQSA-N 1 2 320.389 2.783 20 5 DFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000362608048 149322900 /nfs/dbraw/zinc/32/29/00/149322900.db2.gz XOBBAGDNKRJMLR-DZGCQCFKSA-N 1 2 320.389 2.783 20 5 DFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000362608048 149322905 /nfs/dbraw/zinc/32/29/05/149322905.db2.gz XOBBAGDNKRJMLR-DZGCQCFKSA-N 1 2 320.389 2.783 20 5 DFBDLO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000363216120 149444508 /nfs/dbraw/zinc/44/45/08/149444508.db2.gz ANXRTPKCKMKSIA-JTQLQIEISA-N 1 2 321.406 2.825 20 5 DFBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CCCOCC3)cs2)c1 ZINC000372433410 150172966 /nfs/dbraw/zinc/17/29/66/150172966.db2.gz HRAIXPGEOFGSOZ-UHFFFAOYSA-N 1 2 319.386 2.941 20 5 DFBDLO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCCOCC3)cs2)c1 ZINC000372433410 150172968 /nfs/dbraw/zinc/17/29/68/150172968.db2.gz HRAIXPGEOFGSOZ-UHFFFAOYSA-N 1 2 319.386 2.941 20 5 DFBDLO CCOc1cc(CN2CCn3cc(C)[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000372809613 150187239 /nfs/dbraw/zinc/18/72/39/150187239.db2.gz ZHPXGBKPOSCJKK-UHFFFAOYSA-N 1 2 316.361 2.514 20 5 DFBDLO CCCn1c(C)nnc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429236992 296737561 /nfs/dbraw/zinc/73/75/61/296737561.db2.gz NRUTXLIUDNVGRN-UHFFFAOYSA-N 1 2 317.393 2.930 20 5 DFBDLO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H](CO)c3ccccc3)nc2c1 ZINC000183630841 158023132 /nfs/dbraw/zinc/02/31/32/158023132.db2.gz AKKCRLKLVOLVLP-AWEZNQCLSA-N 1 2 313.313 2.559 20 5 DFBDLO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H](CO)c3ccccc3)nc2c1 ZINC000183630825 158023377 /nfs/dbraw/zinc/02/33/77/158023377.db2.gz AKKCRLKLVOLVLP-CQSZACIVSA-N 1 2 313.313 2.559 20 5 DFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1cccc2[nH+]ccn21 ZINC000358389649 158375494 /nfs/dbraw/zinc/37/54/94/158375494.db2.gz GMSUVADRGFZIEQ-UHFFFAOYSA-N 1 2 314.276 2.563 20 5 DFBDLO COC(=O)C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)C1CCCC1 ZINC000134207397 196370749 /nfs/dbraw/zinc/37/07/49/196370749.db2.gz ZDLQMDOXMUPRTR-UHFFFAOYSA-N 1 2 322.361 2.521 20 5 DFBDLO COC(=O)C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C1CCCC1 ZINC000134207397 196370750 /nfs/dbraw/zinc/37/07/50/196370750.db2.gz ZDLQMDOXMUPRTR-UHFFFAOYSA-N 1 2 322.361 2.521 20 5 DFBDLO CCOC(=O)[C@@H](C)[N@H+](Cc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000191708033 268011784 /nfs/dbraw/zinc/01/17/84/268011784.db2.gz WDJRJMCLRCBNAX-GFCCVEGCSA-N 1 2 306.362 2.819 20 5 DFBDLO CCOC(=O)[C@@H](C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000191708033 268011785 /nfs/dbraw/zinc/01/17/85/268011785.db2.gz WDJRJMCLRCBNAX-GFCCVEGCSA-N 1 2 306.362 2.819 20 5 DFBDLO C[N@H+](Cc1ccco1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000047406628 425869593 /nfs/dbraw/zinc/86/95/93/425869593.db2.gz FFOAXHKIGNPAAS-UHFFFAOYSA-N 1 2 314.301 2.870 20 5 DFBDLO C[N@@H+](Cc1ccco1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000047406628 425869594 /nfs/dbraw/zinc/86/95/94/425869594.db2.gz FFOAXHKIGNPAAS-UHFFFAOYSA-N 1 2 314.301 2.870 20 5 DFBDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000245444547 268164174 /nfs/dbraw/zinc/16/41/74/268164174.db2.gz JSPYLAKMLVESPP-VXGBXAGGSA-N 1 2 323.418 2.749 20 5 DFBDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000245444547 268164175 /nfs/dbraw/zinc/16/41/75/268164175.db2.gz JSPYLAKMLVESPP-VXGBXAGGSA-N 1 2 323.418 2.749 20 5 DFBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000126835969 426038611 /nfs/dbraw/zinc/03/86/11/426038611.db2.gz SGXUIHOYPFDKAP-QGZVFWFLSA-N 1 2 314.341 2.874 20 5 DFBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000126835969 426038613 /nfs/dbraw/zinc/03/86/13/426038613.db2.gz SGXUIHOYPFDKAP-QGZVFWFLSA-N 1 2 314.341 2.874 20 5 DFBDLO CCOC(=O)CC[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000111335764 426047285 /nfs/dbraw/zinc/04/72/85/426047285.db2.gz OSNTZDHEITXPMC-UHFFFAOYSA-N 1 2 300.742 2.633 20 5 DFBDLO CCOC(=O)CC[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000111335764 426047288 /nfs/dbraw/zinc/04/72/88/426047288.db2.gz OSNTZDHEITXPMC-UHFFFAOYSA-N 1 2 300.742 2.633 20 5 DFBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCN1CC(F)(F)F ZINC000127965147 426095487 /nfs/dbraw/zinc/09/54/87/426095487.db2.gz CHHBLRSBDGKWAL-LLVKDONJSA-N 1 2 317.311 2.663 20 5 DFBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCN1CC(F)(F)F ZINC000127965147 426095488 /nfs/dbraw/zinc/09/54/88/426095488.db2.gz CHHBLRSBDGKWAL-LLVKDONJSA-N 1 2 317.311 2.663 20 5 DFBDLO Cc1cc(NC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc[nH+]1 ZINC000119192042 426269344 /nfs/dbraw/zinc/26/93/44/426269344.db2.gz UVOIQBHTGQCKFN-UHFFFAOYSA-N 1 2 312.329 2.888 20 5 DFBDLO CN(Cc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000339674751 268862197 /nfs/dbraw/zinc/86/21/97/268862197.db2.gz AOAJEZKENKHMPV-UHFFFAOYSA-N 1 2 300.240 2.973 20 5 DFBDLO CCC[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605387 426277556 /nfs/dbraw/zinc/27/75/56/426277556.db2.gz HBKHVZQVBRHAIP-CHWSQXEVSA-N 1 2 319.405 2.646 20 5 DFBDLO CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605387 426277557 /nfs/dbraw/zinc/27/75/57/426277557.db2.gz HBKHVZQVBRHAIP-CHWSQXEVSA-N 1 2 319.405 2.646 20 5 DFBDLO Cc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000119344224 426280278 /nfs/dbraw/zinc/28/02/78/426280278.db2.gz FNMWDXDPNUAXQI-UHFFFAOYSA-N 1 2 301.302 2.624 20 5 DFBDLO COc1ccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1O ZINC000093443712 426355915 /nfs/dbraw/zinc/35/59/15/426355915.db2.gz KJIKKPIPALFSOV-UHFFFAOYSA-N 1 2 314.341 2.867 20 5 DFBDLO COc1ccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1O ZINC000093443712 426355916 /nfs/dbraw/zinc/35/59/16/426355916.db2.gz KJIKKPIPALFSOV-UHFFFAOYSA-N 1 2 314.341 2.867 20 5 DFBDLO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1c(F)cccc1F ZINC000176225038 426362422 /nfs/dbraw/zinc/36/24/22/426362422.db2.gz DVSDYRSWDRIKMB-UHFFFAOYSA-N 1 2 310.304 2.592 20 5 DFBDLO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1c(F)cccc1F ZINC000176225038 426362425 /nfs/dbraw/zinc/36/24/25/426362425.db2.gz DVSDYRSWDRIKMB-UHFFFAOYSA-N 1 2 310.304 2.592 20 5 DFBDLO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000124389298 426482283 /nfs/dbraw/zinc/48/22/83/426482283.db2.gz LEFWIYNXWVHEQL-DOMZBBRYSA-N 1 2 314.345 2.515 20 5 DFBDLO CC(=O)c1cc([N+](=O)[O-])ccc1NCc1cn2c([nH+]1)CCCC2 ZINC000288086200 426505572 /nfs/dbraw/zinc/50/55/72/426505572.db2.gz WDTJJOPITBEFIA-UHFFFAOYSA-N 1 2 314.345 2.942 20 5 DFBDLO C[C@H](N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)C(F)(F)F ZINC000178245442 426592885 /nfs/dbraw/zinc/59/28/85/426592885.db2.gz CVLQIIOQRUSTQT-NSHDSACASA-N 1 2 317.311 2.663 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)ccc1Cl ZINC000178014535 426555881 /nfs/dbraw/zinc/55/58/81/426555881.db2.gz NDXKZCPNDCTWFI-GFCCVEGCSA-N 1 2 321.768 2.677 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](n3cncn3)C2)ccc1Cl ZINC000178014535 426555885 /nfs/dbraw/zinc/55/58/85/426555885.db2.gz NDXKZCPNDCTWFI-GFCCVEGCSA-N 1 2 321.768 2.677 20 5 DFBDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000178505781 426642734 /nfs/dbraw/zinc/64/27/34/426642734.db2.gz ROXGIWQEDIQGLN-HNNXBMFYSA-N 1 2 318.352 2.977 20 5 DFBDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000178505781 426642739 /nfs/dbraw/zinc/64/27/39/426642739.db2.gz ROXGIWQEDIQGLN-HNNXBMFYSA-N 1 2 318.352 2.977 20 5 DFBDLO Cc1occc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000178724806 426682702 /nfs/dbraw/zinc/68/27/02/426682702.db2.gz SGUCYTIDFDNCAI-LLVKDONJSA-N 1 2 317.345 2.955 20 5 DFBDLO Cc1occc1C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000178724806 426682708 /nfs/dbraw/zinc/68/27/08/426682708.db2.gz SGUCYTIDFDNCAI-LLVKDONJSA-N 1 2 317.345 2.955 20 5 DFBDLO O=C(c1ccc2[nH+]ccn2c1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000179097397 426749886 /nfs/dbraw/zinc/74/98/86/426749886.db2.gz GEPZCQGKPDFMPF-UHFFFAOYSA-N 1 2 322.324 2.836 20 5 DFBDLO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267051043 426816118 /nfs/dbraw/zinc/81/61/18/426816118.db2.gz QSVDHCVBZNECFM-CYBMUJFWSA-N 1 2 323.368 2.615 20 5 DFBDLO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267051043 426816125 /nfs/dbraw/zinc/81/61/25/426816125.db2.gz QSVDHCVBZNECFM-CYBMUJFWSA-N 1 2 323.368 2.615 20 5 DFBDLO COc1cc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000268237049 426958283 /nfs/dbraw/zinc/95/82/83/426958283.db2.gz GTNQIEHRGVPKHV-SWLSCSKDSA-N 1 2 316.361 2.887 20 5 DFBDLO Cc1cc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ncc1[N+](=O)[O-] ZINC000268237143 426959690 /nfs/dbraw/zinc/95/96/90/426959690.db2.gz GVUHJNROBXWILK-RISCZKNCSA-N 1 2 301.350 2.582 20 5 DFBDLO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000268259239 426968064 /nfs/dbraw/zinc/96/80/64/426968064.db2.gz MECWOGVTZBBPIZ-SMDDNHRTSA-N 1 2 301.350 2.582 20 5 DFBDLO CCOC(=O)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H](C)CC ZINC000181647460 426969592 /nfs/dbraw/zinc/96/95/92/426969592.db2.gz SVMOYCPULXZLHZ-DOMZBBRYSA-N 1 2 308.378 2.705 20 5 DFBDLO COCCCOCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182412517 427071817 /nfs/dbraw/zinc/07/18/17/427071817.db2.gz UVYLFUJYZSIOBP-UHFFFAOYSA-N 1 2 316.785 2.733 20 5 DFBDLO COCCCOCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182412517 427071821 /nfs/dbraw/zinc/07/18/21/427071821.db2.gz UVYLFUJYZSIOBP-UHFFFAOYSA-N 1 2 316.785 2.733 20 5 DFBDLO COC(=O)c1ccoc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292141335 427106799 /nfs/dbraw/zinc/10/67/99/427106799.db2.gz MLLOOCPPLRWUFB-UHFFFAOYSA-N 1 2 318.329 2.999 20 5 DFBDLO COCc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)o1 ZINC000268805244 427122164 /nfs/dbraw/zinc/12/21/64/427122164.db2.gz RPENYXNFXMQMKH-UHFFFAOYSA-N 1 2 306.318 2.633 20 5 DFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1Cc2ccccc2C1 ZINC000155485250 271053683 /nfs/dbraw/zinc/05/36/83/271053683.db2.gz MXSHZKLZYSTYJR-GFCCVEGCSA-N 1 2 311.341 2.938 20 5 DFBDLO CCOC(=O)[C@H](C)[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000190820227 427185278 /nfs/dbraw/zinc/18/52/78/427185278.db2.gz KVBNMSFUOYETAL-NSHDSACASA-N 1 2 322.361 2.519 20 5 DFBDLO CCOC(=O)[C@H](C)[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000190820227 427185281 /nfs/dbraw/zinc/18/52/81/427185281.db2.gz KVBNMSFUOYETAL-NSHDSACASA-N 1 2 322.361 2.519 20 5 DFBDLO CCOC(=O)[C@@H](C)[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000190832432 427187082 /nfs/dbraw/zinc/18/70/82/427187082.db2.gz HKRCCILJFAPVJG-GFCCVEGCSA-N 1 2 306.362 2.553 20 5 DFBDLO CCOC(=O)[C@@H](C)[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000190832432 427187089 /nfs/dbraw/zinc/18/70/89/427187089.db2.gz HKRCCILJFAPVJG-GFCCVEGCSA-N 1 2 306.362 2.553 20 5 DFBDLO COCc1noc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000183038365 427187873 /nfs/dbraw/zinc/18/78/73/427187873.db2.gz CJVBKCNFWYOJEC-NXEZZACHSA-N 1 2 306.322 2.536 20 5 DFBDLO COc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)nn1 ZINC000338276535 427229192 /nfs/dbraw/zinc/22/91/92/427229192.db2.gz RTPZRTJFNZWDGD-UHFFFAOYSA-N 1 2 314.345 2.558 20 5 DFBDLO COc1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)nn1 ZINC000338276535 427229200 /nfs/dbraw/zinc/22/92/00/427229200.db2.gz RTPZRTJFNZWDGD-UHFFFAOYSA-N 1 2 314.345 2.558 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000183253595 427231458 /nfs/dbraw/zinc/23/14/58/427231458.db2.gz ZHMSCJDMRFHSQY-UHFFFAOYSA-N 1 2 319.405 2.594 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000277544791 427237583 /nfs/dbraw/zinc/23/75/83/427237583.db2.gz SHGIMKAQENJISA-LKOHXCRBSA-N 1 2 310.419 2.665 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000277544791 427237587 /nfs/dbraw/zinc/23/75/87/427237587.db2.gz SHGIMKAQENJISA-LKOHXCRBSA-N 1 2 310.419 2.665 20 5 DFBDLO CN(Cc1[nH]cc[nH+]1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000338296018 427242031 /nfs/dbraw/zinc/24/20/31/427242031.db2.gz PZIPPXCTELWPLS-UHFFFAOYSA-N 1 2 300.240 2.973 20 5 DFBDLO C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000330461848 427244692 /nfs/dbraw/zinc/24/46/92/427244692.db2.gz SRLGRPPFQJCBHU-LLVKDONJSA-N 1 2 307.350 2.503 20 5 DFBDLO C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000330461848 427244702 /nfs/dbraw/zinc/24/47/02/427244702.db2.gz SRLGRPPFQJCBHU-LLVKDONJSA-N 1 2 307.350 2.503 20 5 DFBDLO CC1=CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000270359474 427332017 /nfs/dbraw/zinc/33/20/17/427332017.db2.gz RLAMCYHICDPINA-UHFFFAOYSA-N 1 2 300.318 2.797 20 5 DFBDLO CC1=CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000270359474 427332021 /nfs/dbraw/zinc/33/20/21/427332021.db2.gz RLAMCYHICDPINA-UHFFFAOYSA-N 1 2 300.318 2.797 20 5 DFBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2nccn2C)cc1[N+](=O)[O-] ZINC000271060804 427392187 /nfs/dbraw/zinc/39/21/87/427392187.db2.gz BXTMIFIPACSVKT-LLVKDONJSA-N 1 2 304.350 2.578 20 5 DFBDLO CC(C)(C)[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCO1 ZINC000331311433 427394059 /nfs/dbraw/zinc/39/40/59/427394059.db2.gz GWLZNUKRRWFWNO-AWEZNQCLSA-N 1 2 321.377 2.725 20 5 DFBDLO CC(C)(C)[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCO1 ZINC000331311433 427394066 /nfs/dbraw/zinc/39/40/66/427394066.db2.gz GWLZNUKRRWFWNO-AWEZNQCLSA-N 1 2 321.377 2.725 20 5 DFBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000331534313 427433856 /nfs/dbraw/zinc/43/38/56/427433856.db2.gz FDEZFDDHZLSFOD-ZDUSSCGKSA-N 1 2 317.349 2.507 20 5 DFBDLO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[nH]1 ZINC000271526408 427573372 /nfs/dbraw/zinc/57/33/72/427573372.db2.gz PANUGPVPLQYXJA-QWRGUYRKSA-N 1 2 303.366 2.996 20 5 DFBDLO COc1ccc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000279310540 427634994 /nfs/dbraw/zinc/63/49/94/427634994.db2.gz NAPVHGVUOURSMD-ZBEGNZNMSA-N 1 2 306.362 2.603 20 5 DFBDLO COc1ccc(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000279310540 427634999 /nfs/dbraw/zinc/63/49/99/427634999.db2.gz NAPVHGVUOURSMD-ZBEGNZNMSA-N 1 2 306.362 2.603 20 5 DFBDLO Cc1nnc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])n1C1CC1 ZINC000342289161 271982459 /nfs/dbraw/zinc/98/24/59/271982459.db2.gz BJHNJJVVAAVXKB-SNVBAGLBSA-N 1 2 301.350 2.680 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000339053386 427650248 /nfs/dbraw/zinc/65/02/48/427650248.db2.gz DLFHWELWTUHISE-IMJJTQAJSA-N 1 2 318.373 2.738 20 5 DFBDLO COc1c(C)c[nH+]c(CN(C)C(=O)CCC(C)(C)[N+](=O)[O-])c1C ZINC000294755588 427655089 /nfs/dbraw/zinc/65/50/89/427655089.db2.gz PPJVUEPVDPSTRG-UHFFFAOYSA-N 1 2 323.393 2.501 20 5 DFBDLO CCOc1cc(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000279378119 427655412 /nfs/dbraw/zinc/65/54/12/427655412.db2.gz SLNOFFNVNFJGIN-YVEFUNNKSA-N 1 2 320.389 2.993 20 5 DFBDLO CCOc1cc(C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000279378119 427655420 /nfs/dbraw/zinc/65/54/20/427655420.db2.gz SLNOFFNVNFJGIN-YVEFUNNKSA-N 1 2 320.389 2.993 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)CN(Cc1cccc3[nH+]ccn31)CC2 ZINC000342944863 272069824 /nfs/dbraw/zinc/06/98/24/272069824.db2.gz VARVEFFFXRBULG-UHFFFAOYSA-N 1 2 308.341 2.801 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cccc3nccn31)CC2 ZINC000342944863 272069826 /nfs/dbraw/zinc/06/98/26/272069826.db2.gz VARVEFFFXRBULG-UHFFFAOYSA-N 1 2 308.341 2.801 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cccc3nccn31)CC2 ZINC000342944863 272069829 /nfs/dbraw/zinc/06/98/29/272069829.db2.gz VARVEFFFXRBULG-UHFFFAOYSA-N 1 2 308.341 2.801 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H]1CCc2c1cccc2O ZINC000344279197 272303389 /nfs/dbraw/zinc/30/33/89/272303389.db2.gz ZMMDCUKERKMFEM-CQSZACIVSA-N 1 2 300.314 2.783 20 5 DFBDLO Cc1cc([N+](=O)[O-])cnc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000301180619 427781113 /nfs/dbraw/zinc/78/11/13/427781113.db2.gz HVWKKYNUAWRXBK-UHFFFAOYSA-N 1 2 313.361 2.774 20 5 DFBDLO COc1cc(NCc2cc[nH+]c(N(C)C)c2)c([N+](=O)[O-])cc1F ZINC000301610301 427808900 /nfs/dbraw/zinc/80/89/00/427808900.db2.gz CIIFABLDYKOWAF-UHFFFAOYSA-N 1 2 320.324 2.816 20 5 DFBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC=C(C)CC2)c([N+](=O)[O-])c1 ZINC000339660405 427809480 /nfs/dbraw/zinc/80/94/80/427809480.db2.gz GCJAERSMLPPJAX-GFCCVEGCSA-N 1 2 319.361 2.582 20 5 DFBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC=C(C)CC2)c([N+](=O)[O-])c1 ZINC000339660405 427809483 /nfs/dbraw/zinc/80/94/83/427809483.db2.gz GCJAERSMLPPJAX-GFCCVEGCSA-N 1 2 319.361 2.582 20 5 DFBDLO O=[N+]([O-])c1ccc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c(F)c1 ZINC000301627826 427811027 /nfs/dbraw/zinc/81/10/27/427811027.db2.gz HNJUAKFFOZKYEN-ZDUSSCGKSA-N 1 2 303.293 2.787 20 5 DFBDLO CC[C@@H](O)CCNc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301638226 427811859 /nfs/dbraw/zinc/81/18/59/427811859.db2.gz APHHIVWYNUOTAL-CQSZACIVSA-N 1 2 316.361 2.933 20 5 DFBDLO CN(Cc1[nH]cc[nH+]1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000345645878 427842590 /nfs/dbraw/zinc/84/25/90/427842590.db2.gz JMALVTACGSNBKJ-UHFFFAOYSA-N 1 2 311.139 2.717 20 5 DFBDLO O=[N+]([O-])c1ccc(F)cc1N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000302788820 427870426 /nfs/dbraw/zinc/87/04/26/427870426.db2.gz CYXYIGAFCIHDGE-ZDUSSCGKSA-N 1 2 303.293 2.787 20 5 DFBDLO CCCCN(CC)C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000337378562 427875178 /nfs/dbraw/zinc/87/51/78/427875178.db2.gz XDOBRIGUBBZOEX-UHFFFAOYSA-N 1 2 307.394 2.675 20 5 DFBDLO CCCCN(CC)C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000337378562 427875181 /nfs/dbraw/zinc/87/51/81/427875181.db2.gz XDOBRIGUBBZOEX-UHFFFAOYSA-N 1 2 307.394 2.675 20 5 DFBDLO Nc1[nH+]cnc(NCc2ccc([N+](=O)[O-])cc2Cl)c1Cl ZINC000302867843 427884222 /nfs/dbraw/zinc/88/42/22/427884222.db2.gz ZQZCIQIEVUCBCG-UHFFFAOYSA-N 1 2 314.132 2.886 20 5 DFBDLO Nc1nc[nH+]c(NCc2ccc([N+](=O)[O-])cc2Cl)c1Cl ZINC000302867843 427884226 /nfs/dbraw/zinc/88/42/26/427884226.db2.gz ZQZCIQIEVUCBCG-UHFFFAOYSA-N 1 2 314.132 2.886 20 5 DFBDLO CCOC(=O)CCN(C)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413198168 427988962 /nfs/dbraw/zinc/98/89/62/427988962.db2.gz PVGQNXWQLPKKSE-UHFFFAOYSA-N 1 2 303.318 2.532 20 5 DFBDLO O=[N+]([O-])c1ccc2ccnc(N[C@@H]3CCc4[nH]c[nH+]c4C3)c2c1 ZINC000413317791 428018301 /nfs/dbraw/zinc/01/83/01/428018301.db2.gz ZITWZUPYTDKCMH-LLVKDONJSA-N 1 2 309.329 2.836 20 5 DFBDLO O=[N+]([O-])c1ccc2ccnc(N[C@@H]3CCc4[nH+]c[nH]c4C3)c2c1 ZINC000413317791 428018308 /nfs/dbraw/zinc/01/83/08/428018308.db2.gz ZITWZUPYTDKCMH-LLVKDONJSA-N 1 2 309.329 2.836 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@H](CCCO)C3)c2c1 ZINC000413313239 428018998 /nfs/dbraw/zinc/01/89/98/428018998.db2.gz HJEJZBYVRYUPRV-LBPRGKRZSA-N 1 2 301.346 2.742 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@]2(CCOC2)O1 ZINC000370157555 428147461 /nfs/dbraw/zinc/14/74/61/428147461.db2.gz AQGVAHJQJJGPNM-CZUORRHYSA-N 1 2 324.352 2.504 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@]2(CCOC2)O1 ZINC000370157555 428147468 /nfs/dbraw/zinc/14/74/68/428147468.db2.gz AQGVAHJQJJGPNM-CZUORRHYSA-N 1 2 324.352 2.504 20 5 DFBDLO Cc1cccn2cc(CNC(=O)c3cccc([N+](=O)[O-])c3C)[nH+]c12 ZINC000346406119 428157335 /nfs/dbraw/zinc/15/73/35/428157335.db2.gz ZKGVLEUDNSUQCV-UHFFFAOYSA-N 1 2 324.340 2.789 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378410404 428389842 /nfs/dbraw/zinc/38/98/42/428389842.db2.gz PVEXOUUUECXMCJ-CYBMUJFWSA-N 1 2 300.318 2.604 20 5 DFBDLO O=[N+]([O-])c1cc(CNc2ccc(Cn3cc[nH+]c3)cn2)cs1 ZINC000353122836 428391316 /nfs/dbraw/zinc/39/13/16/428391316.db2.gz HCVBUTZHNJKPTD-UHFFFAOYSA-N 1 2 315.358 2.908 20 5 DFBDLO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378411915 428391278 /nfs/dbraw/zinc/39/12/78/428391278.db2.gz XNUYFWDJFAPIRE-NPQIQWPPSA-N 1 2 312.329 2.695 20 5 DFBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1 ZINC000372473602 428451573 /nfs/dbraw/zinc/45/15/73/428451573.db2.gz QFIIZRYKIZPLBQ-LLVKDONJSA-N 1 2 322.315 2.907 20 5 DFBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1 ZINC000372473602 428451579 /nfs/dbraw/zinc/45/15/79/428451579.db2.gz QFIIZRYKIZPLBQ-LLVKDONJSA-N 1 2 322.315 2.907 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CCC(F)(F)F ZINC000353392902 428518509 /nfs/dbraw/zinc/51/85/09/428518509.db2.gz HNKSXQWZQFSMHA-UHFFFAOYSA-N 1 2 319.283 2.726 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CCC(F)(F)F ZINC000353392902 428518517 /nfs/dbraw/zinc/51/85/17/428518517.db2.gz HNKSXQWZQFSMHA-UHFFFAOYSA-N 1 2 319.283 2.726 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H](COC(C)C)C1 ZINC000373489525 428591046 /nfs/dbraw/zinc/59/10/46/428591046.db2.gz LRFZOZYEDAUDJP-INIZCTEOSA-N 1 2 308.378 2.529 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H](COC(C)C)C1 ZINC000373489525 428591050 /nfs/dbraw/zinc/59/10/50/428591050.db2.gz LRFZOZYEDAUDJP-INIZCTEOSA-N 1 2 308.378 2.529 20 5 DFBDLO COc1cc(C(=O)Nc2cccc3[nH+]ccn32)ccc1[N+](=O)[O-] ZINC000358781767 428674651 /nfs/dbraw/zinc/67/46/51/428674651.db2.gz QAKSBMNWSNDXCQ-UHFFFAOYSA-N 1 2 312.285 2.503 20 5 DFBDLO CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCC1 ZINC000348321767 428707812 /nfs/dbraw/zinc/70/78/12/428707812.db2.gz NURYKWMHGCYJMV-UHFFFAOYSA-N 1 2 314.345 2.795 20 5 DFBDLO COc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000348249010 428677518 /nfs/dbraw/zinc/67/75/18/428677518.db2.gz XODBUQFPIIJOJI-BDJLRTHQSA-N 1 2 306.362 2.603 20 5 DFBDLO COc1cc(C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000348249010 428677519 /nfs/dbraw/zinc/67/75/19/428677519.db2.gz XODBUQFPIIJOJI-BDJLRTHQSA-N 1 2 306.362 2.603 20 5 DFBDLO COc1cc(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000348250154 428679438 /nfs/dbraw/zinc/67/94/38/428679438.db2.gz XODBUQFPIIJOJI-MEDUHNTESA-N 1 2 306.362 2.603 20 5 DFBDLO COc1cc(C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000348250154 428679440 /nfs/dbraw/zinc/67/94/40/428679440.db2.gz XODBUQFPIIJOJI-MEDUHNTESA-N 1 2 306.362 2.603 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1cccc(C)n1 ZINC000348543614 428780734 /nfs/dbraw/zinc/78/07/34/428780734.db2.gz KSXSEVSHWPRNQL-UHFFFAOYSA-N 1 2 301.346 2.939 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1cccc(C)n1 ZINC000348543614 428780737 /nfs/dbraw/zinc/78/07/37/428780737.db2.gz KSXSEVSHWPRNQL-UHFFFAOYSA-N 1 2 301.346 2.939 20 5 DFBDLO COc1cc[nH+]cc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000353850784 428746897 /nfs/dbraw/zinc/74/68/97/428746897.db2.gz XGVABWJSRYSWFY-UHFFFAOYSA-N 1 2 319.342 2.729 20 5 DFBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccoc1 ZINC000345094936 428750559 /nfs/dbraw/zinc/75/05/59/428750559.db2.gz ZRIFYQRBIADLHU-UHFFFAOYSA-N 1 2 323.736 2.912 20 5 DFBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccoc1 ZINC000345094936 428750561 /nfs/dbraw/zinc/75/05/61/428750561.db2.gz ZRIFYQRBIADLHU-UHFFFAOYSA-N 1 2 323.736 2.912 20 5 DFBDLO COc1cc(C[N@H+](C)Cc2ccc[nH]2)c([N+](=O)[O-])cc1OC ZINC000354043643 428834839 /nfs/dbraw/zinc/83/48/39/428834839.db2.gz ATPCIZLDBHIVNE-UHFFFAOYSA-N 1 2 305.334 2.572 20 5 DFBDLO COc1cc(C[N@@H+](C)Cc2ccc[nH]2)c([N+](=O)[O-])cc1OC ZINC000354043643 428834845 /nfs/dbraw/zinc/83/48/45/428834845.db2.gz ATPCIZLDBHIVNE-UHFFFAOYSA-N 1 2 305.334 2.572 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411924611 428884822 /nfs/dbraw/zinc/88/48/22/428884822.db2.gz MGIRDWGBCIVEHS-NVXWUHKLSA-N 1 2 314.341 2.608 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411924611 428884827 /nfs/dbraw/zinc/88/48/27/428884827.db2.gz MGIRDWGBCIVEHS-NVXWUHKLSA-N 1 2 314.341 2.608 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000363522053 428935606 /nfs/dbraw/zinc/93/56/06/428935606.db2.gz MRUXRYWQXLZLKW-LBPRGKRZSA-N 1 2 314.345 2.609 20 5 DFBDLO Cc1nnc([C@@H]2CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)[nH]1 ZINC000349364223 428971890 /nfs/dbraw/zinc/97/18/90/428971890.db2.gz FDBLSOHOJHVGOC-LLVKDONJSA-N 1 2 319.340 2.540 20 5 DFBDLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)[nH]1 ZINC000349364223 428971896 /nfs/dbraw/zinc/97/18/96/428971896.db2.gz FDBLSOHOJHVGOC-LLVKDONJSA-N 1 2 319.340 2.540 20 5 DFBDLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)n1 ZINC000349364223 428971902 /nfs/dbraw/zinc/97/19/02/428971902.db2.gz FDBLSOHOJHVGOC-LLVKDONJSA-N 1 2 319.340 2.540 20 5 DFBDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)n1 ZINC000349364223 428971904 /nfs/dbraw/zinc/97/19/04/428971904.db2.gz FDBLSOHOJHVGOC-LLVKDONJSA-N 1 2 319.340 2.540 20 5 DFBDLO Cc1nc([C@@H]2CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)n[nH]1 ZINC000349364223 428971907 /nfs/dbraw/zinc/97/19/07/428971907.db2.gz FDBLSOHOJHVGOC-LLVKDONJSA-N 1 2 319.340 2.540 20 5 DFBDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)n[nH]1 ZINC000349364223 428971908 /nfs/dbraw/zinc/97/19/08/428971908.db2.gz FDBLSOHOJHVGOC-LLVKDONJSA-N 1 2 319.340 2.540 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000375728182 428956200 /nfs/dbraw/zinc/95/62/00/428956200.db2.gz YNDYITJIKBIGMR-AWEZNQCLSA-N 1 2 302.334 2.664 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000375728182 428956205 /nfs/dbraw/zinc/95/62/05/428956205.db2.gz YNDYITJIKBIGMR-AWEZNQCLSA-N 1 2 302.334 2.664 20 5 DFBDLO Cc1nnc([C@H]2CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)[nH]1 ZINC000349364224 428972345 /nfs/dbraw/zinc/97/23/45/428972345.db2.gz FDBLSOHOJHVGOC-NSHDSACASA-N 1 2 319.340 2.540 20 5 DFBDLO Cc1nnc([C@H]2CCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)[nH]1 ZINC000349364224 428972350 /nfs/dbraw/zinc/97/23/50/428972350.db2.gz FDBLSOHOJHVGOC-NSHDSACASA-N 1 2 319.340 2.540 20 5 DFBDLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)n1 ZINC000349364224 428972355 /nfs/dbraw/zinc/97/23/55/428972355.db2.gz FDBLSOHOJHVGOC-NSHDSACASA-N 1 2 319.340 2.540 20 5 DFBDLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)n1 ZINC000349364224 428972363 /nfs/dbraw/zinc/97/23/63/428972363.db2.gz FDBLSOHOJHVGOC-NSHDSACASA-N 1 2 319.340 2.540 20 5 DFBDLO Cc1nc([C@H]2CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)n[nH]1 ZINC000349364224 428972370 /nfs/dbraw/zinc/97/23/70/428972370.db2.gz FDBLSOHOJHVGOC-NSHDSACASA-N 1 2 319.340 2.540 20 5 DFBDLO Cc1nc([C@H]2CCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)n[nH]1 ZINC000349364224 428972377 /nfs/dbraw/zinc/97/23/77/428972377.db2.gz FDBLSOHOJHVGOC-NSHDSACASA-N 1 2 319.340 2.540 20 5 DFBDLO Cc1cn2c([nH+]1)[C@H](CNc1ccc(N)cc1[N+](=O)[O-])CCC2 ZINC000376404172 429108676 /nfs/dbraw/zinc/10/86/76/429108676.db2.gz VHQWANZCSJLPMN-NSHDSACASA-N 1 2 301.350 2.671 20 5 DFBDLO C[C@H](CN1CCCC1=O)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413072571 429132713 /nfs/dbraw/zinc/13/27/13/429132713.db2.gz OVRFFGBVSZULAT-LLVKDONJSA-N 1 2 314.345 2.566 20 5 DFBDLO CCN(Cc1cnn(C)c1)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413090905 429136325 /nfs/dbraw/zinc/13/63/25/429136325.db2.gz BAXSPGKPYKPMKK-UHFFFAOYSA-N 1 2 311.345 2.903 20 5 DFBDLO COc1cccc(C(=O)Nc2cccc3[nH+]ccn32)c1[N+](=O)[O-] ZINC000435818785 429165949 /nfs/dbraw/zinc/16/59/49/429165949.db2.gz NWJSUSVUMZZHBO-UHFFFAOYSA-N 1 2 312.285 2.503 20 5 DFBDLO O=[N+]([O-])c1ccc(N2CCC(n3cc[nH+]c3)CC2)c([N+](=O)[O-])c1 ZINC000299483725 275035985 /nfs/dbraw/zinc/03/59/85/275035985.db2.gz DFNSEXFYRCLVHM-UHFFFAOYSA-N 1 2 317.305 2.541 20 5 DFBDLO O=C(Nc1ccccc1)C1([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000495187131 429183894 /nfs/dbraw/zinc/18/38/94/429183894.db2.gz WWCARHZRBKWVKH-UHFFFAOYSA-N 1 2 317.370 2.917 20 5 DFBDLO CO[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425428043 429293510 /nfs/dbraw/zinc/29/35/10/429293510.db2.gz VQBRWEHYWGVVTA-LLVKDONJSA-N 1 2 315.167 2.578 20 5 DFBDLO CO[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425428043 429293512 /nfs/dbraw/zinc/29/35/12/429293512.db2.gz VQBRWEHYWGVVTA-LLVKDONJSA-N 1 2 315.167 2.578 20 5 DFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000456383574 429293947 /nfs/dbraw/zinc/29/39/47/429293947.db2.gz LIRGHWGCFGGHAN-MRVPVSSYSA-N 1 2 308.363 2.672 20 5 DFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000456390088 429295335 /nfs/dbraw/zinc/29/53/35/429295335.db2.gz OOZZWIMFWRRVNM-LLVKDONJSA-N 1 2 302.334 2.611 20 5 DFBDLO COc1ccc2c(c1)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CCO2 ZINC000449521409 429441878 /nfs/dbraw/zinc/44/18/78/429441878.db2.gz GSXQAEHEEAQDEG-UHFFFAOYSA-N 1 2 314.341 2.998 20 5 DFBDLO COc1ccc2c(c1)C[N@H+](Cc1cccc([N+](=O)[O-])c1)CCO2 ZINC000449521409 429441881 /nfs/dbraw/zinc/44/18/81/429441881.db2.gz GSXQAEHEEAQDEG-UHFFFAOYSA-N 1 2 314.341 2.998 20 5 DFBDLO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3csnn3)C2)cc1 ZINC000449499307 429435089 /nfs/dbraw/zinc/43/50/89/429435089.db2.gz LRSVAHNYNGGBIB-LBPRGKRZSA-N 1 2 304.375 2.826 20 5 DFBDLO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3csnn3)C2)cc1 ZINC000449499307 429435092 /nfs/dbraw/zinc/43/50/92/429435092.db2.gz LRSVAHNYNGGBIB-LBPRGKRZSA-N 1 2 304.375 2.826 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000366614978 429488568 /nfs/dbraw/zinc/48/85/68/429488568.db2.gz AWLLPDOBFSWGQZ-UHFFFAOYSA-N 1 2 316.361 2.706 20 5 DFBDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000492248604 429494080 /nfs/dbraw/zinc/49/40/80/429494080.db2.gz DIBBSESOTKFKLP-FPLPWBNLSA-N 1 2 300.318 2.772 20 5 DFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1C[NH+](C(C)C)C1 ZINC000457717701 429513778 /nfs/dbraw/zinc/51/37/78/429513778.db2.gz IPQHUAVHCGPGSK-UHFFFAOYSA-N 1 2 323.418 2.529 20 5 DFBDLO C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450108567 429567011 /nfs/dbraw/zinc/56/70/11/429567011.db2.gz WNJQMNBJYWZXDL-VXGBXAGGSA-N 1 2 314.345 2.794 20 5 DFBDLO O=C(N[C@H]1CC=CCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449901769 429533981 /nfs/dbraw/zinc/53/39/81/429533981.db2.gz XWAUBKMAEJOXER-ZDUSSCGKSA-N 1 2 312.329 2.619 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000430227077 429665988 /nfs/dbraw/zinc/66/59/88/429665988.db2.gz OSFXQFORLQFTHN-NSHDSACASA-N 1 2 304.350 2.530 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000430227077 429665991 /nfs/dbraw/zinc/66/59/91/429665991.db2.gz OSFXQFORLQFTHN-NSHDSACASA-N 1 2 304.350 2.530 20 5 DFBDLO C[C@@H]1C[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)c2[nH+]ccn21 ZINC000450825268 429705882 /nfs/dbraw/zinc/70/58/82/429705882.db2.gz DZBIWIYTMOFPTC-MWLCHTKSSA-N 1 2 310.317 2.852 20 5 DFBDLO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](C)n3cc[nH+]c32)c1 ZINC000450828042 429708671 /nfs/dbraw/zinc/70/86/71/429708671.db2.gz JDOFPKXHHUKFPW-CABZTGNLSA-N 1 2 316.317 2.696 20 5 DFBDLO CCOC(=O)C[N@H+](CC)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000527304160 429742378 /nfs/dbraw/zinc/74/23/78/429742378.db2.gz OMBKEZYAXJTKFL-UKTHLTGXSA-N 1 2 306.362 2.883 20 5 DFBDLO CCOC(=O)C[N@@H+](CC)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000527304160 429742384 /nfs/dbraw/zinc/74/23/84/429742384.db2.gz OMBKEZYAXJTKFL-UKTHLTGXSA-N 1 2 306.362 2.883 20 5 DFBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3c(Cl)cc(F)cc3C2)c1 ZINC000451156837 429778203 /nfs/dbraw/zinc/77/82/03/429778203.db2.gz FYHJDMZNGMAMRI-UHFFFAOYSA-N 1 2 324.743 2.642 20 5 DFBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCc3c(Cl)cc(F)cc3C2)c1 ZINC000451156837 429778209 /nfs/dbraw/zinc/77/82/09/429778209.db2.gz FYHJDMZNGMAMRI-UHFFFAOYSA-N 1 2 324.743 2.642 20 5 DFBDLO O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1c[nH+]c2n1CCCC2 ZINC000493846214 429840451 /nfs/dbraw/zinc/84/04/51/429840451.db2.gz CPNSFPHFCUYSGP-BQYQJAHWSA-N 1 2 312.329 2.780 20 5 DFBDLO C[C@H](C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21)c1cccc([N+](=O)[O-])c1 ZINC000560460107 430044818 /nfs/dbraw/zinc/04/48/18/430044818.db2.gz HNLPPBKYKBBOPU-COPLHBTASA-N 1 2 314.345 2.717 20 5 DFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3C[C@@H]4C[C@H]3CS4)co2)cc1 ZINC000574166286 430019114 /nfs/dbraw/zinc/01/91/14/430019114.db2.gz WEAQZZSSRABHLK-KBPBESRZSA-N 1 2 317.370 2.940 20 5 DFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3C[C@@H]4C[C@H]3CS4)co2)cc1 ZINC000574166286 430019118 /nfs/dbraw/zinc/01/91/18/430019118.db2.gz WEAQZZSSRABHLK-KBPBESRZSA-N 1 2 317.370 2.940 20 5 DFBDLO O=[N+]([O-])c1cc2ccccc2nc1NCCCCn1cc[nH+]c1 ZINC000530437099 430116457 /nfs/dbraw/zinc/11/64/57/430116457.db2.gz INJRMGDZPDQLBP-UHFFFAOYSA-N 1 2 311.345 3.232 20 5 DFBDLO Cc1ccc(CCNc2nc3ccccc3cc2[N+](=O)[O-])c[nH+]1 ZINC000562304547 430118033 /nfs/dbraw/zinc/11/80/33/430118033.db2.gz BHAJNCRYEMTWMI-UHFFFAOYSA-N 1 2 308.341 3.501 20 5 DFBDLO CC(=O)c1ccc(N2CCC[C@@H]2Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000267374951 277111067 /nfs/dbraw/zinc/11/10/67/277111067.db2.gz KNYCYVWQQMSPJS-CQSZACIVSA-N 1 2 314.345 2.663 20 5 DFBDLO CCc1cc(N)nc(SCc2ccc(OC)c([N+](=O)[O-])c2)[nH+]1 ZINC000565343282 430207311 /nfs/dbraw/zinc/20/73/11/430207311.db2.gz UESVHIDJZFRGSB-UHFFFAOYSA-N 1 2 320.374 2.830 20 5 DFBDLO CC(C)Oc1nc(N[C@H]2C[C@@H](C)n3cc[nH+]c32)ccc1[N+](=O)[O-] ZINC000566482513 430265271 /nfs/dbraw/zinc/26/52/71/430265271.db2.gz OVEFXPQODHGBDK-MNOVXSKESA-N 1 2 317.349 3.091 20 5 DFBDLO C[C@H](CC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC000567993221 430301625 /nfs/dbraw/zinc/30/16/25/430301625.db2.gz IQMZCSOIJVENAR-NEPJUHHUSA-N 1 2 302.334 2.620 20 5 DFBDLO CC(C)OC[C@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000545325082 430316924 /nfs/dbraw/zinc/31/69/24/430316924.db2.gz OZSCHFQXFWDATR-UONOGXRCSA-N 1 2 308.378 2.782 20 5 DFBDLO CC(C)OC[C@H]1C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000545325082 430316930 /nfs/dbraw/zinc/31/69/30/430316930.db2.gz OZSCHFQXFWDATR-UONOGXRCSA-N 1 2 308.378 2.782 20 5 DFBDLO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582796395 430335197 /nfs/dbraw/zinc/33/51/97/430335197.db2.gz OLNAOFSCGDERKB-KGLIPLIRSA-N 1 2 313.361 2.607 20 5 DFBDLO O=C(NCCCCn1cc[nH+]c1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000548088097 430446094 /nfs/dbraw/zinc/44/60/94/430446094.db2.gz QRKYJBPGFQZKGW-UHFFFAOYSA-N 1 2 321.312 2.532 20 5 DFBDLO CC(C)OC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000570239033 430524709 /nfs/dbraw/zinc/52/47/09/430524709.db2.gz CRLMOSBTBCPDDI-UHFFFAOYSA-N 1 2 318.377 2.861 20 5 DFBDLO CC(C)(C)CNC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000599312911 430529785 /nfs/dbraw/zinc/52/97/85/430529785.db2.gz YYBWAGUXSIQWNF-UHFFFAOYSA-N 1 2 319.405 2.722 20 5 DFBDLO CC(C)(C)CNC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000599312911 430529789 /nfs/dbraw/zinc/52/97/89/430529789.db2.gz YYBWAGUXSIQWNF-UHFFFAOYSA-N 1 2 319.405 2.722 20 5 DFBDLO COc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3ccco3)CC2)c1 ZINC000266132352 277937750 /nfs/dbraw/zinc/93/77/50/277937750.db2.gz DDMLPRMFJKJTOG-UHFFFAOYSA-N 1 2 317.345 2.519 20 5 DFBDLO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H](C)c1cccc(OC)c1 ZINC000355541286 279233854 /nfs/dbraw/zinc/23/38/54/279233854.db2.gz HWVHOYGTSZJVPN-GFCCVEGCSA-N 1 2 318.377 2.920 20 5 DFBDLO CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H](C)c1cccc(OC)c1 ZINC000355541286 279233855 /nfs/dbraw/zinc/23/38/55/279233855.db2.gz HWVHOYGTSZJVPN-GFCCVEGCSA-N 1 2 318.377 2.920 20 5 DFBDLO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000371443319 280183906 /nfs/dbraw/zinc/18/39/06/280183906.db2.gz PJRDUZJYLCROBW-LLVKDONJSA-N 1 2 320.736 2.949 20 5 DFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000177281860 280358120 /nfs/dbraw/zinc/35/81/20/280358120.db2.gz KIASBQHRFDNJFQ-LLVKDONJSA-N 1 2 324.686 2.747 20 5 DFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000177281860 280358123 /nfs/dbraw/zinc/35/81/23/280358123.db2.gz KIASBQHRFDNJFQ-LLVKDONJSA-N 1 2 324.686 2.747 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOCC23CCCC3)c([N+](=O)[O-])c1 ZINC000284050787 280364073 /nfs/dbraw/zinc/36/40/73/280364073.db2.gz JOZIYAKNSJMJHA-UHFFFAOYSA-N 1 2 321.333 2.648 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOCC23CCCC3)c([N+](=O)[O-])c1 ZINC000284050787 280364074 /nfs/dbraw/zinc/36/40/74/280364074.db2.gz JOZIYAKNSJMJHA-UHFFFAOYSA-N 1 2 321.333 2.648 20 5 DFBDLO O=[N+]([O-])c1cnc(N2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)s1 ZINC000281850694 280379678 /nfs/dbraw/zinc/37/96/78/280379678.db2.gz JLXKIQNUBITMMY-NSHDSACASA-N 1 2 319.390 2.995 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)c1 ZINC000302829811 281010403 /nfs/dbraw/zinc/01/04/03/281010403.db2.gz KCPNLFWHURMTRU-OAHLLOKOSA-N 1 2 316.361 2.576 20 5 DFBDLO C[C@H](c1nccs1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000274274942 290284360 /nfs/dbraw/zinc/28/43/60/290284360.db2.gz GDSAWSMKDWMJAB-GFCCVEGCSA-N 1 2 318.402 2.935 20 5 DFBDLO COc1ccc(C[N@@H+]2CCOC[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000072979429 295130247 /nfs/dbraw/zinc/13/02/47/295130247.db2.gz ODMSYNYOINAILG-CQSZACIVSA-N 1 2 308.378 2.850 20 5 DFBDLO COc1ccc(C[N@H+]2CCOC[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000072979429 295130249 /nfs/dbraw/zinc/13/02/49/295130249.db2.gz ODMSYNYOINAILG-CQSZACIVSA-N 1 2 308.378 2.850 20 5 DFBDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000158664556 295366026 /nfs/dbraw/zinc/36/60/26/295366026.db2.gz DIBBSESOTKFKLP-BQYQJAHWSA-N 1 2 300.318 2.772 20 5 DFBDLO CNC(=O)c1ccc(NCc2c[nH+]c(C)cc2C)c([N+](=O)[O-])c1 ZINC000396975578 295486315 /nfs/dbraw/zinc/48/63/15/295486315.db2.gz JVVUXVZEYKDSLJ-UHFFFAOYSA-N 1 2 314.345 2.578 20 5 DFBDLO C[C@@H]1CSc2ccccc2C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000375402841 297192548 /nfs/dbraw/zinc/19/25/48/297192548.db2.gz LCHAVYFTSPLZRK-LLVKDONJSA-N 1 2 318.402 2.825 20 5 DFBDLO C[C@@H]1CSc2ccccc2C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000375402841 297192550 /nfs/dbraw/zinc/19/25/50/297192550.db2.gz LCHAVYFTSPLZRK-LLVKDONJSA-N 1 2 318.402 2.825 20 5 DFBDLO CC(C)[C@H]1OCCC[C@H]1C[NH+]=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000447678399 297312755 /nfs/dbraw/zinc/31/27/55/297312755.db2.gz ZMLJHRRHGFTZOO-XHDPSFHLSA-N 1 2 318.377 2.756 20 5 DFBDLO CC(C)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448565077 297344011 /nfs/dbraw/zinc/34/40/11/297344011.db2.gz UIDDDWSDLXUEJP-UHFFFAOYSA-N 1 2 302.334 2.556 20 5 DFBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000450000570 297573100 /nfs/dbraw/zinc/57/31/00/297573100.db2.gz VJXRNNJBXGCXAA-VXGBXAGGSA-N 1 2 314.345 2.509 20 5 DFBDLO Cc1ccc([C@@H](C)[NH2+]Cc2cn(CC3CC3)nn2)cc1[N+](=O)[O-] ZINC000450682279 297667690 /nfs/dbraw/zinc/66/76/90/297667690.db2.gz NNJVYJNACORUOK-GFCCVEGCSA-N 1 2 315.377 2.756 20 5 DFBDLO Cc1cccc(C(=O)Nc2c[nH+]c3n2CCCC3)c1[N+](=O)[O-] ZINC000452351125 297962544 /nfs/dbraw/zinc/96/25/44/297962544.db2.gz ZCVFFPXFAGUHBE-UHFFFAOYSA-N 1 2 300.318 2.688 20 5 DFBDLO C[C@@H]1C[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456392807 298516442 /nfs/dbraw/zinc/51/64/42/298516442.db2.gz RGTNBTWRHDHQPC-PELKAZGASA-N 1 2 320.736 2.881 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000539811977 301350667 /nfs/dbraw/zinc/35/06/67/301350667.db2.gz RKFUMWBWACFTRJ-ZDUSSCGKSA-N 1 2 317.389 2.518 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120121718 301430407 /nfs/dbraw/zinc/43/04/07/301430407.db2.gz AMYYCWZIODWIRQ-CQSZACIVSA-N 1 2 314.345 2.994 20 5 DFBDLO Cc1nnc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1C1CC1 ZINC000180405435 316033018 /nfs/dbraw/zinc/03/30/18/316033018.db2.gz QLFCWCMKDRRULJ-SNVBAGLBSA-N 1 2 301.350 2.680 20 5 DFBDLO COc1cc[nH+]cc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000183471785 316143528 /nfs/dbraw/zinc/14/35/28/316143528.db2.gz NLANLXOSDGZYLE-VIFPVBQESA-N 1 2 319.292 2.880 20 5 DFBDLO CC[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000185067959 316179647 /nfs/dbraw/zinc/17/96/47/316179647.db2.gz LAFLEXUHAKCBHS-JTQLQIEISA-N 1 2 320.374 2.731 20 5 DFBDLO CCOC(=O)[C@H]1CCC[N@@H+]1[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449247200 317031604 /nfs/dbraw/zinc/03/16/04/317031604.db2.gz FVODUADFCQEXLK-SWLSCSKDSA-N 1 2 306.362 2.553 20 5 DFBDLO CCOC(=O)[C@H]1CCC[N@H+]1[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449247200 317031608 /nfs/dbraw/zinc/03/16/08/317031608.db2.gz FVODUADFCQEXLK-SWLSCSKDSA-N 1 2 306.362 2.553 20 5 DFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@H]1CC=CCC1 ZINC000574872892 318046575 /nfs/dbraw/zinc/04/65/75/318046575.db2.gz CYISCLRTXFSVCU-HNNXBMFYSA-N 1 2 317.389 2.948 20 5 DFBDLO C[C@H](C(=O)Nc1cccc2[nH+]ccn21)c1cccc([N+](=O)[O-])c1 ZINC000575859132 318087641 /nfs/dbraw/zinc/08/76/41/318087641.db2.gz XMRDNMONIKQSHF-NSHDSACASA-N 1 2 310.313 2.985 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000578240259 318247998 /nfs/dbraw/zinc/24/79/98/318247998.db2.gz MSBLPROFWQINIM-LLVKDONJSA-N 1 2 302.334 2.998 20 5 DFBDLO COC(=O)c1ccoc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296810523 534300279 /nfs/dbraw/zinc/30/02/79/534300279.db2.gz UVEBHZWLXBKDSU-JTQLQIEISA-N 1 2 304.302 2.825 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1NCCc1cn3ccccc3[nH+]1)CCN2 ZINC000302433740 534884147 /nfs/dbraw/zinc/88/41/47/534884147.db2.gz LWIFHOUIOPBROE-UHFFFAOYSA-N 1 2 323.356 2.865 20 5 DFBDLO CC(C)c1nnc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[nH]1 ZINC000294843576 528443621 /nfs/dbraw/zinc/44/36/21/528443621.db2.gz RJMFBHGKMMSSDO-UHFFFAOYSA-N 1 2 309.757 2.780 20 5 DFBDLO CC[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc21)c1[nH]cc[nH+]1 ZINC000313705610 529213748 /nfs/dbraw/zinc/21/37/48/529213748.db2.gz HLHAZBMNMNCGAA-MRVPVSSYSA-N 1 2 304.335 2.886 20 5 DFBDLO CC(C)[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1cccc(F)c1 ZINC000355545750 535088073 /nfs/dbraw/zinc/08/80/73/535088073.db2.gz OZVICFWPLFSURJ-UHFFFAOYSA-N 1 2 306.341 2.878 20 5 DFBDLO CC(C)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1cccc(F)c1 ZINC000355545750 535088076 /nfs/dbraw/zinc/08/80/76/535088076.db2.gz OZVICFWPLFSURJ-UHFFFAOYSA-N 1 2 306.341 2.878 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cs1 ZINC000286551244 219049802 /nfs/dbraw/zinc/04/98/02/219049802.db2.gz OPDVTILQFRYAHO-NXEZZACHSA-N 1 2 324.324 2.649 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cs1 ZINC000286551244 219049805 /nfs/dbraw/zinc/04/98/05/219049805.db2.gz OPDVTILQFRYAHO-NXEZZACHSA-N 1 2 324.324 2.649 20 5 DFBDLO O=[N+]([O-])c1cnc(NCc2cc[nH+]c(N3CCCC3)c2)c(F)c1 ZINC000413040971 295670349 /nfs/dbraw/zinc/67/03/49/295670349.db2.gz KDWIKGAIBSMAJL-UHFFFAOYSA-N 1 2 317.324 2.736 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCC[C@@H](O)C(F)(F)F)c2c1 ZINC000413142887 295679921 /nfs/dbraw/zinc/67/99/21/295679921.db2.gz RKHDEESZJYUYOD-LLVKDONJSA-N 1 2 315.251 2.868 20 5 DFBDLO Cn1cc([C@@H]2CCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)C2)cn1 ZINC000413151502 295680679 /nfs/dbraw/zinc/68/06/79/295680679.db2.gz XMMIUMVADOSYDA-CYBMUJFWSA-N 1 2 323.356 2.870 20 5 DFBDLO O=[N+]([O-])c1cnc(NCC2CC[NH+](CC(F)F)CC2)c(F)c1 ZINC000596237828 398364715 /nfs/dbraw/zinc/36/47/15/398364715.db2.gz APDMSQCNZMQAGZ-UHFFFAOYSA-N 1 2 318.299 2.518 20 5 DFBDLO CS[C@@H](CO)[C@H](C)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413160873 295681491 /nfs/dbraw/zinc/68/14/91/295681491.db2.gz YOXZWMDQUGPCMN-ZANVPECISA-N 1 2 307.375 2.667 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)Cc1ccco1 ZINC000008199158 398370544 /nfs/dbraw/zinc/37/05/44/398370544.db2.gz MYHWOLZLWAISSW-UHFFFAOYSA-N 1 2 303.318 2.567 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)Cc1ccco1 ZINC000008199158 398370549 /nfs/dbraw/zinc/37/05/49/398370549.db2.gz MYHWOLZLWAISSW-UHFFFAOYSA-N 1 2 303.318 2.567 20 5 DFBDLO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000088559690 185257870 /nfs/dbraw/zinc/25/78/70/185257870.db2.gz DHSCKARXGQEYDR-FZMZJTMJSA-N 1 2 315.377 2.934 20 5 DFBDLO CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607081 185260109 /nfs/dbraw/zinc/26/01/09/185260109.db2.gz JIRUNFHEVBIDCH-LBPRGKRZSA-N 1 2 319.405 2.646 20 5 DFBDLO CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607081 185260110 /nfs/dbraw/zinc/26/01/10/185260110.db2.gz JIRUNFHEVBIDCH-LBPRGKRZSA-N 1 2 319.405 2.646 20 5 DFBDLO Cc1cc(NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000596298635 398380123 /nfs/dbraw/zinc/38/01/23/398380123.db2.gz JXWBXZIZYKENPI-GARJFASQSA-N 1 2 313.423 2.874 20 5 DFBDLO Cc1cc(NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000596298635 398380126 /nfs/dbraw/zinc/38/01/26/398380126.db2.gz JXWBXZIZYKENPI-GARJFASQSA-N 1 2 313.423 2.874 20 5 DFBDLO CN(Cc1c[nH+]c[nH]1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000596306358 398381620 /nfs/dbraw/zinc/38/16/20/398381620.db2.gz PLWXDWCAZSBJJT-UHFFFAOYSA-N 1 2 300.240 2.973 20 5 DFBDLO CN(Cc1c[nH]c[nH+]1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000596306358 398381621 /nfs/dbraw/zinc/38/16/21/398381621.db2.gz PLWXDWCAZSBJJT-UHFFFAOYSA-N 1 2 300.240 2.973 20 5 DFBDLO CCOc1cc(C[NH2+][C@H](C)c2nnc(C)o2)ccc1[N+](=O)[O-] ZINC000584696310 398397528 /nfs/dbraw/zinc/39/75/28/398397528.db2.gz RQKBQZVJSNWRIV-SECBINFHSA-N 1 2 306.322 2.536 20 5 DFBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1[nH+]ccn1CC ZINC000297410257 529730425 /nfs/dbraw/zinc/73/04/25/529730425.db2.gz NEDLYKHRNMWFEO-UHFFFAOYSA-N 1 2 317.349 2.695 20 5 DFBDLO CC[C@@H]([NH2+]Cc1nc([C@@H](C)OC)no1)c1cccc([N+](=O)[O-])c1 ZINC000181532998 199312602 /nfs/dbraw/zinc/31/26/02/199312602.db2.gz IHTJHEVSTYWYDT-ZWNOBZJWSA-N 1 2 320.349 2.926 20 5 DFBDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000066939831 398408285 /nfs/dbraw/zinc/40/82/85/398408285.db2.gz VNKLCCQUBRWNPP-ZUZCIYMTSA-N 1 2 317.320 2.611 20 5 DFBDLO C[C@@H](Nc1ncc([N+](=O)[O-])cc1C(F)(F)F)c1[nH+]ccn1C ZINC000596542760 398443130 /nfs/dbraw/zinc/44/31/30/398443130.db2.gz PXZBCTRYQWLJIW-SSDOTTSWSA-N 1 2 315.255 2.915 20 5 DFBDLO Cn1ccnc1[C@@H]1[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000596580909 398453545 /nfs/dbraw/zinc/45/35/45/398453545.db2.gz MQIWGMLMKZYXIC-HNNXBMFYSA-N 1 2 314.389 2.954 20 5 DFBDLO Cn1ccnc1[C@@H]1[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000596580909 398453549 /nfs/dbraw/zinc/45/35/49/398453549.db2.gz MQIWGMLMKZYXIC-HNNXBMFYSA-N 1 2 314.389 2.954 20 5 DFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000090007242 398474441 /nfs/dbraw/zinc/47/44/41/398474441.db2.gz TVQOHEIEIUCRLU-MRXNPFEDSA-N 1 2 320.389 2.993 20 5 DFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000090007242 398474443 /nfs/dbraw/zinc/47/44/43/398474443.db2.gz TVQOHEIEIUCRLU-MRXNPFEDSA-N 1 2 320.389 2.993 20 5 DFBDLO CC[C@@H](NC(=O)C(C)(C)c1c[nH]c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000592770804 398482851 /nfs/dbraw/zinc/48/28/51/398482851.db2.gz DQAHEDLEDBRSDJ-CYBMUJFWSA-N 1 2 316.361 2.863 20 5 DFBDLO O=[N+]([O-])c1cncc(Cl)c1NCCc1[nH]c2ccccc2[nH+]1 ZINC000589105295 398526789 /nfs/dbraw/zinc/52/67/89/398526789.db2.gz DFYPGOMQCWYPFR-UHFFFAOYSA-N 1 2 317.736 2.596 20 5 DFBDLO Cc1ccn2cc(CNc3c(Cl)cncc3[N+](=O)[O-])[nH+]c2c1 ZINC000589107471 398526818 /nfs/dbraw/zinc/52/68/18/398526818.db2.gz WOONTBMLSJGEIK-UHFFFAOYSA-N 1 2 317.736 2.633 20 5 DFBDLO CC(C)[C@@H](C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032245507 398527453 /nfs/dbraw/zinc/52/74/53/398527453.db2.gz FEXOOMDQLSZZGO-GFCCVEGCSA-N 1 2 316.361 2.897 20 5 DFBDLO Cn1c[nH+]cc1[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000589128498 398529067 /nfs/dbraw/zinc/52/90/67/398529067.db2.gz ALVAKEQKCMBWMO-SNVBAGLBSA-N 1 2 320.374 2.757 20 5 DFBDLO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000593058071 398533601 /nfs/dbraw/zinc/53/36/01/398533601.db2.gz IUFQNJNIEXCZDK-ZDUSSCGKSA-N 1 2 308.378 2.993 20 5 DFBDLO CC[C@H]1COC(C)(C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000593058071 398533604 /nfs/dbraw/zinc/53/36/04/398533604.db2.gz IUFQNJNIEXCZDK-ZDUSSCGKSA-N 1 2 308.378 2.993 20 5 DFBDLO CC[C@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](CC)CO1 ZINC000593057213 398533924 /nfs/dbraw/zinc/53/39/24/398533924.db2.gz DCELIUYWCTYZRS-KBPBESRZSA-N 1 2 308.378 2.993 20 5 DFBDLO CC[C@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](CC)CO1 ZINC000593057213 398533929 /nfs/dbraw/zinc/53/39/29/398533929.db2.gz DCELIUYWCTYZRS-KBPBESRZSA-N 1 2 308.378 2.993 20 5 DFBDLO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000075489378 282553178 /nfs/dbraw/zinc/55/31/78/282553178.db2.gz GFMNMMNWGMEQQV-UHFFFAOYSA-N 1 2 317.349 2.769 20 5 DFBDLO C[C@H](C[NH+]1CCOCC1)Nc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000318953413 398540544 /nfs/dbraw/zinc/54/05/44/398540544.db2.gz XULIPZDJZVDHPV-SNVBAGLBSA-N 1 2 315.320 2.665 20 5 DFBDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H](C)O2 ZINC000279755219 215117459 /nfs/dbraw/zinc/11/74/59/215117459.db2.gz LUMMYOLSLLUSHN-XHBSWPGZSA-N 1 2 324.352 2.502 20 5 DFBDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H](C)O2 ZINC000279755219 215117461 /nfs/dbraw/zinc/11/74/61/215117461.db2.gz LUMMYOLSLLUSHN-XHBSWPGZSA-N 1 2 324.352 2.502 20 5 DFBDLO Cc1[nH+]c2n(c1C)CCN(c1cc(C)c([N+](=O)[O-])cc1F)C2 ZINC000589686233 398570712 /nfs/dbraw/zinc/57/07/12/398570712.db2.gz WHSWWDXBTYUVBO-UHFFFAOYSA-N 1 2 304.325 2.876 20 5 DFBDLO CC(C)n1cc[nH+]c1CN1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000597145931 398575242 /nfs/dbraw/zinc/57/52/42/398575242.db2.gz LGEGLIOLWMMAQL-UHFFFAOYSA-N 1 2 316.361 2.635 20 5 DFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000072768645 398635462 /nfs/dbraw/zinc/63/54/62/398635462.db2.gz AWEXIWDRXUJSGG-TUAOUCFPSA-N 1 2 323.418 2.748 20 5 DFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000072768645 398635466 /nfs/dbraw/zinc/63/54/66/398635466.db2.gz AWEXIWDRXUJSGG-TUAOUCFPSA-N 1 2 323.418 2.748 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000597665291 398676630 /nfs/dbraw/zinc/67/66/30/398676630.db2.gz GLDSKIPXYTWQCF-GFCCVEGCSA-N 1 2 314.345 2.609 20 5 DFBDLO CN(C(=O)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000048045766 398770285 /nfs/dbraw/zinc/77/02/85/398770285.db2.gz KSUSEMCYRULGLK-UHFFFAOYSA-N 1 2 319.405 2.818 20 5 DFBDLO CN(C(=O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000048045766 398770288 /nfs/dbraw/zinc/77/02/88/398770288.db2.gz KSUSEMCYRULGLK-UHFFFAOYSA-N 1 2 319.405 2.818 20 5 DFBDLO O=C(NCC1=CCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000598380031 398803236 /nfs/dbraw/zinc/80/32/36/398803236.db2.gz YFMSJVOEFNISKB-UHFFFAOYSA-N 1 2 312.329 2.621 20 5 DFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2nccs2)CC1 ZINC000075614232 398813466 /nfs/dbraw/zinc/81/34/66/398813466.db2.gz QVHWWNJGKIZTLC-GFCCVEGCSA-N 1 2 318.402 2.935 20 5 DFBDLO Cc1nn(C)cc1C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000179787935 199080828 /nfs/dbraw/zinc/08/08/28/199080828.db2.gz JZWWWFSUIRRVFH-UHFFFAOYSA-N 1 2 308.769 2.922 20 5 DFBDLO Cc1nn(C)cc1C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000179787935 199080830 /nfs/dbraw/zinc/08/08/30/199080830.db2.gz JZWWWFSUIRRVFH-UHFFFAOYSA-N 1 2 308.769 2.922 20 5 DFBDLO Cc1c(CN2CC[NH+](Cc3ccco3)CC2)cccc1[N+](=O)[O-] ZINC000051502331 398823288 /nfs/dbraw/zinc/82/32/88/398823288.db2.gz JXHZUARARCDLGX-UHFFFAOYSA-N 1 2 315.373 2.814 20 5 DFBDLO Cc1c(C[NH+]2CCN(Cc3ccco3)CC2)cccc1[N+](=O)[O-] ZINC000051502331 398823290 /nfs/dbraw/zinc/82/32/90/398823290.db2.gz JXHZUARARCDLGX-UHFFFAOYSA-N 1 2 315.373 2.814 20 5 DFBDLO CCn1nc(C)c([N+](=O)[O-])c1NCCc1[nH+]cc(C)cc1C ZINC000594594955 398826346 /nfs/dbraw/zinc/82/63/46/398826346.db2.gz DBCVVDPNEDZBLC-UHFFFAOYSA-N 1 2 303.366 2.786 20 5 DFBDLO CCc1cc(=O)[nH]c(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000180411343 199155487 /nfs/dbraw/zinc/15/54/87/199155487.db2.gz ONTZVHUIJKIYHQ-SNVBAGLBSA-N 1 2 302.334 2.504 20 5 DFBDLO CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153082683 283351700 /nfs/dbraw/zinc/35/17/00/283351700.db2.gz CTLJZNTXEHCFEH-QWHCGFSZSA-N 1 2 319.405 2.646 20 5 DFBDLO CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153082683 283351707 /nfs/dbraw/zinc/35/17/07/283351707.db2.gz CTLJZNTXEHCFEH-QWHCGFSZSA-N 1 2 319.405 2.646 20 5 DFBDLO Cc1cc(N2CCOC[C@@H]2C)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000076677474 398865080 /nfs/dbraw/zinc/86/50/80/398865080.db2.gz TYNXYQOKTOEBJU-LBPRGKRZSA-N 1 2 314.345 2.585 20 5 DFBDLO Cc1cc(N2CCOC[C@H]2C)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000076677476 398865358 /nfs/dbraw/zinc/86/53/58/398865358.db2.gz TYNXYQOKTOEBJU-GFCCVEGCSA-N 1 2 314.345 2.585 20 5 DFBDLO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)[nH]1 ZINC000595033097 398895022 /nfs/dbraw/zinc/89/50/22/398895022.db2.gz ARUALBPTBXCFKZ-UWVGGRQHSA-N 1 2 319.365 2.696 20 5 DFBDLO Cc1c([C@H](C)[NH2+][C@@H]2C[C@@H](C)n3ncnc32)cccc1[N+](=O)[O-] ZINC000595067303 398901442 /nfs/dbraw/zinc/90/14/42/398901442.db2.gz LPBQNKJTSPRGTG-SUZMYJTESA-N 1 2 301.350 2.851 20 5 DFBDLO CCC[C@@H]1C(=O)NCC[N@@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470179660 299293043 /nfs/dbraw/zinc/29/30/43/299293043.db2.gz ARATZHBYKLZFCW-IVOILVROSA-N 1 2 317.389 2.599 20 5 DFBDLO CCC[C@@H]1C(=O)NCC[N@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470179660 299293040 /nfs/dbraw/zinc/29/30/40/299293040.db2.gz ARATZHBYKLZFCW-IVOILVROSA-N 1 2 317.389 2.599 20 5 DFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000599085878 398918450 /nfs/dbraw/zinc/91/84/50/398918450.db2.gz FNLCKPXXHGCWTC-MELADBBJSA-N 1 2 313.357 2.740 20 5 DFBDLO CCn1c[nH+]cc1[C@@H]1CCCCN1Cc1onc(C)c1[N+](=O)[O-] ZINC000595300200 398919107 /nfs/dbraw/zinc/91/91/07/398919107.db2.gz BCNKWIGGBWXTGB-LBPRGKRZSA-N 1 2 319.365 2.835 20 5 DFBDLO C[C@H]1C[C@H](CO)CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599090508 398919212 /nfs/dbraw/zinc/91/92/12/398919212.db2.gz LSQSBDKNQHKGPT-RYUDHWBXSA-N 1 2 301.346 2.598 20 5 DFBDLO O=[N+]([O-])c1c(N[C@@H]2CCN(CC(F)F)C2)ccc2c[nH+]ccc21 ZINC000599093469 398920181 /nfs/dbraw/zinc/92/01/81/398920181.db2.gz UQXQADRSJFAPIN-LLVKDONJSA-N 1 2 322.315 2.894 20 5 DFBDLO COC[C@H]1C[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000188350277 200232204 /nfs/dbraw/zinc/23/22/04/200232204.db2.gz NKJDARWINAWZHZ-UKRRQHHQSA-N 1 2 322.405 2.954 20 5 DFBDLO COC[C@H]1C[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000188350277 200232206 /nfs/dbraw/zinc/23/22/06/200232206.db2.gz NKJDARWINAWZHZ-UKRRQHHQSA-N 1 2 322.405 2.954 20 5 DFBDLO O=[N+]([O-])c1c(NC[C@H](CO)CC2CC2)ccc2c[nH+]ccc21 ZINC000599108984 398921956 /nfs/dbraw/zinc/92/19/56/398921956.db2.gz YAQHTKJFAUAVFO-GFCCVEGCSA-N 1 2 301.346 2.964 20 5 DFBDLO Cc1noc(C[N@@H+]2Cc3ccccc3O[C@H](C)C2)c1[N+](=O)[O-] ZINC000595512863 398954496 /nfs/dbraw/zinc/95/44/96/398954496.db2.gz XAMRRTRLNFHBMB-SNVBAGLBSA-N 1 2 303.318 2.674 20 5 DFBDLO Cc1noc(C[N@H+]2Cc3ccccc3O[C@H](C)C2)c1[N+](=O)[O-] ZINC000595512863 398954500 /nfs/dbraw/zinc/95/45/00/398954500.db2.gz XAMRRTRLNFHBMB-SNVBAGLBSA-N 1 2 303.318 2.674 20 5 DFBDLO CCn1cc(C[N@H+](Cc2onc(C)c2[N+](=O)[O-])C(C)C)cn1 ZINC000595557710 398970278 /nfs/dbraw/zinc/97/02/78/398970278.db2.gz ITQDPCIEHVAXAT-UHFFFAOYSA-N 1 2 307.354 2.518 20 5 DFBDLO CCn1cc(C[N@@H+](Cc2onc(C)c2[N+](=O)[O-])C(C)C)cn1 ZINC000595557710 398970283 /nfs/dbraw/zinc/97/02/83/398970283.db2.gz ITQDPCIEHVAXAT-UHFFFAOYSA-N 1 2 307.354 2.518 20 5 DFBDLO CCC[C@H]([NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000475103637 299343300 /nfs/dbraw/zinc/34/33/00/299343300.db2.gz YSSHKUKKCRRXAI-LMRWQKIVSA-N 1 2 306.362 2.929 20 5 DFBDLO COC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000595662768 399024857 /nfs/dbraw/zinc/02/48/57/399024857.db2.gz AZYBFSDMMQIUHZ-UHFFFAOYSA-N 1 2 306.362 2.903 20 5 DFBDLO COC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000595662768 399024859 /nfs/dbraw/zinc/02/48/59/399024859.db2.gz AZYBFSDMMQIUHZ-UHFFFAOYSA-N 1 2 306.362 2.903 20 5 DFBDLO COc1ccc(C[N@@H+]2CC3(CCC3)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000595674348 399029680 /nfs/dbraw/zinc/02/96/80/399029680.db2.gz KKXABSAVMYPHPU-GFCCVEGCSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1ccc(C[N@H+]2CC3(CCC3)OC[C@H]2C)cc1[N+](=O)[O-] ZINC000595674348 399029684 /nfs/dbraw/zinc/02/96/84/399029684.db2.gz KKXABSAVMYPHPU-GFCCVEGCSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC2(CCC2)OC[C@@H]1C ZINC000595676281 399030353 /nfs/dbraw/zinc/03/03/53/399030353.db2.gz RTRUQJYEGJLRFZ-LBPRGKRZSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC2(CCC2)OC[C@@H]1C ZINC000595676281 399030359 /nfs/dbraw/zinc/03/03/59/399030359.db2.gz RTRUQJYEGJLRFZ-LBPRGKRZSA-N 1 2 306.362 2.747 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCc2c(O)cccc2C1 ZINC000599646932 399042053 /nfs/dbraw/zinc/04/20/53/399042053.db2.gz MXNZLRWXOJZDDY-UHFFFAOYSA-N 1 2 300.314 2.564 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCc2c(O)cccc2C1 ZINC000599646932 399042056 /nfs/dbraw/zinc/04/20/56/399042056.db2.gz MXNZLRWXOJZDDY-UHFFFAOYSA-N 1 2 300.314 2.564 20 5 DFBDLO CCOc1cc(C[NH+]2C[C@@H](C)C(=O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000595713560 399050103 /nfs/dbraw/zinc/05/01/03/399050103.db2.gz KHYJJTDWDNBWOY-VXGBXAGGSA-N 1 2 306.362 2.650 20 5 DFBDLO Cc1cc(NC[C@H]2CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000057828409 399063722 /nfs/dbraw/zinc/06/37/22/399063722.db2.gz JKEWVYHXRXOWHV-GFCCVEGCSA-N 1 2 314.345 2.809 20 5 DFBDLO CC(=O)Nc1nc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC000271780446 209207093 /nfs/dbraw/zinc/20/70/93/209207093.db2.gz RYSQCASJCRLVPK-SECBINFHSA-N 1 2 320.374 2.861 20 5 DFBDLO COc1ccc([C@@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])C2CC2)cn1 ZINC000599701590 399070478 /nfs/dbraw/zinc/07/04/78/399070478.db2.gz ACMRFTPNUZUPOT-AWEZNQCLSA-N 1 2 318.333 2.536 20 5 DFBDLO Cc1cc(N2CCO[C@@H](C)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000059017944 399107829 /nfs/dbraw/zinc/10/78/29/399107829.db2.gz KTDKWUAJQAGAGY-LBPRGKRZSA-N 1 2 314.345 2.585 20 5 DFBDLO CC(C)c1nc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)no1 ZINC000282454482 217008808 /nfs/dbraw/zinc/00/88/08/217008808.db2.gz MCQSSZDIMWCBRX-UHFFFAOYSA-N 1 2 304.350 2.776 20 5 DFBDLO CC(C)c1nc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)no1 ZINC000282454482 217008811 /nfs/dbraw/zinc/00/88/11/217008811.db2.gz MCQSSZDIMWCBRX-UHFFFAOYSA-N 1 2 304.350 2.776 20 5 DFBDLO COC(=O)c1ccc(-c2c[nH+]c3n2CCCC3)c([N+](=O)[O-])c1 ZINC000600845045 399158709 /nfs/dbraw/zinc/15/87/09/399158709.db2.gz GNWKKFSEPPNPLZ-UHFFFAOYSA-N 1 2 301.302 2.581 20 5 DFBDLO Cc1cccn2cc(CCNc3ncc([N+](=O)[O-])cc3C)[nH+]c12 ZINC000080675791 399169066 /nfs/dbraw/zinc/16/90/66/399169066.db2.gz BFCJFNHSBQBAGR-UHFFFAOYSA-N 1 2 311.345 2.909 20 5 DFBDLO O=[N+]([O-])c1sccc1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000063258113 399181402 /nfs/dbraw/zinc/18/14/02/399181402.db2.gz LCJLCFUEPQAUAI-UHFFFAOYSA-N 1 2 320.374 2.500 20 5 DFBDLO C[N@H+](CCC(F)(F)F)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000064635334 399229190 /nfs/dbraw/zinc/22/91/90/399229190.db2.gz BSDRITFXSQXXBB-UHFFFAOYSA-N 1 2 320.267 2.846 20 5 DFBDLO C[N@@H+](CCC(F)(F)F)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000064635334 399229191 /nfs/dbraw/zinc/22/91/91/399229191.db2.gz BSDRITFXSQXXBB-UHFFFAOYSA-N 1 2 320.267 2.846 20 5 DFBDLO C[C@@H](N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F ZINC000267444615 206072693 /nfs/dbraw/zinc/07/26/93/206072693.db2.gz PTDUNNYASVAUKF-LLVKDONJSA-N 1 2 317.311 2.663 20 5 DFBDLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000023992320 182371077 /nfs/dbraw/zinc/37/10/77/182371077.db2.gz FFKWMRREHOUTAM-LBPRGKRZSA-N 1 2 317.345 2.955 20 5 DFBDLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000023992320 182371080 /nfs/dbraw/zinc/37/10/80/182371080.db2.gz FFKWMRREHOUTAM-LBPRGKRZSA-N 1 2 317.345 2.955 20 5 DFBDLO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)[C@@H](C)O1 ZINC000615000382 399290066 /nfs/dbraw/zinc/29/00/66/399290066.db2.gz MEXDJYIDWDGXDR-OUAUKWLOSA-N 1 2 305.334 2.734 20 5 DFBDLO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)[C@@H](C)O1 ZINC000615000382 399290067 /nfs/dbraw/zinc/29/00/67/399290067.db2.gz MEXDJYIDWDGXDR-OUAUKWLOSA-N 1 2 305.334 2.734 20 5 DFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421554013 296265393 /nfs/dbraw/zinc/26/53/93/296265393.db2.gz MOIHGQRJHSKAAU-LBPRGKRZSA-N 1 2 316.361 2.919 20 5 DFBDLO CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1ccoc1 ZINC000608833331 399298430 /nfs/dbraw/zinc/29/84/30/399298430.db2.gz MTILOAKDLGHNMN-UHFFFAOYSA-N 1 2 317.345 2.957 20 5 DFBDLO CC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1ccoc1 ZINC000608833331 399298431 /nfs/dbraw/zinc/29/84/31/399298431.db2.gz MTILOAKDLGHNMN-UHFFFAOYSA-N 1 2 317.345 2.957 20 5 DFBDLO Cn1ncc2c1nc[nH+]c2SCCc1ccc([N+](=O)[O-])cc1 ZINC000042155167 183235964 /nfs/dbraw/zinc/23/59/64/183235964.db2.gz JMQYPVVFRZBGKM-UHFFFAOYSA-N 1 2 315.358 2.606 20 5 DFBDLO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000609623048 399326984 /nfs/dbraw/zinc/32/69/84/399326984.db2.gz HOEXLAZNZCKDRE-UHFFFAOYSA-N 1 2 312.285 2.503 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000274226945 211436859 /nfs/dbraw/zinc/43/68/59/211436859.db2.gz DEXRVFZNORTYPT-LBPRGKRZSA-N 1 2 317.349 2.618 20 5 DFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCC(F)(F)F ZINC000104678365 194023563 /nfs/dbraw/zinc/02/35/63/194023563.db2.gz NWMDTRUSPCIKOM-VIFPVBQESA-N 1 2 319.283 2.806 20 5 DFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCC(F)(F)F ZINC000104678365 194023565 /nfs/dbraw/zinc/02/35/65/194023565.db2.gz NWMDTRUSPCIKOM-VIFPVBQESA-N 1 2 319.283 2.806 20 5 DFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCC(F)(F)F ZINC000104678367 194023812 /nfs/dbraw/zinc/02/38/12/194023812.db2.gz NWMDTRUSPCIKOM-SECBINFHSA-N 1 2 319.283 2.806 20 5 DFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCC(F)(F)F ZINC000104678367 194023814 /nfs/dbraw/zinc/02/38/14/194023814.db2.gz NWMDTRUSPCIKOM-SECBINFHSA-N 1 2 319.283 2.806 20 5 DFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCC(F)(F)F ZINC000104678519 194024751 /nfs/dbraw/zinc/02/47/51/194024751.db2.gz BHSRZZKTJWBXKO-VIFPVBQESA-N 1 2 319.283 2.806 20 5 DFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCC(F)(F)F ZINC000104678519 194024754 /nfs/dbraw/zinc/02/47/54/194024754.db2.gz BHSRZZKTJWBXKO-VIFPVBQESA-N 1 2 319.283 2.806 20 5 DFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(O)c3)CC2)s1 ZINC000610278118 399352597 /nfs/dbraw/zinc/35/25/97/399352597.db2.gz VECONYSKYREUEY-UHFFFAOYSA-N 1 2 319.386 2.684 20 5 DFBDLO COc1cc(N2CCC[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000610276365 399352603 /nfs/dbraw/zinc/35/26/03/399352603.db2.gz QVEXVKITRKWNDS-CYBMUJFWSA-N 1 2 302.334 2.641 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CCCO1 ZINC000285359716 218396294 /nfs/dbraw/zinc/39/62/94/218396294.db2.gz QMJNPWQEXHIYPW-LLVKDONJSA-N 1 2 300.305 2.874 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CCCO1 ZINC000285359716 218396296 /nfs/dbraw/zinc/39/62/96/218396296.db2.gz QMJNPWQEXHIYPW-LLVKDONJSA-N 1 2 300.305 2.874 20 5 DFBDLO Cc1nc(N2CCCC[C@@H]2c2c[nH+]cn2C)ccc1[N+](=O)[O-] ZINC000610754893 399402480 /nfs/dbraw/zinc/40/24/80/399402480.db2.gz KYRCGJAVJNLSTB-CYBMUJFWSA-N 1 2 301.350 2.763 20 5 DFBDLO Cn1cccc1C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610763332 399404224 /nfs/dbraw/zinc/40/42/24/399404224.db2.gz KKZRVBNSLBBFBW-UHFFFAOYSA-N 1 2 300.318 2.707 20 5 DFBDLO Cn1cccc1C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610763332 399404227 /nfs/dbraw/zinc/40/42/27/399404227.db2.gz KKZRVBNSLBBFBW-UHFFFAOYSA-N 1 2 300.318 2.707 20 5 DFBDLO CCCCn1nnnc1C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000610820891 399409171 /nfs/dbraw/zinc/40/91/71/399409171.db2.gz IHWBLZXRJBXCMK-CQSZACIVSA-N 1 2 318.381 2.622 20 5 DFBDLO O=[N+]([O-])c1cc(F)cc(Oc2cc(-n3cc[nH+]c3)ncn2)c1 ZINC000610915430 399418272 /nfs/dbraw/zinc/41/82/72/399418272.db2.gz QSYXOZHNVHPNOB-UHFFFAOYSA-N 1 2 301.237 2.502 20 5 DFBDLO Cc1c(CC(=O)Nc2ccc3[nH+]ccn3c2)cccc1[N+](=O)[O-] ZINC000610970304 399423214 /nfs/dbraw/zinc/42/32/14/399423214.db2.gz JNROBNFHSARITF-UHFFFAOYSA-N 1 2 310.313 2.732 20 5 DFBDLO C[C@H]1COCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000611272442 399455554 /nfs/dbraw/zinc/45/55/54/399455554.db2.gz OIFIKDCCUXYHAR-JTQLQIEISA-N 1 2 316.304 2.807 20 5 DFBDLO C[C@H]1COCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000611272442 399455558 /nfs/dbraw/zinc/45/55/58/399455558.db2.gz OIFIKDCCUXYHAR-JTQLQIEISA-N 1 2 316.304 2.807 20 5 DFBDLO CC[C@H](C)N(OC)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000269106945 207245397 /nfs/dbraw/zinc/24/53/97/207245397.db2.gz AWHZYHNNXDXDJE-NSHDSACASA-N 1 2 318.333 2.583 20 5 DFBDLO C[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1F ZINC000611501469 399483346 /nfs/dbraw/zinc/48/33/46/399483346.db2.gz CJPDVHGIFHEOJJ-MFKMUULPSA-N 1 2 320.324 2.825 20 5 DFBDLO C[C@@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1F ZINC000611501469 399483347 /nfs/dbraw/zinc/48/33/47/399483347.db2.gz CJPDVHGIFHEOJJ-MFKMUULPSA-N 1 2 320.324 2.825 20 5 DFBDLO COc1cc(C[N@@H+]2CCOc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000611515388 399485900 /nfs/dbraw/zinc/48/59/00/399485900.db2.gz YTMGUNYVRQJAQB-UHFFFAOYSA-N 1 2 314.341 2.998 20 5 DFBDLO COc1cc(C[N@H+]2CCOc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000611515388 399485901 /nfs/dbraw/zinc/48/59/01/399485901.db2.gz YTMGUNYVRQJAQB-UHFFFAOYSA-N 1 2 314.341 2.998 20 5 DFBDLO C[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1F ZINC000611521556 399487065 /nfs/dbraw/zinc/48/70/65/399487065.db2.gz VAXQEHWGRPMOAZ-CMPLNLGQSA-N 1 2 310.325 2.546 20 5 DFBDLO C[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1F ZINC000611521556 399487066 /nfs/dbraw/zinc/48/70/66/399487066.db2.gz VAXQEHWGRPMOAZ-CMPLNLGQSA-N 1 2 310.325 2.546 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611579902 399496744 /nfs/dbraw/zinc/49/67/44/399496744.db2.gz YHSWQXVRARMJBN-SECBINFHSA-N 1 2 304.268 2.938 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611579902 399496745 /nfs/dbraw/zinc/49/67/45/399496745.db2.gz YHSWQXVRARMJBN-SECBINFHSA-N 1 2 304.268 2.938 20 5 DFBDLO Cc1cc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000119749068 195029051 /nfs/dbraw/zinc/02/90/51/195029051.db2.gz DHXKRVSBMIEPDB-UHFFFAOYSA-N 1 2 300.318 2.662 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120121880 195099893 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DFBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120186904 195114684 /nfs/dbraw/zinc/11/46/84/195114684.db2.gz KEVXQHVNHZZVNM-CQSZACIVSA-N 1 2 314.345 2.614 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOc3cc(O)ccc3C2)cc1F ZINC000285483337 285113618 /nfs/dbraw/zinc/11/36/18/285113618.db2.gz LOGJEYNESRTYFR-UHFFFAOYSA-N 1 2 318.304 2.834 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOc3cc(O)ccc3C2)cc1F ZINC000285483337 285113621 /nfs/dbraw/zinc/11/36/21/285113621.db2.gz LOGJEYNESRTYFR-UHFFFAOYSA-N 1 2 318.304 2.834 20 5 DFBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000266931019 285116685 /nfs/dbraw/zinc/11/66/85/285116685.db2.gz SRKCCLJOWXPBPI-ZDUSSCGKSA-N 1 2 321.768 2.677 20 5 DFBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000266931019 285116690 /nfs/dbraw/zinc/11/66/90/285116690.db2.gz SRKCCLJOWXPBPI-ZDUSSCGKSA-N 1 2 321.768 2.677 20 5 DFBDLO O=[N+]([O-])c1ccccc1CN[C@H](c1[nH]cc[nH+]1)c1cccnc1 ZINC000195065497 285160875 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DFBDLO Cc1occc1C[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000055052774 542452889 /nfs/dbraw/zinc/45/28/89/542452889.db2.gz PSWPNPMSALLIJN-UHFFFAOYSA-N 1 2 303.318 2.567 20 5 DFBDLO Cc1occc1C[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000055052774 542452892 /nfs/dbraw/zinc/45/28/92/542452892.db2.gz PSWPNPMSALLIJN-UHFFFAOYSA-N 1 2 303.318 2.567 20 5 DFBDLO Cc1occc1C[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000055054300 542453196 /nfs/dbraw/zinc/45/31/96/542453196.db2.gz ONCSVNHSYGBKOO-UHFFFAOYSA-N 1 2 317.345 2.591 20 5 DFBDLO Cc1occc1C[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000055054300 542453199 /nfs/dbraw/zinc/45/31/99/542453199.db2.gz ONCSVNHSYGBKOO-UHFFFAOYSA-N 1 2 317.345 2.591 20 5 DFBDLO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)[nH]1 ZINC000271597785 209045277 /nfs/dbraw/zinc/04/52/77/209045277.db2.gz ZFBTXDHBJVSKRG-GHMZBOCLSA-N 1 2 303.366 2.996 20 5 DFBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000289950005 221336220 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Cc1cc[nH+]c(N2CCN(Cc3csc([N+](=O)[O-])c3)CC2)c1 ZINC000166088829 145233038 /nfs/dbraw/zinc/23/30/38/145233038.db2.gz JGLONCMHCWUMNN-UHFFFAOYSA-N 1 2 318.402 2.682 20 5 DFBDLO C[N@H+](CC[S@@](=O)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000355265896 147245844 /nfs/dbraw/zinc/24/58/44/147245844.db2.gz OTJQHQRZCOKFTC-JOCHJYFZSA-N 1 2 318.398 2.834 20 5 DFBDLO C[N@@H+](CC[S@@](=O)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000355265896 147245848 /nfs/dbraw/zinc/24/58/48/147245848.db2.gz OTJQHQRZCOKFTC-JOCHJYFZSA-N 1 2 318.398 2.834 20 5 DFBDLO Cc1c(CC(=O)Nc2ccn3cc[nH+]c3c2)cccc1[N+](=O)[O-] ZINC000355284501 147252728 /nfs/dbraw/zinc/25/27/28/147252728.db2.gz BATBRAXMHMGXFZ-UHFFFAOYSA-N 1 2 310.313 2.732 20 5 DFBDLO COc1ccc(C[N@H+](Cc2c([N+](=O)[O-])ncn2C)C2CC2)cc1 ZINC000355654194 147399658 /nfs/dbraw/zinc/39/96/58/147399658.db2.gz GJBQJJIIZFJFFI-UHFFFAOYSA-N 1 2 316.361 2.502 20 5 DFBDLO COc1ccc(C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C2CC2)cc1 ZINC000355654194 147399662 /nfs/dbraw/zinc/39/96/62/147399662.db2.gz GJBQJJIIZFJFFI-UHFFFAOYSA-N 1 2 316.361 2.502 20 5 DFBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000357293826 147935592 /nfs/dbraw/zinc/93/55/92/147935592.db2.gz BDFDNJYEUYTERX-VIFPVBQESA-N 1 2 312.276 2.893 20 5 DFBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1ccncc1[N+](=O)[O-] ZINC000360990808 149001474 /nfs/dbraw/zinc/00/14/74/149001474.db2.gz OIBVMYSNVYIHRC-UHFFFAOYSA-N 1 2 323.356 2.871 20 5 DFBDLO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000361055377 149019065 /nfs/dbraw/zinc/01/90/65/149019065.db2.gz DWELKHUQZIUNPC-GFCCVEGCSA-N 1 2 318.381 2.614 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1cnccc1C ZINC000361424400 149113145 /nfs/dbraw/zinc/11/31/45/149113145.db2.gz ZTFCOLODFQFGTG-UHFFFAOYSA-N 1 2 301.346 2.939 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1cnccc1C ZINC000361424400 149113149 /nfs/dbraw/zinc/11/31/49/149113149.db2.gz ZTFCOLODFQFGTG-UHFFFAOYSA-N 1 2 301.346 2.939 20 5 DFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](COCC2CC2)C1 ZINC000362608051 149323365 /nfs/dbraw/zinc/32/33/65/149323365.db2.gz XOBBAGDNKRJMLR-ZFWWWQNUSA-N 1 2 320.389 2.783 20 5 DFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](COCC2CC2)C1 ZINC000362608051 149323367 /nfs/dbraw/zinc/32/33/67/149323367.db2.gz XOBBAGDNKRJMLR-ZFWWWQNUSA-N 1 2 320.389 2.783 20 5 DFBDLO Cc1ccc(C[N@@H+]2CCO[C@@H](COC(C)C)C2)cc1[N+](=O)[O-] ZINC000372117190 150139542 /nfs/dbraw/zinc/13/95/42/150139542.db2.gz QPFWHYFWSXFOKO-OAHLLOKOSA-N 1 2 308.378 2.529 20 5 DFBDLO Cc1ccc(C[N@H+]2CCO[C@@H](COC(C)C)C2)cc1[N+](=O)[O-] ZINC000372117190 150139543 /nfs/dbraw/zinc/13/95/43/150139543.db2.gz QPFWHYFWSXFOKO-OAHLLOKOSA-N 1 2 308.378 2.529 20 5 DFBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H](O)C(F)(F)F ZINC000182412860 158002052 /nfs/dbraw/zinc/00/20/52/158002052.db2.gz FVZIUHJSIPQSCU-SNVBAGLBSA-N 1 2 312.675 2.603 20 5 DFBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H](O)C(F)(F)F ZINC000182412860 158002056 /nfs/dbraw/zinc/00/20/56/158002056.db2.gz FVZIUHJSIPQSCU-SNVBAGLBSA-N 1 2 312.675 2.603 20 5 DFBDLO CC[C@H](C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000248105322 158160347 /nfs/dbraw/zinc/16/03/47/158160347.db2.gz IKVJZRPVPDROTA-NSHDSACASA-N 1 2 302.334 2.651 20 5 DFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@](C)(F)C1 ZINC000295581317 225012290 /nfs/dbraw/zinc/01/22/90/225012290.db2.gz ZNRXKHOCQUKSEM-ABAIWWIYSA-N 1 2 309.341 2.746 20 5 DFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@](C)(F)C1 ZINC000295581317 225012294 /nfs/dbraw/zinc/01/22/94/225012294.db2.gz ZNRXKHOCQUKSEM-ABAIWWIYSA-N 1 2 309.341 2.746 20 5 DFBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000295799621 225249774 /nfs/dbraw/zinc/24/97/74/225249774.db2.gz GANUGCWRUDJDIE-ZDUSSCGKSA-N 1 2 314.345 2.552 20 5 DFBDLO Cc1cc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc([N+](=O)[O-])c1 ZINC000299686282 229331379 /nfs/dbraw/zinc/33/13/79/229331379.db2.gz UKUPFUSPMZBWEY-UHFFFAOYSA-N 1 2 314.345 2.646 20 5 DFBDLO Cc1cc([N+](=O)[O-])cnc1NCCc1[nH]c2ccc(F)cc2[nH+]1 ZINC000301711929 229844893 /nfs/dbraw/zinc/84/48/93/229844893.db2.gz ICMKKEBTLIRFNR-UHFFFAOYSA-N 1 2 315.308 2.968 20 5 DFBDLO C[C@H](NC(=O)Cc1cn2ccccc2[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000194057287 268090266 /nfs/dbraw/zinc/09/02/66/268090266.db2.gz LXRQZVIBVFYBHE-LBPRGKRZSA-N 1 2 324.340 2.662 20 5 DFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)[NH+]1[C@H](C)CC[C@H]1C ZINC000274252474 268257486 /nfs/dbraw/zinc/25/74/86/268257486.db2.gz YXLGETOLPZRXLS-GMTAPVOTSA-N 1 2 307.350 2.500 20 5 DFBDLO Cc1cc(NC(C)(C)C[NH+]2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000308662627 268335452 /nfs/dbraw/zinc/33/54/52/268335452.db2.gz ILAOFPUNETVPKK-UHFFFAOYSA-N 1 2 311.357 2.565 20 5 DFBDLO CC(C)(C[NH+]1CCOCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000308657311 268335524 /nfs/dbraw/zinc/33/55/24/268335524.db2.gz CEYKZUAEQNRMEB-UHFFFAOYSA-N 1 2 313.785 2.771 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331296554 268355561 /nfs/dbraw/zinc/35/55/61/268355561.db2.gz AJZBBFQQKMOJDL-HNNXBMFYSA-N 1 2 308.378 2.850 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000331296554 268355562 /nfs/dbraw/zinc/35/55/62/268355562.db2.gz AJZBBFQQKMOJDL-HNNXBMFYSA-N 1 2 308.378 2.850 20 5 DFBDLO Cc1cn2cc(NC(=O)Cc3ccccc3[N+](=O)[O-])ccc2[nH+]1 ZINC000071478565 425987548 /nfs/dbraw/zinc/98/75/48/425987548.db2.gz KVKSZDKGHFSDJC-UHFFFAOYSA-N 1 2 310.313 2.732 20 5 DFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCSCC1 ZINC000103468106 425949269 /nfs/dbraw/zinc/94/92/69/425949269.db2.gz BEOHYQZSHOCCJM-JTQLQIEISA-N 1 2 320.374 2.755 20 5 DFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCSCC1 ZINC000103468108 425949339 /nfs/dbraw/zinc/94/93/39/425949339.db2.gz BEOHYQZSHOCCJM-SNVBAGLBSA-N 1 2 320.374 2.755 20 5 DFBDLO C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000125005505 425949775 /nfs/dbraw/zinc/94/97/75/425949775.db2.gz OIXBFJKMTAEQQS-SWLSCSKDSA-N 1 2 314.345 2.515 20 5 DFBDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000108206666 426011867 /nfs/dbraw/zinc/01/18/67/426011867.db2.gz VCIBEXRRGASKHN-AVGNSLFASA-N 1 2 324.402 2.962 20 5 DFBDLO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000108206666 426011868 /nfs/dbraw/zinc/01/18/68/426011868.db2.gz VCIBEXRRGASKHN-AVGNSLFASA-N 1 2 324.402 2.962 20 5 DFBDLO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCN1CC(F)(F)F ZINC000128157208 426104712 /nfs/dbraw/zinc/10/47/12/426104712.db2.gz MYCOPYMMRVMLRH-LLVKDONJSA-N 1 2 317.311 2.663 20 5 DFBDLO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCN1CC(F)(F)F ZINC000128157208 426104716 /nfs/dbraw/zinc/10/47/16/426104716.db2.gz MYCOPYMMRVMLRH-LLVKDONJSA-N 1 2 317.311 2.663 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCn2ncnc21 ZINC000164719317 426116522 /nfs/dbraw/zinc/11/65/22/426116522.db2.gz OHQWIOMBLDMXFQ-FZMZJTMJSA-N 1 2 301.350 2.680 20 5 DFBDLO Cc1c([C@@H](C)[NH2+][C@H]2CCCn3ncnc32)cccc1[N+](=O)[O-] ZINC000164720141 426116637 /nfs/dbraw/zinc/11/66/37/426116637.db2.gz JFIXQLNELCCIEG-YPMHNXCESA-N 1 2 301.350 2.680 20 5 DFBDLO Cc1c([C@H](C)[NH2+][C@@H]2CCCn3ncnc32)cccc1[N+](=O)[O-] ZINC000164720037 426117264 /nfs/dbraw/zinc/11/72/64/426117264.db2.gz JFIXQLNELCCIEG-WCQYABFASA-N 1 2 301.350 2.680 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCn2ncnc21 ZINC000164719072 426117590 /nfs/dbraw/zinc/11/75/90/426117590.db2.gz OHQWIOMBLDMXFQ-SMDDNHRTSA-N 1 2 301.350 2.680 20 5 DFBDLO COc1c(C)c[nH+]c(CN(C)c2ncc(C)cc2[N+](=O)[O-])c1C ZINC000078655818 426179942 /nfs/dbraw/zinc/17/99/42/426179942.db2.gz YOMNFKCODOFROV-UHFFFAOYSA-N 1 2 316.361 2.955 20 5 DFBDLO CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607969 426277656 /nfs/dbraw/zinc/27/76/56/426277656.db2.gz VPNVPWPPGYLOMB-GFCCVEGCSA-N 1 2 319.405 2.646 20 5 DFBDLO CCC(CC)NC(=O)[C@@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607969 426277658 /nfs/dbraw/zinc/27/76/58/426277658.db2.gz VPNVPWPPGYLOMB-GFCCVEGCSA-N 1 2 319.405 2.646 20 5 DFBDLO CCC[C@@H](C(=O)OCC)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606452 426277717 /nfs/dbraw/zinc/27/77/17/426277717.db2.gz DHCDZQFCGHLJDQ-HNNXBMFYSA-N 1 2 306.362 2.685 20 5 DFBDLO CCC[C@@H](C(=O)OCC)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606452 426277719 /nfs/dbraw/zinc/27/77/19/426277719.db2.gz DHCDZQFCGHLJDQ-HNNXBMFYSA-N 1 2 306.362 2.685 20 5 DFBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)Cn1cc[nH+]c1 ZINC000153608797 426394098 /nfs/dbraw/zinc/39/40/98/426394098.db2.gz ILSFSHSETSLDJQ-JTQLQIEISA-N 1 2 322.752 2.511 20 5 DFBDLO Nc1c(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)cccc1[N+](=O)[O-] ZINC000176464124 426384408 /nfs/dbraw/zinc/38/44/08/426384408.db2.gz DSPKKNZVVQRMAL-UHFFFAOYSA-N 1 2 323.312 2.819 20 5 DFBDLO C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H]1C ZINC000177043871 426438140 /nfs/dbraw/zinc/43/81/40/426438140.db2.gz MZXGGEHJNWNBOG-VXGBXAGGSA-N 1 2 314.345 2.651 20 5 DFBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000177271315 426462280 /nfs/dbraw/zinc/46/22/80/426462280.db2.gz KHTHOSKDKQPJAV-NSHDSACASA-N 1 2 324.686 2.747 20 5 DFBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000177271315 426462282 /nfs/dbraw/zinc/46/22/82/426462282.db2.gz KHTHOSKDKQPJAV-NSHDSACASA-N 1 2 324.686 2.747 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(CC(F)F)CC1 ZINC000272354764 426504079 /nfs/dbraw/zinc/50/40/79/426504079.db2.gz RIKHHDGCAKOWNE-LBPRGKRZSA-N 1 2 313.348 2.847 20 5 DFBDLO Cc1cnn(C)c1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000289129966 426588918 /nfs/dbraw/zinc/58/89/18/426588918.db2.gz OKYSSZPTUJFJTB-UHFFFAOYSA-N 1 2 300.362 2.801 20 5 DFBDLO Cc1cnn(C)c1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000289129966 426588921 /nfs/dbraw/zinc/58/89/21/426588921.db2.gz OKYSSZPTUJFJTB-UHFFFAOYSA-N 1 2 300.362 2.801 20 5 DFBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000280569832 426602137 /nfs/dbraw/zinc/60/21/37/426602137.db2.gz LPZKDSFJKXIZGC-MEBBXXQBSA-N 1 2 321.333 2.502 20 5 DFBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000280569832 426602140 /nfs/dbraw/zinc/60/21/40/426602140.db2.gz LPZKDSFJKXIZGC-MEBBXXQBSA-N 1 2 321.333 2.502 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC=C(C)C1 ZINC000280687992 426634967 /nfs/dbraw/zinc/63/49/67/426634967.db2.gz AUCPIAOCEAVTAC-GFCCVEGCSA-N 1 2 319.361 2.582 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC=C(C)C1 ZINC000280687992 426634971 /nfs/dbraw/zinc/63/49/71/426634971.db2.gz AUCPIAOCEAVTAC-GFCCVEGCSA-N 1 2 319.361 2.582 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1nnc(C)s1 ZINC000273607258 426695627 /nfs/dbraw/zinc/69/56/27/426695627.db2.gz MUCDEUCDPUQYGZ-QMMMGPOBSA-N 1 2 308.363 2.614 20 5 DFBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000281820873 426772854 /nfs/dbraw/zinc/77/28/54/426772854.db2.gz OCZMITBGSASTBV-LBPRGKRZSA-N 1 2 317.349 2.507 20 5 DFBDLO Cn1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(C(F)F)n1 ZINC000274490978 426780023 /nfs/dbraw/zinc/78/00/23/426780023.db2.gz OZOZIKQFKYLMHU-UHFFFAOYSA-N 1 2 310.304 2.898 20 5 DFBDLO Cn1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(C(F)F)n1 ZINC000274490978 426780028 /nfs/dbraw/zinc/78/00/28/426780028.db2.gz OZOZIKQFKYLMHU-UHFFFAOYSA-N 1 2 310.304 2.898 20 5 DFBDLO C[C@](O)(Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000281968494 426803582 /nfs/dbraw/zinc/80/35/82/426803582.db2.gz UEAUJTHYKWHDMA-LBPRGKRZSA-N 1 2 315.251 2.772 20 5 DFBDLO O=[N+]([O-])c1ccc(-c2nc(COCc3[nH]cc[nH+]3)co2)cc1 ZINC000180046863 426833964 /nfs/dbraw/zinc/83/39/64/426833964.db2.gz BGGJGXDPTSWXQS-UHFFFAOYSA-N 1 2 300.274 2.690 20 5 DFBDLO COc1ccc(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)cc1[N+](=O)[O-] ZINC000295245420 426876442 /nfs/dbraw/zinc/87/64/42/426876442.db2.gz PPRWOZLTQFNMIV-CMPLNLGQSA-N 1 2 302.334 2.596 20 5 DFBDLO CC(C)Cn1ncnc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282370521 426896484 /nfs/dbraw/zinc/89/64/84/426896484.db2.gz FBUKBNYCYRNMPV-UHFFFAOYSA-N 1 2 317.393 2.517 20 5 DFBDLO CC(C)Cn1ncnc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282370521 426896488 /nfs/dbraw/zinc/89/64/88/426896488.db2.gz FBUKBNYCYRNMPV-UHFFFAOYSA-N 1 2 317.393 2.517 20 5 DFBDLO CC(C)n1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])nn1 ZINC000291670605 426946891 /nfs/dbraw/zinc/94/68/91/426946891.db2.gz GJPWXBGSTMMXMH-UHFFFAOYSA-N 1 2 303.366 2.792 20 5 DFBDLO COc1cc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000268237046 426959084 /nfs/dbraw/zinc/95/90/84/426959084.db2.gz GTNQIEHRGVPKHV-IUODEOHRSA-N 1 2 316.361 2.887 20 5 DFBDLO Cc1cnc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000268296194 426979898 /nfs/dbraw/zinc/97/98/98/426979898.db2.gz WOQFZXBSULPJBO-OCCSQVGLSA-N 1 2 301.350 2.582 20 5 DFBDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000268507690 427038267 /nfs/dbraw/zinc/03/82/67/427038267.db2.gz BQHHKEMRSZRHMM-CQSZACIVSA-N 1 2 306.362 2.901 20 5 DFBDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000268507690 427038271 /nfs/dbraw/zinc/03/82/71/427038271.db2.gz BQHHKEMRSZRHMM-CQSZACIVSA-N 1 2 306.362 2.901 20 5 DFBDLO O=[N+]([O-])c1cnc(NCCCc2[nH]c3ccccc3[nH+]2)s1 ZINC000190321980 427074530 /nfs/dbraw/zinc/07/45/30/427074530.db2.gz UHNPEXRBAIVBHE-UHFFFAOYSA-N 1 2 303.347 2.972 20 5 DFBDLO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ncnn2C)cc1[N+](=O)[O-] ZINC000276549906 427099684 /nfs/dbraw/zinc/09/96/84/427099684.db2.gz FCDXHDMLPBSZTD-MNOVXSKESA-N 1 2 319.365 2.534 20 5 DFBDLO C[C@H]([NH2+]Cc1nnc(C(C)(C)C)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000292978160 427211601 /nfs/dbraw/zinc/21/16/01/427211601.db2.gz QTCIUDRKRMKCLF-JTQLQIEISA-N 1 2 303.366 2.861 20 5 DFBDLO Cn1c(Cl)cnc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285452186 427235970 /nfs/dbraw/zinc/23/59/70/427235970.db2.gz YNVGTRQPDJZLMO-UHFFFAOYSA-N 1 2 308.769 2.656 20 5 DFBDLO Cn1c(Cl)cnc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285452186 427235976 /nfs/dbraw/zinc/23/59/76/427235976.db2.gz YNVGTRQPDJZLMO-UHFFFAOYSA-N 1 2 308.769 2.656 20 5 DFBDLO CC(C)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1nncn1C ZINC000285462013 427237835 /nfs/dbraw/zinc/23/78/35/427237835.db2.gz UGNDMRVBAQPBLU-ZDUSSCGKSA-N 1 2 323.784 2.864 20 5 DFBDLO C[NH+](C)Cc1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000183390633 427261354 /nfs/dbraw/zinc/26/13/54/427261354.db2.gz MCTBZJMGEXFVLU-UHFFFAOYSA-N 1 2 315.329 2.614 20 5 DFBDLO CCc1nocc1C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000293419303 427317140 /nfs/dbraw/zinc/31/71/40/427317140.db2.gz MZMYTWNBONIGGQ-UHFFFAOYSA-N 1 2 305.334 2.786 20 5 DFBDLO CCc1nocc1C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000293419303 427317147 /nfs/dbraw/zinc/31/71/47/427317147.db2.gz MZMYTWNBONIGGQ-UHFFFAOYSA-N 1 2 305.334 2.786 20 5 DFBDLO COC1(C)CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000285729345 427322893 /nfs/dbraw/zinc/32/28/93/427322893.db2.gz UHVPJJNQYJGDIV-UHFFFAOYSA-N 1 2 300.305 2.874 20 5 DFBDLO COC(=O)[C@@H](C)[N@H+](Cc1ccc([N+](=O)[O-])cc1C)C1CCC1 ZINC000191651473 427399358 /nfs/dbraw/zinc/39/93/58/427399358.db2.gz ZJNWGUJDTSEXRP-GFCCVEGCSA-N 1 2 306.362 2.819 20 5 DFBDLO COC(=O)[C@@H](C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)C1CCC1 ZINC000191651473 427399362 /nfs/dbraw/zinc/39/93/62/427399362.db2.gz ZJNWGUJDTSEXRP-GFCCVEGCSA-N 1 2 306.362 2.819 20 5 DFBDLO Cn1cc([C@@H]2CSCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000191755527 427422322 /nfs/dbraw/zinc/42/23/22/427422322.db2.gz COJMIAWBPPOAFQ-HNNXBMFYSA-N 1 2 318.402 2.618 20 5 DFBDLO Cn1cc([C@@H]2CSCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000191755527 427422328 /nfs/dbraw/zinc/42/23/28/427422328.db2.gz COJMIAWBPPOAFQ-HNNXBMFYSA-N 1 2 318.402 2.618 20 5 DFBDLO COc1ccc([N+](=O)[O-])c(N2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000338674731 427433560 /nfs/dbraw/zinc/43/35/60/427433560.db2.gz CIUAOJHDWXERBY-AWEZNQCLSA-N 1 2 315.329 2.656 20 5 DFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000332195716 427540479 /nfs/dbraw/zinc/54/04/79/427540479.db2.gz ALDAWZPLEJDWFQ-GTJPDFRWSA-N 1 2 310.419 2.889 20 5 DFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000332195716 427540487 /nfs/dbraw/zinc/54/04/87/427540487.db2.gz ALDAWZPLEJDWFQ-GTJPDFRWSA-N 1 2 310.419 2.889 20 5 DFBDLO C[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000332266567 427563109 /nfs/dbraw/zinc/56/31/09/427563109.db2.gz FVFHRJAGVJJVSV-MLGOLLRUSA-N 1 2 316.361 2.580 20 5 DFBDLO C[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000332266567 427563116 /nfs/dbraw/zinc/56/31/16/427563116.db2.gz FVFHRJAGVJJVSV-MLGOLLRUSA-N 1 2 316.361 2.580 20 5 DFBDLO C[C@@H](C(=O)N1CCCCCC1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192639244 427580883 /nfs/dbraw/zinc/58/08/83/427580883.db2.gz DHRKKFCIHGWGAS-AWEZNQCLSA-N 1 2 319.405 2.818 20 5 DFBDLO C[C@@H](C(=O)N1CCCCCC1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192639244 427580890 /nfs/dbraw/zinc/58/08/90/427580890.db2.gz DHRKKFCIHGWGAS-AWEZNQCLSA-N 1 2 319.405 2.818 20 5 DFBDLO Cc1cnc([C@@H](C)[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)o1 ZINC000332423945 427609566 /nfs/dbraw/zinc/60/95/66/427609566.db2.gz SMBQOTAIWHCEOH-CYBMUJFWSA-N 1 2 316.361 2.774 20 5 DFBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000339054313 427650213 /nfs/dbraw/zinc/65/02/13/427650213.db2.gz JSXFUOVGBVSPHI-NHYWBVRUSA-N 1 2 314.341 2.955 20 5 DFBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000339054316 427652237 /nfs/dbraw/zinc/65/22/37/427652237.db2.gz JSXFUOVGBVSPHI-XHDPSFHLSA-N 1 2 314.341 2.955 20 5 DFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccoc1 ZINC000342629575 272032737 /nfs/dbraw/zinc/03/27/37/272032737.db2.gz HQSHJEBAUXQEFZ-NSHDSACASA-N 1 2 303.318 2.647 20 5 DFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccoc1 ZINC000342629575 272032740 /nfs/dbraw/zinc/03/27/40/272032740.db2.gz HQSHJEBAUXQEFZ-NSHDSACASA-N 1 2 303.318 2.647 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000339092389 427671902 /nfs/dbraw/zinc/67/19/02/427671902.db2.gz SVKGGIDSEFDMIM-GDBMZVCRSA-N 1 2 316.361 2.770 20 5 DFBDLO C[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000343937639 272240810 /nfs/dbraw/zinc/24/08/10/272240810.db2.gz STBDTBIAPOMHEM-GDBMZVCRSA-N 1 2 319.405 2.532 20 5 DFBDLO C[C@@H]1CN2CCCC[C@@H]2C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000343937639 272240811 /nfs/dbraw/zinc/24/08/11/272240811.db2.gz STBDTBIAPOMHEM-GDBMZVCRSA-N 1 2 319.405 2.532 20 5 DFBDLO CCc1c[nH+]ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344425509 272330189 /nfs/dbraw/zinc/33/01/89/272330189.db2.gz UHXSAOLFERZSIN-UHFFFAOYSA-N 1 2 319.748 2.809 20 5 DFBDLO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])nc1)c1c(F)cccc1F ZINC000344439072 272331729 /nfs/dbraw/zinc/33/17/29/272331729.db2.gz TXJVFKVBESEZTM-CYBMUJFWSA-N 1 2 322.315 2.983 20 5 DFBDLO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])nc1 ZINC000298851341 427717723 /nfs/dbraw/zinc/71/77/23/427717723.db2.gz IPCMTHSVFHLANK-LLVKDONJSA-N 1 2 315.329 2.627 20 5 DFBDLO CC[C@@H](CCO)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301330993 427790021 /nfs/dbraw/zinc/79/00/21/427790021.db2.gz DOMMFYPNSZKIGD-ZDUSSCGKSA-N 1 2 316.361 2.933 20 5 DFBDLO C[C@@H](O)C[C@@H]1CCCN1c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413201905 427988841 /nfs/dbraw/zinc/98/88/41/427988841.db2.gz KWOOONGNOSSMCC-YPMHNXCESA-N 1 2 301.346 2.883 20 5 DFBDLO C[C@H]1C[C@H]1c1noc(-c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000351081014 428009730 /nfs/dbraw/zinc/00/97/30/428009730.db2.gz IWOWRGLBKZILSU-GXSJLCMTSA-N 1 2 311.301 2.954 20 5 DFBDLO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H]2c2ncon2)cc1 ZINC000369817499 428068990 /nfs/dbraw/zinc/06/89/90/428068990.db2.gz CNLUEYOTGVQVFU-AWEZNQCLSA-N 1 2 318.333 2.584 20 5 DFBDLO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H]2c2ncon2)cc1 ZINC000369817499 428068996 /nfs/dbraw/zinc/06/89/96/428068996.db2.gz CNLUEYOTGVQVFU-AWEZNQCLSA-N 1 2 318.333 2.584 20 5 DFBDLO Cc1cc(N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000359909296 428073526 /nfs/dbraw/zinc/07/35/26/428073526.db2.gz HWECTOWIBWJJHO-VXGBXAGGSA-N 1 2 311.357 2.563 20 5 DFBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000377315225 428104674 /nfs/dbraw/zinc/10/46/74/428104674.db2.gz BOQKPTZLPMFTEU-LHRNQBEKSA-N 1 2 312.329 2.695 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000370057627 428123921 /nfs/dbraw/zinc/12/39/21/428123921.db2.gz YPKRCKYJKBNTRM-CQSZACIVSA-N 1 2 318.402 2.618 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000370057627 428123923 /nfs/dbraw/zinc/12/39/23/428123923.db2.gz YPKRCKYJKBNTRM-CQSZACIVSA-N 1 2 318.402 2.618 20 5 DFBDLO COc1cc(C[N@@H+]2CCO[C@H](c3ccco3)C2)ccc1[N+](=O)[O-] ZINC000352545967 428145865 /nfs/dbraw/zinc/14/58/65/428145865.db2.gz NVUFEJLILKIJMP-INIZCTEOSA-N 1 2 318.329 2.770 20 5 DFBDLO COc1cc(C[N@H+]2CCO[C@H](c3ccco3)C2)ccc1[N+](=O)[O-] ZINC000352545967 428145869 /nfs/dbraw/zinc/14/58/69/428145869.db2.gz NVUFEJLILKIJMP-INIZCTEOSA-N 1 2 318.329 2.770 20 5 DFBDLO Cc1nc([C@@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)no1 ZINC000377495142 428140974 /nfs/dbraw/zinc/14/09/74/428140974.db2.gz JOHWRHIQZZWCPE-AWEZNQCLSA-N 1 2 302.334 2.666 20 5 DFBDLO Cc1nc([C@@H]2CCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)no1 ZINC000377495142 428140978 /nfs/dbraw/zinc/14/09/78/428140978.db2.gz JOHWRHIQZZWCPE-AWEZNQCLSA-N 1 2 302.334 2.666 20 5 DFBDLO Cc1nc2n(c1C)CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000360074221 428145022 /nfs/dbraw/zinc/14/50/22/428145022.db2.gz ICPGCXIIRHMMAU-FNORWQNLSA-N 1 2 312.373 2.937 20 5 DFBDLO Cc1nc2n(c1C)CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000360074221 428145027 /nfs/dbraw/zinc/14/50/27/428145027.db2.gz ICPGCXIIRHMMAU-FNORWQNLSA-N 1 2 312.373 2.937 20 5 DFBDLO Cc1[nH+]c2n(c1C)CCN(C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000360074221 428145035 /nfs/dbraw/zinc/14/50/35/428145035.db2.gz ICPGCXIIRHMMAU-FNORWQNLSA-N 1 2 312.373 2.937 20 5 DFBDLO Cc1cc(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)cc([N+](=O)[O-])c1 ZINC000341709515 428164900 /nfs/dbraw/zinc/16/49/00/428164900.db2.gz VJJHRCYHEVXFLO-CQSZACIVSA-N 1 2 314.345 2.518 20 5 DFBDLO CC[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(F)cc1F ZINC000341845592 428227436 /nfs/dbraw/zinc/22/74/36/428227436.db2.gz ISODYWRCTZPHBI-GFCCVEGCSA-N 1 2 310.304 2.847 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)CN(Cc1c[nH+]c3ccccn13)CCO2 ZINC000352678144 428197166 /nfs/dbraw/zinc/19/71/66/428197166.db2.gz MNGSUIONLHUXOH-UHFFFAOYSA-N 1 2 324.340 2.637 20 5 DFBDLO Cc1cc([N+](=O)[O-])cnc1NCc1cccc(-n2cc[nH+]c2)c1 ZINC000360351362 428264311 /nfs/dbraw/zinc/26/43/11/428264311.db2.gz GOQZOQJZCUSZDL-UHFFFAOYSA-N 1 2 309.329 3.096 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000370631650 428256901 /nfs/dbraw/zinc/25/69/01/428256901.db2.gz RIGMTOGHSWZINC-MEDUHNTESA-N 1 2 306.362 2.603 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000370631650 428256907 /nfs/dbraw/zinc/25/69/07/428256907.db2.gz RIGMTOGHSWZINC-MEDUHNTESA-N 1 2 306.362 2.603 20 5 DFBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2nnc(C3CC3)s2)c(F)c1 ZINC000414553181 428337709 /nfs/dbraw/zinc/33/77/09/428337709.db2.gz IGJAFEINONGNKR-UHFFFAOYSA-N 1 2 308.338 2.753 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@H](COC(F)F)C2)c(F)c1 ZINC000353030052 428361708 /nfs/dbraw/zinc/36/17/08/428361708.db2.gz RNNLUCWRXUEQDY-QMMMGPOBSA-N 1 2 322.258 2.934 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@H](COC(F)F)C2)c(F)c1 ZINC000353030052 428361715 /nfs/dbraw/zinc/36/17/15/428361715.db2.gz RNNLUCWRXUEQDY-QMMMGPOBSA-N 1 2 322.258 2.934 20 5 DFBDLO Cc1c(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000371177876 428376622 /nfs/dbraw/zinc/37/66/22/428376622.db2.gz UZEMTHUKYNBMBE-UHFFFAOYSA-N 1 2 314.345 2.646 20 5 DFBDLO Cc1c(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000371177876 428376628 /nfs/dbraw/zinc/37/66/28/428376628.db2.gz UZEMTHUKYNBMBE-UHFFFAOYSA-N 1 2 314.345 2.646 20 5 DFBDLO Cc1cc(C(=O)N2CCC[C@@H]2c2[nH+]ccn2C)cc([N+](=O)[O-])c1 ZINC000360642413 428379766 /nfs/dbraw/zinc/37/97/66/428379766.db2.gz ORDVYFQCTIVLEZ-CQSZACIVSA-N 1 2 314.345 2.614 20 5 DFBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1 ZINC000372473603 428451235 /nfs/dbraw/zinc/45/12/35/428451235.db2.gz QFIIZRYKIZPLBQ-NSHDSACASA-N 1 2 322.315 2.907 20 5 DFBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1 ZINC000372473603 428451239 /nfs/dbraw/zinc/45/12/39/428451239.db2.gz QFIIZRYKIZPLBQ-NSHDSACASA-N 1 2 322.315 2.907 20 5 DFBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000347496245 428591760 /nfs/dbraw/zinc/59/17/60/428591760.db2.gz DFTQDCDMVQWCBP-UHFFFAOYSA-N 1 2 316.361 2.888 20 5 DFBDLO Cc1noc([C@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000353572933 428600233 /nfs/dbraw/zinc/60/02/33/428600233.db2.gz JPWJPIQUBHUVRJ-CQSZACIVSA-N 1 2 302.334 2.932 20 5 DFBDLO Cc1noc([C@H]2CCC[N@H+]2Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000353572933 428600237 /nfs/dbraw/zinc/60/02/37/428600237.db2.gz JPWJPIQUBHUVRJ-CQSZACIVSA-N 1 2 302.334 2.932 20 5 DFBDLO CC[C@H]([NH2+]Cc1nnnn1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000362185741 428652801 /nfs/dbraw/zinc/65/28/01/428652801.db2.gz YJNWDTLIGRULOX-ZDUSSCGKSA-N 1 2 318.381 2.577 20 5 DFBDLO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000353777539 428709605 /nfs/dbraw/zinc/70/96/05/428709605.db2.gz BKPISIUUXZHVBF-GJZGRUSLSA-N 1 2 308.378 2.936 20 5 DFBDLO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000353777539 428709612 /nfs/dbraw/zinc/70/96/12/428709612.db2.gz BKPISIUUXZHVBF-GJZGRUSLSA-N 1 2 308.378 2.936 20 5 DFBDLO O=[N+]([O-])c1cccc(-c2nc(CNCC[NH+]3CCC3)cs2)c1 ZINC000344848311 428713750 /nfs/dbraw/zinc/71/37/50/428713750.db2.gz PWGLRZRGDMLBGC-UHFFFAOYSA-N 1 2 318.402 2.514 20 5 DFBDLO Cc1cnc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000348417323 428737711 /nfs/dbraw/zinc/73/77/11/428737711.db2.gz TZKWVXUADCWLMS-QWRGUYRKSA-N 1 2 318.333 2.569 20 5 DFBDLO C[N@H+](Cc1ccoc1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000345093093 428750586 /nfs/dbraw/zinc/75/05/86/428750586.db2.gz SKQFLBSRAIRRDX-UHFFFAOYSA-N 1 2 314.301 2.870 20 5 DFBDLO C[N@@H+](Cc1ccoc1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000345093093 428750588 /nfs/dbraw/zinc/75/05/88/428750588.db2.gz SKQFLBSRAIRRDX-UHFFFAOYSA-N 1 2 314.301 2.870 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411924613 428884777 /nfs/dbraw/zinc/88/47/77/428884777.db2.gz MGIRDWGBCIVEHS-WBVHZDCISA-N 1 2 314.341 2.608 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411924613 428884782 /nfs/dbraw/zinc/88/47/82/428884782.db2.gz MGIRDWGBCIVEHS-WBVHZDCISA-N 1 2 314.341 2.608 20 5 DFBDLO C[N@H+](CC[S@](=O)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000355265898 429034329 /nfs/dbraw/zinc/03/43/29/429034329.db2.gz OTJQHQRZCOKFTC-QFIPXVFZSA-N 1 2 318.398 2.834 20 5 DFBDLO C[N@@H+](CC[S@](=O)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000355265898 429034334 /nfs/dbraw/zinc/03/43/34/429034334.db2.gz OTJQHQRZCOKFTC-QFIPXVFZSA-N 1 2 318.398 2.834 20 5 DFBDLO COc1ccnc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000424312178 429124753 /nfs/dbraw/zinc/12/47/53/429124753.db2.gz WHYNSXLSQLRAFS-NSHDSACASA-N 1 2 302.334 2.553 20 5 DFBDLO O=[N+]([O-])c1cnc(NC2CCN(c3cccc[nH+]3)CC2)c(F)c1 ZINC000413051707 429127830 /nfs/dbraw/zinc/12/78/30/429127830.db2.gz GKLHRWMJGSYRAZ-UHFFFAOYSA-N 1 2 317.324 2.605 20 5 DFBDLO Cc1[nH+]c2n(c1C)CCN(Cc1ccc([N+](=O)[O-])cc1C)C2 ZINC000363882810 429133757 /nfs/dbraw/zinc/13/37/57/429133757.db2.gz BQXOFRNOBRRBAZ-UHFFFAOYSA-N 1 2 300.362 2.732 20 5 DFBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3cc(F)cc(F)c3)C2)c1 ZINC000364336606 429186481 /nfs/dbraw/zinc/18/64/81/429186481.db2.gz LAHWJIAHIAMONS-CQSZACIVSA-N 1 2 322.315 2.907 20 5 DFBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3cc(F)cc(F)c3)C2)c1 ZINC000364336606 429186484 /nfs/dbraw/zinc/18/64/84/429186484.db2.gz LAHWJIAHIAMONS-CQSZACIVSA-N 1 2 322.315 2.907 20 5 DFBDLO CCc1cc(N)nc(SCc2ccc([N+](=O)[O-])cc2F)[nH+]1 ZINC000447792424 429306314 /nfs/dbraw/zinc/30/63/14/429306314.db2.gz VFVXNBSDNVVTOE-UHFFFAOYSA-N 1 2 308.338 2.961 20 5 DFBDLO COC(=O)[C@@H](CC(C)C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449256776 429367294 /nfs/dbraw/zinc/36/72/94/429367294.db2.gz JVSWDKPBLPASEO-TZMCWYRMSA-N 1 2 308.378 2.703 20 5 DFBDLO Cc1ccc(C(=O)Nc2nc(C[NH+](C)C)cs2)cc1[N+](=O)[O-] ZINC000457295979 429440770 /nfs/dbraw/zinc/44/07/70/429440770.db2.gz SERPTFLYZKBXBR-UHFFFAOYSA-N 1 2 320.374 2.674 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCOCC12CCCCC2 ZINC000449624790 429462574 /nfs/dbraw/zinc/46/25/74/429462574.db2.gz QMMWBRKDUKNCPY-UHFFFAOYSA-N 1 2 306.362 2.836 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCOCC12CCCCC2 ZINC000449624790 429462577 /nfs/dbraw/zinc/46/25/77/429462577.db2.gz QMMWBRKDUKNCPY-UHFFFAOYSA-N 1 2 306.362 2.836 20 5 DFBDLO C[C@@]12C[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000449448811 429419874 /nfs/dbraw/zinc/41/98/74/429419874.db2.gz JHGDJDQMESAYHU-VXAPYIKBSA-N 1 2 300.358 2.944 20 5 DFBDLO C[C@@]12C[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000449448811 429419877 /nfs/dbraw/zinc/41/98/77/429419877.db2.gz JHGDJDQMESAYHU-VXAPYIKBSA-N 1 2 300.358 2.944 20 5 DFBDLO Cc1[nH]c2ccc(COc3ccc([N+](=O)[O-])c(CO)c3)cc2[nH+]1 ZINC000428089295 429490609 /nfs/dbraw/zinc/49/06/09/429490609.db2.gz TVJCNTRHOPWISI-UHFFFAOYSA-N 1 2 313.313 2.851 20 5 DFBDLO Cc1[nH]c2cc(COc3ccc([N+](=O)[O-])c(CO)c3)ccc2[nH+]1 ZINC000428089295 429490612 /nfs/dbraw/zinc/49/06/12/429490612.db2.gz TVJCNTRHOPWISI-UHFFFAOYSA-N 1 2 313.313 2.851 20 5 DFBDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000492371270 429523150 /nfs/dbraw/zinc/52/31/50/429523150.db2.gz ZCAYEEVRBMMJTH-LAUAKBEESA-N 1 2 314.345 2.702 20 5 DFBDLO CN(CCc1cccc([N+](=O)[O-])c1)c1cccc(-n2cc[nH+]c2)n1 ZINC000367165252 429589206 /nfs/dbraw/zinc/58/92/06/429589206.db2.gz MRNDCBGPZXNXHC-UHFFFAOYSA-N 1 2 323.356 2.854 20 5 DFBDLO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1ccc(C)o1 ZINC000430213675 429663457 /nfs/dbraw/zinc/66/34/57/429663457.db2.gz USDIWURLZZHTKP-CQSZACIVSA-N 1 2 320.345 2.982 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000430226437 429665721 /nfs/dbraw/zinc/66/57/21/429665721.db2.gz AJOFOPPJAYCIMY-OAHLLOKOSA-N 1 2 308.378 2.850 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000430226437 429665724 /nfs/dbraw/zinc/66/57/24/429665724.db2.gz AJOFOPPJAYCIMY-OAHLLOKOSA-N 1 2 308.378 2.850 20 5 DFBDLO CC[C@H]([NH2+]Cc1cn(CC2CC2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000450684263 429678011 /nfs/dbraw/zinc/67/80/11/429678011.db2.gz RJLNCGLPPUBSIH-INIZCTEOSA-N 1 2 315.377 2.837 20 5 DFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCSC[C@@H]1CCO ZINC000493074046 429682321 /nfs/dbraw/zinc/68/23/21/429682321.db2.gz BWMZDJSTUTUESP-JTQLQIEISA-N 1 2 316.810 2.548 20 5 DFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCSC[C@@H]1CCO ZINC000493074046 429682324 /nfs/dbraw/zinc/68/23/24/429682324.db2.gz BWMZDJSTUTUESP-JTQLQIEISA-N 1 2 316.810 2.548 20 5 DFBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(C)[nH+]cc1C ZINC000527068494 429721347 /nfs/dbraw/zinc/72/13/47/429721347.db2.gz VJHWVWBHIVAQIP-UHFFFAOYSA-N 1 2 315.329 2.680 20 5 DFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](F)C1 ZINC000451200815 429786331 /nfs/dbraw/zinc/78/63/31/429786331.db2.gz TZTXWXVSGIFXOW-ONGXEEELSA-N 1 2 306.297 2.750 20 5 DFBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](F)C1 ZINC000451200815 429786333 /nfs/dbraw/zinc/78/63/33/429786333.db2.gz TZTXWXVSGIFXOW-ONGXEEELSA-N 1 2 306.297 2.750 20 5 DFBDLO CCn1ncnc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548426 429849600 /nfs/dbraw/zinc/84/96/00/429849600.db2.gz NAZYKKXHXUYHLL-CQSZACIVSA-N 1 2 315.377 2.586 20 5 DFBDLO CCn1ncnc1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548426 429849604 /nfs/dbraw/zinc/84/96/04/429849604.db2.gz NAZYKKXHXUYHLL-CQSZACIVSA-N 1 2 315.377 2.586 20 5 DFBDLO Nc1ccc(NC2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000368502569 429859405 /nfs/dbraw/zinc/85/94/05/429859405.db2.gz HDGYUHUFQVGOIT-UHFFFAOYSA-N 1 2 313.361 2.653 20 5 DFBDLO C[C@@H]1Cc2[nH+]cn(Cc3cc(O)ccc3[N+](=O)[O-])c2C[C@H]1C ZINC000451337745 429814255 /nfs/dbraw/zinc/81/42/55/429814255.db2.gz GPQARQSWBATIMZ-GHMZBOCLSA-N 1 2 301.346 2.916 20 5 DFBDLO Cc1ccccc1[C@@]1(F)CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000369225306 429920512 /nfs/dbraw/zinc/92/05/12/429920512.db2.gz OQIABBMDYIEQFE-MRXNPFEDSA-N 1 2 318.352 2.707 20 5 DFBDLO Cc1ccccc1[C@@]1(F)CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000369225306 429920513 /nfs/dbraw/zinc/92/05/13/429920513.db2.gz OQIABBMDYIEQFE-MRXNPFEDSA-N 1 2 318.352 2.707 20 5 DFBDLO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nccc(N)n2)cc1[N+](=O)[O-] ZINC000577572703 430115259 /nfs/dbraw/zinc/11/52/59/430115259.db2.gz DVJFOLIKQUHMNG-GHMZBOCLSA-N 1 2 301.350 2.687 20 5 DFBDLO CCOC(=O)[C@H](CC(C)C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000542003013 430199969 /nfs/dbraw/zinc/19/99/69/430199969.db2.gz GZFNIZVMHRYXRP-INIZCTEOSA-N 1 2 320.389 2.931 20 5 DFBDLO CCOC(=O)[C@H](CC(C)C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000542003013 430199972 /nfs/dbraw/zinc/19/99/72/430199972.db2.gz GZFNIZVMHRYXRP-INIZCTEOSA-N 1 2 320.389 2.931 20 5 DFBDLO CCc1nnc([C@@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])[nH]1 ZINC000581499180 430215687 /nfs/dbraw/zinc/21/56/87/430215687.db2.gz WFIWZULOXODEFJ-SKDRFNHKSA-N 1 2 301.350 2.613 20 5 DFBDLO CCc1nnc([C@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])[nH]1 ZINC000581499179 430215935 /nfs/dbraw/zinc/21/59/35/430215935.db2.gz WFIWZULOXODEFJ-JOYOIKCWSA-N 1 2 301.350 2.613 20 5 DFBDLO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582796396 430335787 /nfs/dbraw/zinc/33/57/87/430335787.db2.gz OLNAOFSCGDERKB-UONOGXRCSA-N 1 2 313.361 2.607 20 5 DFBDLO CCOCCCNc1ccc(-c2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000600783672 430533532 /nfs/dbraw/zinc/53/35/32/430533532.db2.gz GGPGDHNQCAFBQV-UHFFFAOYSA-N 1 2 301.346 3.495 20 5 DFBDLO O=[N+]([O-])c1ccccc1CNc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000601104638 430535410 /nfs/dbraw/zinc/53/54/10/430535410.db2.gz BWTOKZITDNDQHJ-UHFFFAOYSA-N 1 2 309.329 3.356 20 5 DFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nnc(C2CC2)o1 ZINC000552124972 430584796 /nfs/dbraw/zinc/58/47/96/430584796.db2.gz OQMGFAADRHCZTQ-UHFFFAOYSA-N 1 2 302.334 2.530 20 5 DFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nnc(C2CC2)o1 ZINC000552124972 430584797 /nfs/dbraw/zinc/58/47/97/430584797.db2.gz OQMGFAADRHCZTQ-UHFFFAOYSA-N 1 2 302.334 2.530 20 5 DFBDLO Cc1c[nH]c(C(C)(C)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[nH+]1 ZINC000572168851 430674783 /nfs/dbraw/zinc/67/47/83/430674783.db2.gz ODPBVMNIMQJBQL-UHFFFAOYSA-N 1 2 322.752 2.945 20 5 DFBDLO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ncnn1C ZINC000279183707 279531947 /nfs/dbraw/zinc/53/19/47/279531947.db2.gz VUBMLFCDYVMYGK-HZMBPMFUSA-N 1 2 315.377 2.797 20 5 DFBDLO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1F)[NH+]1CCOCC1 ZINC000301084775 279853425 /nfs/dbraw/zinc/85/34/25/279853425.db2.gz MHWGKUBENCPKHX-OAHLLOKOSA-N 1 2 311.357 2.503 20 5 DFBDLO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000268259233 280664812 /nfs/dbraw/zinc/66/48/12/280664812.db2.gz MECWOGVTZBBPIZ-BXUZGUMPSA-N 1 2 301.350 2.582 20 5 DFBDLO CC[C@H]1c2ccsc2CC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000376782892 288381942 /nfs/dbraw/zinc/38/19/42/288381942.db2.gz OGCINAQMAFJCFC-NSHDSACASA-N 1 2 306.391 2.899 20 5 DFBDLO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000376782892 288381944 /nfs/dbraw/zinc/38/19/44/288381944.db2.gz OGCINAQMAFJCFC-NSHDSACASA-N 1 2 306.391 2.899 20 5 DFBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cnc2cnccn12)C1CC1 ZINC000154304813 295296879 /nfs/dbraw/zinc/29/68/79/295296879.db2.gz XAPUKEGNLZLGBB-UHFFFAOYSA-N 1 2 323.356 2.802 20 5 DFBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cnc2cnccn12)C1CC1 ZINC000154304813 295296880 /nfs/dbraw/zinc/29/68/80/295296880.db2.gz XAPUKEGNLZLGBB-UHFFFAOYSA-N 1 2 323.356 2.802 20 5 DFBDLO CCC[C@@]1(C)C(=O)NCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000438471089 297094341 /nfs/dbraw/zinc/09/43/41/297094341.db2.gz RBCXOHBRKQTGSF-QLBOMPFWSA-N 1 2 317.389 2.599 20 5 DFBDLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000438471089 297094342 /nfs/dbraw/zinc/09/43/42/297094342.db2.gz RBCXOHBRKQTGSF-QLBOMPFWSA-N 1 2 317.389 2.599 20 5 DFBDLO Cn1c[nH+]cc1COc1ccc([N+](=O)[O-])cc1Br ZINC000439550473 297132027 /nfs/dbraw/zinc/13/20/27/297132027.db2.gz MBKCJVXVHWRUCB-UHFFFAOYSA-N 1 2 312.123 2.670 20 5 DFBDLO CC[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1[nH]cc[nH+]1 ZINC000442805290 297207794 /nfs/dbraw/zinc/20/77/94/297207794.db2.gz ZYMAJRURTHOMCN-JTQLQIEISA-N 1 2 313.317 2.680 20 5 DFBDLO C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448568938 297344297 /nfs/dbraw/zinc/34/42/97/297344297.db2.gz MRIHRRKBAGQSSW-GFCCVEGCSA-N 1 2 314.345 2.795 20 5 DFBDLO CC(C)(C)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448703035 297358716 /nfs/dbraw/zinc/35/87/16/297358716.db2.gz XLGVKHZCMNMUMJ-UHFFFAOYSA-N 1 2 316.361 2.947 20 5 DFBDLO CC[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448891324 297379584 /nfs/dbraw/zinc/37/95/84/297379584.db2.gz RDAFDFGCEAFJFM-CYBMUJFWSA-N 1 2 314.345 2.795 20 5 DFBDLO Cc1cc(N2CC(C)(C)[C@H]2c2[nH+]ccn2C)ncc1[N+](=O)[O-] ZINC000450638706 297660770 /nfs/dbraw/zinc/66/07/70/297660770.db2.gz CLWNNIRHHDGGCP-CYBMUJFWSA-N 1 2 301.350 2.619 20 5 DFBDLO C[C@@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)c2[nH+]ccn21 ZINC000454338061 298158100 /nfs/dbraw/zinc/15/81/00/298158100.db2.gz WJNOGPLDWRRHGR-PRHODGIISA-N 1 2 319.296 2.758 20 5 DFBDLO C[C@@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000454339145 298158560 /nfs/dbraw/zinc/15/85/60/298158560.db2.gz XKOXHMHIKMOEJE-SKDRFNHKSA-N 1 2 301.306 2.619 20 5 DFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000456343754 298501236 /nfs/dbraw/zinc/50/12/36/298501236.db2.gz GNRWOIIVKVFGQW-VIFPVBQESA-N 1 2 322.752 2.956 20 5 DFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000456350348 298504079 /nfs/dbraw/zinc/50/40/79/298504079.db2.gz JSWAHXFKAQLPRQ-VIFPVBQESA-N 1 2 322.752 2.956 20 5 DFBDLO C[C@]1(O)CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000515514828 300311905 /nfs/dbraw/zinc/31/19/05/300311905.db2.gz XRYZMAFGIRGZKW-INIZCTEOSA-N 1 2 301.346 2.884 20 5 DFBDLO C[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000516870621 300365683 /nfs/dbraw/zinc/36/56/83/300365683.db2.gz ISMWAVGHTKTARZ-VXGBXAGGSA-N 1 2 302.334 2.620 20 5 DFBDLO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000539121167 301338383 /nfs/dbraw/zinc/33/83/83/301338383.db2.gz BWAPEEQRXCWCOX-NHYWBVRUSA-N 1 2 315.377 2.989 20 5 DFBDLO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000539121168 301338546 /nfs/dbraw/zinc/33/85/46/301338546.db2.gz BWAPEEQRXCWCOX-XHDPSFHLSA-N 1 2 315.377 2.989 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000566185647 302266326 /nfs/dbraw/zinc/26/63/26/302266326.db2.gz MZBLVORYSWGWLU-OAHLLOKOSA-N 1 2 306.362 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COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000278700140 214336138 /nfs/dbraw/zinc/33/61/38/214336138.db2.gz SYHZCJUYXZQOMZ-CQSZACIVSA-N 1 2 302.334 2.664 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000278700140 214336140 /nfs/dbraw/zinc/33/61/40/214336140.db2.gz SYHZCJUYXZQOMZ-CQSZACIVSA-N 1 2 302.334 2.664 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC(n4cncn4)CC3)c2c1 ZINC000413112001 295677195 /nfs/dbraw/zinc/67/71/95/295677195.db2.gz WPWXLVLMPGTXFH-UHFFFAOYSA-N 1 2 324.344 2.576 20 5 DFBDLO CC(C)(C)C(=O)NCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413111334 295677294 /nfs/dbraw/zinc/67/72/94/295677294.db2.gz TXATXUWVDYWQBL-UHFFFAOYSA-N 1 2 316.361 2.717 20 5 DFBDLO NC(=O)[C@H]1CCC[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413155088 295680935 /nfs/dbraw/zinc/68/09/35/295680935.db2.gz PDFXTUDEWFQHOS-NWDGAFQWSA-N 1 2 314.345 2.599 20 5 DFBDLO COc1cc(NCCc2cn(C)c[nH+]2)c(Cl)cc1[N+](=O)[O-] ZINC000596264288 398371197 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C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000592191163 398399817 /nfs/dbraw/zinc/39/98/17/398399817.db2.gz ASHLJTLYKPLPOF-GFCCVEGCSA-N 1 2 306.362 2.834 20 5 DFBDLO CCc1c[nH+]ccc1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413464996 295710651 /nfs/dbraw/zinc/71/06/51/295710651.db2.gz UGLCPYUMDYZKIV-LSDHHAIUSA-N 1 2 311.341 2.716 20 5 DFBDLO CN(C)c1ccc(Nc2nc3sccn3c2[N+](=O)[O-])c[nH+]1 ZINC000023619017 398424915 /nfs/dbraw/zinc/42/49/15/398424915.db2.gz LMIVXKUSOBOILB-UHFFFAOYSA-N 1 2 304.335 2.509 20 5 DFBDLO COC(=O)CCCN(C)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000596504158 398432003 /nfs/dbraw/zinc/43/20/03/398432003.db2.gz GWHVDXLZLQOKIM-UHFFFAOYSA-N 1 2 303.318 2.532 20 5 DFBDLO C[C@H]1CO[C@H](C(F)(F)F)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000586777461 398457590 /nfs/dbraw/zinc/45/75/90/398457590.db2.gz PPEXHJMZSXUSQA-GWCFXTLKSA-N 1 2 318.295 2.789 20 5 DFBDLO C[C@H]1CO[C@H](C(F)(F)F)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000586777461 398457594 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DFBDLO CCOc1cc(C[N@H+]2C[C@@H](CC)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000593064102 398536128 /nfs/dbraw/zinc/53/61/28/398536128.db2.gz WYYKPYCZNSFFMG-GXTWGEPZSA-N 1 2 308.378 2.993 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)OCC12CCC2 ZINC000593091095 398542880 /nfs/dbraw/zinc/54/28/80/398542880.db2.gz FHXOAVCRKFIFPH-GFCCVEGCSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)OCC12CCC2 ZINC000593091095 398542884 /nfs/dbraw/zinc/54/28/84/398542884.db2.gz FHXOAVCRKFIFPH-GFCCVEGCSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1cc(CNc2cc(C)c[nH+]c2C)cc([N+](=O)[O-])c1O ZINC000593222350 398574023 /nfs/dbraw/zinc/57/40/23/398574023.db2.gz PHMRTWRPBKZCGC-UHFFFAOYSA-N 1 2 303.318 2.933 20 5 DFBDLO CCOc1cc(NC[C@@H](C)Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000092612537 398587866 /nfs/dbraw/zinc/58/78/66/398587866.db2.gz QWOMXTFRUUXQAV-GFCCVEGCSA-N 1 2 304.350 2.938 20 5 DFBDLO C[C@@H]1CCN(c2c(Cl)cncc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000590587073 398635303 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CC(C)[C@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000173862339 198262268 /nfs/dbraw/zinc/26/22/68/198262268.db2.gz DVTIVNWNFKPZFM-CQSZACIVSA-N 1 2 323.418 2.607 20 5 DFBDLO CC[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000173925118 198270120 /nfs/dbraw/zinc/27/01/20/198270120.db2.gz JSPYLAKMLVESPP-RYUDHWBXSA-N 1 2 323.418 2.749 20 5 DFBDLO CC[C@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000173925118 198270121 /nfs/dbraw/zinc/27/01/21/198270121.db2.gz JSPYLAKMLVESPP-RYUDHWBXSA-N 1 2 323.418 2.749 20 5 DFBDLO CCOc1cc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000276836834 213123895 /nfs/dbraw/zinc/12/38/95/213123895.db2.gz BVXZUYBIFUFSDP-HIFRSBDPSA-N 1 2 306.362 2.747 20 5 DFBDLO CCOc1cc(C[N@H+]2CCO[C@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000276836834 213123896 /nfs/dbraw/zinc/12/38/96/213123896.db2.gz BVXZUYBIFUFSDP-HIFRSBDPSA-N 1 2 306.362 2.747 20 5 DFBDLO CC[N@H+](CCCNc1c([N+](=O)[O-])c(C)nn1C)c1ccccc1 ZINC000051451834 398822599 /nfs/dbraw/zinc/82/25/99/398822599.db2.gz IREOFZMVPAUISF-UHFFFAOYSA-N 1 2 317.393 2.965 20 5 DFBDLO CC[N@@H+](CCCNc1c([N+](=O)[O-])c(C)nn1C)c1ccccc1 ZINC000051451834 398822600 /nfs/dbraw/zinc/82/26/00/398822600.db2.gz IREOFZMVPAUISF-UHFFFAOYSA-N 1 2 317.393 2.965 20 5 DFBDLO Cc1c(C[N@H+](C)CC(=O)Nc2ccccc2)cccc1[N+](=O)[O-] ZINC000051532098 398823063 /nfs/dbraw/zinc/82/30/63/398823063.db2.gz FLUGPZATJJKRRN-UHFFFAOYSA-N 1 2 313.357 2.974 20 5 DFBDLO Cc1c(C[N@@H+](C)CC(=O)Nc2ccccc2)cccc1[N+](=O)[O-] ZINC000051532098 398823066 /nfs/dbraw/zinc/82/30/66/398823066.db2.gz FLUGPZATJJKRRN-UHFFFAOYSA-N 1 2 313.357 2.974 20 5 DFBDLO CSc1cccc(C(=O)N[C@@H](C)c2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000598466328 398817824 /nfs/dbraw/zinc/81/78/24/398817824.db2.gz YPUQPFRMZYNMSS-VIFPVBQESA-N 1 2 320.374 2.541 20 5 DFBDLO Cc1c(C[NH+]2CCN(c3nccs3)CC2)cccc1[N+](=O)[O-] ZINC000051533781 398823320 /nfs/dbraw/zinc/82/33/20/398823320.db2.gz ZOADBISLTDMQPU-UHFFFAOYSA-N 1 2 318.402 2.682 20 5 DFBDLO CC1(C)CC[C@@H](CO)[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000598648563 398847664 /nfs/dbraw/zinc/84/76/64/398847664.db2.gz PUQCZADRWKHTAH-JTQLQIEISA-N 1 2 314.332 2.856 20 5 DFBDLO CC1(C)CC[C@@H](CO)[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000598648563 398847665 /nfs/dbraw/zinc/84/76/65/398847665.db2.gz PUQCZADRWKHTAH-JTQLQIEISA-N 1 2 314.332 2.856 20 5 DFBDLO CC(C)c1nnc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1C ZINC000180445450 199160164 /nfs/dbraw/zinc/16/01/64/199160164.db2.gz ILDFPMQFYHHVPA-LLVKDONJSA-N 1 2 303.366 2.698 20 5 DFBDLO CC(C)N(C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C(C)C ZINC000153090718 283351791 /nfs/dbraw/zinc/35/17/91/283351791.db2.gz OICQHUMKHDGUTI-UHFFFAOYSA-N 1 2 319.405 2.598 20 5 DFBDLO CC(C)N(C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C(C)C ZINC000153090718 283351793 /nfs/dbraw/zinc/35/17/93/283351793.db2.gz OICQHUMKHDGUTI-UHFFFAOYSA-N 1 2 319.405 2.598 20 5 DFBDLO C[C@@H](Nc1ncc(Br)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000139875145 398886730 /nfs/dbraw/zinc/88/67/30/398886730.db2.gz PIIJPJHUAUDIJG-ZCFIWIBFSA-N 1 2 312.127 2.649 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000595054134 398898422 /nfs/dbraw/zinc/89/84/22/398898422.db2.gz XROPSWYYZFCCTM-QWRGUYRKSA-N 1 2 304.350 2.749 20 5 DFBDLO COc1ccnc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1F ZINC000595080328 398902449 /nfs/dbraw/zinc/90/24/49/398902449.db2.gz KEBDRRHCDVUXFC-GFCCVEGCSA-N 1 2 317.320 2.915 20 5 DFBDLO C[C@H](CN1CCCC1=O)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599024260 398909952 /nfs/dbraw/zinc/90/99/52/398909952.db2.gz OKBXDUSQEHFWFT-LLVKDONJSA-N 1 2 314.345 2.566 20 5 DFBDLO Cn1cc([C@H]2CCN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])C2)cn1 ZINC000599045216 398912282 /nfs/dbraw/zinc/91/22/82/398912282.db2.gz GWRCKVNONCJPBR-ZDUSSCGKSA-N 1 2 323.356 2.870 20 5 DFBDLO CCN(Cc1cnn(C)c1)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599030353 398910469 /nfs/dbraw/zinc/91/04/69/398910469.db2.gz LTIYAMDVTIAZNG-UHFFFAOYSA-N 1 2 311.345 2.903 20 5 DFBDLO O=[N+]([O-])c1c(NCCSCCCO)ccc2c[nH+]ccc21 ZINC000599037824 398910809 /nfs/dbraw/zinc/91/08/09/398910809.db2.gz FOVVEIYJDVAXGP-UHFFFAOYSA-N 1 2 307.375 2.671 20 5 DFBDLO COC(=O)[C@]1(C)CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599058804 398914565 /nfs/dbraw/zinc/91/45/65/398914565.db2.gz VOENCENHOMTDQD-MRXNPFEDSA-N 1 2 315.329 2.532 20 5 DFBDLO CN(C[C@H](O)C(F)(F)F)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599062671 398914912 /nfs/dbraw/zinc/91/49/12/398914912.db2.gz QBDAVYITDQSZKS-NSHDSACASA-N 1 2 315.251 2.502 20 5 DFBDLO Cc1noc(C[N@H+](C)CCOc2ccccc2C)c1[N+](=O)[O-] ZINC000595285141 398916034 /nfs/dbraw/zinc/91/60/34/398916034.db2.gz LQASTUPQFZBNRX-UHFFFAOYSA-N 1 2 305.334 2.710 20 5 DFBDLO Cc1noc(C[N@@H+](C)CCOc2ccccc2C)c1[N+](=O)[O-] ZINC000595285141 398916038 /nfs/dbraw/zinc/91/60/38/398916038.db2.gz LQASTUPQFZBNRX-UHFFFAOYSA-N 1 2 305.334 2.710 20 5 DFBDLO CC(C)=CCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000595294798 398917893 /nfs/dbraw/zinc/91/78/93/398917893.db2.gz GGGBMEXACTWWBA-UHFFFAOYSA-N 1 2 323.418 2.770 20 5 DFBDLO COC(=O)C1(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599069699 398916569 /nfs/dbraw/zinc/91/65/69/398916569.db2.gz IOQIBYIVLLDYKQ-UHFFFAOYSA-N 1 2 301.302 2.508 20 5 DFBDLO CON1CCC(Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599090452 398919257 /nfs/dbraw/zinc/91/92/57/398919257.db2.gz KRIDFGLKLBKZML-UHFFFAOYSA-N 1 2 302.334 2.581 20 5 DFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC[C@H](n2ccnn2)C1 ZINC000599088424 398919262 /nfs/dbraw/zinc/91/92/62/398919262.db2.gz CVGKNNVKNIXMHW-ZDUSSCGKSA-N 1 2 324.344 2.576 20 5 DFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC(C2(O)CC2)CC1 ZINC000599096359 398920950 /nfs/dbraw/zinc/92/09/50/398920950.db2.gz QSOYMCCVHQIBTJ-UHFFFAOYSA-N 1 2 313.357 2.884 20 5 DFBDLO COC(=O)CCCN(C)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599106093 398921886 /nfs/dbraw/zinc/92/18/86/398921886.db2.gz RRLILZGVBYKFFM-UHFFFAOYSA-N 1 2 303.318 2.532 20 5 DFBDLO Cc1noc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)c1[N+](=O)[O-] ZINC000595344799 398925015 /nfs/dbraw/zinc/92/50/15/398925015.db2.gz JBJVTUZUJJQLCE-ZDUSSCGKSA-N 1 2 302.334 2.932 20 5 DFBDLO Cc1noc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)c1[N+](=O)[O-] ZINC000595344799 398925016 /nfs/dbraw/zinc/92/50/16/398925016.db2.gz JBJVTUZUJJQLCE-ZDUSSCGKSA-N 1 2 302.334 2.932 20 5 DFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCc2ccc(O)cc2C1 ZINC000595375204 398929548 /nfs/dbraw/zinc/92/95/48/398929548.db2.gz AGMHJPZVICXMPC-UHFFFAOYSA-N 1 2 302.305 2.998 20 5 DFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000595375204 398929550 /nfs/dbraw/zinc/92/95/50/398929550.db2.gz AGMHJPZVICXMPC-UHFFFAOYSA-N 1 2 302.305 2.998 20 5 DFBDLO CC[C@@H](O)C[N@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1ccccc1 ZINC000595385897 398930573 /nfs/dbraw/zinc/93/05/73/398930573.db2.gz ANVZBCZTJAOZRD-CQSZACIVSA-N 1 2 319.361 2.664 20 5 DFBDLO CC[C@@H](O)C[N@@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1ccccc1 ZINC000595385897 398930576 /nfs/dbraw/zinc/93/05/76/398930576.db2.gz ANVZBCZTJAOZRD-CQSZACIVSA-N 1 2 319.361 2.664 20 5 DFBDLO Cc1ccoc1C[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000292392781 223046226 /nfs/dbraw/zinc/04/62/26/223046226.db2.gz SKVBPHGNGFXCHB-GFCCVEGCSA-N 1 2 317.345 2.955 20 5 DFBDLO Cc1ccoc1C[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000292392781 223046227 /nfs/dbraw/zinc/04/62/27/223046227.db2.gz SKVBPHGNGFXCHB-GFCCVEGCSA-N 1 2 317.345 2.955 20 5 DFBDLO Cc1noc(C[N@H+]2Cc3ccccc3OC[C@@H]2C)c1[N+](=O)[O-] ZINC000595424965 398935545 /nfs/dbraw/zinc/93/55/45/398935545.db2.gz JKQFJXWKKVUCET-JTQLQIEISA-N 1 2 303.318 2.674 20 5 DFBDLO Cc1noc(C[N@@H+]2Cc3ccccc3OC[C@@H]2C)c1[N+](=O)[O-] ZINC000595424965 398935547 /nfs/dbraw/zinc/93/55/47/398935547.db2.gz JKQFJXWKKVUCET-JTQLQIEISA-N 1 2 303.318 2.674 20 5 DFBDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595455953 398942547 /nfs/dbraw/zinc/94/25/47/398942547.db2.gz QBRONCRHGYAVDC-ZBINZKHDSA-N 1 2 322.336 2.507 20 5 DFBDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595455953 398942549 /nfs/dbraw/zinc/94/25/49/398942549.db2.gz QBRONCRHGYAVDC-ZBINZKHDSA-N 1 2 322.336 2.507 20 5 DFBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000595468483 398945008 /nfs/dbraw/zinc/94/50/08/398945008.db2.gz RQZMJGOUQYOPAE-BFQNTYOBSA-N 1 2 324.352 2.502 20 5 DFBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000595468483 398945009 /nfs/dbraw/zinc/94/50/09/398945009.db2.gz RQZMJGOUQYOPAE-BFQNTYOBSA-N 1 2 324.352 2.502 20 5 DFBDLO Cc1ccc(C[N@H+](CCO)Cc2ccc(F)cc2[N+](=O)[O-])o1 ZINC000595468040 398945336 /nfs/dbraw/zinc/94/53/36/398945336.db2.gz XCGXJDWSHSXZPP-UHFFFAOYSA-N 1 2 308.309 2.630 20 5 DFBDLO Cc1ccc(C[N@@H+](CCO)Cc2ccc(F)cc2[N+](=O)[O-])o1 ZINC000595468040 398945337 /nfs/dbraw/zinc/94/53/37/398945337.db2.gz XCGXJDWSHSXZPP-UHFFFAOYSA-N 1 2 308.309 2.630 20 5 DFBDLO COc1c(C)c[nH+]c(CN(C)c2cc(N)ccc2[N+](=O)[O-])c1C ZINC000193398887 201046052 /nfs/dbraw/zinc/04/60/52/201046052.db2.gz IMNZUTIHZBYPMR-UHFFFAOYSA-N 1 2 316.361 2.834 20 5 DFBDLO Cc1noc(C[N@H+]2C[C@@H](C)OC3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000595561714 398973669 /nfs/dbraw/zinc/97/36/69/398973669.db2.gz LLCKLLAFALRLRK-LLVKDONJSA-N 1 2 309.366 2.815 20 5 DFBDLO Cc1noc(C[N@@H+]2C[C@@H](C)OC3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000595561714 398973673 /nfs/dbraw/zinc/97/36/73/398973673.db2.gz LLCKLLAFALRLRK-LLVKDONJSA-N 1 2 309.366 2.815 20 5 DFBDLO CCOC[C@H]1C[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCO1 ZINC000600201110 399001955 /nfs/dbraw/zinc/00/19/55/399001955.db2.gz CKMKZSKIDIZVJF-RKCSUWQLSA-N 1 2 320.389 2.735 20 5 DFBDLO CCOC[C@H]1C[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCO1 ZINC000600201110 399001957 /nfs/dbraw/zinc/00/19/57/399001957.db2.gz CKMKZSKIDIZVJF-RKCSUWQLSA-N 1 2 320.389 2.735 20 5 DFBDLO CC[C@H](C)[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(=O)OC ZINC000475136148 299344356 /nfs/dbraw/zinc/34/43/56/299344356.db2.gz HBSSWVRNRCVTFM-XYPIEMICSA-N 1 2 306.362 2.785 20 5 DFBDLO O=C(C[N@@H+]1CCCC(F)(F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000599550864 399012344 /nfs/dbraw/zinc/01/23/44/399012344.db2.gz BWGOKBASQXGHDF-UHFFFAOYSA-N 1 2 313.304 2.655 20 5 DFBDLO O=C(C[N@H+]1CCCC(F)(F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000599550864 399012346 /nfs/dbraw/zinc/01/23/46/399012346.db2.gz BWGOKBASQXGHDF-UHFFFAOYSA-N 1 2 313.304 2.655 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1N1CCC[C@H](n3cc[nH+]c3)C1)CCN2 ZINC000618152576 399021863 /nfs/dbraw/zinc/02/18/63/399021863.db2.gz VJRKRBLSSULSSV-LBPRGKRZSA-N 1 2 313.361 2.601 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC2(CCC2)OC[C@@H]1C ZINC000595680486 399032421 /nfs/dbraw/zinc/03/24/21/399032421.db2.gz HTLWFRNIXYIOEI-LBPRGKRZSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC2(CCC2)OC[C@@H]1C ZINC000595680486 399032429 /nfs/dbraw/zinc/03/24/29/399032429.db2.gz HTLWFRNIXYIOEI-LBPRGKRZSA-N 1 2 306.362 2.747 20 5 DFBDLO O=c1ccc([C@@H]2CCC[N@H+]2Cc2c(F)cccc2[N+](=O)[O-])n[nH]1 ZINC000599641303 399040351 /nfs/dbraw/zinc/04/03/51/399040351.db2.gz MTRYWQYJAGRUJJ-AWEZNQCLSA-N 1 2 318.308 2.567 20 5 DFBDLO O=c1ccc([C@@H]2CCC[N@@H+]2Cc2c(F)cccc2[N+](=O)[O-])n[nH]1 ZINC000599641303 399040354 /nfs/dbraw/zinc/04/03/54/399040354.db2.gz MTRYWQYJAGRUJJ-AWEZNQCLSA-N 1 2 318.308 2.567 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2c(O)cccc2C1 ZINC000599648095 399043510 /nfs/dbraw/zinc/04/35/10/399043510.db2.gz TVJJMUAPDFOFAB-UHFFFAOYSA-N 1 2 314.341 2.867 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2c(O)cccc2C1 ZINC000599648095 399043515 /nfs/dbraw/zinc/04/35/15/399043515.db2.gz TVJJMUAPDFOFAB-UHFFFAOYSA-N 1 2 314.341 2.867 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@](O)(C3CC3)C2)c(F)c1 ZINC000595750464 399069207 /nfs/dbraw/zinc/06/92/07/399069207.db2.gz MZTRBPMOENKMNS-OAHLLOKOSA-N 1 2 312.316 2.610 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@](O)(C3CC3)C2)c(F)c1 ZINC000595750464 399069213 /nfs/dbraw/zinc/06/92/13/399069213.db2.gz MZTRBPMOENKMNS-OAHLLOKOSA-N 1 2 312.316 2.610 20 5 DFBDLO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000595810513 399095029 /nfs/dbraw/zinc/09/50/29/399095029.db2.gz YNQHPRODOHQNEE-LBPRGKRZSA-N 1 2 306.362 2.834 20 5 DFBDLO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000595810513 399095033 /nfs/dbraw/zinc/09/50/33/399095033.db2.gz YNQHPRODOHQNEE-LBPRGKRZSA-N 1 2 306.362 2.834 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cccc3c1OCO3)CC2 ZINC000093338270 193235364 /nfs/dbraw/zinc/23/53/64/193235364.db2.gz PMAXUXGJCHLTLB-UHFFFAOYSA-N 1 2 312.325 2.882 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cccc3c1OCO3)CC2 ZINC000093338270 193235366 /nfs/dbraw/zinc/23/53/66/193235366.db2.gz PMAXUXGJCHLTLB-UHFFFAOYSA-N 1 2 312.325 2.882 20 5 DFBDLO O=[N+]([O-])c1ccccc1C=CC[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000093646053 193283928 /nfs/dbraw/zinc/28/39/28/193283928.db2.gz FCMBFJSYTMJDPM-HWKANZROSA-N 1 2 313.361 2.606 20 5 DFBDLO CC(C)C[C@H]1C[C@@H]([NH+]=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCO1 ZINC000618585875 399170688 /nfs/dbraw/zinc/17/06/88/399170688.db2.gz PTYHEINLLSLIQA-AAEUAGOBSA-N 1 2 318.377 2.899 20 5 DFBDLO Cc1nc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc[nH+]1 ZINC000266199966 205178769 /nfs/dbraw/zinc/17/87/69/205178769.db2.gz IZAWHYFMFYECCS-UHFFFAOYSA-N 1 2 314.345 2.741 20 5 DFBDLO C[C@@](CO)([NH2+]Cc1cccc(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000601150624 399241882 /nfs/dbraw/zinc/24/18/82/399241882.db2.gz ZVRCLNWJDHODAN-INIZCTEOSA-N 1 2 322.311 2.870 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000421421096 296254150 /nfs/dbraw/zinc/25/41/50/296254150.db2.gz CAFZEFJFRAPJRY-UHFFFAOYSA-N 1 2 314.345 2.925 20 5 DFBDLO COc1ccc(C(=O)NCc2cc(C)[nH+]c(C)c2)cc1[N+](=O)[O-] ZINC000421554687 296265363 /nfs/dbraw/zinc/26/53/63/296265363.db2.gz GUAQNARRRJBXNO-UHFFFAOYSA-N 1 2 315.329 2.545 20 5 DFBDLO CC[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000421577685 296267526 /nfs/dbraw/zinc/26/75/26/296267526.db2.gz GAKHFNLUNJDISH-NSHDSACASA-N 1 2 302.334 2.556 20 5 DFBDLO O=[N+]([O-])c1ccc(N2CC[C@H](CNc3cccc[nH+]3)C2)s1 ZINC000609132565 399304728 /nfs/dbraw/zinc/30/47/28/399304728.db2.gz NDHBJFXTMPBQDU-LLVKDONJSA-N 1 2 304.375 2.990 20 5 DFBDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000619175532 399307278 /nfs/dbraw/zinc/30/72/78/399307278.db2.gz INHUDCHDLUAGFK-WQGACYEGSA-N 1 2 324.352 2.502 20 5 DFBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000619175532 399307279 /nfs/dbraw/zinc/30/72/79/399307279.db2.gz INHUDCHDLUAGFK-WQGACYEGSA-N 1 2 324.352 2.502 20 5 DFBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(F)(F)CC2)c2c(c1)COCO2 ZINC000619434021 399345663 /nfs/dbraw/zinc/34/56/63/399345663.db2.gz MZKHBQXSWMPBOE-UHFFFAOYSA-N 1 2 314.288 2.692 20 5 DFBDLO COc1ccc([N+](=O)[O-])c(N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000610276422 399352937 /nfs/dbraw/zinc/35/29/37/399352937.db2.gz VCBGKFHXSAHJIK-GFCCVEGCSA-N 1 2 302.334 2.641 20 5 DFBDLO Cn1cc[nH+]c1[C@H](Nc1ncc([N+](=O)[O-])s1)c1ccccc1 ZINC000619694401 399378293 /nfs/dbraw/zinc/37/82/93/399378293.db2.gz GNOWJIOYNNDLHJ-GFCCVEGCSA-N 1 2 315.358 2.986 20 5 DFBDLO O=C(C[N@H+]1C[C@H]2CCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000610585578 399383788 /nfs/dbraw/zinc/38/37/88/399383788.db2.gz VBQYTGHEIALCHR-NOZJJQNGSA-N 1 2 309.753 2.671 20 5 DFBDLO O=C(C[N@@H+]1C[C@H]2CCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000610585580 399383661 /nfs/dbraw/zinc/38/36/61/399383661.db2.gz VBQYTGHEIALCHR-RNCFNFMXSA-N 1 2 309.753 2.671 20 5 DFBDLO O=C(C[N@H+]1C[C@H]2CCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000610585580 399383664 /nfs/dbraw/zinc/38/36/64/399383664.db2.gz VBQYTGHEIALCHR-RNCFNFMXSA-N 1 2 309.753 2.671 20 5 DFBDLO O=C(C[N@@H+]1C[C@H]2CCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000610585578 399383785 /nfs/dbraw/zinc/38/37/85/399383785.db2.gz VBQYTGHEIALCHR-NOZJJQNGSA-N 1 2 309.753 2.671 20 5 DFBDLO Cc1cccn2cc(CNC(=O)c3cc([N+](=O)[O-])ccc3C)[nH+]c12 ZINC000110798866 194360384 /nfs/dbraw/zinc/36/03/84/194360384.db2.gz DOUVNVNXARRPRO-UHFFFAOYSA-N 1 2 324.340 2.789 20 5 DFBDLO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000610786772 399406067 /nfs/dbraw/zinc/40/60/67/399406067.db2.gz NWDSYDIHTOCVHM-LRDDRELGSA-N 1 2 316.357 2.555 20 5 DFBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCC1 ZINC000611122083 399436324 /nfs/dbraw/zinc/43/63/24/399436324.db2.gz QIWZYJIHCJOAGC-NSHDSACASA-N 1 2 314.345 2.699 20 5 DFBDLO C[N@H+](Cc1cc(Br)c([N+](=O)[O-])s1)[C@@H]1CCOC1 ZINC000602462943 399450465 /nfs/dbraw/zinc/45/04/65/399450465.db2.gz QGKGPUCWLMVWGK-SSDOTTSWSA-N 1 2 321.196 2.640 20 5 DFBDLO C[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)[C@@H]1CCOC1 ZINC000602462943 399450467 /nfs/dbraw/zinc/45/04/67/399450467.db2.gz QGKGPUCWLMVWGK-SSDOTTSWSA-N 1 2 321.196 2.640 20 5 DFBDLO COc1cc(N2CCC[C@@H](n3cc[nH+]c3)C2)c(F)cc1[N+](=O)[O-] ZINC000611255956 399452521 /nfs/dbraw/zinc/45/25/21/399452521.db2.gz KPCKFRLZSSZOCB-LLVKDONJSA-N 1 2 320.324 2.781 20 5 DFBDLO Cn1cc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)c([N+](=O)[O-])n1 ZINC000602441221 399445155 /nfs/dbraw/zinc/44/51/55/399445155.db2.gz VEQQPFPZMAKZQH-AWEZNQCLSA-N 1 2 304.325 2.805 20 5 DFBDLO Cn1cc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)c([N+](=O)[O-])n1 ZINC000602441221 399445158 /nfs/dbraw/zinc/44/51/58/399445158.db2.gz VEQQPFPZMAKZQH-AWEZNQCLSA-N 1 2 304.325 2.805 20 5 DFBDLO CC(C)[N@H+](Cc1cn(C)nc1[N+](=O)[O-])Cc1ccccc1F ZINC000602440206 399445293 /nfs/dbraw/zinc/44/52/93/399445293.db2.gz ONBURJUMQOYELC-UHFFFAOYSA-N 1 2 306.341 2.878 20 5 DFBDLO CC(C)[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])Cc1ccccc1F ZINC000602440206 399445298 /nfs/dbraw/zinc/44/52/98/399445298.db2.gz ONBURJUMQOYELC-UHFFFAOYSA-N 1 2 306.341 2.878 20 5 DFBDLO CCOC(=O)C[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC(C)C ZINC000065541510 184363969 /nfs/dbraw/zinc/36/39/69/184363969.db2.gz XJCWQGBBFFUEJN-UHFFFAOYSA-N 1 2 324.377 2.625 20 5 DFBDLO CCOC(=O)C[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC(C)C ZINC000065541510 184363970 /nfs/dbraw/zinc/36/39/70/184363970.db2.gz XJCWQGBBFFUEJN-UHFFFAOYSA-N 1 2 324.377 2.625 20 5 DFBDLO COc1cc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)c([N+](=O)[O-])cc1OC ZINC000611521357 399487159 /nfs/dbraw/zinc/48/71/59/399487159.db2.gz ALKUMXQUAUEFTJ-CMPLNLGQSA-N 1 2 312.341 2.792 20 5 DFBDLO COc1cc(C[N@H+]2CC[C@H](C)[C@H](F)C2)c([N+](=O)[O-])cc1OC ZINC000611521357 399487160 /nfs/dbraw/zinc/48/71/60/399487160.db2.gz ALKUMXQUAUEFTJ-CMPLNLGQSA-N 1 2 312.341 2.792 20 5 DFBDLO C[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1F ZINC000611521557 399487483 /nfs/dbraw/zinc/48/74/83/399487483.db2.gz VAXQEHWGRPMOAZ-JQWIXIFHSA-N 1 2 310.325 2.546 20 5 DFBDLO C[C@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1F ZINC000611521557 399487486 /nfs/dbraw/zinc/48/74/86/399487486.db2.gz VAXQEHWGRPMOAZ-JQWIXIFHSA-N 1 2 310.325 2.546 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611609671 399498420 /nfs/dbraw/zinc/49/84/20/399498420.db2.gz ZVPAOXBOIUUDHY-LLVKDONJSA-N 1 2 302.277 2.504 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611609671 399498423 /nfs/dbraw/zinc/49/84/23/399498423.db2.gz ZVPAOXBOIUUDHY-LLVKDONJSA-N 1 2 302.277 2.504 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CCC(n3cc[nH+]c3)CC2)n1 ZINC000611615861 399499017 /nfs/dbraw/zinc/49/90/17/399499017.db2.gz DQWCUQOPAZNBFF-UHFFFAOYSA-N 1 2 301.350 2.645 20 5 DFBDLO COc1cccc([C@@H](CO)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])c1 ZINC000611683049 399504842 /nfs/dbraw/zinc/50/48/42/399504842.db2.gz MBZALCGUFBYDTN-OAHLLOKOSA-N 1 2 320.320 2.566 20 5 DFBDLO COC(=O)[C@H](CC(C)(C)C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000611727102 399513570 /nfs/dbraw/zinc/51/35/70/399513570.db2.gz DCUHIIIDHIZUHU-AWEZNQCLSA-N 1 2 308.378 2.705 20 5 DFBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCOC[C@@H]3C3CCC3)nc2c1 ZINC000602696276 399524131 /nfs/dbraw/zinc/52/41/31/399524131.db2.gz KQPRFDVYNPOTHK-CQSZACIVSA-N 1 2 317.345 2.737 20 5 DFBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCOC[C@@H]3C3CCC3)nc2c1 ZINC000602696276 399524136 /nfs/dbraw/zinc/52/41/36/399524136.db2.gz KQPRFDVYNPOTHK-CQSZACIVSA-N 1 2 317.345 2.737 20 5 DFBDLO CC[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](C)CO1 ZINC000602701252 399527999 /nfs/dbraw/zinc/52/79/99/399527999.db2.gz XYQQBMDKOJIPPK-PWSUYJOCSA-N 1 2 305.334 2.735 20 5 DFBDLO CC[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](C)CO1 ZINC000602701252 399528003 /nfs/dbraw/zinc/52/80/03/399528003.db2.gz XYQQBMDKOJIPPK-PWSUYJOCSA-N 1 2 305.334 2.735 20 5 DFBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H](O)C1 ZINC000289518997 285076499 /nfs/dbraw/zinc/07/64/99/285076499.db2.gz BAKNPIIHTPNDTF-SNVBAGLBSA-N 1 2 305.161 2.858 20 5 DFBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000289518997 285076501 /nfs/dbraw/zinc/07/65/01/285076501.db2.gz BAKNPIIHTPNDTF-SNVBAGLBSA-N 1 2 305.161 2.858 20 5 DFBDLO CCn1nc(C)c(C[N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])c1C ZINC000602727587 399542701 /nfs/dbraw/zinc/54/27/01/399542701.db2.gz DJAZQXHDTDFFTG-UHFFFAOYSA-N 1 2 318.377 2.766 20 5 DFBDLO CCn1nc(C)c(C[N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])c1C ZINC000602727587 399542704 /nfs/dbraw/zinc/54/27/04/399542704.db2.gz DJAZQXHDTDFFTG-UHFFFAOYSA-N 1 2 318.377 2.766 20 5 DFBDLO Cn1cc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)nn1 ZINC000611973467 399552854 /nfs/dbraw/zinc/55/28/54/399552854.db2.gz HCALDQHMWIGCRA-KRWDZBQOSA-N 1 2 323.356 2.603 20 5 DFBDLO COC(=O)c1oc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1C ZINC000602744070 399553934 /nfs/dbraw/zinc/55/39/34/399553934.db2.gz OEDWBFBDMQZOSM-UHFFFAOYSA-N 1 2 310.331 2.634 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1N1CCC(n3cc[nH+]c3)CC1)CCN2 ZINC000275350603 285146304 /nfs/dbraw/zinc/14/63/04/285146304.db2.gz JPPOKJSVCSXKFX-UHFFFAOYSA-N 1 2 313.361 2.601 20 5 DFBDLO CCC[C@@H]([NH2+]Cc1nncn1CC)c1cccc([N+](=O)[O-])c1 ZINC000158427921 197271774 /nfs/dbraw/zinc/27/17/74/197271774.db2.gz CBERJRUGSOWKOH-CQSZACIVSA-N 1 2 303.366 2.837 20 5 DFBDLO CCOc1cc(C[N@H+](C)Cc2c[nH]nc2C)ccc1[N+](=O)[O-] ZINC000602940313 399633545 /nfs/dbraw/zinc/63/35/45/399633545.db2.gz FMKMATYVANYLGK-UHFFFAOYSA-N 1 2 304.350 2.657 20 5 DFBDLO CCOc1cc(C[N@@H+](C)Cc2c[nH]nc2C)ccc1[N+](=O)[O-] ZINC000602940313 399633548 /nfs/dbraw/zinc/63/35/48/399633548.db2.gz FMKMATYVANYLGK-UHFFFAOYSA-N 1 2 304.350 2.657 20 5 DFBDLO Cc1noc([C@H]2CCC[N@@H+]2Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000289886333 221292585 /nfs/dbraw/zinc/29/25/85/221292585.db2.gz SJHAMTWWMKKFFG-CYBMUJFWSA-N 1 2 302.334 2.932 20 5 DFBDLO Cc1noc([C@H]2CCC[N@H+]2Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000289886333 221292588 /nfs/dbraw/zinc/29/25/88/221292588.db2.gz SJHAMTWWMKKFFG-CYBMUJFWSA-N 1 2 302.334 2.932 20 5 DFBDLO CO[C@@H](C)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302681031 533340731 /nfs/dbraw/zinc/34/07/31/533340731.db2.gz RWGMHPRIXMTJBG-NSHDSACASA-N 1 2 302.334 2.807 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(C)cn1 ZINC000603433636 399774864 /nfs/dbraw/zinc/77/48/64/399774864.db2.gz UVXXQPKJUBBUNJ-UHFFFAOYSA-N 1 2 301.346 2.987 20 5 DFBDLO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000604538697 399854048 /nfs/dbraw/zinc/85/40/48/399854048.db2.gz IWPPKQNBEBJISH-UHFFFAOYSA-N 1 2 311.301 2.576 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000245529292 146079775 /nfs/dbraw/zinc/07/97/75/146079775.db2.gz RGSYMSHOLOSPFU-XKQJLSEDSA-N 1 2 320.389 2.844 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000245529292 146079776 /nfs/dbraw/zinc/07/97/76/146079776.db2.gz RGSYMSHOLOSPFU-XKQJLSEDSA-N 1 2 320.389 2.844 20 5 DFBDLO CC[C@@H](NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000491982540 543408957 /nfs/dbraw/zinc/40/89/57/543408957.db2.gz JQNQPLXQMUOGPV-TXNVCOODSA-N 1 2 318.308 2.738 20 5 DFBDLO Cc1ccc(C[NH2+]Cc2ncnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000355218866 147227302 /nfs/dbraw/zinc/22/73/02/147227302.db2.gz KWHTXNPAQXLLQN-UHFFFAOYSA-N 1 2 323.356 2.774 20 5 DFBDLO CCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccc(F)cc1 ZINC000355544208 147358304 /nfs/dbraw/zinc/35/83/04/147358304.db2.gz MSUIZRSZZZSQKB-UHFFFAOYSA-N 1 2 306.341 2.880 20 5 DFBDLO CCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccc(F)cc1 ZINC000355544208 147358307 /nfs/dbraw/zinc/35/83/07/147358307.db2.gz MSUIZRSZZZSQKB-UHFFFAOYSA-N 1 2 306.341 2.880 20 5 DFBDLO COCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H](C)c1ccccc1 ZINC000355548453 147360302 /nfs/dbraw/zinc/36/03/02/147360302.db2.gz BOHOOWVCGFELEJ-ZDUSSCGKSA-N 1 2 318.377 2.538 20 5 DFBDLO COCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H](C)c1ccccc1 ZINC000355548453 147360308 /nfs/dbraw/zinc/36/03/08/147360308.db2.gz BOHOOWVCGFELEJ-ZDUSSCGKSA-N 1 2 318.377 2.538 20 5 DFBDLO O=C(NCC1=CCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000598374621 543467695 /nfs/dbraw/zinc/46/76/95/543467695.db2.gz ACQSVUZBDOFMBG-UHFFFAOYSA-N 1 2 312.329 2.621 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCCc2cn3ccccc3[nH+]2)c1 ZINC000358251389 148304147 /nfs/dbraw/zinc/30/41/47/148304147.db2.gz YXVDJVDNYRGAPO-UHFFFAOYSA-N 1 2 324.340 2.523 20 5 DFBDLO O=C(Nc1cc[nH+]cc1O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000358355963 148339660 /nfs/dbraw/zinc/33/96/60/148339660.db2.gz QFOYEIFVZGRFPR-UHFFFAOYSA-N 1 2 315.310 2.584 20 5 DFBDLO Cc1cc(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000359909295 148784117 /nfs/dbraw/zinc/78/41/17/148784117.db2.gz HWECTOWIBWJJHO-RYUDHWBXSA-N 1 2 311.357 2.563 20 5 DFBDLO C[C@@H]([NH2+]Cc1nnc(C2CCC2)n1C)c1ccccc1[N+](=O)[O-] ZINC000361149995 149040079 /nfs/dbraw/zinc/04/00/79/149040079.db2.gz XODQJXBBVXDCIP-LLVKDONJSA-N 1 2 315.377 2.842 20 5 DFBDLO Cc1cc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nc[nH+]1 ZINC000361176071 149047782 /nfs/dbraw/zinc/04/77/82/149047782.db2.gz CCGDOKKLDRMZML-UHFFFAOYSA-N 1 2 314.345 2.741 20 5 DFBDLO O=C(C[NH+]1CCC(C(F)F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000362730659 149353219 /nfs/dbraw/zinc/35/32/19/149353219.db2.gz ZMGKFPHDZUBVAN-UHFFFAOYSA-N 1 2 313.304 2.510 20 5 DFBDLO Cc1cn2c([nH+]1)[C@H](CNc1nc(C)ccc1[N+](=O)[O-])CCC2 ZINC000371252540 150011279 /nfs/dbraw/zinc/01/12/79/150011279.db2.gz DGNCCVSEOVYNJL-LBPRGKRZSA-N 1 2 301.350 2.793 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCc2c([nH+]cn2C)C1 ZINC000371492713 150055609 /nfs/dbraw/zinc/05/56/09/150055609.db2.gz IJCFGACVABPNRE-GFCCVEGCSA-N 1 2 300.362 2.756 20 5 DFBDLO CC(C)OC[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000372117620 150138939 /nfs/dbraw/zinc/13/89/39/150138939.db2.gz VHPGOTVZHLVGNE-YERXGYGTSA-N 1 2 320.389 2.734 20 5 DFBDLO CC(C)OC[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000372117620 150138943 /nfs/dbraw/zinc/13/89/43/150138943.db2.gz VHPGOTVZHLVGNE-YERXGYGTSA-N 1 2 320.389 2.734 20 5 DFBDLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1ccccc1[N+](=O)[O-] ZINC000372994127 150214014 /nfs/dbraw/zinc/21/40/14/150214014.db2.gz APIXINPUHVBIIS-UHFFFAOYSA-N 1 2 300.362 2.760 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000373758386 150253323 /nfs/dbraw/zinc/25/33/23/150253323.db2.gz DPKVILXRRRXXTP-CYBMUJFWSA-N 1 2 302.334 2.664 20 5 DFBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]2c2ncc[nH]2)c1 ZINC000375006933 150383015 /nfs/dbraw/zinc/38/30/15/150383015.db2.gz XDDVGPIUHVBUPY-CQSZACIVSA-N 1 2 302.334 2.534 20 5 DFBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H]2c2ncc[nH]2)c1 ZINC000375006933 150383018 /nfs/dbraw/zinc/38/30/18/150383018.db2.gz XDDVGPIUHVBUPY-CQSZACIVSA-N 1 2 302.334 2.534 20 5 DFBDLO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCC1(F)F ZINC000351993305 286263951 /nfs/dbraw/zinc/26/39/51/286263951.db2.gz IAYPBTSQQVNGCG-SECBINFHSA-N 1 2 310.304 2.948 20 5 DFBDLO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCC1(F)F ZINC000351993305 286263952 /nfs/dbraw/zinc/26/39/52/286263952.db2.gz IAYPBTSQQVNGCG-SECBINFHSA-N 1 2 310.304 2.948 20 5 DFBDLO COc1cc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000352767233 286461621 /nfs/dbraw/zinc/46/16/21/286461621.db2.gz FKQSVQYBUPWJEU-CYBMUJFWSA-N 1 2 302.334 2.664 20 5 DFBDLO Cn1cc[nH+]c1[C@@H](NCc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000353449209 286647641 /nfs/dbraw/zinc/64/76/41/286647641.db2.gz PZEGLBVNZOYDGJ-HNNXBMFYSA-N 1 2 312.329 2.801 20 5 DFBDLO CCc1c[nH+]ccc1NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000358289038 158367821 /nfs/dbraw/zinc/36/78/21/158367821.db2.gz QEHSFXQVFFMNMM-UHFFFAOYSA-N 1 2 324.340 2.568 20 5 DFBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493646882 299804169 /nfs/dbraw/zinc/80/41/69/299804169.db2.gz QKMRDUKSLSULKY-FPLPWBNLSA-N 1 2 314.345 2.768 20 5 DFBDLO C[C@@H]1C[C@H](NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000493720612 299816448 /nfs/dbraw/zinc/81/64/48/299816448.db2.gz JWOUWFNLCUQFEW-WVPKPSDHSA-N 1 2 312.329 2.627 20 5 DFBDLO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1nnc2n1CCCC2 ZINC000359953403 287051806 /nfs/dbraw/zinc/05/18/06/287051806.db2.gz WSVKMHKQNFFALN-NWDGAFQWSA-N 1 2 315.377 2.934 20 5 DFBDLO C[C@H](Nc1c(Cl)cccc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000432308880 296870815 /nfs/dbraw/zinc/87/08/15/296870815.db2.gz UZQFNHYTDZOLSL-QWRGUYRKSA-N 1 2 313.785 2.769 20 5 DFBDLO Cc1ccc(C(=O)NCc2[nH+]ccn2CC(C)C)cc1[N+](=O)[O-] ZINC000131160973 196145895 /nfs/dbraw/zinc/14/58/95/196145895.db2.gz VUCALKGGPHUPDF-UHFFFAOYSA-N 1 2 316.361 2.686 20 5 DFBDLO COc1cc(C[N@@H+]2CCS[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000131361979 196162098 /nfs/dbraw/zinc/16/20/98/196162098.db2.gz LNIZRXADGNFWJU-SNVBAGLBSA-N 1 2 312.391 2.549 20 5 DFBDLO COc1cc(C[N@H+]2CCS[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000131361979 196162100 /nfs/dbraw/zinc/16/21/00/196162100.db2.gz LNIZRXADGNFWJU-SNVBAGLBSA-N 1 2 312.391 2.549 20 5 DFBDLO Cc1cc(N[C@@H]2CCO[C@H]2C)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301867911 229948515 /nfs/dbraw/zinc/94/85/15/229948515.db2.gz DUOYMOFXPNTDHZ-SMDDNHRTSA-N 1 2 314.345 2.950 20 5 DFBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@H](C)C[NH+]1CCOCC1 ZINC000302680382 230348026 /nfs/dbraw/zinc/34/80/26/230348026.db2.gz OTHDWGFDXFBMKC-LLVKDONJSA-N 1 2 313.785 2.689 20 5 DFBDLO Cc1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c(C)[nH+]1 ZINC000176513149 267626279 /nfs/dbraw/zinc/62/62/79/267626279.db2.gz YFZROIXYWPNDLE-UHFFFAOYSA-N 1 2 311.301 2.735 20 5 DFBDLO Cc1cc(C(=O)NCCc2cn3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000012666429 425735238 /nfs/dbraw/zinc/73/52/38/425735238.db2.gz VVZLVDNAFPLFMO-UHFFFAOYSA-N 1 2 324.340 2.523 20 5 DFBDLO O=[N+]([O-])c1cc(F)ccc1NCc1cccnc1-n1cc[nH+]c1 ZINC000030587497 425831978 /nfs/dbraw/zinc/83/19/78/425831978.db2.gz IDRANEQBYQGMKQ-UHFFFAOYSA-N 1 2 313.292 2.927 20 5 DFBDLO CCC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599592 425865607 /nfs/dbraw/zinc/86/56/07/425865607.db2.gz QOVIRNIHPHAKKO-QWHCGFSZSA-N 1 2 307.394 2.720 20 5 DFBDLO CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599592 425865608 /nfs/dbraw/zinc/86/56/08/425865608.db2.gz QOVIRNIHPHAKKO-QWHCGFSZSA-N 1 2 307.394 2.720 20 5 DFBDLO CC[C@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599046 425865620 /nfs/dbraw/zinc/86/56/20/425865620.db2.gz NUEQVFJTKAMUPH-HNNXBMFYSA-N 1 2 319.405 2.818 20 5 DFBDLO CC[C@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599046 425865621 /nfs/dbraw/zinc/86/56/21/425865621.db2.gz NUEQVFJTKAMUPH-HNNXBMFYSA-N 1 2 319.405 2.818 20 5 DFBDLO CCCN1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1=O ZINC000276383869 268261391 /nfs/dbraw/zinc/26/13/91/268261391.db2.gz LUMAVMMVWFZUGZ-ZDUSSCGKSA-N 1 2 305.378 2.600 20 5 DFBDLO CCCN1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1=O ZINC000276383869 268261395 /nfs/dbraw/zinc/26/13/95/268261395.db2.gz LUMAVMMVWFZUGZ-ZDUSSCGKSA-N 1 2 305.378 2.600 20 5 DFBDLO Cc1cnc(N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC000296379544 268304479 /nfs/dbraw/zinc/30/44/79/268304479.db2.gz TYBJJCDWPOLYMM-LBPRGKRZSA-N 1 2 301.350 2.619 20 5 DFBDLO CC[C@H](NC(=O)/C=C\c1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000317429258 268344978 /nfs/dbraw/zinc/34/49/78/268344978.db2.gz WCOXHURISUZWTR-FWWRYZNZSA-N 1 2 300.318 2.599 20 5 DFBDLO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000124790124 425938527 /nfs/dbraw/zinc/93/85/27/425938527.db2.gz RVEVUENUIVLCOY-CQSZACIVSA-N 1 2 306.362 2.856 20 5 DFBDLO COC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000124790124 425938530 /nfs/dbraw/zinc/93/85/30/425938530.db2.gz RVEVUENUIVLCOY-CQSZACIVSA-N 1 2 306.362 2.856 20 5 DFBDLO C[C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000125847117 425994112 /nfs/dbraw/zinc/99/41/12/425994112.db2.gz TWUCVPDTUUGEGM-SWLSCSKDSA-N 1 2 314.345 2.515 20 5 DFBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1cn2ccccc2[nH+]1 ZINC000070754390 425976061 /nfs/dbraw/zinc/97/60/61/425976061.db2.gz NJSHUJWUDASBMW-RMKNXTFCSA-N 1 2 322.324 2.572 20 5 DFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000126818060 426037494 /nfs/dbraw/zinc/03/74/94/426037494.db2.gz YGPSEFGCAGZAON-KRWDZBQOSA-N 1 2 314.341 2.874 20 5 DFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000126818060 426037498 /nfs/dbraw/zinc/03/74/98/426037498.db2.gz YGPSEFGCAGZAON-KRWDZBQOSA-N 1 2 314.341 2.874 20 5 DFBDLO CCOC(=O)[C@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000071952841 426006475 /nfs/dbraw/zinc/00/64/75/426006475.db2.gz LKZRCHVNSAVQKD-OAHLLOKOSA-N 1 2 306.362 2.555 20 5 DFBDLO CCOC(=O)[C@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000071952841 426006476 /nfs/dbraw/zinc/00/64/76/426006476.db2.gz LKZRCHVNSAVQKD-OAHLLOKOSA-N 1 2 306.362 2.555 20 5 DFBDLO Cc1ccnc(N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000166110938 426125671 /nfs/dbraw/zinc/12/56/71/426125671.db2.gz GNTYOSCVPGZCNP-UHFFFAOYSA-N 1 2 312.373 2.620 20 5 DFBDLO Cc1cc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc[nH+]1 ZINC000112496101 426080354 /nfs/dbraw/zinc/08/03/54/426080354.db2.gz NXLQGYPWPVRSLP-UHFFFAOYSA-N 1 2 321.358 2.716 20 5 DFBDLO CNc1ccc(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)c[nH+]1 ZINC000170639716 426141870 /nfs/dbraw/zinc/14/18/70/426141870.db2.gz YGAHBFBESUWUME-UHFFFAOYSA-N 1 2 313.317 2.660 20 5 DFBDLO Cc1c(C(=O)NCCCNc2cccc[nH+]2)cccc1[N+](=O)[O-] ZINC000115161167 426155723 /nfs/dbraw/zinc/15/57/23/426155723.db2.gz XROKGSVOQVLWFO-UHFFFAOYSA-N 1 2 314.345 2.530 20 5 DFBDLO CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605390 426277377 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CCOC(=O)[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000154980836 426460795 /nfs/dbraw/zinc/46/07/95/426460795.db2.gz JINJZQUJDANOJV-NSHDSACASA-N 1 2 310.325 2.509 20 5 DFBDLO CCOC(=O)[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000154980836 426460798 /nfs/dbraw/zinc/46/07/98/426460798.db2.gz JINJZQUJDANOJV-NSHDSACASA-N 1 2 310.325 2.509 20 5 DFBDLO CCOC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000177299391 426465507 /nfs/dbraw/zinc/46/55/07/426465507.db2.gz SXYYAXGZDWRPQQ-UHFFFAOYSA-N 1 2 306.362 2.903 20 5 DFBDLO CCOC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000177299391 426465511 /nfs/dbraw/zinc/46/55/11/426465511.db2.gz SXYYAXGZDWRPQQ-UHFFFAOYSA-N 1 2 306.362 2.903 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000101862009 426486570 /nfs/dbraw/zinc/48/65/70/426486570.db2.gz PSZBEOKUONBFNO-UHFFFAOYSA-N 1 2 314.345 2.577 20 5 DFBDLO COC(=O)[C@]1(F)CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000272388882 426513814 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5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cn2ccccc2n1 ZINC000180379844 426856850 /nfs/dbraw/zinc/85/68/50/426856850.db2.gz DEQOXBBQKGPYBN-UHFFFAOYSA-N 1 2 312.329 2.541 20 5 DFBDLO COc1cc(NCc2cn3c([nH+]2)CCCC3)c([N+](=O)[O-])cc1F ZINC000268127153 426923086 /nfs/dbraw/zinc/92/30/86/426923086.db2.gz DKENIMJBFLXRGQ-UHFFFAOYSA-N 1 2 320.324 2.887 20 5 DFBDLO COc1ccc(C[NH2+][C@H]2C[C@@H](C)n3ccnc32)cc1[N+](=O)[O-] ZINC000295245423 426875073 /nfs/dbraw/zinc/87/50/73/426875073.db2.gz PPRWOZLTQFNMIV-PWSUYJOCSA-N 1 2 302.334 2.596 20 5 DFBDLO CCCc1noc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282424009 426910610 /nfs/dbraw/zinc/91/06/10/426910610.db2.gz JNXPLPFDSIOBHN-UHFFFAOYSA-N 1 2 304.350 2.605 20 5 DFBDLO CCCc1noc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282424009 426910613 /nfs/dbraw/zinc/91/06/13/426910613.db2.gz JNXPLPFDSIOBHN-UHFFFAOYSA-N 1 2 304.350 2.605 20 5 DFBDLO CCOC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C(C)(C)C ZINC000283235045 426982260 /nfs/dbraw/zinc/98/22/60/426982260.db2.gz UKBWRCWLGYWYKB-UHFFFAOYSA-N 1 2 312.341 2.898 20 5 DFBDLO CCOC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C(C)(C)C ZINC000283235045 426982267 /nfs/dbraw/zinc/98/22/67/426982267.db2.gz UKBWRCWLGYWYKB-UHFFFAOYSA-N 1 2 312.341 2.898 20 5 DFBDLO CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283349494 426999325 /nfs/dbraw/zinc/99/93/25/426999325.db2.gz BGIXBDRTEWDCFV-ZDUSSCGKSA-N 1 2 323.368 2.615 20 5 DFBDLO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283349494 426999329 /nfs/dbraw/zinc/99/93/29/426999329.db2.gz BGIXBDRTEWDCFV-ZDUSSCGKSA-N 1 2 323.368 2.615 20 5 DFBDLO Cc1nc(N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c(C)c(C)[nH+]1 ZINC000190249728 427053986 /nfs/dbraw/zinc/05/39/86/427053986.db2.gz JJMFOIFQWHPRJK-UHFFFAOYSA-N 1 2 314.345 2.578 20 5 DFBDLO COc1cc[nH+]c(CN(C)Cc2ccccc2[N+](=O)[O-])c1OC ZINC000190312295 427069143 /nfs/dbraw/zinc/06/91/43/427069143.db2.gz GECVUEUAGCEZBT-UHFFFAOYSA-N 1 2 317.345 2.639 20 5 DFBDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000276458056 427074728 /nfs/dbraw/zinc/07/47/28/427074728.db2.gz QHBBFLLGGRWQDX-XEGUGMAKSA-N 1 2 322.336 2.507 20 5 DFBDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000276458056 427074734 /nfs/dbraw/zinc/07/47/34/427074734.db2.gz QHBBFLLGGRWQDX-XEGUGMAKSA-N 1 2 322.336 2.507 20 5 DFBDLO O=[N+]([O-])c1cnc(NCc2ccccc2-n2cc[nH+]c2)s1 ZINC000190338846 427079308 /nfs/dbraw/zinc/07/93/08/427079308.db2.gz GKDXMHYPJKXGCX-UHFFFAOYSA-N 1 2 301.331 2.849 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000190560506 427137874 /nfs/dbraw/zinc/13/78/74/427137874.db2.gz DVORVXIHTXXGHS-UHFFFAOYSA-N 1 2 308.378 2.993 20 5 DFBDLO Cc1ccoc1C[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000292297774 427163285 /nfs/dbraw/zinc/16/32/85/427163285.db2.gz MNTPERZGOHXQKH-UHFFFAOYSA-N 1 2 317.345 2.591 20 5 DFBDLO Cc1ccoc1C[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000292297774 427163292 /nfs/dbraw/zinc/16/32/92/427163292.db2.gz MNTPERZGOHXQKH-UHFFFAOYSA-N 1 2 317.345 2.591 20 5 DFBDLO Cn1ccnc1[C@H]([NH2+]C1CC(F)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000277493452 427218533 /nfs/dbraw/zinc/21/85/33/427218533.db2.gz NMNMDLIIKCNBKG-CYBMUJFWSA-N 1 2 322.315 2.805 20 5 DFBDLO CO[C@@]1(C)CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285386144 427218988 /nfs/dbraw/zinc/21/89/88/427218988.db2.gz SJFHIQJIEQELCF-AWEZNQCLSA-N 1 2 300.305 2.874 20 5 DFBDLO CO[C@@]1(C)CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285386144 427218997 /nfs/dbraw/zinc/21/89/97/427218997.db2.gz SJFHIQJIEQELCF-AWEZNQCLSA-N 1 2 300.305 2.874 20 5 DFBDLO Cc1cc(=O)[nH]c([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000296536656 427212668 /nfs/dbraw/zinc/21/26/68/427212668.db2.gz DQKGCWNROSIBOU-WDEREUQCSA-N 1 2 302.334 2.811 20 5 DFBDLO CC(C)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1nncn1C ZINC000285462011 427237716 /nfs/dbraw/zinc/23/77/16/427237716.db2.gz UGNDMRVBAQPBLU-CYBMUJFWSA-N 1 2 323.784 2.864 20 5 DFBDLO Cc1noc([C@@H]2CCC[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000285514836 427255515 /nfs/dbraw/zinc/25/55/15/427255515.db2.gz DOEPQWSFRUDGLO-AWEZNQCLSA-N 1 2 318.333 2.502 20 5 DFBDLO Cc1noc([C@@H]2CCC[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000285514836 427255521 /nfs/dbraw/zinc/25/55/21/427255521.db2.gz DOEPQWSFRUDGLO-AWEZNQCLSA-N 1 2 318.333 2.502 20 5 DFBDLO COC[C@H]1CC[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000293438901 427326076 /nfs/dbraw/zinc/32/60/76/427326076.db2.gz BUFPNXXPNLYLGB-SNVBAGLBSA-N 1 2 315.167 2.578 20 5 DFBDLO COC[C@H]1CC[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000293438901 427326085 /nfs/dbraw/zinc/32/60/85/427326085.db2.gz BUFPNXXPNLYLGB-SNVBAGLBSA-N 1 2 315.167 2.578 20 5 DFBDLO CC(C)(C)n1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000191611041 427386675 /nfs/dbraw/zinc/38/66/75/427386675.db2.gz MYTHFYOJNYYJRV-UHFFFAOYSA-N 1 2 323.784 2.885 20 5 DFBDLO CCOc1ccc([C@H](C)[NH2+]Cc2nccn2C)cc1[N+](=O)[O-] ZINC000271060807 427391055 /nfs/dbraw/zinc/39/10/55/427391055.db2.gz BXTMIFIPACSVKT-NSHDSACASA-N 1 2 304.350 2.578 20 5 DFBDLO CCc1nnc(C2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)[nH]1 ZINC000191694185 427406174 /nfs/dbraw/zinc/40/61/74/427406174.db2.gz WSQVWCXFZKXLOP-UHFFFAOYSA-N 1 2 321.406 2.716 20 5 DFBDLO CCc1n[nH]c(C2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)n1 ZINC000191694185 427406179 /nfs/dbraw/zinc/40/61/79/427406179.db2.gz WSQVWCXFZKXLOP-UHFFFAOYSA-N 1 2 321.406 2.716 20 5 DFBDLO CCc1nc(C2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000191694185 427406184 /nfs/dbraw/zinc/40/61/84/427406184.db2.gz WSQVWCXFZKXLOP-UHFFFAOYSA-N 1 2 321.406 2.716 20 5 DFBDLO CCOc1cc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000331156276 427356336 /nfs/dbraw/zinc/35/63/36/427356336.db2.gz JSTRZOGTQQUOEN-LBPRGKRZSA-N 1 2 308.378 2.993 20 5 DFBDLO CCOc1cc(C[N@H+]2C[C@H](C)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000331156276 427356338 /nfs/dbraw/zinc/35/63/38/427356338.db2.gz JSTRZOGTQQUOEN-LBPRGKRZSA-N 1 2 308.378 2.993 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cs1 ZINC000277913262 427359656 /nfs/dbraw/zinc/35/96/56/427359656.db2.gz XMCAACJWYUMSGH-GXSJLCMTSA-N 1 2 324.324 2.792 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cs1 ZINC000277913262 427359662 /nfs/dbraw/zinc/35/96/62/427359662.db2.gz XMCAACJWYUMSGH-GXSJLCMTSA-N 1 2 324.324 2.792 20 5 DFBDLO Cc1cccc(N2CC[NH+](Cc3ccco3)CC2)c1[N+](=O)[O-] ZINC000338641558 427421868 /nfs/dbraw/zinc/42/18/68/427421868.db2.gz SKCSSWGGBJGLMF-UHFFFAOYSA-N 1 2 301.346 2.818 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@@H](C)[S@]1=O ZINC000286147028 427437336 /nfs/dbraw/zinc/43/73/36/427437336.db2.gz VTIQSBIYCDOUHH-HQHPYACNSA-N 1 2 310.419 2.635 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@@H](C)[S@]1=O ZINC000286147028 427437343 /nfs/dbraw/zinc/43/73/43/427437343.db2.gz VTIQSBIYCDOUHH-HQHPYACNSA-N 1 2 310.419 2.635 20 5 DFBDLO Cc1cc(C)c(NC(=O)COc2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000192830286 427617551 /nfs/dbraw/zinc/61/75/51/427617551.db2.gz PNWBAUAMSQPHAV-UHFFFAOYSA-N 1 2 315.329 2.933 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000332248318 427556767 /nfs/dbraw/zinc/55/67/67/427556767.db2.gz XLQGSJMIKMBBDG-NRFANRHFSA-N 1 2 310.419 2.636 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000332248318 427556775 /nfs/dbraw/zinc/55/67/75/427556775.db2.gz XLQGSJMIKMBBDG-NRFANRHFSA-N 1 2 310.419 2.636 20 5 DFBDLO CCn1nc(C)c([N+](=O)[O-])c1NCCCCNc1cccc[nH+]1 ZINC000192558165 427563110 /nfs/dbraw/zinc/56/31/10/427563110.db2.gz MWXVFYCIDWLNPI-UHFFFAOYSA-N 1 2 318.381 2.819 20 5 DFBDLO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCc1[nH]cc[nH+]1 ZINC000279148583 427576747 /nfs/dbraw/zinc/57/67/47/427576747.db2.gz GZRGLHSXTKYPCD-UHFFFAOYSA-N 1 2 322.752 2.563 20 5 DFBDLO CO[C@]1(C)C[C@H]([N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000339009970 427623296 /nfs/dbraw/zinc/62/32/96/427623296.db2.gz HKCIJVFREIIHLT-GOEBONIOSA-N 1 2 308.378 2.936 20 5 DFBDLO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000339009970 427623299 /nfs/dbraw/zinc/62/32/99/427623299.db2.gz HKCIJVFREIIHLT-GOEBONIOSA-N 1 2 308.378 2.936 20 5 DFBDLO Cc1cc(=O)[nH]c([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000192727822 427596061 /nfs/dbraw/zinc/59/60/61/427596061.db2.gz QZSNVCUAXSZMDZ-QWRGUYRKSA-N 1 2 302.334 2.811 20 5 DFBDLO Nc1ccc([N+](=O)[O-])c(N2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000192787481 427611674 /nfs/dbraw/zinc/61/16/74/427611674.db2.gz WXDWGVZCDVBHJK-GFCCVEGCSA-N 1 2 313.361 2.510 20 5 DFBDLO COc1cc(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000279332208 427642621 /nfs/dbraw/zinc/64/26/21/427642621.db2.gz OWMCXYIRXBATSE-HWPZZCPQSA-N 1 2 324.352 2.742 20 5 DFBDLO COc1cc(C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000279332208 427642626 /nfs/dbraw/zinc/64/26/26/427642626.db2.gz OWMCXYIRXBATSE-HWPZZCPQSA-N 1 2 324.352 2.742 20 5 DFBDLO O=[N+]([O-])c1ccc(Nc2ccc(N3CCOCC3)[nH+]c2)cc1 ZINC000192963920 427644674 /nfs/dbraw/zinc/64/46/74/427644674.db2.gz BKXKUNMQKIUMQX-UHFFFAOYSA-N 1 2 300.318 2.570 20 5 DFBDLO CCOc1cc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000279378115 427655633 /nfs/dbraw/zinc/65/56/33/427655633.db2.gz SLNOFFNVNFJGIN-SJCJKPOMSA-N 1 2 320.389 2.993 20 5 DFBDLO CCOc1cc(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000279378115 427655642 /nfs/dbraw/zinc/65/56/42/427655642.db2.gz SLNOFFNVNFJGIN-SJCJKPOMSA-N 1 2 320.389 2.993 20 5 DFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccoc1 ZINC000342629571 272032598 /nfs/dbraw/zinc/03/25/98/272032598.db2.gz HQSHJEBAUXQEFZ-LLVKDONJSA-N 1 2 303.318 2.647 20 5 DFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccoc1 ZINC000342629571 272032600 /nfs/dbraw/zinc/03/26/00/272032600.db2.gz HQSHJEBAUXQEFZ-LLVKDONJSA-N 1 2 303.318 2.647 20 5 DFBDLO CCc1ccc([C@H](COC)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])o1 ZINC000339082670 427666478 /nfs/dbraw/zinc/66/64/78/427666478.db2.gz BPIBDXLSQGZSFM-AWEZNQCLSA-N 1 2 320.345 2.933 20 5 DFBDLO Cc1nc2[nH]ccc2c(N(C)CCc2ccccc2[N+](=O)[O-])[nH+]1 ZINC000343226163 272099505 /nfs/dbraw/zinc/09/95/05/272099505.db2.gz UQSCVAXCGPIOLA-UHFFFAOYSA-N 1 2 311.345 2.853 20 5 DFBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1c[nH+]ccc1OC ZINC000343284590 272112755 /nfs/dbraw/zinc/11/27/55/272112755.db2.gz UBVCSNSOEXXJCY-UHFFFAOYSA-N 1 2 317.301 2.649 20 5 DFBDLO C[C@H]1CN2CCCC[C@H]2C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000343937641 272240369 /nfs/dbraw/zinc/24/03/69/272240369.db2.gz STBDTBIAPOMHEM-HOCLYGCPSA-N 1 2 319.405 2.532 20 5 DFBDLO C[C@H]1CN2CCCC[C@H]2C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000343937641 272240370 /nfs/dbraw/zinc/24/03/70/272240370.db2.gz STBDTBIAPOMHEM-HOCLYGCPSA-N 1 2 319.405 2.532 20 5 DFBDLO COc1cc[nH+]cc1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000344096179 272262792 /nfs/dbraw/zinc/26/27/92/272262792.db2.gz HQMDRGAJIOOIHX-UHFFFAOYSA-N 1 2 310.313 2.910 20 5 DFBDLO O=[N+]([O-])c1ccc(Cl)cc1NCC1([NH+]2CCOCC2)CC1 ZINC000287762688 427687759 /nfs/dbraw/zinc/68/77/59/427687759.db2.gz NHNBHHWOKZYBQJ-UHFFFAOYSA-N 1 2 311.769 2.525 20 5 DFBDLO CC/C=C/C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000295117528 427699136 /nfs/dbraw/zinc/69/91/36/427699136.db2.gz WXPRILCGIBHXKV-MBVDDHJVSA-N 1 2 300.362 2.974 20 5 DFBDLO COc1ccc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1[N+](=O)[O-] ZINC000193863923 427720768 /nfs/dbraw/zinc/72/07/68/427720768.db2.gz ZVNCWRMEBPJFKI-CYBMUJFWSA-N 1 2 316.361 2.706 20 5 DFBDLO COc1ccc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1[N+](=O)[O-] ZINC000193863923 427720772 /nfs/dbraw/zinc/72/07/72/427720772.db2.gz ZVNCWRMEBPJFKI-CYBMUJFWSA-N 1 2 316.361 2.706 20 5 DFBDLO CC[C@H](CO)Nc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301243151 427783944 /nfs/dbraw/zinc/78/39/44/427783944.db2.gz KLLZEFKHXZRCQQ-GFCCVEGCSA-N 1 2 302.334 2.543 20 5 DFBDLO Cc1cc(N[C@H](CO)C(C)C)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301517248 427801604 /nfs/dbraw/zinc/80/16/04/427801604.db2.gz CDEANIJJNJJVFP-CQSZACIVSA-N 1 2 316.361 2.789 20 5 DFBDLO CC(C)[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000339738690 427819859 /nfs/dbraw/zinc/81/98/59/427819859.db2.gz VLJYWLVGALJAID-OAHLLOKOSA-N 1 2 308.378 2.577 20 5 DFBDLO CCOc1cc(C[N@H+](CC(=O)OC)[C@@H](C)CC)ccc1[N+](=O)[O-] ZINC000337257541 427825807 /nfs/dbraw/zinc/82/58/07/427825807.db2.gz UKQKWPZBGXJTBT-LBPRGKRZSA-N 1 2 324.377 2.767 20 5 DFBDLO CCOc1cc(C[N@@H+](CC(=O)OC)[C@@H](C)CC)ccc1[N+](=O)[O-] ZINC000337257541 427825809 /nfs/dbraw/zinc/82/58/09/427825809.db2.gz UKQKWPZBGXJTBT-LBPRGKRZSA-N 1 2 324.377 2.767 20 5 DFBDLO Cc1cc(N[C@H]2CCO[C@@H]2C)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301867909 427832196 /nfs/dbraw/zinc/83/21/96/427832196.db2.gz DUOYMOFXPNTDHZ-RISCZKNCSA-N 1 2 314.345 2.950 20 5 DFBDLO CC(C)C[C@@H](CNc1sccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000301929238 427841487 /nfs/dbraw/zinc/84/14/87/427841487.db2.gz JIHWDBKJFBSSQM-LBPRGKRZSA-N 1 2 313.423 2.815 20 5 DFBDLO O=[N+]([O-])c1ccsc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000301935798 427843681 /nfs/dbraw/zinc/84/36/81/427843681.db2.gz POFMQGJKQAYJJP-UHFFFAOYSA-N 1 2 319.386 2.684 20 5 DFBDLO O=[N+]([O-])c1ccccc1-c1nc(Cc2cn3ccccc3[nH+]2)no1 ZINC000355748115 427872327 /nfs/dbraw/zinc/87/23/27/427872327.db2.gz INJVHYCRKUUEEB-UHFFFAOYSA-N 1 2 321.296 2.883 20 5 DFBDLO Cc1ccccc1OCCC[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355801020 427901465 /nfs/dbraw/zinc/90/14/65/427901465.db2.gz MFSBLJDMUHDTSP-UHFFFAOYSA-N 1 2 318.377 2.538 20 5 DFBDLO Cc1ccccc1OCCC[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355801020 427901469 /nfs/dbraw/zinc/90/14/69/427901469.db2.gz MFSBLJDMUHDTSP-UHFFFAOYSA-N 1 2 318.377 2.538 20 5 DFBDLO Cn1ccc(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000345845512 427928080 /nfs/dbraw/zinc/92/80/80/427928080.db2.gz ZSWNPBFOPTUWOK-UHFFFAOYSA-N 1 2 312.329 2.878 20 5 DFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1CC[C@@H](F)C1 ZINC000340916376 427951429 /nfs/dbraw/zinc/95/14/29/427951429.db2.gz PDNGLKAQBOWDGV-ZIAGYGMSSA-N 1 2 323.368 2.730 20 5 DFBDLO CC[C@H](NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000359807569 428026999 /nfs/dbraw/zinc/02/69/99/428026999.db2.gz RIWRDVMTXASNIQ-NSHDSACASA-N 1 2 318.333 2.516 20 5 DFBDLO COc1cc([C@@H](C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])ccn1 ZINC000347548112 272800054 /nfs/dbraw/zinc/80/00/54/272800054.db2.gz ZBEJTZRMXNQELN-SNVBAGLBSA-N 1 2 305.309 2.988 20 5 DFBDLO O=[N+]([O-])c1ccc2ccnc(N[C@H]3CCc4[nH]c[nH+]c4C3)c2c1 ZINC000413317792 428019333 /nfs/dbraw/zinc/01/93/33/428019333.db2.gz ZITWZUPYTDKCMH-NSHDSACASA-N 1 2 309.329 2.836 20 5 DFBDLO O=[N+]([O-])c1ccc2ccnc(N[C@H]3CCc4[nH+]c[nH]c4C3)c2c1 ZINC000413317792 428019340 /nfs/dbraw/zinc/01/93/40/428019340.db2.gz ZITWZUPYTDKCMH-NSHDSACASA-N 1 2 309.329 2.836 20 5 DFBDLO Cc1cc(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)ccc1[N+](=O)[O-] ZINC000341721658 428169549 /nfs/dbraw/zinc/16/95/49/428169549.db2.gz TYZJNMZMIXRPGS-AWEZNQCLSA-N 1 2 314.345 2.518 20 5 DFBDLO CC(C)c1ccc(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000352872439 428290245 /nfs/dbraw/zinc/29/02/45/428290245.db2.gz DOEOOBOVRIDWOS-CQSZACIVSA-N 1 2 317.389 2.525 20 5 DFBDLO CC(C)c1ccc(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000352872439 428290248 /nfs/dbraw/zinc/29/02/48/428290248.db2.gz DOEOOBOVRIDWOS-CQSZACIVSA-N 1 2 317.389 2.525 20 5 DFBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c[nH+]c[nH]1 ZINC000356605118 428250303 /nfs/dbraw/zinc/25/03/03/428250303.db2.gz XSDZCVDHRKLPDB-UHFFFAOYSA-N 1 2 320.374 2.750 20 5 DFBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c[nH]c[nH+]1 ZINC000356605118 428250309 /nfs/dbraw/zinc/25/03/09/428250309.db2.gz XSDZCVDHRKLPDB-UHFFFAOYSA-N 1 2 320.374 2.750 20 5 DFBDLO COC(=O)[C@@H](CC1CC1)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414487798 428314220 /nfs/dbraw/zinc/31/42/20/428314220.db2.gz LEJKPBOLHJGKEO-SWLSCSKDSA-N 1 2 320.389 2.847 20 5 DFBDLO Cc1ccc2[nH+]c(CNC(=O)c3csc([N+](=O)[O-])c3)cn2c1 ZINC000342149672 428322465 /nfs/dbraw/zinc/32/24/65/428322465.db2.gz GFNMDARZXPTJQH-UHFFFAOYSA-N 1 2 316.342 2.542 20 5 DFBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1c[nH+]c[nH]1 ZINC000342101910 428301475 /nfs/dbraw/zinc/30/14/75/428301475.db2.gz XWFIMCDIRSZVHZ-UHFFFAOYSA-N 1 2 320.374 2.748 20 5 DFBDLO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1c[nH]c[nH+]1 ZINC000342101910 428301478 /nfs/dbraw/zinc/30/14/78/428301478.db2.gz XWFIMCDIRSZVHZ-UHFFFAOYSA-N 1 2 320.374 2.748 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@H](COC(F)F)C2)c(F)c1 ZINC000353030051 428361597 /nfs/dbraw/zinc/36/15/97/428361597.db2.gz RNNLUCWRXUEQDY-MRVPVSSYSA-N 1 2 322.258 2.934 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@@H](COC(F)F)C2)c(F)c1 ZINC000353030051 428361601 /nfs/dbraw/zinc/36/16/01/428361601.db2.gz RNNLUCWRXUEQDY-MRVPVSSYSA-N 1 2 322.258 2.934 20 5 DFBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@](C)(F)C2)cccc1[N+](=O)[O-] ZINC000347343824 428557709 /nfs/dbraw/zinc/55/77/09/428557709.db2.gz HKGGUBMDEWEINX-XHDPSFHLSA-N 1 2 309.341 2.664 20 5 DFBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@](C)(F)C2)cccc1[N+](=O)[O-] ZINC000347343824 428557713 /nfs/dbraw/zinc/55/77/13/428557713.db2.gz HKGGUBMDEWEINX-XHDPSFHLSA-N 1 2 309.341 2.664 20 5 DFBDLO Cn1cc[nH+]c1[C@@H](NCc1ccoc1)c1cccc([N+](=O)[O-])c1 ZINC000353489925 428561369 /nfs/dbraw/zinc/56/13/69/428561369.db2.gz CRCZKKXEKBTXAY-HNNXBMFYSA-N 1 2 312.329 2.801 20 5 DFBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3ccc(Cl)cn3)C2)c1 ZINC000373583907 428610894 /nfs/dbraw/zinc/61/08/94/428610894.db2.gz RMUGYBZUZIBNQC-ZDUSSCGKSA-N 1 2 321.768 2.677 20 5 DFBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3ccc(Cl)cn3)C2)c1 ZINC000373583907 428610899 /nfs/dbraw/zinc/61/08/99/428610899.db2.gz RMUGYBZUZIBNQC-ZDUSSCGKSA-N 1 2 321.768 2.677 20 5 DFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1[nH]c[nH+]c1C ZINC000344039700 428618738 /nfs/dbraw/zinc/61/87/38/428618738.db2.gz RGFOQWOZXUCXOT-UHFFFAOYSA-N 1 2 320.374 2.668 20 5 DFBDLO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C12CCC2 ZINC000344470038 428656055 /nfs/dbraw/zinc/65/60/55/428656055.db2.gz VYVUACAYOBVENY-LSDHHAIUSA-N 1 2 306.362 2.738 20 5 DFBDLO COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc3[nH+]ccn32)c1 ZINC000358781764 428674219 /nfs/dbraw/zinc/67/42/19/428674219.db2.gz PYMDHYBTRMNUPX-UHFFFAOYSA-N 1 2 312.285 2.503 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000358784935 428674457 /nfs/dbraw/zinc/67/44/57/428674457.db2.gz UUZQAHKAJMEYFN-UHFFFAOYSA-N 1 2 324.340 2.789 20 5 DFBDLO Cc1[nH]c2ccc(Cn3cc([N+](=O)[O-])cc(Cl)c3=O)cc2[nH+]1 ZINC000358861171 428707737 /nfs/dbraw/zinc/70/77/37/428707737.db2.gz MZBQTRQPSYWGNS-UHFFFAOYSA-N 1 2 318.720 2.643 20 5 DFBDLO Cc1[nH]c2cc(Cn3cc([N+](=O)[O-])cc(Cl)c3=O)ccc2[nH+]1 ZINC000358861171 428707742 /nfs/dbraw/zinc/70/77/42/428707742.db2.gz MZBQTRQPSYWGNS-UHFFFAOYSA-N 1 2 318.720 2.643 20 5 DFBDLO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000374848803 428762351 /nfs/dbraw/zinc/76/23/51/428762351.db2.gz YHCITIFBCNZXQG-GFCCVEGCSA-N 1 2 301.306 2.687 20 5 DFBDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)[C@@H]2C1 ZINC000374858075 428766340 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CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@H](C)C(=O)OCC ZINC000411645248 428831579 /nfs/dbraw/zinc/83/15/79/428831579.db2.gz IFVMGBMQDAQKRC-GFCCVEGCSA-N 1 2 324.377 2.767 20 5 DFBDLO COc1ccc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000411877710 428875707 /nfs/dbraw/zinc/87/57/07/428875707.db2.gz RQRINMUFAYZOKL-MRXNPFEDSA-N 1 2 306.362 2.604 20 5 DFBDLO COc1ccc(C[N@H+]2CCO[C@@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000411877710 428875715 /nfs/dbraw/zinc/87/57/15/428875715.db2.gz RQRINMUFAYZOKL-MRXNPFEDSA-N 1 2 306.362 2.604 20 5 DFBDLO Cc1nnc([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)[nH]1 ZINC000412042037 428921799 /nfs/dbraw/zinc/92/17/99/428921799.db2.gz NRAUXEXYSRBJBD-LLVKDONJSA-N 1 2 321.768 2.664 20 5 DFBDLO Cc1nnc([C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)[nH]1 ZINC000412042037 428921803 /nfs/dbraw/zinc/92/18/03/428921803.db2.gz NRAUXEXYSRBJBD-LLVKDONJSA-N 1 2 321.768 2.664 20 5 DFBDLO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000412042037 428921805 /nfs/dbraw/zinc/92/18/05/428921805.db2.gz NRAUXEXYSRBJBD-LLVKDONJSA-N 1 2 321.768 2.664 20 5 DFBDLO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC000412042037 428921809 /nfs/dbraw/zinc/92/18/09/428921809.db2.gz NRAUXEXYSRBJBD-LLVKDONJSA-N 1 2 321.768 2.664 20 5 DFBDLO Cc1nc([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000412042037 428921812 /nfs/dbraw/zinc/92/18/12/428921812.db2.gz NRAUXEXYSRBJBD-LLVKDONJSA-N 1 2 321.768 2.664 20 5 DFBDLO Cc1nc([C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000412042037 428921816 /nfs/dbraw/zinc/92/18/16/428921816.db2.gz NRAUXEXYSRBJBD-LLVKDONJSA-N 1 2 321.768 2.664 20 5 DFBDLO COc1cc[nH+]c(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)c1 ZINC000349158854 428932305 /nfs/dbraw/zinc/93/23/05/428932305.db2.gz KMNYFZHNAFVMFX-UHFFFAOYSA-N 1 2 310.313 2.910 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452332280 429095105 /nfs/dbraw/zinc/09/51/05/429095105.db2.gz GTFMNTKFAREQEK-UHFFFAOYSA-N 1 2 300.318 2.688 20 5 DFBDLO Cc1cc(C(=O)Nc2c[nH+]c3n2CCCC3)cc([N+](=O)[O-])c1 ZINC000452330833 429096144 /nfs/dbraw/zinc/09/61/44/429096144.db2.gz BJGOCGJQGHBRBX-UHFFFAOYSA-N 1 2 300.318 2.688 20 5 DFBDLO CSC[C@](C)(O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413156827 429151934 /nfs/dbraw/zinc/15/19/34/429151934.db2.gz SMKCMHUCWKXPAL-CQSZACIVSA-N 1 2 307.375 2.669 20 5 DFBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)(F)F ZINC000452462851 429117425 /nfs/dbraw/zinc/11/74/25/429117425.db2.gz XPDMQEKFWULCLR-VIFPVBQESA-N 1 2 324.287 2.554 20 5 DFBDLO Cc1nc([C@@H]2CCC[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)no1 ZINC000364019891 429158621 /nfs/dbraw/zinc/15/86/21/429158621.db2.gz MYSNDKWQJANPMP-AWEZNQCLSA-N 1 2 318.333 2.502 20 5 DFBDLO Cc1nc([C@@H]2CCC[N@H+]2CCOc2cccc([N+](=O)[O-])c2)no1 ZINC000364019891 429158625 /nfs/dbraw/zinc/15/86/25/429158625.db2.gz MYSNDKWQJANPMP-AWEZNQCLSA-N 1 2 318.333 2.502 20 5 DFBDLO Cc1cc(N2CC[C@@H](c3nc[nH]n3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000425286873 429257973 /nfs/dbraw/zinc/25/79/73/429257973.db2.gz RFIZJSQINMBZKG-LLVKDONJSA-N 1 2 324.344 2.563 20 5 DFBDLO CC(C)n1c[nH+]cc1CN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000425343096 429268990 /nfs/dbraw/zinc/26/89/90/429268990.db2.gz BTZLZMXZEZKLFB-UHFFFAOYSA-N 1 2 316.361 2.767 20 5 DFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000456369689 429290004 /nfs/dbraw/zinc/29/00/04/429290004.db2.gz YAERBPHGHDZHTO-LBPRGKRZSA-N 1 2 316.361 2.540 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457291985 429439463 /nfs/dbraw/zinc/43/94/63/429439463.db2.gz NPCHLKKZCGPIEW-UHFFFAOYSA-N 1 2 320.374 2.674 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000449458717 429424921 /nfs/dbraw/zinc/42/49/21/429424921.db2.gz WNTQICANSCSXJP-USXIJHARSA-N 1 2 320.389 2.816 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000449458717 429424924 /nfs/dbraw/zinc/42/49/24/429424924.db2.gz WNTQICANSCSXJP-USXIJHARSA-N 1 2 320.389 2.816 20 5 DFBDLO COC(=O)[C@@]1(C)CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000428485423 429530495 /nfs/dbraw/zinc/53/04/95/429530495.db2.gz VSRHBOUFXBWSIE-KQQSKNTNSA-N 1 2 304.346 2.636 20 5 DFBDLO COC(=O)[C@@]1(C)CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000428485423 429530497 /nfs/dbraw/zinc/53/04/97/429530497.db2.gz VSRHBOUFXBWSIE-KQQSKNTNSA-N 1 2 304.346 2.636 20 5 DFBDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000492490754 429549902 /nfs/dbraw/zinc/54/99/02/429549902.db2.gz IOYFHZQKLLJCIB-QDZRJHCZSA-N 1 2 314.345 2.702 20 5 DFBDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000492495115 429551236 /nfs/dbraw/zinc/55/12/36/429551236.db2.gz VEPXRCJVBKCWEA-ONEGZZNKSA-N 1 2 322.271 2.741 20 5 DFBDLO Cc1nnc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])n1C1CC1 ZINC000429230912 429588699 /nfs/dbraw/zinc/58/86/99/429588699.db2.gz NCVIVMLQBLYCEQ-UHFFFAOYSA-N 1 2 315.377 2.855 20 5 DFBDLO C[C@@H]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000449921074 429539132 /nfs/dbraw/zinc/53/91/32/429539132.db2.gz DXVYGYPYMPPAHB-NEPJUHHUSA-N 1 2 314.345 2.651 20 5 DFBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@]2(CCCOC2)O1 ZINC000367222503 429600279 /nfs/dbraw/zinc/60/02/79/429600279.db2.gz BCVHHCZIQSYYIY-BLLLJJGKSA-N 1 2 324.352 2.504 20 5 DFBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@]2(CCCOC2)O1 ZINC000367222503 429600283 /nfs/dbraw/zinc/60/02/83/429600283.db2.gz BCVHHCZIQSYYIY-BLLLJJGKSA-N 1 2 324.352 2.504 20 5 DFBDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000493023040 429670537 /nfs/dbraw/zinc/67/05/37/429670537.db2.gz OWGIMDUBNITPPP-BCPZQOPPSA-N 1 2 314.345 2.702 20 5 DFBDLO C[C@H]1C[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)c2[nH+]ccn21 ZINC000450825264 429706111 /nfs/dbraw/zinc/70/61/11/429706111.db2.gz DZBIWIYTMOFPTC-GXSJLCMTSA-N 1 2 310.317 2.852 20 5 DFBDLO O=[N+]([O-])c1cccc(Cl)c1NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000367777063 429715698 /nfs/dbraw/zinc/71/56/98/429715698.db2.gz HLWWSNWXAKQABE-NSHDSACASA-N 1 2 311.769 2.523 20 5 DFBDLO O=[N+]([O-])c1cccc(Cl)c1NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000367777063 429715702 /nfs/dbraw/zinc/71/57/02/429715702.db2.gz HLWWSNWXAKQABE-NSHDSACASA-N 1 2 311.769 2.523 20 5 DFBDLO COc1cc[nH+]cc1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000431502927 429767408 /nfs/dbraw/zinc/76/74/08/429767408.db2.gz TVAMQRKCFQPASL-UHFFFAOYSA-N 1 2 310.313 3.159 20 5 DFBDLO C[C@]1(F)CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000451110626 429769403 /nfs/dbraw/zinc/76/94/03/429769403.db2.gz COVRYYMXGSARHZ-ZBFHGGJFSA-N 1 2 321.352 2.524 20 5 DFBDLO C[C@]1(F)CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000451110626 429769406 /nfs/dbraw/zinc/76/94/06/429769406.db2.gz COVRYYMXGSARHZ-ZBFHGGJFSA-N 1 2 321.352 2.524 20 5 DFBDLO CCn1ncnc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548425 429849433 /nfs/dbraw/zinc/84/94/33/429849433.db2.gz NAZYKKXHXUYHLL-AWEZNQCLSA-N 1 2 315.377 2.586 20 5 DFBDLO CCn1ncnc1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548425 429849437 /nfs/dbraw/zinc/84/94/37/429849437.db2.gz NAZYKKXHXUYHLL-AWEZNQCLSA-N 1 2 315.377 2.586 20 5 DFBDLO O=[N+]([O-])c1cnn([C@@H]2CCCN(c3cc[nH+]c4ccncc43)C2)c1 ZINC000369019141 429907268 /nfs/dbraw/zinc/90/72/68/429907268.db2.gz ODBOQBVEIXJLRU-GFCCVEGCSA-N 1 2 324.344 2.576 20 5 DFBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000573253784 429938498 /nfs/dbraw/zinc/93/84/98/429938498.db2.gz FCEMVOZNUMTQLA-NSHDSACASA-N 1 2 302.334 2.944 20 5 DFBDLO COc1cc[nH+]cc1NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000573893458 429991284 /nfs/dbraw/zinc/99/12/84/429991284.db2.gz SSJACADHWIFGRJ-JTQLQIEISA-N 1 2 301.302 2.741 20 5 DFBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H](OC(F)F)C3)nc2c1 ZINC000558863837 429992545 /nfs/dbraw/zinc/99/25/45/429992545.db2.gz GVWRMIVPPGPSOT-VIFPVBQESA-N 1 2 313.260 2.550 20 5 DFBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H](OC(F)F)C3)nc2c1 ZINC000558863837 429992548 /nfs/dbraw/zinc/99/25/48/429992548.db2.gz GVWRMIVPPGPSOT-VIFPVBQESA-N 1 2 313.260 2.550 20 5 DFBDLO CN(Cc1ccccc1[N+](=O)[O-])c1nc(N)c2ccccc2[nH+]1 ZINC000534272788 430159433 /nfs/dbraw/zinc/15/94/33/430159433.db2.gz CJXGXFHHJQKMCN-UHFFFAOYSA-N 1 2 309.329 2.757 20 5 DFBDLO CN(CCc1cccc([N+](=O)[O-])c1)c1nc(N)c2ccccc2[nH+]1 ZINC000579378354 430125930 /nfs/dbraw/zinc/12/59/30/430125930.db2.gz KJEGOLHLDDXTMD-UHFFFAOYSA-N 1 2 323.356 2.799 20 5 DFBDLO C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000563401119 430187561 /nfs/dbraw/zinc/18/75/61/430187561.db2.gz HQRPBIBONVSIAL-LLVKDONJSA-N 1 2 316.361 2.548 20 5 DFBDLO C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000563401119 430187568 /nfs/dbraw/zinc/18/75/68/430187568.db2.gz HQRPBIBONVSIAL-LLVKDONJSA-N 1 2 316.361 2.548 20 5 DFBDLO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000563401120 430186962 /nfs/dbraw/zinc/18/69/62/430186962.db2.gz HQRPBIBONVSIAL-NSHDSACASA-N 1 2 316.361 2.548 20 5 DFBDLO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000563401120 430186968 /nfs/dbraw/zinc/18/69/68/430186968.db2.gz HQRPBIBONVSIAL-NSHDSACASA-N 1 2 316.361 2.548 20 5 DFBDLO CCOC(=O)[C@H](CC(C)C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000542979721 430233739 /nfs/dbraw/zinc/23/37/39/430233739.db2.gz KPCMPSLVYCXTBZ-INIZCTEOSA-N 1 2 320.389 2.931 20 5 DFBDLO CCOC(=O)[C@H](CC(C)C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000542979721 430233742 /nfs/dbraw/zinc/23/37/42/430233742.db2.gz KPCMPSLVYCXTBZ-INIZCTEOSA-N 1 2 320.389 2.931 20 5 DFBDLO CC(C)C(C)(C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000569543655 430462275 /nfs/dbraw/zinc/46/22/75/430462275.db2.gz DGOVUADYICRLFD-UHFFFAOYSA-N 1 2 316.361 2.945 20 5 DFBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1cccc(O)c1 ZINC000569071275 430419861 /nfs/dbraw/zinc/41/98/61/430419861.db2.gz KBSIHKFZALSAOD-UHFFFAOYSA-N 1 2 312.329 2.809 20 5 DFBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1cccc(O)c1 ZINC000569071275 430419864 /nfs/dbraw/zinc/41/98/64/430419864.db2.gz KBSIHKFZALSAOD-UHFFFAOYSA-N 1 2 312.329 2.809 20 5 DFBDLO O=[N+]([O-])c1ccc(-c2ccc(NCC3CCOCC3)[nH+]c2)cc1 ZINC000600786728 430533764 /nfs/dbraw/zinc/53/37/64/430533764.db2.gz ROSJBXAJILFMFZ-UHFFFAOYSA-N 1 2 313.357 3.495 20 5 DFBDLO CC(C)(C)c1nc(NCCOc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000610515252 430565135 /nfs/dbraw/zinc/56/51/35/430565135.db2.gz NRDMKZVODNWTQB-UHFFFAOYSA-N 1 2 316.361 3.173 20 5 DFBDLO Cc1nc(N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000296322589 293292656 /nfs/dbraw/zinc/29/26/56/293292656.db2.gz OKMXNDBWDFBDFC-ZDUSSCGKSA-N 1 2 301.350 2.619 20 5 DFBDLO Cn1cc([C@H]2CCCC[N@@H+]2Cc2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000331946070 294295889 /nfs/dbraw/zinc/29/58/89/294295889.db2.gz SAEZHXZSZBXNTK-OAHLLOKOSA-N 1 2 316.361 2.761 20 5 DFBDLO Cn1cc([C@H]2CCCC[N@H+]2Cc2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000331946070 294295893 /nfs/dbraw/zinc/29/58/93/294295893.db2.gz SAEZHXZSZBXNTK-OAHLLOKOSA-N 1 2 316.361 2.761 20 5 DFBDLO Cc1ccsc1[C@@H](CO)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000494631706 299876427 /nfs/dbraw/zinc/87/64/27/299876427.db2.gz QPKDLCTWPBFLHA-GFCCVEGCSA-N 1 2 310.350 2.927 20 5 DFBDLO CO[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000411898384 295567170 /nfs/dbraw/zinc/56/71/70/295567170.db2.gz ZAYKCXVDBARMPO-WBVHZDCISA-N 1 2 314.341 2.702 20 5 DFBDLO CC(C)CO[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444649812 297243325 /nfs/dbraw/zinc/24/33/25/297243325.db2.gz NBEZDIICHNYDJR-CYBMUJFWSA-N 1 2 318.377 2.718 20 5 DFBDLO CC(C)CO[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444649812 297243327 /nfs/dbraw/zinc/24/33/27/297243327.db2.gz NBEZDIICHNYDJR-CYBMUJFWSA-N 1 2 318.377 2.718 20 5 DFBDLO CC(C)[C@@H]1OCCC[C@H]1C[NH+]=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000447678398 297312872 /nfs/dbraw/zinc/31/28/72/297312872.db2.gz ZMLJHRRHGFTZOO-NHYWBVRUSA-N 1 2 318.377 2.756 20 5 DFBDLO CC(C)CN(C)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447801930 297317356 /nfs/dbraw/zinc/31/73/56/297317356.db2.gz FUANVSKPYMGFBL-UHFFFAOYSA-N 1 2 307.394 2.519 20 5 DFBDLO CC1(C)C[C@H]1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447817449 297318526 /nfs/dbraw/zinc/31/85/26/297318526.db2.gz QCHFUDDEBIWESI-AWEZNQCLSA-N 1 2 319.405 2.885 20 5 DFBDLO Cc1cc(N2CC(C)(C)[C@@H]2c2[nH+]ccn2C)ncc1[N+](=O)[O-] ZINC000450638710 297660558 /nfs/dbraw/zinc/66/05/58/297660558.db2.gz CLWNNIRHHDGGCP-ZDUSSCGKSA-N 1 2 301.350 2.619 20 5 DFBDLO Cc1ccc([C@H](C)[NH2+]Cc2cn(CC3CC3)nn2)cc1[N+](=O)[O-] ZINC000450682280 297667728 /nfs/dbraw/zinc/66/77/28/297667728.db2.gz NNJVYJNACORUOK-LBPRGKRZSA-N 1 2 315.377 2.756 20 5 DFBDLO O=C(Nc1c[nH+]c2n1CCCC2)c1ccc([N+](=O)[O-])cc1F ZINC000452337197 297960634 /nfs/dbraw/zinc/96/06/34/297960634.db2.gz YWKIDDNUBOCJSI-UHFFFAOYSA-N 1 2 304.281 2.519 20 5 DFBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)(F)F ZINC000452455507 297979493 /nfs/dbraw/zinc/97/94/93/297979493.db2.gz GYAIILWIOWUEKC-SECBINFHSA-N 1 2 324.287 2.554 20 5 DFBDLO C[C@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)c2[nH+]ccn21 ZINC000454338073 298157799 /nfs/dbraw/zinc/15/77/99/298157799.db2.gz WJNOGPLDWRRHGR-UFBFGSQYSA-N 1 2 319.296 2.758 20 5 DFBDLO C[C@@H]1C[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456359844 298506464 /nfs/dbraw/zinc/50/64/64/298506464.db2.gz YIMWWKIPQYOLRP-KCJUWKMLSA-N 1 2 320.736 2.881 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c1 ZINC000456434577 298528888 /nfs/dbraw/zinc/52/88/88/298528888.db2.gz VAEMFEPHBAEPQS-ZYHUDNBSSA-N 1 2 300.318 2.536 20 5 DFBDLO CCCC[C@H](C(=O)OC)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511072990 300248668 /nfs/dbraw/zinc/24/86/68/300248668.db2.gz HTLVHNTUMHNOCF-OAHLLOKOSA-N 1 2 308.378 2.801 20 5 DFBDLO CCCC[C@H](C(=O)OC)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511072990 300248670 /nfs/dbraw/zinc/24/86/70/300248670.db2.gz HTLVHNTUMHNOCF-OAHLLOKOSA-N 1 2 308.378 2.801 20 5 DFBDLO Cc1cc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cn2cc[nH+]c12 ZINC000355399846 301362010 /nfs/dbraw/zinc/36/20/10/301362010.db2.gz FTEYZJULHFZUAU-UHFFFAOYSA-N 1 2 312.285 2.509 20 5 DFBDLO O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000540852100 301370904 /nfs/dbraw/zinc/37/09/04/301370904.db2.gz OBJYOKSCRCOECP-UHFFFAOYSA-N 1 2 322.324 2.915 20 5 DFBDLO COc1cc(NCCCCn2cc[nH+]c2)c([N+](=O)[O-])cc1F ZINC000540905922 301373601 /nfs/dbraw/zinc/37/36/01/301373601.db2.gz QAXIVTFFFWWWFK-UHFFFAOYSA-N 1 2 308.313 2.831 20 5 DFBDLO COc1ccc([N+](=O)[O-])c(OCc2cc(OC)cc(C)[nH+]2)c1 ZINC000564959416 302177021 /nfs/dbraw/zinc/17/70/21/302177021.db2.gz WKRUFEDOAPKIFM-UHFFFAOYSA-N 1 2 304.302 2.894 20 5 DFBDLO Cc1ccc(C[N@@H+]2CCO[C@@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000566247285 302270030 /nfs/dbraw/zinc/27/00/30/302270030.db2.gz KUMMUEGRYOGIET-HNNXBMFYSA-N 1 2 308.403 2.611 20 5 DFBDLO Cc1ccc(C[N@H+]2CCO[C@@]3(CCSC3)C2)cc1[N+](=O)[O-] ZINC000566247285 302270033 /nfs/dbraw/zinc/27/00/33/302270033.db2.gz KUMMUEGRYOGIET-HNNXBMFYSA-N 1 2 308.403 2.611 20 5 DFBDLO Cc1[nH+]c(C(C)C)ccc1Cn1cc([N+](=O)[O-])cc(F)c1=O ZINC000573564044 302710555 /nfs/dbraw/zinc/71/05/55/302710555.db2.gz MYBADAGIONPTLT-UHFFFAOYSA-N 1 2 305.309 2.771 20 5 DFBDLO COC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1C)C1CCCC1 ZINC000183373012 316140425 /nfs/dbraw/zinc/14/04/25/316140425.db2.gz QXSOLMBAPOASMX-UHFFFAOYSA-N 1 2 306.362 2.821 20 5 DFBDLO COC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)C1CCCC1 ZINC000183373012 316140431 /nfs/dbraw/zinc/14/04/31/316140431.db2.gz QXSOLMBAPOASMX-UHFFFAOYSA-N 1 2 306.362 2.821 20 5 DFBDLO C[C@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448916241 317028027 /nfs/dbraw/zinc/02/80/27/317028027.db2.gz GEZNAFRKEGRQJO-WCQYABFASA-N 1 2 314.345 2.699 20 5 DFBDLO C[C@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448916238 317028402 /nfs/dbraw/zinc/02/84/02/317028402.db2.gz GEZNAFRKEGRQJO-AAEUAGOBSA-N 1 2 314.345 2.699 20 5 DFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC12CCC2 ZINC000449988864 317053967 /nfs/dbraw/zinc/05/39/67/317053967.db2.gz SWBSDSGXRIMDLT-UHFFFAOYSA-N 1 2 312.329 2.549 20 5 DFBDLO O=[N+]([O-])c1ccc2[nH]c(Nc3ccc(N4CCCC4)[nH+]c3)nc2c1 ZINC000450246262 317075625 /nfs/dbraw/zinc/07/56/25/317075625.db2.gz UJBJVUGVQNMGNP-UHFFFAOYSA-N 1 2 324.344 2.632 20 5 DFBDLO Cn1cc[nH+]c1[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000450523913 317106598 /nfs/dbraw/zinc/10/65/98/317106598.db2.gz AIXFKHFHCCRGRG-ZDUSSCGKSA-N 1 2 312.333 2.768 20 5 DFBDLO COC[C@@H]1CCCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000452040063 317120795 /nfs/dbraw/zinc/12/07/95/317120795.db2.gz PNLMZCSMBAJUJN-JTQLQIEISA-N 1 2 300.305 2.874 20 5 DFBDLO COC[C@@H]1CCCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000452040063 317120797 /nfs/dbraw/zinc/12/07/97/317120797.db2.gz PNLMZCSMBAJUJN-JTQLQIEISA-N 1 2 300.305 2.874 20 5 DFBDLO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(F)F ZINC000452265306 317126904 /nfs/dbraw/zinc/12/69/04/317126904.db2.gz OQMDAXAQJGRITI-SNVBAGLBSA-N 1 2 324.287 2.554 20 5 DFBDLO CCOc1cc(C[NH2+][C@H](C)c2nc(C)no2)ccc1[N+](=O)[O-] ZINC000491608177 317587259 /nfs/dbraw/zinc/58/72/59/317587259.db2.gz VJRHGEDEKGSPGA-SECBINFHSA-N 1 2 306.322 2.536 20 5 DFBDLO C[C@@H](O)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000571768682 317990729 /nfs/dbraw/zinc/99/07/29/317990729.db2.gz ZAQJEWHAQNWXCY-BDJLRTHQSA-N 1 2 304.321 2.946 20 5 DFBDLO C[C@H](C(=O)Nc1c[nH+]c2n1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000578028316 318233711 /nfs/dbraw/zinc/23/37/11/318233711.db2.gz IGFWDIDTBQBQBJ-NSHDSACASA-N 1 2 314.345 2.870 20 5 DFBDLO Cn1cc(C(C)(C)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)cn1 ZINC000578458614 318262624 /nfs/dbraw/zinc/26/26/24/318262624.db2.gz PORFKODBSNQVCV-UHFFFAOYSA-N 1 2 310.304 2.631 20 5 DFBDLO Cn1cc[nH+]c1CN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000578633906 318274422 /nfs/dbraw/zinc/27/44/22/318274422.db2.gz CXUPAVVRRRJKRA-LBPRGKRZSA-N 1 2 314.267 2.722 20 5 DFBDLO Cc1ccc([C@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000578775563 318284873 /nfs/dbraw/zinc/28/48/73/318284873.db2.gz BYBJWSLPOOLSAT-OLZOCXBDSA-N 1 2 316.361 2.928 20 5 DFBDLO C[C@@H](Cn1cc[nH+]c1)Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000579466814 318332015 /nfs/dbraw/zinc/33/20/15/318332015.db2.gz QVCRYIBEBDHALH-NSHDSACASA-N 1 2 301.350 2.566 20 5 DFBDLO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000584528236 337356355 /nfs/dbraw/zinc/35/63/55/337356355.db2.gz IIMLWKRTQLLBIN-VXGBXAGGSA-N 1 2 307.350 2.537 20 5 DFBDLO COC(=O)C1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413027187 295669345 /nfs/dbraw/zinc/66/93/45/295669345.db2.gz YFFYJFNJQGUMNF-UHFFFAOYSA-N 1 2 315.329 2.532 20 5 DFBDLO CC[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000317609067 529599300 /nfs/dbraw/zinc/59/93/00/529599300.db2.gz RPLZKHMXYVAAMO-GFCCVEGCSA-N 1 2 320.374 2.678 20 5 DFBDLO COC[C@H](CCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)OC ZINC000596330902 398387868 /nfs/dbraw/zinc/38/78/68/398387868.db2.gz RRAJQHNYNQVENE-ZDUSSCGKSA-N 1 2 305.334 2.606 20 5 DFBDLO CC[C@@H](NC(=O)N(C)Cc1c[nH+]c[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000596456936 398417036 /nfs/dbraw/zinc/41/70/36/398417036.db2.gz VMRRUTGGVUGIHG-CQSZACIVSA-N 1 2 317.349 2.611 20 5 DFBDLO CC[C@@H](NC(=O)N(C)Cc1c[nH]c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000596456936 398417039 /nfs/dbraw/zinc/41/70/39/398417039.db2.gz VMRRUTGGVUGIHG-CQSZACIVSA-N 1 2 317.349 2.611 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000088698875 398439837 /nfs/dbraw/zinc/43/98/37/398439837.db2.gz RBDPOFFHPVOYMO-UHFFFAOYSA-N 1 2 312.373 2.620 20 5 DFBDLO Cc1c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000026366569 398452663 /nfs/dbraw/zinc/45/26/63/398452663.db2.gz GECQPZGFXOPXNW-GFCCVEGCSA-N 1 2 317.345 2.955 20 5 DFBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000026366569 398452667 /nfs/dbraw/zinc/45/26/67/398452667.db2.gz GECQPZGFXOPXNW-GFCCVEGCSA-N 1 2 317.345 2.955 20 5 DFBDLO O=[N+]([O-])c1cccnc1NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000029585250 398487950 /nfs/dbraw/zinc/48/79/50/398487950.db2.gz LYBIBVFADGITLA-UHFFFAOYSA-N 1 2 309.329 2.847 20 5 DFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCSC[C@H]1CCO ZINC000330997799 232306239 /nfs/dbraw/zinc/30/62/39/232306239.db2.gz VIIOSIAIQBWCCJ-GFCCVEGCSA-N 1 2 316.810 2.548 20 5 DFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCSC[C@H]1CCO ZINC000330997799 232306243 /nfs/dbraw/zinc/30/62/43/232306243.db2.gz VIIOSIAIQBWCCJ-GFCCVEGCSA-N 1 2 316.810 2.548 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000596787606 398501430 /nfs/dbraw/zinc/50/14/30/398501430.db2.gz DTJJISUAHYUVKA-UHFFFAOYSA-N 1 2 303.322 2.599 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000596787606 398501433 /nfs/dbraw/zinc/50/14/33/398501433.db2.gz DTJJISUAHYUVKA-UHFFFAOYSA-N 1 2 303.322 2.599 20 5 DFBDLO CC(C)(C)[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000279672003 215050109 /nfs/dbraw/zinc/05/01/09/215050109.db2.gz DNRALUHEKKTWGF-CQSZACIVSA-N 1 2 319.361 2.983 20 5 DFBDLO CC(C)(C)[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000279672003 215050112 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CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccoc1 ZINC000102408827 398677276 /nfs/dbraw/zinc/67/72/76/398677276.db2.gz ZIZMKMZHFAJYDW-UHFFFAOYSA-N 1 2 317.345 2.957 20 5 DFBDLO CC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccoc1 ZINC000102408827 398677281 /nfs/dbraw/zinc/67/72/81/398677281.db2.gz ZIZMKMZHFAJYDW-UHFFFAOYSA-N 1 2 317.345 2.957 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000597668790 398677415 /nfs/dbraw/zinc/67/74/15/398677415.db2.gz ZTHWPQNPHJGGQG-VXGBXAGGSA-N 1 2 314.345 2.687 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000173479008 198219562 /nfs/dbraw/zinc/21/95/62/198219562.db2.gz UQARLSPSUOCXIZ-NWDGAFQWSA-N 1 2 323.418 2.668 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCS[C@H](C)[C@@H]1C ZINC000173479008 198219564 /nfs/dbraw/zinc/21/95/64/198219564.db2.gz UQARLSPSUOCXIZ-NWDGAFQWSA-N 1 2 323.418 2.668 20 5 DFBDLO CN(Cc1c[nH+]c[nH]1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000597864410 398707375 /nfs/dbraw/zinc/70/73/75/398707375.db2.gz PVFBIURWOLJVPX-UHFFFAOYSA-N 1 2 316.361 2.888 20 5 DFBDLO CN(Cc1c[nH]c[nH+]1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000597864410 398707380 /nfs/dbraw/zinc/70/73/80/398707380.db2.gz PVFBIURWOLJVPX-UHFFFAOYSA-N 1 2 316.361 2.888 20 5 DFBDLO CCC(C)(C)NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130167245 283041398 /nfs/dbraw/zinc/04/13/98/283041398.db2.gz HJULPMZGYJYBJI-UHFFFAOYSA-N 1 2 319.405 2.864 20 5 DFBDLO CCC(C)(C)NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130167245 283041403 /nfs/dbraw/zinc/04/14/03/283041403.db2.gz HJULPMZGYJYBJI-UHFFFAOYSA-N 1 2 319.405 2.864 20 5 DFBDLO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000081569853 192293154 /nfs/dbraw/zinc/29/31/54/192293154.db2.gz FVUFNJIPXAKIIK-GFCCVEGCSA-N 1 2 324.377 2.636 20 5 DFBDLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000081569853 192293155 /nfs/dbraw/zinc/29/31/55/192293155.db2.gz FVUFNJIPXAKIIK-GFCCVEGCSA-N 1 2 324.377 2.636 20 5 DFBDLO CCOc1cc(C[N@@H+]2CCOC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000276934724 213186373 /nfs/dbraw/zinc/18/63/73/213186373.db2.gz RLZVJOOUBZPHAG-UHFFFAOYSA-N 1 2 306.362 2.748 20 5 DFBDLO CCOc1cc(C[N@H+]2CCOC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000276934724 213186377 /nfs/dbraw/zinc/18/63/77/213186377.db2.gz RLZVJOOUBZPHAG-UHFFFAOYSA-N 1 2 306.362 2.748 20 5 DFBDLO CC1(C)C[C@]1(C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000598387338 398804728 /nfs/dbraw/zinc/80/47/28/398804728.db2.gz YDYKUKGLAFEJSV-INIZCTEOSA-N 1 2 314.345 2.699 20 5 DFBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2[nH+]ccn2C)c1 ZINC000598460116 398816487 /nfs/dbraw/zinc/81/64/87/398816487.db2.gz QBIWQEUUPNVQFC-SECBINFHSA-N 1 2 320.374 2.541 20 5 DFBDLO O=[N+]([O-])c1ccc(NCc2cccc(Cn3cc[nH+]c3)c2)cn1 ZINC000076652581 398864184 /nfs/dbraw/zinc/86/41/84/398864184.db2.gz YEIZRHUCKKYGRD-UHFFFAOYSA-N 1 2 309.329 2.847 20 5 DFBDLO C[C@@H]([NH2+]Cc1nnc2n1CCCCC2)c1cccc([N+](=O)[O-])c1 ZINC000180556293 199176158 /nfs/dbraw/zinc/17/61/58/199176158.db2.gz CJCSVIDUJYDAAN-GFCCVEGCSA-N 1 2 315.377 2.764 20 5 DFBDLO C[C@H]1C[NH+](CCSc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000594896348 398866863 /nfs/dbraw/zinc/86/68/63/398866863.db2.gz WBBZIPRTVOSBTO-QWRGUYRKSA-N 1 2 314.382 2.935 20 5 DFBDLO C[C@@H]([NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1cscn1 ZINC000594964844 398883326 /nfs/dbraw/zinc/88/33/26/398883326.db2.gz AITJROJFLPQGAB-SECBINFHSA-N 1 2 321.358 2.673 20 5 DFBDLO COc1cc(C[NH2+][C@@H](C)c2cscn2)c([N+](=O)[O-])cc1OC ZINC000594966222 398883399 /nfs/dbraw/zinc/88/33/99/398883399.db2.gz RFEJZQHFUZECSY-VIFPVBQESA-N 1 2 323.374 2.919 20 5 DFBDLO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)[nH]1 ZINC000595033092 398894934 /nfs/dbraw/zinc/89/49/34/398894934.db2.gz ARUALBPTBXCFKZ-NXEZZACHSA-N 1 2 319.365 2.696 20 5 DFBDLO COc1cccnc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595054301 398898430 /nfs/dbraw/zinc/89/84/30/398898430.db2.gz ZCHOTUCLMKKQDY-LLVKDONJSA-N 1 2 317.345 2.858 20 5 DFBDLO CCOc1ccc([C@H](C)[NH2+]Cc2ncccn2)cc1[N+](=O)[O-] ZINC000595098584 398904395 /nfs/dbraw/zinc/90/43/95/398904395.db2.gz IYFFYMUBYOFZTP-NSHDSACASA-N 1 2 302.334 2.634 20 5 DFBDLO CCOC(=O)[C@H](C)[N@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470173475 299292998 /nfs/dbraw/zinc/29/29/98/299292998.db2.gz BZXGYMNRHVFBCD-SUIFULHWSA-N 1 2 306.362 2.882 20 5 DFBDLO CCOC(=O)[C@H](C)[N@@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470173475 299293000 /nfs/dbraw/zinc/29/30/00/299293000.db2.gz BZXGYMNRHVFBCD-SUIFULHWSA-N 1 2 306.362 2.882 20 5 DFBDLO CC(C)COC[C@H](O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599023074 398909288 /nfs/dbraw/zinc/90/92/88/398909288.db2.gz BHSGAMRCUQPWAM-CYBMUJFWSA-N 1 2 319.361 2.588 20 5 DFBDLO COc1cc(C[N@H+](C)Cc2onc(C)c2[N+](=O)[O-])cc(OC)c1 ZINC000595295644 398917637 /nfs/dbraw/zinc/91/76/37/398917637.db2.gz NRGPJSHVPWBQGB-UHFFFAOYSA-N 1 2 321.333 2.540 20 5 DFBDLO COc1cc(C[N@@H+](C)Cc2onc(C)c2[N+](=O)[O-])cc(OC)c1 ZINC000595295644 398917639 /nfs/dbraw/zinc/91/76/39/398917639.db2.gz NRGPJSHVPWBQGB-UHFFFAOYSA-N 1 2 321.333 2.540 20 5 DFBDLO O=[N+]([O-])c1c(N[C@H]2CCN(CC(F)F)C2)ccc2c[nH+]ccc21 ZINC000599093470 398920171 /nfs/dbraw/zinc/92/01/71/398920171.db2.gz UQXQADRSJFAPIN-NSHDSACASA-N 1 2 322.315 2.894 20 5 DFBDLO C[C@@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@@H]1CO ZINC000599111550 398922719 /nfs/dbraw/zinc/92/27/19/398922719.db2.gz JYVGSWQDRXPWPU-DGCLKSJQSA-N 1 2 301.346 2.598 20 5 DFBDLO Cc1noc(C[N@@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)c1[N+](=O)[O-] ZINC000595381124 398930323 /nfs/dbraw/zinc/93/03/23/398930323.db2.gz JKOFHHIOVFEHHP-RISCZKNCSA-N 1 2 317.345 2.715 20 5 DFBDLO Cc1noc(C[N@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)c1[N+](=O)[O-] ZINC000595381124 398930324 /nfs/dbraw/zinc/93/03/24/398930324.db2.gz JKOFHHIOVFEHHP-RISCZKNCSA-N 1 2 317.345 2.715 20 5 DFBDLO CC[C@H](NC(=O)CCc1c[nH+]cn1C)c1cccc([N+](=O)[O-])c1 ZINC000189222866 200366170 /nfs/dbraw/zinc/36/61/70/200366170.db2.gz HCSBVZNWBMVSGF-HNNXBMFYSA-N 1 2 316.361 2.528 20 5 DFBDLO CCn1ncnc1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417319332 296009626 /nfs/dbraw/zinc/00/96/26/296009626.db2.gz BSEKEWRYJDAJRA-HNNXBMFYSA-N 1 2 315.377 2.764 20 5 DFBDLO COc1cccc(C2([NH2+]Cc3onc(C)c3[N+](=O)[O-])CC2)c1 ZINC000595417993 398934232 /nfs/dbraw/zinc/93/42/32/398934232.db2.gz MXNNBDJNMPNTMG-UHFFFAOYSA-N 1 2 303.318 2.679 20 5 DFBDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595455948 398942078 /nfs/dbraw/zinc/94/20/78/398942078.db2.gz QBRONCRHGYAVDC-DGFSRKRXSA-N 1 2 322.336 2.507 20 5 DFBDLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595455948 398942080 /nfs/dbraw/zinc/94/20/80/398942080.db2.gz QBRONCRHGYAVDC-DGFSRKRXSA-N 1 2 322.336 2.507 20 5 DFBDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595455950 398942425 /nfs/dbraw/zinc/94/24/25/398942425.db2.gz QBRONCRHGYAVDC-XEGUGMAKSA-N 1 2 322.336 2.507 20 5 DFBDLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595455950 398942428 /nfs/dbraw/zinc/94/24/28/398942428.db2.gz QBRONCRHGYAVDC-XEGUGMAKSA-N 1 2 322.336 2.507 20 5 DFBDLO Cc1cccn2cc(CC(=O)Nc3ccc([N+](=O)[O-])cc3)[nH+]c12 ZINC000604559979 398958894 /nfs/dbraw/zinc/95/88/94/398958894.db2.gz QMBRSMOULYQNNM-UHFFFAOYSA-N 1 2 310.313 2.732 20 5 DFBDLO Cc1cc(NC2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000195303712 201375955 /nfs/dbraw/zinc/37/59/55/201375955.db2.gz MQRXGDWVOBIKBC-UHFFFAOYSA-N 1 2 314.345 2.951 20 5 DFBDLO CCOc1cc(C[N@@H+]2CCO[C@@](C)(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000595626136 399007449 /nfs/dbraw/zinc/00/74/49/399007449.db2.gz PNBABQMDWMZSOL-QGZVFWFLSA-N 1 2 320.389 2.994 20 5 DFBDLO CCOc1cc(C[N@H+]2CCO[C@@](C)(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000595626136 399007454 /nfs/dbraw/zinc/00/74/54/399007454.db2.gz PNBABQMDWMZSOL-QGZVFWFLSA-N 1 2 320.389 2.994 20 5 DFBDLO C[C@H]1c2ccccc2C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000361062448 291320820 /nfs/dbraw/zinc/32/08/20/291320820.db2.gz LXXZNUIMHYOVLH-NSHDSACASA-N 1 2 311.341 2.771 20 5 DFBDLO C[C@H]1c2ccccc2C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000361062448 291320822 /nfs/dbraw/zinc/32/08/22/291320822.db2.gz LXXZNUIMHYOVLH-NSHDSACASA-N 1 2 311.341 2.771 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1cscn1 ZINC000595668918 399026348 /nfs/dbraw/zinc/02/63/48/399026348.db2.gz RMLYLGAEROGSOG-JTQLQIEISA-N 1 2 320.374 2.649 20 5 DFBDLO CC[C@@H](C)[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000057304060 399032086 /nfs/dbraw/zinc/03/20/86/399032086.db2.gz KMEKPGGHJGQTGO-VXGBXAGGSA-N 1 2 316.361 2.945 20 5 DFBDLO CC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)C ZINC000057409623 399039678 /nfs/dbraw/zinc/03/96/78/399039678.db2.gz PJZACTUSBIWSFT-ZDUSSCGKSA-N 1 2 316.361 2.945 20 5 DFBDLO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000595810507 399094500 /nfs/dbraw/zinc/09/45/00/399094500.db2.gz YNQHPRODOHQNEE-GFCCVEGCSA-N 1 2 306.362 2.834 20 5 DFBDLO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000595810507 399094507 /nfs/dbraw/zinc/09/45/07/399094507.db2.gz YNQHPRODOHQNEE-GFCCVEGCSA-N 1 2 306.362 2.834 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCOCC1CCC1)CCO2 ZINC000419288582 296132208 /nfs/dbraw/zinc/13/22/08/296132208.db2.gz XBUOIVOMBGWRLR-UHFFFAOYSA-N 1 2 306.362 2.606 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCOCC1CCC1)CCO2 ZINC000419288582 296132209 /nfs/dbraw/zinc/13/22/09/296132209.db2.gz XBUOIVOMBGWRLR-UHFFFAOYSA-N 1 2 306.362 2.606 20 5 DFBDLO O=[N+]([O-])c1ccc(CNc2cc(N3CCCCC3)nc[nH+]2)cc1 ZINC000264743831 204120055 /nfs/dbraw/zinc/12/00/55/204120055.db2.gz ZNFCNBVUIQEZGF-UHFFFAOYSA-N 1 2 313.361 2.987 20 5 DFBDLO O=[N+]([O-])c1ccc(CNc2cc(N3CCCCC3)[nH+]cn2)cc1 ZINC000264743831 204120057 /nfs/dbraw/zinc/12/00/57/204120057.db2.gz ZNFCNBVUIQEZGF-UHFFFAOYSA-N 1 2 313.361 2.987 20 5 DFBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC2(CCOCC2)O1 ZINC000282461600 217014014 /nfs/dbraw/zinc/01/40/14/217014014.db2.gz JWUZHXBSWAEGAQ-GFCCVEGCSA-N 1 2 324.352 2.504 20 5 DFBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC2(CCOCC2)O1 ZINC000282461600 217014015 /nfs/dbraw/zinc/01/40/15/217014015.db2.gz JWUZHXBSWAEGAQ-GFCCVEGCSA-N 1 2 324.352 2.504 20 5 DFBDLO CN(Cc1[nH+]ccn1C)c1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000596060265 399158698 /nfs/dbraw/zinc/15/86/98/399158698.db2.gz DNDQBANKYAPULS-UHFFFAOYSA-N 1 2 314.267 2.984 20 5 DFBDLO COC(=O)c1occc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271721621 209157012 /nfs/dbraw/zinc/15/70/12/209157012.db2.gz LAHKRTKHLWPVBL-SNVBAGLBSA-N 1 2 304.302 2.825 20 5 DFBDLO C[C@@H]1C[N@H+](CCNc2ccc(C(F)F)cc2[N+](=O)[O-])CCO1 ZINC000596102348 399173981 /nfs/dbraw/zinc/17/39/81/399173981.db2.gz SAKYWNUAKXBAMD-SNVBAGLBSA-N 1 2 315.320 2.665 20 5 DFBDLO C[C@@H]1C[N@@H+](CCNc2ccc(C(F)F)cc2[N+](=O)[O-])CCO1 ZINC000596102348 399173988 /nfs/dbraw/zinc/17/39/88/399173988.db2.gz SAKYWNUAKXBAMD-SNVBAGLBSA-N 1 2 315.320 2.665 20 5 DFBDLO COCc1cc([N+](=O)[O-])ccc1NCCNc1cccc[nH+]1 ZINC000266033277 205043442 /nfs/dbraw/zinc/04/34/42/205043442.db2.gz SMXSPDZLXFMNAL-UHFFFAOYSA-N 1 2 302.334 2.660 20 5 DFBDLO Cc1cc(N(C)CC[C@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000266250940 205214347 /nfs/dbraw/zinc/21/43/47/205214347.db2.gz NDHBOFOZTHUKDS-LBPRGKRZSA-N 1 2 316.361 2.567 20 5 DFBDLO CC1(C)C[C@H]1Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000619153447 399302816 /nfs/dbraw/zinc/30/28/16/399302816.db2.gz RQYGQHMHQUQBKA-OAHLLOKOSA-N 1 2 305.378 2.637 20 5 DFBDLO CN(CC1CCC1)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000619153762 399302934 /nfs/dbraw/zinc/30/29/34/399302934.db2.gz DPTHCCIHNVMUDZ-UHFFFAOYSA-N 1 2 319.405 2.663 20 5 DFBDLO Cc1ccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000609131470 399304564 /nfs/dbraw/zinc/30/45/64/399304564.db2.gz QKZHGPQXWJBGRI-AWEZNQCLSA-N 1 2 314.345 2.577 20 5 DFBDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000609631144 399327575 /nfs/dbraw/zinc/32/75/75/399327575.db2.gz NZHBKOGXKRPMJL-LBPRGKRZSA-N 1 2 318.402 2.935 20 5 DFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCC(F)(F)F ZINC000104678537 194024886 /nfs/dbraw/zinc/02/48/86/194024886.db2.gz BZJHSZOXZNXPQL-SECBINFHSA-N 1 2 319.283 2.806 20 5 DFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCC(F)(F)F ZINC000104678537 194024888 /nfs/dbraw/zinc/02/48/88/194024888.db2.gz BZJHSZOXZNXPQL-SECBINFHSA-N 1 2 319.283 2.806 20 5 DFBDLO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](C(F)(F)F)O1 ZINC000610410530 399365182 /nfs/dbraw/zinc/36/51/82/399365182.db2.gz XDEIMOYHXNQFLM-GXFFZTMASA-N 1 2 318.295 2.789 20 5 DFBDLO C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](C(F)(F)F)O1 ZINC000610410530 399365185 /nfs/dbraw/zinc/36/51/85/399365185.db2.gz XDEIMOYHXNQFLM-GXFFZTMASA-N 1 2 318.295 2.789 20 5 DFBDLO C[C@H]([NH2+]Cc1csc(N(C)C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000610539558 399379272 /nfs/dbraw/zinc/37/92/72/399379272.db2.gz YBXVZYZPMLTKRL-JTQLQIEISA-N 1 2 306.391 2.968 20 5 DFBDLO Cc1cccn2cc(CNC(=O)c3ccc([N+](=O)[O-])c(C)c3)[nH+]c12 ZINC000109435591 194262824 /nfs/dbraw/zinc/26/28/24/194262824.db2.gz XSOJMXROQPABKW-UHFFFAOYSA-N 1 2 324.340 2.789 20 5 DFBDLO COC(=O)C1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000109799416 194287394 /nfs/dbraw/zinc/28/73/94/194287394.db2.gz BYQMMKVSEDNFOS-UHFFFAOYSA-N 1 2 306.362 2.603 20 5 DFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)s1 ZINC000610785238 399406280 /nfs/dbraw/zinc/40/62/80/399406280.db2.gz ASMHHZIWHNPPFJ-NEPJUHHUSA-N 1 2 311.407 2.712 20 5 DFBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cnc2ccnn2c1)C1CC1 ZINC000610995172 399426623 /nfs/dbraw/zinc/42/66/23/399426623.db2.gz RDBUOOVVVJYYSK-UHFFFAOYSA-N 1 2 323.356 2.802 20 5 DFBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cnc2ccnn2c1)C1CC1 ZINC000610995172 399426625 /nfs/dbraw/zinc/42/66/25/399426625.db2.gz RDBUOOVVVJYYSK-UHFFFAOYSA-N 1 2 323.356 2.802 20 5 DFBDLO COc1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)cn1 ZINC000611072279 399431728 /nfs/dbraw/zinc/43/17/28/399431728.db2.gz VDJOWGTYQKAJSA-UHFFFAOYSA-N 1 2 317.345 2.639 20 5 DFBDLO COc1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)cn1 ZINC000611072279 399431730 /nfs/dbraw/zinc/43/17/30/399431730.db2.gz VDJOWGTYQKAJSA-UHFFFAOYSA-N 1 2 317.345 2.639 20 5 DFBDLO O=[N+]([O-])c1ncccc1N1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000611493782 399481846 /nfs/dbraw/zinc/48/18/46/399481846.db2.gz AYHOZCFIBCBYIL-UHFFFAOYSA-N 1 2 321.340 2.738 20 5 DFBDLO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000611577018 399495668 /nfs/dbraw/zinc/49/56/68/399495668.db2.gz ZHOXCNOANDXXKK-OAHLLOKOSA-N 1 2 306.362 2.821 20 5 DFBDLO COC(=O)[C@H]1CCCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000611577018 399495671 /nfs/dbraw/zinc/49/56/71/399495671.db2.gz ZHOXCNOANDXXKK-OAHLLOKOSA-N 1 2 306.362 2.821 20 5 DFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1nccn1C ZINC000347381000 285021521 /nfs/dbraw/zinc/02/15/21/285021521.db2.gz SSYLTXGGMNMNEI-LCYFTJDESA-N 1 2 300.362 2.864 20 5 DFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1nccn1C ZINC000347381000 285021522 /nfs/dbraw/zinc/02/15/22/285021522.db2.gz SSYLTXGGMNMNEI-LCYFTJDESA-N 1 2 300.362 2.864 20 5 DFBDLO COC(=O)C[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000347371869 285018593 /nfs/dbraw/zinc/01/85/93/285018593.db2.gz QFFDHQRGYCXDAT-XYOKQWHBSA-N 1 2 304.346 2.636 20 5 DFBDLO COC(=O)C[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000347371869 285018598 /nfs/dbraw/zinc/01/85/98/285018598.db2.gz QFFDHQRGYCXDAT-XYOKQWHBSA-N 1 2 304.346 2.636 20 5 DFBDLO CCOc1cc(N2CCn3cc(C)[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000611764331 399522020 /nfs/dbraw/zinc/52/20/20/399522020.db2.gz VYBIQPXCHGZMFM-UHFFFAOYSA-N 1 2 302.334 2.519 20 5 DFBDLO CC[C@@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@H](C)[S@]1=O ZINC000286093429 218788119 /nfs/dbraw/zinc/78/81/19/218788119.db2.gz SXIHUGGOOPFPFT-ROGZAUJASA-N 1 2 310.419 2.887 20 5 DFBDLO CC[C@@H]1C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@H](C)[S@]1=O ZINC000286093429 218788120 /nfs/dbraw/zinc/78/81/20/218788120.db2.gz SXIHUGGOOPFPFT-ROGZAUJASA-N 1 2 310.419 2.887 20 5 DFBDLO Cc1[nH+]c2ccccc2n1CCCNc1ncc([N+](=O)[O-])cn1 ZINC000273128311 210507253 /nfs/dbraw/zinc/50/72/53/210507253.db2.gz AZWNFWAFGWJXGM-UHFFFAOYSA-N 1 2 312.333 2.545 20 5 DFBDLO Cc1cccc2nc(C[N@@H+]3CCc4ncc([N+](=O)[O-])cc4C3)cn21 ZINC000347777552 285169481 /nfs/dbraw/zinc/16/94/81/285169481.db2.gz BEZHFYOMHVMKKA-UHFFFAOYSA-N 1 2 323.356 2.504 20 5 DFBDLO Cc1cccc2nc(C[N@H+]3CCc4ncc([N+](=O)[O-])cc4C3)cn21 ZINC000347777552 285169484 /nfs/dbraw/zinc/16/94/84/285169484.db2.gz BEZHFYOMHVMKKA-UHFFFAOYSA-N 1 2 323.356 2.504 20 5 DFBDLO CN(CCCn1cc[nH+]c1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000155019501 197013900 /nfs/dbraw/zinc/01/39/00/197013900.db2.gz JMMTVVPPTFDYCO-UHFFFAOYSA-N 1 2 322.752 2.607 20 5 DFBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]1c1ncccn1 ZINC000602895997 399618265 /nfs/dbraw/zinc/61/82/65/399618265.db2.gz FBPIHVHXJVKROU-CQSZACIVSA-N 1 2 314.345 2.601 20 5 DFBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]1c1ncccn1 ZINC000602895997 399618269 /nfs/dbraw/zinc/61/82/69/399618269.db2.gz FBPIHVHXJVKROU-CQSZACIVSA-N 1 2 314.345 2.601 20 5 DFBDLO O=[N+]([O-])c1cccc2ncnc(N3CCC(c4c[nH]c[nH+]4)CC3)c21 ZINC000612446917 399653824 /nfs/dbraw/zinc/65/38/24/399653824.db2.gz IDOLNNNGQXYEPB-UHFFFAOYSA-N 1 2 324.344 2.645 20 5 DFBDLO O=[N+]([O-])c1cccc2ncnc(N3CCC(c4c[nH+]c[nH]4)CC3)c21 ZINC000612446917 399653828 /nfs/dbraw/zinc/65/38/28/399653828.db2.gz IDOLNNNGQXYEPB-UHFFFAOYSA-N 1 2 324.344 2.645 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000612402178 399643427 /nfs/dbraw/zinc/64/34/27/399643427.db2.gz TURUCBFCCKHTIK-ZDUSSCGKSA-N 1 2 306.362 2.549 20 5 DFBDLO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000612581968 399680694 /nfs/dbraw/zinc/68/06/94/399680694.db2.gz CODWZUHEKSYALM-HNNXBMFYSA-N 1 2 306.362 2.821 20 5 DFBDLO COC(=O)[C@@H]1CCCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000612581968 399680697 /nfs/dbraw/zinc/68/06/97/399680697.db2.gz CODWZUHEKSYALM-HNNXBMFYSA-N 1 2 306.362 2.821 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(NCc2ccc(N3CCCC3)[nH+]c2)n1 ZINC000121013526 195278974 /nfs/dbraw/zinc/27/89/74/195278974.db2.gz WXURUOPDCHYMNK-UHFFFAOYSA-N 1 2 313.361 2.906 20 5 DFBDLO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)cc1[N+](=O)[O-] ZINC000348158723 285388504 /nfs/dbraw/zinc/38/85/04/285388504.db2.gz LVUFOUPHMSXYKM-CYBMUJFWSA-N 1 2 302.334 2.664 20 5 DFBDLO COc1ccc(C[N@H+]2CCC[C@@H]2c2cc[nH]n2)cc1[N+](=O)[O-] ZINC000348158723 285388506 /nfs/dbraw/zinc/38/85/06/285388506.db2.gz LVUFOUPHMSXYKM-CYBMUJFWSA-N 1 2 302.334 2.664 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccncc1F ZINC000338357917 146593571 /nfs/dbraw/zinc/59/35/71/146593571.db2.gz OWFXXBUDSBBHDZ-SNVBAGLBSA-N 1 2 305.309 2.988 20 5 DFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@@H](C)[C@H]1C ZINC000293006540 533328555 /nfs/dbraw/zinc/32/85/55/533328555.db2.gz NNXVCSXYHFMORL-BBBLOLIVSA-N 1 2 311.769 2.915 20 5 DFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@@H](C)[C@H]1C ZINC000293006540 533328561 /nfs/dbraw/zinc/32/85/61/533328561.db2.gz NNXVCSXYHFMORL-BBBLOLIVSA-N 1 2 311.769 2.915 20 5 DFBDLO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)C(F)F ZINC000603428290 399773951 /nfs/dbraw/zinc/77/39/51/399773951.db2.gz GPGBDDCRNSXBID-RKDXNWHRSA-N 1 2 301.293 2.555 20 5 DFBDLO Cn1ccnc1[C@H]([NH2+][C@@H]1C[C@@H]1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000348296671 285478732 /nfs/dbraw/zinc/47/87/32/285478732.db2.gz XAYRIHMXXKDCIF-YNEHKIRRSA-N 1 2 322.315 2.661 20 5 DFBDLO COc1c(C)c[nH+]c(CN(C)c2cccnc2[N+](=O)[O-])c1C ZINC000604502710 399851014 /nfs/dbraw/zinc/85/10/14/399851014.db2.gz LMXACZJOKYNFQG-UHFFFAOYSA-N 1 2 302.334 2.647 20 5 DFBDLO Cn1c(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)ccc1[N+](=O)[O-] ZINC000355336696 147271436 /nfs/dbraw/zinc/27/14/36/147271436.db2.gz RARALFMIGRKAIB-UHFFFAOYSA-N 1 2 311.301 2.576 20 5 DFBDLO Cn1c[nH+]cc1Cc1noc(-c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000357966669 148194389 /nfs/dbraw/zinc/19/43/89/148194389.db2.gz ZFAPLRHRKDCKOM-UHFFFAOYSA-N 1 2 319.708 2.623 20 5 DFBDLO Cc1c(C[N@@H+]2CCO[C@H](COC(C)C)C2)cccc1[N+](=O)[O-] ZINC000372159557 150142725 /nfs/dbraw/zinc/14/27/25/150142725.db2.gz CCNUDVGMRJHXAV-HNNXBMFYSA-N 1 2 308.378 2.529 20 5 DFBDLO Cc1c(C[N@H+]2CCO[C@H](COC(C)C)C2)cccc1[N+](=O)[O-] ZINC000372159557 150142726 /nfs/dbraw/zinc/14/27/26/150142726.db2.gz CCNUDVGMRJHXAV-HNNXBMFYSA-N 1 2 308.378 2.529 20 5 DFBDLO COc1cc(N2CCn3c(C)c(C)[nH+]c3C2)c([N+](=O)[O-])cc1F ZINC000362827814 286230912 /nfs/dbraw/zinc/23/09/12/286230912.db2.gz BZOZBEHPUXIBFR-UHFFFAOYSA-N 1 2 320.324 2.576 20 5 DFBDLO Cc1cc[nH+]c(C)c1NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000351931448 286248421 /nfs/dbraw/zinc/24/84/21/286248421.db2.gz RDBRSFOVJXVJLP-UHFFFAOYSA-N 1 2 300.318 2.928 20 5 DFBDLO COc1ccc(C[N@@H+]2CCc3ccc(O)cc3C2)cc1[N+](=O)[O-] ZINC000351978910 286259255 /nfs/dbraw/zinc/25/92/55/286259255.db2.gz CXYYLJBHXOHRKX-UHFFFAOYSA-N 1 2 314.341 2.867 20 5 DFBDLO COc1ccc(C[N@H+]2CCc3ccc(O)cc3C2)cc1[N+](=O)[O-] ZINC000351978910 286259256 /nfs/dbraw/zinc/25/92/56/286259256.db2.gz CXYYLJBHXOHRKX-UHFFFAOYSA-N 1 2 314.341 2.867 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000182842459 158007952 /nfs/dbraw/zinc/00/79/52/158007952.db2.gz RGSYMSHOLOSPFU-JQFCIGGWSA-N 1 2 320.389 2.844 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000182842459 158007956 /nfs/dbraw/zinc/00/79/56/158007956.db2.gz RGSYMSHOLOSPFU-JQFCIGGWSA-N 1 2 320.389 2.844 20 5 DFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000356454461 287152073 /nfs/dbraw/zinc/15/20/73/287152073.db2.gz LKELKXVXQZPEOP-LBPRGKRZSA-N 1 2 315.377 2.644 20 5 DFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000356454461 287152076 /nfs/dbraw/zinc/15/20/76/287152076.db2.gz LKELKXVXQZPEOP-LBPRGKRZSA-N 1 2 315.377 2.644 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCCC3(C2)OCCO3)ccc1Cl ZINC000133742972 196333482 /nfs/dbraw/zinc/33/34/82/196333482.db2.gz HFDFIDOZYUZUKT-UHFFFAOYSA-N 1 2 312.753 2.587 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCCC3(C2)OCCO3)ccc1Cl ZINC000133742972 196333484 /nfs/dbraw/zinc/33/34/84/196333484.db2.gz HFDFIDOZYUZUKT-UHFFFAOYSA-N 1 2 312.753 2.587 20 5 DFBDLO Cc1nc(N2CC[C@H](CNc3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000133983019 196351010 /nfs/dbraw/zinc/35/10/10/196351010.db2.gz RSXBRVFBKUHDEX-CYBMUJFWSA-N 1 2 313.361 2.632 20 5 DFBDLO O=[N+]([O-])c1ccc(OC2C[NH+](Cc3cccc(O)c3)C2)cc1 ZINC000297466583 227205047 /nfs/dbraw/zinc/20/50/47/227205047.db2.gz RZPMJAGFJPNVND-UHFFFAOYSA-N 1 2 300.314 2.564 20 5 DFBDLO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120151010 304498471 /nfs/dbraw/zinc/49/84/71/304498471.db2.gz ASDKOWFYOSOOPQ-ZDUSSCGKSA-N 1 2 318.308 2.824 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000068568928 425918810 /nfs/dbraw/zinc/91/88/10/425918810.db2.gz IOLLQSGNOCXRSP-UHFFFAOYSA-N 1 2 324.340 2.789 20 5 DFBDLO C[C@H](c1ccco1)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000069067717 425927855 /nfs/dbraw/zinc/92/78/55/425927855.db2.gz OLMQMARGCVKARS-GFCCVEGCSA-N 1 2 317.345 2.844 20 5 DFBDLO C[C@H](c1ccco1)[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000069067717 425927858 /nfs/dbraw/zinc/92/78/58/425927858.db2.gz OLMQMARGCVKARS-GFCCVEGCSA-N 1 2 317.345 2.844 20 5 DFBDLO Cc1cc(NC(=O)CCNc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000010893110 425706059 /nfs/dbraw/zinc/70/60/59/425706059.db2.gz QVJXRZROXLSIRR-UHFFFAOYSA-N 1 2 300.318 2.739 20 5 DFBDLO C[C@H](C(=O)N1CCC(C)CC1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026347174 425812271 /nfs/dbraw/zinc/81/22/71/425812271.db2.gz GESVGFBVHBKHTQ-CQSZACIVSA-N 1 2 319.405 2.674 20 5 DFBDLO C[C@H](C(=O)N1CCC(C)CC1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026347174 425812274 /nfs/dbraw/zinc/81/22/74/425812274.db2.gz GESVGFBVHBKHTQ-CQSZACIVSA-N 1 2 319.405 2.674 20 5 DFBDLO CCC(C)(C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032145759 425838259 /nfs/dbraw/zinc/83/82/59/425838259.db2.gz XOSALEHBZJDPSQ-UHFFFAOYSA-N 1 2 302.334 2.699 20 5 DFBDLO C[C@@H](NC(=O)Cc1cn2ccccc2[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000194057302 268089493 /nfs/dbraw/zinc/08/94/93/268089493.db2.gz LXRQZVIBVFYBHE-GFCCVEGCSA-N 1 2 324.340 2.662 20 5 DFBDLO Cc1cc(N[C@@H]2CCCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000264509500 268173352 /nfs/dbraw/zinc/17/33/52/268173352.db2.gz STBPPGDHWHWYSW-CYBMUJFWSA-N 1 2 314.345 2.951 20 5 DFBDLO COC(=O)CC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)C ZINC000286640639 268274309 /nfs/dbraw/zinc/27/43/09/268274309.db2.gz ZWFDHFBNIRWHFQ-UHFFFAOYSA-N 1 2 316.304 2.647 20 5 DFBDLO COC(=O)CC[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)C ZINC000286640639 268274310 /nfs/dbraw/zinc/27/43/10/268274310.db2.gz ZWFDHFBNIRWHFQ-UHFFFAOYSA-N 1 2 316.304 2.647 20 5 DFBDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC000314649827 268341463 /nfs/dbraw/zinc/34/14/63/268341463.db2.gz MUUWEGYOHZDOOH-VIFPVBQESA-N 1 2 321.358 2.689 20 5 DFBDLO COC(=O)c1cnc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC000314740417 268341520 /nfs/dbraw/zinc/34/15/20/268341520.db2.gz WTMNSGFLAHUOBY-VIFPVBQESA-N 1 2 321.358 2.689 20 5 DFBDLO CC[C@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000318235776 268345799 /nfs/dbraw/zinc/34/57/99/268345799.db2.gz AINOCAQDQIUMTG-GWCFXTLKSA-N 1 2 302.334 2.689 20 5 DFBDLO CC[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000318235777 268345898 /nfs/dbraw/zinc/34/58/98/268345898.db2.gz AINOCAQDQIUMTG-GXFFZTMASA-N 1 2 302.334 2.689 20 5 DFBDLO CC[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000125399108 425969595 /nfs/dbraw/zinc/96/95/95/425969595.db2.gz OZSLIDDCMYPUBL-SNVBAGLBSA-N 1 2 311.769 2.919 20 5 DFBDLO CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000125399108 425969597 /nfs/dbraw/zinc/96/95/97/425969597.db2.gz OZSLIDDCMYPUBL-SNVBAGLBSA-N 1 2 311.769 2.919 20 5 DFBDLO C[C@@H]([NH2+][C@@H](C)c1nccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000106242581 425971237 /nfs/dbraw/zinc/97/12/37/425971237.db2.gz OXZILBCXKNUCLC-ZJUUUORDSA-N 1 2 320.374 2.729 20 5 DFBDLO C[C@H]1CC[C@H](C)N1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000161569773 426030086 /nfs/dbraw/zinc/03/00/86/426030086.db2.gz HSZVOKCTTRLMGO-RYUDHWBXSA-N 1 2 314.345 2.794 20 5 DFBDLO Cc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000127866989 426089446 /nfs/dbraw/zinc/08/94/46/426089446.db2.gz ICZFGPBOMXPHEL-UHFFFAOYSA-N 1 2 312.373 2.620 20 5 DFBDLO C[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCS1 ZINC000171691267 426204098 /nfs/dbraw/zinc/20/40/98/426204098.db2.gz GBRCAPLSZPUOCX-SNVBAGLBSA-N 1 2 320.374 2.582 20 5 DFBDLO C[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCS1 ZINC000171691267 426204101 /nfs/dbraw/zinc/20/41/01/426204101.db2.gz GBRCAPLSZPUOCX-SNVBAGLBSA-N 1 2 320.374 2.582 20 5 DFBDLO CN(C)c1[nH+]cccc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000172412392 426226675 /nfs/dbraw/zinc/22/66/75/426226675.db2.gz JJQLUCIBGCEXCH-UHFFFAOYSA-N 1 2 320.736 2.962 20 5 DFBDLO Cc1[nH+]c2ccccn2c1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000150873594 426265546 /nfs/dbraw/zinc/26/55/46/426265546.db2.gz BMIQLJRLSLJBMC-UHFFFAOYSA-N 1 2 324.296 2.507 20 5 DFBDLO COc1cc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000119524050 426294215 /nfs/dbraw/zinc/29/42/15/426294215.db2.gz AYGSFTRGNBUZER-NSHDSACASA-N 1 2 324.377 2.611 20 5 DFBDLO COc1cc(C[N@H+]2C[C@H](C)OC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000119524050 426294217 /nfs/dbraw/zinc/29/42/17/426294217.db2.gz AYGSFTRGNBUZER-NSHDSACASA-N 1 2 324.377 2.611 20 5 DFBDLO C[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000153772655 426405744 /nfs/dbraw/zinc/40/57/44/426405744.db2.gz YDODJCGMYKXOFK-JTQLQIEISA-N 1 2 322.752 2.511 20 5 DFBDLO C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H]1C ZINC000177043914 426437788 /nfs/dbraw/zinc/43/77/88/426437788.db2.gz MZXGGEHJNWNBOG-RYUDHWBXSA-N 1 2 314.345 2.651 20 5 DFBDLO COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000123641850 426444843 /nfs/dbraw/zinc/44/48/43/426444843.db2.gz BWPHVXBJYIZXOQ-JSGCOSHPSA-N 1 2 307.394 2.518 20 5 DFBDLO COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000123641850 426444848 /nfs/dbraw/zinc/44/48/48/426444848.db2.gz BWPHVXBJYIZXOQ-JSGCOSHPSA-N 1 2 307.394 2.518 20 5 DFBDLO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000340899030 269028812 /nfs/dbraw/zinc/02/88/12/269028812.db2.gz LAKPTYFQKRZMTO-ZUZCIYMTSA-N 1 2 317.320 2.611 20 5 DFBDLO C[C@@H]1CCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000264308236 426531455 /nfs/dbraw/zinc/53/14/55/426531455.db2.gz SJRTWLZSFBUHEF-DGCLKSJQSA-N 1 2 314.345 2.699 20 5 DFBDLO Cn1cc[nH+]c1CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000264317010 426534811 /nfs/dbraw/zinc/53/48/11/426534811.db2.gz PCCPDFHWDPJBGM-UHFFFAOYSA-N 1 2 316.361 2.556 20 5 DFBDLO Cc1occc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000178723954 426683501 /nfs/dbraw/zinc/68/35/01/426683501.db2.gz YJHPGLMUEPEOGQ-NSHDSACASA-N 1 2 317.345 2.955 20 5 DFBDLO Cc1occc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000178723954 426683503 /nfs/dbraw/zinc/68/35/03/426683503.db2.gz YJHPGLMUEPEOGQ-NSHDSACASA-N 1 2 317.345 2.955 20 5 DFBDLO C[N@H+](Cc1ccc([S@@](C)=O)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000178434701 426628265 /nfs/dbraw/zinc/62/82/65/426628265.db2.gz SRXGKIQNGIEZRF-JOCHJYFZSA-N 1 2 318.398 2.964 20 5 DFBDLO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000178434701 426628272 /nfs/dbraw/zinc/62/82/72/426628272.db2.gz SRXGKIQNGIEZRF-JOCHJYFZSA-N 1 2 318.398 2.964 20 5 DFBDLO COCCN1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000245524483 426747736 /nfs/dbraw/zinc/74/77/36/426747736.db2.gz NQGSZTYMFSSKQH-GJZGRUSLSA-N 1 2 321.421 2.617 20 5 DFBDLO COCCN1CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000245524483 426747739 /nfs/dbraw/zinc/74/77/39/426747739.db2.gz NQGSZTYMFSSKQH-GJZGRUSLSA-N 1 2 321.421 2.617 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](Cc2ccccn2)CC1 ZINC000267180179 426839784 /nfs/dbraw/zinc/83/97/84/426839784.db2.gz FEOBNSRBYBJCSE-UHFFFAOYSA-N 1 2 312.373 2.620 20 5 DFBDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000246514602 426841239 /nfs/dbraw/zinc/84/12/39/426841239.db2.gz KOYTZIGZZYKKPM-KBMXLJTQSA-N 1 2 324.352 2.502 20 5 DFBDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000246514602 426841246 /nfs/dbraw/zinc/84/12/46/426841246.db2.gz KOYTZIGZZYKKPM-KBMXLJTQSA-N 1 2 324.352 2.502 20 5 DFBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000295342018 426918903 /nfs/dbraw/zinc/91/89/03/426918903.db2.gz BGENSEAYQAJCKZ-CYBMUJFWSA-N 1 2 314.345 2.552 20 5 DFBDLO O=[N+]([O-])c1cccc([C@H](O)Cn2cc[nH+]c2-c2ccncc2)c1 ZINC000305179900 426892577 /nfs/dbraw/zinc/89/25/77/426892577.db2.gz NEYNJCVBERCBGV-OAHLLOKOSA-N 1 2 310.313 2.587 20 5 DFBDLO Cc1cc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ncc1[N+](=O)[O-] ZINC000268237140 426957702 /nfs/dbraw/zinc/95/77/02/426957702.db2.gz GVUHJNROBXWILK-FZMZJTMJSA-N 1 2 301.350 2.582 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@H](n3cccn3)C2)c(F)c1 ZINC000291852608 427008095 /nfs/dbraw/zinc/00/80/95/427008095.db2.gz PCLADSVQVSQUKR-JTQLQIEISA-N 1 2 308.288 2.517 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@H](n3cccn3)C2)c(F)c1 ZINC000291852608 427008100 /nfs/dbraw/zinc/00/81/00/427008100.db2.gz PCLADSVQVSQUKR-JTQLQIEISA-N 1 2 308.288 2.517 20 5 DFBDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000248896445 427061668 /nfs/dbraw/zinc/06/16/68/427061668.db2.gz ZXZIIZNISWGHPE-FMKPAKJESA-N 1 2 318.373 2.677 20 5 DFBDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000248896445 427061673 /nfs/dbraw/zinc/06/16/73/427061673.db2.gz ZXZIIZNISWGHPE-FMKPAKJESA-N 1 2 318.373 2.677 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000190090654 427016811 /nfs/dbraw/zinc/01/68/11/427016811.db2.gz ZZWGNLAZQOHVEI-INIZCTEOSA-N 1 2 308.378 2.994 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@](C)(CC)C1 ZINC000190090654 427016819 /nfs/dbraw/zinc/01/68/19/427016819.db2.gz ZZWGNLAZQOHVEI-INIZCTEOSA-N 1 2 308.378 2.994 20 5 DFBDLO Cn1cc([C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)cn1 ZINC000276293437 427027022 /nfs/dbraw/zinc/02/70/22/427027022.db2.gz IFMJKYQZJJTALE-CQSZACIVSA-N 1 2 304.325 2.805 20 5 DFBDLO Cn1cc([C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)cn1 ZINC000276293437 427027026 /nfs/dbraw/zinc/02/70/26/427027026.db2.gz IFMJKYQZJJTALE-CQSZACIVSA-N 1 2 304.325 2.805 20 5 DFBDLO Cc1[nH+]c2cc(OC(=O)CCC(C)(C)[N+](=O)[O-])ccc2n1C ZINC000296036147 427051299 /nfs/dbraw/zinc/05/12/99/427051299.db2.gz HRPSTGHBTGDJQI-UHFFFAOYSA-N 1 2 305.334 2.623 20 5 DFBDLO CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1[nH]cc[nH+]1 ZINC000276554453 427099240 /nfs/dbraw/zinc/09/92/40/427099240.db2.gz GPIUAISQINHNRO-GFCCVEGCSA-N 1 2 306.297 2.584 20 5 DFBDLO CCC[C@@H]([NH2+]Cc1nnc2n1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000268784686 427115080 /nfs/dbraw/zinc/11/50/80/427115080.db2.gz VGVNYDOWFBALFJ-CQSZACIVSA-N 1 2 315.377 2.764 20 5 DFBDLO CC(C)(C)[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1O ZINC000330457041 427244357 /nfs/dbraw/zinc/24/43/57/427244357.db2.gz QDYXAANIJGSHBB-UKRRQHHQSA-N 1 2 308.378 2.529 20 5 DFBDLO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1O ZINC000330457041 427244360 /nfs/dbraw/zinc/24/43/60/427244360.db2.gz QDYXAANIJGSHBB-UKRRQHHQSA-N 1 2 308.378 2.529 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCOc3cc(O)ccc3C2)cc1 ZINC000285569887 427275705 /nfs/dbraw/zinc/27/57/05/427275705.db2.gz SIOBGKCSZNQZPL-UHFFFAOYSA-N 1 2 300.314 2.695 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCOc3cc(O)ccc3C2)cc1 ZINC000285569887 427275712 /nfs/dbraw/zinc/27/57/12/427275712.db2.gz SIOBGKCSZNQZPL-UHFFFAOYSA-N 1 2 300.314 2.695 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ccncc1F ZINC000338357915 427275866 /nfs/dbraw/zinc/27/58/66/427275866.db2.gz OWFXXBUDSBBHDZ-JTQLQIEISA-N 1 2 305.309 2.988 20 5 DFBDLO C[C@H](F)CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000338754356 427469143 /nfs/dbraw/zinc/46/91/43/427469143.db2.gz LENIQPSLWRUKQC-LBPRGKRZSA-N 1 2 311.357 2.587 20 5 DFBDLO COCc1cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000297674158 427427434 /nfs/dbraw/zinc/42/74/34/427427434.db2.gz OTIIMNDPTOCPGW-LLVKDONJSA-N 1 2 305.334 2.888 20 5 DFBDLO CCCn1ncnc1C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000279081353 427554484 /nfs/dbraw/zinc/55/44/84/427554484.db2.gz LXVAWTWLAKPUSY-CQSZACIVSA-N 1 2 303.366 2.837 20 5 DFBDLO C[NH+](C)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000184648026 427511339 /nfs/dbraw/zinc/51/13/39/427511339.db2.gz AMXATUPUUNTQFT-UHFFFAOYSA-N 1 2 315.329 2.614 20 5 DFBDLO CN(Cc1ccccc1[N+](=O)[O-])c1cc(N2CCCC2)[nH+]cn1 ZINC000192275297 427513425 /nfs/dbraw/zinc/51/34/25/427513425.db2.gz QHSIRCQFFQEYNW-UHFFFAOYSA-N 1 2 313.361 2.621 20 5 DFBDLO CN(Cc1ccccc1[N+](=O)[O-])c1cc(N2CCCC2)nc[nH+]1 ZINC000192275297 427513432 /nfs/dbraw/zinc/51/34/32/427513432.db2.gz QHSIRCQFFQEYNW-UHFFFAOYSA-N 1 2 313.361 2.621 20 5 DFBDLO Nc1ccc([N+](=O)[O-])c(NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000192802317 427615585 /nfs/dbraw/zinc/61/55/85/427615585.db2.gz UHPAHNGLVIZRRI-UHFFFAOYSA-N 1 2 309.329 2.975 20 5 DFBDLO CCn1nc(C)c([N+](=O)[O-])c1NCc1[nH+]ccn1CC(C)C ZINC000192622172 427577111 /nfs/dbraw/zinc/57/71/11/427577111.db2.gz GFWIDPRJQHBUSL-UHFFFAOYSA-N 1 2 306.370 2.584 20 5 DFBDLO O=[N+]([O-])c1ccccc1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000263879463 427600701 /nfs/dbraw/zinc/60/07/01/427600701.db2.gz KXTSOHNCGXGKTE-UHFFFAOYSA-N 1 2 318.402 2.764 20 5 DFBDLO O=[N+]([O-])c1ccccc1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000263879463 427600709 /nfs/dbraw/zinc/60/07/09/427600709.db2.gz KXTSOHNCGXGKTE-UHFFFAOYSA-N 1 2 318.402 2.764 20 5 DFBDLO CCC[N@@H+]1Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)c2C1 ZINC000263894591 427603920 /nfs/dbraw/zinc/60/39/20/427603920.db2.gz YFWZAIXJYQHBCX-UHFFFAOYSA-N 1 2 314.345 2.901 20 5 DFBDLO CCC[N@H+]1Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)c2C1 ZINC000263894591 427603928 /nfs/dbraw/zinc/60/39/28/427603928.db2.gz YFWZAIXJYQHBCX-UHFFFAOYSA-N 1 2 314.345 2.901 20 5 DFBDLO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339037383 427640111 /nfs/dbraw/zinc/64/01/11/427640111.db2.gz KXHSIWCVBXRHDR-YVEFUNNKSA-N 1 2 322.405 2.967 20 5 DFBDLO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339053949 427651712 /nfs/dbraw/zinc/65/17/12/427651712.db2.gz GSHCCWUHDSKXMO-XJKSGUPXSA-N 1 2 322.361 2.512 20 5 DFBDLO C[C@@H]1CC[C@@H]1Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000343816741 272224946 /nfs/dbraw/zinc/22/49/46/272224946.db2.gz XKWNHHHRMYKINK-OCCSQVGLSA-N 1 2 305.378 2.637 20 5 DFBDLO O=C(NCc1ccccc1[N+](=O)[O-])c1cccc(-n2cc[nH+]c2)c1 ZINC000344197719 272284997 /nfs/dbraw/zinc/28/49/97/272284997.db2.gz MVUPNIVKPKZYBB-UHFFFAOYSA-N 1 2 322.324 2.711 20 5 DFBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000344212732 272288802 /nfs/dbraw/zinc/28/88/02/272288802.db2.gz MUXCOGLOERUPGY-CYBMUJFWSA-N 1 2 318.308 2.824 20 5 DFBDLO COc1ccc(C[NH2+]Cc2nnc(C(C)C)s2)cc1[N+](=O)[O-] ZINC000344680465 272356245 /nfs/dbraw/zinc/35/62/45/272356245.db2.gz NSAVDISHAWTRLS-UHFFFAOYSA-N 1 2 322.390 2.868 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000298723125 427685810 /nfs/dbraw/zinc/68/58/10/427685810.db2.gz LJIDWYOXTATCFC-GOEBONIOSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000298723125 427685815 /nfs/dbraw/zinc/68/58/15/427685815.db2.gz LJIDWYOXTATCFC-GOEBONIOSA-N 1 2 306.362 2.747 20 5 DFBDLO Cc1cc(NCC2(O)CCC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301243292 427784231 /nfs/dbraw/zinc/78/42/31/427784231.db2.gz PEDOHEMDKLVDSC-UHFFFAOYSA-N 1 2 314.345 2.687 20 5 DFBDLO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339211806 427733075 /nfs/dbraw/zinc/73/30/75/427733075.db2.gz JBJJPJZNFNXGMB-SKDRFNHKSA-N 1 2 318.295 2.959 20 5 DFBDLO C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339211806 427733078 /nfs/dbraw/zinc/73/30/78/427733078.db2.gz JBJJPJZNFNXGMB-SKDRFNHKSA-N 1 2 318.295 2.959 20 5 DFBDLO CCn1c(C)nc([N+](=O)[O-])c1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000288053822 427733732 /nfs/dbraw/zinc/73/37/32/427733732.db2.gz FKBZCBFVAIKHAS-UHFFFAOYSA-N 1 2 316.365 2.858 20 5 DFBDLO Cc1cn2cc(NC(=O)c3csc([N+](=O)[O-])c3)ccc2[nH+]1 ZINC000339269471 427745994 /nfs/dbraw/zinc/74/59/94/427745994.db2.gz JQEFSTRZHJTWBQ-UHFFFAOYSA-N 1 2 302.315 2.865 20 5 DFBDLO COc1cc[nH+]cc1NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000339579318 427796056 /nfs/dbraw/zinc/79/60/56/427796056.db2.gz XANPCXWOSGOFLL-UHFFFAOYSA-N 1 2 315.329 2.915 20 5 DFBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000301485717 427799476 /nfs/dbraw/zinc/79/94/76/427799476.db2.gz ZHXYIJMEMVDUMS-UHFFFAOYSA-N 1 2 323.356 2.871 20 5 DFBDLO CC(C)Oc1cccc(C[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000339625706 427803684 /nfs/dbraw/zinc/80/36/84/427803684.db2.gz DSKUQLRHDSQZRZ-UHFFFAOYSA-N 1 2 318.377 2.748 20 5 DFBDLO CC(C)Oc1cccc(C[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000339625706 427803686 /nfs/dbraw/zinc/80/36/86/427803686.db2.gz DSKUQLRHDSQZRZ-UHFFFAOYSA-N 1 2 318.377 2.748 20 5 DFBDLO O=[N+]([O-])c1c(F)cccc1N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000301651827 427812296 /nfs/dbraw/zinc/81/22/96/427812296.db2.gz SORNHTZVIJADTL-LBPRGKRZSA-N 1 2 303.293 2.787 20 5 DFBDLO COc1cccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1[N+](=O)[O-] ZINC000337260192 427825904 /nfs/dbraw/zinc/82/59/04/427825904.db2.gz WGVVOBYBVBPPJR-CYBMUJFWSA-N 1 2 315.329 2.656 20 5 DFBDLO COc1cc(C[N@@H+]2CCOC[C@@H]2CC2CCC2)ccc1[N+](=O)[O-] ZINC000339778916 427828283 /nfs/dbraw/zinc/82/82/83/427828283.db2.gz RPYNXSLMJDIDLY-HNNXBMFYSA-N 1 2 320.389 2.994 20 5 DFBDLO COc1cc(C[N@H+]2CCOC[C@@H]2CC2CCC2)ccc1[N+](=O)[O-] ZINC000339778916 427828285 /nfs/dbraw/zinc/82/82/85/427828285.db2.gz RPYNXSLMJDIDLY-HNNXBMFYSA-N 1 2 320.389 2.994 20 5 DFBDLO C[N@H+](CCOc1ccccc1F)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000349643430 427836998 /nfs/dbraw/zinc/83/69/98/427836998.db2.gz YCFOCUSDNDNDTA-UHFFFAOYSA-N 1 2 320.320 2.950 20 5 DFBDLO C[N@@H+](CCOc1ccccc1F)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000349643430 427837001 /nfs/dbraw/zinc/83/70/01/427837001.db2.gz YCFOCUSDNDNDTA-UHFFFAOYSA-N 1 2 320.320 2.950 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000359543408 427902103 /nfs/dbraw/zinc/90/21/03/427902103.db2.gz UVJMSZBBCSWIIG-HNNXBMFYSA-N 1 2 320.320 2.566 20 5 DFBDLO CC1(c2noc(-c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)n2)CC1 ZINC000351174620 428027435 /nfs/dbraw/zinc/02/74/35/428027435.db2.gz MPEDRHVQAIWHCV-UHFFFAOYSA-N 1 2 311.301 2.882 20 5 DFBDLO Cc1cccc(CCNc2nc3sccn3c2[N+](=O)[O-])[nH+]1 ZINC000359834363 428037424 /nfs/dbraw/zinc/03/74/24/428037424.db2.gz TXXAHHCNRADIHX-UHFFFAOYSA-N 1 2 303.347 2.662 20 5 DFBDLO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000376782891 427996874 /nfs/dbraw/zinc/99/68/74/427996874.db2.gz OGCINAQMAFJCFC-LLVKDONJSA-N 1 2 306.391 2.899 20 5 DFBDLO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000376782891 427996880 /nfs/dbraw/zinc/99/68/80/427996880.db2.gz OGCINAQMAFJCFC-LLVKDONJSA-N 1 2 306.391 2.899 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000369878503 428081802 /nfs/dbraw/zinc/08/18/02/428081802.db2.gz ROCCTSKZRMRAIN-ZBFHGGJFSA-N 1 2 324.352 2.504 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000369878503 428081808 /nfs/dbraw/zinc/08/18/08/428081808.db2.gz ROCCTSKZRMRAIN-ZBFHGGJFSA-N 1 2 324.352 2.504 20 5 DFBDLO Cc1ccc([C@@H]2CCCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000370046349 428118753 /nfs/dbraw/zinc/11/87/53/428118753.db2.gz QVABCOKFVMKITG-LBPRGKRZSA-N 1 2 304.350 2.957 20 5 DFBDLO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000370046349 428118756 /nfs/dbraw/zinc/11/87/56/428118756.db2.gz QVABCOKFVMKITG-LBPRGKRZSA-N 1 2 304.350 2.957 20 5 DFBDLO Cc1cccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000346415026 428163492 /nfs/dbraw/zinc/16/34/92/428163492.db2.gz ANYUGQODZYKDGI-UHFFFAOYSA-N 1 2 312.373 2.620 20 5 DFBDLO CC(C)CCOCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352707757 428215625 /nfs/dbraw/zinc/21/56/25/428215625.db2.gz SPWCNLDLNZMHGZ-UHFFFAOYSA-N 1 2 308.378 2.852 20 5 DFBDLO CC(C)CCOCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352707757 428215630 /nfs/dbraw/zinc/21/56/30/428215630.db2.gz SPWCNLDLNZMHGZ-UHFFFAOYSA-N 1 2 308.378 2.852 20 5 DFBDLO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1c([N+](=O)[O-])ncn1C)CCC2 ZINC000377967839 428272640 /nfs/dbraw/zinc/27/26/40/428272640.db2.gz SBKWGCLKDOXIAA-LLVKDONJSA-N 1 2 321.406 2.603 20 5 DFBDLO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1c([N+](=O)[O-])ncn1C)CCC2 ZINC000377967839 428272645 /nfs/dbraw/zinc/27/26/45/428272645.db2.gz SBKWGCLKDOXIAA-LLVKDONJSA-N 1 2 321.406 2.603 20 5 DFBDLO O=[N+]([O-])c1ccc(-c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)[nH]1 ZINC000356635939 428261713 /nfs/dbraw/zinc/26/17/13/428261713.db2.gz BVKAAOGUWOPXEO-UHFFFAOYSA-N 1 2 322.284 2.826 20 5 DFBDLO Cc1ccc2[nH+]c(CNC(=O)c3cccc(C)c3[N+](=O)[O-])cn2c1 ZINC000342146287 428320919 /nfs/dbraw/zinc/32/09/19/428320919.db2.gz DNNRBFGOSZSJQU-UHFFFAOYSA-N 1 2 324.340 2.789 20 5 DFBDLO Cc1ccc2[nH+]c(CNC(=O)c3ccc([N+](=O)[O-])c(C)c3)cn2c1 ZINC000342173020 428331788 /nfs/dbraw/zinc/33/17/88/428331788.db2.gz NNZXRXOPPKSHHM-UHFFFAOYSA-N 1 2 324.340 2.789 20 5 DFBDLO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378411914 428389750 /nfs/dbraw/zinc/38/97/50/428389750.db2.gz XNUYFWDJFAPIRE-HSBSLETESA-N 1 2 312.329 2.695 20 5 DFBDLO Cn1ccnc1[C@H]([NH2+][C@@H]1CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000353616931 428623009 /nfs/dbraw/zinc/62/30/09/428623009.db2.gz BZSIJCLVNQFBAU-ZIAGYGMSSA-N 1 2 300.362 2.806 20 5 DFBDLO Cn1ccnc1[C@@H]([NH2+][C@H]1CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000353616928 428623554 /nfs/dbraw/zinc/62/35/54/428623554.db2.gz BZSIJCLVNQFBAU-KBPBESRZSA-N 1 2 300.362 2.806 20 5 DFBDLO CC1(C)[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC000344626715 428682956 /nfs/dbraw/zinc/68/29/56/428682956.db2.gz KTKOHNYFZNPKCR-CFVMTHIKSA-N 1 2 306.362 2.594 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(N(C)C)[nH+]c2)n1 ZINC000359088514 428810726 /nfs/dbraw/zinc/81/07/26/428810726.db2.gz ZIMMOHNBATUQIF-UHFFFAOYSA-N 1 2 301.350 2.680 20 5 DFBDLO O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccccc1-n1cc[nH+]c1 ZINC000359099750 428816169 /nfs/dbraw/zinc/81/61/69/428816169.db2.gz GEGUBMQUMFLTLN-UHFFFAOYSA-N 1 2 322.324 2.962 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000359099275 428816812 /nfs/dbraw/zinc/81/68/12/428816812.db2.gz UYDPLJHEMPHERM-CQSZACIVSA-N 1 2 314.345 2.659 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)cs1 ZINC000411934774 428887993 /nfs/dbraw/zinc/88/79/93/428887993.db2.gz HUBILEKWNLLYSM-UONOGXRCSA-N 1 2 304.371 2.964 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)cs1 ZINC000411934774 428887998 /nfs/dbraw/zinc/88/79/98/428887998.db2.gz HUBILEKWNLLYSM-UONOGXRCSA-N 1 2 304.371 2.964 20 5 DFBDLO O=[N+]([O-])c1cnc(N[C@@H]2CCCN(c3cccc[nH+]3)C2)s1 ZINC000375597473 428920562 /nfs/dbraw/zinc/92/05/62/428920562.db2.gz KRWVUNDVOZPPMA-SNVBAGLBSA-N 1 2 305.363 2.527 20 5 DFBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOC[C@@H]2c2ccco2)cc1 ZINC000375795484 428976851 /nfs/dbraw/zinc/97/68/51/428976851.db2.gz RLLKNEMHVRTWTH-OAHLLOKOSA-N 1 2 302.330 2.804 20 5 DFBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCOC[C@@H]2c2ccco2)cc1 ZINC000375795484 428976857 /nfs/dbraw/zinc/97/68/57/428976857.db2.gz RLLKNEMHVRTWTH-OAHLLOKOSA-N 1 2 302.330 2.804 20 5 DFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000433020423 428981229 /nfs/dbraw/zinc/98/12/29/428981229.db2.gz CIORYXGZUKFCJD-AYTFZUPSSA-N 1 2 322.430 2.699 20 5 DFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000433020423 428981234 /nfs/dbraw/zinc/98/12/34/428981234.db2.gz CIORYXGZUKFCJD-AYTFZUPSSA-N 1 2 322.430 2.699 20 5 DFBDLO O=[N+]([O-])c1ccc(N2CCC[C@H]2c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000364036359 429161329 /nfs/dbraw/zinc/16/13/29/429161329.db2.gz SIDWFSJHOGHRMM-NSHDSACASA-N 1 2 303.278 2.568 20 5 DFBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC=C(C)C2)c([N+](=O)[O-])c1 ZINC000436263476 429190874 /nfs/dbraw/zinc/19/08/74/429190874.db2.gz UKTDRLQFCQQBOE-GFCCVEGCSA-N 1 2 319.361 2.582 20 5 DFBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC=C(C)C2)c([N+](=O)[O-])c1 ZINC000436263476 429190878 /nfs/dbraw/zinc/19/08/78/429190878.db2.gz UKTDRLQFCQQBOE-GFCCVEGCSA-N 1 2 319.361 2.582 20 5 DFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000456351115 429286286 /nfs/dbraw/zinc/28/62/86/429286286.db2.gz KNAKHIVNJGJNKC-GFCCVEGCSA-N 1 2 316.361 2.621 20 5 DFBDLO CN(C)c1[nH+]cccc1NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491306536 429345916 /nfs/dbraw/zinc/34/59/16/429345916.db2.gz SFWARAWBWAFIMO-HJWRWDBZSA-N 1 2 312.329 2.708 20 5 DFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425505724 429312150 /nfs/dbraw/zinc/31/21/50/429312150.db2.gz YYUVQPJVTPYEQP-CYBMUJFWSA-N 1 2 321.768 2.677 20 5 DFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425505724 429312155 /nfs/dbraw/zinc/31/21/55/429312155.db2.gz YYUVQPJVTPYEQP-CYBMUJFWSA-N 1 2 321.768 2.677 20 5 DFBDLO O=[N+]([O-])c1cnc(N2CCC(c3c[nH]c[nH+]3)CC2)c(Cl)c1 ZINC000365876491 429394485 /nfs/dbraw/zinc/39/44/85/429394485.db2.gz BXZKQUUAVVPPJN-UHFFFAOYSA-N 1 2 307.741 2.750 20 5 DFBDLO O=[N+]([O-])c1cnc(N2CCC(c3c[nH+]c[nH]3)CC2)c(Cl)c1 ZINC000365876491 429394489 /nfs/dbraw/zinc/39/44/89/429394489.db2.gz BXZKQUUAVVPPJN-UHFFFAOYSA-N 1 2 307.741 2.750 20 5 DFBDLO Cc1sc(C(=O)NCc2c[nH+]c(C)cc2C)cc1[N+](=O)[O-] ZINC000456841643 429354306 /nfs/dbraw/zinc/35/43/06/429354306.db2.gz FQDLIYSISQOWPM-UHFFFAOYSA-N 1 2 305.359 2.907 20 5 DFBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000449218930 429361441 /nfs/dbraw/zinc/36/14/41/429361441.db2.gz BFLNHPFINMFIOP-VXGBXAGGSA-N 1 2 308.378 2.846 20 5 DFBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1noc(C2CC2)n1 ZINC000449300928 429382435 /nfs/dbraw/zinc/38/24/35/429382435.db2.gz QDNYWCIIRAATJO-JTQLQIEISA-N 1 2 302.334 2.576 20 5 DFBDLO COC(=O)[C@@H](CC(C)C)[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000449431354 429415208 /nfs/dbraw/zinc/41/52/08/429415208.db2.gz XVJUJLOBACHKKE-OAHLLOKOSA-N 1 2 308.378 2.923 20 5 DFBDLO COC(=O)[C@@H](CC(C)C)[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000449431354 429415212 /nfs/dbraw/zinc/41/52/12/429415212.db2.gz XVJUJLOBACHKKE-OAHLLOKOSA-N 1 2 308.378 2.923 20 5 DFBDLO CCCn1ccnc1-c1cccc(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000366141634 429423650 /nfs/dbraw/zinc/42/36/50/429423650.db2.gz BYBDHQFNPNGQHS-UONOGXRCSA-N 1 2 314.345 2.564 20 5 DFBDLO CCCn1cc[nH+]c1-c1cccc(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000366141634 429423654 /nfs/dbraw/zinc/42/36/54/429423654.db2.gz BYBDHQFNPNGQHS-UONOGXRCSA-N 1 2 314.345 2.564 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000449458715 429425309 /nfs/dbraw/zinc/42/53/09/429425309.db2.gz WNTQICANSCSXJP-UAGQMJEPSA-N 1 2 320.389 2.816 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000449458715 429425310 /nfs/dbraw/zinc/42/53/10/429425310.db2.gz WNTQICANSCSXJP-UAGQMJEPSA-N 1 2 320.389 2.816 20 5 DFBDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000366579672 429481559 /nfs/dbraw/zinc/48/15/59/429481559.db2.gz RKKHNDCEPIMGHK-WBMJQRKESA-N 1 2 324.352 2.504 20 5 DFBDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000366579672 429481564 /nfs/dbraw/zinc/48/15/64/429481564.db2.gz RKKHNDCEPIMGHK-WBMJQRKESA-N 1 2 324.352 2.504 20 5 DFBDLO Cc1cn2c([nH+]1)[C@H](CNc1nccc(C)c1[N+](=O)[O-])CCC2 ZINC000366689998 429494203 /nfs/dbraw/zinc/49/42/03/429494203.db2.gz TVJSLECKQQWGQW-LBPRGKRZSA-N 1 2 301.350 2.793 20 5 DFBDLO CC(C)[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449918203 429537251 /nfs/dbraw/zinc/53/72/51/429537251.db2.gz HRGVIMDTHSKILQ-LBPRGKRZSA-N 1 2 316.361 2.802 20 5 DFBDLO O=[N+]([O-])c1ccc(NCCc2[nH]c3ccc(F)cc3[nH+]2)cn1 ZINC000428698869 429546458 /nfs/dbraw/zinc/54/64/58/429546458.db2.gz FUMVOAXZJSVNAL-UHFFFAOYSA-N 1 2 301.281 2.660 20 5 DFBDLO CC(C)[C@H]1CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450637368 429667359 /nfs/dbraw/zinc/66/73/59/429667359.db2.gz QEWVCMSKUXKKGX-CYBMUJFWSA-N 1 2 314.345 2.651 20 5 DFBDLO Cc1[nH+]c2ccc(C(=O)NCc3cccc([N+](=O)[O-])c3)cc2n1C ZINC000526005704 429694639 /nfs/dbraw/zinc/69/46/39/429694639.db2.gz NSBWBSGJRHRKFI-UHFFFAOYSA-N 1 2 324.340 2.720 20 5 DFBDLO CC[C@@H]1C[N@H+](CCNc2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000432146802 429805114 /nfs/dbraw/zinc/80/51/14/429805114.db2.gz CUWRXONENXYLSY-LLVKDONJSA-N 1 2 313.785 2.771 20 5 DFBDLO CC[C@@H]1C[N@@H+](CCNc2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000432146802 429805119 /nfs/dbraw/zinc/80/51/19/429805119.db2.gz CUWRXONENXYLSY-LLVKDONJSA-N 1 2 313.785 2.771 20 5 DFBDLO CCOc1cc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000493547068 429784352 /nfs/dbraw/zinc/78/43/52/429784352.db2.gz NPNAZOAVVKZJOB-AVGNSLFASA-N 1 2 308.378 2.991 20 5 DFBDLO CCOc1cc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000493547068 429784354 /nfs/dbraw/zinc/78/43/54/429784354.db2.gz NPNAZOAVVKZJOB-AVGNSLFASA-N 1 2 308.378 2.991 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(CF)CC1 ZINC000451389697 429821899 /nfs/dbraw/zinc/82/18/99/429821899.db2.gz WEIRSGNSEUKBRW-UHFFFAOYSA-N 1 2 309.341 2.523 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+](CCO)Cc2cccc(F)c2)c(F)c1 ZINC000494253231 429862657 /nfs/dbraw/zinc/86/26/57/429862657.db2.gz GECKOZKWUHZCPH-UHFFFAOYSA-N 1 2 322.311 2.868 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+](CCO)Cc2cccc(F)c2)c(F)c1 ZINC000494253231 429862659 /nfs/dbraw/zinc/86/26/59/429862659.db2.gz GECKOZKWUHZCPH-UHFFFAOYSA-N 1 2 322.311 2.868 20 5 DFBDLO Cc1ccccc1[C@]1(F)CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000369225305 429920652 /nfs/dbraw/zinc/92/06/52/429920652.db2.gz OQIABBMDYIEQFE-INIZCTEOSA-N 1 2 318.352 2.707 20 5 DFBDLO Cc1ccccc1[C@]1(F)CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000369225305 429920653 /nfs/dbraw/zinc/92/06/53/429920653.db2.gz OQIABBMDYIEQFE-INIZCTEOSA-N 1 2 318.352 2.707 20 5 DFBDLO Cc1cc(CNc2ccc([N+](=O)[O-])c(OC(C)C)n2)cc(C)[nH+]1 ZINC000577389161 430113591 /nfs/dbraw/zinc/11/35/91/430113591.db2.gz WJMRLJZFBYSTAJ-UHFFFAOYSA-N 1 2 316.361 3.401 20 5 DFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000583574907 430407685 /nfs/dbraw/zinc/40/76/85/430407685.db2.gz MJFJUINCEHYVOD-SECBINFHSA-N 1 2 320.374 2.921 20 5 DFBDLO CC(C)(NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1[nH]cc[nH+]1 ZINC000583999316 430449550 /nfs/dbraw/zinc/44/95/50/430449550.db2.gz DRKPSGFXLWVHFN-UHFFFAOYSA-N 1 2 322.752 2.565 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000569546804 430463028 /nfs/dbraw/zinc/46/30/28/430463028.db2.gz YQRWIUWTJOMIKT-JTQLQIEISA-N 1 2 301.350 2.750 20 5 DFBDLO C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)c1[nH]cc[nH+]1 ZINC000590568103 430486574 /nfs/dbraw/zinc/48/65/74/430486574.db2.gz PVPQKEQYKFUHRC-LLVKDONJSA-N 1 2 309.329 3.553 20 5 DFBDLO CC(C)(CNc1nc2ccccc2cc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000601198351 430538439 /nfs/dbraw/zinc/53/84/39/430538439.db2.gz WOEYGTMFDSWIAY-UHFFFAOYSA-N 1 2 311.345 3.187 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3C[C@@H]4CC[C@H](O)C[C@H]4C3)c2c1 ZINC000572463119 430687779 /nfs/dbraw/zinc/68/77/79/430687779.db2.gz DAFFQPLOLLAPLQ-YDHLFZDLSA-N 1 2 313.357 2.740 20 5 DFBDLO Cc1cn2c([nH+]1)[C@H](CNc1ncc([N+](=O)[O-])cc1F)CCC2 ZINC000572462552 430687986 /nfs/dbraw/zinc/68/79/86/430687986.db2.gz IQGVATWXIRETKU-JTQLQIEISA-N 1 2 305.313 2.623 20 5 DFBDLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000267591776 279815807 /nfs/dbraw/zinc/81/58/07/279815807.db2.gz DABNJJOSEJQYTH-RYUDHWBXSA-N 1 2 314.345 2.509 20 5 DFBDLO C[C@@H]1c2ccccc2C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000361062446 289079846 /nfs/dbraw/zinc/07/98/46/289079846.db2.gz LXXZNUIMHYOVLH-LLVKDONJSA-N 1 2 311.341 2.771 20 5 DFBDLO C[C@@H]1c2ccccc2C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000361062446 289079849 /nfs/dbraw/zinc/07/98/49/289079849.db2.gz LXXZNUIMHYOVLH-LLVKDONJSA-N 1 2 311.341 2.771 20 5 DFBDLO C[C@@]1(F)CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000332225119 289182029 /nfs/dbraw/zinc/18/20/29/289182029.db2.gz NSBJFOFEYBGWJC-OAHLLOKOSA-N 1 2 310.325 2.785 20 5 DFBDLO C[C@@]1(F)CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000332225119 289182030 /nfs/dbraw/zinc/18/20/30/289182030.db2.gz NSBJFOFEYBGWJC-OAHLLOKOSA-N 1 2 310.325 2.785 20 5 DFBDLO O=[N+]([O-])c1cn(Cc2[nH+]ccn2-c2ccccc2)nc1C1CC1 ZINC000436198117 296991769 /nfs/dbraw/zinc/99/17/69/296991769.db2.gz NIPLNEBUBWFDTR-UHFFFAOYSA-N 1 2 309.329 2.903 20 5 DFBDLO CC(C)CO[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444649813 297243399 /nfs/dbraw/zinc/24/33/99/297243399.db2.gz NBEZDIICHNYDJR-ZDUSSCGKSA-N 1 2 318.377 2.718 20 5 DFBDLO CC(C)CO[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444649813 297243401 /nfs/dbraw/zinc/24/34/01/297243401.db2.gz NBEZDIICHNYDJR-ZDUSSCGKSA-N 1 2 318.377 2.718 20 5 DFBDLO C[C@@]1(C[NH+]=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCO[C@@H]1C1CC1 ZINC000447675038 297312769 /nfs/dbraw/zinc/31/27/69/297312769.db2.gz JREFGBXDANPYMK-ZBFHGGJFSA-N 1 2 316.361 2.510 20 5 DFBDLO CC(C)=CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447802332 297317700 /nfs/dbraw/zinc/31/77/00/297317700.db2.gz JTYBLMKXEBMJIK-UHFFFAOYSA-N 1 2 305.378 2.805 20 5 DFBDLO CCC(CC)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448910044 297380122 /nfs/dbraw/zinc/38/01/22/297380122.db2.gz KMDDINYCTYYQAR-UHFFFAOYSA-N 1 2 316.361 2.947 20 5 DFBDLO CCN(CC1CC1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448971082 297384970 /nfs/dbraw/zinc/38/49/70/297384970.db2.gz SFJCVKOIOHDSIP-UHFFFAOYSA-N 1 2 314.345 2.653 20 5 DFBDLO C[C@H]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000449921076 297559823 /nfs/dbraw/zinc/55/98/23/297559823.db2.gz DXVYGYPYMPPAHB-RYUDHWBXSA-N 1 2 314.345 2.651 20 5 DFBDLO O=C(N[C@H]1C=CCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450108412 297587459 /nfs/dbraw/zinc/58/74/59/297587459.db2.gz VMNQFBGZAICQPM-ZDUSSCGKSA-N 1 2 312.329 2.619 20 5 DFBDLO C[C@@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)c2[nH+]ccn21 ZINC000454338054 298157791 /nfs/dbraw/zinc/15/77/91/298157791.db2.gz WJNOGPLDWRRHGR-PELKAZGASA-N 1 2 319.296 2.758 20 5 DFBDLO C[C@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000454339137 298158433 /nfs/dbraw/zinc/15/84/33/298158433.db2.gz XKOXHMHIKMOEJE-CABZTGNLSA-N 1 2 301.306 2.619 20 5 DFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000456407325 298520751 /nfs/dbraw/zinc/52/07/51/298520751.db2.gz YLKFKBMSZMQCBR-VIFPVBQESA-N 1 2 322.752 2.956 20 5 DFBDLO Cc1cc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c(C)c[nH+]1 ZINC000535748798 301258166 /nfs/dbraw/zinc/25/81/66/301258166.db2.gz DFCPITCKUMVPER-UHFFFAOYSA-N 1 2 324.340 2.622 20 5 DFBDLO O=C(NCCCCn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])cc1F ZINC000543642391 301433349 /nfs/dbraw/zinc/43/33/49/301433349.db2.gz OPAWNEUEHSSVCO-UHFFFAOYSA-N 1 2 321.312 2.532 20 5 DFBDLO COC(=O)CC1([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CCCCC1 ZINC000555417101 301768524 /nfs/dbraw/zinc/76/85/24/301768524.db2.gz UKCSCWCONBSIFV-UHFFFAOYSA-N 1 2 322.361 2.656 20 5 DFBDLO Cc1ccnc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000134043929 302273701 /nfs/dbraw/zinc/27/37/01/302273701.db2.gz WVBWYMCKOHHHBM-DGCLKSJQSA-N 1 2 301.350 2.582 20 5 DFBDLO Cc1c[nH]c(C(C)(C)NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000566365456 302282525 /nfs/dbraw/zinc/28/25/25/302282525.db2.gz VAOVFGMVQRVUOJ-NSHDSACASA-N 1 2 316.361 2.781 20 5 DFBDLO Cc1cnc(N2CCc3c([nH+]c(C(C)C)n3C)C2)c([N+](=O)[O-])c1 ZINC000266191200 302353061 /nfs/dbraw/zinc/35/30/61/302353061.db2.gz GGDGBESXDZNDPV-UHFFFAOYSA-N 1 2 315.377 2.718 20 5 DFBDLO O=C(c1ccc2[nH+]ccn2c1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000172425759 315948964 /nfs/dbraw/zinc/94/89/64/315948964.db2.gz YWZOVBFEIFRBFB-UHFFFAOYSA-N 1 2 322.324 2.836 20 5 DFBDLO CCOC(=O)[C@H](CC(C)C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000180974191 316048248 /nfs/dbraw/zinc/04/82/48/316048248.db2.gz REXGOKWNTLVKBY-HNNXBMFYSA-N 1 2 308.378 2.705 20 5 DFBDLO Cc1nnc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1C1CC1 ZINC000181813314 316073411 /nfs/dbraw/zinc/07/34/11/316073411.db2.gz OCEXYPQFDCITNJ-LLVKDONJSA-N 1 2 315.377 2.989 20 5 DFBDLO COc1cc[nH+]cc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000183471807 316143158 /nfs/dbraw/zinc/14/31/58/316143158.db2.gz NLANLXOSDGZYLE-SECBINFHSA-N 1 2 319.292 2.880 20 5 DFBDLO Cc1ccc(C[NH2+]Cc2nnc(C3CC3)s2)cc1[N+](=O)[O-] ZINC000414550862 316626222 /nfs/dbraw/zinc/62/62/22/316626222.db2.gz DUXDXUAETLUESN-UHFFFAOYSA-N 1 2 304.375 2.922 20 5 DFBDLO CO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C12CCC2 ZINC000449630676 317045724 /nfs/dbraw/zinc/04/57/24/317045724.db2.gz ILSKTWWXNUXOGM-HUUCEWRRSA-N 1 2 306.362 2.690 20 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/nfs/dbraw/zinc/45/33/41/528453341.db2.gz QDPPDTJLSCYYFW-UHFFFAOYSA-N 1 2 321.421 2.855 20 5 DFBDLO CCN(CCOC)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000299390174 528564425 /nfs/dbraw/zinc/56/44/25/528564425.db2.gz GOLSMNSGIHUSQX-UHFFFAOYSA-N 1 2 316.361 2.833 20 5 DFBDLO CC1(O)CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000179727657 535195543 /nfs/dbraw/zinc/19/55/43/535195543.db2.gz KVLWRENVBWQLNB-UHFFFAOYSA-N 1 2 316.304 2.543 20 5 DFBDLO CC[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CCS1 ZINC000072861645 536158405 /nfs/dbraw/zinc/15/84/05/536158405.db2.gz XCOQRDSTQUQPQX-FZMZJTMJSA-N 1 2 323.418 2.749 20 5 DFBDLO CC[C@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CCS1 ZINC000072861645 536158407 /nfs/dbraw/zinc/15/84/07/536158407.db2.gz XCOQRDSTQUQPQX-FZMZJTMJSA-N 1 2 323.418 2.749 20 5 DFBDLO C[C@H](O)[C@H]1CCCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286542383 219045271 /nfs/dbraw/zinc/04/52/71/219045271.db2.gz ULBCFWWQVOPTAR-LKFCYVNXSA-N 1 2 300.305 2.608 20 5 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Cc1c(C[N@H+](C)Cc2nnc3ccccn32)cccc1[N+](=O)[O-] ZINC000081021306 399202984 /nfs/dbraw/zinc/20/29/84/399202984.db2.gz ZNRSBLDLVXSTSU-UHFFFAOYSA-N 1 2 311.345 2.578 20 5 DFBDLO Cc1c(C[N@@H+](C)Cc2nnc3ccccn32)cccc1[N+](=O)[O-] ZINC000081021306 399202988 /nfs/dbraw/zinc/20/29/88/399202988.db2.gz ZNRSBLDLVXSTSU-UHFFFAOYSA-N 1 2 311.345 2.578 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000342675100 284386871 /nfs/dbraw/zinc/38/68/71/284386871.db2.gz JSQMPLBISLDUDS-LBPRGKRZSA-N 1 2 303.293 2.787 20 5 DFBDLO Cc1c(CC(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)cccc1[N+](=O)[O-] ZINC000283016810 217389479 /nfs/dbraw/zinc/38/94/79/217389479.db2.gz NIAMIECCJBWOPB-HNNXBMFYSA-N 1 2 316.361 2.682 20 5 DFBDLO Cc1nc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)oc1C ZINC000064141775 399217564 /nfs/dbraw/zinc/21/75/64/399217564.db2.gz POIYAVSJANLSPQ-UHFFFAOYSA-N 1 2 316.361 2.522 20 5 DFBDLO O=[N+]([O-])c1cc(F)cnc1NCCCCNc1cccc[nH+]1 ZINC000601111524 399230468 /nfs/dbraw/zinc/23/04/68/399230468.db2.gz VVLKLTNSKSXRAB-UHFFFAOYSA-N 1 2 305.313 2.828 20 5 DFBDLO CCc1nc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cs1 ZINC000601150306 399241888 /nfs/dbraw/zinc/24/18/88/399241888.db2.gz VEWLGRUHXFGVCD-HNNXBMFYSA-N 1 2 321.402 2.611 20 5 DFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285188344 296234400 /nfs/dbraw/zinc/23/44/00/296234400.db2.gz CDMJAGNPKCNVJQ-BBRMVZONSA-N 1 2 306.362 2.537 20 5 DFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285188344 296234402 /nfs/dbraw/zinc/23/44/02/296234402.db2.gz CDMJAGNPKCNVJQ-BBRMVZONSA-N 1 2 306.362 2.537 20 5 DFBDLO C[C@H]1c2cccn2CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000608914529 399300904 /nfs/dbraw/zinc/30/09/04/399300904.db2.gz ROCPPAPAGCNNOL-NSHDSACASA-N 1 2 311.345 2.849 20 5 DFBDLO C[C@H]1c2cccn2CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000608914529 399300908 /nfs/dbraw/zinc/30/09/08/399300908.db2.gz ROCPPAPAGCNNOL-NSHDSACASA-N 1 2 311.345 2.849 20 5 DFBDLO O=[N+]([O-])c1sccc1N1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000609132629 399304574 /nfs/dbraw/zinc/30/45/74/399304574.db2.gz UWBHDYFFYZORFP-LLVKDONJSA-N 1 2 304.375 2.990 20 5 DFBDLO C[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000619175146 399307292 /nfs/dbraw/zinc/30/72/92/399307292.db2.gz BEZJTGFJNJIPGT-LBPRGKRZSA-N 1 2 324.352 2.504 20 5 DFBDLO C[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000619175146 399307295 /nfs/dbraw/zinc/30/72/95/399307295.db2.gz BEZJTGFJNJIPGT-LBPRGKRZSA-N 1 2 324.352 2.504 20 5 DFBDLO COc1ccc(CSc2nc(N)cc(C)[nH+]2)cc1[N+](=O)[O-] ZINC000042153337 183235974 /nfs/dbraw/zinc/23/59/74/183235974.db2.gz ROQUQLSFPFTUEF-UHFFFAOYSA-N 1 2 306.347 2.576 20 5 DFBDLO COC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000344849658 284695903 /nfs/dbraw/zinc/69/59/03/284695903.db2.gz UWGJFEPWJBKOGN-ZDUSSCGKSA-N 1 2 306.318 2.679 20 5 DFBDLO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000619531918 399358513 /nfs/dbraw/zinc/35/85/13/399358513.db2.gz AUOOYHJTDJPHBA-AWEZNQCLSA-N 1 2 322.361 2.521 20 5 DFBDLO COC(=O)[C@@H]1CCCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000619531918 399358514 /nfs/dbraw/zinc/35/85/14/399358514.db2.gz AUOOYHJTDJPHBA-AWEZNQCLSA-N 1 2 322.361 2.521 20 5 DFBDLO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000619531919 399358618 /nfs/dbraw/zinc/35/86/18/399358618.db2.gz AUOOYHJTDJPHBA-CQSZACIVSA-N 1 2 322.361 2.521 20 5 DFBDLO COC(=O)[C@H]1CCCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000619531919 399358620 /nfs/dbraw/zinc/35/86/20/399358620.db2.gz AUOOYHJTDJPHBA-CQSZACIVSA-N 1 2 322.361 2.521 20 5 DFBDLO Cc1ccc([C@H](C)NC(=O)CCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000610620853 399387401 /nfs/dbraw/zinc/38/74/01/399387401.db2.gz FSRRLFJMDDOAAD-ZDUSSCGKSA-N 1 2 316.361 2.757 20 5 DFBDLO C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000610786774 399406135 /nfs/dbraw/zinc/40/61/35/399406135.db2.gz NWDSYDIHTOCVHM-WBMJQRKESA-N 1 2 316.357 2.555 20 5 DFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC1CCCC1 ZINC000615990657 399409055 /nfs/dbraw/zinc/40/90/55/399409055.db2.gz JIVOFOPEKXXEHT-UHFFFAOYSA-N 1 2 305.378 2.782 20 5 DFBDLO Cn1cc(C[N@@H+]2CCSC[C@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602442920 399445451 /nfs/dbraw/zinc/44/54/51/399445451.db2.gz ZECCSDHNKUSSBY-AWEZNQCLSA-N 1 2 318.402 2.618 20 5 DFBDLO Cn1cc(C[N@H+]2CCSC[C@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602442920 399445453 /nfs/dbraw/zinc/44/54/53/399445453.db2.gz ZECCSDHNKUSSBY-AWEZNQCLSA-N 1 2 318.402 2.618 20 5 DFBDLO O=[N+]([O-])c1ccsc1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000611412169 399472647 /nfs/dbraw/zinc/47/26/47/399472647.db2.gz KFZLIGZIDSLVSI-UHFFFAOYSA-N 1 2 324.431 2.825 20 5 DFBDLO O=[N+]([O-])c1ccsc1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000611412169 399472649 /nfs/dbraw/zinc/47/26/49/399472649.db2.gz KFZLIGZIDSLVSI-UHFFFAOYSA-N 1 2 324.431 2.825 20 5 DFBDLO COCc1nc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cs1 ZINC000294469558 224043801 /nfs/dbraw/zinc/04/38/01/224043801.db2.gz WPAKDVWEHFWGMK-VIFPVBQESA-N 1 2 322.390 2.631 20 5 DFBDLO C[C@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1F ZINC000611501717 399483238 /nfs/dbraw/zinc/48/32/38/399483238.db2.gz HMSLTNBXKQNWEU-GWCFXTLKSA-N 1 2 320.324 2.825 20 5 DFBDLO C[C@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1F ZINC000611501717 399483240 /nfs/dbraw/zinc/48/32/40/399483240.db2.gz HMSLTNBXKQNWEU-GWCFXTLKSA-N 1 2 320.324 2.825 20 5 DFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611502205 399483427 /nfs/dbraw/zinc/48/34/27/399483427.db2.gz PHKILPOQTPCXKQ-GYSYKLTISA-N 1 2 309.341 2.602 20 5 DFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611502205 399483429 /nfs/dbraw/zinc/48/34/29/399483429.db2.gz PHKILPOQTPCXKQ-GYSYKLTISA-N 1 2 309.341 2.602 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](OC(F)F)C2)c(F)c1 ZINC000611576751 399495715 /nfs/dbraw/zinc/49/57/15/399495715.db2.gz DLHNGFZPSMOLIX-NSHDSACASA-N 1 2 304.268 2.938 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](OC(F)F)C2)c(F)c1 ZINC000611576751 399495718 /nfs/dbraw/zinc/49/57/18/399495718.db2.gz DLHNGFZPSMOLIX-NSHDSACASA-N 1 2 304.268 2.938 20 5 DFBDLO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000611576489 399495784 /nfs/dbraw/zinc/49/57/84/399495784.db2.gz OUJVEPSHTIKWSR-AWEZNQCLSA-N 1 2 322.361 2.521 20 5 DFBDLO COC(=O)[C@@H]1CCCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000611576489 399495789 /nfs/dbraw/zinc/49/57/89/399495789.db2.gz OUJVEPSHTIKWSR-AWEZNQCLSA-N 1 2 322.361 2.521 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611579903 399496305 /nfs/dbraw/zinc/49/63/05/399496305.db2.gz YHSWQXVRARMJBN-VIFPVBQESA-N 1 2 304.268 2.938 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611579903 399496309 /nfs/dbraw/zinc/49/63/09/399496309.db2.gz YHSWQXVRARMJBN-VIFPVBQESA-N 1 2 304.268 2.938 20 5 DFBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCOC[C@H]3C3CCC3)nc2c1 ZINC000602696275 399524515 /nfs/dbraw/zinc/52/45/15/399524515.db2.gz KQPRFDVYNPOTHK-AWEZNQCLSA-N 1 2 317.345 2.737 20 5 DFBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCOC[C@H]3C3CCC3)nc2c1 ZINC000602696275 399524518 /nfs/dbraw/zinc/52/45/18/399524518.db2.gz KQPRFDVYNPOTHK-AWEZNQCLSA-N 1 2 317.345 2.737 20 5 DFBDLO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCCc2cccnc21 ZINC000365015018 285093523 /nfs/dbraw/zinc/09/35/23/285093523.db2.gz AUGWGULUDVGIAF-ZDUSSCGKSA-N 1 2 315.377 2.623 20 5 DFBDLO CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCCc2cccnc21 ZINC000365015018 285093526 /nfs/dbraw/zinc/09/35/26/285093526.db2.gz AUGWGULUDVGIAF-ZDUSSCGKSA-N 1 2 315.377 2.623 20 5 DFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCc1[nH]cc[nH+]1 ZINC000602732157 399545790 /nfs/dbraw/zinc/54/57/90/399545790.db2.gz PAOBZZGKENSYEZ-UHFFFAOYSA-N 1 2 300.240 2.627 20 5 DFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]Cc1ncc[nH]1 ZINC000602732157 399545793 /nfs/dbraw/zinc/54/57/93/399545793.db2.gz PAOBZZGKENSYEZ-UHFFFAOYSA-N 1 2 300.240 2.627 20 5 DFBDLO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)c1ccc(C)o1 ZINC000347639472 285107594 /nfs/dbraw/zinc/10/75/94/285107594.db2.gz QGWDMNHBIRVMND-ZDUSSCGKSA-N 1 2 320.345 2.982 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H](O)C3(CC3)C2)c(C(F)(F)F)c1 ZINC000364315726 285114418 /nfs/dbraw/zinc/11/44/18/285114418.db2.gz KLFNGAZZUATUKV-LBPRGKRZSA-N 1 2 316.279 2.570 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](O)C3(CC3)C2)c(C(F)(F)F)c1 ZINC000364315726 285114421 /nfs/dbraw/zinc/11/44/21/285114421.db2.gz KLFNGAZZUATUKV-LBPRGKRZSA-N 1 2 316.279 2.570 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H](O)C3(CC3)C2)c(C(F)(F)F)c1 ZINC000364315725 285114435 /nfs/dbraw/zinc/11/44/35/285114435.db2.gz KLFNGAZZUATUKV-GFCCVEGCSA-N 1 2 316.279 2.570 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)c(C(F)(F)F)c1 ZINC000364315725 285114437 /nfs/dbraw/zinc/11/44/37/285114437.db2.gz KLFNGAZZUATUKV-GFCCVEGCSA-N 1 2 316.279 2.570 20 5 DFBDLO COCC[C@@H]1COCC[N@@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000365814212 285153254 /nfs/dbraw/zinc/15/32/54/285153254.db2.gz QRXMJJPLZYEFPU-OAHLLOKOSA-N 1 2 322.405 2.956 20 5 DFBDLO COCC[C@@H]1COCC[N@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000365814212 285153256 /nfs/dbraw/zinc/15/32/56/285153256.db2.gz QRXMJJPLZYEFPU-OAHLLOKOSA-N 1 2 322.405 2.956 20 5 DFBDLO Cc1csc(C2([NH2+]Cc3cn(C)nc3[N+](=O)[O-])CCCC2)n1 ZINC000602793816 399577178 /nfs/dbraw/zinc/57/71/78/399577178.db2.gz RLYAPCADRGABBF-UHFFFAOYSA-N 1 2 321.406 2.652 20 5 DFBDLO Cc1cccc(C(=O)N2CCC(n3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000120312046 195141626 /nfs/dbraw/zinc/14/16/26/195141626.db2.gz FSAOSLULSLJDCD-UHFFFAOYSA-N 1 2 314.345 2.577 20 5 DFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(C2CCC2)no1 ZINC000602822397 399588687 /nfs/dbraw/zinc/58/86/87/399588687.db2.gz CUKLLMAAYXUBAM-UHFFFAOYSA-N 1 2 316.361 2.920 20 5 DFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(C2CCC2)no1 ZINC000602822397 399588691 /nfs/dbraw/zinc/58/86/91/399588691.db2.gz CUKLLMAAYXUBAM-UHFFFAOYSA-N 1 2 316.361 2.920 20 5 DFBDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000155021232 197014009 /nfs/dbraw/zinc/01/40/09/197014009.db2.gz ZLHRTJLNBSUDPM-UHFFFAOYSA-N 1 2 322.752 2.607 20 5 DFBDLO CC(C)C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000120779727 195235846 /nfs/dbraw/zinc/23/58/46/195235846.db2.gz VJPVUUALQBUUIW-LBPRGKRZSA-N 1 2 316.361 2.945 20 5 DFBDLO COc1cc(C[N@@H+]2CCC[C@@H]2c2ncccn2)ccc1[N+](=O)[O-] ZINC000602899244 399620271 /nfs/dbraw/zinc/62/02/71/399620271.db2.gz ORUXZXGWLHEWRM-CQSZACIVSA-N 1 2 314.345 2.731 20 5 DFBDLO COc1cc(C[N@H+]2CCC[C@@H]2c2ncccn2)ccc1[N+](=O)[O-] ZINC000602899244 399620275 /nfs/dbraw/zinc/62/02/75/399620275.db2.gz ORUXZXGWLHEWRM-CQSZACIVSA-N 1 2 314.345 2.731 20 5 DFBDLO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1nc(C(C)(C)C)cs1 ZINC000348046583 285315964 /nfs/dbraw/zinc/31/59/64/285315964.db2.gz SDQKROCFYGHILS-VIFPVBQESA-N 1 2 323.422 2.933 20 5 DFBDLO Cc1cc(Cl)c(C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000294896011 224292775 /nfs/dbraw/zinc/29/27/75/224292775.db2.gz RFGHSUKZNNNSJG-JTQLQIEISA-N 1 2 322.752 2.572 20 5 DFBDLO Cc1ccc([C@@H](C)[NH2+]Cc2cn(C(C)C)nn2)cc1[N+](=O)[O-] ZINC000289871939 221282709 /nfs/dbraw/zinc/28/27/09/221282709.db2.gz WNMUECSLEQPMDP-GFCCVEGCSA-N 1 2 303.366 2.926 20 5 DFBDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CCC1(F)F ZINC000289973349 221353951 /nfs/dbraw/zinc/35/39/51/221353951.db2.gz XFNHHVMGIFUKGS-SNVBAGLBSA-N 1 2 313.304 2.510 20 5 DFBDLO C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CCC1(F)F ZINC000289973349 221353954 /nfs/dbraw/zinc/35/39/54/221353954.db2.gz XFNHHVMGIFUKGS-SNVBAGLBSA-N 1 2 313.304 2.510 20 5 DFBDLO C[C@@](CO)([NH2+]Cc1ccc(Cl)cn1)c1cccc([N+](=O)[O-])c1 ZINC000602963692 399641404 /nfs/dbraw/zinc/64/14/04/399641404.db2.gz YMYSLEJYHPBADT-HNNXBMFYSA-N 1 2 321.764 2.641 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(C)(F)CC1 ZINC000602992651 399652693 /nfs/dbraw/zinc/65/26/93/399652693.db2.gz BMCGADNZBCIHDF-UHFFFAOYSA-N 1 2 309.341 2.666 20 5 DFBDLO O=[N+]([O-])c1cccc2ncnc(N3CCC[C@H](n4cc[nH+]c4)C3)c21 ZINC000612443111 399654112 /nfs/dbraw/zinc/65/41/12/399654112.db2.gz BYCVYTJJMJBWCE-LBPRGKRZSA-N 1 2 324.344 2.576 20 5 DFBDLO O=[N+]([O-])c1cccc2ncnc(N3CCC[C@@H](n4cc[nH+]c4)C3)c21 ZINC000612443110 399654247 /nfs/dbraw/zinc/65/42/47/399654247.db2.gz BYCVYTJJMJBWCE-GFCCVEGCSA-N 1 2 324.344 2.576 20 5 DFBDLO COc1nccnc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000295851802 533284880 /nfs/dbraw/zinc/28/48/80/533284880.db2.gz WLASRPWNORQPNX-LLVKDONJSA-N 1 2 302.334 2.553 20 5 DFBDLO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)C(F)F ZINC000603428349 399774319 /nfs/dbraw/zinc/77/43/19/399774319.db2.gz IOBNFOIWISGMNZ-BDAKNGLRSA-N 1 2 301.293 2.555 20 5 DFBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299548703 132110321 /nfs/dbraw/zinc/11/03/21/132110321.db2.gz QEUHEGAEFGUWAF-UHFFFAOYSA-N 1 2 315.333 2.729 20 5 DFBDLO COc1ccnc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000424311680 296501223 /nfs/dbraw/zinc/50/12/23/296501223.db2.gz UXVHIGGPHWKDCD-CQSZACIVSA-N 1 2 314.345 2.561 20 5 DFBDLO COCC[N@H+](Cc1ccco1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276312014 542977390 /nfs/dbraw/zinc/97/73/90/542977390.db2.gz MNZDJUCZWVYZPG-UHFFFAOYSA-N 1 2 308.309 2.976 20 5 DFBDLO COCC[N@@H+](Cc1ccco1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276312014 542977393 /nfs/dbraw/zinc/97/73/93/542977393.db2.gz MNZDJUCZWVYZPG-UHFFFAOYSA-N 1 2 308.309 2.976 20 5 DFBDLO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccn(C)n1 ZINC000349468695 285869907 /nfs/dbraw/zinc/86/99/07/285869907.db2.gz ZMFUHMYFWZVZGS-CYBMUJFWSA-N 1 2 304.350 2.578 20 5 DFBDLO CC(C)[C@@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172449292 145303589 /nfs/dbraw/zinc/30/35/89/145303589.db2.gz FEXBLNFSJGPHKB-LBPRGKRZSA-N 1 2 316.361 2.802 20 5 DFBDLO O=[N+]([O-])c1c(NCc2ccn3cc[nH+]c3c2)nc2sccn21 ZINC000354385106 147017656 /nfs/dbraw/zinc/01/76/56/147017656.db2.gz KMWJYJRGSHOCTB-UHFFFAOYSA-N 1 2 314.330 2.564 20 5 DFBDLO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000361055379 149019229 /nfs/dbraw/zinc/01/92/29/149019229.db2.gz DWELKHUQZIUNPC-LBPRGKRZSA-N 1 2 318.381 2.614 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1CNc1[nH]c2cc(F)ccc2[nH+]1 ZINC000362626954 149327625 /nfs/dbraw/zinc/32/76/25/149327625.db2.gz KWMPEKDPLNGOQC-UHFFFAOYSA-N 1 2 300.293 2.953 20 5 DFBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCC(O)(C(F)F)CC1 ZINC000426240711 296620869 /nfs/dbraw/zinc/62/08/69/296620869.db2.gz BBWJEGWTLMWYEJ-UHFFFAOYSA-N 1 2 320.723 2.840 20 5 DFBDLO Cc1ccc(C[N@@H+]2CCO[C@H](COC(C)C)C2)cc1[N+](=O)[O-] ZINC000372117186 150139215 /nfs/dbraw/zinc/13/92/15/150139215.db2.gz QPFWHYFWSXFOKO-HNNXBMFYSA-N 1 2 308.378 2.529 20 5 DFBDLO Cc1ccc(C[N@H+]2CCO[C@H](COC(C)C)C2)cc1[N+](=O)[O-] ZINC000372117186 150139217 /nfs/dbraw/zinc/13/92/17/150139217.db2.gz QPFWHYFWSXFOKO-HNNXBMFYSA-N 1 2 308.378 2.529 20 5 DFBDLO COc1cc(C[N@@H+]2CCC[C@](C)(F)C2)c([N+](=O)[O-])cc1OC ZINC000296011693 286219070 /nfs/dbraw/zinc/21/90/70/286219070.db2.gz LRBMZVHSASMQMI-HNNXBMFYSA-N 1 2 312.341 2.936 20 5 DFBDLO COc1cc(C[N@H+]2CCC[C@](C)(F)C2)c([N+](=O)[O-])cc1OC ZINC000296011693 286219073 /nfs/dbraw/zinc/21/90/73/286219073.db2.gz LRBMZVHSASMQMI-HNNXBMFYSA-N 1 2 312.341 2.936 20 5 DFBDLO COc1cc[nH+]cc1CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000431415374 296832620 /nfs/dbraw/zinc/83/26/20/296832620.db2.gz RTERPKNWEUXKEM-UHFFFAOYSA-N 1 2 310.313 2.581 20 5 DFBDLO COc1cc[nH+]cc1CNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000432483801 296880438 /nfs/dbraw/zinc/88/04/38/296880438.db2.gz BVCPUOSDCIESMW-UHFFFAOYSA-N 1 2 316.317 2.629 20 5 DFBDLO CC1(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CCC1 ZINC000432925401 296891374 /nfs/dbraw/zinc/89/13/74/296891374.db2.gz RNFOQTJXBPKFRY-UHFFFAOYSA-N 1 2 323.418 2.604 20 5 DFBDLO COc1cc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000134092937 196360535 /nfs/dbraw/zinc/36/05/35/196360535.db2.gz GTNQIEHRGVPKHV-WFASDCNBSA-N 1 2 316.361 2.887 20 5 DFBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000055695749 425894592 /nfs/dbraw/zinc/89/45/92/425894592.db2.gz GZEFFNWOJZDQCR-UHFFFAOYSA-N 1 2 322.324 2.711 20 5 DFBDLO O=[N+]([O-])c1ccccc1C[NH+]1CCN(c2ccccc2O)CC1 ZINC000058889443 425898374 /nfs/dbraw/zinc/89/83/74/425898374.db2.gz GFJKDSQGZXBAOH-UHFFFAOYSA-N 1 2 313.357 2.623 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1ccco1 ZINC000025397272 425804235 /nfs/dbraw/zinc/80/42/35/425804235.db2.gz VTQRHNOMDOTHBI-UHFFFAOYSA-N 1 2 303.318 2.567 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1ccco1 ZINC000025397272 425804238 /nfs/dbraw/zinc/80/42/38/425804238.db2.gz VTQRHNOMDOTHBI-UHFFFAOYSA-N 1 2 303.318 2.567 20 5 DFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccco1 ZINC000030276299 425831075 /nfs/dbraw/zinc/83/10/75/425831075.db2.gz FFBMRAZOSHKXGK-LLVKDONJSA-N 1 2 303.318 2.647 20 5 DFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccco1 ZINC000030276299 425831076 /nfs/dbraw/zinc/83/10/76/425831076.db2.gz FFBMRAZOSHKXGK-LLVKDONJSA-N 1 2 303.318 2.647 20 5 DFBDLO Cc1cc(NC(C)(C)[C@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000270731827 268208436 /nfs/dbraw/zinc/20/84/36/268208436.db2.gz RGYNGUJFOCGKLX-NSHDSACASA-N 1 2 316.361 2.932 20 5 DFBDLO Cn1cc[nH+]c1[C@@H]1N(c2ncc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000296205108 268298901 /nfs/dbraw/zinc/29/89/01/268298901.db2.gz FQBSWVVDOTULCI-NSHDSACASA-N 1 2 321.768 2.964 20 5 DFBDLO Cc1cnc(N2CC(C)(C)[C@H]2c2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC000296379535 268304459 /nfs/dbraw/zinc/30/44/59/268304459.db2.gz TYBJJCDWPOLYMM-GFCCVEGCSA-N 1 2 301.350 2.619 20 5 DFBDLO CC(C)(C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000308662967 268335370 /nfs/dbraw/zinc/33/53/70/268335370.db2.gz JKCCBMIOCHOMOC-UHFFFAOYSA-N 1 2 313.785 2.771 20 5 DFBDLO COC(=O)c1cnc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000314681148 268341722 /nfs/dbraw/zinc/34/17/22/268341722.db2.gz QBGHVLWYQVNBPH-SECBINFHSA-N 1 2 321.358 2.689 20 5 DFBDLO CC[N@H+](CCC(=O)OC)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000107904782 426005870 /nfs/dbraw/zinc/00/58/70/426005870.db2.gz AHMYIHYCZXFWDW-UHFFFAOYSA-N 1 2 300.742 2.633 20 5 DFBDLO CC[N@@H+](CCC(=O)OC)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000107904782 426005872 /nfs/dbraw/zinc/00/58/72/426005872.db2.gz AHMYIHYCZXFWDW-UHFFFAOYSA-N 1 2 300.742 2.633 20 5 DFBDLO C[C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000125846687 425993519 /nfs/dbraw/zinc/99/35/19/425993519.db2.gz TWUCVPDTUUGEGM-WFASDCNBSA-N 1 2 314.345 2.515 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000111231923 426038810 /nfs/dbraw/zinc/03/88/10/426038810.db2.gz KXICRTQCTQMNRE-NEPJUHHUSA-N 1 2 322.258 2.622 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000111231923 426038812 /nfs/dbraw/zinc/03/88/12/426038812.db2.gz KXICRTQCTQMNRE-NEPJUHHUSA-N 1 2 322.258 2.622 20 5 DFBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000072012157 426007311 /nfs/dbraw/zinc/00/73/11/426007311.db2.gz JIMNYYPGXMLGDZ-UHFFFAOYSA-N 1 2 312.285 2.841 20 5 DFBDLO CC[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000130326020 426154955 /nfs/dbraw/zinc/15/49/55/426154955.db2.gz PKTAJTNGMBQVNX-GFCCVEGCSA-N 1 2 314.345 2.653 20 5 DFBDLO Cc1cc(C(=O)NCCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000115161893 426155691 /nfs/dbraw/zinc/15/56/91/426155691.db2.gz PRPRCHNLMVMADY-UHFFFAOYSA-N 1 2 314.345 2.530 20 5 DFBDLO Cc1cc([N+](=O)[O-])cnc1NCCCCNc1cccc[nH+]1 ZINC000078615891 426178060 /nfs/dbraw/zinc/17/80/60/426178060.db2.gz OPRIIYUGTXSXPY-UHFFFAOYSA-N 1 2 301.350 2.997 20 5 DFBDLO CC[C@H](C)CN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000171876750 426217970 /nfs/dbraw/zinc/21/79/70/426217970.db2.gz WBJFGEXBUNKFCI-LBPRGKRZSA-N 1 2 316.361 2.899 20 5 DFBDLO COC(=O)C1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCC(C)CC1 ZINC000118863216 426250513 /nfs/dbraw/zinc/25/05/13/426250513.db2.gz OYZFFKWCLLYCON-UHFFFAOYSA-N 1 2 320.389 2.849 20 5 DFBDLO COc1cc[nH+]cc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087218265 426267569 /nfs/dbraw/zinc/26/75/69/426267569.db2.gz ZNPNFHWHTCGBPR-UHFFFAOYSA-N 1 2 301.302 2.570 20 5 DFBDLO Cc1ccc([C@H](C)Nc2[nH+]cnc3c2cnn3C)cc1[N+](=O)[O-] ZINC000174932491 426269422 /nfs/dbraw/zinc/26/94/22/426269422.db2.gz ZNJRRCHFUOHAHZ-JTQLQIEISA-N 1 2 312.333 2.753 20 5 DFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000119297979 426276513 /nfs/dbraw/zinc/27/65/13/426276513.db2.gz HXXXUYRCFUWUER-LLVKDONJSA-N 1 2 324.686 2.747 20 5 DFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000119297979 426276516 /nfs/dbraw/zinc/27/65/16/426276516.db2.gz HXXXUYRCFUWUER-LLVKDONJSA-N 1 2 324.686 2.747 20 5 DFBDLO CC1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC1 ZINC000175068189 426276667 /nfs/dbraw/zinc/27/66/67/426276667.db2.gz XTUOGZJHMLUDNJ-UHFFFAOYSA-N 1 2 314.345 2.701 20 5 DFBDLO C[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000153581088 426393267 /nfs/dbraw/zinc/39/32/67/426393267.db2.gz GMONFEUQAUOTKX-SNVBAGLBSA-N 1 2 322.752 2.511 20 5 DFBDLO C[C@@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000154015849 426420652 /nfs/dbraw/zinc/42/06/52/426420652.db2.gz LHYQOQXYTFIPIA-MFKMUULPSA-N 1 2 321.768 2.927 20 5 DFBDLO C[C@@H]1[C@@H](C)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000177043889 426437487 /nfs/dbraw/zinc/43/74/87/426437487.db2.gz MZXGGEHJNWNBOG-NWDGAFQWSA-N 1 2 314.345 2.651 20 5 DFBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCS[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000264154584 426506502 /nfs/dbraw/zinc/50/65/02/426506502.db2.gz ULTIWGTZEWNSEA-ZYHUDNBSSA-N 1 2 323.418 2.668 20 5 DFBDLO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCS[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000264154584 426506506 /nfs/dbraw/zinc/50/65/06/426506506.db2.gz ULTIWGTZEWNSEA-ZYHUDNBSSA-N 1 2 323.418 2.668 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(C(=O)C(C)C)CC1 ZINC000272388899 426513582 /nfs/dbraw/zinc/51/35/82/426513582.db2.gz XEYZJGJKJUYJMM-CQSZACIVSA-N 1 2 319.405 2.764 20 5 DFBDLO Cc1c(C[N@@H+]2CCO[C@H](c3nccs3)C2)cccc1[N+](=O)[O-] ZINC000195521790 426536230 /nfs/dbraw/zinc/53/62/30/426536230.db2.gz YYPCMAJRZUGNOR-AWEZNQCLSA-N 1 2 319.386 2.933 20 5 DFBDLO Cc1c(C[N@H+]2CCO[C@H](c3nccs3)C2)cccc1[N+](=O)[O-] ZINC000195521790 426536235 /nfs/dbraw/zinc/53/62/35/426536235.db2.gz YYPCMAJRZUGNOR-AWEZNQCLSA-N 1 2 319.386 2.933 20 5 DFBDLO CC(C)(C)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000280442435 426576198 /nfs/dbraw/zinc/57/61/98/426576198.db2.gz KMVJFMNDYZDNMO-CQSZACIVSA-N 1 2 323.349 2.750 20 5 DFBDLO CC(C)(C)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000280442435 426576199 /nfs/dbraw/zinc/57/61/99/426576199.db2.gz KMVJFMNDYZDNMO-CQSZACIVSA-N 1 2 323.349 2.750 20 5 DFBDLO CCc1cc(NCC[C@@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000265122869 426585725 /nfs/dbraw/zinc/58/57/25/426585725.db2.gz KLEIANGIEFZOJQ-LLVKDONJSA-N 1 2 316.361 2.797 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000178204103 426586944 /nfs/dbraw/zinc/58/69/44/426586944.db2.gz JOJVAXFMBDXHHI-ZDUSSCGKSA-N 1 2 313.361 2.632 20 5 DFBDLO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000178523450 426648027 /nfs/dbraw/zinc/64/80/27/426648027.db2.gz PDILPDZKXLAEBB-NSHDSACASA-N 1 2 312.391 2.820 20 5 DFBDLO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000178523450 426648031 /nfs/dbraw/zinc/64/80/31/426648031.db2.gz PDILPDZKXLAEBB-NSHDSACASA-N 1 2 312.391 2.820 20 5 DFBDLO Cc1ccc([C@@H](C)[NH2+][C@H](C(N)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000178690811 426676780 /nfs/dbraw/zinc/67/67/80/426676780.db2.gz VJQBGMBPDBUQAY-WBMJQRKESA-N 1 2 313.357 2.780 20 5 DFBDLO O=[N+]([O-])c1cnc(Nc2ccc(N3CCCCC3)[nH+]c2)nc1 ZINC000273605646 426693965 /nfs/dbraw/zinc/69/39/65/426693965.db2.gz KKOOTRPRWQQXBI-UHFFFAOYSA-N 1 2 300.322 2.514 20 5 DFBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H](CO)c1ccccc1 ZINC000267081273 426821397 /nfs/dbraw/zinc/82/13/97/426821397.db2.gz YABNZQHPKOBRJX-MRXNPFEDSA-N 1 2 304.321 2.899 20 5 DFBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H](CO)c1ccccc1 ZINC000267081273 426821401 /nfs/dbraw/zinc/82/14/01/426821401.db2.gz YABNZQHPKOBRJX-MRXNPFEDSA-N 1 2 304.321 2.899 20 5 DFBDLO C[C@@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccccc1[N+](=O)[O-] ZINC000266901633 426792466 /nfs/dbraw/zinc/79/24/66/426792466.db2.gz UGJCKQWKUILYKP-GFCCVEGCSA-N 1 2 315.377 2.764 20 5 DFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1noc(C(C)(C)C)n1 ZINC000282324116 426882004 /nfs/dbraw/zinc/88/20/04/426882004.db2.gz AHOHYYZDOYBPRD-UHFFFAOYSA-N 1 2 318.377 2.950 20 5 DFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1noc(C(C)(C)C)n1 ZINC000282324116 426882010 /nfs/dbraw/zinc/88/20/10/426882010.db2.gz AHOHYYZDOYBPRD-UHFFFAOYSA-N 1 2 318.377 2.950 20 5 DFBDLO Cn1c(Cl)cnc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282383896 426898474 /nfs/dbraw/zinc/89/84/74/426898474.db2.gz GDQGUAJCYAXOIK-UHFFFAOYSA-N 1 2 308.769 2.656 20 5 DFBDLO Cn1c(Cl)cnc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282383896 426898482 /nfs/dbraw/zinc/89/84/82/426898482.db2.gz GDQGUAJCYAXOIK-UHFFFAOYSA-N 1 2 308.769 2.656 20 5 DFBDLO CC(C)N(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000248013985 426973605 /nfs/dbraw/zinc/97/36/05/426973605.db2.gz SBMGEYXPIUUUFN-UHFFFAOYSA-N 1 2 314.345 2.794 20 5 DFBDLO Nc1ccc(NCCCCNc2cccc[nH+]2)c([N+](=O)[O-])c1 ZINC000283708879 427061503 /nfs/dbraw/zinc/06/15/03/427061503.db2.gz DNQYJAXMBSJWQY-UHFFFAOYSA-N 1 2 301.350 2.876 20 5 DFBDLO Cc1nc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000268470851 427027869 /nfs/dbraw/zinc/02/78/69/427027869.db2.gz JFGSOVQZBUMSCI-FZMZJTMJSA-N 1 2 301.350 2.582 20 5 DFBDLO CCn1cc([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cn1 ZINC000295994172 427040322 /nfs/dbraw/zinc/04/03/22/427040322.db2.gz KDJGXFWFJUEKPR-JTQLQIEISA-N 1 2 315.333 2.803 20 5 DFBDLO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ncnn2C)cc1[N+](=O)[O-] ZINC000276549902 427099299 /nfs/dbraw/zinc/09/92/99/427099299.db2.gz FCDXHDMLPBSZTD-GHMZBOCLSA-N 1 2 319.365 2.534 20 5 DFBDLO Cc1ccoc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000292163643 427115440 /nfs/dbraw/zinc/11/54/40/427115440.db2.gz KYCBKCDFDIBYHU-GFCCVEGCSA-N 1 2 317.345 2.955 20 5 DFBDLO Cc1ccoc1C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000292163643 427115450 /nfs/dbraw/zinc/11/54/50/427115450.db2.gz KYCBKCDFDIBYHU-GFCCVEGCSA-N 1 2 317.345 2.955 20 5 DFBDLO Cc1cc(C(=O)Nc2nc(C[NH+](C)C)cs2)ccc1[N+](=O)[O-] ZINC000170484479 271098707 /nfs/dbraw/zinc/09/87/07/271098707.db2.gz ZEMAWKGLUHCZGR-UHFFFAOYSA-N 1 2 320.374 2.674 20 5 DFBDLO COCc1noc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000183038308 427187232 /nfs/dbraw/zinc/18/72/32/427187232.db2.gz CJVBKCNFWYOJEC-UWVGGRQHSA-N 1 2 306.322 2.536 20 5 DFBDLO CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330485617 427251757 /nfs/dbraw/zinc/25/17/57/427251757.db2.gz BPZZELOTEBULIG-INIZCTEOSA-N 1 2 308.378 2.673 20 5 DFBDLO CC(C)C[C@]1(CO)CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330485617 427251765 /nfs/dbraw/zinc/25/17/65/427251765.db2.gz BPZZELOTEBULIG-INIZCTEOSA-N 1 2 308.378 2.673 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000330745005 427299622 /nfs/dbraw/zinc/29/96/22/427299622.db2.gz SHGZNDUGBPZARU-INIZCTEOSA-N 1 2 308.378 2.850 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000330745005 427299626 /nfs/dbraw/zinc/29/96/26/427299626.db2.gz SHGZNDUGBPZARU-INIZCTEOSA-N 1 2 308.378 2.850 20 5 DFBDLO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCc1ccn2cc[nH+]c2c1 ZINC000255897748 427301004 /nfs/dbraw/zinc/30/10/04/427301004.db2.gz NRPMDIPDWXKBKC-PLNGDYQASA-N 1 2 322.324 2.572 20 5 DFBDLO COc1cc(N[C@@H]2CCN(c3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000269897775 427301458 /nfs/dbraw/zinc/30/14/58/427301458.db2.gz XYRRGJOVWUQEMO-CYBMUJFWSA-N 1 2 314.345 2.689 20 5 DFBDLO CCOc1cc(C[N@@H+]2CCOC(C)(C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000331199606 427370649 /nfs/dbraw/zinc/37/06/49/427370649.db2.gz ZVSRUYPSVWEWMK-GFCCVEGCSA-N 1 2 308.378 2.993 20 5 DFBDLO CCOc1cc(C[N@H+]2CCOC(C)(C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000331199606 427370657 /nfs/dbraw/zinc/37/06/57/427370657.db2.gz ZVSRUYPSVWEWMK-GFCCVEGCSA-N 1 2 308.378 2.993 20 5 DFBDLO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2nncn2C)cc1[N+](=O)[O-] ZINC000271019118 427374095 /nfs/dbraw/zinc/37/40/95/427374095.db2.gz AAMIZKAPNNKHQC-WDEREUQCSA-N 1 2 319.365 2.534 20 5 DFBDLO CC[C@@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H](C)[S@]1=O ZINC000286069849 427416935 /nfs/dbraw/zinc/41/69/35/427416935.db2.gz RUZBTZKWAAEJQF-XVWIWDNYSA-N 1 2 310.419 2.887 20 5 DFBDLO CC[C@@H]1C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H](C)[S@]1=O ZINC000286069849 427416943 /nfs/dbraw/zinc/41/69/43/427416943.db2.gz RUZBTZKWAAEJQF-XVWIWDNYSA-N 1 2 310.419 2.887 20 5 DFBDLO C[C@H](Cn1cc[nH+]c1)Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278407749 427432896 /nfs/dbraw/zinc/43/28/96/427432896.db2.gz NKFWXPFNNZUVER-MRVPVSSYSA-N 1 2 315.255 2.706 20 5 DFBDLO COc1cc(C[N@H+](C)[C@H](C)c2cnn(C)c2)c([N+](=O)[O-])cc1F ZINC000184329062 427439897 /nfs/dbraw/zinc/43/98/97/427439897.db2.gz WICCFRYRKPPLMX-SNVBAGLBSA-N 1 2 322.340 2.669 20 5 DFBDLO COc1cc(C[N@@H+](C)[C@H](C)c2cnn(C)c2)c([N+](=O)[O-])cc1F ZINC000184329062 427439904 /nfs/dbraw/zinc/43/99/04/427439904.db2.gz WICCFRYRKPPLMX-SNVBAGLBSA-N 1 2 322.340 2.669 20 5 DFBDLO CC(=O)N1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000184725646 427527734 /nfs/dbraw/zinc/52/77/34/427527734.db2.gz NCDKPLBPWKMCKB-SOFGYWHQSA-N 1 2 317.389 2.551 20 5 DFBDLO CC(=O)N1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000184725646 427527738 /nfs/dbraw/zinc/52/77/38/427527738.db2.gz NCDKPLBPWKMCKB-SOFGYWHQSA-N 1 2 317.389 2.551 20 5 DFBDLO Cc1ccc(F)cc1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332524180 427618050 /nfs/dbraw/zinc/61/80/50/427618050.db2.gz NXJNFKWXMSFXEH-UHFFFAOYSA-N 1 2 301.321 2.996 20 5 DFBDLO Cc1ccc(F)cc1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332524180 427618058 /nfs/dbraw/zinc/61/80/58/427618058.db2.gz NXJNFKWXMSFXEH-UHFFFAOYSA-N 1 2 301.321 2.996 20 5 DFBDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000332259545 427560156 /nfs/dbraw/zinc/56/01/56/427560156.db2.gz ZQZIMKXETXVQDS-KBMXLJTQSA-N 1 2 324.352 2.502 20 5 DFBDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000332259545 427560162 /nfs/dbraw/zinc/56/01/62/427560162.db2.gz ZQZIMKXETXVQDS-KBMXLJTQSA-N 1 2 324.352 2.502 20 5 DFBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000271520398 427569580 /nfs/dbraw/zinc/56/95/80/427569580.db2.gz MLOFLOLIEKPWAO-AWEZNQCLSA-N 1 2 319.361 2.646 20 5 DFBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000271520398 427569590 /nfs/dbraw/zinc/56/95/90/427569590.db2.gz MLOFLOLIEKPWAO-AWEZNQCLSA-N 1 2 319.361 2.646 20 5 DFBDLO CN(CC(C)(C)C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000263814674 427581533 /nfs/dbraw/zinc/58/15/33/427581533.db2.gz ZSPXXGMQZJDWRL-UHFFFAOYSA-N 1 2 316.361 2.899 20 5 DFBDLO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000339009966 427623522 /nfs/dbraw/zinc/62/35/22/427623522.db2.gz HKCIJVFREIIHLT-GDBMZVCRSA-N 1 2 308.378 2.936 20 5 DFBDLO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000339009966 427623528 /nfs/dbraw/zinc/62/35/28/427623528.db2.gz HKCIJVFREIIHLT-GDBMZVCRSA-N 1 2 308.378 2.936 20 5 DFBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263923159 427609767 /nfs/dbraw/zinc/60/97/67/427609767.db2.gz DVSWYFVDXVZMQF-NSHDSACASA-N 1 2 315.333 2.729 20 5 DFBDLO CC1(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000279292406 427629069 /nfs/dbraw/zinc/62/90/69/427629069.db2.gz CPOCHTUPXAVJOW-UHFFFAOYSA-N 1 2 314.345 2.701 20 5 DFBDLO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339053945 427652760 /nfs/dbraw/zinc/65/27/60/427652760.db2.gz GSHCCWUHDSKXMO-CJNGLKHVSA-N 1 2 322.361 2.512 20 5 DFBDLO O=C(NCCCCNc1cccc[nH+]1)c1ccc([N+](=O)[O-])s1 ZINC000264091687 427654771 /nfs/dbraw/zinc/65/47/71/427654771.db2.gz LDWLEETXDBHRRC-UHFFFAOYSA-N 1 2 320.374 2.673 20 5 DFBDLO COC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000339067193 427659191 /nfs/dbraw/zinc/65/91/91/427659191.db2.gz HQTVOYOGYVTAIL-HNNXBMFYSA-N 1 2 302.330 2.778 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000339012486 427625320 /nfs/dbraw/zinc/62/53/20/427625320.db2.gz WFLLWBNJDHWMTF-INIZCTEOSA-N 1 2 306.362 2.693 20 5 DFBDLO O=[N+]([O-])c1ccccc1CC[NH2+][C@H](c1ncc[nH]1)c1ccccn1 ZINC000344081853 272259741 /nfs/dbraw/zinc/25/97/41/272259741.db2.gz VYHYMNADXHHDMF-INIZCTEOSA-N 1 2 323.356 2.635 20 5 DFBDLO Cc1cc(NCCn2cc[nH+]c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301064581 427772963 /nfs/dbraw/zinc/77/29/63/427772963.db2.gz AAQUVGDVHLYPGN-UHFFFAOYSA-N 1 2 324.344 2.669 20 5 DFBDLO C[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000301164583 427779104 /nfs/dbraw/zinc/77/91/04/427779104.db2.gz CGLBLZGBBXQSCB-QWRGUYRKSA-N 1 2 313.785 2.769 20 5 DFBDLO CC[N@@H+](c1ccc(Nc2ncc([N+](=O)[O-])c(N)n2)cc1)C(C)C ZINC000301180402 427780476 /nfs/dbraw/zinc/78/04/76/427780476.db2.gz ZAGUOYURXZCJNX-UHFFFAOYSA-N 1 2 316.365 2.945 20 5 DFBDLO CC[N@H+](c1ccc(Nc2ncc([N+](=O)[O-])c(N)n2)cc1)C(C)C ZINC000301180402 427780479 /nfs/dbraw/zinc/78/04/79/427780479.db2.gz ZAGUOYURXZCJNX-UHFFFAOYSA-N 1 2 316.365 2.945 20 5 DFBDLO O=[N+]([O-])c1cc(F)ccc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000301664651 427813240 /nfs/dbraw/zinc/81/32/40/427813240.db2.gz ZJJRAZWFRJWTIM-CYBMUJFWSA-N 1 2 303.293 2.787 20 5 DFBDLO COC(=O)c1cc(NCCc2cc[nH+]cc2C)ccc1[N+](=O)[O-] ZINC000301847150 427829908 /nfs/dbraw/zinc/82/99/08/427829908.db2.gz NCVNDPFEVUHDAG-UHFFFAOYSA-N 1 2 315.329 2.739 20 5 DFBDLO Nc1nc(NCCNc2ccc([N+](=O)[O-])cc2)[nH+]c2ccccc12 ZINC000301899837 427834290 /nfs/dbraw/zinc/83/42/90/427834290.db2.gz YMLHPUQLUQYYIC-UHFFFAOYSA-N 1 2 324.344 2.644 20 5 DFBDLO CC[N@H+](CCCNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccc1 ZINC000340471339 427856219 /nfs/dbraw/zinc/85/62/19/427856219.db2.gz VPHUZDGOXUGCDA-UHFFFAOYSA-N 1 2 316.361 2.569 20 5 DFBDLO CC[N@@H+](CCCNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccc1 ZINC000340471339 427856221 /nfs/dbraw/zinc/85/62/21/427856221.db2.gz VPHUZDGOXUGCDA-UHFFFAOYSA-N 1 2 316.361 2.569 20 5 DFBDLO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000359521982 427888204 /nfs/dbraw/zinc/88/82/04/427888204.db2.gz ORHVUUKZBPYXGO-ZDUSSCGKSA-N 1 2 308.284 2.696 20 5 DFBDLO CN(Cc1ccccc1[N+](=O)[O-])c1cc(NCC2CC2)[nH+]cn1 ZINC000340013064 427901123 /nfs/dbraw/zinc/90/11/23/427901123.db2.gz CKUBSPZXUHXWLT-UHFFFAOYSA-N 1 2 313.361 2.843 20 5 DFBDLO CN(Cc1ccccc1[N+](=O)[O-])c1cc(NCC2CC2)nc[nH+]1 ZINC000340013064 427901129 /nfs/dbraw/zinc/90/11/29/427901129.db2.gz CKUBSPZXUHXWLT-UHFFFAOYSA-N 1 2 313.361 2.843 20 5 DFBDLO CC[N@H+](Cc1cn(C)nn1)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000359651741 427956770 /nfs/dbraw/zinc/95/67/70/427956770.db2.gz RCYABABBUXXAPR-LBPRGKRZSA-N 1 2 303.366 2.615 20 5 DFBDLO CC[N@@H+](Cc1cn(C)nn1)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000359651741 427956775 /nfs/dbraw/zinc/95/67/75/427956775.db2.gz RCYABABBUXXAPR-LBPRGKRZSA-N 1 2 303.366 2.615 20 5 DFBDLO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H]2c2ncon2)cc1 ZINC000369817500 428068542 /nfs/dbraw/zinc/06/85/42/428068542.db2.gz CNLUEYOTGVQVFU-CQSZACIVSA-N 1 2 318.333 2.584 20 5 DFBDLO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H]2c2ncon2)cc1 ZINC000369817500 428068549 /nfs/dbraw/zinc/06/85/49/428068549.db2.gz CNLUEYOTGVQVFU-CQSZACIVSA-N 1 2 318.333 2.584 20 5 DFBDLO Cc1cc(NCC[N@@H+]2CCOC(C)(C)C2)c(F)cc1[N+](=O)[O-] ZINC000359915943 428074925 /nfs/dbraw/zinc/07/49/25/428074925.db2.gz YIOWWQWEWFPRHG-UHFFFAOYSA-N 1 2 311.357 2.565 20 5 DFBDLO Cc1cc(NCC[N@H+]2CCOC(C)(C)C2)c(F)cc1[N+](=O)[O-] ZINC000359915943 428074930 /nfs/dbraw/zinc/07/49/30/428074930.db2.gz YIOWWQWEWFPRHG-UHFFFAOYSA-N 1 2 311.357 2.565 20 5 DFBDLO C[C@H]1COCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000370052456 428120582 /nfs/dbraw/zinc/12/05/82/428120582.db2.gz HHOFSXQFJSWUTI-SNVBAGLBSA-N 1 2 316.304 2.665 20 5 DFBDLO C[C@H]1COCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000370052456 428120588 /nfs/dbraw/zinc/12/05/88/428120588.db2.gz HHOFSXQFJSWUTI-SNVBAGLBSA-N 1 2 316.304 2.665 20 5 DFBDLO CCCCc1noc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000352544062 428144752 /nfs/dbraw/zinc/14/47/52/428144752.db2.gz NGHXISRUEMHYGG-UHFFFAOYSA-N 1 2 318.377 2.995 20 5 DFBDLO CCCCc1noc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000352544062 428144756 /nfs/dbraw/zinc/14/47/56/428144756.db2.gz NGHXISRUEMHYGG-UHFFFAOYSA-N 1 2 318.377 2.995 20 5 DFBDLO O=C(Nc1ccccc1-n1cc[nH+]c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356332131 428128871 /nfs/dbraw/zinc/12/88/71/428128871.db2.gz XNYHIBXOLHHABD-UHFFFAOYSA-N 1 2 324.296 2.738 20 5 DFBDLO COCc1nc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cs1 ZINC000352566481 428152563 /nfs/dbraw/zinc/15/25/63/428152563.db2.gz ZYXFSTPTKRGAMC-UHFFFAOYSA-N 1 2 321.402 2.872 20 5 DFBDLO COCc1nc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cs1 ZINC000352566481 428152570 /nfs/dbraw/zinc/15/25/70/428152570.db2.gz ZYXFSTPTKRGAMC-UHFFFAOYSA-N 1 2 321.402 2.872 20 5 DFBDLO CN(C)c1[nH+]cccc1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000346395934 428154050 /nfs/dbraw/zinc/15/40/50/428154050.db2.gz HWUKKKXBIHOASU-UHFFFAOYSA-N 1 2 307.741 2.716 20 5 DFBDLO Cc1cc([N+](=O)[O-])cnc1NCc1[nH+]ccn1CC(F)(F)F ZINC000356598770 428249219 /nfs/dbraw/zinc/24/92/19/428249219.db2.gz JLSFBXCDLTUKQH-UHFFFAOYSA-N 1 2 315.255 2.669 20 5 DFBDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000357293825 428468568 /nfs/dbraw/zinc/46/85/68/428468568.db2.gz BDFDNJYEUYTERX-SECBINFHSA-N 1 2 312.276 2.893 20 5 DFBDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000353356472 428500234 /nfs/dbraw/zinc/50/02/34/428500234.db2.gz VRSPRIWCHBXWCR-CYBMUJFWSA-N 1 2 315.333 2.601 20 5 DFBDLO Cc1[nH]nc2ncc(C[N@@H+]3CCc4ccc([N+](=O)[O-])cc4C3)cc12 ZINC000353608842 428620803 /nfs/dbraw/zinc/62/08/03/428620803.db2.gz JCKWFVQVOXKYIX-UHFFFAOYSA-N 1 2 323.356 2.733 20 5 DFBDLO Cc1[nH]nc2ncc(C[N@H+]3CCc4ccc([N+](=O)[O-])cc4C3)cc12 ZINC000353608842 428620809 /nfs/dbraw/zinc/62/08/09/428620809.db2.gz JCKWFVQVOXKYIX-UHFFFAOYSA-N 1 2 323.356 2.733 20 5 DFBDLO Cc1c(CN[C@H](c2[nH]cc[nH+]2)c2cccnc2)cccc1[N+](=O)[O-] ZINC000359000473 428768922 /nfs/dbraw/zinc/76/89/22/428768922.db2.gz HTIUJBMFZIUCQB-INIZCTEOSA-N 1 2 323.356 2.901 20 5 DFBDLO Cc1cnc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000348417419 428738840 /nfs/dbraw/zinc/73/88/40/428738840.db2.gz UGAPLTYVZZOHMX-MNOVXSKESA-N 1 2 318.333 2.569 20 5 DFBDLO CCC[C@@H]([NH2+]Cc1ncnn1CC)c1cccc([N+](=O)[O-])c1 ZINC000359068803 428803060 /nfs/dbraw/zinc/80/30/60/428803060.db2.gz GNZXIVZZXNMAQA-CQSZACIVSA-N 1 2 303.366 2.837 20 5 DFBDLO Cc1ccn2cc(CNc3ccc([N+](=O)[O-])c(N)c3F)[nH+]c2c1 ZINC000348746424 428824261 /nfs/dbraw/zinc/82/42/61/428824261.db2.gz YRRFKMGGRAQKIP-UHFFFAOYSA-N 1 2 315.308 2.884 20 5 DFBDLO CCOc1cc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000411846567 428867883 /nfs/dbraw/zinc/86/78/83/428867883.db2.gz LQNFVZDOTDGGKW-QGZVFWFLSA-N 1 2 320.389 2.994 20 5 DFBDLO CCOc1cc(C[N@H+]2CCO[C@@H](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000411846567 428867886 /nfs/dbraw/zinc/86/78/86/428867886.db2.gz LQNFVZDOTDGGKW-QGZVFWFLSA-N 1 2 320.389 2.994 20 5 DFBDLO Cn1ncc2c1CCC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000411843942 428869718 /nfs/dbraw/zinc/86/97/18/428869718.db2.gz LNSWAQZVGJNQOH-UHFFFAOYSA-N 1 2 320.780 2.930 20 5 DFBDLO Cn1ncc2c1CCC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000411843942 428869721 /nfs/dbraw/zinc/86/97/21/428869721.db2.gz LNSWAQZVGJNQOH-UHFFFAOYSA-N 1 2 320.780 2.930 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000376094758 429056223 /nfs/dbraw/zinc/05/62/23/429056223.db2.gz HAVJHVMGVWZBBO-UHFFFAOYSA-N 1 2 314.345 2.646 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000376094758 429056227 /nfs/dbraw/zinc/05/62/27/429056227.db2.gz HAVJHVMGVWZBBO-UHFFFAOYSA-N 1 2 314.345 2.646 20 5 DFBDLO COc1ccnc(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000424176576 429104857 /nfs/dbraw/zinc/10/48/57/429104857.db2.gz YBJKYUTYPJJKEK-UHFFFAOYSA-N 1 2 316.361 2.807 20 5 DFBDLO C[C@H]1C[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456359845 429288010 /nfs/dbraw/zinc/28/80/10/429288010.db2.gz YIMWWKIPQYOLRP-KWQFWETISA-N 1 2 320.736 2.881 20 5 DFBDLO C[C@H]1C[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456392811 429295885 /nfs/dbraw/zinc/29/58/85/429295885.db2.gz RGTNBTWRHDHQPC-QPUJVOFHSA-N 1 2 320.736 2.881 20 5 DFBDLO COC[C@@H]1CC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425472635 429305776 /nfs/dbraw/zinc/30/57/76/429305776.db2.gz IETFAOUUBNTLGU-NSHDSACASA-N 1 2 315.167 2.578 20 5 DFBDLO COC[C@@H]1CC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425472635 429305778 /nfs/dbraw/zinc/30/57/78/429305778.db2.gz IETFAOUUBNTLGU-NSHDSACASA-N 1 2 315.167 2.578 20 5 DFBDLO CCCC[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000449244018 429366047 /nfs/dbraw/zinc/36/60/47/429366047.db2.gz PABOVEWPKNZILP-GXTWGEPZSA-N 1 2 308.378 2.847 20 5 DFBDLO COCC[C@H]1COCC[N@@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000365814210 429377910 /nfs/dbraw/zinc/37/79/10/429377910.db2.gz QRXMJJPLZYEFPU-HNNXBMFYSA-N 1 2 322.405 2.956 20 5 DFBDLO COCC[C@H]1COCC[N@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000365814210 429377913 /nfs/dbraw/zinc/37/79/13/429377913.db2.gz QRXMJJPLZYEFPU-HNNXBMFYSA-N 1 2 322.405 2.956 20 5 DFBDLO COc1c(C)c[nH+]c(COc2ccc([N+](=O)[O-])c(CO)c2)c1C ZINC000428084447 429489291 /nfs/dbraw/zinc/48/92/91/429489291.db2.gz HWYYHBKTQLNFBQ-UHFFFAOYSA-N 1 2 318.329 2.687 20 5 DFBDLO Cc1cc(NC(=O)C=Cc2ccc(F)cc2[N+](=O)[O-])c(C)c[nH+]1 ZINC000492256798 429496512 /nfs/dbraw/zinc/49/65/12/429496512.db2.gz CDCNFKDQYQUZKO-GQCTYLIASA-N 1 2 315.304 2.820 20 5 DFBDLO Cc1ccc(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)cc1[N+](=O)[O-] ZINC000366829598 429522174 /nfs/dbraw/zinc/52/21/74/429522174.db2.gz JGAXBMWUGIBTPZ-NSHDSACASA-N 1 2 300.318 2.685 20 5 DFBDLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000428439329 429522950 /nfs/dbraw/zinc/52/29/50/429522950.db2.gz CFGUGMHUCCSDFW-LOWQCSRCSA-N 1 2 317.389 2.551 20 5 DFBDLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000428439329 429522953 /nfs/dbraw/zinc/52/29/53/429522953.db2.gz CFGUGMHUCCSDFW-LOWQCSRCSA-N 1 2 317.389 2.551 20 5 DFBDLO Cc1[nH+]c2cc(NC(=O)c3ccc([N+](=O)[O-])o3)ccc2n1C ZINC000525217413 429649273 /nfs/dbraw/zinc/64/92/73/429649273.db2.gz LWVBNFIFIPVIHE-UHFFFAOYSA-N 1 2 300.274 2.635 20 5 DFBDLO C[C@@H]1C[C@H](Nc2nc3sccn3c2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450836352 429710218 /nfs/dbraw/zinc/71/02/18/429710218.db2.gz YRAVUDHEZVBEFO-SFYZADRCSA-N 1 2 304.335 2.618 20 5 DFBDLO CC(C)(CNc1c(Cl)cccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000432320264 429812996 /nfs/dbraw/zinc/81/29/96/429812996.db2.gz NDWFSJHMUJRAFL-UHFFFAOYSA-N 1 2 313.785 2.771 20 5 DFBDLO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H](C2CC2)O1 ZINC000369290196 429922543 /nfs/dbraw/zinc/92/25/43/429922543.db2.gz JOSUZPYEAKUCRP-BMIGLBTASA-N 1 2 317.345 2.735 20 5 DFBDLO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H](C2CC2)O1 ZINC000369290196 429922544 /nfs/dbraw/zinc/92/25/44/429922544.db2.gz JOSUZPYEAKUCRP-BMIGLBTASA-N 1 2 317.345 2.735 20 5 DFBDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000369410326 429938631 /nfs/dbraw/zinc/93/86/31/429938631.db2.gz WNDZPLKJUVUWSY-XHBSWPGZSA-N 1 2 324.352 2.502 20 5 DFBDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000369410326 429938634 /nfs/dbraw/zinc/93/86/34/429938634.db2.gz WNDZPLKJUVUWSY-XHBSWPGZSA-N 1 2 324.352 2.502 20 5 DFBDLO CC(C)n1cc([C@@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000559151427 429999825 /nfs/dbraw/zinc/99/98/25/429999825.db2.gz IHOVNMBYYYPMIS-LLVKDONJSA-N 1 2 304.350 2.929 20 5 DFBDLO C[C@@H](Nc1nc(N)c2ccccc2[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000539236880 430176188 /nfs/dbraw/zinc/17/61/88/430176188.db2.gz RBRMTXJJSFRWQW-SNVBAGLBSA-N 1 2 309.329 2.715 20 5 DFBDLO CC[C@H]([NH2+][C@H](C)c1nccc(N)n1)c1cccc([N+](=O)[O-])c1 ZINC000593969606 430499551 /nfs/dbraw/zinc/49/95/51/430499551.db2.gz BGVRZUFFLWVTFN-MFKMUULPSA-N 1 2 301.350 2.769 20 5 DFBDLO Cc1cc(N2CCn3c[nH+]cc3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000368174396 278717508 /nfs/dbraw/zinc/71/75/08/278717508.db2.gz FNHSBJRBUNDRMH-UHFFFAOYSA-N 1 2 309.329 2.668 20 5 DFBDLO CC[N@H+](Cc1cn(C)nn1)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000359651734 279242363 /nfs/dbraw/zinc/24/23/63/279242363.db2.gz RCYABABBUXXAPR-GFCCVEGCSA-N 1 2 303.366 2.615 20 5 DFBDLO CC[N@@H+](Cc1cn(C)nn1)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000359651734 279242366 /nfs/dbraw/zinc/24/23/66/279242366.db2.gz RCYABABBUXXAPR-GFCCVEGCSA-N 1 2 303.366 2.615 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)C2)c(F)c1 ZINC000330710809 280363290 /nfs/dbraw/zinc/36/32/90/280363290.db2.gz PPEPTHFOTISNJR-LBPRGKRZSA-N 1 2 322.258 2.623 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)C2)c(F)c1 ZINC000330710809 280363293 /nfs/dbraw/zinc/36/32/93/280363293.db2.gz PPEPTHFOTISNJR-LBPRGKRZSA-N 1 2 322.258 2.623 20 5 DFBDLO Cn1cc([C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)cn1 ZINC000276292612 294278600 /nfs/dbraw/zinc/27/86/00/294278600.db2.gz IFMJKYQZJJTALE-AWEZNQCLSA-N 1 2 304.325 2.805 20 5 DFBDLO Cn1cc([C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)cn1 ZINC000276292612 294278601 /nfs/dbraw/zinc/27/86/01/294278601.db2.gz IFMJKYQZJJTALE-AWEZNQCLSA-N 1 2 304.325 2.805 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000156317159 295334428 /nfs/dbraw/zinc/33/44/28/295334428.db2.gz FPQFHRLIDFJJFL-ZDUSSCGKSA-N 1 2 317.320 2.782 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000156317159 295334429 /nfs/dbraw/zinc/33/44/29/295334429.db2.gz FPQFHRLIDFJJFL-ZDUSSCGKSA-N 1 2 317.320 2.782 20 5 DFBDLO CCOc1cc(C[NH2+][C@H](C)c2csnn2)ccc1[N+](=O)[O-] ZINC000412037130 295579991 /nfs/dbraw/zinc/57/99/91/295579991.db2.gz IZXMHJMNCBGFME-SECBINFHSA-N 1 2 308.363 2.696 20 5 DFBDLO Cc1c(CC(=O)Nc2cccc3[nH+]ccn32)cccc1[N+](=O)[O-] ZINC000439968939 297141811 /nfs/dbraw/zinc/14/18/11/297141811.db2.gz RDYRYVSMAYREGG-UHFFFAOYSA-N 1 2 310.313 2.732 20 5 DFBDLO CC[C@H](NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)c1[nH]cc[nH+]1 ZINC000442804224 297207425 /nfs/dbraw/zinc/20/74/25/297207425.db2.gz VWWBITOLEBYECB-RNCFNFMXSA-N 1 2 320.324 2.828 20 5 DFBDLO Cc1ncsc1C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444620302 297242006 /nfs/dbraw/zinc/24/20/06/297242006.db2.gz NJDHIMUXBJKREC-UHFFFAOYSA-N 1 2 317.374 2.868 20 5 DFBDLO Cc1ncsc1C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444620302 297242007 /nfs/dbraw/zinc/24/20/07/297242007.db2.gz NJDHIMUXBJKREC-UHFFFAOYSA-N 1 2 317.374 2.868 20 5 DFBDLO CC[C@H](C)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448793782 297369021 /nfs/dbraw/zinc/36/90/21/297369021.db2.gz SXVDURFJTHJLAT-RYUDHWBXSA-N 1 2 316.361 2.945 20 5 DFBDLO CC[C@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448847784 297375068 /nfs/dbraw/zinc/37/50/68/297375068.db2.gz VTRLRTUMKGWAFX-NSHDSACASA-N 1 2 302.334 2.651 20 5 DFBDLO COc1nccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000449010503 297390283 /nfs/dbraw/zinc/39/02/83/297390283.db2.gz LVAJOTDFAZRECA-UHFFFAOYSA-N 1 2 314.345 2.558 20 5 DFBDLO COc1nccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000449010503 297390284 /nfs/dbraw/zinc/39/02/84/297390284.db2.gz LVAJOTDFAZRECA-UHFFFAOYSA-N 1 2 314.345 2.558 20 5 DFBDLO CCCC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000449244020 297428497 /nfs/dbraw/zinc/42/84/97/297428497.db2.gz PABOVEWPKNZILP-OCCSQVGLSA-N 1 2 308.378 2.847 20 5 DFBDLO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nnc2n1CCCC2 ZINC000449459723 297472026 /nfs/dbraw/zinc/47/20/26/297472026.db2.gz LKMUPQCIALORSA-UHFFFAOYSA-N 1 2 315.377 2.548 20 5 DFBDLO Cc1cc(NC(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)ccc1[N+](=O)[O-] ZINC000455082205 298296374 /nfs/dbraw/zinc/29/63/74/298296374.db2.gz ITTWHCNIKWFPNL-CMPLNLGQSA-N 1 2 315.333 2.927 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000455189247 298316068 /nfs/dbraw/zinc/31/60/68/298316068.db2.gz NLPKQHJJPLGEJG-ZWNOBZJWSA-N 1 2 315.333 2.927 20 5 DFBDLO Cc1cc(C)c(CNC(=O)CCc2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000456845712 298589488 /nfs/dbraw/zinc/58/94/88/298589488.db2.gz STGRTIOIAYZRNQ-UHFFFAOYSA-N 1 2 313.357 2.856 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccc3[nH]cnc3c1)CCO2 ZINC000515462705 300307931 /nfs/dbraw/zinc/30/79/31/300307931.db2.gz DFDOQYHEBZOQGF-UHFFFAOYSA-N 1 2 324.340 2.866 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccc3[nH]cnc3c1)CCO2 ZINC000515462705 300307933 /nfs/dbraw/zinc/30/79/33/300307933.db2.gz DFDOQYHEBZOQGF-UHFFFAOYSA-N 1 2 324.340 2.866 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccc3nc[nH]c3c1)CCO2 ZINC000515462705 300307936 /nfs/dbraw/zinc/30/79/36/300307936.db2.gz DFDOQYHEBZOQGF-UHFFFAOYSA-N 1 2 324.340 2.866 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccc3nc[nH]c3c1)CCO2 ZINC000515462705 300307940 /nfs/dbraw/zinc/30/79/40/300307940.db2.gz DFDOQYHEBZOQGF-UHFFFAOYSA-N 1 2 324.340 2.866 20 5 DFBDLO COc1cc(C(=O)Nc2cc(C)[nH+]cc2C)cc([N+](=O)[O-])c1C ZINC000517065227 300381171 /nfs/dbraw/zinc/38/11/71/300381171.db2.gz FLUDEHWBSYLRMV-UHFFFAOYSA-N 1 2 315.329 2.598 20 5 DFBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCCc2ccc(C)[nH+]c2)c1 ZINC000542043103 301407187 /nfs/dbraw/zinc/40/71/87/301407187.db2.gz VVKLPSFXXKADBY-UHFFFAOYSA-N 1 2 315.329 2.739 20 5 DFBDLO Cn1cc[nH+]c1[C@@H](NCC(C)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000550883021 301653623 /nfs/dbraw/zinc/65/36/23/301653623.db2.gz WIXCLLMBUYDWNK-LBPRGKRZSA-N 1 2 310.304 2.663 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120157096 301862051 /nfs/dbraw/zinc/86/20/51/301862051.db2.gz VSCNSHDEMWBBEW-CQSZACIVSA-N 1 2 314.345 2.994 20 5 DFBDLO CCO[C@H](C)c1noc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000173449521 315957647 /nfs/dbraw/zinc/95/76/47/315957647.db2.gz MBEXUVUPOKZGSF-WDEREUQCSA-N 1 2 320.349 2.926 20 5 DFBDLO Cc1nnc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1C1CC1 ZINC000180405417 316032887 /nfs/dbraw/zinc/03/28/87/316032887.db2.gz QLFCWCMKDRRULJ-JTQLQIEISA-N 1 2 301.350 2.680 20 5 DFBDLO CC(=O)Nc1nc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000180415530 316033000 /nfs/dbraw/zinc/03/30/00/316033000.db2.gz AGZRZNQFBXVZDE-VIFPVBQESA-N 1 2 320.374 2.861 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000421797062 316767226 /nfs/dbraw/zinc/76/72/26/316767226.db2.gz RKCBUUCELPECKY-CYBMUJFWSA-N 1 2 314.345 2.912 20 5 DFBDLO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000456168681 317224735 /nfs/dbraw/zinc/22/47/35/317224735.db2.gz RMCDTCYDOOPUFN-UHFFFAOYSA-N 1 2 317.349 2.710 20 5 DFBDLO CC1(C)C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]2COC[C@@H]21 ZINC000578485769 318263769 /nfs/dbraw/zinc/26/37/69/318263769.db2.gz QLBNXYCCHWYZJB-SMDDNHRTSA-N 1 2 312.316 2.730 20 5 DFBDLO CC1(C)C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]2COC[C@@H]21 ZINC000578485769 318263771 /nfs/dbraw/zinc/26/37/71/318263771.db2.gz QLBNXYCCHWYZJB-SMDDNHRTSA-N 1 2 312.316 2.730 20 5 DFBDLO Cc1ccc([C@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000578775565 318284822 /nfs/dbraw/zinc/28/48/22/318284822.db2.gz BYBJWSLPOOLSAT-STQMWFEESA-N 1 2 316.361 2.928 20 5 DFBDLO COc1cc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)ccc1C ZINC000579609391 318342984 /nfs/dbraw/zinc/34/29/84/318342984.db2.gz WEUMRUHKDXRKHF-UHFFFAOYSA-N 1 2 313.357 2.865 20 5 DFBDLO COc1cc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)ccc1C ZINC000579609391 318342986 /nfs/dbraw/zinc/34/29/86/318342986.db2.gz WEUMRUHKDXRKHF-UHFFFAOYSA-N 1 2 313.357 2.865 20 5 DFBDLO C[C@H](C(=O)NC1CCCCC1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192635254 323246003 /nfs/dbraw/zinc/24/60/03/323246003.db2.gz CPKAVUCCVHPIDB-CYBMUJFWSA-N 1 2 319.405 2.864 20 5 DFBDLO C[C@H](C(=O)NC1CCCCC1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192635254 323246007 /nfs/dbraw/zinc/24/60/07/323246007.db2.gz CPKAVUCCVHPIDB-CYBMUJFWSA-N 1 2 319.405 2.864 20 5 DFBDLO CC(C)CN(C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000194174999 323264899 /nfs/dbraw/zinc/26/48/99/323264899.db2.gz ZJRWTMLKWWJDEV-UHFFFAOYSA-N 1 2 321.421 2.920 20 5 DFBDLO CC(C)CN(C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000194174999 323264904 /nfs/dbraw/zinc/26/49/04/323264904.db2.gz ZJRWTMLKWWJDEV-UHFFFAOYSA-N 1 2 321.421 2.920 20 5 DFBDLO CCOc1cccc(NC[C@H](C)[N@@H+]2CCOC[C@H]2C)c1[N+](=O)[O-] ZINC000302238169 528673842 /nfs/dbraw/zinc/67/38/42/528673842.db2.gz WOJSAIIKHMFTPQ-QWHCGFSZSA-N 1 2 323.393 2.515 20 5 DFBDLO CCOc1cccc(NC[C@H](C)[N@H+]2CCOC[C@H]2C)c1[N+](=O)[O-] ZINC000302238169 528673848 /nfs/dbraw/zinc/67/38/48/528673848.db2.gz WOJSAIIKHMFTPQ-QWHCGFSZSA-N 1 2 323.393 2.515 20 5 DFBDLO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286542385 219045456 /nfs/dbraw/zinc/04/54/56/219045456.db2.gz ULBCFWWQVOPTAR-XPTSAGLGSA-N 1 2 300.305 2.608 20 5 DFBDLO C[C@H](O)[C@@H]1CCCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286542385 219045458 /nfs/dbraw/zinc/04/54/58/219045458.db2.gz ULBCFWWQVOPTAR-XPTSAGLGSA-N 1 2 300.305 2.608 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1F ZINC000278537084 214220496 /nfs/dbraw/zinc/22/04/96/214220496.db2.gz FWTAFVMPSYCFMJ-VXGBXAGGSA-N 1 2 322.258 2.622 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1F ZINC000278537084 214220498 /nfs/dbraw/zinc/22/04/98/214220498.db2.gz FWTAFVMPSYCFMJ-VXGBXAGGSA-N 1 2 322.258 2.622 20 5 DFBDLO Cc1cc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc[nH+]1 ZINC000078892753 185123702 /nfs/dbraw/zinc/12/37/02/185123702.db2.gz DCAIXTYCJJWYIO-UHFFFAOYSA-N 1 2 323.312 2.736 20 5 DFBDLO CCn1cc[nH+]c1CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000295587395 529578861 /nfs/dbraw/zinc/57/88/61/529578861.db2.gz HJRIMWFOMVVXHL-UHFFFAOYSA-N 1 2 316.361 2.865 20 5 DFBDLO CC[C@H](NC(=O)c1ccc(SC)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000317701020 529568357 /nfs/dbraw/zinc/56/83/57/529568357.db2.gz HHBDNTPIGKKPPV-JTQLQIEISA-N 1 2 320.374 2.921 20 5 DFBDLO Cc1cnc(NCCc2cn3c(cccc3C)[nH+]2)c([N+](=O)[O-])c1 ZINC000592005910 398372027 /nfs/dbraw/zinc/37/20/27/398372027.db2.gz GGLZBHJWUUHUED-UHFFFAOYSA-N 1 2 311.345 2.909 20 5 DFBDLO Cn1ncc2c1nc[nH+]c2SCc1cccc([N+](=O)[O-])c1 ZINC000011675886 398383964 /nfs/dbraw/zinc/38/39/64/398383964.db2.gz KJSGGXHHCFNJNK-UHFFFAOYSA-N 1 2 301.331 2.564 20 5 DFBDLO CCO[C@@H]1C[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)[C@H]1OC ZINC000413237431 295689371 /nfs/dbraw/zinc/68/93/71/295689371.db2.gz RVLBLYROUJPNKX-RBSFLKMASA-N 1 2 317.345 2.747 20 5 DFBDLO CO[C@H](CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)[C@H]1CCOC1 ZINC000596318940 398385554 /nfs/dbraw/zinc/38/55/54/398385554.db2.gz QZZPWDBYRZYAOH-SWLSCSKDSA-N 1 2 317.345 2.606 20 5 DFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000592140662 398390120 /nfs/dbraw/zinc/39/01/20/398390120.db2.gz LHRMIQXMOKLQOW-IUODEOHRSA-N 1 2 308.403 2.864 20 5 DFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000592140662 398390121 /nfs/dbraw/zinc/39/01/21/398390121.db2.gz LHRMIQXMOKLQOW-IUODEOHRSA-N 1 2 308.403 2.864 20 5 DFBDLO COCC[C@@H](COC)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413307383 295695921 /nfs/dbraw/zinc/69/59/21/295695921.db2.gz HJYOZHUKGXRWBN-LBPRGKRZSA-N 1 2 305.334 2.606 20 5 DFBDLO COCC[C@H](COC)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413307382 295695987 /nfs/dbraw/zinc/69/59/87/295695987.db2.gz HJYOZHUKGXRWBN-GFCCVEGCSA-N 1 2 305.334 2.606 20 5 DFBDLO CC[C@@H]([NH2+]Cc1nnc2n1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000181553847 199316586 /nfs/dbraw/zinc/31/65/86/199316586.db2.gz KFWZGTAVZXOORK-CQSZACIVSA-N 1 2 315.377 2.764 20 5 DFBDLO Cc1cc(NCCc2[nH]c3ccc(F)cc3[nH+]2)ncc1[N+](=O)[O-] ZINC000085689332 398416684 /nfs/dbraw/zinc/41/66/84/398416684.db2.gz JFYLIUAEDZPSQW-UHFFFAOYSA-N 1 2 315.308 2.968 20 5 DFBDLO Cn1cnnc1[C@@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255326370 398424678 /nfs/dbraw/zinc/42/46/78/398424678.db2.gz ATUPJMCXTZVWIF-QZDDGCDVSA-N 1 2 313.361 2.574 20 5 DFBDLO Cn1cnnc1[C@@H]1CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255326370 398424680 /nfs/dbraw/zinc/42/46/80/398424680.db2.gz ATUPJMCXTZVWIF-QZDDGCDVSA-N 1 2 313.361 2.574 20 5 DFBDLO C[C@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@H](C)C1O ZINC000596470392 398421913 /nfs/dbraw/zinc/42/19/13/398421913.db2.gz UAZQBPRHLFXBCG-QWRGUYRKSA-N 1 2 301.346 2.596 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000088699855 398440114 /nfs/dbraw/zinc/44/01/14/398440114.db2.gz WKFVTIBAEAWZIF-UHFFFAOYSA-N 1 2 312.373 2.620 20 5 DFBDLO O=[N+]([O-])c1ccsc1N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000596515690 398436035 /nfs/dbraw/zinc/43/60/35/398436035.db2.gz WHFAXJJVNATKCD-CHWSQXEVSA-N 1 2 323.418 2.712 20 5 DFBDLO Cc1cc(N[C@@H](C)CCCO)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000088758268 398441703 /nfs/dbraw/zinc/44/17/03/398441703.db2.gz GRAFEOUKYCIUKP-NSHDSACASA-N 1 2 316.361 2.933 20 5 DFBDLO C[N@H+](CC(=O)NC1CCCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000026346294 398452488 /nfs/dbraw/zinc/45/24/88/398452488.db2.gz VQVHYXOAXAWGOM-UHFFFAOYSA-N 1 2 319.405 2.866 20 5 DFBDLO C[N@@H+](CC(=O)NC1CCCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000026346294 398452492 /nfs/dbraw/zinc/45/24/92/398452492.db2.gz VQVHYXOAXAWGOM-UHFFFAOYSA-N 1 2 319.405 2.866 20 5 DFBDLO COC(=O)c1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000026346851 282372772 /nfs/dbraw/zinc/37/27/72/282372772.db2.gz SGKOFXYKTYPUFM-UHFFFAOYSA-N 1 2 304.302 2.606 20 5 DFBDLO COC(=O)c1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000026346851 282372774 /nfs/dbraw/zinc/37/27/74/282372774.db2.gz SGKOFXYKTYPUFM-UHFFFAOYSA-N 1 2 304.302 2.606 20 5 DFBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000596867967 398519193 /nfs/dbraw/zinc/51/91/93/398519193.db2.gz URMNEYGKSOSVKA-LLVKDONJSA-N 1 2 317.349 2.828 20 5 DFBDLO Cn1c[nH+]cc1[C@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000589128334 398528872 /nfs/dbraw/zinc/52/88/72/398528872.db2.gz ZSVIUVUVXYDWCF-CQSZACIVSA-N 1 2 314.345 2.696 20 5 DFBDLO Cc1[nH+]c2n(c1C)CCN(c1ccnc3c1cccc3[N+](=O)[O-])C2 ZINC000590079838 398594623 /nfs/dbraw/zinc/59/46/23/398594623.db2.gz KHJCEIOTANJNTM-UHFFFAOYSA-N 1 2 323.356 2.977 20 5 DFBDLO Cc1cc(NC(=O)C[N@@H+](C)[C@H](C)c2ccccc2[N+](=O)[O-])no1 ZINC000072514939 398618310 /nfs/dbraw/zinc/61/83/10/398618310.db2.gz SDAXOJRCOVBZAU-LLVKDONJSA-N 1 2 318.333 2.523 20 5 DFBDLO Cc1cc(NC(=O)C[N@H+](C)[C@H](C)c2ccccc2[N+](=O)[O-])no1 ZINC000072514939 398618312 /nfs/dbraw/zinc/61/83/12/398618312.db2.gz SDAXOJRCOVBZAU-LLVKDONJSA-N 1 2 318.333 2.523 20 5 DFBDLO O=C(NCCCn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000043343279 398619746 /nfs/dbraw/zinc/61/97/46/398619746.db2.gz QLJFFQZPJNJVOR-UHFFFAOYSA-N 1 2 323.740 2.657 20 5 DFBDLO CCC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000590620024 398640540 /nfs/dbraw/zinc/64/05/40/398640540.db2.gz ZHTOVEREEITDRQ-LLVKDONJSA-N 1 2 302.334 2.699 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCN(c2cccs2)CC1 ZINC000093691989 398643052 /nfs/dbraw/zinc/64/30/52/398643052.db2.gz ZGRWMVNVSCHKLU-UHFFFAOYSA-N 1 2 319.386 2.684 20 5 DFBDLO CC[C@@H]1C[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CCS1 ZINC000072862579 398643088 /nfs/dbraw/zinc/64/30/88/398643088.db2.gz HWAXVWBGIBKALH-GFCCVEGCSA-N 1 2 323.418 2.669 20 5 DFBDLO CC[C@@H]1C[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CCS1 ZINC000072862579 398643090 /nfs/dbraw/zinc/64/30/90/398643090.db2.gz HWAXVWBGIBKALH-GFCCVEGCSA-N 1 2 323.418 2.669 20 5 DFBDLO C[C@H]([NH2+]Cc1cn(C(C)(C)C)nn1)c1cccc([N+](=O)[O-])c1 ZINC000189950049 186254040 /nfs/dbraw/zinc/25/40/40/186254040.db2.gz PKTDEIKNJQPSSE-NSHDSACASA-N 1 2 303.366 2.792 20 5 DFBDLO CCN(CC1CC1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000171944034 198012259 /nfs/dbraw/zinc/01/22/59/198012259.db2.gz OQPFRTFVPVKQFS-UHFFFAOYSA-N 1 2 314.345 2.653 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1ccc(C)cn1 ZINC000590754470 398667091 /nfs/dbraw/zinc/66/70/91/398667091.db2.gz CJZMIQMUHDUYCQ-UHFFFAOYSA-N 1 2 301.346 2.939 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1ccc(C)cn1 ZINC000590754470 398667094 /nfs/dbraw/zinc/66/70/94/398667094.db2.gz CJZMIQMUHDUYCQ-UHFFFAOYSA-N 1 2 301.346 2.939 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC[C@H]1CC(C)C ZINC000072979052 191262967 /nfs/dbraw/zinc/26/29/67/191262967.db2.gz ZFVCGSVRPIWIGO-OAHLLOKOSA-N 1 2 308.378 2.850 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC[C@H]1CC(C)C ZINC000072979052 191262969 /nfs/dbraw/zinc/26/29/69/191262969.db2.gz ZFVCGSVRPIWIGO-OAHLLOKOSA-N 1 2 308.378 2.850 20 5 DFBDLO CN(C(=O)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000046783571 398718982 /nfs/dbraw/zinc/71/89/82/398718982.db2.gz WIEHWFSBHQPMGZ-UHFFFAOYSA-N 1 2 319.405 2.818 20 5 DFBDLO CN(C(=O)C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000046783571 398718983 /nfs/dbraw/zinc/71/89/83/398718983.db2.gz WIEHWFSBHQPMGZ-UHFFFAOYSA-N 1 2 319.405 2.818 20 5 DFBDLO O=[N+]([O-])c1cnc(NCC[NH+]2Cc3ccccc3C2)c(F)c1 ZINC000591141738 398730827 /nfs/dbraw/zinc/73/08/27/398730827.db2.gz RCORWAIUGKCYNN-UHFFFAOYSA-N 1 2 302.309 2.557 20 5 DFBDLO O=[N+]([O-])c1cc(CN2CC[NH+](Cc3ccco3)CC2)cs1 ZINC000047265052 398742623 /nfs/dbraw/zinc/74/26/23/398742623.db2.gz CVYHCFOYFVTRPP-UHFFFAOYSA-N 1 2 307.375 2.567 20 5 DFBDLO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000591653586 398779646 /nfs/dbraw/zinc/77/96/46/398779646.db2.gz QUEHOKBCYQVIFK-HIFRSBDPSA-N 1 2 316.361 2.588 20 5 DFBDLO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000591631054 398778003 /nfs/dbraw/zinc/77/80/03/398778003.db2.gz NCNQDGNJZRZIAW-YGRLFVJLSA-N 1 2 320.324 2.732 20 5 DFBDLO CCn1cc[nH+]c1CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135235343 283212075 /nfs/dbraw/zinc/21/20/75/283212075.db2.gz BPJUQPSCKWBKHG-UHFFFAOYSA-N 1 2 300.362 2.976 20 5 DFBDLO CC(C)=CC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000276800665 213105701 /nfs/dbraw/zinc/10/57/01/213105701.db2.gz VSZJEXIWDNMEPR-OAHLLOKOSA-N 1 2 300.362 2.974 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075533122 398808569 /nfs/dbraw/zinc/80/85/69/398808569.db2.gz FRERBLNQAPKTGO-GFCCVEGCSA-N 1 2 314.345 2.646 20 5 DFBDLO O=[N+]([O-])c1ccccc1NCc1[nH+]ccn1CC(F)(F)F ZINC000075722593 398819776 /nfs/dbraw/zinc/81/97/76/398819776.db2.gz PIUQTDGXXOPBOJ-UHFFFAOYSA-N 1 2 300.240 2.966 20 5 DFBDLO COC(=O)c1ccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)o1 ZINC000153241655 283358973 /nfs/dbraw/zinc/35/89/73/283358973.db2.gz QAMCXTXGLRUILH-UHFFFAOYSA-N 1 2 316.313 2.533 20 5 DFBDLO COC(=O)c1ccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)o1 ZINC000153241655 283358974 /nfs/dbraw/zinc/35/89/74/283358974.db2.gz QAMCXTXGLRUILH-UHFFFAOYSA-N 1 2 316.313 2.533 20 5 DFBDLO COc1ccc(C[N@@H+]2CCOc3ccccc3C2)cc1[N+](=O)[O-] ZINC000076850037 398873094 /nfs/dbraw/zinc/87/30/94/398873094.db2.gz WKIXNKUFHHDCHN-UHFFFAOYSA-N 1 2 314.341 2.998 20 5 DFBDLO COc1ccc(C[N@H+]2CCOc3ccccc3C2)cc1[N+](=O)[O-] ZINC000076850037 398873097 /nfs/dbraw/zinc/87/30/97/398873097.db2.gz WKIXNKUFHHDCHN-UHFFFAOYSA-N 1 2 314.341 2.998 20 5 DFBDLO COC(=O)c1cc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)oc1C ZINC000053441755 398873841 /nfs/dbraw/zinc/87/38/41/398873841.db2.gz NNTBUQOWWFJZSY-UHFFFAOYSA-N 1 2 318.329 2.915 20 5 DFBDLO COC(=O)c1cc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)oc1C ZINC000053441755 398873844 /nfs/dbraw/zinc/87/38/44/398873844.db2.gz NNTBUQOWWFJZSY-UHFFFAOYSA-N 1 2 318.329 2.915 20 5 DFBDLO CC(C)(C)CCNC(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153384398 283365622 /nfs/dbraw/zinc/36/56/22/283365622.db2.gz ZUHDCJAQMXCFHM-UHFFFAOYSA-N 1 2 319.405 2.505 20 5 DFBDLO CC(C)(C)CCNC(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153384398 283365626 /nfs/dbraw/zinc/36/56/26/283365626.db2.gz ZUHDCJAQMXCFHM-UHFFFAOYSA-N 1 2 319.405 2.505 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cccnc1OC ZINC000595005552 398890357 /nfs/dbraw/zinc/89/03/57/398890357.db2.gz AJFOAJXFXDPNOM-LLVKDONJSA-N 1 2 317.345 2.858 20 5 DFBDLO CC[C@H](CCO)Nc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000077232205 398891779 /nfs/dbraw/zinc/89/17/79/398891779.db2.gz MQEQGNPUHBBTCJ-CYBMUJFWSA-N 1 2 316.361 2.933 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1snnc1C ZINC000595037454 398895845 /nfs/dbraw/zinc/89/58/45/398895845.db2.gz GGKJQBONXJWNMV-MRVPVSSYSA-N 1 2 308.363 2.614 20 5 DFBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2ncccn2)cc1[N+](=O)[O-] ZINC000595098582 398904914 /nfs/dbraw/zinc/90/49/14/398904914.db2.gz IYFFYMUBYOFZTP-LLVKDONJSA-N 1 2 302.334 2.634 20 5 DFBDLO CC(C)N1C[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1=O ZINC000599036211 398911006 /nfs/dbraw/zinc/91/10/06/398911006.db2.gz AXRIKPHQQOXKDG-LBPRGKRZSA-N 1 2 314.345 2.564 20 5 DFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC[C@@H](CCO)C1 ZINC000599039708 398911528 /nfs/dbraw/zinc/91/15/28/398911528.db2.gz VZWGBZPKHNDUEQ-LBPRGKRZSA-N 1 2 301.346 2.742 20 5 DFBDLO Cc1[nH+]c2n(c1C)CCN(c1ccc3cnccc3c1[N+](=O)[O-])C2 ZINC000599040778 398911696 /nfs/dbraw/zinc/91/16/96/398911696.db2.gz GVXQPZTVPZELMX-UHFFFAOYSA-N 1 2 323.356 2.977 20 5 DFBDLO C[C@@H](CC[S@@](C)=O)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599054514 398913760 /nfs/dbraw/zinc/91/37/60/398913760.db2.gz YRQLMUOVIHESFJ-CHNSCGDPSA-N 1 2 307.375 2.712 20 5 DFBDLO O=[N+]([O-])c1c(NCCOC[C@H]2CCOC2)ccc2c[nH+]ccc21 ZINC000599045962 398912814 /nfs/dbraw/zinc/91/28/14/398912814.db2.gz UONMMJDUWWYWNL-LBPRGKRZSA-N 1 2 317.345 2.608 20 5 DFBDLO Cc1noc(C[N@H+](C)CCOc2cccc(C)c2)c1[N+](=O)[O-] ZINC000595290800 398916643 /nfs/dbraw/zinc/91/66/43/398916643.db2.gz ZVVQNJKRGNGGMQ-UHFFFAOYSA-N 1 2 305.334 2.710 20 5 DFBDLO Cc1noc(C[N@@H+](C)CCOc2cccc(C)c2)c1[N+](=O)[O-] ZINC000595290800 398916646 /nfs/dbraw/zinc/91/66/46/398916646.db2.gz ZVVQNJKRGNGGMQ-UHFFFAOYSA-N 1 2 305.334 2.710 20 5 DFBDLO CO[C@H](CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000599099564 398921267 /nfs/dbraw/zinc/92/12/67/398921267.db2.gz ZYBHCSJHWUFPNH-IUODEOHRSA-N 1 2 317.345 2.606 20 5 DFBDLO C[C@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@@H]1CO ZINC000599111551 398922499 /nfs/dbraw/zinc/92/24/99/398922499.db2.gz JYVGSWQDRXPWPU-WCQYABFASA-N 1 2 301.346 2.598 20 5 DFBDLO Cc1nc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)co1 ZINC000595331278 398922625 /nfs/dbraw/zinc/92/26/25/398922625.db2.gz UHZWKHSRGQAKTL-UHFFFAOYSA-N 1 2 317.345 2.935 20 5 DFBDLO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])c1 ZINC000595411480 398933620 /nfs/dbraw/zinc/93/36/20/398933620.db2.gz QXABATOXPJXICY-VIFPVBQESA-N 1 2 318.333 2.700 20 5 DFBDLO COc1ccc([C@@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])cc1OC ZINC000595415048 398934423 /nfs/dbraw/zinc/93/44/23/398934423.db2.gz QHZYHYFLXZGONB-SECBINFHSA-N 1 2 321.333 2.759 20 5 DFBDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000595468488 398945407 /nfs/dbraw/zinc/94/54/07/398945407.db2.gz RQZMJGOUQYOPAE-XHBSWPGZSA-N 1 2 324.352 2.502 20 5 DFBDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000595468488 398945408 /nfs/dbraw/zinc/94/54/08/398945408.db2.gz RQZMJGOUQYOPAE-XHBSWPGZSA-N 1 2 324.352 2.502 20 5 DFBDLO Cc1noc(C[N@@H+]2CCC=C(c3cccnc3)C2)c1[N+](=O)[O-] ZINC000595498445 398950492 /nfs/dbraw/zinc/95/04/92/398950492.db2.gz SXGFPAQQWMVCIO-UHFFFAOYSA-N 1 2 300.318 2.576 20 5 DFBDLO Cc1noc(C[N@H+]2CCC=C(c3cccnc3)C2)c1[N+](=O)[O-] ZINC000595498445 398950493 /nfs/dbraw/zinc/95/04/93/398950493.db2.gz SXGFPAQQWMVCIO-UHFFFAOYSA-N 1 2 300.318 2.576 20 5 DFBDLO Cc1noc(C[N@@H+]2CCC=C(c3ccccn3)C2)c1[N+](=O)[O-] ZINC000595501320 398951060 /nfs/dbraw/zinc/95/10/60/398951060.db2.gz OCMVSSKWQFEPQA-UHFFFAOYSA-N 1 2 300.318 2.576 20 5 DFBDLO Cc1noc(C[N@H+]2CCC=C(c3ccccn3)C2)c1[N+](=O)[O-] ZINC000595501320 398951061 /nfs/dbraw/zinc/95/10/61/398951061.db2.gz OCMVSSKWQFEPQA-UHFFFAOYSA-N 1 2 300.318 2.576 20 5 DFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000292865668 223281642 /nfs/dbraw/zinc/28/16/42/223281642.db2.gz AQTQEYVFGFQOBL-KXUCPTDWSA-N 1 2 311.769 2.915 20 5 DFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@@H](C)[C@@H]1C ZINC000292865668 223281644 /nfs/dbraw/zinc/28/16/44/223281644.db2.gz AQTQEYVFGFQOBL-KXUCPTDWSA-N 1 2 311.769 2.915 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCCCNc1cccc[nH+]1 ZINC000194731624 201279087 /nfs/dbraw/zinc/27/90/87/201279087.db2.gz PTJNVRONDFNOCF-UHFFFAOYSA-N 1 2 314.345 2.530 20 5 DFBDLO COc1cc(C[N@@H+]2CCO[C@](C)(C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000595626662 399008982 /nfs/dbraw/zinc/00/89/82/399008982.db2.gz UKFUWIVMMBFXDD-INIZCTEOSA-N 1 2 324.352 2.743 20 5 DFBDLO COc1cc(C[N@H+]2CCO[C@](C)(C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000595626662 399008984 /nfs/dbraw/zinc/00/89/84/399008984.db2.gz UKFUWIVMMBFXDD-INIZCTEOSA-N 1 2 324.352 2.743 20 5 DFBDLO CC[C@H](C)[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(=O)OC ZINC000475136145 299343853 /nfs/dbraw/zinc/34/38/53/299343853.db2.gz HBSSWVRNRCVTFM-GXRMXGQASA-N 1 2 306.362 2.785 20 5 DFBDLO CC[C@H](C)[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(=O)OC ZINC000475136146 299344015 /nfs/dbraw/zinc/34/40/15/299344015.db2.gz HBSSWVRNRCVTFM-PSZCTONISA-N 1 2 306.362 2.785 20 5 DFBDLO CC(C)c1nnc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])n1C ZINC000271807293 209231796 /nfs/dbraw/zinc/23/17/96/209231796.db2.gz XYLSZCCXFRKEQI-LLVKDONJSA-N 1 2 303.366 2.698 20 5 DFBDLO COc1cccc2c1C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000599641924 399039988 /nfs/dbraw/zinc/03/99/88/399039988.db2.gz AUNLPCINYOWZBK-UHFFFAOYSA-N 1 2 314.341 2.998 20 5 DFBDLO COc1cccc2c1C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000599641924 399039992 /nfs/dbraw/zinc/03/99/92/399039992.db2.gz AUNLPCINYOWZBK-UHFFFAOYSA-N 1 2 314.341 2.998 20 5 DFBDLO CC[C@H](CO)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000271783844 209210974 /nfs/dbraw/zinc/21/09/74/209210974.db2.gz IASHHMIEDQONDD-GFCCVEGCSA-N 1 2 302.334 2.543 20 5 DFBDLO COCCCN(C)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000057828826 399063690 /nfs/dbraw/zinc/06/36/90/399063690.db2.gz CNLDMODVXLBBGL-UHFFFAOYSA-N 1 2 316.361 2.833 20 5 DFBDLO COC(=O)C[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C1CCCC1 ZINC000093707405 193296222 /nfs/dbraw/zinc/29/62/22/193296222.db2.gz ZAUCMFWSFIQWMC-UHFFFAOYSA-N 1 2 306.362 2.821 20 5 DFBDLO COC(=O)C[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C1CCCC1 ZINC000093707405 193296223 /nfs/dbraw/zinc/29/62/23/193296223.db2.gz ZAUCMFWSFIQWMC-UHFFFAOYSA-N 1 2 306.362 2.821 20 5 DFBDLO CC(C)OC(=O)[C@H](C)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093772938 193304472 /nfs/dbraw/zinc/30/44/72/193304472.db2.gz CTZQGNMQAOZVTO-XOVSCCBYSA-N 1 2 306.362 2.880 20 5 DFBDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093772938 193304473 /nfs/dbraw/zinc/30/44/73/193304473.db2.gz CTZQGNMQAOZVTO-XOVSCCBYSA-N 1 2 306.362 2.880 20 5 DFBDLO Cn1ccnc1[C@H]([NH2+][C@H]1CCC[C@H]1F)c1ccc([N+](=O)[O-])cc1 ZINC000340521891 284186747 /nfs/dbraw/zinc/18/67/47/284186747.db2.gz GPXKMAUINLYESC-QLFBSQMISA-N 1 2 318.352 2.898 20 5 DFBDLO Cc1cc(N2CC[NH+](Cc3ccncc3)CC2)c([N+](=O)[O-])s1 ZINC000596057003 399157618 /nfs/dbraw/zinc/15/76/18/399157618.db2.gz FGENXVRZZKJRPA-UHFFFAOYSA-N 1 2 318.402 2.682 20 5 DFBDLO Cc1cccn2cc(CCNc3nccc(C)c3[N+](=O)[O-])[nH+]c12 ZINC000080676280 399169114 /nfs/dbraw/zinc/16/91/14/399169114.db2.gz FDRVGFJGGRHFMP-UHFFFAOYSA-N 1 2 311.345 2.909 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000614253619 399190061 /nfs/dbraw/zinc/19/00/61/399190061.db2.gz ZCHLSSFGZVUHBQ-UHFFFAOYSA-N 1 2 306.362 2.693 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCOCC2(CCCC2)C1 ZINC000614253619 399190066 /nfs/dbraw/zinc/19/00/66/399190066.db2.gz ZCHLSSFGZVUHBQ-UHFFFAOYSA-N 1 2 306.362 2.693 20 5 DFBDLO Cc1occc1C[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000063559684 399194228 /nfs/dbraw/zinc/19/42/28/399194228.db2.gz TZFCULQDBIMDSY-UHFFFAOYSA-N 1 2 317.345 2.875 20 5 DFBDLO Cc1occc1C[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000063559684 399194230 /nfs/dbraw/zinc/19/42/30/399194230.db2.gz TZFCULQDBIMDSY-UHFFFAOYSA-N 1 2 317.345 2.875 20 5 DFBDLO CC[C@@H](C)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000420657547 296196443 /nfs/dbraw/zinc/19/64/43/296196443.db2.gz WWWAJBBYDWFBHO-CYBMUJFWSA-N 1 2 307.394 2.885 20 5 DFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccoc1 ZINC000342636236 284383019 /nfs/dbraw/zinc/38/30/19/284383019.db2.gz LWOTVMINNUGCFO-NSHDSACASA-N 1 2 303.318 2.647 20 5 DFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccoc1 ZINC000342636236 284383023 /nfs/dbraw/zinc/38/30/23/284383023.db2.gz LWOTVMINNUGCFO-NSHDSACASA-N 1 2 303.318 2.647 20 5 DFBDLO CC[C@@H]1C[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@@H](CC)O1 ZINC000420952832 296216816 /nfs/dbraw/zinc/21/68/16/296216816.db2.gz IOPVLOBDTSKZHZ-ZIAGYGMSSA-N 1 2 308.378 2.993 20 5 DFBDLO Cc1ccc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)o1 ZINC000601151813 399242620 /nfs/dbraw/zinc/24/26/20/399242620.db2.gz FIZPYFVGSZLKPH-UHFFFAOYSA-N 1 2 304.302 2.557 20 5 DFBDLO C[C@](CO)([NH2+]Cc1ccncc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000601148785 399240953 /nfs/dbraw/zinc/24/09/53/399240953.db2.gz GNFIVOVIRICUPI-OAHLLOKOSA-N 1 2 321.764 2.641 20 5 DFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000285243021 296240443 /nfs/dbraw/zinc/24/04/43/296240443.db2.gz GSYQIZVXFYQLKG-XJKSGUPXSA-N 1 2 306.362 2.537 20 5 DFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000285243021 296240444 /nfs/dbraw/zinc/24/04/44/296240444.db2.gz GSYQIZVXFYQLKG-XJKSGUPXSA-N 1 2 306.362 2.537 20 5 DFBDLO Cn1ccnc1[C@H]([NH2+]CC(C)(C)F)c1ccc([N+](=O)[O-])cc1 ZINC000601288462 399271196 /nfs/dbraw/zinc/27/11/96/399271196.db2.gz YMIADFUUFBFYKC-CYBMUJFWSA-N 1 2 306.341 2.755 20 5 DFBDLO Cc1c(Cl)c(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)nn1C ZINC000421393107 296252215 /nfs/dbraw/zinc/25/22/15/296252215.db2.gz OFFPVJVJHTVPGP-UHFFFAOYSA-N 1 2 308.769 2.888 20 5 DFBDLO O=[N+]([O-])c1ccc(NCCn2cc[nH+]c2)c(C(F)(F)F)c1 ZINC000041119996 183166975 /nfs/dbraw/zinc/16/69/75/183166975.db2.gz SXXVLIJMEHBELJ-UHFFFAOYSA-N 1 2 300.240 2.922 20 5 DFBDLO COc1c(C(=O)NCc2cc(C)[nH+]c(C)c2)cccc1[N+](=O)[O-] ZINC000421579599 296267793 /nfs/dbraw/zinc/26/77/93/296267793.db2.gz UOWMNNJEUMJOJV-UHFFFAOYSA-N 1 2 315.329 2.545 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609131469 399305007 /nfs/dbraw/zinc/30/50/07/399305007.db2.gz QKGJRDXXHUANCS-CQSZACIVSA-N 1 2 314.345 2.577 20 5 DFBDLO Cc1cccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000609131157 399304526 /nfs/dbraw/zinc/30/45/26/399304526.db2.gz IYXAWZUYQXTOOF-ZDUSSCGKSA-N 1 2 314.345 2.577 20 5 DFBDLO C[NH+](C)[C@@H](CNc1cccnc1[N+](=O)[O-])c1c(F)cccc1F ZINC000609670260 399329097 /nfs/dbraw/zinc/32/90/97/399329097.db2.gz LLXIORTVXQNQPX-ZDUSSCGKSA-N 1 2 322.315 2.983 20 5 DFBDLO COC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000344849654 284695727 /nfs/dbraw/zinc/69/57/27/284695727.db2.gz UWGJFEPWJBKOGN-CYBMUJFWSA-N 1 2 306.318 2.679 20 5 DFBDLO O=C(NCCCCn1cc[nH+]c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000609876082 399334919 /nfs/dbraw/zinc/33/49/19/399334919.db2.gz QNBQJXNONQZHTK-UHFFFAOYSA-N 1 2 322.752 2.655 20 5 DFBDLO COc1ccc([N+](=O)[O-])c(N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000610276423 399352623 /nfs/dbraw/zinc/35/26/23/399352623.db2.gz VCBGKFHXSAHJIK-LBPRGKRZSA-N 1 2 302.334 2.641 20 5 DFBDLO CCOc1cccc(N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000273808260 211077341 /nfs/dbraw/zinc/07/73/41/211077341.db2.gz AIIAROGENGMATQ-CHWSQXEVSA-N 1 2 323.393 2.515 20 5 DFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601977757 399373024 /nfs/dbraw/zinc/37/30/24/399373024.db2.gz SSKKJVJBEWPPEZ-GFCCVEGCSA-N 1 2 304.268 2.590 20 5 DFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601977757 399373028 /nfs/dbraw/zinc/37/30/28/399373028.db2.gz SSKKJVJBEWPPEZ-GFCCVEGCSA-N 1 2 304.268 2.590 20 5 DFBDLO CC(C)C[C@H](CO)[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285164812 218315697 /nfs/dbraw/zinc/31/56/97/218315697.db2.gz CELNBVOJDTUYCD-LLVKDONJSA-N 1 2 302.321 2.712 20 5 DFBDLO CC(C)C[C@H](CO)[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285164812 218315698 /nfs/dbraw/zinc/31/56/98/218315698.db2.gz CELNBVOJDTUYCD-LLVKDONJSA-N 1 2 302.321 2.712 20 5 DFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ncnn1C(C)(C)C ZINC000285309731 218374692 /nfs/dbraw/zinc/37/46/92/218374692.db2.gz LZXBRQGZZGYRKR-UHFFFAOYSA-N 1 2 317.393 2.616 20 5 DFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ncnn1C(C)(C)C ZINC000285309731 218374694 /nfs/dbraw/zinc/37/46/94/218374694.db2.gz LZXBRQGZZGYRKR-UHFFFAOYSA-N 1 2 317.393 2.616 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CCOC(C)(C)C ZINC000610859973 399412906 /nfs/dbraw/zinc/41/29/06/399412906.db2.gz YDGXCBFORRPRGG-UHFFFAOYSA-N 1 2 323.393 2.589 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CCOC(C)(C)C ZINC000610859973 399412910 /nfs/dbraw/zinc/41/29/10/399412910.db2.gz YDGXCBFORRPRGG-UHFFFAOYSA-N 1 2 323.393 2.589 20 5 DFBDLO C[N@H+](Cc1cc(Br)c([N+](=O)[O-])s1)[C@H]1CCOC1 ZINC000602462944 399450508 /nfs/dbraw/zinc/45/05/08/399450508.db2.gz QGKGPUCWLMVWGK-ZETCQYMHSA-N 1 2 321.196 2.640 20 5 DFBDLO C[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)[C@H]1CCOC1 ZINC000602462944 399450513 /nfs/dbraw/zinc/45/05/13/399450513.db2.gz QGKGPUCWLMVWGK-ZETCQYMHSA-N 1 2 321.196 2.640 20 5 DFBDLO Cn1ccnc1[C@@H](C1CC1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000602439717 399444714 /nfs/dbraw/zinc/44/47/14/399444714.db2.gz LULRBIWKIANYLP-OAHLLOKOSA-N 1 2 300.362 2.911 20 5 DFBDLO Cn1ccnc1[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000602439717 399444715 /nfs/dbraw/zinc/44/47/15/399444715.db2.gz LULRBIWKIANYLP-OAHLLOKOSA-N 1 2 300.362 2.911 20 5 DFBDLO CN(Cc1ccccc1[N+](=O)[O-])[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000602439717 399444717 /nfs/dbraw/zinc/44/47/17/399444717.db2.gz LULRBIWKIANYLP-OAHLLOKOSA-N 1 2 300.362 2.911 20 5 DFBDLO COCc1nc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cs1 ZINC000294469554 224043259 /nfs/dbraw/zinc/04/32/59/224043259.db2.gz WPAKDVWEHFWGMK-SECBINFHSA-N 1 2 322.390 2.631 20 5 DFBDLO C[C@H]([NH2+]Cc1cc2c(cn1)OCCO2)c1ccccc1[N+](=O)[O-] ZINC000602581072 399482094 /nfs/dbraw/zinc/48/20/94/399482094.db2.gz GYKIOHYOJMXCSD-NSHDSACASA-N 1 2 315.329 2.612 20 5 DFBDLO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000611577015 399495512 /nfs/dbraw/zinc/49/55/12/399495512.db2.gz ZHOXCNOANDXXKK-HNNXBMFYSA-N 1 2 306.362 2.821 20 5 DFBDLO COC(=O)[C@@H]1CCCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000611577015 399495515 /nfs/dbraw/zinc/49/55/15/399495515.db2.gz ZHOXCNOANDXXKK-HNNXBMFYSA-N 1 2 306.362 2.821 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CCC(c3c[nH]c[nH+]3)CC2)n1 ZINC000611616946 399498906 /nfs/dbraw/zinc/49/89/06/399498906.db2.gz REORNTCDPNFMRV-UHFFFAOYSA-N 1 2 301.350 2.714 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CCC(c3c[nH+]c[nH]3)CC2)n1 ZINC000611616946 399498909 /nfs/dbraw/zinc/49/89/09/399498909.db2.gz REORNTCDPNFMRV-UHFFFAOYSA-N 1 2 301.350 2.714 20 5 DFBDLO Cc1ccccc1[C@@H](CO)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000611683080 399505064 /nfs/dbraw/zinc/50/50/64/399505064.db2.gz UENWQGYEXZJOIQ-OAHLLOKOSA-N 1 2 304.321 2.866 20 5 DFBDLO O=[N+]([O-])c1ccc2ncnc(N3CCCC[C@@H]3c3[nH]cc[nH+]3)c2c1 ZINC000611709906 399509765 /nfs/dbraw/zinc/50/97/65/399509765.db2.gz VAUBBTLPYABCGK-CQSZACIVSA-N 1 2 324.344 2.993 20 5 DFBDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000492308915 299560004 /nfs/dbraw/zinc/56/00/04/299560004.db2.gz AYFPRNORJCZNAZ-SREVYHEPSA-N 1 2 300.318 2.772 20 5 DFBDLO COCCC1(C)C[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602689157 399521759 /nfs/dbraw/zinc/52/17/59/399521759.db2.gz SIPOLLBNEZCDRP-UHFFFAOYSA-N 1 2 305.334 2.594 20 5 DFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCn2c[nH+]cc2C1 ZINC000290648205 285085914 /nfs/dbraw/zinc/08/59/14/285085914.db2.gz IMRZSWVEYIFCIG-UHFFFAOYSA-N 1 2 312.251 2.830 20 5 DFBDLO Cn1cc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)nn1 ZINC000611973469 399553134 /nfs/dbraw/zinc/55/31/34/399553134.db2.gz HCALDQHMWIGCRA-QGZVFWFLSA-N 1 2 323.356 2.603 20 5 DFBDLO COCc1cccc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000347788883 285175202 /nfs/dbraw/zinc/17/52/02/285175202.db2.gz RLTCDLWDSYNKDZ-UHFFFAOYSA-N 1 2 313.357 2.695 20 5 DFBDLO COCc1cccc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000347788883 285175204 /nfs/dbraw/zinc/17/52/04/285175204.db2.gz RLTCDLWDSYNKDZ-UHFFFAOYSA-N 1 2 313.357 2.695 20 5 DFBDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000154920380 197005020 /nfs/dbraw/zinc/00/50/20/197005020.db2.gz FDMSLDISUWMYCQ-UHFFFAOYSA-N 1 2 322.752 2.607 20 5 DFBDLO Cn1cc[nH+]c1[C@H]1N(Cc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000294789298 224222251 /nfs/dbraw/zinc/22/22/51/224222251.db2.gz LVYMLGDVAFIFAJ-CQSZACIVSA-N 1 2 300.362 2.911 20 5 DFBDLO O=C1CCCCN1C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000120438423 195166479 /nfs/dbraw/zinc/16/64/79/195166479.db2.gz RDTHOCKDRDBLCS-UHFFFAOYSA-N 1 2 323.418 2.633 20 5 DFBDLO Cn1cc(C2=CCC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)cn1 ZINC000602886179 399615749 /nfs/dbraw/zinc/61/57/49/399615749.db2.gz IBGCTYPAMVSWLR-UHFFFAOYSA-N 1 2 304.375 2.679 20 5 DFBDLO Cn1cc(C2=CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)cn1 ZINC000602886179 399615755 /nfs/dbraw/zinc/61/57/55/399615755.db2.gz IBGCTYPAMVSWLR-UHFFFAOYSA-N 1 2 304.375 2.679 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000602886077 399616290 /nfs/dbraw/zinc/61/62/90/399616290.db2.gz IXICUFQOCUZFSQ-AWEZNQCLSA-N 1 2 302.334 2.664 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000602886077 399616294 /nfs/dbraw/zinc/61/62/94/399616294.db2.gz IXICUFQOCUZFSQ-AWEZNQCLSA-N 1 2 302.334 2.664 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000347966136 285273548 /nfs/dbraw/zinc/27/35/48/285273548.db2.gz KXICRTQCTQMNRE-NWDGAFQWSA-N 1 2 322.258 2.622 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000347966136 285273550 /nfs/dbraw/zinc/27/35/50/285273550.db2.gz KXICRTQCTQMNRE-NWDGAFQWSA-N 1 2 322.258 2.622 20 5 DFBDLO CCc1ccc(Oc2cc(-n3cc[nH+]c3)ncn2)c([N+](=O)[O-])c1 ZINC000077225027 542477608 /nfs/dbraw/zinc/47/76/08/542477608.db2.gz ZAKODQPDYYQUJU-UHFFFAOYSA-N 1 2 311.301 2.925 20 5 DFBDLO Cc1cc(Cl)c(C(=O)N(C)Cc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000294922441 224313986 /nfs/dbraw/zinc/31/39/86/224313986.db2.gz TYSDDRPGOQWDDN-UHFFFAOYSA-N 1 2 322.752 2.562 20 5 DFBDLO O=C(C[NH+]1CCC(CCF)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000602948703 399636090 /nfs/dbraw/zinc/63/60/90/399636090.db2.gz SCDJBDMAVXBJCS-UHFFFAOYSA-N 1 2 309.341 2.605 20 5 DFBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCO[C@H](c3ccco3)C2)c1 ZINC000121110788 195295033 /nfs/dbraw/zinc/29/50/33/195295033.db2.gz ARKVEQXRNRORIX-INIZCTEOSA-N 1 2 318.329 2.640 20 5 DFBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCO[C@H](c3ccco3)C2)c1 ZINC000121110788 195295035 /nfs/dbraw/zinc/29/50/35/195295035.db2.gz ARKVEQXRNRORIX-INIZCTEOSA-N 1 2 318.329 2.640 20 5 DFBDLO O=[N+]([O-])c1ncccc1NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000603846000 399808627 /nfs/dbraw/zinc/80/86/27/399808627.db2.gz VKCMCYPRVHAZSB-UHFFFAOYSA-N 1 2 303.709 2.903 20 5 DFBDLO CC(C)[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1[nH]cc[nH+]1 ZINC000289332292 543006696 /nfs/dbraw/zinc/00/66/96/543006696.db2.gz YEZZLQVNAZDYSM-GFCCVEGCSA-N 1 2 321.312 2.976 20 5 DFBDLO COc1cc(CCNc2cccc[nH+]2)c([N+](=O)[O-])cc1OC ZINC000052721253 425885550 /nfs/dbraw/zinc/88/55/50/425885550.db2.gz LCUDICYXHHOKFY-UHFFFAOYSA-N 1 2 303.318 2.662 20 5 DFBDLO CNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000172148392 145292503 /nfs/dbraw/zinc/29/25/03/145292503.db2.gz JHVHUZCLXUPFLA-UHFFFAOYSA-N 1 2 313.357 2.586 20 5 DFBDLO CNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000172148392 145292505 /nfs/dbraw/zinc/29/25/05/145292505.db2.gz JHVHUZCLXUPFLA-UHFFFAOYSA-N 1 2 313.357 2.586 20 5 DFBDLO Cc1ccccc1C[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000355560220 147364584 /nfs/dbraw/zinc/36/45/84/147364584.db2.gz WSTZZCORIPLJEL-UHFFFAOYSA-N 1 2 300.362 2.801 20 5 DFBDLO Cc1ccccc1C[N@H+](Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000355560220 147364587 /nfs/dbraw/zinc/36/45/87/147364587.db2.gz WSTZZCORIPLJEL-UHFFFAOYSA-N 1 2 300.362 2.801 20 5 DFBDLO C[C@@H](c1c(F)cccc1F)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000358279690 148316746 /nfs/dbraw/zinc/31/67/46/148316746.db2.gz XLTUJOKVTSSTFB-JTQLQIEISA-N 1 2 310.304 2.763 20 5 DFBDLO C[C@@H](c1c(F)cccc1F)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000358279690 148316748 /nfs/dbraw/zinc/31/67/48/148316748.db2.gz XLTUJOKVTSSTFB-JTQLQIEISA-N 1 2 310.304 2.763 20 5 DFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000362590047 149317174 /nfs/dbraw/zinc/31/71/74/149317174.db2.gz IPHOXVWABXBFDH-CXAGYDPISA-N 1 2 320.389 2.783 20 5 DFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000362590047 149317177 /nfs/dbraw/zinc/31/71/77/149317177.db2.gz IPHOXVWABXBFDH-CXAGYDPISA-N 1 2 320.389 2.783 20 5 DFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](COCC2CC2)C1 ZINC000362608049 149323121 /nfs/dbraw/zinc/32/31/21/149323121.db2.gz XOBBAGDNKRJMLR-HIFRSBDPSA-N 1 2 320.389 2.783 20 5 DFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](COCC2CC2)C1 ZINC000362608049 149323125 /nfs/dbraw/zinc/32/31/25/149323125.db2.gz XOBBAGDNKRJMLR-HIFRSBDPSA-N 1 2 320.389 2.783 20 5 DFBDLO COc1ccc(C[NH2+]Cc2c(F)ccc(O)c2F)cc1[N+](=O)[O-] ZINC000352261365 286330942 /nfs/dbraw/zinc/33/09/42/286330942.db2.gz PYXIIAUVWNTQFA-UHFFFAOYSA-N 1 2 324.283 2.877 20 5 DFBDLO O=[N+]([O-])c1ccc(CNc2[nH]c(C(F)(F)F)c[nH+]2)c(F)c1 ZINC000357704204 158365378 /nfs/dbraw/zinc/36/53/78/158365378.db2.gz MGLXQSMAKOYKJJ-UHFFFAOYSA-N 1 2 304.203 2.510 20 5 DFBDLO CN(CCCn1cc[nH+]c1)c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432335029 296872653 /nfs/dbraw/zinc/87/26/53/296872653.db2.gz ISBOXCWXTCQYSX-UHFFFAOYSA-N 1 2 311.345 2.866 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC3(C2)OCCO3)c(Cl)c1 ZINC000134007645 196353563 /nfs/dbraw/zinc/35/35/63/196353563.db2.gz IEOKKZAJEJRKAX-UHFFFAOYSA-N 1 2 312.753 2.587 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCC3(C2)OCCO3)c(Cl)c1 ZINC000134007645 196353564 /nfs/dbraw/zinc/35/35/64/196353564.db2.gz IEOKKZAJEJRKAX-UHFFFAOYSA-N 1 2 312.753 2.587 20 5 DFBDLO C[NH+](C)Cc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000433380374 296909775 /nfs/dbraw/zinc/90/97/75/296909775.db2.gz BBHRXSNMACBNGN-UHFFFAOYSA-N 1 2 315.329 2.614 20 5 DFBDLO Cc1nc(Nc2ccc(N3CCCCC3)[nH+]c2)ncc1[N+](=O)[O-] ZINC000296568406 226000979 /nfs/dbraw/zinc/00/09/79/226000979.db2.gz QFXFDLOYFYOREG-UHFFFAOYSA-N 1 2 314.349 2.822 20 5 DFBDLO Cc1ccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000299517999 229173604 /nfs/dbraw/zinc/17/36/04/229173604.db2.gz KXBLICRGDSHTFC-UHFFFAOYSA-N 1 2 314.345 2.646 20 5 DFBDLO C[C@@H](C(=O)Nc1nccs1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599359 425865580 /nfs/dbraw/zinc/86/55/80/425865580.db2.gz AADDXFRWNIJHIF-JTQLQIEISA-N 1 2 320.374 2.510 20 5 DFBDLO C[C@@H](C(=O)Nc1nccs1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599359 425865581 /nfs/dbraw/zinc/86/55/81/425865581.db2.gz AADDXFRWNIJHIF-JTQLQIEISA-N 1 2 320.374 2.510 20 5 DFBDLO CC[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000245444546 268164189 /nfs/dbraw/zinc/16/41/89/268164189.db2.gz JSPYLAKMLVESPP-NEPJUHHUSA-N 1 2 323.418 2.749 20 5 DFBDLO CC[C@H]1C[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000245444546 268164190 /nfs/dbraw/zinc/16/41/90/268164190.db2.gz JSPYLAKMLVESPP-NEPJUHHUSA-N 1 2 323.418 2.749 20 5 DFBDLO C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000264308238 268172383 /nfs/dbraw/zinc/17/23/83/268172383.db2.gz SJRTWLZSFBUHEF-YPMHNXCESA-N 1 2 314.345 2.699 20 5 DFBDLO Cc1cc(N[C@@H]2CCO[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000270823069 268222539 /nfs/dbraw/zinc/22/25/39/268222539.db2.gz ZAQMMUIUSYFFOV-SMDDNHRTSA-N 1 2 314.345 2.950 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000304958102 268328348 /nfs/dbraw/zinc/32/83/48/268328348.db2.gz KCHFRLUNICFQQN-KRWDZBQOSA-N 1 2 316.332 2.826 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000304958102 268328349 /nfs/dbraw/zinc/32/83/49/268328349.db2.gz KCHFRLUNICFQQN-KRWDZBQOSA-N 1 2 316.332 2.826 20 5 DFBDLO CC[C@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000317453388 268345292 /nfs/dbraw/zinc/34/52/92/268345292.db2.gz ZOOSDNZAROFESP-UJZCVKTISA-N 1 2 300.318 2.599 20 5 DFBDLO C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000125005096 425950097 /nfs/dbraw/zinc/95/00/97/425950097.db2.gz OIXBFJKMTAEQQS-WFASDCNBSA-N 1 2 314.345 2.515 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H]1CCCC[C@@H]1OC(F)F ZINC000337275116 268471505 /nfs/dbraw/zinc/47/15/05/268471505.db2.gz FWFCGLAMLLJPEY-AAEUAGOBSA-N 1 2 316.304 2.940 20 5 DFBDLO Cc1nc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cs1 ZINC000073842063 426032442 /nfs/dbraw/zinc/03/24/42/426032442.db2.gz UWTUHJFDUJVGLI-UHFFFAOYSA-N 1 2 318.402 2.682 20 5 DFBDLO C[C@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCS1 ZINC000171691271 426204283 /nfs/dbraw/zinc/20/42/83/426204283.db2.gz GBRCAPLSZPUOCX-JTQLQIEISA-N 1 2 320.374 2.582 20 5 DFBDLO C[C@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCS1 ZINC000171691271 426204286 /nfs/dbraw/zinc/20/42/86/426204286.db2.gz GBRCAPLSZPUOCX-JTQLQIEISA-N 1 2 320.374 2.582 20 5 DFBDLO Cc1cc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ncc1[N+](=O)[O-] ZINC000134006060 426184568 /nfs/dbraw/zinc/18/45/68/426184568.db2.gz GVUHJNROBXWILK-SMDDNHRTSA-N 1 2 301.350 2.582 20 5 DFBDLO COc1c(C)c[nH+]c(CN(C)c2ncc([N+](=O)[O-])cc2C)c1C ZINC000080970794 426217995 /nfs/dbraw/zinc/21/79/95/426217995.db2.gz CHIVHPGJXLZUIM-UHFFFAOYSA-N 1 2 316.361 2.955 20 5 DFBDLO O=C(NCc1cccc([N+](=O)[O-])c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117632944 426219239 /nfs/dbraw/zinc/21/92/39/426219239.db2.gz LIYMEBZZBYOAOF-UHFFFAOYSA-N 1 2 322.324 2.711 20 5 DFBDLO Cc1cc(C(=O)NCc2cn3c(cccc3C)[nH+]2)cc([N+](=O)[O-])c1 ZINC000171939710 426220069 /nfs/dbraw/zinc/22/00/69/426220069.db2.gz JYKOVXGJVNJVCM-UHFFFAOYSA-N 1 2 324.340 2.789 20 5 DFBDLO Cc1sc(C(=O)NCCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000118724678 426242427 /nfs/dbraw/zinc/24/24/27/426242427.db2.gz LPFUNWFWVNFXEH-UHFFFAOYSA-N 1 2 320.374 2.592 20 5 DFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)[NH+]1CCCCCC1 ZINC000135341888 426214214 /nfs/dbraw/zinc/21/42/14/426214214.db2.gz RDBYNKDTQYPELH-NSHDSACASA-N 1 2 307.350 2.503 20 5 DFBDLO Cc1cc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000120193801 426306931 /nfs/dbraw/zinc/30/69/31/426306931.db2.gz DKMSOZJDWHSCFO-AWEZNQCLSA-N 1 2 314.345 2.994 20 5 DFBDLO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCSCC3)co2)cc1 ZINC000089886058 426315370 /nfs/dbraw/zinc/31/53/70/426315370.db2.gz PAKGGSDMMZJTPP-UHFFFAOYSA-N 1 2 305.359 2.799 20 5 DFBDLO COC(=O)c1coc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088606428 426277610 /nfs/dbraw/zinc/27/76/10/426277610.db2.gz VWPPBJPUBQOSJV-UHFFFAOYSA-N 1 2 316.313 2.533 20 5 DFBDLO COC(=O)c1coc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088606428 426277611 /nfs/dbraw/zinc/27/76/11/426277611.db2.gz VWPPBJPUBQOSJV-UHFFFAOYSA-N 1 2 316.313 2.533 20 5 DFBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2cn3cccnc3n2)C2CC2)c1 ZINC000153276459 426378674 /nfs/dbraw/zinc/37/86/74/426378674.db2.gz RKPSRCYOVVDBCD-UHFFFAOYSA-N 1 2 323.356 2.802 20 5 DFBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cn3cccnc3n2)C2CC2)c1 ZINC000153276459 426378677 /nfs/dbraw/zinc/37/86/77/426378677.db2.gz RKPSRCYOVVDBCD-UHFFFAOYSA-N 1 2 323.356 2.802 20 5 DFBDLO C[C@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000177538727 426493015 /nfs/dbraw/zinc/49/30/15/426493015.db2.gz PHYMDKCNEOHETM-JQWIXIFHSA-N 1 2 320.374 2.576 20 5 DFBDLO Cc1sc(C(=O)NCc2ccn3cc[nH+]c3c2)cc1[N+](=O)[O-] ZINC000178063821 426565219 /nfs/dbraw/zinc/56/52/19/426565219.db2.gz MKKHMEINDFHLGB-UHFFFAOYSA-N 1 2 316.342 2.542 20 5 DFBDLO COc1c(C)c[nH+]c(CN(C)c2nc(C)ccc2[N+](=O)[O-])c1C ZINC000178200847 426584949 /nfs/dbraw/zinc/58/49/49/426584949.db2.gz ZRJUDLXNGJJLRM-UHFFFAOYSA-N 1 2 316.361 2.955 20 5 DFBDLO C[C@H](N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000178277969 426597390 /nfs/dbraw/zinc/59/73/90/426597390.db2.gz DTYTTZIDCVATAC-NSHDSACASA-N 1 2 317.311 2.663 20 5 DFBDLO CCn1nc(C)c([N+](=O)[O-])c1NCc1cn2cc(C)ccc2[nH+]1 ZINC000280807275 426660985 /nfs/dbraw/zinc/66/09/85/426660985.db2.gz WLNUPMVSRWPOIV-UHFFFAOYSA-N 1 2 314.349 2.688 20 5 DFBDLO Cn1cc([C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000266982136 426806649 /nfs/dbraw/zinc/80/66/49/426806649.db2.gz ARVVOOCZPICATC-HNNXBMFYSA-N 1 2 304.325 2.805 20 5 DFBDLO Cn1cc([C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000266982136 426806655 /nfs/dbraw/zinc/80/66/55/426806655.db2.gz ARVVOOCZPICATC-HNNXBMFYSA-N 1 2 304.325 2.805 20 5 DFBDLO CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267051045 426815771 /nfs/dbraw/zinc/81/57/71/426815771.db2.gz QSVDHCVBZNECFM-ZDUSSCGKSA-N 1 2 323.368 2.615 20 5 DFBDLO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267051045 426815776 /nfs/dbraw/zinc/81/57/76/426815776.db2.gz QSVDHCVBZNECFM-ZDUSSCGKSA-N 1 2 323.368 2.615 20 5 DFBDLO C[NH+](C)[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000180771075 426886872 /nfs/dbraw/zinc/88/68/72/426886872.db2.gz OJCHFIDOIBASFM-HNNXBMFYSA-N 1 2 315.329 2.542 20 5 DFBDLO Cc1cc(N[C@@H](C)CCCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000268039765 426897147 /nfs/dbraw/zinc/89/71/47/426897147.db2.gz NPCYOVVOPUAYIZ-NSHDSACASA-N 1 2 316.361 2.933 20 5 DFBDLO CCOC(=O)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H](C)CC ZINC000181647495 426970635 /nfs/dbraw/zinc/97/06/35/426970635.db2.gz SVMOYCPULXZLHZ-IUODEOHRSA-N 1 2 308.378 2.705 20 5 DFBDLO C[C@@H]([NH2+]Cc1nnc(C2CCC2)n1C)c1cccc([N+](=O)[O-])c1 ZINC000181713464 426975655 /nfs/dbraw/zinc/97/56/55/426975655.db2.gz LXSIYOMVOWRGDQ-LLVKDONJSA-N 1 2 315.377 2.842 20 5 DFBDLO CC(C)c1ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000190142753 427029690 /nfs/dbraw/zinc/02/96/90/427029690.db2.gz AUYFRKUTVPEJCK-WBMJQRKESA-N 1 2 319.405 2.804 20 5 DFBDLO CC(C)c1ccc(C[N@H+]2CC[C@@H](C)C[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000190142753 427029695 /nfs/dbraw/zinc/02/96/95/427029695.db2.gz AUYFRKUTVPEJCK-WBMJQRKESA-N 1 2 319.405 2.804 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)c(Cl)c1 ZINC000182219356 427031919 /nfs/dbraw/zinc/03/19/19/427031919.db2.gz PZJMZCNPLYXOBD-NSHDSACASA-N 1 2 324.686 2.747 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c(Cl)c1 ZINC000182219356 427031924 /nfs/dbraw/zinc/03/19/24/427031924.db2.gz PZJMZCNPLYXOBD-NSHDSACASA-N 1 2 324.686 2.747 20 5 DFBDLO COc1cc(C[N@@H+]2CCC[C@@](C)(F)C2)c([N+](=O)[O-])cc1OC ZINC000296011698 427046914 /nfs/dbraw/zinc/04/69/14/427046914.db2.gz LRBMZVHSASMQMI-OAHLLOKOSA-N 1 2 312.341 2.936 20 5 DFBDLO COc1cc(C[N@H+]2CCC[C@@](C)(F)C2)c([N+](=O)[O-])cc1OC ZINC000296011698 427046921 /nfs/dbraw/zinc/04/69/21/427046921.db2.gz LRBMZVHSASMQMI-OAHLLOKOSA-N 1 2 312.341 2.936 20 5 DFBDLO CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)c1[nH]cc[nH+]1 ZINC000276554457 427098480 /nfs/dbraw/zinc/09/84/80/427098480.db2.gz GPIUAISQINHNRO-LBPRGKRZSA-N 1 2 306.297 2.584 20 5 DFBDLO CCOC(=O)[C@H](C)[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000190832450 427187750 /nfs/dbraw/zinc/18/77/50/427187750.db2.gz HKRCCILJFAPVJG-LBPRGKRZSA-N 1 2 306.362 2.553 20 5 DFBDLO CCOC(=O)[C@H](C)[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000190832450 427187754 /nfs/dbraw/zinc/18/77/54/427187754.db2.gz HKRCCILJFAPVJG-LBPRGKRZSA-N 1 2 306.362 2.553 20 5 DFBDLO CC[C@@H]([NH2+][C@@H](C)c1nc(COC)no1)c1cccc([N+](=O)[O-])c1 ZINC000183096879 427199362 /nfs/dbraw/zinc/19/93/62/427199362.db2.gz LAJBPEMBWRTLHS-GXFFZTMASA-N 1 2 320.349 2.926 20 5 DFBDLO Cc1nnc([C@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000285450789 427236657 /nfs/dbraw/zinc/23/66/57/427236657.db2.gz YMFFOXDMQILFDC-JTQLQIEISA-N 1 2 306.391 2.990 20 5 DFBDLO Cc1nnc([C@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000285450789 427236662 /nfs/dbraw/zinc/23/66/62/427236662.db2.gz YMFFOXDMQILFDC-JTQLQIEISA-N 1 2 306.391 2.990 20 5 DFBDLO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330456541 427244123 /nfs/dbraw/zinc/24/41/23/427244123.db2.gz PPOKEIXSQCDBRE-GDBMZVCRSA-N 1 2 308.378 2.984 20 5 DFBDLO O=[N+]([O-])c1ccccc1CCNc1cc(N2CCCC2)nc[nH+]1 ZINC000277745578 427305883 /nfs/dbraw/zinc/30/58/83/427305883.db2.gz JKCBRRSWZUUUSF-UHFFFAOYSA-N 1 2 313.361 2.640 20 5 DFBDLO O=[N+]([O-])c1ccccc1CCNc1cc(N2CCCC2)[nH+]cn1 ZINC000277745578 427305889 /nfs/dbraw/zinc/30/58/89/427305889.db2.gz JKCBRRSWZUUUSF-UHFFFAOYSA-N 1 2 313.361 2.640 20 5 DFBDLO CC(C)(C)n1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000191296325 427311120 /nfs/dbraw/zinc/31/11/20/427311120.db2.gz HFSWZYAUZQKUGQ-UHFFFAOYSA-N 1 2 317.393 2.966 20 5 DFBDLO CC(C)Oc1cc[nH+]cc1COC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000296968747 427290510 /nfs/dbraw/zinc/29/05/10/427290510.db2.gz VXKPQBPEXROMPB-UHFFFAOYSA-N 1 2 310.350 2.748 20 5 DFBDLO CCOc1cccc(NCC[N@@H+]2CCOCC2(C)C)c1[N+](=O)[O-] ZINC000184107824 427395844 /nfs/dbraw/zinc/39/58/44/427395844.db2.gz SISUDGWXERTFEA-UHFFFAOYSA-N 1 2 323.393 2.516 20 5 DFBDLO CCOc1cccc(NCC[N@H+]2CCOCC2(C)C)c1[N+](=O)[O-] ZINC000184107824 427395848 /nfs/dbraw/zinc/39/58/48/427395848.db2.gz SISUDGWXERTFEA-UHFFFAOYSA-N 1 2 323.393 2.516 20 5 DFBDLO CCn1cc[nH+]c1CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000297214083 427363860 /nfs/dbraw/zinc/36/38/60/427363860.db2.gz NIOSHNHSJQHEMQ-UHFFFAOYSA-N 1 2 322.752 2.703 20 5 DFBDLO CC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(N(C)C)[nH+]c1 ZINC000286253782 427470027 /nfs/dbraw/zinc/47/00/27/427470027.db2.gz VKCZIUKQSLFUDB-UHFFFAOYSA-N 1 2 314.345 2.871 20 5 DFBDLO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332231263 427552428 /nfs/dbraw/zinc/55/24/28/427552428.db2.gz OLONMVZCBWMEDV-ZJUUUORDSA-N 1 2 306.391 2.797 20 5 DFBDLO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332231263 427552433 /nfs/dbraw/zinc/55/24/33/427552433.db2.gz OLONMVZCBWMEDV-ZJUUUORDSA-N 1 2 306.391 2.797 20 5 DFBDLO C[C@H]1CCCC[C@@H]1OCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332440365 427612197 /nfs/dbraw/zinc/61/21/97/427612197.db2.gz BTKWGCRLBPHCBD-GUYCJALGSA-N 1 2 319.405 2.943 20 5 DFBDLO C[C@H]1CCCC[C@@H]1OCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332440365 427612204 /nfs/dbraw/zinc/61/22/04/427612204.db2.gz BTKWGCRLBPHCBD-GUYCJALGSA-N 1 2 319.405 2.943 20 5 DFBDLO CC[C@H](NC(=O)CCc1[nH]cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000279272705 427619797 /nfs/dbraw/zinc/61/97/97/427619797.db2.gz WLRIRMVLEVAICD-ZDUSSCGKSA-N 1 2 302.334 2.518 20 5 DFBDLO CC1(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCS1 ZINC000332246749 427557581 /nfs/dbraw/zinc/55/75/81/427557581.db2.gz QPRDZJDANTTXIY-UHFFFAOYSA-N 1 2 306.391 2.799 20 5 DFBDLO CC1(C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCS1 ZINC000332246749 427557587 /nfs/dbraw/zinc/55/75/87/427557587.db2.gz QPRDZJDANTTXIY-UHFFFAOYSA-N 1 2 306.391 2.799 20 5 DFBDLO C[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000332266566 427563843 /nfs/dbraw/zinc/56/38/43/427563843.db2.gz FVFHRJAGVJJVSV-BLLLJJGKSA-N 1 2 316.361 2.580 20 5 DFBDLO C[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000332266566 427563846 /nfs/dbraw/zinc/56/38/46/427563846.db2.gz FVFHRJAGVJJVSV-BLLLJJGKSA-N 1 2 316.361 2.580 20 5 DFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCCOCC2)c1 ZINC000338940576 427571658 /nfs/dbraw/zinc/57/16/58/427571658.db2.gz BHCYUCSRYOYAIY-UHFFFAOYSA-N 1 2 304.268 2.836 20 5 DFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCCOCC2)c1 ZINC000338940576 427571665 /nfs/dbraw/zinc/57/16/65/427571665.db2.gz BHCYUCSRYOYAIY-UHFFFAOYSA-N 1 2 304.268 2.836 20 5 DFBDLO CC(C)n1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000342196546 271964041 /nfs/dbraw/zinc/96/40/41/271964041.db2.gz XRZOFBIEBVXIQG-UHFFFAOYSA-N 1 2 303.366 2.792 20 5 DFBDLO Cn1cc([C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C(C)(C)C)cn1 ZINC000339077634 427665856 /nfs/dbraw/zinc/66/58/56/427665856.db2.gz RZPXWDNETKFXTO-OAHLLOKOSA-N 1 2 318.377 2.911 20 5 DFBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000339054305 427650712 /nfs/dbraw/zinc/65/07/12/427650712.db2.gz JSXFUOVGBVSPHI-ABAIWWIYSA-N 1 2 314.341 2.955 20 5 DFBDLO COC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000339067194 427657742 /nfs/dbraw/zinc/65/77/42/427657742.db2.gz HQTVOYOGYVTAIL-OAHLLOKOSA-N 1 2 302.330 2.778 20 5 DFBDLO COCC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccco1 ZINC000339085036 427669618 /nfs/dbraw/zinc/66/96/18/427669618.db2.gz OAVNXGCYUNIVBM-CYBMUJFWSA-N 1 2 306.318 2.761 20 5 DFBDLO COC[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000343347414 272123952 /nfs/dbraw/zinc/12/39/52/272123952.db2.gz QEIASGFRQXYSGZ-LYASGUKUSA-N 1 2 320.389 2.734 20 5 DFBDLO COC[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000343347414 272123953 /nfs/dbraw/zinc/12/39/53/272123953.db2.gz QEIASGFRQXYSGZ-LYASGUKUSA-N 1 2 320.389 2.734 20 5 DFBDLO Nc1c(C(=O)Nc2ccccc2-n2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000344995592 272391834 /nfs/dbraw/zinc/39/18/34/272391834.db2.gz SHBOWMDCCHYLQC-UHFFFAOYSA-N 1 2 323.312 2.615 20 5 DFBDLO C[C@@H]1C[N@H+](CCSc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000193503393 427696080 /nfs/dbraw/zinc/69/60/80/427696080.db2.gz JLOSVTAZLFPEDZ-SNVBAGLBSA-N 1 2 300.355 2.547 20 5 DFBDLO C[C@@H]1C[N@@H+](CCSc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000193503393 427696088 /nfs/dbraw/zinc/69/60/88/427696088.db2.gz JLOSVTAZLFPEDZ-SNVBAGLBSA-N 1 2 300.355 2.547 20 5 DFBDLO Cc1cc(NC[C@@H]2CCCO2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301106733 427775701 /nfs/dbraw/zinc/77/57/01/427775701.db2.gz RGMFAOLYLYSAKD-AWEZNQCLSA-N 1 2 314.345 2.951 20 5 DFBDLO Cc1cc(NCCn2cc[nH+]c2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301227591 427783090 /nfs/dbraw/zinc/78/30/90/427783090.db2.gz CQYHEDRLUVEWDC-UHFFFAOYSA-N 1 2 324.344 2.669 20 5 DFBDLO CN(C)c1ccc(CN(C)c2cccc(F)c2[N+](=O)[O-])c[nH+]1 ZINC000301805987 427826204 /nfs/dbraw/zinc/82/62/04/427826204.db2.gz ABXPBMNXEXDJSG-UHFFFAOYSA-N 1 2 304.325 2.831 20 5 DFBDLO Cc1cc(N[C@]2(C)CCOC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301806590 427826369 /nfs/dbraw/zinc/82/63/69/427826369.db2.gz AFJBTJRTQDFQFV-MRXNPFEDSA-N 1 2 314.345 2.951 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000337275117 427829363 /nfs/dbraw/zinc/82/93/63/427829363.db2.gz FWFCGLAMLLJPEY-DGCLKSJQSA-N 1 2 316.304 2.940 20 5 DFBDLO C[C@H](NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC000346229610 272600422 /nfs/dbraw/zinc/60/04/22/272600422.db2.gz RUDRSUBPKGUQGU-GXFFZTMASA-N 1 2 314.345 2.615 20 5 DFBDLO C[C@H](NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21)c1cccc([N+](=O)[O-])c1 ZINC000346229610 272600423 /nfs/dbraw/zinc/60/04/23/272600423.db2.gz RUDRSUBPKGUQGU-GXFFZTMASA-N 1 2 314.345 2.615 20 5 DFBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000359450723 427856746 /nfs/dbraw/zinc/85/67/46/427856746.db2.gz WLEDRUBDOWNELR-ZDUSSCGKSA-N 1 2 323.356 3.354 20 5 DFBDLO O=[N+]([O-])c1ccc(N[C@H]2CCN(c3[nH]c4ccccc4[nH+]3)C2)nc1 ZINC000302781179 427868386 /nfs/dbraw/zinc/86/83/86/427868386.db2.gz JEJCHOLHFWUBBX-NSHDSACASA-N 1 2 324.344 2.557 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H](CO)c1cccc(F)c1 ZINC000359532349 427895999 /nfs/dbraw/zinc/89/59/99/427895999.db2.gz UGJQBJIBPOOYTI-CQSZACIVSA-N 1 2 308.284 2.696 20 5 DFBDLO Cn1ccc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000345817591 427918447 /nfs/dbraw/zinc/91/84/47/427918447.db2.gz NMPRRGWBLRBVAJ-UHFFFAOYSA-N 1 2 312.329 2.878 20 5 DFBDLO O=[N+]([O-])c1ccn(C2CCN(c3[nH]c4ccccc4[nH+]3)CC2)n1 ZINC000369641031 428022898 /nfs/dbraw/zinc/02/28/98/428022898.db2.gz UAOVJQDPRYLUQE-UHFFFAOYSA-N 1 2 312.333 2.509 20 5 DFBDLO Cn1c[nH+]c(CCNc2ccc([N+](=O)[O-])cc2OC(F)F)c1 ZINC000413378807 428036284 /nfs/dbraw/zinc/03/62/84/428036284.db2.gz GEWGJKKHIHLVFN-UHFFFAOYSA-N 1 2 312.276 2.584 20 5 DFBDLO CO[C@@H]1COCC[C@H]1CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413313954 428019089 /nfs/dbraw/zinc/01/90/89/428019089.db2.gz MCJCFNASUNLUHQ-SWLSCSKDSA-N 1 2 317.345 2.606 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C/C=C\c1ccncc1)CCO2 ZINC000356522444 428218515 /nfs/dbraw/zinc/21/85/15/428218515.db2.gz IUPPZLPQEIJGQK-UPHRSURJSA-N 1 2 311.341 2.898 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C/C=C\c1ccncc1)CCO2 ZINC000356522444 428218518 /nfs/dbraw/zinc/21/85/18/428218518.db2.gz IUPPZLPQEIJGQK-UPHRSURJSA-N 1 2 311.341 2.898 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000370631648 428256881 /nfs/dbraw/zinc/25/68/81/428256881.db2.gz RIGMTOGHSWZINC-BDJLRTHQSA-N 1 2 306.362 2.603 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000370631648 428256887 /nfs/dbraw/zinc/25/68/87/428256887.db2.gz RIGMTOGHSWZINC-BDJLRTHQSA-N 1 2 306.362 2.603 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000370631649 428257586 /nfs/dbraw/zinc/25/75/86/428257586.db2.gz RIGMTOGHSWZINC-BZNIZROVSA-N 1 2 306.362 2.603 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000370631649 428257588 /nfs/dbraw/zinc/25/75/88/428257588.db2.gz RIGMTOGHSWZINC-BZNIZROVSA-N 1 2 306.362 2.603 20 5 DFBDLO O=[N+]([O-])c1ccccc1CNc1ccc(Cn2cc[nH+]c2)cn1 ZINC000353134644 428398503 /nfs/dbraw/zinc/39/85/03/428398503.db2.gz HRRREYPQORWMRK-UHFFFAOYSA-N 1 2 309.329 2.847 20 5 DFBDLO CC1(C)COCC[N@@H+]1CCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000342949497 428494872 /nfs/dbraw/zinc/49/48/72/428494872.db2.gz DJXJVONSADPYSU-UHFFFAOYSA-N 1 2 313.785 2.771 20 5 DFBDLO CC1(C)COCC[N@H+]1CCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000342949497 428494873 /nfs/dbraw/zinc/49/48/73/428494873.db2.gz DJXJVONSADPYSU-UHFFFAOYSA-N 1 2 313.785 2.771 20 5 DFBDLO CC(C)(C)c1ccc(NC(=O)NCc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000347223600 428500807 /nfs/dbraw/zinc/50/08/07/428500807.db2.gz QZLXHCRYRGYGIX-UHFFFAOYSA-N 1 2 317.349 2.937 20 5 DFBDLO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000372624049 428476840 /nfs/dbraw/zinc/47/68/40/428476840.db2.gz DUYNZVJVDHCQEI-INIZCTEOSA-N 1 2 311.341 2.808 20 5 DFBDLO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000372624049 428476843 /nfs/dbraw/zinc/47/68/43/428476843.db2.gz DUYNZVJVDHCQEI-INIZCTEOSA-N 1 2 311.341 2.808 20 5 DFBDLO CCOC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1C)C1CCC1 ZINC000344877591 428718226 /nfs/dbraw/zinc/71/82/26/428718226.db2.gz DSPTUXNZZKRHGH-UHFFFAOYSA-N 1 2 306.362 2.821 20 5 DFBDLO CCOC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)C1CCC1 ZINC000344877591 428718230 /nfs/dbraw/zinc/71/82/30/428718230.db2.gz DSPTUXNZZKRHGH-UHFFFAOYSA-N 1 2 306.362 2.821 20 5 DFBDLO COc1cc[nH+]cc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000353880201 428761090 /nfs/dbraw/zinc/76/10/90/428761090.db2.gz IRKJYFZGAISHDF-UHFFFAOYSA-N 1 2 307.693 2.904 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000362521352 428783584 /nfs/dbraw/zinc/78/35/84/428783584.db2.gz UEOMPBZDXJWJDA-QGZVFWFLSA-N 1 2 320.389 2.531 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000362521352 428783590 /nfs/dbraw/zinc/78/35/90/428783590.db2.gz UEOMPBZDXJWJDA-QGZVFWFLSA-N 1 2 320.389 2.531 20 5 DFBDLO Cc1cc(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nc[nH+]1 ZINC000362681560 428799958 /nfs/dbraw/zinc/79/99/58/428799958.db2.gz QNMAJOJTKPWLAI-UHFFFAOYSA-N 1 2 312.251 3.324 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])c(NCCCNc2cccc[nH+]2)n1 ZINC000359082822 428807838 /nfs/dbraw/zinc/80/78/38/428807838.db2.gz NBTGLOOCCYKQNP-UHFFFAOYSA-N 1 2 301.350 2.916 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000359081719 428808856 /nfs/dbraw/zinc/80/88/56/428808856.db2.gz KMHKFSLZHLXTOM-ZDUSSCGKSA-N 1 2 313.361 2.692 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000363522052 428935406 /nfs/dbraw/zinc/93/54/06/428935406.db2.gz MRUXRYWQXLZLKW-GFCCVEGCSA-N 1 2 314.345 2.609 20 5 DFBDLO CCCCN(C)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000349530263 429001678 /nfs/dbraw/zinc/00/16/78/429001678.db2.gz ROVDRTJQMUWVEU-UHFFFAOYSA-N 1 2 307.394 2.663 20 5 DFBDLO C[C@H](O)C1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413141521 429147622 /nfs/dbraw/zinc/14/76/22/429147622.db2.gz JRGCWCBAJPGOAW-NSHDSACASA-N 1 2 301.346 2.740 20 5 DFBDLO CSC[C@H](CCO)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413152762 429150844 /nfs/dbraw/zinc/15/08/44/429150844.db2.gz IZOXZMYQMXHCFI-NSHDSACASA-N 1 2 307.375 2.669 20 5 DFBDLO Cc1sc(C(=O)Nc2c[nH+]c3n2CCCC3)cc1[N+](=O)[O-] ZINC000452336963 429098357 /nfs/dbraw/zinc/09/83/57/429098357.db2.gz XUSXNXAXMXWJQJ-UHFFFAOYSA-N 1 2 306.347 2.750 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCCOCC3CC3)c2c1 ZINC000413038087 429126731 /nfs/dbraw/zinc/12/67/31/429126731.db2.gz REWBJZFMWDLWIH-UHFFFAOYSA-N 1 2 301.346 3.372 20 5 DFBDLO CNc1ccc(Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])c[nH+]1 ZINC000436319330 429195649 /nfs/dbraw/zinc/19/56/49/429195649.db2.gz RERMEIKXMPJVJX-UHFFFAOYSA-N 1 2 313.239 3.189 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000505617473 429342108 /nfs/dbraw/zinc/34/21/08/429342108.db2.gz ZBABVKRFDRHWMC-OCCSQVGLSA-N 1 2 308.378 2.993 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000505617473 429342112 /nfs/dbraw/zinc/34/21/12/429342112.db2.gz ZBABVKRFDRHWMC-OCCSQVGLSA-N 1 2 308.378 2.993 20 5 DFBDLO C[C@H]1C[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456392812 429295827 /nfs/dbraw/zinc/29/58/27/429295827.db2.gz RGTNBTWRHDHQPC-UFBFGSQYSA-N 1 2 320.736 2.881 20 5 DFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(C(F)F)no1 ZINC000425443793 429296765 /nfs/dbraw/zinc/29/67/65/429296765.db2.gz MIFXGUSMNVAGNW-UHFFFAOYSA-N 1 2 312.276 2.590 20 5 DFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(C(F)F)no1 ZINC000425443793 429296769 /nfs/dbraw/zinc/29/67/69/429296769.db2.gz MIFXGUSMNVAGNW-UHFFFAOYSA-N 1 2 312.276 2.590 20 5 DFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000456407324 429299825 /nfs/dbraw/zinc/29/98/25/429299825.db2.gz YLKFKBMSZMQCBR-SECBINFHSA-N 1 2 322.752 2.956 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456404122 429300501 /nfs/dbraw/zinc/30/05/01/429300501.db2.gz WYLZWAAMQPQOJF-ZWNOBZJWSA-N 1 2 300.318 2.536 20 5 DFBDLO CCc1ccc(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000456420510 429302860 /nfs/dbraw/zinc/30/28/60/429302860.db2.gz MSJPANQOFWTKMP-ZWNOBZJWSA-N 1 2 314.345 2.790 20 5 DFBDLO COC[C@H]1CC[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425472628 429305065 /nfs/dbraw/zinc/30/50/65/429305065.db2.gz IETFAOUUBNTLGU-LLVKDONJSA-N 1 2 315.167 2.578 20 5 DFBDLO COC[C@H]1CC[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425472628 429305068 /nfs/dbraw/zinc/30/50/68/429305068.db2.gz IETFAOUUBNTLGU-LLVKDONJSA-N 1 2 315.167 2.578 20 5 DFBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1noc(C2CC2)n1 ZINC000449300929 429381949 /nfs/dbraw/zinc/38/19/49/429381949.db2.gz QDNYWCIIRAATJO-SNVBAGLBSA-N 1 2 302.334 2.576 20 5 DFBDLO Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000366559893 429475021 /nfs/dbraw/zinc/47/50/21/429475021.db2.gz AEZYRXBFMDFIAQ-UHFFFAOYSA-N 1 2 323.312 2.941 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000366614502 429488001 /nfs/dbraw/zinc/48/80/01/429488001.db2.gz CYFUAUBOQATZKN-LBPRGKRZSA-N 1 2 316.361 2.706 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000366614502 429488006 /nfs/dbraw/zinc/48/80/06/429488006.db2.gz CYFUAUBOQATZKN-LBPRGKRZSA-N 1 2 316.361 2.706 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1c1[nH+]ccn1C ZINC000366698012 429496412 /nfs/dbraw/zinc/49/64/12/429496412.db2.gz RLBQQUNGJNWYCY-AWEZNQCLSA-N 1 2 316.361 2.674 20 5 DFBDLO CCN(CC)c1ccc(Nc2ncc([N+](=O)[O-])c(C)n2)c[nH+]1 ZINC000450252521 429586194 /nfs/dbraw/zinc/58/61/94/429586194.db2.gz IXQQRRPNRNASSY-UHFFFAOYSA-N 1 2 302.338 2.678 20 5 DFBDLO O=[N+]([O-])c1cnc(N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)nc1 ZINC000450534169 429642281 /nfs/dbraw/zinc/64/22/81/429642281.db2.gz BWSQBBJWBSRPNH-HAQNSBGRSA-N 1 2 314.349 2.615 20 5 DFBDLO CC(=O)c1cc(N2CCn3c(C)c(C)[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000367427268 429646373 /nfs/dbraw/zinc/64/63/73/429646373.db2.gz XTQJHIJRIXGQGU-UHFFFAOYSA-N 1 2 314.345 2.631 20 5 DFBDLO CC(C)n1ncnc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429244582 429590412 /nfs/dbraw/zinc/59/04/12/429590412.db2.gz GUPYLELIYMHMBQ-UHFFFAOYSA-N 1 2 303.366 2.792 20 5 DFBDLO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000367270228 429610055 /nfs/dbraw/zinc/61/00/55/429610055.db2.gz KMRBKGMNQFJAPS-ZDUSSCGKSA-N 1 2 313.361 2.774 20 5 DFBDLO COC(=O)[C@H](CC(C)C)[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000430198108 429660919 /nfs/dbraw/zinc/66/09/19/429660919.db2.gz XVJUJLOBACHKKE-HNNXBMFYSA-N 1 2 308.378 2.923 20 5 DFBDLO COC(=O)[C@H](CC(C)C)[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000430198108 429660925 /nfs/dbraw/zinc/66/09/25/429660925.db2.gz XVJUJLOBACHKKE-HNNXBMFYSA-N 1 2 308.378 2.923 20 5 DFBDLO CCOC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)CC(C)C ZINC000430216356 429663815 /nfs/dbraw/zinc/66/38/15/429663815.db2.gz GNQPSQUOECHPIW-UHFFFAOYSA-N 1 2 324.377 2.625 20 5 DFBDLO CCOC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)CC(C)C ZINC000430216356 429663818 /nfs/dbraw/zinc/66/38/18/429663818.db2.gz GNQPSQUOECHPIW-UHFFFAOYSA-N 1 2 324.377 2.625 20 5 DFBDLO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H](C)n3cc[nH+]c32)c1 ZINC000450828043 429707796 /nfs/dbraw/zinc/70/77/96/429707796.db2.gz JDOFPKXHHUKFPW-JOYOIKCWSA-N 1 2 316.317 2.696 20 5 DFBDLO CCn1cc[nH+]c1[C@H](C)Nc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000450827453 429708924 /nfs/dbraw/zinc/70/89/24/429708924.db2.gz HUUVBEJVUCRHKM-JTQLQIEISA-N 1 2 318.333 2.771 20 5 DFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000493660199 429804876 /nfs/dbraw/zinc/80/48/76/429804876.db2.gz UHNPFEZJKSUKSH-GUOLPTJISA-N 1 2 314.345 2.702 20 5 DFBDLO Cn1c[nH+]cc1COc1c(Br)cccc1[N+](=O)[O-] ZINC000431235976 429749273 /nfs/dbraw/zinc/74/92/73/429749273.db2.gz YQGYKFZUMQTDDW-UHFFFAOYSA-N 1 2 312.123 2.670 20 5 DFBDLO CCO[C@H](C)c1noc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000451102160 429767508 /nfs/dbraw/zinc/76/75/08/429767508.db2.gz BJOLFDPKHVTIGB-WDEREUQCSA-N 1 2 320.349 2.926 20 5 DFBDLO CC1=CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000451408174 429824450 /nfs/dbraw/zinc/82/44/50/429824450.db2.gz YXRABDZCMZNNGK-UHFFFAOYSA-N 1 2 312.329 2.573 20 5 DFBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3cc(F)ccc3F)C2)c1 ZINC000369018372 429907701 /nfs/dbraw/zinc/90/77/01/429907701.db2.gz LENLBUUYPNYMKD-CYBMUJFWSA-N 1 2 322.315 2.907 20 5 DFBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3cc(F)ccc3F)C2)c1 ZINC000369018372 429907702 /nfs/dbraw/zinc/90/77/02/429907702.db2.gz LENLBUUYPNYMKD-CYBMUJFWSA-N 1 2 322.315 2.907 20 5 DFBDLO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H](C2CC2)O1 ZINC000369290199 429922758 /nfs/dbraw/zinc/92/27/58/429922758.db2.gz JOSUZPYEAKUCRP-ZUZCIYMTSA-N 1 2 317.345 2.735 20 5 DFBDLO C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H](C2CC2)O1 ZINC000369290199 429922759 /nfs/dbraw/zinc/92/27/59/429922759.db2.gz JOSUZPYEAKUCRP-ZUZCIYMTSA-N 1 2 317.345 2.735 20 5 DFBDLO Cc1c[nH]c(C(C)(C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)[nH+]1 ZINC000573213944 429936676 /nfs/dbraw/zinc/93/66/76/429936676.db2.gz YHQFIQYECHMBOL-UHFFFAOYSA-N 1 2 308.363 2.661 20 5 DFBDLO Cc1cc(NCC(C)(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000558949353 429994714 /nfs/dbraw/zinc/99/47/14/429994714.db2.gz IXCKYZSCMRFHCU-UHFFFAOYSA-N 1 2 308.288 2.849 20 5 DFBDLO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2nccc(N)n2)cc1[N+](=O)[O-] ZINC000577572705 430115249 /nfs/dbraw/zinc/11/52/49/430115249.db2.gz DVJFOLIKQUHMNG-QWRGUYRKSA-N 1 2 301.350 2.687 20 5 DFBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1cc(O)cc(F)c1)C2 ZINC000547449344 430395173 /nfs/dbraw/zinc/39/51/73/430395173.db2.gz BVUMWYLONAWGKW-UHFFFAOYSA-N 1 2 302.305 2.998 20 5 DFBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1cc(O)cc(F)c1)C2 ZINC000547449344 430395176 /nfs/dbraw/zinc/39/51/76/430395176.db2.gz BVUMWYLONAWGKW-UHFFFAOYSA-N 1 2 302.305 2.998 20 5 DFBDLO CC(C)(C)c1nc(NCCc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000610515154 430564643 /nfs/dbraw/zinc/56/46/43/430564643.db2.gz HQTQZDJZCUJQLK-UHFFFAOYSA-N 1 2 300.362 3.337 20 5 DFBDLO Cc1nc(N2CC(C)(C)[C@H]2c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000296321377 279088743 /nfs/dbraw/zinc/08/87/43/279088743.db2.gz OKMXNDBWDFBDFC-CYBMUJFWSA-N 1 2 301.350 2.619 20 5 DFBDLO C[C@H]1SCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1C ZINC000283871555 280090622 /nfs/dbraw/zinc/09/06/22/280090622.db2.gz AICUNTSLBXCPAZ-NXEZZACHSA-N 1 2 311.363 2.829 20 5 DFBDLO C[C@H]1SCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1C ZINC000283871555 280090626 /nfs/dbraw/zinc/09/06/26/280090626.db2.gz AICUNTSLBXCPAZ-NXEZZACHSA-N 1 2 311.363 2.829 20 5 DFBDLO CC(C)[NH+](CCCNC(=O)c1ccc([N+](=O)[O-])cc1O)C(C)C ZINC000436977437 297049265 /nfs/dbraw/zinc/04/92/65/297049265.db2.gz DIJDBTFSBQGEIZ-UHFFFAOYSA-N 1 2 323.393 2.539 20 5 DFBDLO O=[N+]([O-])c1cccc(Cl)c1CSCC[NH+]1CCOCC1 ZINC000154360231 295298531 /nfs/dbraw/zinc/29/85/31/295298531.db2.gz XFXGLIPSBOONIR-UHFFFAOYSA-N 1 2 316.810 2.814 20 5 DFBDLO C[C@@]1(C[NH+]=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCO[C@H]1C1CC1 ZINC000447675037 297312860 /nfs/dbraw/zinc/31/28/60/297312860.db2.gz JREFGBXDANPYMK-HOCLYGCPSA-N 1 2 316.361 2.510 20 5 DFBDLO CC[C@H](C)CN(C)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447803597 297317670 /nfs/dbraw/zinc/31/76/70/297317670.db2.gz AZQPQKOEFQATHP-AWEZNQCLSA-N 1 2 321.421 2.909 20 5 DFBDLO C[C@@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000450966652 297723681 /nfs/dbraw/zinc/72/36/81/297723681.db2.gz HBULDAOGCCMOPS-DGCLKSJQSA-N 1 2 314.345 2.699 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1c[nH+]c2n1CCCC2 ZINC000452754926 298019146 /nfs/dbraw/zinc/01/91/46/298019146.db2.gz LOMLKCGZCPGXRW-UHFFFAOYSA-N 1 2 300.318 2.688 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000454211904 298137207 /nfs/dbraw/zinc/13/72/07/298137207.db2.gz PFRQZTKCZZDFMR-LBPRGKRZSA-N 1 2 314.345 2.609 20 5 DFBDLO C[C@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)c2[nH+]ccn21 ZINC000454338067 298157870 /nfs/dbraw/zinc/15/78/70/298157870.db2.gz WJNOGPLDWRRHGR-QPUJVOFHSA-N 1 2 319.296 2.758 20 5 DFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000456352446 298505145 /nfs/dbraw/zinc/50/51/45/298505145.db2.gz NDDVMKHYCLPDRG-NSHDSACASA-N 1 2 302.334 2.611 20 5 DFBDLO CCC[C@H](C(=O)OCC)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511105537 300248831 /nfs/dbraw/zinc/24/88/31/300248831.db2.gz JAWCGOFCSFNROY-OAHLLOKOSA-N 1 2 308.378 2.801 20 5 DFBDLO CCC[C@H](C(=O)OCC)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511105537 300248833 /nfs/dbraw/zinc/24/88/33/300248833.db2.gz JAWCGOFCSFNROY-OAHLLOKOSA-N 1 2 308.378 2.801 20 5 DFBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3cc[nH]n3)cs2)c1 ZINC000522254753 300555084 /nfs/dbraw/zinc/55/50/84/300555084.db2.gz SWXAVXKJBCIUSF-UHFFFAOYSA-N 1 2 315.358 2.731 20 5 DFBDLO O=[N+]([O-])c1ccc(N2CC(n3cc[nH+]c3)C2)nc1-c1ccccc1 ZINC000534880073 301239335 /nfs/dbraw/zinc/23/93/35/301239335.db2.gz LWQHBRINXMGTGD-UHFFFAOYSA-N 1 2 321.340 2.915 20 5 DFBDLO Cc1[nH]nc2ncc(C[N@@H+]3CCc4c(cccc4[N+](=O)[O-])C3)cc12 ZINC000537624635 301306828 /nfs/dbraw/zinc/30/68/28/301306828.db2.gz ZXAYWFHTNWJKAX-UHFFFAOYSA-N 1 2 323.356 2.733 20 5 DFBDLO Cc1[nH]nc2ncc(C[N@H+]3CCc4c(cccc4[N+](=O)[O-])C3)cc12 ZINC000537624635 301306830 /nfs/dbraw/zinc/30/68/30/301306830.db2.gz ZXAYWFHTNWJKAX-UHFFFAOYSA-N 1 2 323.356 2.733 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000539811976 301350589 /nfs/dbraw/zinc/35/05/89/301350589.db2.gz RKFUMWBWACFTRJ-CYBMUJFWSA-N 1 2 317.389 2.518 20 5 DFBDLO CCOC(=O)[C@@H](CC(C)C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000548066705 301563455 /nfs/dbraw/zinc/56/34/55/301563455.db2.gz DOLNVROBHWKKBS-CQSZACIVSA-N 1 2 308.378 2.705 20 5 DFBDLO C[C@@H](C(=O)Nc1ccc[nH+]c1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000562397885 301969131 /nfs/dbraw/zinc/96/91/31/301969131.db2.gz XVTOJAGOXMLCBM-LLVKDONJSA-N 1 2 314.345 2.798 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000564928551 302174415 /nfs/dbraw/zinc/17/44/15/302174415.db2.gz DSBCWWUPNPBFIS-LBPRGKRZSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000564928551 302174418 /nfs/dbraw/zinc/17/44/18/302174418.db2.gz DSBCWWUPNPBFIS-LBPRGKRZSA-N 1 2 306.362 2.747 20 5 DFBDLO CC(C)C(C)(C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000570231609 302563170 /nfs/dbraw/zinc/56/31/70/302563170.db2.gz OXEZUDSPJZKJIO-UHFFFAOYSA-N 1 2 316.361 2.945 20 5 DFBDLO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000331913790 303088942 /nfs/dbraw/zinc/08/89/42/303088942.db2.gz IWSHJKJXSNWQBX-MRXNPFEDSA-N 1 2 316.361 2.761 20 5 DFBDLO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000331913790 303088945 /nfs/dbraw/zinc/08/89/45/303088945.db2.gz IWSHJKJXSNWQBX-MRXNPFEDSA-N 1 2 316.361 2.761 20 5 DFBDLO COc1cc(NCCCCn2cc[nH+]c2)c(F)cc1[N+](=O)[O-] ZINC000320062816 316252848 /nfs/dbraw/zinc/25/28/48/316252848.db2.gz UKTDXWOHRMCSKP-UHFFFAOYSA-N 1 2 308.313 2.831 20 5 DFBDLO CC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)cc1C)c1[nH]cc[nH+]1 ZINC000421859926 316775728 /nfs/dbraw/zinc/77/57/28/316775728.db2.gz GDHVQOIRQLLNRG-LBPRGKRZSA-N 1 2 302.334 2.816 20 5 DFBDLO CC(C)N(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000448897774 317025419 /nfs/dbraw/zinc/02/54/19/317025419.db2.gz RDNKVAGYSAKMOJ-UHFFFAOYSA-N 1 2 314.345 2.794 20 5 DFBDLO C[C@@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448916239 317028634 /nfs/dbraw/zinc/02/86/34/317028634.db2.gz GEZNAFRKEGRQJO-DGCLKSJQSA-N 1 2 314.345 2.699 20 5 DFBDLO COc1c(C(=O)NCc2c[nH+]c(C)cc2C)cccc1[N+](=O)[O-] ZINC000456833947 317255966 /nfs/dbraw/zinc/25/59/66/317255966.db2.gz GZLZSEWPHWJLSF-UHFFFAOYSA-N 1 2 315.329 2.545 20 5 DFBDLO Cn1c[nH+]cc1CN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000574816351 318042435 /nfs/dbraw/zinc/04/24/35/318042435.db2.gz SJWFUBNFNPUYAQ-GFCCVEGCSA-N 1 2 314.267 2.722 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000575967915 318094932 /nfs/dbraw/zinc/09/49/32/318094932.db2.gz JIUKUVQNOYAMOO-BLLLJJGKSA-N 1 2 318.373 2.644 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000575967915 318094934 /nfs/dbraw/zinc/09/49/34/318094934.db2.gz JIUKUVQNOYAMOO-BLLLJJGKSA-N 1 2 318.373 2.644 20 5 DFBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](CCn1cc(Cl)cn1)C2 ZINC000578962293 318297083 /nfs/dbraw/zinc/29/70/83/318297083.db2.gz DKWIMKGFYUFNMC-UHFFFAOYSA-N 1 2 306.753 2.503 20 5 DFBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCn1cc(Cl)cn1)C2 ZINC000578962293 318297086 /nfs/dbraw/zinc/29/70/86/318297086.db2.gz DKWIMKGFYUFNMC-UHFFFAOYSA-N 1 2 306.753 2.503 20 5 DFBDLO O=C(NCCCC1CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000579195042 318312823 /nfs/dbraw/zinc/31/28/23/318312823.db2.gz CKJCYQUQKRVYFQ-UHFFFAOYSA-N 1 2 314.345 2.701 20 5 DFBDLO CC[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000387945179 323328177 /nfs/dbraw/zinc/32/81/77/323328177.db2.gz XOCXQWSGAOWSLB-GUOLPTJISA-N 1 2 300.318 2.599 20 5 DFBDLO Cc1c[nH]c(C(C)(C)NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)[nH+]1 ZINC000583505819 323868665 /nfs/dbraw/zinc/86/86/65/323868665.db2.gz WULLFZOCDPKICS-UHFFFAOYSA-N 1 2 316.361 2.908 20 5 DFBDLO CCNc1ccc(C(=O)Nc2cc[nH+]c(C)c2)cc1[N+](=O)[O-] ZINC000316381988 528430766 /nfs/dbraw/zinc/43/07/66/528430766.db2.gz MXRZWHSCTZQXRR-UHFFFAOYSA-N 1 2 300.318 2.982 20 5 DFBDLO CCOc1cccc(NC[C@@H](C)[N@@H+]2CCOC[C@@H]2C)c1[N+](=O)[O-] ZINC000302238168 528674323 /nfs/dbraw/zinc/67/43/23/528674323.db2.gz WOJSAIIKHMFTPQ-OLZOCXBDSA-N 1 2 323.393 2.515 20 5 DFBDLO CCOc1cccc(NC[C@@H](C)[N@H+]2CCOC[C@@H]2C)c1[N+](=O)[O-] ZINC000302238168 528674327 /nfs/dbraw/zinc/67/43/27/528674327.db2.gz WOJSAIIKHMFTPQ-OLZOCXBDSA-N 1 2 323.393 2.515 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000361590206 536454322 /nfs/dbraw/zinc/45/43/22/536454322.db2.gz TVFFKPFYGTVNPK-ZJUUUORDSA-N 1 2 320.315 2.881 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000361590206 536454324 /nfs/dbraw/zinc/45/43/24/536454324.db2.gz TVFFKPFYGTVNPK-ZJUUUORDSA-N 1 2 320.315 2.881 20 5 DFBDLO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000090224223 282106635 /nfs/dbraw/zinc/10/66/35/282106635.db2.gz NYKLBUQVRALTCH-BXUZGUMPSA-N 1 2 315.377 2.989 20 5 DFBDLO O=[N+]([O-])c1cc(Cl)ccc1N1CCN(c2cccc[nH+]2)CC1 ZINC000008177720 398370797 /nfs/dbraw/zinc/37/07/97/398370797.db2.gz YCVVBBPVKFPBIG-UHFFFAOYSA-N 1 2 318.764 2.970 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cnc(C3CC3)nc1)CC2 ZINC000459360769 299087726 /nfs/dbraw/zinc/08/77/26/299087726.db2.gz YYYMHXLZCCVFFC-UHFFFAOYSA-N 1 2 310.357 2.821 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cnc(C3CC3)nc1)CC2 ZINC000459360769 299087728 /nfs/dbraw/zinc/08/77/28/299087728.db2.gz YYYMHXLZCCVFFC-UHFFFAOYSA-N 1 2 310.357 2.821 20 5 DFBDLO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000090223828 185287281 /nfs/dbraw/zinc/28/72/81/185287281.db2.gz JYNZKADSYFXQGD-FZMZJTMJSA-N 1 2 315.377 2.989 20 5 DFBDLO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090224341 185287401 /nfs/dbraw/zinc/28/74/01/185287401.db2.gz PVMJWYGAHBICCK-HZMBPMFUSA-N 1 2 301.350 2.680 20 5 DFBDLO CC(C)C[C@H]1COCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083173185 398384608 /nfs/dbraw/zinc/38/46/08/398384608.db2.gz GMTDCZUEFZCURV-ZDUSSCGKSA-N 1 2 319.361 2.983 20 5 DFBDLO CC(C)C[C@H]1COCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083173185 398384612 /nfs/dbraw/zinc/38/46/12/398384612.db2.gz GMTDCZUEFZCURV-ZDUSSCGKSA-N 1 2 319.361 2.983 20 5 DFBDLO CO[C@H](CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC1 ZINC000596318939 398385584 /nfs/dbraw/zinc/38/55/84/398385584.db2.gz QZZPWDBYRZYAOH-IUODEOHRSA-N 1 2 317.345 2.606 20 5 DFBDLO COc1c(C)c[nH+]c(CN(C)c2ccncc2[N+](=O)[O-])c1C ZINC000066811225 398400918 /nfs/dbraw/zinc/40/09/18/398400918.db2.gz FWWDMPFZIOIRLS-UHFFFAOYSA-N 1 2 302.334 2.647 20 5 DFBDLO Cn1cc[nH+]c1[C@H](Nc1ncccc1[N+](=O)[O-])c1ccccc1 ZINC000017590106 398404674 /nfs/dbraw/zinc/40/46/74/398404674.db2.gz SJHQWYPYWSQGKU-CQSZACIVSA-N 1 2 309.329 2.925 20 5 DFBDLO Cc1cc(NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000596432840 398410442 /nfs/dbraw/zinc/41/04/42/398410442.db2.gz TXKSEYNHIMIFLL-NWDGAFQWSA-N 1 2 311.357 2.563 20 5 DFBDLO Cc1cc(NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000596432840 398410447 /nfs/dbraw/zinc/41/04/47/398410447.db2.gz TXKSEYNHIMIFLL-NWDGAFQWSA-N 1 2 311.357 2.563 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCO[C@H]3CC3(F)F)c2c1 ZINC000596448610 398415093 /nfs/dbraw/zinc/41/50/93/398415093.db2.gz WINUEBWLBKKAGU-LBPRGKRZSA-N 1 2 309.272 2.979 20 5 DFBDLO Cc1ccc2[nH+]c(CNC(=O)c3cc([N+](=O)[O-])ccc3C)cn2c1 ZINC000067233866 398424806 /nfs/dbraw/zinc/42/48/06/398424806.db2.gz GFRZVUXCQCCEDI-UHFFFAOYSA-N 1 2 324.340 2.789 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000088699044 398439797 /nfs/dbraw/zinc/43/97/97/398439797.db2.gz GXZFTNRENCPVOX-UHFFFAOYSA-N 1 2 312.373 2.620 20 5 DFBDLO C[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@]1(C)CO ZINC000596545027 398443500 /nfs/dbraw/zinc/44/35/00/398443500.db2.gz RFWXWPGEOXUINZ-BDJLRTHQSA-N 1 2 301.346 2.598 20 5 DFBDLO C[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@]1(C)CO ZINC000596545028 398443992 /nfs/dbraw/zinc/44/39/92/398443992.db2.gz RFWXWPGEOXUINZ-BZNIZROVSA-N 1 2 301.346 2.598 20 5 DFBDLO Cc1n[nH]cc1C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000585767813 398446102 /nfs/dbraw/zinc/44/61/02/398446102.db2.gz CGGALLPODHCEEF-UHFFFAOYSA-N 1 2 316.361 2.712 20 5 DFBDLO C[C@](CO)([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000586764253 398455264 /nfs/dbraw/zinc/45/52/64/398455264.db2.gz JQWMKNSUFDGTFO-MRXNPFEDSA-N 1 2 322.311 2.870 20 5 DFBDLO C[C@H]1CO[C@@H](C(F)(F)F)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000586777462 398457748 /nfs/dbraw/zinc/45/77/48/398457748.db2.gz PPEXHJMZSXUSQA-GXFFZTMASA-N 1 2 318.295 2.789 20 5 DFBDLO C[C@H]1CO[C@@H](C(F)(F)F)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000586777462 398457752 /nfs/dbraw/zinc/45/77/52/398457752.db2.gz PPEXHJMZSXUSQA-GXFFZTMASA-N 1 2 318.295 2.789 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000596633914 398466615 /nfs/dbraw/zinc/46/66/15/398466615.db2.gz RUSPRYBAQKQGMP-LBPRGKRZSA-N 1 2 314.345 2.609 20 5 DFBDLO Cc1ccc(NC(=O)N[C@H](C)c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000596633739 398466632 /nfs/dbraw/zinc/46/66/32/398466632.db2.gz AAHXDLSMZDKEPC-SNVBAGLBSA-N 1 2 303.322 2.519 20 5 DFBDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000596630731 398465506 /nfs/dbraw/zinc/46/55/06/398465506.db2.gz LHORFXPRRIAOIN-LLVKDONJSA-N 1 2 314.345 2.678 20 5 DFBDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)CC2 ZINC000596630731 398465509 /nfs/dbraw/zinc/46/55/09/398465509.db2.gz LHORFXPRRIAOIN-LLVKDONJSA-N 1 2 314.345 2.678 20 5 DFBDLO COCc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)no1 ZINC000459476218 299116097 /nfs/dbraw/zinc/11/60/97/299116097.db2.gz HBZGLGZHMTYJSX-UHFFFAOYSA-N 1 2 311.725 2.672 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000596835864 398510133 /nfs/dbraw/zinc/51/01/33/398510133.db2.gz AFMVVLRIBRQKNJ-NSHDSACASA-N 1 2 317.349 2.828 20 5 DFBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3cccs3)CC2)c1 ZINC000121279099 185775887 /nfs/dbraw/zinc/77/58/87/185775887.db2.gz BOZKASRGQDQZDO-UHFFFAOYSA-N 1 2 303.387 2.979 20 5 DFBDLO COc1cc(C[N@H+](C)CCC(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000092478857 398579116 /nfs/dbraw/zinc/57/91/16/398579116.db2.gz QQNUOWNZTJOTQH-UHFFFAOYSA-N 1 2 322.283 2.996 20 5 DFBDLO COc1cc(C[N@@H+](C)CCC(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000092478857 398579117 /nfs/dbraw/zinc/57/91/17/398579117.db2.gz QQNUOWNZTJOTQH-UHFFFAOYSA-N 1 2 322.283 2.996 20 5 DFBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](CCO)c1ccccc1 ZINC000093442305 398636966 /nfs/dbraw/zinc/63/69/66/398636966.db2.gz RUXPJODKECXJQD-INIZCTEOSA-N 1 2 316.357 2.856 20 5 DFBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](CCO)c1ccccc1 ZINC000093442305 398636970 /nfs/dbraw/zinc/63/69/70/398636970.db2.gz RUXPJODKECXJQD-INIZCTEOSA-N 1 2 316.357 2.856 20 5 DFBDLO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000590624748 398641380 /nfs/dbraw/zinc/64/13/80/398641380.db2.gz YTBYVSULGCQPCV-LLVKDONJSA-N 1 2 314.345 2.556 20 5 DFBDLO C[C@@H]1CSCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000172435622 198096653 /nfs/dbraw/zinc/09/66/53/198096653.db2.gz DYRQVJDWPGRPRM-SNVBAGLBSA-N 1 2 320.374 2.582 20 5 DFBDLO C[C@@H]1CSCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000172435622 198096655 /nfs/dbraw/zinc/09/66/55/198096655.db2.gz DYRQVJDWPGRPRM-SNVBAGLBSA-N 1 2 320.374 2.582 20 5 DFBDLO CC[C@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCS1 ZINC000072861244 191241092 /nfs/dbraw/zinc/24/10/92/191241092.db2.gz BWXWZEQADWFYLT-ZDUSSCGKSA-N 1 2 323.418 2.669 20 5 DFBDLO CC[C@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCS1 ZINC000072861244 191241095 /nfs/dbraw/zinc/24/10/95/191241095.db2.gz BWXWZEQADWFYLT-ZDUSSCGKSA-N 1 2 323.418 2.669 20 5 DFBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597857012 398705466 /nfs/dbraw/zinc/70/54/66/398705466.db2.gz JHBULTLLSAKUAX-ZDUSSCGKSA-N 1 2 316.361 2.545 20 5 DFBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597857012 398705467 /nfs/dbraw/zinc/70/54/67/398705467.db2.gz JHBULTLLSAKUAX-ZDUSSCGKSA-N 1 2 316.361 2.545 20 5 DFBDLO Cc1cccn2cc(CCNC(=O)c3cccc([N+](=O)[O-])c3)[nH+]c12 ZINC000109534572 398718411 /nfs/dbraw/zinc/71/84/11/398718411.db2.gz WDSJHOJLWUMYNE-UHFFFAOYSA-N 1 2 324.340 2.523 20 5 DFBDLO Cc1noc([C@@H](C)[N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000594037366 398727512 /nfs/dbraw/zinc/72/75/12/398727512.db2.gz KFWNJAFMWGRONG-LLVKDONJSA-N 1 2 320.349 2.748 20 5 DFBDLO Cc1noc([C@@H](C)[N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000594037366 398727516 /nfs/dbraw/zinc/72/75/16/398727516.db2.gz KFWNJAFMWGRONG-LLVKDONJSA-N 1 2 320.349 2.748 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCOC[C@@H]3CCOC3)c2c1 ZINC000591146285 398731741 /nfs/dbraw/zinc/73/17/41/398731741.db2.gz XDGIUCSYDIVPGQ-GFCCVEGCSA-N 1 2 317.345 2.608 20 5 DFBDLO Cn1c[nH+]cc1[C@H]1CCCCN1c1ncc([N+](=O)[O-])cc1F ZINC000591143121 398731689 /nfs/dbraw/zinc/73/16/89/398731689.db2.gz LYNRDTKCGFBVOL-GFCCVEGCSA-N 1 2 305.313 2.594 20 5 DFBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000047028752 398733440 /nfs/dbraw/zinc/73/34/40/398733440.db2.gz ZXTNTWBNIKWDLS-VIFPVBQESA-N 1 2 323.740 2.655 20 5 DFBDLO Cc1cc(NCc2ccc(N3CCCC3)[nH+]c2)ncc1[N+](=O)[O-] ZINC000074739531 398762736 /nfs/dbraw/zinc/76/27/36/398762736.db2.gz YCERSZKPPFFGKQ-UHFFFAOYSA-N 1 2 313.361 2.906 20 5 DFBDLO Cc1nc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)oc1C ZINC000049982693 398800898 /nfs/dbraw/zinc/80/08/98/398800898.db2.gz BBWLBXFZOJRMQI-UHFFFAOYSA-N 1 2 316.361 2.522 20 5 DFBDLO C[C@@H]([NH2+][C@H](C)c1cscn1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000594709124 398846707 /nfs/dbraw/zinc/84/67/07/398846707.db2.gz CJDASXNFBIHYCB-NXEZZACHSA-N 1 2 320.374 2.729 20 5 DFBDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1cscn1 ZINC000594714103 398847547 /nfs/dbraw/zinc/84/75/47/398847547.db2.gz XOIKIKRAPNZXRH-ZJUUUORDSA-N 1 2 320.374 2.729 20 5 DFBDLO CC(C)[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000276664014 213032070 /nfs/dbraw/zinc/03/20/70/213032070.db2.gz UDYYVXGLQOCSPD-OAHLLOKOSA-N 1 2 316.361 2.764 20 5 DFBDLO Cc1nn(C)c(C)c1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153126346 283353860 /nfs/dbraw/zinc/35/38/60/283353860.db2.gz VJDOYPDXRKOGFM-UHFFFAOYSA-N 1 2 300.362 2.503 20 5 DFBDLO Cc1nn(C)c(C)c1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153126346 283353861 /nfs/dbraw/zinc/35/38/61/283353861.db2.gz VJDOYPDXRKOGFM-UHFFFAOYSA-N 1 2 300.362 2.503 20 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/nfs/dbraw/zinc/90/27/21/398902721.db2.gz VOKWLLGEWVCHAO-SUNKGSAMSA-N 1 2 301.350 2.851 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000595075642 398902869 /nfs/dbraw/zinc/90/28/69/398902869.db2.gz ZXXAYPNAGNNZPH-GBIKHYSHSA-N 1 2 317.349 2.552 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000595074809 398902900 /nfs/dbraw/zinc/90/29/00/398902900.db2.gz VOKWLLGEWVCHAO-MJVIPROJSA-N 1 2 301.350 2.851 20 5 DFBDLO CC[C@H](C)NC(=O)CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599025015 398909663 /nfs/dbraw/zinc/90/96/63/398909663.db2.gz WSOTZJVBCSUODT-NSHDSACASA-N 1 2 316.361 2.860 20 5 DFBDLO C[C@H](CC[S@](C)=O)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599054517 398913857 /nfs/dbraw/zinc/91/38/57/398913857.db2.gz YRQLMUOVIHESFJ-UZJPJQLHSA-N 1 2 307.375 2.712 20 5 DFBDLO CC(C)C(=O)NCCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599058496 398914522 /nfs/dbraw/zinc/91/45/22/398914522.db2.gz HGIUDTFNJAXTTC-UHFFFAOYSA-N 1 2 316.361 2.717 20 5 DFBDLO C[C@@H](O)[C@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599059772 398915019 /nfs/dbraw/zinc/91/50/19/398915019.db2.gz QTPARHUVPANWJY-YPMHNXCESA-N 1 2 301.346 2.740 20 5 DFBDLO C[S@](=O)C1(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCC1 ZINC000599075368 398918148 /nfs/dbraw/zinc/91/81/48/398918148.db2.gz VTGFDESHNOZPTN-QFIPXVFZSA-N 1 2 319.386 2.856 20 5 DFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@@H](CCCO)C1 ZINC000599086933 398919580 /nfs/dbraw/zinc/91/95/80/398919580.db2.gz CKRSFBCWOBXYGW-GFCCVEGCSA-N 1 2 301.346 2.742 20 5 DFBDLO CC[C@H](CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])C(=O)OC ZINC000599093964 398920128 /nfs/dbraw/zinc/92/01/28/398920128.db2.gz CFMYLZLLBAJWJT-SNVBAGLBSA-N 1 2 303.318 2.754 20 5 DFBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@@H](c2cc(C)cc[nH+]2)C1 ZINC000599102747 398921494 /nfs/dbraw/zinc/92/14/94/398921494.db2.gz TXATXYVFVDYGKT-CYBMUJFWSA-N 1 2 315.377 2.817 20 5 DFBDLO Cc1noc(C[N@H+]2CCCC[C@H]2c2cccn2C)c1[N+](=O)[O-] ZINC000595337028 398924167 /nfs/dbraw/zinc/92/41/67/398924167.db2.gz KNFUPRPYVYEDPR-ZDUSSCGKSA-N 1 2 304.350 2.957 20 5 DFBDLO Cc1noc(C[N@@H+]2CCCC[C@H]2c2cccn2C)c1[N+](=O)[O-] ZINC000595337028 398924169 /nfs/dbraw/zinc/92/41/69/398924169.db2.gz KNFUPRPYVYEDPR-ZDUSSCGKSA-N 1 2 304.350 2.957 20 5 DFBDLO Cc1noc(C[N@H+](Cc2ccccc2)[C@@H](C)CCO)c1[N+](=O)[O-] ZINC000595413053 398934466 /nfs/dbraw/zinc/93/44/66/398934466.db2.gz XSUBMYYHRQSXET-LBPRGKRZSA-N 1 2 319.361 2.664 20 5 DFBDLO Cc1noc(C[N@@H+](Cc2ccccc2)[C@@H](C)CCO)c1[N+](=O)[O-] ZINC000595413053 398934468 /nfs/dbraw/zinc/93/44/68/398934468.db2.gz XSUBMYYHRQSXET-LBPRGKRZSA-N 1 2 319.361 2.664 20 5 DFBDLO COC(=O)[C@@H](C)[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CCC1 ZINC000361937403 291232772 /nfs/dbraw/zinc/23/27/72/291232772.db2.gz NZNAYHOKERKGCP-LLVKDONJSA-N 1 2 322.361 2.519 20 5 DFBDLO COC(=O)[C@@H](C)[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CCC1 ZINC000361937403 291232774 /nfs/dbraw/zinc/23/27/74/291232774.db2.gz NZNAYHOKERKGCP-LLVKDONJSA-N 1 2 322.361 2.519 20 5 DFBDLO O=[N+]([O-])c1ccc(NCc2ccc(Cn3cc[nH+]c3)cc2)cn1 ZINC000078269119 398945859 /nfs/dbraw/zinc/94/58/59/398945859.db2.gz ZHWJYUIJIGIRRR-UHFFFAOYSA-N 1 2 309.329 2.847 20 5 DFBDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000158406259 398957446 /nfs/dbraw/zinc/95/74/46/398957446.db2.gz VPWSLGFGUYLNTC-HFBAOOFYSA-N 1 2 324.352 2.502 20 5 DFBDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000158406259 398957448 /nfs/dbraw/zinc/95/74/48/398957448.db2.gz VPWSLGFGUYLNTC-HFBAOOFYSA-N 1 2 324.352 2.502 20 5 DFBDLO Cc1ccc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1F ZINC000599354641 398960468 /nfs/dbraw/zinc/96/04/68/398960468.db2.gz YOLAVHGEKHOZDU-UHFFFAOYSA-N 1 2 301.321 2.996 20 5 DFBDLO Cc1ccc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1F ZINC000599354641 398960472 /nfs/dbraw/zinc/96/04/72/398960472.db2.gz YOLAVHGEKHOZDU-UHFFFAOYSA-N 1 2 301.321 2.996 20 5 DFBDLO COC(=O)C1([N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCC1 ZINC000595547213 398964198 /nfs/dbraw/zinc/96/41/98/398964198.db2.gz NIHIAPARBLDHJG-UHFFFAOYSA-N 1 2 304.346 2.655 20 5 DFBDLO COC(=O)C1([N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCC1 ZINC000595547213 398964201 /nfs/dbraw/zinc/96/42/01/398964201.db2.gz NIHIAPARBLDHJG-UHFFFAOYSA-N 1 2 304.346 2.655 20 5 DFBDLO Cc1cc(NC[C@@H](C)CCO)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000078580234 398969135 /nfs/dbraw/zinc/96/91/35/398969135.db2.gz XLIKTDOJUBMLJM-NSHDSACASA-N 1 2 316.361 2.791 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595626565 399009147 /nfs/dbraw/zinc/00/91/47/399009147.db2.gz SHAQQMRRLQQMJO-MRXNPFEDSA-N 1 2 306.362 2.604 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595626565 399009152 /nfs/dbraw/zinc/00/91/52/399009152.db2.gz SHAQQMRRLQQMJO-MRXNPFEDSA-N 1 2 306.362 2.604 20 5 DFBDLO COC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000595665760 399026726 /nfs/dbraw/zinc/02/67/26/399026726.db2.gz XEFZHEWGHZFRCZ-UHFFFAOYSA-N 1 2 306.362 2.903 20 5 DFBDLO COC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000595665760 399026731 /nfs/dbraw/zinc/02/67/31/399026731.db2.gz XEFZHEWGHZFRCZ-UHFFFAOYSA-N 1 2 306.362 2.903 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)c1cscn1 ZINC000595669591 399027877 /nfs/dbraw/zinc/02/78/77/399027877.db2.gz WWLFGLIMQGBYFE-SNVBAGLBSA-N 1 2 320.374 2.649 20 5 DFBDLO CCOc1cc(C[N@@H+]2CCO[C@@H](CCF)C2)ccc1[N+](=O)[O-] ZINC000599643937 399039946 /nfs/dbraw/zinc/03/99/46/399039946.db2.gz WWJDFLCPAFEKBB-ZDUSSCGKSA-N 1 2 312.341 2.554 20 5 DFBDLO CCOc1cc(C[N@H+]2CCO[C@@H](CCF)C2)ccc1[N+](=O)[O-] ZINC000599643937 399039951 /nfs/dbraw/zinc/03/99/51/399039951.db2.gz WWJDFLCPAFEKBB-ZDUSSCGKSA-N 1 2 312.341 2.554 20 5 DFBDLO CCC(O)(CC)C[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000599673932 399057491 /nfs/dbraw/zinc/05/74/91/399057491.db2.gz WJNHWKSKANXTJU-UHFFFAOYSA-N 1 2 302.321 2.856 20 5 DFBDLO CCC(O)(CC)C[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000599673932 399057494 /nfs/dbraw/zinc/05/74/94/399057494.db2.gz WJNHWKSKANXTJU-UHFFFAOYSA-N 1 2 302.321 2.856 20 5 DFBDLO COC(=O)C1C[C@@H](C)[NH+](Cc2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000599690368 399066463 /nfs/dbraw/zinc/06/64/63/399066463.db2.gz XWYXXINZVYUOQG-GHMZBOCLSA-N 1 2 324.352 2.896 20 5 DFBDLO Cn1cc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c(C(F)F)n1 ZINC000613743020 399074665 /nfs/dbraw/zinc/07/46/65/399074665.db2.gz KWKMELLFSGJJDI-UHFFFAOYSA-N 1 2 322.315 2.824 20 5 DFBDLO Cn1cc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c(C(F)F)n1 ZINC000613743020 399074671 /nfs/dbraw/zinc/07/46/71/399074671.db2.gz KWKMELLFSGJJDI-UHFFFAOYSA-N 1 2 322.315 2.824 20 5 DFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@H]1CC12CC2 ZINC000418972549 296122388 /nfs/dbraw/zinc/12/23/88/296122388.db2.gz CNJVJXGGJGHFLJ-CQSZACIVSA-N 1 2 317.389 2.639 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)cs1 ZINC000340196268 284158494 /nfs/dbraw/zinc/15/84/94/284158494.db2.gz BFTBVIDNRHFBKJ-ONGXEEELSA-N 1 2 324.324 2.934 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)cs1 ZINC000340196268 284158496 /nfs/dbraw/zinc/15/84/96/284158496.db2.gz BFTBVIDNRHFBKJ-ONGXEEELSA-N 1 2 324.324 2.934 20 5 DFBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@@H](CC(F)(F)F)C2)cc1 ZINC000595885737 399122512 /nfs/dbraw/zinc/12/25/12/399122512.db2.gz ISJZZDQUSLPTBK-ZDUSSCGKSA-N 1 2 318.295 2.791 20 5 DFBDLO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@@H](CC(F)(F)F)C2)cc1 ZINC000595885737 399122520 /nfs/dbraw/zinc/12/25/20/399122520.db2.gz ISJZZDQUSLPTBK-ZDUSSCGKSA-N 1 2 318.295 2.791 20 5 DFBDLO Cn1ccnc1[C@H]([NH2+][C@H]1CCC[C@H]1F)c1cccc([N+](=O)[O-])c1 ZINC000340524018 284188325 /nfs/dbraw/zinc/18/83/25/284188325.db2.gz AXOGZHSAUYITIS-QLFBSQMISA-N 1 2 318.352 2.898 20 5 DFBDLO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1nnc2n1CCCC2 ZINC000359953437 296158735 /nfs/dbraw/zinc/15/87/35/296158735.db2.gz WSVKMHKQNFFALN-VXGBXAGGSA-N 1 2 315.377 2.934 20 5 DFBDLO O=[N+]([O-])c1ccc(-c2ccc(N[C@H]3CCCC[C@@H]3O)[nH+]c2)cn1 ZINC000600790016 399147909 /nfs/dbraw/zinc/14/79/09/399147909.db2.gz WNXPNWUWPBSSPR-KBPBESRZSA-N 1 2 314.345 2.767 20 5 DFBDLO Cc1cc(NC[C@@H](C)[NH+]2CCOCC2)c(Cl)cc1[N+](=O)[O-] ZINC000080553763 399158126 /nfs/dbraw/zinc/15/81/26/399158126.db2.gz MWLRBZHDLOXMJG-LLVKDONJSA-N 1 2 313.785 2.689 20 5 DFBDLO CC(C)c1noc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282574207 217098873 /nfs/dbraw/zinc/09/88/73/217098873.db2.gz ZYJUGWCACFUKEH-UHFFFAOYSA-N 1 2 304.350 2.776 20 5 DFBDLO CC(C)c1noc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282574207 217098878 /nfs/dbraw/zinc/09/88/78/217098878.db2.gz ZYJUGWCACFUKEH-UHFFFAOYSA-N 1 2 304.350 2.776 20 5 DFBDLO Cc1ccc(C[NH2+]Cc2ncnn2C(C)(C)C)cc1[N+](=O)[O-] ZINC000282588295 217109253 /nfs/dbraw/zinc/10/92/53/217109253.db2.gz GOUIWKHWAQSIQQ-UHFFFAOYSA-N 1 2 303.366 2.540 20 5 DFBDLO Cc1nc2[nH]ccc2c(NCCNc2ccccc2[N+](=O)[O-])[nH+]1 ZINC000080764836 399177491 /nfs/dbraw/zinc/17/74/91/399177491.db2.gz KLNUEZZYFWBSOU-UHFFFAOYSA-N 1 2 312.333 2.699 20 5 DFBDLO CCOc1nnc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000271682522 209123033 /nfs/dbraw/zinc/12/30/33/209123033.db2.gz PUFSSGFTHYRRSA-SECBINFHSA-N 1 2 308.363 2.696 20 5 DFBDLO C[C@@](CO)([NH2+]Cc1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000601150031 399241943 /nfs/dbraw/zinc/24/19/43/399241943.db2.gz SHRJSJLMBXWHBX-INIZCTEOSA-N 1 2 322.311 2.870 20 5 DFBDLO CCC[C@@H]1C[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000267691506 206220194 /nfs/dbraw/zinc/22/01/94/206220194.db2.gz RLAIIESBCVWTGZ-YPMHNXCESA-N 1 2 314.345 2.699 20 5 DFBDLO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000618893822 399253743 /nfs/dbraw/zinc/25/37/43/399253743.db2.gz CXVXQWOAOXLSBP-UHFFFAOYSA-N 1 2 311.301 2.576 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000421549075 296264996 /nfs/dbraw/zinc/26/49/96/296264996.db2.gz FXISESDSFHLPHL-WCQYABFASA-N 1 2 314.345 2.844 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421562499 296266100 /nfs/dbraw/zinc/26/61/00/296266100.db2.gz VPKXEUYRDKKBEA-UHFFFAOYSA-N 1 2 315.329 2.545 20 5 DFBDLO O=[N+]([O-])c1sccc1N1CCC[N@H+](Cc2cscn2)CC1 ZINC000608974211 399302210 /nfs/dbraw/zinc/30/22/10/399302210.db2.gz WIQZEDQKZPUOIT-UHFFFAOYSA-N 1 2 324.431 2.825 20 5 DFBDLO O=[N+]([O-])c1sccc1N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000608974211 399302211 /nfs/dbraw/zinc/30/22/11/399302211.db2.gz WIQZEDQKZPUOIT-UHFFFAOYSA-N 1 2 324.431 2.825 20 5 DFBDLO O=[N+]([O-])c1ccc(N2CCC[N@H+](Cc3cscn3)CC2)s1 ZINC000608973877 399302255 /nfs/dbraw/zinc/30/22/55/399302255.db2.gz LZWPWDACWCEKNS-UHFFFAOYSA-N 1 2 324.431 2.825 20 5 DFBDLO O=[N+]([O-])c1ccc(N2CCC[N@@H+](Cc3cscn3)CC2)s1 ZINC000608973877 399302256 /nfs/dbraw/zinc/30/22/56/399302256.db2.gz LZWPWDACWCEKNS-UHFFFAOYSA-N 1 2 324.431 2.825 20 5 DFBDLO COCC[N@H+](Cc1cncs1)Cc1ccc([N+](=O)[O-])cc1 ZINC000619182739 399309389 /nfs/dbraw/zinc/30/93/89/399309389.db2.gz SIJQEUQWLIGRPX-UHFFFAOYSA-N 1 2 307.375 2.700 20 5 DFBDLO COCC[N@@H+](Cc1cncs1)Cc1ccc([N+](=O)[O-])cc1 ZINC000619182739 399309392 /nfs/dbraw/zinc/30/93/92/399309392.db2.gz SIJQEUQWLIGRPX-UHFFFAOYSA-N 1 2 307.375 2.700 20 5 DFBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCO[C@@H]4CCCC[C@H]43)nc2c1 ZINC000610580951 399382392 /nfs/dbraw/zinc/38/23/92/399382392.db2.gz KWMFEPOASGAVDD-UKRRQHHQSA-N 1 2 317.345 2.879 20 5 DFBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCO[C@@H]4CCCC[C@H]43)nc2c1 ZINC000610580951 399382394 /nfs/dbraw/zinc/38/23/94/399382394.db2.gz KWMFEPOASGAVDD-UKRRQHHQSA-N 1 2 317.345 2.879 20 5 DFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285188348 218326171 /nfs/dbraw/zinc/32/61/71/218326171.db2.gz CDMJAGNPKCNVJQ-CJNGLKHVSA-N 1 2 306.362 2.537 20 5 DFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285188348 218326172 /nfs/dbraw/zinc/32/61/72/218326172.db2.gz CDMJAGNPKCNVJQ-CJNGLKHVSA-N 1 2 306.362 2.537 20 5 DFBDLO CC(C)C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC000602072788 399391407 /nfs/dbraw/zinc/39/14/07/399391407.db2.gz IFLLIQQVUXAEGC-HNNXBMFYSA-N 1 2 316.361 2.695 20 5 DFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000611179510 399442085 /nfs/dbraw/zinc/44/20/85/399442085.db2.gz DIYFKKGZTFAZHH-NXEZZACHSA-N 1 2 313.304 2.509 20 5 DFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C(F)F)C1 ZINC000611179510 399442087 /nfs/dbraw/zinc/44/20/87/399442087.db2.gz DIYFKKGZTFAZHH-NXEZZACHSA-N 1 2 313.304 2.509 20 5 DFBDLO Cc1ccc(C[N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)o1 ZINC000611252220 399451916 /nfs/dbraw/zinc/45/19/16/399451916.db2.gz VXDJSUATDKURQL-UHFFFAOYSA-N 1 2 318.329 2.899 20 5 DFBDLO Cc1ccc(C[N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)o1 ZINC000611252220 399451918 /nfs/dbraw/zinc/45/19/18/399451918.db2.gz VXDJSUATDKURQL-UHFFFAOYSA-N 1 2 318.329 2.899 20 5 DFBDLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)c([N+](=O)[O-])n1 ZINC000602441223 399444775 /nfs/dbraw/zinc/44/47/75/399444775.db2.gz VEQQPFPZMAKZQH-CQSZACIVSA-N 1 2 304.325 2.805 20 5 DFBDLO Cn1cc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)c([N+](=O)[O-])n1 ZINC000602441223 399444776 /nfs/dbraw/zinc/44/47/76/399444776.db2.gz VEQQPFPZMAKZQH-CQSZACIVSA-N 1 2 304.325 2.805 20 5 DFBDLO CO[C@H]1CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602473188 399454420 /nfs/dbraw/zinc/45/44/20/399454420.db2.gz LPNPJJKKJXLNBP-ZETCQYMHSA-N 1 2 321.196 2.640 20 5 DFBDLO CO[C@H]1CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602473188 399454422 /nfs/dbraw/zinc/45/44/22/399454422.db2.gz LPNPJJKKJXLNBP-ZETCQYMHSA-N 1 2 321.196 2.640 20 5 DFBDLO CCc1ccc([C@@H]2CCC[N@@H+]2Cc2cn(C)nc2[N+](=O)[O-])o1 ZINC000602473985 399454438 /nfs/dbraw/zinc/45/44/38/399454438.db2.gz NRTBLFLWUKWMLE-ZDUSSCGKSA-N 1 2 304.350 2.821 20 5 DFBDLO CCc1ccc([C@@H]2CCC[N@H+]2Cc2cn(C)nc2[N+](=O)[O-])o1 ZINC000602473985 399454441 /nfs/dbraw/zinc/45/44/41/399454441.db2.gz NRTBLFLWUKWMLE-ZDUSSCGKSA-N 1 2 304.350 2.821 20 5 DFBDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611285919 399458121 /nfs/dbraw/zinc/45/81/21/399458121.db2.gz PVMBLECTLIBDCV-INIZCTEOSA-N 1 2 316.361 2.679 20 5 DFBDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611285919 399458124 /nfs/dbraw/zinc/45/81/24/399458124.db2.gz PVMBLECTLIBDCV-INIZCTEOSA-N 1 2 316.361 2.679 20 5 DFBDLO Cc1cc[nH+]cc1NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602575686 399480391 /nfs/dbraw/zinc/48/03/91/399480391.db2.gz WOKGOORTUKXRLT-UHFFFAOYSA-N 1 2 313.361 2.774 20 5 DFBDLO Cc1c[nH+]cc(NC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000602573985 399479931 /nfs/dbraw/zinc/47/99/31/399479931.db2.gz CWLXKQPPJPVLIN-UHFFFAOYSA-N 1 2 313.361 2.774 20 5 DFBDLO Cc1ccnc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000616747610 399509588 /nfs/dbraw/zinc/50/95/88/399509588.db2.gz IMFPPTHUCPMFMY-UHFFFAOYSA-N 1 2 312.373 2.620 20 5 DFBDLO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)c([N+](=O)[O-])n1 ZINC000602681105 399517805 /nfs/dbraw/zinc/51/78/05/399517805.db2.gz JREHAFRCBBUMMN-AWEZNQCLSA-N 1 2 322.315 2.944 20 5 DFBDLO Cn1cc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2F)c([N+](=O)[O-])n1 ZINC000602681105 399517809 /nfs/dbraw/zinc/51/78/09/399517809.db2.gz JREHAFRCBBUMMN-AWEZNQCLSA-N 1 2 322.315 2.944 20 5 DFBDLO CCn1cc[nH+]c1[C@@H](C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602683762 399518984 /nfs/dbraw/zinc/51/89/84/399518984.db2.gz SDAPQWGOSPDWBP-SNVBAGLBSA-N 1 2 315.333 2.803 20 5 DFBDLO Cc1cc(NC2(CO)CCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000270250248 208315532 /nfs/dbraw/zinc/31/55/32/208315532.db2.gz RWKDDCDMFDBZSC-UHFFFAOYSA-N 1 2 314.345 2.687 20 5 DFBDLO Cn1cc(C[N@@H+](Cc2ccccc2F)CC2CC2)c([N+](=O)[O-])n1 ZINC000602718821 399537822 /nfs/dbraw/zinc/53/78/22/399537822.db2.gz UXAGLTJSOLZKCL-UHFFFAOYSA-N 1 2 318.352 2.880 20 5 DFBDLO Cn1cc(C[N@H+](Cc2ccccc2F)CC2CC2)c([N+](=O)[O-])n1 ZINC000602718821 399537824 /nfs/dbraw/zinc/53/78/24/399537824.db2.gz UXAGLTJSOLZKCL-UHFFFAOYSA-N 1 2 318.352 2.880 20 5 DFBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000266931018 285117039 /nfs/dbraw/zinc/11/70/39/285117039.db2.gz SRKCCLJOWXPBPI-CYBMUJFWSA-N 1 2 321.768 2.677 20 5 DFBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000266931018 285117041 /nfs/dbraw/zinc/11/70/41/285117041.db2.gz SRKCCLJOWXPBPI-CYBMUJFWSA-N 1 2 321.768 2.677 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)CN(c1cc[nH+]c3ccncc31)CCO2 ZINC000357805278 285143163 /nfs/dbraw/zinc/14/31/63/285143163.db2.gz LTUOWTFMRZEBSZ-UHFFFAOYSA-N 1 2 322.324 2.937 20 5 DFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000602770605 399565442 /nfs/dbraw/zinc/56/54/42/399565442.db2.gz VJOUKHOVAHYMGB-GFCCVEGCSA-N 1 2 321.406 2.783 20 5 DFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000602770605 399565449 /nfs/dbraw/zinc/56/54/49/399565449.db2.gz VJOUKHOVAHYMGB-GFCCVEGCSA-N 1 2 321.406 2.783 20 5 DFBDLO CC[C@](C)([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1nc(C)cs1 ZINC000602793881 399577370 /nfs/dbraw/zinc/57/73/70/399577370.db2.gz TVQPTOPGAIEBIL-ZDUSSCGKSA-N 1 2 309.395 2.508 20 5 DFBDLO Cn1cc[nH+]c1[C@@H]1N(Cc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000294798961 224229892 /nfs/dbraw/zinc/22/98/92/224229892.db2.gz MRYUGLFJTAWGCB-AWEZNQCLSA-N 1 2 300.362 2.911 20 5 DFBDLO Cc1cnn([C@H]2CC[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)c1 ZINC000290024969 221385775 /nfs/dbraw/zinc/38/57/75/221385775.db2.gz VIZAUGDBLSEHEO-NSHDSACASA-N 1 2 322.315 2.825 20 5 DFBDLO Cc1cnn([C@H]2CC[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)c1 ZINC000290024969 221385778 /nfs/dbraw/zinc/38/57/78/221385778.db2.gz VIZAUGDBLSEHEO-NSHDSACASA-N 1 2 322.315 2.825 20 5 DFBDLO CCn1c(C)nc([N+](=O)[O-])c1NCCCc1[nH+]cccc1C ZINC000294985771 224359667 /nfs/dbraw/zinc/35/96/67/224359667.db2.gz MMCVXCRCASMUKJ-UHFFFAOYSA-N 1 2 303.366 2.868 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(N2CCC[C@H]2Cn2cc[nH+]c2)c(F)c1 ZINC000121753459 195340581 /nfs/dbraw/zinc/34/05/81/195340581.db2.gz OHYUYHWRCWELBN-JTQLQIEISA-N 1 2 308.288 2.739 20 5 DFBDLO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)F ZINC000603428350 399774428 /nfs/dbraw/zinc/77/44/28/399774428.db2.gz IOBNFOIWISGMNZ-DTWKUNHWSA-N 1 2 301.293 2.555 20 5 DFBDLO Cn1ccnc1[C@H]([NH2+][C@H]1C[C@H]1C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000348292308 285476510 /nfs/dbraw/zinc/47/65/10/285476510.db2.gz NHVKTCNAMLPORM-FRRDWIJNSA-N 1 2 322.315 2.661 20 5 DFBDLO CCCC(=O)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000603934162 399818415 /nfs/dbraw/zinc/81/84/15/399818415.db2.gz GJEGGBLTULOCBO-UHFFFAOYSA-N 1 2 311.407 2.537 20 5 DFBDLO Cn1ccnc1[C@@H]([NH2+][C@@H]1CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000353616929 146688931 /nfs/dbraw/zinc/68/89/31/146688931.db2.gz BZSIJCLVNQFBAU-KGLIPLIRSA-N 1 2 300.362 2.806 20 5 DFBDLO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccon1 ZINC000349250769 285817470 /nfs/dbraw/zinc/81/74/70/285817470.db2.gz ZIOVXYMTOVXSCF-MRVPVSSYSA-N 1 2 324.724 2.526 20 5 DFBDLO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1nnc2n1CCCC2 ZINC000173452657 145344125 /nfs/dbraw/zinc/34/41/25/145344125.db2.gz FVIHBAKQGOWRJU-RYUDHWBXSA-N 1 2 315.377 2.934 20 5 DFBDLO O=[N+]([O-])c1ccc(CN[C@H](c2[nH]cc[nH+]2)c2cccnc2)cc1 ZINC000195065617 145981309 /nfs/dbraw/zinc/98/13/09/145981309.db2.gz WLYXIRYLLPLCBT-HNNXBMFYSA-N 1 2 309.329 2.592 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)O[C@H](CC)C1 ZINC000245462585 146075101 /nfs/dbraw/zinc/07/51/01/146075101.db2.gz GODPFAJNVLYEDD-IUODEOHRSA-N 1 2 308.378 2.993 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)O[C@H](CC)C1 ZINC000245462585 146075102 /nfs/dbraw/zinc/07/51/02/146075102.db2.gz GODPFAJNVLYEDD-IUODEOHRSA-N 1 2 308.378 2.993 20 5 DFBDLO Cc1[nH]c2ccc(NC(=O)c3c(N)cccc3[N+](=O)[O-])cc2[nH+]1 ZINC000354344167 147002524 /nfs/dbraw/zinc/00/25/24/147002524.db2.gz GQUCKEGIFDTGNU-UHFFFAOYSA-N 1 2 311.301 2.614 20 5 DFBDLO Cc1[nH]c2cc(NC(=O)c3c(N)cccc3[N+](=O)[O-])ccc2[nH+]1 ZINC000354344167 147002526 /nfs/dbraw/zinc/00/25/26/147002526.db2.gz GQUCKEGIFDTGNU-UHFFFAOYSA-N 1 2 311.301 2.614 20 5 DFBDLO CCn1cc[nH+]c1/C=C\C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000493023041 299700145 /nfs/dbraw/zinc/70/01/45/299700145.db2.gz OWGIMDUBNITPPP-LAUAKBEESA-N 1 2 314.345 2.702 20 5 DFBDLO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H](C)c1cccc(OC)c1 ZINC000355541287 147357069 /nfs/dbraw/zinc/35/70/69/147357069.db2.gz HWVHOYGTSZJVPN-LBPRGKRZSA-N 1 2 318.377 2.920 20 5 DFBDLO CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H](C)c1cccc(OC)c1 ZINC000355541287 147357071 /nfs/dbraw/zinc/35/70/71/147357071.db2.gz HWVHOYGTSZJVPN-LBPRGKRZSA-N 1 2 318.377 2.920 20 5 DFBDLO CCc1nc(N2CCOc3ccc([N+](=O)[O-])cc3C2)cc(C)[nH+]1 ZINC000357815630 148133605 /nfs/dbraw/zinc/13/36/05/148133605.db2.gz LHVJUYBGQHHFBB-UHFFFAOYSA-N 1 2 314.345 2.655 20 5 DFBDLO C[C@H]([NH2+]Cc1nnc(C2CCC2)n1C)c1ccccc1[N+](=O)[O-] ZINC000361149996 149040269 /nfs/dbraw/zinc/04/02/69/149040269.db2.gz XODQJXBBVXDCIP-NSHDSACASA-N 1 2 315.377 2.842 20 5 DFBDLO COc1cc(N(C)Cc2cn3c([nH+]2)CCCC3)ccc1[N+](=O)[O-] ZINC000369350876 149771763 /nfs/dbraw/zinc/77/17/63/149771763.db2.gz XPGFIBWYDMKJRS-UHFFFAOYSA-N 1 2 316.361 2.773 20 5 DFBDLO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000371559203 150065676 /nfs/dbraw/zinc/06/56/76/150065676.db2.gz GBDPDKAVVPDHFK-GFCCVEGCSA-N 1 2 320.736 2.949 20 5 DFBDLO CCc1ccc(C(=O)NCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000351718589 286201908 /nfs/dbraw/zinc/20/19/08/286201908.db2.gz IOSXSEAWNAPUGR-UHFFFAOYSA-N 1 2 324.340 2.735 20 5 DFBDLO COC(=O)[C@@H](CC(C)C)[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000351878805 286235833 /nfs/dbraw/zinc/23/58/33/286235833.db2.gz SEZCGPMWPVPRPS-CQSZACIVSA-N 1 2 324.377 2.623 20 5 DFBDLO COC(=O)[C@@H](CC(C)C)[N@@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000351878805 286235834 /nfs/dbraw/zinc/23/58/34/286235834.db2.gz SEZCGPMWPVPRPS-CQSZACIVSA-N 1 2 324.377 2.623 20 5 DFBDLO COc1cc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000351971043 286257688 /nfs/dbraw/zinc/25/76/88/286257688.db2.gz NOEPLMNCFUAJOQ-ZFWWWQNUSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1cc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000351971043 286257689 /nfs/dbraw/zinc/25/76/89/286257689.db2.gz NOEPLMNCFUAJOQ-ZFWWWQNUSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1cc(C[NH+]2CCC(c3ccn[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000352399915 286364016 /nfs/dbraw/zinc/36/40/16/286364016.db2.gz OJVDRDGZDBWLEF-UHFFFAOYSA-N 1 2 316.361 2.706 20 5 DFBDLO CC[C@@H]([NH2+][C@H](C)c1nnnn1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000190619110 286929825 /nfs/dbraw/zinc/92/98/25/286929825.db2.gz HQCJBXURHNXHJB-QMTHXVAHSA-N 1 2 316.365 2.718 20 5 DFBDLO O=[N+]([O-])c1ccccc1NCc1ccc(C[NH+]2CCOCC2)o1 ZINC000302178754 230145220 /nfs/dbraw/zinc/14/52/20/230145220.db2.gz XLFIFSMTUAUADR-UHFFFAOYSA-N 1 2 317.345 2.632 20 5 DFBDLO O=C(NCCCNc1cccc[nH+]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000047415344 425869419 /nfs/dbraw/zinc/86/94/19/425869419.db2.gz YCASRBZQKQCNBL-UHFFFAOYSA-N 1 2 315.333 2.614 20 5 DFBDLO Cc1cc(NC(C)(C)[C@@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000270731821 268208490 /nfs/dbraw/zinc/20/84/90/268208490.db2.gz RGYNGUJFOCGKLX-LLVKDONJSA-N 1 2 316.361 2.932 20 5 DFBDLO Cc1cc(N[C@H]2CCO[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000270823067 268222988 /nfs/dbraw/zinc/22/29/88/268222988.db2.gz ZAQMMUIUSYFFOV-RISCZKNCSA-N 1 2 314.345 2.950 20 5 DFBDLO Cc1ccn2cc(CNC(=O)c3ccc([N+](=O)[O-])c(C)c3)[nH+]c2c1 ZINC000107429417 425991766 /nfs/dbraw/zinc/99/17/66/425991766.db2.gz QLFZAFJBUHJPBY-UHFFFAOYSA-N 1 2 324.340 2.789 20 5 DFBDLO Cc1cc([N+](=O)[O-])cnc1N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000108952460 426025923 /nfs/dbraw/zinc/02/59/23/426025923.db2.gz UUALEOZWKUHISX-UHFFFAOYSA-N 1 2 315.377 2.718 20 5 DFBDLO C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000161569899 426029713 /nfs/dbraw/zinc/02/97/13/426029713.db2.gz HSZVOKCTTRLMGO-VXGBXAGGSA-N 1 2 314.345 2.794 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000072068790 426009485 /nfs/dbraw/zinc/00/94/85/426009485.db2.gz USOOZRFRLOQSQU-UHFFFAOYSA-N 1 2 300.318 2.617 20 5 DFBDLO C[N@H+](CC(=O)Nc1cccc(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000072563248 426017043 /nfs/dbraw/zinc/01/70/43/426017043.db2.gz WWPJDXSEBHRDJX-UHFFFAOYSA-N 1 2 317.320 2.804 20 5 DFBDLO C[N@@H+](CC(=O)Nc1cccc(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000072563248 426017045 /nfs/dbraw/zinc/01/70/45/426017045.db2.gz WWPJDXSEBHRDJX-UHFFFAOYSA-N 1 2 317.320 2.804 20 5 DFBDLO Cc1occc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000128493170 426120582 /nfs/dbraw/zinc/12/05/82/426120582.db2.gz JRCXYUFXBCBVRM-NSHDSACASA-N 1 2 317.345 2.955 20 5 DFBDLO Cc1occc1C[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000128493170 426120585 /nfs/dbraw/zinc/12/05/85/426120585.db2.gz JRCXYUFXBCBVRM-NSHDSACASA-N 1 2 317.345 2.955 20 5 DFBDLO C[C@@H](NC(=O)c1ccc2[nH+]ccn2c1)c1cccc([N+](=O)[O-])c1 ZINC000170870671 426156949 /nfs/dbraw/zinc/15/69/49/426156949.db2.gz QZNWMKKQFGAMLQ-LLVKDONJSA-N 1 2 310.313 2.734 20 5 DFBDLO CCn1cc[nH+]c1Cc1nc2cc3ccccc3cc2c(=O)[nH]1 ZINC000083937127 426230790 /nfs/dbraw/zinc/23/07/90/426230790.db2.gz KEQANCYJEGQSBA-UHFFFAOYSA-N 1 2 304.353 2.884 20 5 DFBDLO Cc1ccc([C@@H](C)Nc2[nH+]cnc3c2cnn3C)cc1[N+](=O)[O-] ZINC000174932479 426269671 /nfs/dbraw/zinc/26/96/71/426269671.db2.gz ZNJRRCHFUOHAHZ-SNVBAGLBSA-N 1 2 312.333 2.753 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)O[C@@H](CC)C1 ZINC000175221892 426288860 /nfs/dbraw/zinc/28/88/60/426288860.db2.gz GODPFAJNVLYEDD-WFASDCNBSA-N 1 2 308.378 2.993 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)O[C@@H](CC)C1 ZINC000175221892 426288861 /nfs/dbraw/zinc/28/88/61/426288861.db2.gz GODPFAJNVLYEDD-WFASDCNBSA-N 1 2 308.378 2.993 20 5 DFBDLO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000090224224 426324517 /nfs/dbraw/zinc/32/45/17/426324517.db2.gz NYKLBUQVRALTCH-SMDDNHRTSA-N 1 2 315.377 2.989 20 5 DFBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000121201676 426324631 /nfs/dbraw/zinc/32/46/31/426324631.db2.gz HXYJJTKWHUBYKQ-INIZCTEOSA-N 1 2 318.329 2.640 20 5 DFBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000121201676 426324634 /nfs/dbraw/zinc/32/46/34/426324634.db2.gz HXYJJTKWHUBYKQ-INIZCTEOSA-N 1 2 318.329 2.640 20 5 DFBDLO COC(=O)C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000153489400 426388312 /nfs/dbraw/zinc/38/83/12/426388312.db2.gz QDWIRQITGAUJRJ-UHFFFAOYSA-N 1 2 300.742 2.632 20 5 DFBDLO COC(=O)C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000153489400 426388314 /nfs/dbraw/zinc/38/83/14/426388314.db2.gz QDWIRQITGAUJRJ-UHFFFAOYSA-N 1 2 300.742 2.632 20 5 DFBDLO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000153912559 426413746 /nfs/dbraw/zinc/41/37/46/426413746.db2.gz BKVQRJJKUKWFJS-NSHDSACASA-N 1 2 307.741 2.509 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)ccc1Cl ZINC000154009570 426419034 /nfs/dbraw/zinc/41/90/34/426419034.db2.gz HTCZIMMIOCFYBA-LLVKDONJSA-N 1 2 324.686 2.747 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)ccc1Cl ZINC000154009570 426419036 /nfs/dbraw/zinc/41/90/36/426419036.db2.gz HTCZIMMIOCFYBA-LLVKDONJSA-N 1 2 324.686 2.747 20 5 DFBDLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000177785374 426521268 /nfs/dbraw/zinc/52/12/68/426521268.db2.gz CJJIPWPYQMLHIF-UHFFFAOYSA-N 1 2 311.301 2.564 20 5 DFBDLO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@]2(CCOC2)O1 ZINC000280398421 426566396 /nfs/dbraw/zinc/56/63/96/426566396.db2.gz XOWUUZZLEWOWLN-INIZCTEOSA-N 1 2 324.352 2.504 20 5 DFBDLO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@]2(CCOC2)O1 ZINC000280398421 426566399 /nfs/dbraw/zinc/56/63/99/426566399.db2.gz XOWUUZZLEWOWLN-INIZCTEOSA-N 1 2 324.352 2.504 20 5 DFBDLO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)C2 ZINC000220601880 426576722 /nfs/dbraw/zinc/57/67/22/426576722.db2.gz LTFOLFSNKWISTE-LLVKDONJSA-N 1 2 314.345 2.678 20 5 DFBDLO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)CC2 ZINC000220601880 426576728 /nfs/dbraw/zinc/57/67/28/426576728.db2.gz LTFOLFSNKWISTE-LLVKDONJSA-N 1 2 314.345 2.678 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H](C)[S@]1=O ZINC000289216042 426606837 /nfs/dbraw/zinc/60/68/37/426606837.db2.gz CGHIPLKNBFXDHQ-MTNMJMNLSA-N 1 2 310.419 2.635 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H](C)[S@]1=O ZINC000289216042 426606841 /nfs/dbraw/zinc/60/68/41/426606841.db2.gz CGHIPLKNBFXDHQ-MTNMJMNLSA-N 1 2 310.419 2.635 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H](C)[S@@]1=O ZINC000289216039 426607171 /nfs/dbraw/zinc/60/71/71/426607171.db2.gz CGHIPLKNBFXDHQ-YOEYROIRSA-N 1 2 310.419 2.635 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H](C)[S@@]1=O ZINC000289216039 426607175 /nfs/dbraw/zinc/60/71/75/426607175.db2.gz CGHIPLKNBFXDHQ-YOEYROIRSA-N 1 2 310.419 2.635 20 5 DFBDLO CCn1nc(C)c([N+](=O)[O-])c1Nc1ccc2c(c1)[nH+]cn2C ZINC000280807287 426660995 /nfs/dbraw/zinc/66/09/95/426660995.db2.gz WLTLRELAGJSEJP-UHFFFAOYSA-N 1 2 300.322 2.750 20 5 DFBDLO COc1cc[nH+]cc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265805976 426693019 /nfs/dbraw/zinc/69/30/19/426693019.db2.gz WOMSHPQYPFXEBJ-UHFFFAOYSA-N 1 2 315.329 2.915 20 5 DFBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000281792071 426766152 /nfs/dbraw/zinc/76/61/52/426766152.db2.gz MCUCRQAPHJGXBQ-NSHDSACASA-N 1 2 318.333 2.772 20 5 DFBDLO Cc1cnc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000180427523 426859173 /nfs/dbraw/zinc/85/91/73/426859173.db2.gz CWTXMVLNIJBOKV-UHFFFAOYSA-N 1 2 318.402 2.682 20 5 DFBDLO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)cc1[N+](=O)[O-] ZINC000295245425 426875299 /nfs/dbraw/zinc/87/52/99/426875299.db2.gz PPRWOZLTQFNMIV-ZYHUDNBSSA-N 1 2 302.334 2.596 20 5 DFBDLO COc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)nn1 ZINC000283126218 426959962 /nfs/dbraw/zinc/95/99/62/426959962.db2.gz NCZUPSMAOOIZGY-UHFFFAOYSA-N 1 2 314.345 2.558 20 5 DFBDLO COc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)nn1 ZINC000283126218 426959970 /nfs/dbraw/zinc/95/99/70/426959970.db2.gz NCZUPSMAOOIZGY-UHFFFAOYSA-N 1 2 314.345 2.558 20 5 DFBDLO CCOC(=O)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H](C)CC ZINC000181647479 426969765 /nfs/dbraw/zinc/96/97/65/426969765.db2.gz SVMOYCPULXZLHZ-WFASDCNBSA-N 1 2 308.378 2.705 20 5 DFBDLO C[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000283336105 426998869 /nfs/dbraw/zinc/99/88/69/426998869.db2.gz ASHNUESVMMMYPW-NSHDSACASA-N 1 2 303.366 2.792 20 5 DFBDLO CCC[C@H]([NH2+][C@H](C)c1ncnn1C)c1cccc([N+](=O)[O-])c1 ZINC000276581316 427106049 /nfs/dbraw/zinc/10/60/49/427106049.db2.gz IDNUUNAMGRZDGQ-RISCZKNCSA-N 1 2 303.366 2.915 20 5 DFBDLO Cc1c(C(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)cccc1[N+](=O)[O-] ZINC000276782933 427117104 /nfs/dbraw/zinc/11/71/04/427117104.db2.gz ZOYBBVKZJYPRTJ-ZDUSSCGKSA-N 1 2 302.334 2.753 20 5 DFBDLO Cc1c(C(=O)Nc2nc(C[NH+](C)C)cs2)cccc1[N+](=O)[O-] ZINC000170484580 271097798 /nfs/dbraw/zinc/09/77/98/271097798.db2.gz KIXCHZHGGKCXKQ-UHFFFAOYSA-N 1 2 320.374 2.674 20 5 DFBDLO Cc1cc(N(C)CC(C)(C)O)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301307269 271361443 /nfs/dbraw/zinc/36/14/43/271361443.db2.gz VPAAMKKEQHXBPL-UHFFFAOYSA-N 1 2 316.361 2.567 20 5 DFBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000296520603 427209131 /nfs/dbraw/zinc/20/91/31/427209131.db2.gz AHDBSJPSLODZLI-UHFFFAOYSA-N 1 2 324.425 2.520 20 5 DFBDLO COc1ccnc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1OC ZINC000191046188 427242221 /nfs/dbraw/zinc/24/22/21/427242221.db2.gz MQHHYPZGQJQBDL-NSHDSACASA-N 1 2 317.345 2.858 20 5 DFBDLO C[C@H]1CCC[C@H](CO)[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285479068 427243853 /nfs/dbraw/zinc/24/38/53/427243853.db2.gz CMOWTDTZZAGFSZ-VHSXEESVSA-N 1 2 300.305 2.608 20 5 DFBDLO C[C@H]1CCC[C@H](CO)[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285479068 427243858 /nfs/dbraw/zinc/24/38/58/427243858.db2.gz CMOWTDTZZAGFSZ-VHSXEESVSA-N 1 2 300.305 2.608 20 5 DFBDLO CCc1nocc1C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000293411537 427318322 /nfs/dbraw/zinc/31/83/22/427318322.db2.gz MNQJRBACMMUPON-UHFFFAOYSA-N 1 2 316.317 2.918 20 5 DFBDLO CCc1nocc1C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000293411537 427318325 /nfs/dbraw/zinc/31/83/25/427318325.db2.gz MNQJRBACMMUPON-UHFFFAOYSA-N 1 2 316.317 2.918 20 5 DFBDLO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2nncn2C)cc1[N+](=O)[O-] ZINC000271019111 427373112 /nfs/dbraw/zinc/37/31/12/427373112.db2.gz AAMIZKAPNNKHQC-QWRGUYRKSA-N 1 2 319.365 2.534 20 5 DFBDLO CC(=O)c1cc(NCc2ccc(N(C)C)[nH+]c2)ccc1[N+](=O)[O-] ZINC000286075774 427419335 /nfs/dbraw/zinc/41/93/35/427419335.db2.gz JJACCTHYSHSQES-UHFFFAOYSA-N 1 2 314.345 2.871 20 5 DFBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000297788615 427452571 /nfs/dbraw/zinc/45/25/71/427452571.db2.gz REWBYJQJYPSWCZ-CYBMUJFWSA-N 1 2 314.345 2.552 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1nccs1 ZINC000184410638 427453404 /nfs/dbraw/zinc/45/34/04/427453404.db2.gz KXAUTNXSVXYXFR-JTQLQIEISA-N 1 2 320.374 2.649 20 5 DFBDLO CC[C@@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@@H](C)[S@@]1=O ZINC000286093439 427424034 /nfs/dbraw/zinc/42/40/34/427424034.db2.gz SXIHUGGOOPFPFT-WPGAZNDASA-N 1 2 310.419 2.887 20 5 DFBDLO CC[C@@H]1C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@@H](C)[S@@]1=O ZINC000286093439 427424041 /nfs/dbraw/zinc/42/40/41/427424041.db2.gz SXIHUGGOOPFPFT-WPGAZNDASA-N 1 2 310.419 2.887 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000331543095 427436605 /nfs/dbraw/zinc/43/66/05/427436605.db2.gz HYDQQTUYYXIYIX-ZDUSSCGKSA-N 1 2 304.325 2.805 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000331543095 427436612 /nfs/dbraw/zinc/43/66/12/427436612.db2.gz HYDQQTUYYXIYIX-ZDUSSCGKSA-N 1 2 304.325 2.805 20 5 DFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1CCC[C@@H]1F ZINC000338840018 427515148 /nfs/dbraw/zinc/51/51/48/427515148.db2.gz CUGVRPHOUTVFLP-UONOGXRCSA-N 1 2 323.368 2.730 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(F)cn1 ZINC000271435930 427534031 /nfs/dbraw/zinc/53/40/31/427534031.db2.gz WULGQBHTIIANGA-SNVBAGLBSA-N 1 2 305.309 2.988 20 5 DFBDLO CC(C)[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000338882793 427538516 /nfs/dbraw/zinc/53/85/16/427538516.db2.gz JCLQPMDSAKJPPS-LBPRGKRZSA-N 1 2 306.297 2.584 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCS1 ZINC000332192012 427540653 /nfs/dbraw/zinc/54/06/53/427540653.db2.gz BSCKTXCPHIMFEL-LLVKDONJSA-N 1 2 306.391 2.799 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCS1 ZINC000332192012 427540660 /nfs/dbraw/zinc/54/06/60/427540660.db2.gz BSCKTXCPHIMFEL-LLVKDONJSA-N 1 2 306.391 2.799 20 5 DFBDLO CCCn1ncnc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000279074307 427550996 /nfs/dbraw/zinc/55/09/96/427550996.db2.gz KQOXEHXPTJVHES-LBPRGKRZSA-N 1 2 303.366 2.756 20 5 DFBDLO CCC1(CC)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000185262958 427623325 /nfs/dbraw/zinc/62/33/25/427623325.db2.gz SRTLDFIWHFTCMR-OAQYLSRUSA-N 1 2 310.419 2.718 20 5 DFBDLO CCC1(CC)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000185262958 427623331 /nfs/dbraw/zinc/62/33/31/427623331.db2.gz SRTLDFIWHFTCMR-OAQYLSRUSA-N 1 2 310.419 2.718 20 5 DFBDLO C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ncnn1C ZINC000279183711 427586644 /nfs/dbraw/zinc/58/66/44/427586644.db2.gz VUBMLFCDYVMYGK-YGRLFVJLSA-N 1 2 315.377 2.797 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000339046184 427644817 /nfs/dbraw/zinc/64/48/17/427644817.db2.gz GRNIYFCRHLAHRD-STQMWFEESA-N 1 2 306.362 2.549 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000339046184 427644823 /nfs/dbraw/zinc/64/48/23/427644823.db2.gz GRNIYFCRHLAHRD-STQMWFEESA-N 1 2 306.362 2.549 20 5 DFBDLO COc1ccccc1C[N@H+](CCO)Cc1csc([N+](=O)[O-])c1 ZINC000264079639 427652594 /nfs/dbraw/zinc/65/25/94/427652594.db2.gz NRYMSKGPYMQAQG-UHFFFAOYSA-N 1 2 322.386 2.659 20 5 DFBDLO COc1ccccc1C[N@@H+](CCO)Cc1csc([N+](=O)[O-])c1 ZINC000264079639 427652603 /nfs/dbraw/zinc/65/26/03/427652603.db2.gz NRYMSKGPYMQAQG-UHFFFAOYSA-N 1 2 322.386 2.659 20 5 DFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccoc1 ZINC000342678111 272040832 /nfs/dbraw/zinc/04/08/32/272040832.db2.gz SGSXVJVHJLSWGS-LLVKDONJSA-N 1 2 303.318 2.647 20 5 DFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccoc1 ZINC000342678111 272040834 /nfs/dbraw/zinc/04/08/34/272040834.db2.gz SGSXVJVHJLSWGS-LLVKDONJSA-N 1 2 303.318 2.647 20 5 DFBDLO Cc1cc(C)c(NC(=O)c2cc([N+](=O)[O-])cnc2C)c(C)[nH+]1 ZINC000193182926 427674404 /nfs/dbraw/zinc/67/44/04/427674404.db2.gz NZXISTUDTMETPO-UHFFFAOYSA-N 1 2 300.318 2.871 20 5 DFBDLO O=[N+]([O-])c1cccc(CC[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)c1 ZINC000343715293 272207048 /nfs/dbraw/zinc/20/70/48/272207048.db2.gz NYQFLGLJMJUPQJ-MRXNPFEDSA-N 1 2 323.356 2.635 20 5 DFBDLO O=[N+]([O-])c1ccc(CCN2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000298688653 427679351 /nfs/dbraw/zinc/67/93/51/427679351.db2.gz CGOWEIQXCRKBOW-UHFFFAOYSA-N 1 2 315.373 2.548 20 5 DFBDLO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H](c1ncc[nH]1)c1ccccn1 ZINC000344081854 272259013 /nfs/dbraw/zinc/25/90/13/272259013.db2.gz VYHYMNADXHHDMF-MRXNPFEDSA-N 1 2 323.356 2.635 20 5 DFBDLO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])nc1)c1c(F)cccc1F ZINC000344439074 272331076 /nfs/dbraw/zinc/33/10/76/272331076.db2.gz TXJVFKVBESEZTM-ZDUSSCGKSA-N 1 2 322.315 2.983 20 5 DFBDLO COc1cc(NCc2cc[nH+]c(N(C)C)c2)ccc1[N+](=O)[O-] ZINC000301351809 427790894 /nfs/dbraw/zinc/79/08/94/427790894.db2.gz KIRAFXNXSPBUDI-UHFFFAOYSA-N 1 2 302.334 2.677 20 5 DFBDLO C[C@H]([C@H](C)Nc1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000301216932 427782523 /nfs/dbraw/zinc/78/25/23/427782523.db2.gz ZBFBRXYLMMLSMH-WDEREUQCSA-N 1 2 313.785 2.769 20 5 DFBDLO C[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCOC[C@H]1C ZINC000301267933 427786133 /nfs/dbraw/zinc/78/61/33/427786133.db2.gz WRFFXAPZNFRZCA-GHMZBOCLSA-N 1 2 313.785 2.769 20 5 DFBDLO C[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCOC[C@H]1C ZINC000301267933 427786135 /nfs/dbraw/zinc/78/61/35/427786135.db2.gz WRFFXAPZNFRZCA-GHMZBOCLSA-N 1 2 313.785 2.769 20 5 DFBDLO C[NH+](C)[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000186015136 427740825 /nfs/dbraw/zinc/74/08/25/427740825.db2.gz QSNYQWPTJJHMGU-HNNXBMFYSA-N 1 2 315.329 2.542 20 5 DFBDLO Cc1cn2cc(NC(=O)c3cc([N+](=O)[O-])cnc3C)ccc2[nH+]1 ZINC000339275928 427748412 /nfs/dbraw/zinc/74/84/12/427748412.db2.gz ZALLZTBXURGTQL-UHFFFAOYSA-N 1 2 311.301 2.507 20 5 DFBDLO Cc1cc(N[C@H](C)c2cn[nH]c2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000339706717 427815616 /nfs/dbraw/zinc/81/56/16/427815616.db2.gz XHOVOHQYBQFTHT-LLVKDONJSA-N 1 2 324.344 2.678 20 5 DFBDLO Cc1cc(N[C@H]2CCOC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301765752 427822614 /nfs/dbraw/zinc/82/26/14/427822614.db2.gz GUBCEJOVQCTYBO-LBPRGKRZSA-N 1 2 300.318 2.561 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(N2CC[C@H](Oc3cc[nH+]cc3)C2)c(F)c1 ZINC000301787678 427824669 /nfs/dbraw/zinc/82/46/69/427824669.db2.gz MMGYVXTYUUJLKM-LBPRGKRZSA-N 1 2 321.283 2.926 20 5 DFBDLO CN(C)c1ccc(CN(C)c2ncc(Cl)cc2[N+](=O)[O-])c[nH+]1 ZINC000301810180 427825811 /nfs/dbraw/zinc/82/58/11/427825811.db2.gz BHMCSFKKAINCRK-UHFFFAOYSA-N 1 2 321.768 2.741 20 5 DFBDLO Cc1[nH+]cccc1Cc1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000345646158 427841414 /nfs/dbraw/zinc/84/14/14/427841414.db2.gz KNTPQASFJGZVSW-UHFFFAOYSA-N 1 2 311.301 2.521 20 5 DFBDLO CN(CC1(O)CCCC1)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413203917 427989747 /nfs/dbraw/zinc/98/97/47/427989747.db2.gz NAALUYMLYGGALY-UHFFFAOYSA-N 1 2 301.346 2.884 20 5 DFBDLO C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000355896196 427940008 /nfs/dbraw/zinc/94/00/08/427940008.db2.gz MCPMXBAIJDYFNC-LBPRGKRZSA-N 1 2 307.350 2.503 20 5 DFBDLO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000355896196 427940013 /nfs/dbraw/zinc/94/00/13/427940013.db2.gz MCPMXBAIJDYFNC-LBPRGKRZSA-N 1 2 307.350 2.503 20 5 DFBDLO Cc1cc(NCC[N@@H+]2CCOCC2(C)C)c(F)cc1[N+](=O)[O-] ZINC000359875260 428058293 /nfs/dbraw/zinc/05/82/93/428058293.db2.gz KFOFXAYEUZLFKF-UHFFFAOYSA-N 1 2 311.357 2.565 20 5 DFBDLO Cc1cc(NCC[N@H+]2CCOCC2(C)C)c(F)cc1[N+](=O)[O-] ZINC000359875260 428058300 /nfs/dbraw/zinc/05/83/00/428058300.db2.gz KFOFXAYEUZLFKF-UHFFFAOYSA-N 1 2 311.357 2.565 20 5 DFBDLO COC(=O)[C@H]1CC[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413276167 428009496 /nfs/dbraw/zinc/00/94/96/428009496.db2.gz YHTGCRAFZHQKIS-NWDGAFQWSA-N 1 2 315.329 2.897 20 5 DFBDLO COCc1cc([N+](=O)[O-])ccc1N1CCn2c(C)c(C)[nH+]c2C1 ZINC000369957871 428098131 /nfs/dbraw/zinc/09/81/31/428098131.db2.gz JFYCMULENDFBGB-UHFFFAOYSA-N 1 2 316.361 2.575 20 5 DFBDLO Cc1nnc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1C1CC1 ZINC000352550828 428147374 /nfs/dbraw/zinc/14/73/74/428147374.db2.gz RGGZDGNWGZXJMM-UHFFFAOYSA-N 1 2 315.377 2.504 20 5 DFBDLO Cc1nnc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1C1CC1 ZINC000352550828 428147376 /nfs/dbraw/zinc/14/73/76/428147376.db2.gz RGGZDGNWGZXJMM-UHFFFAOYSA-N 1 2 315.377 2.504 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000341720574 428169341 /nfs/dbraw/zinc/16/93/41/428169341.db2.gz QBAQNZYILIHKSE-AWEZNQCLSA-N 1 2 314.345 2.518 20 5 DFBDLO COc1c(O)cccc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000352694198 428208751 /nfs/dbraw/zinc/20/87/51/428208751.db2.gz UUAVIIJHGMNZPW-UHFFFAOYSA-N 1 2 314.341 2.867 20 5 DFBDLO COc1c(O)cccc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000352694198 428208754 /nfs/dbraw/zinc/20/87/54/428208754.db2.gz UUAVIIJHGMNZPW-UHFFFAOYSA-N 1 2 314.341 2.867 20 5 DFBDLO Cc1ccnc(NCc2[nH+]ccn2CC(F)(F)F)c1[N+](=O)[O-] ZINC000360277870 428233112 /nfs/dbraw/zinc/23/31/12/428233112.db2.gz GDMBHHSRLWEQDV-UHFFFAOYSA-N 1 2 315.255 2.669 20 5 DFBDLO Cc1cc(NCCNc2ccccc2[N+](=O)[O-])nc(C2CC2)[nH+]1 ZINC000346632029 428249299 /nfs/dbraw/zinc/24/92/99/428249299.db2.gz IXYMRORNLNUYRI-UHFFFAOYSA-N 1 2 313.361 3.095 20 5 DFBDLO Cc1ccc2[nH+]c(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)cn2c1 ZINC000342173054 428331816 /nfs/dbraw/zinc/33/18/16/428331816.db2.gz NSBQSVLXLSHLKF-UHFFFAOYSA-N 1 2 324.340 2.789 20 5 DFBDLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000360556003 428346933 /nfs/dbraw/zinc/34/69/33/428346933.db2.gz FGPMLQLXKSQTMR-ABAIWWIYSA-N 1 2 306.362 2.677 20 5 DFBDLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000360556003 428346939 /nfs/dbraw/zinc/34/69/39/428346939.db2.gz FGPMLQLXKSQTMR-ABAIWWIYSA-N 1 2 306.362 2.677 20 5 DFBDLO Cn1cc[nH+]c1[C@H]1CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000371506457 428395869 /nfs/dbraw/zinc/39/58/69/428395869.db2.gz ROQFOZBSJYNADM-CQSZACIVSA-N 1 2 304.325 2.805 20 5 DFBDLO Cc1[nH+]c2n(c1C)CCN(Cc1ccc(C)c([N+](=O)[O-])c1)C2 ZINC000378347686 428370947 /nfs/dbraw/zinc/37/09/47/428370947.db2.gz BFTDFNDGWWODEL-UHFFFAOYSA-N 1 2 300.362 2.732 20 5 DFBDLO Cc1ccn2cc(CNC(=O)c3cccc([N+](=O)[O-])c3C)[nH+]c2c1 ZINC000342267564 428376389 /nfs/dbraw/zinc/37/63/89/428376389.db2.gz XVJGFGKAYVZOMN-UHFFFAOYSA-N 1 2 324.340 2.789 20 5 DFBDLO CC[N@H+](CC(=O)OC)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000353282595 428464757 /nfs/dbraw/zinc/46/47/57/428464757.db2.gz JXYHUVDWQOZELU-UHFFFAOYSA-N 1 2 318.329 2.850 20 5 DFBDLO CC[N@@H+](CC(=O)OC)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000353282595 428464764 /nfs/dbraw/zinc/46/47/64/428464764.db2.gz JXYHUVDWQOZELU-UHFFFAOYSA-N 1 2 318.329 2.850 20 5 DFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000353356462 428500285 /nfs/dbraw/zinc/50/02/85/428500285.db2.gz VOIXNHVOZXUIFA-ZDUSSCGKSA-N 1 2 315.333 2.601 20 5 DFBDLO Nc1c(F)c(NCc2ccn3cc[nH+]c3c2)ccc1[N+](=O)[O-] ZINC000357432025 428533372 /nfs/dbraw/zinc/53/33/72/428533372.db2.gz DHABPAVDVZCJSN-UHFFFAOYSA-N 1 2 301.281 2.576 20 5 DFBDLO COc1cc([C@H](C)[NH2+]Cc2c(F)cccc2[N+](=O)[O-])ccn1 ZINC000347548109 428601454 /nfs/dbraw/zinc/60/14/54/428601454.db2.gz ZBEJTZRMXNQELN-JTQLQIEISA-N 1 2 305.309 2.988 20 5 DFBDLO Cn1ccnc1[C@@H]([NH2+]C1CC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000353587807 428609680 /nfs/dbraw/zinc/60/96/80/428609680.db2.gz IYXHMKVNETXWGR-ZDUSSCGKSA-N 1 2 322.315 2.805 20 5 DFBDLO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000353777537 428709206 /nfs/dbraw/zinc/70/92/06/428709206.db2.gz BKPISIUUXZHVBF-CABCVRRESA-N 1 2 308.378 2.936 20 5 DFBDLO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000353777537 428709208 /nfs/dbraw/zinc/70/92/08/428709208.db2.gz BKPISIUUXZHVBF-CABCVRRESA-N 1 2 308.378 2.936 20 5 DFBDLO Cc1[nH]c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3N)cc2[nH+]1 ZINC000344979201 428732782 /nfs/dbraw/zinc/73/27/82/428732782.db2.gz LLHXFIZNKNPWFV-UHFFFAOYSA-N 1 2 311.301 2.614 20 5 DFBDLO Cc1[nH]c2cc(NC(=O)c3cccc([N+](=O)[O-])c3N)ccc2[nH+]1 ZINC000344979201 428732787 /nfs/dbraw/zinc/73/27/87/428732787.db2.gz LLHXFIZNKNPWFV-UHFFFAOYSA-N 1 2 311.301 2.614 20 5 DFBDLO C[N@H+](Cc1ccoc1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000358801501 428682130 /nfs/dbraw/zinc/68/21/30/428682130.db2.gz RYTBEDWOAFBYIM-UHFFFAOYSA-N 1 2 314.301 2.870 20 5 DFBDLO C[N@@H+](Cc1ccoc1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000358801501 428682133 /nfs/dbraw/zinc/68/21/33/428682133.db2.gz RYTBEDWOAFBYIM-UHFFFAOYSA-N 1 2 314.301 2.870 20 5 DFBDLO CC(=O)c1ccc(N2CCC[C@@H]2c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000374780429 428750185 /nfs/dbraw/zinc/75/01/85/428750185.db2.gz MVTPJAYUFDJELE-CYBMUJFWSA-N 1 2 300.318 2.862 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc[nH+]c2N(C)C)n1 ZINC000359080706 428807715 /nfs/dbraw/zinc/80/77/15/428807715.db2.gz HFVCCNKZNAOOPL-UHFFFAOYSA-N 1 2 301.350 2.680 20 5 DFBDLO Cc1cn2c([nH+]1)[C@@H](CNc1cc(N)ccc1[N+](=O)[O-])CCC2 ZINC000375705336 428948239 /nfs/dbraw/zinc/94/82/39/428948239.db2.gz PXBNAVQHCYNEKS-LLVKDONJSA-N 1 2 301.350 2.671 20 5 DFBDLO CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000412266707 429000966 /nfs/dbraw/zinc/00/09/66/429000966.db2.gz GLSKAKGZTZAGJA-BFHYXJOUSA-N 1 2 314.345 2.689 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCC3CCOCC3)c2c1 ZINC000413132465 429144838 /nfs/dbraw/zinc/14/48/38/429144838.db2.gz BMPGZUQQTAUUIO-UHFFFAOYSA-N 1 2 301.346 3.372 20 5 DFBDLO CC(C)n1cnnc1CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413139507 429147232 /nfs/dbraw/zinc/14/72/32/429147232.db2.gz NOOFBJQDRPXZMN-UHFFFAOYSA-N 1 2 312.333 2.928 20 5 DFBDLO CC(C)COC[C@@H](O)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413067254 429131256 /nfs/dbraw/zinc/13/12/56/429131256.db2.gz WOOPSZHBXGVNPV-AWEZNQCLSA-N 1 2 319.361 2.588 20 5 DFBDLO CN(C)c1ccc(CNc2c3ccccc3ncc2[N+](=O)[O-])c[nH+]1 ZINC000487912006 429172865 /nfs/dbraw/zinc/17/28/65/429172865.db2.gz QIQIBOLPYZQWNL-UHFFFAOYSA-N 1 2 323.356 2.638 20 5 DFBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3cc(F)cc(F)c3)C2)c1 ZINC000364336605 429186411 /nfs/dbraw/zinc/18/64/11/429186411.db2.gz LAHWJIAHIAMONS-AWEZNQCLSA-N 1 2 322.315 2.907 20 5 DFBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3cc(F)cc(F)c3)C2)c1 ZINC000364336605 429186414 /nfs/dbraw/zinc/18/64/14/429186414.db2.gz LAHWJIAHIAMONS-AWEZNQCLSA-N 1 2 322.315 2.907 20 5 DFBDLO CC(C)(C)c1ccc(C(=O)NCc2c[nH+]c[nH]2)cc1[N+](=O)[O-] ZINC000443378111 429246880 /nfs/dbraw/zinc/24/68/80/429246880.db2.gz UNZRNNHOFLGJJO-UHFFFAOYSA-N 1 2 302.334 2.545 20 5 DFBDLO CC(C)(C)c1ccc(C(=O)NCc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000443378111 429246884 /nfs/dbraw/zinc/24/68/84/429246884.db2.gz UNZRNNHOFLGJJO-UHFFFAOYSA-N 1 2 302.334 2.545 20 5 DFBDLO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2[nH+]ccn21 ZINC000456374628 429292412 /nfs/dbraw/zinc/29/24/12/429292412.db2.gz JQRJIGSUMHRNBY-QPUJVOFHSA-N 1 2 320.736 2.881 20 5 DFBDLO CCc1cc(N)nc(SCCOc2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000447784832 429306217 /nfs/dbraw/zinc/30/62/17/429306217.db2.gz FZWUITIEQCXUQN-UHFFFAOYSA-N 1 2 320.374 2.701 20 5 DFBDLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000365403546 429314204 /nfs/dbraw/zinc/31/42/04/429314204.db2.gz NTLPGCLSCMVVOP-UHFFFAOYSA-N 1 2 318.352 2.899 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1c[nH+]c(C)cc1C ZINC000456861585 429358383 /nfs/dbraw/zinc/35/83/83/429358383.db2.gz OQBOTSPNOXHZGL-UHFFFAOYSA-N 1 2 315.329 2.545 20 5 DFBDLO Cc1cc(C)c(CNc2ccc([N+](=O)[O-])c(OC(C)C)n2)c[nH+]1 ZINC000517175528 429386033 /nfs/dbraw/zinc/38/60/33/429386033.db2.gz GPFVOFPDXUZFBR-UHFFFAOYSA-N 1 2 316.361 3.401 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000449573785 429452505 /nfs/dbraw/zinc/45/25/05/429452505.db2.gz SCEXTDSYVMKWLV-RISCZKNCSA-N 1 2 316.361 2.986 20 5 DFBDLO CCN1CCN(c2c(C)cccc2[N+](=O)[O-])C[C@H]1c1[nH]cc[nH+]1 ZINC000366505789 429465670 /nfs/dbraw/zinc/46/56/70/429465670.db2.gz LOOPWVRQEBMLOS-AWEZNQCLSA-N 1 2 315.377 2.510 20 5 DFBDLO CCN1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C(C)(C)C1=O ZINC000428487039 429530636 /nfs/dbraw/zinc/53/06/36/429530636.db2.gz VEIXFEXZYVXFTP-CLFYSBASSA-N 1 2 317.389 2.551 20 5 DFBDLO CCN1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C(C)(C)C1=O ZINC000428487039 429530638 /nfs/dbraw/zinc/53/06/38/429530638.db2.gz VEIXFEXZYVXFTP-CLFYSBASSA-N 1 2 317.389 2.551 20 5 DFBDLO Cc1ccc(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)cc1[N+](=O)[O-] ZINC000366829597 429521722 /nfs/dbraw/zinc/52/17/22/429521722.db2.gz JGAXBMWUGIBTPZ-LLVKDONJSA-N 1 2 300.318 2.685 20 5 DFBDLO Cc1ccoc1C[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000429406084 429608703 /nfs/dbraw/zinc/60/87/03/429608703.db2.gz XGDUTAJBJVQBJZ-UHFFFAOYSA-N 1 2 317.345 2.875 20 5 DFBDLO Cc1ccoc1C[N@@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000429406084 429608707 /nfs/dbraw/zinc/60/87/07/429608707.db2.gz XGDUTAJBJVQBJZ-UHFFFAOYSA-N 1 2 317.345 2.875 20 5 DFBDLO COC(=O)C1([N@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)CCCC1 ZINC000430200481 429660259 /nfs/dbraw/zinc/66/02/59/429660259.db2.gz GWQDCDRUJXCQEA-UHFFFAOYSA-N 1 2 322.361 2.521 20 5 DFBDLO COC(=O)C1([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)CCCC1 ZINC000430200481 429660263 /nfs/dbraw/zinc/66/02/63/429660263.db2.gz GWQDCDRUJXCQEA-UHFFFAOYSA-N 1 2 322.361 2.521 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC(C)=C[C@@H](C)C1 ZINC000430283492 429672587 /nfs/dbraw/zinc/67/25/87/429672587.db2.gz JSDSMHPLSVALSS-LLVKDONJSA-N 1 2 303.362 2.740 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC(C)=C[C@@H](C)C1 ZINC000430283492 429672589 /nfs/dbraw/zinc/67/25/89/429672589.db2.gz JSDSMHPLSVALSS-LLVKDONJSA-N 1 2 303.362 2.740 20 5 DFBDLO C[C@@H]1C[C@@H](Nc2nc3sccn3c2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450836349 429710854 /nfs/dbraw/zinc/71/08/54/429710854.db2.gz YRAVUDHEZVBEFO-HTQZYQBOSA-N 1 2 304.335 2.618 20 5 DFBDLO O=[N+]([O-])c1cccc(Cl)c1NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000367777062 429715124 /nfs/dbraw/zinc/71/51/24/429715124.db2.gz HLWWSNWXAKQABE-LLVKDONJSA-N 1 2 311.769 2.523 20 5 DFBDLO O=[N+]([O-])c1cccc(Cl)c1NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000367777062 429715126 /nfs/dbraw/zinc/71/51/26/429715126.db2.gz HLWWSNWXAKQABE-LLVKDONJSA-N 1 2 311.769 2.523 20 5 DFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000493242869 429719317 /nfs/dbraw/zinc/71/93/17/429719317.db2.gz WAXHVGDHZXWQNM-LZGFCCKTSA-N 1 2 314.345 2.702 20 5 DFBDLO Cc1c[nH]c(C(C)(C)NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000493508736 429776361 /nfs/dbraw/zinc/77/63/61/429776361.db2.gz ATTWGKGGZLGMPH-RMKNXTFCSA-N 1 2 314.345 2.691 20 5 DFBDLO O=c1[nH]ccc2c1C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000494006710 429853485 /nfs/dbraw/zinc/85/34/85/429853485.db2.gz KYNFPSWYZFJZEW-UHFFFAOYSA-N 1 2 319.748 2.907 20 5 DFBDLO O=c1[nH]ccc2c1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000494006710 429853488 /nfs/dbraw/zinc/85/34/88/429853488.db2.gz KYNFPSWYZFJZEW-UHFFFAOYSA-N 1 2 319.748 2.907 20 5 DFBDLO C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000493691088 429810083 /nfs/dbraw/zinc/81/00/83/429810083.db2.gz SDAOSRYJHOIZSD-FKULILBMSA-N 1 2 312.329 2.627 20 5 DFBDLO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H](C)c1cccc(O)c1 ZINC000494580867 429881444 /nfs/dbraw/zinc/88/14/44/429881444.db2.gz SINKDAXKTNAONA-LLVKDONJSA-N 1 2 304.350 2.617 20 5 DFBDLO CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H](C)c1cccc(O)c1 ZINC000494580867 429881446 /nfs/dbraw/zinc/88/14/46/429881446.db2.gz SINKDAXKTNAONA-LLVKDONJSA-N 1 2 304.350 2.617 20 5 DFBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3sc(Cl)cc3C2)n1 ZINC000573603752 429964315 /nfs/dbraw/zinc/96/43/15/429964315.db2.gz PLUFHHYJDVFZQI-UHFFFAOYSA-N 1 2 312.782 2.565 20 5 DFBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3sc(Cl)cc3C2)n1 ZINC000573603752 429964317 /nfs/dbraw/zinc/96/43/17/429964317.db2.gz PLUFHHYJDVFZQI-UHFFFAOYSA-N 1 2 312.782 2.565 20 5 DFBDLO Cc1c[nH+]c(C)nc1NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000580449946 430131035 /nfs/dbraw/zinc/13/10/35/430131035.db2.gz CBMRMRHRRNYPTD-UHFFFAOYSA-N 1 2 311.345 3.138 20 5 DFBDLO Cn1c2ccc(CNc3ccc([N+](=O)[O-])cn3)cc2[nH+]c1C1CC1 ZINC000580329183 430131278 /nfs/dbraw/zinc/13/12/78/430131278.db2.gz OEYNTROJRODNDE-UHFFFAOYSA-N 1 2 323.356 3.366 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC(n4ccnn4)CC3)c2c1 ZINC000581535168 430217888 /nfs/dbraw/zinc/21/78/88/430217888.db2.gz TXODISMWXKNKCU-UHFFFAOYSA-N 1 2 324.344 2.576 20 5 DFBDLO COCCCCNc1ccc(-c2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000600787803 430533615 /nfs/dbraw/zinc/53/36/15/430533615.db2.gz GHALEKBPMJPNPS-UHFFFAOYSA-N 1 2 301.346 3.495 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1CNc1cc[nH+]c(C(C)(C)C)n1 ZINC000610515104 430564841 /nfs/dbraw/zinc/56/48/41/430564841.db2.gz IOLOATUEYBRSFP-UHFFFAOYSA-N 1 2 316.361 3.303 20 5 DFBDLO CCOc1cc(C[N@H+](C)Cc2cnn(CC)c2)ccc1[N+](=O)[O-] ZINC000570996815 430595485 /nfs/dbraw/zinc/59/54/85/430595485.db2.gz VALSMZANGVCXJB-UHFFFAOYSA-N 1 2 318.377 2.842 20 5 DFBDLO CCOc1cc(C[N@@H+](C)Cc2cnn(CC)c2)ccc1[N+](=O)[O-] ZINC000570996815 430595488 /nfs/dbraw/zinc/59/54/88/430595488.db2.gz VALSMZANGVCXJB-UHFFFAOYSA-N 1 2 318.377 2.842 20 5 DFBDLO C[C@@H]1OCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1C ZINC000089909971 278053508 /nfs/dbraw/zinc/05/35/08/278053508.db2.gz OCDFXCLBGAUMJW-RYUDHWBXSA-N 1 2 317.345 2.859 20 5 DFBDLO C[C@@H]1OCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1C ZINC000089909971 278053509 /nfs/dbraw/zinc/05/35/09/278053509.db2.gz OCDFXCLBGAUMJW-RYUDHWBXSA-N 1 2 317.345 2.859 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cs1 ZINC000264647852 280357559 /nfs/dbraw/zinc/35/75/59/280357559.db2.gz ZMHHSXNMALRSSJ-WCBMZHEXSA-N 1 2 310.297 2.544 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cs1 ZINC000264647852 280357563 /nfs/dbraw/zinc/35/75/63/280357563.db2.gz ZMHHSXNMALRSSJ-WCBMZHEXSA-N 1 2 310.297 2.544 20 5 DFBDLO CC[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCN1CC(F)F ZINC000153552118 289051282 /nfs/dbraw/zinc/05/12/82/289051282.db2.gz YRVOXPJAPDWCCF-ZDUSSCGKSA-N 1 2 313.348 2.756 20 5 DFBDLO CC[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCN1CC(F)F ZINC000153552118 289051284 /nfs/dbraw/zinc/05/12/84/289051284.db2.gz YRVOXPJAPDWCCF-ZDUSSCGKSA-N 1 2 313.348 2.756 20 5 DFBDLO COc1cnccc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000438479994 297094975 /nfs/dbraw/zinc/09/49/75/297094975.db2.gz CYEWJVSDJPKHKQ-JTQLQIEISA-N 1 2 305.309 2.988 20 5 DFBDLO CC[C@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1[nH]cc[nH+]1 ZINC000442804228 297207496 /nfs/dbraw/zinc/20/74/96/297207496.db2.gz VWWBITOLEBYECB-ZANVPECISA-N 1 2 320.324 2.828 20 5 DFBDLO O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@H]3c3[nH]cc[nH+]3)nc2c1 ZINC000444683954 297245254 /nfs/dbraw/zinc/24/52/54/297245254.db2.gz GZXXOMAAJFWQJS-ZDUSSCGKSA-N 1 2 312.333 2.531 20 5 DFBDLO C[C@]1(C[NH+]=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCO[C@@H]1C1CC1 ZINC000447675035 297312698 /nfs/dbraw/zinc/31/26/98/297312698.db2.gz JREFGBXDANPYMK-GDBMZVCRSA-N 1 2 316.361 2.510 20 5 DFBDLO CC[C@@H](C)CN(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448950369 297382187 /nfs/dbraw/zinc/38/21/87/297382187.db2.gz MZWYDZNBCQPGAM-GFCCVEGCSA-N 1 2 316.361 2.899 20 5 DFBDLO C[C@@H](CC1CC1)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448963685 297383860 /nfs/dbraw/zinc/38/38/60/297383860.db2.gz BYGBOFCNUWGOFH-NSHDSACASA-N 1 2 314.345 2.699 20 5 DFBDLO COC(=O)c1coc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000450683404 297668465 /nfs/dbraw/zinc/66/84/65/297668465.db2.gz PXWVAAXHJSMVEH-JTQLQIEISA-N 1 2 319.317 2.529 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000454137619 298125099 /nfs/dbraw/zinc/12/50/99/298125099.db2.gz BUWCWDUHGAGKEZ-GWCFXTLKSA-N 1 2 315.333 2.927 20 5 DFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000454320997 298155128 /nfs/dbraw/zinc/15/51/28/298155128.db2.gz IYBYOIGBBGKRJO-SECBINFHSA-N 1 2 321.312 2.833 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000455189244 298315926 /nfs/dbraw/zinc/31/59/26/298315926.db2.gz NLPKQHJJPLGEJG-GXFFZTMASA-N 1 2 315.333 2.927 20 5 DFBDLO C[C@H]1C[C@@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000455328689 298339871 /nfs/dbraw/zinc/33/98/71/298339871.db2.gz IOPALHBWJQLOFV-QPUJVOFHSA-N 1 2 319.296 2.758 20 5 DFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000456351116 298504034 /nfs/dbraw/zinc/50/40/34/298504034.db2.gz KNAKHIVNJGJNKC-LBPRGKRZSA-N 1 2 316.361 2.621 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1cccc(O)c1 ZINC000531143626 301081998 /nfs/dbraw/zinc/08/19/98/301081998.db2.gz BORIEDSAFNWFFF-UHFFFAOYSA-N 1 2 302.330 2.941 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1cccc(O)c1 ZINC000531143626 301082000 /nfs/dbraw/zinc/08/20/00/301082000.db2.gz BORIEDSAFNWFFF-UHFFFAOYSA-N 1 2 302.330 2.941 20 5 DFBDLO CCOc1ccc(C(=O)Nc2cc(C)[nH+]cc2C)cc1[N+](=O)[O-] ZINC000534300201 301225676 /nfs/dbraw/zinc/22/56/76/301225676.db2.gz UFFWSDQBERWNBB-UHFFFAOYSA-N 1 2 315.329 2.680 20 5 DFBDLO CC(C)(NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000535031329 301244090 /nfs/dbraw/zinc/24/40/90/301244090.db2.gz JBIJISKZXFLZBE-UHFFFAOYSA-N 1 2 314.345 2.699 20 5 DFBDLO O=C(Nc1ccc(-c2c[nH]c[nH+]2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000548444014 301590900 /nfs/dbraw/zinc/59/09/00/301590900.db2.gz WYKHHXBUGHZQEU-UHFFFAOYSA-N 1 2 324.296 2.943 20 5 DFBDLO Cc1nsc(C)c1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000564344137 302130512 /nfs/dbraw/zinc/13/05/12/302130512.db2.gz OHDDHGWJIBILBK-UHFFFAOYSA-N 1 2 304.375 2.621 20 5 DFBDLO Cc1nsc(C)c1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000564344137 302130514 /nfs/dbraw/zinc/13/05/14/302130514.db2.gz OHDDHGWJIBILBK-UHFFFAOYSA-N 1 2 304.375 2.621 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000564928550 302174302 /nfs/dbraw/zinc/17/43/02/302174302.db2.gz DSBCWWUPNPBFIS-GFCCVEGCSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000564928550 302174303 /nfs/dbraw/zinc/17/43/03/302174303.db2.gz DSBCWWUPNPBFIS-GFCCVEGCSA-N 1 2 306.362 2.747 20 5 DFBDLO Cc1ccnc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000268297272 302273977 /nfs/dbraw/zinc/27/39/77/302273977.db2.gz WVBWYMCKOHHHBM-AAEUAGOBSA-N 1 2 301.350 2.582 20 5 DFBDLO COCc1nc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cs1 ZINC000566688509 302305098 /nfs/dbraw/zinc/30/50/98/302305098.db2.gz BRASAAISLIGQKB-ZDUSSCGKSA-N 1 2 319.386 2.975 20 5 DFBDLO Cc1csc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000184183539 316160486 /nfs/dbraw/zinc/16/04/86/316160486.db2.gz VXDBWFDSXVMFED-SNVBAGLBSA-N 1 2 320.374 2.649 20 5 DFBDLO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CC(CO)(c2ccccc2)C1 ZINC000414543803 316623237 /nfs/dbraw/zinc/62/32/37/316623237.db2.gz BXXQULSCIQUPRS-VURMDHGXSA-N 1 2 324.380 2.854 20 5 DFBDLO COCCN(C)c1ccc(/C=C\c2ccnc([N+](=O)[O-])c2)c[nH+]1 ZINC000453028554 317156367 /nfs/dbraw/zinc/15/63/67/317156367.db2.gz CVIKVHGAUVZLKL-ARJAWSKDSA-N 1 2 314.345 2.638 20 5 DFBDLO Cc1ccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c(C)[nH+]1 ZINC000531273322 317797231 /nfs/dbraw/zinc/79/72/31/317797231.db2.gz UXHKOWKOSNOXAS-UHFFFAOYSA-N 1 2 315.285 2.588 20 5 DFBDLO CCOc1cc(C[N@@H+]2CCOC[C@H]2C2CCC2)ccc1[N+](=O)[O-] ZINC000575985899 318096392 /nfs/dbraw/zinc/09/63/92/318096392.db2.gz DKGGSNRIMOBRGD-INIZCTEOSA-N 1 2 320.389 2.994 20 5 DFBDLO CCOc1cc(C[N@H+]2CCOC[C@H]2C2CCC2)ccc1[N+](=O)[O-] ZINC000575985899 318096394 /nfs/dbraw/zinc/09/63/94/318096394.db2.gz DKGGSNRIMOBRGD-INIZCTEOSA-N 1 2 320.389 2.994 20 5 DFBDLO O=[N+]([O-])c1cccc2c1CCN(Cc1cccc3[nH+]ccn31)C2 ZINC000577214897 318178599 /nfs/dbraw/zinc/17/85/99/318178599.db2.gz BCXWQQBSYATXMZ-UHFFFAOYSA-N 1 2 308.341 2.801 20 5 DFBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1cccc3nccn31)C2 ZINC000577214897 318178602 /nfs/dbraw/zinc/17/86/02/318178602.db2.gz BCXWQQBSYATXMZ-UHFFFAOYSA-N 1 2 308.341 2.801 20 5 DFBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1cccc3nccn31)C2 ZINC000577214897 318178605 /nfs/dbraw/zinc/17/86/05/318178605.db2.gz BCXWQQBSYATXMZ-UHFFFAOYSA-N 1 2 308.341 2.801 20 5 DFBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000361210859 535772011 /nfs/dbraw/zinc/77/20/11/535772011.db2.gz MQDCAVABXOKMPV-ZDUSSCGKSA-N 1 2 316.361 2.545 20 5 DFBDLO COC(=O)Cc1cc[nH+]c(NCc2cccc([N+](=O)[O-])c2C)c1 ZINC000596208699 398357723 /nfs/dbraw/zinc/35/77/23/398357723.db2.gz VTGQRVXNNSLYGX-UHFFFAOYSA-N 1 2 315.329 2.626 20 5 DFBDLO O=[N+]([O-])c1cncc(Cl)c1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000596214082 398358512 /nfs/dbraw/zinc/35/85/12/398358512.db2.gz DEFGAINEXDLMLH-LLVKDONJSA-N 1 2 320.736 2.696 20 5 DFBDLO C[C@H](CC[S@](C)=O)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413167628 295682506 /nfs/dbraw/zinc/68/25/06/295682506.db2.gz LVPXRMVXDUNMMF-UZJPJQLHSA-N 1 2 307.375 2.712 20 5 DFBDLO C[C@](O)(CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000413216250 295687218 /nfs/dbraw/zinc/68/72/18/295687218.db2.gz QWYZBJNKWRSRGV-LBPRGKRZSA-N 1 2 315.251 2.868 20 5 DFBDLO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090224345 185287485 /nfs/dbraw/zinc/28/74/85/185287485.db2.gz PVMJWYGAHBICCK-YGRLFVJLSA-N 1 2 301.350 2.680 20 5 DFBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCO[C@@H]4CCCC[C@@H]43)nc2c1 ZINC000083169305 398383867 /nfs/dbraw/zinc/38/38/67/398383867.db2.gz KWMFEPOASGAVDD-DZGCQCFKSA-N 1 2 317.345 2.879 20 5 DFBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCO[C@@H]4CCCC[C@@H]43)nc2c1 ZINC000083169305 398383870 /nfs/dbraw/zinc/38/38/70/398383870.db2.gz KWMFEPOASGAVDD-DZGCQCFKSA-N 1 2 317.345 2.879 20 5 DFBDLO C[C@H]1CC2(C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-])CCOCC2 ZINC000592184616 398399198 /nfs/dbraw/zinc/39/91/98/398399198.db2.gz QHKICKKYBDXESU-LBPRGKRZSA-N 1 2 306.362 2.691 20 5 DFBDLO C[C@H]1CC2(C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-])CCOCC2 ZINC000592184616 398399200 /nfs/dbraw/zinc/39/92/00/398399200.db2.gz QHKICKKYBDXESU-LBPRGKRZSA-N 1 2 306.362 2.691 20 5 DFBDLO O=[N+]([O-])c1cnccc1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000066809482 398400208 /nfs/dbraw/zinc/40/02/08/398400208.db2.gz WIGKQLYTMLKUNG-UHFFFAOYSA-N 1 2 313.361 2.987 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCCO[C@H](CF)C3)c2c1 ZINC000413485405 295712842 /nfs/dbraw/zinc/71/28/42/295712842.db2.gz UGHPQOQRSPTBKJ-CYBMUJFWSA-N 1 2 305.309 2.708 20 5 DFBDLO C[C@@H](Nc1nc2c(cc1[N+](=O)[O-])CCCC2)c1[nH+]ccn1C ZINC000596541367 398442824 /nfs/dbraw/zinc/44/28/24/398442824.db2.gz FOSVANXLDTWYBT-SNVBAGLBSA-N 1 2 301.350 2.775 20 5 DFBDLO C[C@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@@]1(C)CO ZINC000596545030 398443843 /nfs/dbraw/zinc/44/38/43/398443843.db2.gz RFWXWPGEOXUINZ-ZBEGNZNMSA-N 1 2 301.346 2.598 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000596633913 398466332 /nfs/dbraw/zinc/46/63/32/398466332.db2.gz RUSPRYBAQKQGMP-GFCCVEGCSA-N 1 2 314.345 2.609 20 5 DFBDLO CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000592781079 398484223 /nfs/dbraw/zinc/48/42/23/398484223.db2.gz VTOADQNRRKUSGI-SNVBAGLBSA-N 1 2 318.333 2.649 20 5 DFBDLO CC[N@H+](CCCNc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000029853496 398493219 /nfs/dbraw/zinc/49/32/19/398493219.db2.gz HTFLNAZMGQTBLE-UHFFFAOYSA-N 1 2 303.366 2.657 20 5 DFBDLO CC[N@@H+](CCCNc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000029853496 398493222 /nfs/dbraw/zinc/49/32/22/398493222.db2.gz HTFLNAZMGQTBLE-UHFFFAOYSA-N 1 2 303.366 2.657 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000596787386 398501115 /nfs/dbraw/zinc/50/11/15/398501115.db2.gz GWBCIBTZNCBXRW-NSHDSACASA-N 1 2 317.349 2.828 20 5 DFBDLO CCc1nc(N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc(C)[nH+]1 ZINC000286795455 219170760 /nfs/dbraw/zinc/17/07/60/219170760.db2.gz WADLKMCGYBZNHL-UHFFFAOYSA-N 1 2 314.345 2.523 20 5 DFBDLO Cc1cccc2[nH+]c(CNC(=O)c3cccc([N+](=O)[O-])c3C)cn21 ZINC000068570069 398513517 /nfs/dbraw/zinc/51/35/17/398513517.db2.gz LUPYUOBPEFPJIZ-UHFFFAOYSA-N 1 2 324.340 2.789 20 5 DFBDLO C[C@@H]([NH2+]Cc1cc2n(n1)CCCC2)c1ccccc1[N+](=O)[O-] ZINC000593020216 398522323 /nfs/dbraw/zinc/52/23/23/398522323.db2.gz CZQUYUKYZWMCGW-GFCCVEGCSA-N 1 2 300.362 2.978 20 5 DFBDLO Cc1c(NC(=O)Cc2cn3ccccc3[nH+]2)cccc1[N+](=O)[O-] ZINC000032060249 398525740 /nfs/dbraw/zinc/52/57/40/398525740.db2.gz ZOKFGQVLICHLMG-UHFFFAOYSA-N 1 2 310.313 2.732 20 5 DFBDLO CCOC(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)o1 ZINC000589196305 398535980 /nfs/dbraw/zinc/53/59/80/398535980.db2.gz AMBYBPWTWNYDGF-UHFFFAOYSA-N 1 2 322.292 2.793 20 5 DFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC(OCC(F)F)C1 ZINC000459597844 299144711 /nfs/dbraw/zinc/14/47/11/299144711.db2.gz VWOPGBSLOPUDNO-WZUFQYTHSA-N 1 2 312.316 2.964 20 5 DFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC(OCC(F)F)C1 ZINC000459597842 299144952 /nfs/dbraw/zinc/14/49/52/299144952.db2.gz VWOPGBSLOPUDNO-VZUCSPMQSA-N 1 2 312.316 2.964 20 5 DFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@@]4(CC4(F)F)C3)nc2c1 ZINC000593118386 398550780 /nfs/dbraw/zinc/55/07/80/398550780.db2.gz QVQXFFIKQYHYIA-CYBMUJFWSA-N 1 2 308.288 2.702 20 5 DFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@@]4(CC4(F)F)C3)nc2c1 ZINC000593118386 398550786 /nfs/dbraw/zinc/55/07/86/398550786.db2.gz QVQXFFIKQYHYIA-CYBMUJFWSA-N 1 2 308.288 2.702 20 5 DFBDLO COc1cc(C[NH2+]Cc2ccc(C)c(C)n2)c([N+](=O)[O-])cc1O ZINC000459669615 299160349 /nfs/dbraw/zinc/16/03/49/299160349.db2.gz NUKQXHSFFLYJLM-UHFFFAOYSA-N 1 2 317.345 2.611 20 5 DFBDLO COc1cc(F)c([N+](=O)[O-])c(NC[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000092612554 398587347 /nfs/dbraw/zinc/58/73/47/398587347.db2.gz KLMLXXBACJKWES-SNVBAGLBSA-N 1 2 308.313 2.687 20 5 DFBDLO CCn1c[nH+]cc1[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000589954353 398586039 /nfs/dbraw/zinc/58/60/39/398586039.db2.gz ZMTMWTVGXHANAM-ZDUSSCGKSA-N 1 2 317.349 2.507 20 5 DFBDLO CC[C@H](NC(=O)C[NH+]1CC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000590441001 398622644 /nfs/dbraw/zinc/62/26/44/398622644.db2.gz HXUNTOBAZTVAOY-AWEZNQCLSA-N 1 2 305.378 2.504 20 5 DFBDLO CC(C)c1ccc(C(=O)N2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000590552087 398631152 /nfs/dbraw/zinc/63/11/52/398631152.db2.gz GHFPVNJQPLWGKF-UHFFFAOYSA-N 1 2 314.345 2.640 20 5 DFBDLO CC(C)c1ccc(C(=O)N2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000590552087 398631156 /nfs/dbraw/zinc/63/11/56/398631156.db2.gz GHFPVNJQPLWGKF-UHFFFAOYSA-N 1 2 314.345 2.640 20 5 DFBDLO Cc1[nH+]c2n(c1C)CCN(c1nccc3c1cccc3[N+](=O)[O-])C2 ZINC000590687643 398651909 /nfs/dbraw/zinc/65/19/09/398651909.db2.gz SXSUOQHNJQRMBQ-UHFFFAOYSA-N 1 2 323.356 2.977 20 5 DFBDLO CCn1cc[nH+]c1[C@H](C)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000590723790 398658740 /nfs/dbraw/zinc/65/87/40/398658740.db2.gz RHJIAJZVHWDMSJ-JTQLQIEISA-N 1 2 312.333 2.928 20 5 DFBDLO CC1(C)[C@@H]2C[N@@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000172959037 198170551 /nfs/dbraw/zinc/17/05/51/198170551.db2.gz UHBJSYQIGYWFNY-PHIMTYICSA-N 1 2 323.780 2.775 20 5 DFBDLO CC1(C)[C@@H]2C[N@H+](CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000172959037 198170552 /nfs/dbraw/zinc/17/05/52/198170552.db2.gz UHBJSYQIGYWFNY-PHIMTYICSA-N 1 2 323.780 2.775 20 5 DFBDLO CC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000598234655 398776383 /nfs/dbraw/zinc/77/63/83/398776383.db2.gz WFGIDNFKGCOTDL-ZDUSSCGKSA-N 1 2 314.345 2.699 20 5 DFBDLO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCCO1 ZINC000179401897 199029083 /nfs/dbraw/zinc/02/90/83/199029083.db2.gz GGKKQFNKGFVMGB-JTQLQIEISA-N 1 2 316.304 2.807 20 5 DFBDLO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCCO1 ZINC000179401897 199029085 /nfs/dbraw/zinc/02/90/85/199029085.db2.gz GGKKQFNKGFVMGB-JTQLQIEISA-N 1 2 316.304 2.807 20 5 DFBDLO C[C@H]([NH2+][C@@H](C)c1cscn1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000594709129 398846528 /nfs/dbraw/zinc/84/65/28/398846528.db2.gz CJDASXNFBIHYCB-UWVGGRQHSA-N 1 2 320.374 2.729 20 5 DFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180294051 199142256 /nfs/dbraw/zinc/14/22/56/199142256.db2.gz GSFWUXMYKRJDKR-BETUJISGSA-N 1 2 308.378 2.991 20 5 DFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180294051 199142258 /nfs/dbraw/zinc/14/22/58/199142258.db2.gz GSFWUXMYKRJDKR-BETUJISGSA-N 1 2 308.378 2.991 20 5 DFBDLO COc1cc(NCCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000180409404 199155697 /nfs/dbraw/zinc/15/56/97/199155697.db2.gz RYRLCOBPWPXNBI-UHFFFAOYSA-N 1 2 302.334 2.913 20 5 DFBDLO O=[N+]([O-])c1cccc2c1CCN(Cc1cn3ccccc3[nH+]1)C2 ZINC000153142715 283354252 /nfs/dbraw/zinc/35/42/52/283354252.db2.gz BNMQJAODZFCXLB-UHFFFAOYSA-N 1 2 308.341 2.801 20 5 DFBDLO C[C@H]([NH2+]Cc1nnc2n1CCCCC2)c1cccc([N+](=O)[O-])c1 ZINC000180556278 199175703 /nfs/dbraw/zinc/17/57/03/199175703.db2.gz CJCSVIDUJYDAAN-LBPRGKRZSA-N 1 2 315.377 2.764 20 5 DFBDLO CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153192426 283357214 /nfs/dbraw/zinc/35/72/14/283357214.db2.gz GVMOYMJGKQFFFN-LBPRGKRZSA-N 1 2 319.405 2.646 20 5 DFBDLO CCC(CC)NC(=O)[C@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153192426 283357217 /nfs/dbraw/zinc/35/72/17/283357217.db2.gz GVMOYMJGKQFFFN-LBPRGKRZSA-N 1 2 319.405 2.646 20 5 DFBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2cnc(C(F)(F)F)nc2)cs1 ZINC000594949649 398879771 /nfs/dbraw/zinc/87/97/71/398879771.db2.gz GCNUIJMVPZTIML-UHFFFAOYSA-N 1 2 318.280 2.755 20 5 DFBDLO CC[C@@H](CCO)Nc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000077232204 398891559 /nfs/dbraw/zinc/89/15/59/398891559.db2.gz MQEQGNPUHBBTCJ-ZDUSSCGKSA-N 1 2 316.361 2.933 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000595054133 398898123 /nfs/dbraw/zinc/89/81/23/398898123.db2.gz XROPSWYYZFCCTM-MNOVXSKESA-N 1 2 304.350 2.749 20 5 DFBDLO CCC[C@H]1C(=O)NCC[N@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470179658 299293014 /nfs/dbraw/zinc/29/30/14/299293014.db2.gz ARATZHBYKLZFCW-DDKJEQMHSA-N 1 2 317.389 2.599 20 5 DFBDLO CCC[C@H]1C(=O)NCC[N@@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470179658 299293015 /nfs/dbraw/zinc/29/30/15/299293015.db2.gz ARATZHBYKLZFCW-DDKJEQMHSA-N 1 2 317.389 2.599 20 5 DFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2nccs2)CC1 ZINC000054635340 398905947 /nfs/dbraw/zinc/90/59/47/398905947.db2.gz QJGDTGJXUWVDRK-GFCCVEGCSA-N 1 2 318.402 2.935 20 5 DFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC(CCO)CC1 ZINC000599038987 398911176 /nfs/dbraw/zinc/91/11/76/398911176.db2.gz FDDJEQAOTZFNSV-UHFFFAOYSA-N 1 2 301.346 2.742 20 5 DFBDLO CC(C)(C)NC(=O)CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599041870 398911424 /nfs/dbraw/zinc/91/14/24/398911424.db2.gz XJIOMHCRIWUYTR-UHFFFAOYSA-N 1 2 316.361 2.860 20 5 DFBDLO O=[N+]([O-])c1c(NCC[C@@H](O)C(F)(F)F)ccc2c[nH+]ccc21 ZINC000599043908 398911987 /nfs/dbraw/zinc/91/19/87/398911987.db2.gz ONWWYNXXADTANE-LLVKDONJSA-N 1 2 315.251 2.868 20 5 DFBDLO CS[C@@H](CO)[C@H](C)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599045631 398912541 /nfs/dbraw/zinc/91/25/41/398912541.db2.gz CLROSRPEPHSQFW-ZANVPECISA-N 1 2 307.375 2.667 20 5 DFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC(OCC(F)F)C1 ZINC000599059717 398915082 /nfs/dbraw/zinc/91/50/82/398915082.db2.gz CJOBOJQAZIYULL-UHFFFAOYSA-N 1 2 309.272 2.613 20 5 DFBDLO CCO[C@@H]1C[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])[C@H]1OC ZINC000599065887 398915584 /nfs/dbraw/zinc/91/55/84/398915584.db2.gz LRSKILAEIKITDL-SQWLQELKSA-N 1 2 317.345 2.747 20 5 DFBDLO O=[N+]([O-])c1cc(F)ccc1CN1CC[NH+](Cc2ccco2)CC1 ZINC000595288652 398915892 /nfs/dbraw/zinc/91/58/92/398915892.db2.gz RACFBAIEXXDVSD-UHFFFAOYSA-N 1 2 319.336 2.645 20 5 DFBDLO Cc1[nH+]c2n(c1C)CCN(Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000595304800 398920460 /nfs/dbraw/zinc/92/04/60/398920460.db2.gz OGQANQUOGDDUFM-UHFFFAOYSA-N 1 2 304.325 2.563 20 5 DFBDLO CC(C)c1ccc(C(=O)NCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000188886069 200317186 /nfs/dbraw/zinc/31/71/86/200317186.db2.gz CHWQWJSDSPDOGR-UHFFFAOYSA-N 1 2 316.361 2.735 20 5 DFBDLO Cc1noc(C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)c1[N+](=O)[O-] ZINC000595410850 398933372 /nfs/dbraw/zinc/93/33/72/398933372.db2.gz XDONPOZZFOAJPF-VIFPVBQESA-N 1 2 319.317 2.513 20 5 DFBDLO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000595468486 398945272 /nfs/dbraw/zinc/94/52/72/398945272.db2.gz RQZMJGOUQYOPAE-HSMVNMDESA-N 1 2 324.352 2.502 20 5 DFBDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000595468486 398945273 /nfs/dbraw/zinc/94/52/73/398945273.db2.gz RQZMJGOUQYOPAE-HSMVNMDESA-N 1 2 324.352 2.502 20 5 DFBDLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000595468305 398945332 /nfs/dbraw/zinc/94/53/32/398945332.db2.gz XTQOCJQPDYDUBP-WBMJQRKESA-N 1 2 324.352 2.504 20 5 DFBDLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000595468305 398945333 /nfs/dbraw/zinc/94/53/33/398945333.db2.gz XTQOCJQPDYDUBP-WBMJQRKESA-N 1 2 324.352 2.504 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595618900 399004762 /nfs/dbraw/zinc/00/47/62/399004762.db2.gz VFWWNUXKUBEEJQ-INIZCTEOSA-N 1 2 306.362 2.604 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595618900 399004763 /nfs/dbraw/zinc/00/47/63/399004763.db2.gz VFWWNUXKUBEEJQ-INIZCTEOSA-N 1 2 306.362 2.604 20 5 DFBDLO COc1cc(C[N@@H+]2CCO[C@@](C)(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000595627426 399009284 /nfs/dbraw/zinc/00/92/84/399009284.db2.gz YSSIUIVLYBYICP-MRXNPFEDSA-N 1 2 306.362 2.604 20 5 DFBDLO COc1cc(C[N@H+]2CCO[C@@](C)(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000595627426 399009290 /nfs/dbraw/zinc/00/92/90/399009290.db2.gz YSSIUIVLYBYICP-MRXNPFEDSA-N 1 2 306.362 2.604 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)c1cscn1 ZINC000595669590 399028097 /nfs/dbraw/zinc/02/80/97/399028097.db2.gz WWLFGLIMQGBYFE-JTQLQIEISA-N 1 2 320.374 2.649 20 5 DFBDLO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCc1ccn2cc[nH+]c2c1 ZINC000255275615 283865071 /nfs/dbraw/zinc/86/50/71/283865071.db2.gz YNTWXNNLEPLQII-UTCJRWHESA-N 1 2 322.324 2.572 20 5 DFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N(C1CC1)C1CC1 ZINC000600359903 399037090 /nfs/dbraw/zinc/03/70/90/399037090.db2.gz NRNQCGIHOCVMQW-UHFFFAOYSA-N 1 2 312.329 2.548 20 5 DFBDLO CCCn1c(C)nnc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271787417 209215970 /nfs/dbraw/zinc/21/59/70/209215970.db2.gz UBUIJTBOLRFWLM-LLVKDONJSA-N 1 2 303.366 2.756 20 5 DFBDLO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299542693 284026525 /nfs/dbraw/zinc/02/65/25/284026525.db2.gz PGKXGYVKXQYYFM-UHFFFAOYSA-N 1 2 315.333 2.729 20 5 DFBDLO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000275142654 212147691 /nfs/dbraw/zinc/14/76/91/212147691.db2.gz QIWOFVLWHDKNAX-CYBMUJFWSA-N 1 2 319.361 2.646 20 5 DFBDLO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000275142654 212147693 /nfs/dbraw/zinc/14/76/93/212147693.db2.gz QIWOFVLWHDKNAX-CYBMUJFWSA-N 1 2 319.361 2.646 20 5 DFBDLO COCc1nc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cs1 ZINC000338375373 284105051 /nfs/dbraw/zinc/10/50/51/284105051.db2.gz DPQKKYIFUQRBCO-UHFFFAOYSA-N 1 2 321.402 2.872 20 5 DFBDLO COCc1nc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cs1 ZINC000338375373 284105054 /nfs/dbraw/zinc/10/50/54/284105054.db2.gz DPQKKYIFUQRBCO-UHFFFAOYSA-N 1 2 321.402 2.872 20 5 DFBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1(O)CCCCCC1 ZINC000339100210 284137051 /nfs/dbraw/zinc/13/70/51/284137051.db2.gz WDTMXVBNOGRTHN-UHFFFAOYSA-N 1 2 308.378 2.818 20 5 DFBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1(O)CCCCCC1 ZINC000339100210 284137053 /nfs/dbraw/zinc/13/70/53/284137053.db2.gz WDTMXVBNOGRTHN-UHFFFAOYSA-N 1 2 308.378 2.818 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)cs1 ZINC000340196265 284158524 /nfs/dbraw/zinc/15/85/24/284158524.db2.gz BFTBVIDNRHFBKJ-GXSJLCMTSA-N 1 2 324.324 2.934 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@H]2[C@@H](O)C(F)(F)F)cs1 ZINC000340196265 284158526 /nfs/dbraw/zinc/15/85/26/284158526.db2.gz BFTBVIDNRHFBKJ-GXSJLCMTSA-N 1 2 324.324 2.934 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)cs1 ZINC000340196266 284158624 /nfs/dbraw/zinc/15/86/24/284158624.db2.gz BFTBVIDNRHFBKJ-KOLCDFICSA-N 1 2 324.324 2.934 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@@H]2[C@H](O)C(F)(F)F)cs1 ZINC000340196266 284158625 /nfs/dbraw/zinc/15/86/25/284158625.db2.gz BFTBVIDNRHFBKJ-KOLCDFICSA-N 1 2 324.324 2.934 20 5 DFBDLO Cn1ccnc1[C@H]([NH2+][C@H]1CCC[C@@H]1F)c1ccc([N+](=O)[O-])cc1 ZINC000340521895 284186807 /nfs/dbraw/zinc/18/68/07/284186807.db2.gz GPXKMAUINLYESC-SOUVJXGZSA-N 1 2 318.352 2.898 20 5 DFBDLO O=[N+]([O-])c1ccc(NCc2ccccc2Cn2cc[nH+]c2)nc1 ZINC000060446094 399131992 /nfs/dbraw/zinc/13/19/92/399131992.db2.gz ARQZDKSFBMWURB-UHFFFAOYSA-N 1 2 309.329 2.847 20 5 DFBDLO CCc1c[nH+]ccc1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000265043345 204361953 /nfs/dbraw/zinc/36/19/53/204361953.db2.gz WVRBDTVJAVOOBX-UHFFFAOYSA-N 1 2 314.345 2.993 20 5 DFBDLO COc1cc(NCc2ccc[nH+]c2N(C)C)c([N+](=O)[O-])cc1C ZINC000596074333 399163549 /nfs/dbraw/zinc/16/35/49/399163549.db2.gz RBCUJUMIJRBLBP-UHFFFAOYSA-N 1 2 316.361 2.985 20 5 DFBDLO Cc1cc(Oc2cc(-n3cc[nH+]c3)ncn2)c(F)cc1[N+](=O)[O-] ZINC000614149739 399164829 /nfs/dbraw/zinc/16/48/29/399164829.db2.gz WVYUGYFEDJLRTE-UHFFFAOYSA-N 1 2 315.264 2.810 20 5 DFBDLO Cc1cc(N[C@@H]2[C@@H]3CCC[C@@H]32)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000486501880 299427165 /nfs/dbraw/zinc/42/71/65/299427165.db2.gz XOERAJCXGKWTFQ-MIFYACCESA-N 1 2 310.357 2.993 20 5 DFBDLO C[C@H]1C[N@H+](CCNc2ccc(C(F)F)cc2[N+](=O)[O-])CCO1 ZINC000596102346 399174307 /nfs/dbraw/zinc/17/43/07/399174307.db2.gz SAKYWNUAKXBAMD-JTQLQIEISA-N 1 2 315.320 2.665 20 5 DFBDLO C[C@H]1C[N@@H+](CCNc2ccc(C(F)F)cc2[N+](=O)[O-])CCO1 ZINC000596102346 399174310 /nfs/dbraw/zinc/17/43/10/399174310.db2.gz SAKYWNUAKXBAMD-JTQLQIEISA-N 1 2 315.320 2.665 20 5 DFBDLO O=C(NC1CCCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000016025674 182029652 /nfs/dbraw/zinc/02/96/52/182029652.db2.gz LTLMOBLDIAIRRB-UHFFFAOYSA-N 1 2 314.345 2.843 20 5 DFBDLO C[C@@H]1C[C@@H](CO)CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000420623261 296193338 /nfs/dbraw/zinc/19/33/38/296193338.db2.gz JPUFWTNEFCWSSF-VXGBXAGGSA-N 1 2 301.346 2.598 20 5 DFBDLO CON1CCC(Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000420632192 296194336 /nfs/dbraw/zinc/19/43/36/296194336.db2.gz HQCUIWXDNHPWIA-UHFFFAOYSA-N 1 2 302.334 2.581 20 5 DFBDLO Cn1ncc(Cl)c1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282995226 217375248 /nfs/dbraw/zinc/37/52/48/217375248.db2.gz KHXAHALSFZHTGI-UHFFFAOYSA-N 1 2 308.769 2.656 20 5 DFBDLO Cn1ncc(Cl)c1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282995226 217375251 /nfs/dbraw/zinc/37/52/51/217375251.db2.gz KHXAHALSFZHTGI-UHFFFAOYSA-N 1 2 308.769 2.656 20 5 DFBDLO Cc1c(CC(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)cccc1[N+](=O)[O-] ZINC000283016816 217389512 /nfs/dbraw/zinc/38/95/12/217389512.db2.gz NIAMIECCJBWOPB-OAHLLOKOSA-N 1 2 316.361 2.682 20 5 DFBDLO Cc1cc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)cc(C)[nH+]1 ZINC000420791132 296202429 /nfs/dbraw/zinc/20/24/29/296202429.db2.gz ZYAPFDXMFBAQDL-UHFFFAOYSA-N 1 2 314.345 2.606 20 5 DFBDLO CC(C)c1[nH+]c2c(n1C)CCN(c1ncc(F)cc1[N+](=O)[O-])C2 ZINC000601113009 399231415 /nfs/dbraw/zinc/23/14/15/399231415.db2.gz JIOZXSUESXJTOB-UHFFFAOYSA-N 1 2 319.340 2.549 20 5 DFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@]12CCOC2 ZINC000421030120 296228519 /nfs/dbraw/zinc/22/85/19/296228519.db2.gz YJWDDSLXYZIYMI-MRXNPFEDSA-N 1 2 306.362 2.747 20 5 DFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@]12CCOC2 ZINC000421030120 296228521 /nfs/dbraw/zinc/22/85/21/296228521.db2.gz YJWDDSLXYZIYMI-MRXNPFEDSA-N 1 2 306.362 2.747 20 5 DFBDLO O=c1c2ccccc2n(Cc2c[nH+]c3ccccn23)cc1[N+](=O)[O-] ZINC000487902711 299484181 /nfs/dbraw/zinc/48/41/81/299484181.db2.gz ZTKUXNNLVRDLSZ-UHFFFAOYSA-N 1 2 320.308 2.606 20 5 DFBDLO CN(C)c1ccc(Nc2c3ccccc3ncc2[N+](=O)[O-])c[nH+]1 ZINC000487924605 299485763 /nfs/dbraw/zinc/48/57/63/299485763.db2.gz VNLILUQAYMZLHJ-UHFFFAOYSA-N 1 2 309.329 2.770 20 5 DFBDLO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2n[nH]c3ccccc32)cc1 ZINC000609466577 399319309 /nfs/dbraw/zinc/31/93/09/399319309.db2.gz OCNGJMWJLNBWIM-UHFFFAOYSA-N 1 2 312.329 2.640 20 5 DFBDLO C[C@@H](c1cccnc1)[NH+]1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000609631167 399327911 /nfs/dbraw/zinc/32/79/11/399327911.db2.gz SQPAWKBBEMCJLC-LBPRGKRZSA-N 1 2 318.402 2.935 20 5 DFBDLO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000609876064 399334870 /nfs/dbraw/zinc/33/48/70/399334870.db2.gz QDMRAIVYTMQXLF-UHFFFAOYSA-N 1 2 311.301 2.576 20 5 DFBDLO CC[N@@H+](Cc1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1)C1CC1 ZINC000273995029 211253302 /nfs/dbraw/zinc/25/33/02/211253302.db2.gz QQXAPCILTZYVOT-UHFFFAOYSA-N 1 2 316.361 2.861 20 5 DFBDLO CC[N@H+](Cc1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1)C1CC1 ZINC000273995029 211253299 /nfs/dbraw/zinc/25/32/99/211253299.db2.gz QQXAPCILTZYVOT-UHFFFAOYSA-N 1 2 316.361 2.861 20 5 DFBDLO CCn1nc(C)c([N+](=O)[O-])c1NCC[NH+]1Cc2ccccc2C1 ZINC000619478644 399352143 /nfs/dbraw/zinc/35/21/43/399352143.db2.gz GIAUFBKPFXYDKZ-UHFFFAOYSA-N 1 2 315.377 2.547 20 5 DFBDLO COc1cc2c(nn1)CC[N@@H+]([C@@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000610368747 399361398 /nfs/dbraw/zinc/36/13/98/399361398.db2.gz IMUGGFOHLHGMGN-NSHDSACASA-N 1 2 314.345 2.513 20 5 DFBDLO COc1cc2c(nn1)CC[N@H+]([C@@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000610368747 399361401 /nfs/dbraw/zinc/36/14/01/399361401.db2.gz IMUGGFOHLHGMGN-NSHDSACASA-N 1 2 314.345 2.513 20 5 DFBDLO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C(F)(F)F)O1 ZINC000610410531 399364865 /nfs/dbraw/zinc/36/48/65/399364865.db2.gz XDEIMOYHXNQFLM-MFKMUULPSA-N 1 2 318.295 2.789 20 5 DFBDLO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C(F)(F)F)O1 ZINC000610410531 399364869 /nfs/dbraw/zinc/36/48/69/399364869.db2.gz XDEIMOYHXNQFLM-MFKMUULPSA-N 1 2 318.295 2.789 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@H](C(F)F)CC2)c(F)c1 ZINC000601974916 399372356 /nfs/dbraw/zinc/37/23/56/399372356.db2.gz XIPJWPRFCFTUCE-GFCCVEGCSA-N 1 2 304.268 2.590 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@H](C(F)F)CC2)c(F)c1 ZINC000601974916 399372359 /nfs/dbraw/zinc/37/23/59/399372359.db2.gz XIPJWPRFCFTUCE-GFCCVEGCSA-N 1 2 304.268 2.590 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000619715620 399381756 /nfs/dbraw/zinc/38/17/56/399381756.db2.gz OTDKBUCJLXONJE-HNNXBMFYSA-N 1 2 306.362 2.739 20 5 DFBDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581279 399382323 /nfs/dbraw/zinc/38/23/23/399382323.db2.gz XMXWMMCCKNNMML-QWRGUYRKSA-N 1 2 305.334 2.735 20 5 DFBDLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581279 399382327 /nfs/dbraw/zinc/38/23/27/399382327.db2.gz XMXWMMCCKNNMML-QWRGUYRKSA-N 1 2 305.334 2.735 20 5 DFBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCO[C@H]4CCCC[C@H]43)nc2c1 ZINC000610580950 399382896 /nfs/dbraw/zinc/38/28/96/399382896.db2.gz KWMFEPOASGAVDD-HIFRSBDPSA-N 1 2 317.345 2.879 20 5 DFBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCO[C@H]4CCCC[C@H]43)nc2c1 ZINC000610580950 399382899 /nfs/dbraw/zinc/38/28/99/399382899.db2.gz KWMFEPOASGAVDD-HIFRSBDPSA-N 1 2 317.345 2.879 20 5 DFBDLO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1nncn1C ZINC000285262654 218357151 /nfs/dbraw/zinc/35/71/51/218357151.db2.gz DBRKDOYHLXAYLT-ZDUSSCGKSA-N 1 2 323.784 2.864 20 5 DFBDLO CN(CC1CCC1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000110469688 194331909 /nfs/dbraw/zinc/33/19/09/194331909.db2.gz IKRXVZWXFHKLMA-UHFFFAOYSA-N 1 2 314.345 2.653 20 5 DFBDLO COc1cc(N2CCC[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1F ZINC000610715385 399396433 /nfs/dbraw/zinc/39/64/33/399396433.db2.gz HBQIAASWGVMASM-LLVKDONJSA-N 1 2 320.324 2.781 20 5 DFBDLO COc1cc(N2CCC[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])cc1F ZINC000610715386 399396999 /nfs/dbraw/zinc/39/69/99/399396999.db2.gz HBQIAASWGVMASM-NSHDSACASA-N 1 2 320.324 2.781 20 5 DFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)s1 ZINC000610785241 399406273 /nfs/dbraw/zinc/40/62/73/399406273.db2.gz ASMHHZIWHNPPFJ-VXGBXAGGSA-N 1 2 311.407 2.712 20 5 DFBDLO COc1ccc(Cl)cc1C[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602437359 399444061 /nfs/dbraw/zinc/44/40/61/399444061.db2.gz VGGZOYLFLLRWEE-UHFFFAOYSA-N 1 2 324.768 2.622 20 5 DFBDLO COc1ccc(Cl)cc1C[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602437359 399444062 /nfs/dbraw/zinc/44/40/62/399444062.db2.gz VGGZOYLFLLRWEE-UHFFFAOYSA-N 1 2 324.768 2.622 20 5 DFBDLO COc1cncc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1C ZINC000602441153 399444798 /nfs/dbraw/zinc/44/47/98/399444798.db2.gz UKCKHKGXRPIVPV-UHFFFAOYSA-N 1 2 301.346 2.939 20 5 DFBDLO COc1cncc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1C ZINC000602441153 399444802 /nfs/dbraw/zinc/44/48/02/399444802.db2.gz UKCKHKGXRPIVPV-UHFFFAOYSA-N 1 2 301.346 2.939 20 5 DFBDLO Cc1nc2n(c1C)CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000611267849 399454171 /nfs/dbraw/zinc/45/41/71/399454171.db2.gz ICPGCXIIRHMMAU-ALCCZGGFSA-N 1 2 312.373 2.937 20 5 DFBDLO Cc1nc2n(c1C)CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000611267849 399454173 /nfs/dbraw/zinc/45/41/73/399454173.db2.gz ICPGCXIIRHMMAU-ALCCZGGFSA-N 1 2 312.373 2.937 20 5 DFBDLO Cc1[nH+]c2n(c1C)CCN(C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000611267849 399454175 /nfs/dbraw/zinc/45/41/75/399454175.db2.gz ICPGCXIIRHMMAU-ALCCZGGFSA-N 1 2 312.373 2.937 20 5 DFBDLO C[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1F ZINC000611521558 399487515 /nfs/dbraw/zinc/48/75/15/399487515.db2.gz VAXQEHWGRPMOAZ-PWSUYJOCSA-N 1 2 310.325 2.546 20 5 DFBDLO C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1F ZINC000611521558 399487518 /nfs/dbraw/zinc/48/75/18/399487518.db2.gz VAXQEHWGRPMOAZ-PWSUYJOCSA-N 1 2 310.325 2.546 20 5 DFBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H](O)C1 ZINC000289518988 285076011 /nfs/dbraw/zinc/07/60/11/285076011.db2.gz BAKNPIIHTPNDTF-JTQLQIEISA-N 1 2 305.161 2.858 20 5 DFBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H](O)C1 ZINC000289518988 285076015 /nfs/dbraw/zinc/07/60/15/285076015.db2.gz BAKNPIIHTPNDTF-JTQLQIEISA-N 1 2 305.161 2.858 20 5 DFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000172020774 285088960 /nfs/dbraw/zinc/08/89/60/285088960.db2.gz PXNBRCPTKDCSJU-CYBMUJFWSA-N 1 2 321.768 2.677 20 5 DFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000172020774 285088962 /nfs/dbraw/zinc/08/89/62/285088962.db2.gz PXNBRCPTKDCSJU-CYBMUJFWSA-N 1 2 321.768 2.677 20 5 DFBDLO O=[N+]([O-])c1cc(Cl)cnc1N1CCC(n2cc[nH+]c2)CC1 ZINC000153653673 285090926 /nfs/dbraw/zinc/09/09/26/285090926.db2.gz FZLNIGRVWHNOSJ-UHFFFAOYSA-N 1 2 307.741 2.681 20 5 DFBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291267300 285116967 /nfs/dbraw/zinc/11/69/67/285116967.db2.gz NNNDJMYBKUSTNE-JTQLQIEISA-N 1 2 320.723 2.698 20 5 DFBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291267300 285116968 /nfs/dbraw/zinc/11/69/68/285116968.db2.gz NNNDJMYBKUSTNE-JTQLQIEISA-N 1 2 320.723 2.698 20 5 DFBDLO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCCn4nccc43)nc2c1 ZINC000602752528 399556469 /nfs/dbraw/zinc/55/64/69/399556469.db2.gz XYJAAKMSPCOLCQ-LLVKDONJSA-N 1 2 313.317 2.557 20 5 DFBDLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602758935 399558394 /nfs/dbraw/zinc/55/83/94/399558394.db2.gz KAIJUFDULYPMTN-SECBINFHSA-N 1 2 310.304 2.800 20 5 DFBDLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602758935 399558396 /nfs/dbraw/zinc/55/83/96/399558396.db2.gz KAIJUFDULYPMTN-SECBINFHSA-N 1 2 310.304 2.800 20 5 DFBDLO Cc1ccc(NC(=O)N(C)CCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000120276396 195133892 /nfs/dbraw/zinc/13/38/92/195133892.db2.gz ACJJRIXODRRMQD-UHFFFAOYSA-N 1 2 317.349 2.654 20 5 DFBDLO CC[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000347980154 285280262 /nfs/dbraw/zinc/28/02/62/285280262.db2.gz GFTXQZSFFJAQJM-ZDUSSCGKSA-N 1 2 302.334 2.518 20 5 DFBDLO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)[nH]1 ZINC000271597793 209043860 /nfs/dbraw/zinc/04/38/60/209043860.db2.gz ZFBTXDHBJVSKRG-WDEREUQCSA-N 1 2 303.366 2.996 20 5 DFBDLO CSC1CC[NH+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000602920890 399626856 /nfs/dbraw/zinc/62/68/56/399626856.db2.gz RVFVCDINSWITOO-UHFFFAOYSA-N 1 2 323.418 2.669 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000289735479 221190079 /nfs/dbraw/zinc/19/00/79/221190079.db2.gz KHFGMYONMBQGIB-HZPDHXFCSA-N 1 2 320.389 2.993 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000289735479 221190084 /nfs/dbraw/zinc/19/00/84/221190084.db2.gz KHFGMYONMBQGIB-HZPDHXFCSA-N 1 2 320.389 2.993 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000289735475 221190540 /nfs/dbraw/zinc/19/05/40/221190540.db2.gz KHFGMYONMBQGIB-HOTGVXAUSA-N 1 2 320.389 2.993 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000289735475 221190543 /nfs/dbraw/zinc/19/05/43/221190543.db2.gz KHFGMYONMBQGIB-HOTGVXAUSA-N 1 2 320.389 2.993 20 5 DFBDLO Cc1ccc([C@H](C)[NH2+]Cc2cn(C(C)C)nn2)cc1[N+](=O)[O-] ZINC000289871942 221282886 /nfs/dbraw/zinc/28/28/86/221282886.db2.gz WNMUECSLEQPMDP-LBPRGKRZSA-N 1 2 303.366 2.926 20 5 DFBDLO Cc1nc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)sc1C ZINC000602963327 399641462 /nfs/dbraw/zinc/64/14/62/399641462.db2.gz VPYTWUJPOXRCKU-OAHLLOKOSA-N 1 2 321.402 2.665 20 5 DFBDLO Cc1c(NC(=O)CC[N@@H+]2OC3CCC2CC3)cccc1[N+](=O)[O-] ZINC000603032672 399662120 /nfs/dbraw/zinc/66/21/20/399662120.db2.gz NZYMKBUWVNPPJJ-UHFFFAOYSA-N 1 2 319.361 2.790 20 5 DFBDLO Cc1c(NC(=O)CC[N@H+]2OC3CCC2CC3)cccc1[N+](=O)[O-] ZINC000603032672 399662122 /nfs/dbraw/zinc/66/21/22/399662122.db2.gz NZYMKBUWVNPPJJ-UHFFFAOYSA-N 1 2 319.361 2.790 20 5 DFBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000120950328 195269608 /nfs/dbraw/zinc/26/96/08/195269608.db2.gz DFRCXXQPXORLOC-MRXNPFEDSA-N 1 2 318.329 2.640 20 5 DFBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000120950328 195269610 /nfs/dbraw/zinc/26/96/10/195269610.db2.gz DFRCXXQPXORLOC-MRXNPFEDSA-N 1 2 318.329 2.640 20 5 DFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H](C)S(=O)[C@@H](C)C1 ZINC000361659253 533382700 /nfs/dbraw/zinc/38/27/00/533382700.db2.gz ZKGLWDMDIPCULI-BJXMTCEISA-N 1 2 322.430 2.839 20 5 DFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H](C)S(=O)[C@@H](C)C1 ZINC000361659253 533382705 /nfs/dbraw/zinc/38/27/05/533382705.db2.gz ZKGLWDMDIPCULI-BJXMTCEISA-N 1 2 322.430 2.839 20 5 DFBDLO COc1cc[nH+]cc1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000348323347 285492873 /nfs/dbraw/zinc/49/28/73/285492873.db2.gz NATBNLPORPRDHZ-UHFFFAOYSA-N 1 2 321.720 2.582 20 5 DFBDLO COC[C@H](C)Nc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301294679 543045904 /nfs/dbraw/zinc/04/59/04/543045904.db2.gz XUKURLPSTKPSRP-NSHDSACASA-N 1 2 302.334 2.807 20 5 DFBDLO Cn1c[nH+]cc1Cc1noc(-c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000357937567 148183892 /nfs/dbraw/zinc/18/38/92/148183892.db2.gz PUNWXIZRPLZJGK-UHFFFAOYSA-N 1 2 319.708 2.623 20 5 DFBDLO CC(C)c1nnc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)s1 ZINC000350288470 286025021 /nfs/dbraw/zinc/02/50/21/286025021.db2.gz OKCRZUAARCWNLU-UHFFFAOYSA-N 1 2 310.354 2.999 20 5 DFBDLO Cc1cn2cc(NC(=O)Cc3cccc([N+](=O)[O-])c3)ccc2[nH+]1 ZINC000358274273 148314020 /nfs/dbraw/zinc/31/40/20/148314020.db2.gz DOGRGWSGDYXVFI-UHFFFAOYSA-N 1 2 310.313 2.732 20 5 DFBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@]2(CCCOC2)O1 ZINC000361107859 149029880 /nfs/dbraw/zinc/02/98/80/149029880.db2.gz AYRHPXYLJKHNBF-WBMJQRKESA-N 1 2 324.352 2.504 20 5 DFBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@]2(CCCOC2)O1 ZINC000361107859 149029882 /nfs/dbraw/zinc/02/98/82/149029882.db2.gz AYRHPXYLJKHNBF-WBMJQRKESA-N 1 2 324.352 2.504 20 5 DFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000361659254 149184195 /nfs/dbraw/zinc/18/41/95/149184195.db2.gz ZKGLWDMDIPCULI-DUYRLRNSSA-N 1 2 322.430 2.839 20 5 DFBDLO Cc1cc(C(=O)N2CCC[C@H]2c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000371463801 150050016 /nfs/dbraw/zinc/05/00/16/150050016.db2.gz LMCVTFIXGAFLTO-AWEZNQCLSA-N 1 2 314.345 2.614 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(CN2CCC[C@@H]2c2[nH]cc[nH+]2)c(F)c1 ZINC000351754539 286210550 /nfs/dbraw/zinc/21/05/50/286210550.db2.gz GAYQLGPTGNRBEO-CYBMUJFWSA-N 1 2 308.288 2.933 20 5 DFBDLO COC(=O)[C@@H](CC(C)C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000351876430 286235526 /nfs/dbraw/zinc/23/55/26/286235526.db2.gz ODLPVBCGIKVHNU-OAHLLOKOSA-N 1 2 306.362 2.541 20 5 DFBDLO COC(=O)[C@@H](CC(C)C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000351876430 286235527 /nfs/dbraw/zinc/23/55/27/286235527.db2.gz ODLPVBCGIKVHNU-OAHLLOKOSA-N 1 2 306.362 2.541 20 5 DFBDLO COc1ccc([N+](=O)[O-])c(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000268221673 286382922 /nfs/dbraw/zinc/38/29/22/286382922.db2.gz CSEANKIJWDUIPK-MLGOLLRUSA-N 1 2 316.361 2.887 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1nnc(C3CC3)[nH]1)CCC2 ZINC000296579544 226014163 /nfs/dbraw/zinc/01/41/63/226014163.db2.gz UGKDYVLRUDUCTO-CQSZACIVSA-N 1 2 313.361 2.758 20 5 DFBDLO COc1c(C)c[nH+]c(CN(C)c2ccc([N+](=O)[O-])cn2)c1C ZINC000058544846 425898270 /nfs/dbraw/zinc/89/82/70/425898270.db2.gz AMZSCBWQHXJGTI-UHFFFAOYSA-N 1 2 302.334 2.647 20 5 DFBDLO O=C(C[N@@H+]1CCc2ccccc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000007782863 425652949 /nfs/dbraw/zinc/65/29/49/425652949.db2.gz GAUFPMSHWVRABJ-UHFFFAOYSA-N 1 2 311.341 2.592 20 5 DFBDLO O=C(C[N@H+]1CCc2ccccc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000007782863 425652952 /nfs/dbraw/zinc/65/29/52/425652952.db2.gz GAUFPMSHWVRABJ-UHFFFAOYSA-N 1 2 311.341 2.592 20 5 DFBDLO C[C@H]1C[C@H](C)CN(C(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000046598977 425865484 /nfs/dbraw/zinc/86/54/84/425865484.db2.gz HRSANANHZTYREY-KBPBESRZSA-N 1 2 319.405 2.531 20 5 DFBDLO C[C@H]1C[C@H](C)CN(C(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000046598977 425865485 /nfs/dbraw/zinc/86/54/85/425865485.db2.gz HRSANANHZTYREY-KBPBESRZSA-N 1 2 319.405 2.531 20 5 DFBDLO CCCCN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032146821 425838106 /nfs/dbraw/zinc/83/81/06/425838106.db2.gz VSNPBSKHMMEOJZ-UHFFFAOYSA-N 1 2 302.334 2.653 20 5 DFBDLO CC(C)[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032484425 425838710 /nfs/dbraw/zinc/83/87/10/425838710.db2.gz VPYHERONSQNDMP-LLVKDONJSA-N 1 2 302.334 2.555 20 5 DFBDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599146 425865752 /nfs/dbraw/zinc/86/57/52/425865752.db2.gz NKKLXILTPSNZGN-ZIAGYGMSSA-N 1 2 319.405 2.816 20 5 DFBDLO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599146 425865753 /nfs/dbraw/zinc/86/57/53/425865753.db2.gz NKKLXILTPSNZGN-ZIAGYGMSSA-N 1 2 319.405 2.816 20 5 DFBDLO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000271001383 268246913 /nfs/dbraw/zinc/24/69/13/268246913.db2.gz KZBOSHXGFOMEII-AAEUAGOBSA-N 1 2 324.377 2.611 20 5 DFBDLO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000271001383 268246915 /nfs/dbraw/zinc/24/69/15/268246915.db2.gz KZBOSHXGFOMEII-AAEUAGOBSA-N 1 2 324.377 2.611 20 5 DFBDLO COc1cccc(NCc2ccc(N(C)C)[nH+]c2)c1[N+](=O)[O-] ZINC000274572181 268257215 /nfs/dbraw/zinc/25/72/15/268257215.db2.gz DUXBNMRRJZSKON-UHFFFAOYSA-N 1 2 302.334 2.677 20 5 DFBDLO CCN(CC)C(=O)C[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000049028485 425878374 /nfs/dbraw/zinc/87/83/74/425878374.db2.gz JNOQDEIZEQDQTC-UHFFFAOYSA-N 1 2 313.785 2.548 20 5 DFBDLO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000049028485 425878375 /nfs/dbraw/zinc/87/83/75/425878375.db2.gz JNOQDEIZEQDQTC-UHFFFAOYSA-N 1 2 313.785 2.548 20 5 DFBDLO C[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000166163635 426125602 /nfs/dbraw/zinc/12/56/02/426125602.db2.gz PDLLXYKLRKSHNH-AXFHLTTASA-N 1 2 307.350 2.500 20 5 DFBDLO C[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000166163635 426125604 /nfs/dbraw/zinc/12/56/04/426125604.db2.gz PDLLXYKLRKSHNH-AXFHLTTASA-N 1 2 307.350 2.500 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000171639745 426200742 /nfs/dbraw/zinc/20/07/42/426200742.db2.gz XMKXSEWOEUMHKQ-UHFFFAOYSA-N 1 2 304.325 2.837 20 5 DFBDLO Cc1cc(N[C@H](C)CCO)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000077988048 426154402 /nfs/dbraw/zinc/15/44/02/426154402.db2.gz KORLUUBRKYGYEZ-SNVBAGLBSA-N 1 2 302.334 2.543 20 5 DFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1CCC[C@H]1F ZINC000338840019 268731429 /nfs/dbraw/zinc/73/14/29/268731429.db2.gz CUGVRPHOUTVFLP-ZIAGYGMSSA-N 1 2 323.368 2.730 20 5 DFBDLO CCC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CC(F)F ZINC000173613316 426245008 /nfs/dbraw/zinc/24/50/08/426245008.db2.gz JQBAFOBLWWSPJE-UHFFFAOYSA-N 1 2 318.320 2.959 20 5 DFBDLO CCC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CC(F)F ZINC000173613316 426245010 /nfs/dbraw/zinc/24/50/10/426245010.db2.gz JQBAFOBLWWSPJE-UHFFFAOYSA-N 1 2 318.320 2.959 20 5 DFBDLO CC(C)(C)c1ccc(C(=O)NCCc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000174756121 426264626 /nfs/dbraw/zinc/26/46/26/426264626.db2.gz MODWVTNQBPIBBD-UHFFFAOYSA-N 1 2 316.361 2.588 20 5 DFBDLO COc1cc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000119523892 426295129 /nfs/dbraw/zinc/29/51/29/426295129.db2.gz AYGSFTRGNBUZER-LLVKDONJSA-N 1 2 324.377 2.611 20 5 DFBDLO COc1cc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000119523892 426295131 /nfs/dbraw/zinc/29/51/31/426295131.db2.gz AYGSFTRGNBUZER-LLVKDONJSA-N 1 2 324.377 2.611 20 5 DFBDLO CCCN(CCC)C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606566 426277139 /nfs/dbraw/zinc/27/71/39/426277139.db2.gz LRFACJRQSAJDPR-UHFFFAOYSA-N 1 2 319.405 2.602 20 5 DFBDLO CCCN(CCC)C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606566 426277142 /nfs/dbraw/zinc/27/71/42/426277142.db2.gz LRFACJRQSAJDPR-UHFFFAOYSA-N 1 2 319.405 2.602 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000175129605 426281656 /nfs/dbraw/zinc/28/16/56/426281656.db2.gz CJQJZAJGULKNRP-LBPRGKRZSA-N 1 2 308.378 2.993 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000175129605 426281658 /nfs/dbraw/zinc/28/16/58/426281658.db2.gz CJQJZAJGULKNRP-LBPRGKRZSA-N 1 2 308.378 2.993 20 5 DFBDLO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1n1cc[nH+]c1 ZINC000123032275 426410213 /nfs/dbraw/zinc/41/02/13/426410213.db2.gz YUUHJOPWVSWKKN-GHMZBOCLSA-N 1 2 320.374 2.576 20 5 DFBDLO COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123641628 426444910 /nfs/dbraw/zinc/44/49/10/426444910.db2.gz BWPHVXBJYIZXOQ-OCCSQVGLSA-N 1 2 307.394 2.518 20 5 DFBDLO COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123641628 426444913 /nfs/dbraw/zinc/44/49/13/426444913.db2.gz BWPHVXBJYIZXOQ-OCCSQVGLSA-N 1 2 307.394 2.518 20 5 DFBDLO CN(C)c1ccc(Nc2ncnc3sc([N+](=O)[O-])cc32)c[nH+]1 ZINC000341424735 269075613 /nfs/dbraw/zinc/07/56/13/269075613.db2.gz CJYWOFUVGYQVNO-UHFFFAOYSA-N 1 2 316.346 2.804 20 5 DFBDLO C[C@H](c1ccccc1)[N@H+](CC(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC000123854701 426456488 /nfs/dbraw/zinc/45/64/88/426456488.db2.gz MTWKVENIAWHSTH-CYBMUJFWSA-N 1 2 313.357 2.643 20 5 DFBDLO C[C@H](c1ccccc1)[N@@H+](CC(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC000123854701 426456491 /nfs/dbraw/zinc/45/64/91/426456491.db2.gz MTWKVENIAWHSTH-CYBMUJFWSA-N 1 2 313.357 2.643 20 5 DFBDLO CCn1nc(C)c([N+](=O)[O-])c1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000195343501 426518638 /nfs/dbraw/zinc/51/86/38/426518638.db2.gz MVUUHTHLBLHUFX-UHFFFAOYSA-N 1 2 316.365 2.858 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195506390 426531072 /nfs/dbraw/zinc/53/10/72/426531072.db2.gz SWEQYJLJTKRANX-UHFFFAOYSA-N 1 2 316.361 2.706 20 5 DFBDLO Cc1ccc(-c2csc([C@@H]3COCC[NH2+]3)n2)cc1[N+](=O)[O-] ZINC000226468722 426619948 /nfs/dbraw/zinc/61/99/48/426619948.db2.gz HPHQOGYGAMFTAJ-NSHDSACASA-N 1 2 305.359 2.688 20 5 DFBDLO Cc1ccc(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)[nH+]1 ZINC000186602779 426561121 /nfs/dbraw/zinc/56/11/21/426561121.db2.gz SVFRQTFHDIHBIK-UHFFFAOYSA-N 1 2 309.329 2.913 20 5 DFBDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000178505764 426642869 /nfs/dbraw/zinc/64/28/69/426642869.db2.gz ROXGIWQEDIQGLN-OAHLLOKOSA-N 1 2 318.352 2.977 20 5 DFBDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000178505764 426642876 /nfs/dbraw/zinc/64/28/76/426642876.db2.gz ROXGIWQEDIQGLN-OAHLLOKOSA-N 1 2 318.352 2.977 20 5 DFBDLO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000178660162 426670781 /nfs/dbraw/zinc/67/07/81/426670781.db2.gz AGQRBQPKULJCLK-NEPJUHHUSA-N 1 2 315.377 2.934 20 5 DFBDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccn1 ZINC000179697689 426812781 /nfs/dbraw/zinc/81/27/81/426812781.db2.gz VVFDNEXBYRXNBD-LLVKDONJSA-N 1 2 315.329 2.707 20 5 DFBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H](CO)c1ccccc1 ZINC000267081272 426822440 /nfs/dbraw/zinc/82/24/40/426822440.db2.gz YABNZQHPKOBRJX-INIZCTEOSA-N 1 2 304.321 2.899 20 5 DFBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H](CO)c1ccccc1 ZINC000267081272 426822444 /nfs/dbraw/zinc/82/24/44/426822444.db2.gz YABNZQHPKOBRJX-INIZCTEOSA-N 1 2 304.321 2.899 20 5 DFBDLO CC(C)c1ccc(C[NH2+]Cc2cc(C(N)=O)co2)cc1[N+](=O)[O-] ZINC000189424206 426853842 /nfs/dbraw/zinc/85/38/42/426853842.db2.gz FGJNUQTVVDODLI-UHFFFAOYSA-N 1 2 317.345 2.700 20 5 DFBDLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000267591778 426883554 /nfs/dbraw/zinc/88/35/54/426883554.db2.gz DABNJJOSEJQYTH-VXGBXAGGSA-N 1 2 314.345 2.509 20 5 DFBDLO CC1(C)C[N@H+](CCNc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000337663928 426909704 /nfs/dbraw/zinc/90/97/04/426909704.db2.gz UYEFQWCTUGWNQN-UHFFFAOYSA-N 1 2 313.785 2.771 20 5 DFBDLO CC1(C)C[N@@H+](CCNc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000337663928 426909709 /nfs/dbraw/zinc/90/97/09/426909709.db2.gz UYEFQWCTUGWNQN-UHFFFAOYSA-N 1 2 313.785 2.771 20 5 DFBDLO CCOCCOCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000190258743 427058502 /nfs/dbraw/zinc/05/85/02/427058502.db2.gz NSYJTTZEILSSJB-UHFFFAOYSA-N 1 2 316.785 2.733 20 5 DFBDLO CCOCCOCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000190258743 427058510 /nfs/dbraw/zinc/05/85/10/427058510.db2.gz NSYJTTZEILSSJB-UHFFFAOYSA-N 1 2 316.785 2.733 20 5 DFBDLO CC(C)c1ccc(C[N@@H+]2CCC[C@]23CCOC3=O)cc1[N+](=O)[O-] ZINC000190030214 427001417 /nfs/dbraw/zinc/00/14/17/427001417.db2.gz GPXXVBKIRJZQQX-QGZVFWFLSA-N 1 2 318.373 3.000 20 5 DFBDLO CC(C)c1ccc(C[N@H+]2CCC[C@]23CCOC3=O)cc1[N+](=O)[O-] ZINC000190030214 427001423 /nfs/dbraw/zinc/00/14/23/427001423.db2.gz GPXXVBKIRJZQQX-QGZVFWFLSA-N 1 2 318.373 3.000 20 5 DFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+](C2CC2)C2COC2)c1 ZINC000295560294 427008521 /nfs/dbraw/zinc/00/85/21/427008521.db2.gz XWABNHVRCQZPCJ-UHFFFAOYSA-N 1 2 316.279 2.977 20 5 DFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+](C2CC2)C2COC2)c1 ZINC000295560294 427008527 /nfs/dbraw/zinc/00/85/27/427008527.db2.gz XWABNHVRCQZPCJ-UHFFFAOYSA-N 1 2 316.279 2.977 20 5 DFBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000276387919 427055130 /nfs/dbraw/zinc/05/51/30/427055130.db2.gz HSGFAOXGHXKSNT-GFCCVEGCSA-N 1 2 317.349 2.618 20 5 DFBDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000276458067 427073136 /nfs/dbraw/zinc/07/31/36/427073136.db2.gz QHBBFLLGGRWQDX-ZBINZKHDSA-N 1 2 322.336 2.507 20 5 DFBDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000276458067 427073138 /nfs/dbraw/zinc/07/31/38/427073138.db2.gz QHBBFLLGGRWQDX-ZBINZKHDSA-N 1 2 322.336 2.507 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](Oc3ccccn3)C2)cs1 ZINC000268689792 427090997 /nfs/dbraw/zinc/09/09/97/427090997.db2.gz OOPFVZOPKDWAPU-GFCCVEGCSA-N 1 2 305.359 2.705 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](Oc3ccccn3)C2)cs1 ZINC000268689792 427091001 /nfs/dbraw/zinc/09/10/01/427091001.db2.gz OOPFVZOPKDWAPU-GFCCVEGCSA-N 1 2 305.359 2.705 20 5 DFBDLO C[C@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCS1 ZINC000171701553 271107187 /nfs/dbraw/zinc/10/71/87/271107187.db2.gz WKFJGSPMBATESR-JTQLQIEISA-N 1 2 320.374 2.582 20 5 DFBDLO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCS1 ZINC000171701553 271107188 /nfs/dbraw/zinc/10/71/88/271107188.db2.gz WKFJGSPMBATESR-JTQLQIEISA-N 1 2 320.374 2.582 20 5 DFBDLO CCOC(=O)[C@@H](CC)[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000190613306 271214829 /nfs/dbraw/zinc/21/48/29/271214829.db2.gz YNYSIYLHYAELDF-OAHLLOKOSA-N 1 2 306.362 2.901 20 5 DFBDLO CCOC(=O)[C@@H](CC)[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000190613306 271214831 /nfs/dbraw/zinc/21/48/31/271214831.db2.gz YNYSIYLHYAELDF-OAHLLOKOSA-N 1 2 306.362 2.901 20 5 DFBDLO CCCCC[N@H+](CC(N)=O)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000183050398 427189266 /nfs/dbraw/zinc/18/92/66/427189266.db2.gz LTBMAMUQPSUTBG-UHFFFAOYSA-N 1 2 313.785 2.726 20 5 DFBDLO CCCCC[N@@H+](CC(N)=O)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000183050398 427189270 /nfs/dbraw/zinc/18/92/70/427189270.db2.gz LTBMAMUQPSUTBG-UHFFFAOYSA-N 1 2 313.785 2.726 20 5 DFBDLO O=[N+]([O-])c1cc(Cl)ccc1NCC1([NH+]2CCOCC2)CC1 ZINC000277501649 427221951 /nfs/dbraw/zinc/22/19/51/427221951.db2.gz STGXRTOXDZAYRT-UHFFFAOYSA-N 1 2 311.769 2.525 20 5 DFBDLO CC(C)c1nnc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000285445517 427232101 /nfs/dbraw/zinc/23/21/01/427232101.db2.gz XXSMUZVUVRLPHK-UHFFFAOYSA-N 1 2 304.350 2.776 20 5 DFBDLO CC(C)c1nnc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000285445517 427232108 /nfs/dbraw/zinc/23/21/08/427232108.db2.gz XXSMUZVUVRLPHK-UHFFFAOYSA-N 1 2 304.350 2.776 20 5 DFBDLO CCc1cnc(C[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000269633934 427233836 /nfs/dbraw/zinc/23/38/36/427233836.db2.gz GOEWRIPVBOTIAT-AWEZNQCLSA-N 1 2 321.402 2.779 20 5 DFBDLO CCc1cnc(C[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000269633934 427233844 /nfs/dbraw/zinc/23/38/44/427233844.db2.gz GOEWRIPVBOTIAT-AWEZNQCLSA-N 1 2 321.402 2.779 20 5 DFBDLO Cn1nccc1C1=CC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000285652958 427299303 /nfs/dbraw/zinc/29/93/03/427299303.db2.gz PGQSTINVWJVSNR-UHFFFAOYSA-N 1 2 304.375 2.679 20 5 DFBDLO Cn1nccc1C1=CC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000285652958 427299305 /nfs/dbraw/zinc/29/93/05/427299305.db2.gz PGQSTINVWJVSNR-UHFFFAOYSA-N 1 2 304.375 2.679 20 5 DFBDLO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000331117406 427348216 /nfs/dbraw/zinc/34/82/16/427348216.db2.gz MTFQIKFWOANXFK-ABAIWWIYSA-N 1 2 306.362 2.677 20 5 DFBDLO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000331117406 427348219 /nfs/dbraw/zinc/34/82/19/427348219.db2.gz MTFQIKFWOANXFK-ABAIWWIYSA-N 1 2 306.362 2.677 20 5 DFBDLO Cc1cnc(OCCc2[nH+]c3ccccc3n2C)c([N+](=O)[O-])c1 ZINC000271026558 427376772 /nfs/dbraw/zinc/37/67/72/427376772.db2.gz CCVIBTAXSKFFON-UHFFFAOYSA-N 1 2 312.329 2.806 20 5 DFBDLO CCOc1cc(C[N@@H+]2C[C@@H](C)O[C@H](CC)C2)ccc1[N+](=O)[O-] ZINC000331198329 427366069 /nfs/dbraw/zinc/36/60/69/427366069.db2.gz ZCWFWGDUMFAYRO-TZMCWYRMSA-N 1 2 308.378 2.993 20 5 DFBDLO CCOc1cc(C[N@H+]2C[C@@H](C)O[C@H](CC)C2)ccc1[N+](=O)[O-] ZINC000331198329 427366073 /nfs/dbraw/zinc/36/60/73/427366073.db2.gz ZCWFWGDUMFAYRO-TZMCWYRMSA-N 1 2 308.378 2.993 20 5 DFBDLO C[N@H+](CCOCC1CC1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286240875 427463793 /nfs/dbraw/zinc/46/37/93/427463793.db2.gz CIRYOFPKQGZZRZ-UHFFFAOYSA-N 1 2 300.305 2.731 20 5 DFBDLO C[N@@H+](CCOCC1CC1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286240875 427463800 /nfs/dbraw/zinc/46/38/00/427463800.db2.gz CIRYOFPKQGZZRZ-UHFFFAOYSA-N 1 2 300.305 2.731 20 5 DFBDLO C[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)Cn1cc[nH+]c1 ZINC000286250619 427466745 /nfs/dbraw/zinc/46/67/45/427466745.db2.gz ITLDWZSHWQUDPH-SECBINFHSA-N 1 2 318.362 2.544 20 5 DFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1CC[C@H](F)C1 ZINC000340916375 271757154 /nfs/dbraw/zinc/75/71/54/271757154.db2.gz PDNGLKAQBOWDGV-UONOGXRCSA-N 1 2 323.368 2.730 20 5 DFBDLO CC[C@@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@H](C)[S@@]1=O ZINC000286093434 427424671 /nfs/dbraw/zinc/42/46/71/427424671.db2.gz SXIHUGGOOPFPFT-KDRJOKAESA-N 1 2 310.419 2.887 20 5 DFBDLO CC[C@@H]1C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@H](C)[S@@]1=O ZINC000286093434 427424678 /nfs/dbraw/zinc/42/46/78/427424678.db2.gz SXIHUGGOOPFPFT-KDRJOKAESA-N 1 2 310.419 2.887 20 5 DFBDLO CC(C)C1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000294027502 427525898 /nfs/dbraw/zinc/52/58/98/427525898.db2.gz WIGSNLSDDNKRAS-UHFFFAOYSA-N 1 2 314.345 2.699 20 5 DFBDLO COc1ccc(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000294079438 427543524 /nfs/dbraw/zinc/54/35/24/427543524.db2.gz QYEQWIZVSVAYCT-IRXDYDNUSA-N 1 2 318.373 2.747 20 5 DFBDLO COc1ccc(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000294079438 427543530 /nfs/dbraw/zinc/54/35/30/427543530.db2.gz QYEQWIZVSVAYCT-IRXDYDNUSA-N 1 2 318.373 2.747 20 5 DFBDLO C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332440359 427612702 /nfs/dbraw/zinc/61/27/02/427612702.db2.gz BTKWGCRLBPHCBD-CXAGYDPISA-N 1 2 319.405 2.943 20 5 DFBDLO C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332440359 427612709 /nfs/dbraw/zinc/61/27/09/427612709.db2.gz BTKWGCRLBPHCBD-CXAGYDPISA-N 1 2 319.405 2.943 20 5 DFBDLO COC(=O)c1ccoc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271777531 427583164 /nfs/dbraw/zinc/58/31/64/427583164.db2.gz RPZYZINGMRIQSK-SNVBAGLBSA-N 1 2 304.302 2.825 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCS[C@@H](C)CC1 ZINC000332358578 427590761 /nfs/dbraw/zinc/59/07/61/427590761.db2.gz QHPYKHXESDIKIS-LBPRGKRZSA-N 1 2 323.418 2.669 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCS[C@@H](C)CC1 ZINC000332358578 427590766 /nfs/dbraw/zinc/59/07/66/427590766.db2.gz QHPYKHXESDIKIS-LBPRGKRZSA-N 1 2 323.418 2.669 20 5 DFBDLO CCOc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000279378117 427655617 /nfs/dbraw/zinc/65/56/17/427655617.db2.gz SLNOFFNVNFJGIN-SJKOYZFVSA-N 1 2 320.389 2.993 20 5 DFBDLO CCOc1cc(C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000279378117 427655621 /nfs/dbraw/zinc/65/56/21/427655621.db2.gz SLNOFFNVNFJGIN-SJKOYZFVSA-N 1 2 320.389 2.993 20 5 DFBDLO COC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000339077892 427666215 /nfs/dbraw/zinc/66/62/15/427666215.db2.gz XGNGKBWHWKYGHY-OAHLLOKOSA-N 1 2 320.320 2.917 20 5 DFBDLO CCC1(CC)[C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1OC ZINC000339127201 427691371 /nfs/dbraw/zinc/69/13/71/427691371.db2.gz YCDVDFYPRYOBDR-GJZGRUSLSA-N 1 2 308.378 2.984 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC2(CCOCC2)CC1 ZINC000339174706 427717633 /nfs/dbraw/zinc/71/76/33/427717633.db2.gz PQRZRWBCRWIRGV-UHFFFAOYSA-N 1 2 306.362 2.693 20 5 DFBDLO C[C@H](c1ccccc1[N+](=O)[O-])N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000279766889 427719102 /nfs/dbraw/zinc/71/91/02/427719102.db2.gz SHHJDTZAIZSWJY-CQSZACIVSA-N 1 2 321.421 2.698 20 5 DFBDLO C[C@H](c1ccccc1[N+](=O)[O-])N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000279766889 427719107 /nfs/dbraw/zinc/71/91/07/427719107.db2.gz SHHJDTZAIZSWJY-CQSZACIVSA-N 1 2 321.421 2.698 20 5 DFBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1 ZINC000193863614 427720815 /nfs/dbraw/zinc/72/08/15/427720815.db2.gz OLVSANGKIAAOFY-CYBMUJFWSA-N 1 2 316.361 2.576 20 5 DFBDLO C[C@H](CNc1ccc(Cl)cc1[N+](=O)[O-])[N@@H+]1CCOC[C@H]1C ZINC000301221210 427782287 /nfs/dbraw/zinc/78/22/87/427782287.db2.gz BWVCBGLRHOKKTH-GHMZBOCLSA-N 1 2 313.785 2.769 20 5 DFBDLO C[C@H](CNc1ccc(Cl)cc1[N+](=O)[O-])[N@H+]1CCOC[C@H]1C ZINC000301221210 427782288 /nfs/dbraw/zinc/78/22/88/427782288.db2.gz BWVCBGLRHOKKTH-GHMZBOCLSA-N 1 2 313.785 2.769 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000339203309 427730446 /nfs/dbraw/zinc/73/04/46/427730446.db2.gz HVOFPFVENYATDX-GFCCVEGCSA-N 1 2 322.752 2.597 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000339203309 427730450 /nfs/dbraw/zinc/73/04/50/427730450.db2.gz HVOFPFVENYATDX-GFCCVEGCSA-N 1 2 322.752 2.597 20 5 DFBDLO CCc1nocc1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000339604293 427799730 /nfs/dbraw/zinc/79/97/30/427799730.db2.gz YENNBLNWZHNJQV-UHFFFAOYSA-N 1 2 305.334 2.786 20 5 DFBDLO CCc1nocc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000339604293 427799733 /nfs/dbraw/zinc/79/97/33/427799733.db2.gz YENNBLNWZHNJQV-UHFFFAOYSA-N 1 2 305.334 2.786 20 5 DFBDLO CCOc1ccc(NC(=O)C[N@H+]2CC=C(C)CC2)c([N+](=O)[O-])c1 ZINC000339625236 427803619 /nfs/dbraw/zinc/80/36/19/427803619.db2.gz YCHHFKNEYRPJFL-UHFFFAOYSA-N 1 2 319.361 2.584 20 5 DFBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC=C(C)CC2)c([N+](=O)[O-])c1 ZINC000339625236 427803622 /nfs/dbraw/zinc/80/36/22/427803622.db2.gz YCHHFKNEYRPJFL-UHFFFAOYSA-N 1 2 319.361 2.584 20 5 DFBDLO O=[N+]([O-])c1cnc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c(Cl)c1 ZINC000301758046 427821567 /nfs/dbraw/zinc/82/15/67/427821567.db2.gz AXSNHRTXFUZSCA-SNVBAGLBSA-N 1 2 319.752 2.729 20 5 DFBDLO O=[N+]([O-])c1ccc(N[C@H]2CCN(c3cccc[nH+]3)C2)c(F)c1 ZINC000301789504 427824490 /nfs/dbraw/zinc/82/44/90/427824490.db2.gz YEWVVHDIFAGOSY-NSHDSACASA-N 1 2 302.309 2.820 20 5 DFBDLO Cc1cc(NC[C@H](O)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301808002 427826217 /nfs/dbraw/zinc/82/62/17/427826217.db2.gz CKRPULNIDCZRCT-AWEZNQCLSA-N 1 2 316.361 2.789 20 5 DFBDLO Cn1c(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)ccc1[N+](=O)[O-] ZINC000346100192 272571511 /nfs/dbraw/zinc/57/15/11/272571511.db2.gz YCBYSOFMUBPDPC-UHFFFAOYSA-N 1 2 311.301 2.576 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H]1CCCC[C@@H]1OC(F)F ZINC000337275119 427829674 /nfs/dbraw/zinc/82/96/74/427829674.db2.gz FWFCGLAMLLJPEY-YPMHNXCESA-N 1 2 316.304 2.940 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCC[C@H]3CCOC3)c2c1 ZINC000413322637 428020999 /nfs/dbraw/zinc/02/09/99/428020999.db2.gz RQTBCXWEQTXRDZ-LBPRGKRZSA-N 1 2 301.346 3.372 20 5 DFBDLO Cc1cc(NCC(C)(C)[NH+]2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000359850907 428045660 /nfs/dbraw/zinc/04/56/60/428045660.db2.gz ZMKUYOCYWDNJTI-UHFFFAOYSA-N 1 2 311.357 2.565 20 5 DFBDLO CC(C)OC(=O)CCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413223717 427996496 /nfs/dbraw/zinc/99/64/96/427996496.db2.gz CLWUZQDMAFMRNF-UHFFFAOYSA-N 1 2 317.345 3.287 20 5 DFBDLO CCn1nccc1CN(C)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413263836 428006056 /nfs/dbraw/zinc/00/60/56/428006056.db2.gz LLDWRLMNLCCQLE-UHFFFAOYSA-N 1 2 311.345 2.996 20 5 DFBDLO CO[C@H]1COCC[C@@H]1CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413313951 428019351 /nfs/dbraw/zinc/01/93/51/428019351.db2.gz MCJCFNASUNLUHQ-DOMZBBRYSA-N 1 2 317.345 2.606 20 5 DFBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000377138902 428067775 /nfs/dbraw/zinc/06/77/75/428067775.db2.gz LLGNGFTUIVLWFZ-CQSZACIVSA-N 1 2 314.345 2.835 20 5 DFBDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1cccc([N+](=O)[O-])c1 ZINC000360011886 428117211 /nfs/dbraw/zinc/11/72/11/428117211.db2.gz YKYNKJWAJJTAJZ-UHFFFAOYSA-N 1 2 322.324 2.711 20 5 DFBDLO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352544259 428145593 /nfs/dbraw/zinc/14/55/93/428145593.db2.gz PKOWMDWJBOEXLF-GFCCVEGCSA-N 1 2 308.378 2.799 20 5 DFBDLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352544259 428145600 /nfs/dbraw/zinc/14/56/00/428145600.db2.gz PKOWMDWJBOEXLF-GFCCVEGCSA-N 1 2 308.378 2.799 20 5 DFBDLO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1[nH]cc[nH+]1 ZINC000356571710 428236260 /nfs/dbraw/zinc/23/62/60/428236260.db2.gz DEMVBFVADNVBOH-UHFFFAOYSA-N 1 2 320.374 2.750 20 5 DFBDLO CC(C)c1ccc(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000352872437 428289319 /nfs/dbraw/zinc/28/93/19/428289319.db2.gz DOEOOBOVRIDWOS-AWEZNQCLSA-N 1 2 317.389 2.525 20 5 DFBDLO CC(C)c1ccc(C[N@H+]2CCN3C(=O)CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000352872437 428289326 /nfs/dbraw/zinc/28/93/26/428289326.db2.gz DOEOOBOVRIDWOS-AWEZNQCLSA-N 1 2 317.389 2.525 20 5 DFBDLO Cc1cccc([C@]2(F)CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)c1 ZINC000370568325 428241814 /nfs/dbraw/zinc/24/18/14/428241814.db2.gz LFCCNSMEPQKRQP-INIZCTEOSA-N 1 2 318.352 2.707 20 5 DFBDLO Cc1cccc([C@]2(F)CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)c1 ZINC000370568325 428241820 /nfs/dbraw/zinc/24/18/20/428241820.db2.gz LFCCNSMEPQKRQP-INIZCTEOSA-N 1 2 318.352 2.707 20 5 DFBDLO Cc1[nH+]c2n(c1C)CCN(c1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC000370878690 428313027 /nfs/dbraw/zinc/31/30/27/428313027.db2.gz DGYBKMMZCDYPOF-UHFFFAOYSA-N 1 2 308.288 2.707 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000356831545 428328826 /nfs/dbraw/zinc/32/88/26/428328826.db2.gz XSQUSVFCRKHSPV-HNNXBMFYSA-N 1 2 312.373 2.980 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000356831545 428328829 /nfs/dbraw/zinc/32/88/29/428328829.db2.gz XSQUSVFCRKHSPV-HNNXBMFYSA-N 1 2 312.373 2.980 20 5 DFBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000378490070 428410739 /nfs/dbraw/zinc/41/07/39/428410739.db2.gz QIVGTFSXWOLTSD-CQSZACIVSA-N 1 2 302.334 2.534 20 5 DFBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000378490070 428410744 /nfs/dbraw/zinc/41/07/44/428410744.db2.gz QIVGTFSXWOLTSD-CQSZACIVSA-N 1 2 302.334 2.534 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000342774130 428451089 /nfs/dbraw/zinc/45/10/89/428451089.db2.gz DLPPNUQFSLZEAF-NSHDSACASA-N 1 2 302.309 2.820 20 5 DFBDLO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378516851 428420078 /nfs/dbraw/zinc/42/00/78/428420078.db2.gz OZVLKSPIUKDLIW-LBPRGKRZSA-N 1 2 320.736 2.949 20 5 DFBDLO CC(C)c1ccc(C[NH2+][C@@H](C)c2ncnn2C)cc1[N+](=O)[O-] ZINC000353188149 428423317 /nfs/dbraw/zinc/42/33/17/428423317.db2.gz CCAPTUQPAHFYAS-NSHDSACASA-N 1 2 303.366 2.698 20 5 DFBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(c3nc[nH]n3)CC2)c1 ZINC000372683864 428487371 /nfs/dbraw/zinc/48/73/71/428487371.db2.gz WLSFEKUKPDXBFO-UHFFFAOYSA-N 1 2 321.768 2.746 20 5 DFBDLO CCc1nn(C)c(Nc2ccc(N(CC)CC)[nH+]c2)c1[N+](=O)[O-] ZINC000360949914 428505616 /nfs/dbraw/zinc/50/56/16/428505616.db2.gz UCSSOOOSJZMXET-UHFFFAOYSA-N 1 2 318.381 2.876 20 5 DFBDLO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000372624050 428478020 /nfs/dbraw/zinc/47/80/20/428478020.db2.gz DUYNZVJVDHCQEI-MRXNPFEDSA-N 1 2 311.341 2.808 20 5 DFBDLO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000372624050 428478026 /nfs/dbraw/zinc/47/80/26/428478026.db2.gz DUYNZVJVDHCQEI-MRXNPFEDSA-N 1 2 311.341 2.808 20 5 DFBDLO Cc1ccn2cc(CNC(=O)c3cc(C)cc([N+](=O)[O-])c3)[nH+]c2c1 ZINC000347338436 428552923 /nfs/dbraw/zinc/55/29/23/428552923.db2.gz BNMICRLTEGQYKB-UHFFFAOYSA-N 1 2 324.340 2.789 20 5 DFBDLO COCCN(C)c1ccc(/C=C\c2ccc([N+](=O)[O-])cn2)c[nH+]1 ZINC000358652448 428623215 /nfs/dbraw/zinc/62/32/15/428623215.db2.gz FJQPVBMOIOBZBW-HYXAFXHYSA-N 1 2 314.345 2.638 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000348220132 428662422 /nfs/dbraw/zinc/66/24/22/428662422.db2.gz BXQLAFCYTPQQNJ-SJCJKPOMSA-N 1 2 320.389 2.993 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000348220132 428662430 /nfs/dbraw/zinc/66/24/30/428662430.db2.gz BXQLAFCYTPQQNJ-SJCJKPOMSA-N 1 2 320.389 2.993 20 5 DFBDLO Cn1ccnc1[C@H]([NH2+][C@@H]1C[C@H]1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000348296669 428698581 /nfs/dbraw/zinc/69/85/81/428698581.db2.gz XAYRIHMXXKDCIF-JHJVBQTASA-N 1 2 322.315 2.661 20 5 DFBDLO Cc1cc[nH+]c(C)c1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000362398238 428731682 /nfs/dbraw/zinc/73/16/82/428731682.db2.gz VJURIQCVZFTLDQ-UHFFFAOYSA-N 1 2 301.302 2.624 20 5 DFBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@](F)(c3ccccc3F)C2)c1 ZINC000374814092 428758575 /nfs/dbraw/zinc/75/85/75/428758575.db2.gz KPGHMXCSDZRLJS-HNNXBMFYSA-N 1 2 322.315 2.501 20 5 DFBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@](F)(c3ccccc3F)C2)c1 ZINC000374814092 428758580 /nfs/dbraw/zinc/75/85/80/428758580.db2.gz KPGHMXCSDZRLJS-HNNXBMFYSA-N 1 2 322.315 2.501 20 5 DFBDLO CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000411228434 428762380 /nfs/dbraw/zinc/76/23/80/428762380.db2.gz QXWZUEYGFIGJAB-UHFFFAOYSA-N 1 2 315.320 2.901 20 5 DFBDLO CCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000411228434 428762384 /nfs/dbraw/zinc/76/23/84/428762384.db2.gz QXWZUEYGFIGJAB-UHFFFAOYSA-N 1 2 315.320 2.901 20 5 DFBDLO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000374848804 428763642 /nfs/dbraw/zinc/76/36/42/428763642.db2.gz YHCITIFBCNZXQG-LBPRGKRZSA-N 1 2 301.306 2.687 20 5 DFBDLO COc1cc[nH+]cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000353850039 428747332 /nfs/dbraw/zinc/74/73/32/428747332.db2.gz VNFROCPBTKEIOV-UHFFFAOYSA-N 1 2 307.693 2.904 20 5 DFBDLO CCn1ncnc1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000359057572 428794496 /nfs/dbraw/zinc/79/44/96/428794496.db2.gz SCJLIJVEEMLQIF-AWEZNQCLSA-N 1 2 315.377 2.718 20 5 DFBDLO C[C@@H](c1ccccc1)[N@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000354011147 428820765 /nfs/dbraw/zinc/82/07/65/428820765.db2.gz TURXFNXVUZZBJE-ZDUSSCGKSA-N 1 2 313.357 2.643 20 5 DFBDLO C[C@@H](c1ccccc1)[N@@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000354011147 428820766 /nfs/dbraw/zinc/82/07/66/428820766.db2.gz TURXFNXVUZZBJE-ZDUSSCGKSA-N 1 2 313.357 2.643 20 5 DFBDLO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000354102076 428863615 /nfs/dbraw/zinc/86/36/15/428863615.db2.gz YHQSRAPRCMBLGC-OAHLLOKOSA-N 1 2 319.405 2.819 20 5 DFBDLO CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000354102076 428863619 /nfs/dbraw/zinc/86/36/19/428863619.db2.gz YHQSRAPRCMBLGC-OAHLLOKOSA-N 1 2 319.405 2.819 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCO[C@@H](CF)C2)c(Cl)c1 ZINC000411859986 428871621 /nfs/dbraw/zinc/87/16/21/428871621.db2.gz OWUVDNZLWLICIX-LBPRGKRZSA-N 1 2 302.733 2.809 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCO[C@@H](CF)C2)c(Cl)c1 ZINC000411859986 428871627 /nfs/dbraw/zinc/87/16/27/428871627.db2.gz OWUVDNZLWLICIX-LBPRGKRZSA-N 1 2 302.733 2.809 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCCC3(O)CCC3)c2c1 ZINC000420638670 428961833 /nfs/dbraw/zinc/96/18/33/428961833.db2.gz PCLBQFMTWYKSAL-UHFFFAOYSA-N 1 2 301.346 3.250 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000375914942 429016889 /nfs/dbraw/zinc/01/68/89/429016889.db2.gz AUYMRDLETMXLOM-BZNIZROVSA-N 1 2 306.362 2.603 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000375914942 429016896 /nfs/dbraw/zinc/01/68/96/429016896.db2.gz AUYMRDLETMXLOM-BZNIZROVSA-N 1 2 306.362 2.603 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456420441 429302886 /nfs/dbraw/zinc/30/28/86/429302886.db2.gz MONYVVQPROBSQN-WDEREUQCSA-N 1 2 300.318 2.536 20 5 DFBDLO C[C@@H]1C[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456437758 429306729 /nfs/dbraw/zinc/30/67/29/429306729.db2.gz XCFLTXCHTXLFBT-BXUZGUMPSA-N 1 2 314.345 2.546 20 5 DFBDLO C[C@@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000366579670 429480677 /nfs/dbraw/zinc/48/06/77/429480677.db2.gz RKKHNDCEPIMGHK-MLGOLLRUSA-N 1 2 324.352 2.504 20 5 DFBDLO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000366579670 429480681 /nfs/dbraw/zinc/48/06/81/429480681.db2.gz RKKHNDCEPIMGHK-MLGOLLRUSA-N 1 2 324.352 2.504 20 5 DFBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCn2c(C)c(C)[nH+]c2C1 ZINC000367426868 275803150 /nfs/dbraw/zinc/80/31/50/275803150.db2.gz TWPOKIKQIOUGKU-UHFFFAOYSA-N 1 2 314.345 2.631 20 5 DFBDLO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492815347 429621739 /nfs/dbraw/zinc/62/17/39/429621739.db2.gz WTGOZCNIDGIVQP-DJWKRKHSSA-N 1 2 320.736 2.643 20 5 DFBDLO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccn2cc[nH+]c2c1 ZINC000492825193 429624671 /nfs/dbraw/zinc/62/46/71/429624671.db2.gz BVHZSJFKPRBJLA-UTCJRWHESA-N 1 2 308.297 2.894 20 5 DFBDLO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000367270227 429609707 /nfs/dbraw/zinc/60/97/07/429609707.db2.gz KMRBKGMNQFJAPS-CYBMUJFWSA-N 1 2 313.361 2.774 20 5 DFBDLO CC[C@@H]([NH2+]Cc1nc(C(=O)OC)co1)c1cccc([N+](=O)[O-])c1 ZINC000450690356 429678312 /nfs/dbraw/zinc/67/83/12/429678312.db2.gz ZAHYVCDRXWWSEK-GFCCVEGCSA-N 1 2 319.317 2.610 20 5 DFBDLO O=C(/C=C\c1ccccc1[N+](=O)[O-])Nc1c[nH+]c2n1CCCC2 ZINC000493066265 429681361 /nfs/dbraw/zinc/68/13/61/429681361.db2.gz SDVGKQNQAPPWIL-HJWRWDBZSA-N 1 2 312.329 2.780 20 5 DFBDLO C[C@@H]1C[C@H](Nc2c3ccccc3ncc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450817857 429706673 /nfs/dbraw/zinc/70/66/73/429706673.db2.gz GRNMCGXYYRXEBS-MFKMUULPSA-N 1 2 309.329 2.879 20 5 DFBDLO CO[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000451580364 429857876 /nfs/dbraw/zinc/85/78/76/429857876.db2.gz ZSIAQULTKNCLTB-OTYXRUKQSA-N 1 2 300.305 2.730 20 5 DFBDLO CO[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000451580364 429857878 /nfs/dbraw/zinc/85/78/78/429857878.db2.gz ZSIAQULTKNCLTB-OTYXRUKQSA-N 1 2 300.305 2.730 20 5 DFBDLO CCc1nc([C@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)no1 ZINC000368679923 429886343 /nfs/dbraw/zinc/88/63/43/429886343.db2.gz HZANLPQQBNTVHS-CQSZACIVSA-N 1 2 316.361 2.920 20 5 DFBDLO CCc1nc([C@H]2CCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)no1 ZINC000368679923 429886345 /nfs/dbraw/zinc/88/63/45/429886345.db2.gz HZANLPQQBNTVHS-CQSZACIVSA-N 1 2 316.361 2.920 20 5 DFBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)c1 ZINC000369017882 429907546 /nfs/dbraw/zinc/90/75/46/429907546.db2.gz QITULYDKPOOCRQ-LBPRGKRZSA-N 1 2 322.315 2.907 20 5 DFBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)c1 ZINC000369017882 429907547 /nfs/dbraw/zinc/90/75/47/429907547.db2.gz QITULYDKPOOCRQ-LBPRGKRZSA-N 1 2 322.315 2.907 20 5 DFBDLO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000361139661 277137815 /nfs/dbraw/zinc/13/78/15/277137815.db2.gz HFCOTTUTUHYSMZ-XHDPSFHLSA-N 1 2 306.362 2.677 20 5 DFBDLO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000361139661 277137817 /nfs/dbraw/zinc/13/78/17/277137817.db2.gz HFCOTTUTUHYSMZ-XHDPSFHLSA-N 1 2 306.362 2.677 20 5 DFBDLO CC(C)Oc1nc(N[C@@H]2C[C@H](C)n3cc[nH+]c32)ccc1[N+](=O)[O-] ZINC000566482521 430265363 /nfs/dbraw/zinc/26/53/63/430265363.db2.gz OVEFXPQODHGBDK-WDEREUQCSA-N 1 2 317.349 3.091 20 5 DFBDLO Cc1cc(F)ccc1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000548488762 430480606 /nfs/dbraw/zinc/48/06/06/430480606.db2.gz VBWCXRSTASNOPK-UHFFFAOYSA-N 1 2 301.321 2.996 20 5 DFBDLO Cc1cc(F)ccc1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000548488762 430480608 /nfs/dbraw/zinc/48/06/08/430480608.db2.gz VBWCXRSTASNOPK-UHFFFAOYSA-N 1 2 301.321 2.996 20 5 DFBDLO CCn1cc[nH+]c1[C@H](C)Nc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000569940861 430500483 /nfs/dbraw/zinc/50/04/83/430500483.db2.gz IUWPHPPEKHPUOS-NSHDSACASA-N 1 2 319.365 3.167 20 5 DFBDLO CCc1cc(NCCCCc2ccc([N+](=O)[O-])cc2)nc[nH+]1 ZINC000610076605 430564206 /nfs/dbraw/zinc/56/42/06/430564206.db2.gz ZTISELGDIZGLKA-UHFFFAOYSA-N 1 2 300.362 3.382 20 5 DFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](C)C1 ZINC000299595705 278157219 /nfs/dbraw/zinc/15/72/19/278157219.db2.gz FKOGFXPKRNLVKH-NXEZZACHSA-N 1 2 311.769 2.917 20 5 DFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](C)C1 ZINC000299595705 278157220 /nfs/dbraw/zinc/15/72/20/278157220.db2.gz FKOGFXPKRNLVKH-NXEZZACHSA-N 1 2 311.769 2.917 20 5 DFBDLO O=[N+]([O-])c1cc(Cl)cnc1NCCCNc1cccc[nH+]1 ZINC000153592582 289052023 /nfs/dbraw/zinc/05/20/23/289052023.db2.gz FEDCRJGFKMRBFZ-UHFFFAOYSA-N 1 2 307.741 2.952 20 5 DFBDLO C[C@@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H](c2ccco2)C1 ZINC000363355271 289082159 /nfs/dbraw/zinc/08/21/59/289082159.db2.gz FQAGAJCDKNKXAF-NEPJUHHUSA-N 1 2 304.350 2.895 20 5 DFBDLO C[C@@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H](c2ccco2)C1 ZINC000363355271 289082162 /nfs/dbraw/zinc/08/21/62/289082162.db2.gz FQAGAJCDKNKXAF-NEPJUHHUSA-N 1 2 304.350 2.895 20 5 DFBDLO C[C@H](c1ccccc1[N+](=O)[O-])N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000279653864 290266760 /nfs/dbraw/zinc/26/67/60/290266760.db2.gz BWWBTUVYARSPRV-QLFBSQMISA-N 1 2 321.421 2.697 20 5 DFBDLO C[C@H](c1ccccc1[N+](=O)[O-])N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000279653864 290266761 /nfs/dbraw/zinc/26/67/61/290266761.db2.gz BWWBTUVYARSPRV-QLFBSQMISA-N 1 2 321.421 2.697 20 5 DFBDLO CCC[C@]1(C)C(=O)NCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000438471088 297094291 /nfs/dbraw/zinc/09/42/91/297094291.db2.gz RBCXOHBRKQTGSF-BQLWYNFJSA-N 1 2 317.389 2.599 20 5 DFBDLO CCC[C@]1(C)C(=O)NCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000438471088 297094295 /nfs/dbraw/zinc/09/42/95/297094295.db2.gz RBCXOHBRKQTGSF-BQLWYNFJSA-N 1 2 317.389 2.599 20 5 DFBDLO COC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccco1 ZINC000444687405 297244956 /nfs/dbraw/zinc/24/49/56/297244956.db2.gz UYUQQPZLMIFBJC-ZDUSSCGKSA-N 1 2 316.317 2.541 20 5 DFBDLO CCCCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448556188 297342945 /nfs/dbraw/zinc/34/29/45/297342945.db2.gz MVEXBZDCKBIJTO-UHFFFAOYSA-N 1 2 302.334 2.701 20 5 DFBDLO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)C ZINC000448800514 297369606 /nfs/dbraw/zinc/36/96/06/297369606.db2.gz YITLSBPBFTYEDX-CYBMUJFWSA-N 1 2 316.361 2.945 20 5 DFBDLO CCCc1ncc(C[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])o1 ZINC000449613132 297499904 /nfs/dbraw/zinc/49/99/04/297499904.db2.gz QYMGGDLXCFEONH-UHFFFAOYSA-N 1 2 321.333 2.539 20 5 DFBDLO CCC[C@H]1C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450002971 297573790 /nfs/dbraw/zinc/57/37/90/297573790.db2.gz FKNAQNKCLMTJIE-AAEUAGOBSA-N 1 2 314.345 2.699 20 5 DFBDLO CC/C=C/CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000450694347 297670301 /nfs/dbraw/zinc/67/03/01/297670301.db2.gz OFUINACBAIFICP-ONEGZZNKSA-N 1 2 305.378 2.805 20 5 DFBDLO C[C@H]1C[C@H](Nc2nc3sccn3c2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450836354 297697487 /nfs/dbraw/zinc/69/74/87/297697487.db2.gz YRAVUDHEZVBEFO-YUMQZZPRSA-N 1 2 304.335 2.618 20 5 DFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000455331227 298340473 /nfs/dbraw/zinc/34/04/73/298340473.db2.gz KOUQDZZEBNNZFN-SECBINFHSA-N 1 2 321.312 2.833 20 5 DFBDLO Cc1cc(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)ccc1[N+](=O)[O-] ZINC000456350010 298504428 /nfs/dbraw/zinc/50/44/28/298504428.db2.gz HRZSHIPPZAFATH-ZYHUDNBSSA-N 1 2 300.318 2.536 20 5 DFBDLO C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000516870619 300365640 /nfs/dbraw/zinc/36/56/40/300365640.db2.gz ISMWAVGHTKTARZ-NWDGAFQWSA-N 1 2 302.334 2.620 20 5 DFBDLO C[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000533295441 301194587 /nfs/dbraw/zinc/19/45/87/301194587.db2.gz ZYEVVBZXYOHWMM-NXEZZACHSA-N 1 2 311.769 2.917 20 5 DFBDLO C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000533295441 301194588 /nfs/dbraw/zinc/19/45/88/301194588.db2.gz ZYEVVBZXYOHWMM-NXEZZACHSA-N 1 2 311.769 2.917 20 5 DFBDLO Cc1cc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c(C)c[nH+]1 ZINC000534299924 301225841 /nfs/dbraw/zinc/22/58/41/301225841.db2.gz MRUWALVQRZSVIA-UHFFFAOYSA-N 1 2 313.357 2.945 20 5 DFBDLO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)[nH]1 ZINC000537943035 301314323 /nfs/dbraw/zinc/31/43/23/301314323.db2.gz ZCTNOUKKIOYVGO-WDEREUQCSA-N 1 2 303.366 2.996 20 5 DFBDLO COc1cc(C[N@@H+]2CCC[C@H]2C(=O)OC(C)C)ccc1[N+](=O)[O-] ZINC000538712259 301329350 /nfs/dbraw/zinc/32/93/50/301329350.db2.gz YRVSIHLBAKRQHC-AWEZNQCLSA-N 1 2 322.361 2.519 20 5 DFBDLO COc1cc(C[N@H+]2CCC[C@H]2C(=O)OC(C)C)ccc1[N+](=O)[O-] ZINC000538712259 301329351 /nfs/dbraw/zinc/32/93/51/301329351.db2.gz YRVSIHLBAKRQHC-AWEZNQCLSA-N 1 2 322.361 2.519 20 5 DFBDLO Cn1cc[nH+]c1[C@H](NCC(C)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000551242124 301657725 /nfs/dbraw/zinc/65/77/25/301657725.db2.gz QOWWLNULAMHREP-GFCCVEGCSA-N 1 2 310.304 2.663 20 5 DFBDLO CCC(=O)c1ccc(SC[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000563807306 302099930 /nfs/dbraw/zinc/09/99/30/302099930.db2.gz JYFZVNYOWFURLK-GFCCVEGCSA-N 1 2 324.402 2.610 20 5 DFBDLO CCC(=O)c1ccc(SC[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])c1 ZINC000563807306 302099932 /nfs/dbraw/zinc/09/99/32/302099932.db2.gz JYFZVNYOWFURLK-GFCCVEGCSA-N 1 2 324.402 2.610 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000566187033 302266315 /nfs/dbraw/zinc/26/63/15/302266315.db2.gz USOLVCMPNYOUJS-OAHLLOKOSA-N 1 2 306.362 2.604 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000566187033 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Cc1nnsc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000578632240 318274542 /nfs/dbraw/zinc/27/45/42/318274542.db2.gz PEPJEOFSZGRLGH-UHFFFAOYSA-N 1 2 304.375 2.919 20 5 DFBDLO COc1cccc([N+](=O)[O-])c1N1CCC(n2cc[nH+]c2)CC1 ZINC000579055446 318303476 /nfs/dbraw/zinc/30/34/76/318303476.db2.gz KYBQJYNTLOMJKJ-UHFFFAOYSA-N 1 2 302.334 2.641 20 5 DFBDLO CC[C@@H](NC(=O)/C=C\c1ccccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000387945181 323328213 /nfs/dbraw/zinc/32/82/13/323328213.db2.gz XOCXQWSGAOWSLB-QDZRJHCZSA-N 1 2 300.318 2.599 20 5 DFBDLO C[C@@H]1C[C@H](C)CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000331923241 533807637 /nfs/dbraw/zinc/80/76/37/533807637.db2.gz MJVSYHZQKHBDOW-NWDGAFQWSA-N 1 2 314.345 2.651 20 5 DFBDLO CCCn1c(C)nnc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000294949065 528814413 /nfs/dbraw/zinc/81/44/13/528814413.db2.gz APQVAXKZKVSTHR-NSHDSACASA-N 1 2 303.366 2.756 20 5 DFBDLO C[N@H+]1Cc2ccccc2[C@@H](Nc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596175751 398347822 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C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C ZINC000177897427 186201251 /nfs/dbraw/zinc/20/12/51/186201251.db2.gz LGFFHACETGFWMS-NXEZZACHSA-N 1 2 311.769 2.917 20 5 DFBDLO C[C@@H](CO)C1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000593506978 398649390 /nfs/dbraw/zinc/64/93/90/398649390.db2.gz WORYXDNMNJFTOH-LBPRGKRZSA-N 1 2 315.373 2.988 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000597666520 398677424 /nfs/dbraw/zinc/67/74/24/398677424.db2.gz ILDLJHJKZNCREX-LBPRGKRZSA-N 1 2 314.345 2.609 20 5 DFBDLO CCN(CC)C(=O)C[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174811913 198388335 /nfs/dbraw/zinc/38/83/35/198388335.db2.gz SRICRLODEQVEEJ-UHFFFAOYSA-N 1 2 313.785 2.548 20 5 DFBDLO CCN(CC)C(=O)C[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174811913 198388337 /nfs/dbraw/zinc/38/83/37/198388337.db2.gz SRICRLODEQVEEJ-UHFFFAOYSA-N 1 2 313.785 2.548 20 5 DFBDLO COC(=O)C1([N@H+](C)Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000129786586 283028418 /nfs/dbraw/zinc/02/84/18/283028418.db2.gz WPYJZFOKBLINEB-UHFFFAOYSA-N 1 2 306.362 2.903 20 5 DFBDLO COC(=O)C1([N@@H+](C)Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000129786586 283028420 /nfs/dbraw/zinc/02/84/20/283028420.db2.gz WPYJZFOKBLINEB-UHFFFAOYSA-N 1 2 306.362 2.903 20 5 DFBDLO O=c1[nH]ccc2c1C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC2 ZINC000276994424 213227941 /nfs/dbraw/zinc/22/79/41/213227941.db2.gz VFWUQPXUIUNIMC-UHFFFAOYSA-N 1 2 319.748 2.907 20 5 DFBDLO O=c1[nH]ccc2c1C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC2 ZINC000276994424 213227945 /nfs/dbraw/zinc/22/79/45/213227945.db2.gz VFWUQPXUIUNIMC-UHFFFAOYSA-N 1 2 319.748 2.907 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCOC[C@H]3CCOC3)c2c1 ZINC000591146290 398731728 /nfs/dbraw/zinc/73/17/28/398731728.db2.gz XDGIUCSYDIVPGQ-LBPRGKRZSA-N 1 2 317.345 2.608 20 5 DFBDLO CC[C@H](C)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000597977259 398731598 /nfs/dbraw/zinc/73/15/98/398731598.db2.gz IUUKEGIQMZDWHB-LBPRGKRZSA-N 1 2 316.361 2.947 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1[nH+]ccn1CC(C)C ZINC000131381723 283082614 /nfs/dbraw/zinc/08/26/14/283082614.db2.gz JMHQGMGFSOKOBG-UHFFFAOYSA-N 1 2 316.361 2.686 20 5 DFBDLO CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000598233969 398776199 /nfs/dbraw/zinc/77/61/99/398776199.db2.gz SXLZJAYVISUUPS-ZDUSSCGKSA-N 1 2 314.345 2.699 20 5 DFBDLO CCOc1cc(C[N@@H+]2CCC[C@]2(C)C(=O)OC)ccc1[N+](=O)[O-] ZINC000276902424 213164368 /nfs/dbraw/zinc/16/43/68/213164368.db2.gz LXFDSOGKWORMSY-MRXNPFEDSA-N 1 2 322.361 2.521 20 5 DFBDLO CCOc1cc(C[N@H+]2CCC[C@]2(C)C(=O)OC)ccc1[N+](=O)[O-] ZINC000276902424 213164370 /nfs/dbraw/zinc/16/43/70/213164370.db2.gz LXFDSOGKWORMSY-MRXNPFEDSA-N 1 2 322.361 2.521 20 5 DFBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2[nH+]ccn2C)c1 ZINC000598460117 398816514 /nfs/dbraw/zinc/81/65/14/398816514.db2.gz QBIWQEUUPNVQFC-VIFPVBQESA-N 1 2 320.374 2.541 20 5 DFBDLO COc1cccc([N+](=O)[O-])c1NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592816 398826387 /nfs/dbraw/zinc/82/63/87/398826387.db2.gz YKXPGUIRDXBFTH-UPJWGTAASA-N 1 2 323.393 2.513 20 5 DFBDLO COc1cccc([N+](=O)[O-])c1NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592816 398826390 /nfs/dbraw/zinc/82/63/90/398826390.db2.gz YKXPGUIRDXBFTH-UPJWGTAASA-N 1 2 323.393 2.513 20 5 DFBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCCn1cc[nH+]c1 ZINC000276661601 213030749 /nfs/dbraw/zinc/03/07/49/213030749.db2.gz MRSUVPQGOZMDJS-UHFFFAOYSA-N 1 2 322.752 2.573 20 5 DFBDLO CCC[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153082566 283352015 /nfs/dbraw/zinc/35/20/15/283352015.db2.gz CTLJZNTXEHCFEH-CHWSQXEVSA-N 1 2 319.405 2.646 20 5 DFBDLO CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153082566 283352019 /nfs/dbraw/zinc/35/20/19/283352019.db2.gz CTLJZNTXEHCFEH-CHWSQXEVSA-N 1 2 319.405 2.646 20 5 DFBDLO Cc1cc(N[C@@H](C)[C@H](C)CO)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000077227483 398891048 /nfs/dbraw/zinc/89/10/48/398891048.db2.gz RSPVSMLTHUAPRI-PWSUYJOCSA-N 1 2 316.361 2.789 20 5 DFBDLO Cc1cc(N[C@H](C)[C@H](C)CO)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000077227484 398891124 /nfs/dbraw/zinc/89/11/24/398891124.db2.gz RSPVSMLTHUAPRI-ZYHUDNBSSA-N 1 2 316.361 2.789 20 5 DFBDLO Cc1cc(N[C@@H](C)[C@H](C)CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000077227315 398890749 /nfs/dbraw/zinc/89/07/49/398890749.db2.gz PCIJTIGWPCTPFF-PWSUYJOCSA-N 1 2 316.361 2.789 20 5 DFBDLO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)[nH]1 ZINC000595033098 398895156 /nfs/dbraw/zinc/89/51/56/398895156.db2.gz ARUALBPTBXCFKZ-VHSXEESVSA-N 1 2 319.365 2.696 20 5 DFBDLO O=[N+]([O-])c1ccc(NCc2ccc(N3CCOCC3)[nH+]c2)s1 ZINC000054389696 398898896 /nfs/dbraw/zinc/89/88/96/398898896.db2.gz AXXYQUSRTSBUSM-UHFFFAOYSA-N 1 2 320.374 2.500 20 5 DFBDLO Cc1cc(N2CCO[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000054389675 398898922 /nfs/dbraw/zinc/89/89/22/398898922.db2.gz NKINKIBUBUNLFF-GFCCVEGCSA-N 1 2 314.345 2.585 20 5 DFBDLO Cc1c([C@H](C)[NH2+][C@H]2C[C@H](C)n3ncnc32)cccc1[N+](=O)[O-] ZINC000595067302 398901179 /nfs/dbraw/zinc/90/11/79/398901179.db2.gz LPBQNKJTSPRGTG-GAFUQQFSSA-N 1 2 301.350 2.851 20 5 DFBDLO CCn1cc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)nn1 ZINC000595066867 398901279 /nfs/dbraw/zinc/90/12/79/398901279.db2.gz CKWZTMJLFXUHQG-OAHLLOKOSA-N 1 2 315.377 2.718 20 5 DFBDLO CCn1cc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)nn1 ZINC000595066865 398901335 /nfs/dbraw/zinc/90/13/35/398901335.db2.gz CKWZTMJLFXUHQG-HNNXBMFYSA-N 1 2 315.377 2.718 20 5 DFBDLO CC(C)COC[C@@H](O)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599023075 398909131 /nfs/dbraw/zinc/90/91/31/398909131.db2.gz BHSGAMRCUQPWAM-ZDUSSCGKSA-N 1 2 319.361 2.588 20 5 DFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC[C@@H](n2cncn2)C1 ZINC000599039472 398911418 /nfs/dbraw/zinc/91/14/18/398911418.db2.gz IVLOBGHLUOIRCS-CYBMUJFWSA-N 1 2 324.344 2.576 20 5 DFBDLO O=[N+]([O-])c1c(NCC[C@H](O)C(F)(F)F)ccc2c[nH+]ccc21 ZINC000599043909 398912061 /nfs/dbraw/zinc/91/20/61/398912061.db2.gz ONWWYNXXADTANE-NSHDSACASA-N 1 2 315.251 2.868 20 5 DFBDLO Cc1noc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)c1[N+](=O)[O-] ZINC000595289507 398916546 /nfs/dbraw/zinc/91/65/46/398916546.db2.gz SQIQNVWSOPQBGA-UHFFFAOYSA-N 1 2 315.329 2.886 20 5 DFBDLO Cc1noc(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)c1[N+](=O)[O-] ZINC000595289507 398916550 /nfs/dbraw/zinc/91/65/50/398916550.db2.gz SQIQNVWSOPQBGA-UHFFFAOYSA-N 1 2 315.329 2.886 20 5 DFBDLO C[C@@H](Cc1cnn(C)c1)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599083395 398918568 /nfs/dbraw/zinc/91/85/68/398918568.db2.gz LCVUHCBIOIRVTL-NSHDSACASA-N 1 2 311.345 2.920 20 5 DFBDLO C[N@@H+]1CCO[C@@H](CSc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599092692 398920085 /nfs/dbraw/zinc/92/00/85/398920085.db2.gz SCAKRKJHWIAMAN-GFCCVEGCSA-N 1 2 319.386 2.566 20 5 DFBDLO C[N@H+]1CCO[C@@H](CSc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599092692 398920090 /nfs/dbraw/zinc/92/00/90/398920090.db2.gz SCAKRKJHWIAMAN-GFCCVEGCSA-N 1 2 319.386 2.566 20 5 DFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000595311455 398921108 /nfs/dbraw/zinc/92/11/08/398921108.db2.gz KKCUTKHVYVCZNS-ZYHUDNBSSA-N 1 2 322.258 2.622 20 5 DFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000595311455 398921109 /nfs/dbraw/zinc/92/11/09/398921109.db2.gz KKCUTKHVYVCZNS-ZYHUDNBSSA-N 1 2 322.258 2.622 20 5 DFBDLO C[C@@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@@H](C)C1O ZINC000599106199 398922035 /nfs/dbraw/zinc/92/20/35/398922035.db2.gz AXBLGBZVHFVKNG-GHMZBOCLSA-N 1 2 301.346 2.596 20 5 DFBDLO C[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@]1(C)CO ZINC000599111717 398922462 /nfs/dbraw/zinc/92/24/62/398922462.db2.gz QEKFMRWZBNEFBS-MEDUHNTESA-N 1 2 301.346 2.598 20 5 DFBDLO C[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@@]1(C)CO ZINC000599111718 398922495 /nfs/dbraw/zinc/92/24/95/398922495.db2.gz QEKFMRWZBNEFBS-ZBEGNZNMSA-N 1 2 301.346 2.598 20 5 DFBDLO COC(=O)[C@H]1C[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599110915 398922595 /nfs/dbraw/zinc/92/25/95/398922595.db2.gz GLQYTWNRNPOILA-XYPYZODXSA-N 1 2 301.302 2.507 20 5 DFBDLO CCCN1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000189370708 200388559 /nfs/dbraw/zinc/38/85/59/200388559.db2.gz LSVYMRUZNXNOFA-ZDUSSCGKSA-N 1 2 305.378 2.600 20 5 DFBDLO CCCN1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000189370708 200388561 /nfs/dbraw/zinc/38/85/61/200388561.db2.gz LSVYMRUZNXNOFA-ZDUSSCGKSA-N 1 2 305.378 2.600 20 5 DFBDLO Cc1noc(C[N@H+](Cc2ccccc2)[C@H](C)CCO)c1[N+](=O)[O-] ZINC000595413052 398934221 /nfs/dbraw/zinc/93/42/21/398934221.db2.gz XSUBMYYHRQSXET-GFCCVEGCSA-N 1 2 319.361 2.664 20 5 DFBDLO Cc1noc(C[N@@H+](Cc2ccccc2)[C@H](C)CCO)c1[N+](=O)[O-] ZINC000595413052 398934225 /nfs/dbraw/zinc/93/42/25/398934225.db2.gz XSUBMYYHRQSXET-GFCCVEGCSA-N 1 2 319.361 2.664 20 5 DFBDLO Cc1noc(C[N@@H+]2C[C@H](C)C[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000595438695 398938726 /nfs/dbraw/zinc/93/87/26/398938726.db2.gz RZYRSALZWLMZCO-MFKMUULPSA-N 1 2 302.334 2.869 20 5 DFBDLO Cc1noc(C[N@H+]2C[C@H](C)C[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000595438695 398938728 /nfs/dbraw/zinc/93/87/28/398938728.db2.gz RZYRSALZWLMZCO-MFKMUULPSA-N 1 2 302.334 2.869 20 5 DFBDLO CC1(C)C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000595466838 398944686 /nfs/dbraw/zinc/94/46/86/398944686.db2.gz NPZQEONLTOSORH-MRXNPFEDSA-N 1 2 324.352 2.504 20 5 DFBDLO CC1(C)C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000595466838 398944687 /nfs/dbraw/zinc/94/46/87/398944687.db2.gz NPZQEONLTOSORH-MRXNPFEDSA-N 1 2 324.352 2.504 20 5 DFBDLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000595468303 398945186 /nfs/dbraw/zinc/94/51/86/398945186.db2.gz XTQOCJQPDYDUBP-MLGOLLRUSA-N 1 2 324.352 2.504 20 5 DFBDLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000595468303 398945191 /nfs/dbraw/zinc/94/51/91/398945191.db2.gz XTQOCJQPDYDUBP-MLGOLLRUSA-N 1 2 324.352 2.504 20 5 DFBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1Cc1onc(C)c1[N+](=O)[O-] ZINC000595475355 398946570 /nfs/dbraw/zinc/94/65/70/398946570.db2.gz OHDTUJLRUOUYBX-LBPRGKRZSA-N 1 2 319.365 2.835 20 5 DFBDLO CCOC[C@H]1C[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000600201447 399002011 /nfs/dbraw/zinc/00/20/11/399002011.db2.gz LZWKTHLCKWSKHR-OAHLLOKOSA-N 1 2 322.405 2.956 20 5 DFBDLO CCOC[C@H]1C[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000600201447 399002012 /nfs/dbraw/zinc/00/20/12/399002012.db2.gz LZWKTHLCKWSKHR-OAHLLOKOSA-N 1 2 322.405 2.956 20 5 DFBDLO COc1ccc([C@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])c(OC)c1 ZINC000599596814 399025553 /nfs/dbraw/zinc/02/55/53/399025553.db2.gz RVUMHLLGLRIAAH-VIFPVBQESA-N 1 2 321.333 2.759 20 5 DFBDLO C[C@H]1[C@@H](C(F)(F)F)OCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000595784922 399083905 /nfs/dbraw/zinc/08/39/05/399083905.db2.gz KLJYWKGIGPKRLT-GWCFXTLKSA-N 1 2 318.295 2.789 20 5 DFBDLO C[C@H]1[C@@H](C(F)(F)F)OCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000595784922 399083909 /nfs/dbraw/zinc/08/39/09/399083909.db2.gz KLJYWKGIGPKRLT-GWCFXTLKSA-N 1 2 318.295 2.789 20 5 DFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2C[C@H](O)C3(CC3)C2)c1 ZINC000339094492 284135988 /nfs/dbraw/zinc/13/59/88/284135988.db2.gz VAHARBLBOMNSSK-LBPRGKRZSA-N 1 2 316.279 2.570 20 5 DFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2C[C@H](O)C3(CC3)C2)c1 ZINC000339094492 284135989 /nfs/dbraw/zinc/13/59/89/284135989.db2.gz VAHARBLBOMNSSK-LBPRGKRZSA-N 1 2 316.279 2.570 20 5 DFBDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000360556005 284149653 /nfs/dbraw/zinc/14/96/53/284149653.db2.gz FGPMLQLXKSQTMR-NHYWBVRUSA-N 1 2 306.362 2.677 20 5 DFBDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000360556005 284149654 /nfs/dbraw/zinc/14/96/54/284149654.db2.gz FGPMLQLXKSQTMR-NHYWBVRUSA-N 1 2 306.362 2.677 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCn1cc[nH+]c1 ZINC000093900722 193326567 /nfs/dbraw/zinc/32/65/67/193326567.db2.gz QVXSKBZQEFXSTH-UHFFFAOYSA-N 1 2 316.361 2.537 20 5 DFBDLO COCCCNc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000060842536 399144998 /nfs/dbraw/zinc/14/49/98/399144998.db2.gz IHRVGXQIBJNCRD-UHFFFAOYSA-N 1 2 302.334 2.809 20 5 DFBDLO Cc1cc(NCC(C)(C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000264669537 204067672 /nfs/dbraw/zinc/06/76/72/204067672.db2.gz OOZCPHFXGWDDDO-UHFFFAOYSA-N 1 2 302.334 2.543 20 5 DFBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CCc1[nH]cc[nH+]1 ZINC000600839956 399158514 /nfs/dbraw/zinc/15/85/14/399158514.db2.gz ZCCCEKRAJHGWIG-UHFFFAOYSA-N 1 2 316.361 2.688 20 5 DFBDLO C[C@H](Nc1ncnc2c1C[N@H+](C)CC2)c1ccccc1[N+](=O)[O-] ZINC000271699123 209137028 /nfs/dbraw/zinc/13/70/28/209137028.db2.gz NDCLNHANHKGKQU-NSHDSACASA-N 1 2 313.361 2.546 20 5 DFBDLO C[C@H](Nc1ncnc2c1C[N@@H+](C)CC2)c1ccccc1[N+](=O)[O-] ZINC000271699123 209137030 /nfs/dbraw/zinc/13/70/30/209137030.db2.gz NDCLNHANHKGKQU-NSHDSACASA-N 1 2 313.361 2.546 20 5 DFBDLO O=[N+]([O-])c1cc(F)cnc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000601104824 399227512 /nfs/dbraw/zinc/22/75/12/399227512.db2.gz IILORXNGNSHIPC-UHFFFAOYSA-N 1 2 317.324 2.605 20 5 DFBDLO CC[C@H]1C[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H](CC)O1 ZINC000420954510 296217534 /nfs/dbraw/zinc/21/75/34/296217534.db2.gz KBNPGLUHSNMJKO-KBPBESRZSA-N 1 2 308.378 2.993 20 5 DFBDLO O=[N+]([O-])c1sccc1N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000601258028 399264805 /nfs/dbraw/zinc/26/48/05/399264805.db2.gz SZWWSKIKSHTIBV-UHFFFAOYSA-N 1 2 319.386 2.684 20 5 DFBDLO Cc1cccc(CCNc2c3ccccc3ncc2[N+](=O)[O-])[nH+]1 ZINC000487722159 299475494 /nfs/dbraw/zinc/47/54/94/299475494.db2.gz QLKZWSBCRWWYAI-UHFFFAOYSA-N 1 2 308.341 2.923 20 5 DFBDLO Cc1c(Cl)c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)nn1C ZINC000421351075 296246748 /nfs/dbraw/zinc/24/67/48/296246748.db2.gz BJJAGNIATKJVKW-UHFFFAOYSA-N 1 2 322.796 2.965 20 5 DFBDLO Cc1c(Cl)c(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)nn1C ZINC000421351075 296246749 /nfs/dbraw/zinc/24/67/49/296246749.db2.gz BJJAGNIATKJVKW-UHFFFAOYSA-N 1 2 322.796 2.965 20 5 DFBDLO CN(C)c1[nH+]cccc1CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000487912702 299484454 /nfs/dbraw/zinc/48/44/54/299484454.db2.gz GOGDJADYZOOGMA-UHFFFAOYSA-N 1 2 323.356 2.638 20 5 DFBDLO COc1cc[nH+]cc1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421576986 296267532 /nfs/dbraw/zinc/26/75/32/296267532.db2.gz QETIOYQGJAJWHQ-UHFFFAOYSA-N 1 2 315.329 2.545 20 5 DFBDLO CC[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000421588985 296268463 /nfs/dbraw/zinc/26/84/63/296268463.db2.gz IZGMQCJJMKNIMX-LLVKDONJSA-N 1 2 302.334 2.556 20 5 DFBDLO COc1cc2c(nn1)CC[N@@H+]([C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000609257543 399310706 /nfs/dbraw/zinc/31/07/06/399310706.db2.gz ARSYFBOTRZWCGN-NSHDSACASA-N 1 2 314.345 2.513 20 5 DFBDLO COc1cc2c(nn1)CC[N@H+]([C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000609257543 399310708 /nfs/dbraw/zinc/31/07/08/399310708.db2.gz ARSYFBOTRZWCGN-NSHDSACASA-N 1 2 314.345 2.513 20 5 DFBDLO CN(C)c1ccc(Nc2ncnc3ccc([N+](=O)[O-])cc32)c[nH+]1 ZINC000609850115 399333825 /nfs/dbraw/zinc/33/38/25/399333825.db2.gz XPVRKSRUZFGLEI-UHFFFAOYSA-N 1 2 310.317 2.743 20 5 DFBDLO O=[N+]([O-])c1ccc2ncnc(N3CCC(n4cc[nH+]c4)CC3)c2c1 ZINC000609849791 399333836 /nfs/dbraw/zinc/33/38/36/399333836.db2.gz JHLZEQGVLPQDHR-UHFFFAOYSA-N 1 2 324.344 2.576 20 5 DFBDLO O=[N+]([O-])c1cnc(N2CCC[C@@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000609892799 399335318 /nfs/dbraw/zinc/33/53/18/399335318.db2.gz ABBKZBOQMYJOLL-SNVBAGLBSA-N 1 2 307.741 2.681 20 5 DFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC(C)(C)C1 ZINC000104673533 194023995 /nfs/dbraw/zinc/02/39/95/194023995.db2.gz WMYMGQVCBWUIDZ-UHFFFAOYSA-N 1 2 308.378 2.993 20 5 DFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC(C)(C)C1 ZINC000104673533 194023997 /nfs/dbraw/zinc/02/39/97/194023997.db2.gz WMYMGQVCBWUIDZ-UHFFFAOYSA-N 1 2 308.378 2.993 20 5 DFBDLO COC[C@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000284591155 218091639 /nfs/dbraw/zinc/09/16/39/218091639.db2.gz QEIASGFRQXYSGZ-PMGBHYCQSA-N 1 2 320.389 2.734 20 5 DFBDLO COC[C@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000284591155 218091642 /nfs/dbraw/zinc/09/16/42/218091642.db2.gz QEIASGFRQXYSGZ-PMGBHYCQSA-N 1 2 320.389 2.734 20 5 DFBDLO CC(C)C[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000602075123 399391572 /nfs/dbraw/zinc/39/15/72/399391572.db2.gz VVCYJEHXQQSLBZ-HNNXBMFYSA-N 1 2 316.361 2.695 20 5 DFBDLO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2cn(C)nc2[N+](=O)[O-])s1 ZINC000602471863 399452983 /nfs/dbraw/zinc/45/29/83/399452983.db2.gz LUICHZTWYPUHJX-SNVBAGLBSA-N 1 2 323.422 2.849 20 5 DFBDLO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cn(C)nc2[N+](=O)[O-])s1 ZINC000602471863 399452985 /nfs/dbraw/zinc/45/29/85/399452985.db2.gz LUICHZTWYPUHJX-SNVBAGLBSA-N 1 2 323.422 2.849 20 5 DFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]Cc1cc[nH]n1 ZINC000602511569 399464582 /nfs/dbraw/zinc/46/45/82/399464582.db2.gz OQLJRMFMUHCOOE-UHFFFAOYSA-N 1 2 300.240 2.627 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000611398169 399470399 /nfs/dbraw/zinc/47/03/99/399470399.db2.gz IVNDVKMJEUODKT-GFCCVEGCSA-N 1 2 323.418 2.587 20 5 DFBDLO COC(=O)C[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000347371867 285018489 /nfs/dbraw/zinc/01/84/89/285018489.db2.gz QFFDHQRGYCXDAT-WQLSENKSSA-N 1 2 304.346 2.636 20 5 DFBDLO COC(=O)C[N@@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000347371867 285018493 /nfs/dbraw/zinc/01/84/93/285018493.db2.gz QFFDHQRGYCXDAT-WQLSENKSSA-N 1 2 304.346 2.636 20 5 DFBDLO C[C@@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000602779357 399568445 /nfs/dbraw/zinc/56/84/45/399568445.db2.gz DHKGRZVXGPBPKJ-DGCLKSJQSA-N 1 2 304.350 2.895 20 5 DFBDLO C[C@@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000602779357 399568452 /nfs/dbraw/zinc/56/84/52/399568452.db2.gz DHKGRZVXGPBPKJ-DGCLKSJQSA-N 1 2 304.350 2.895 20 5 DFBDLO Cn1cc[nH+]c1[C@H]1N(Cc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000294798964 224229617 /nfs/dbraw/zinc/22/96/17/224229617.db2.gz MRYUGLFJTAWGCB-CQSZACIVSA-N 1 2 300.362 2.911 20 5 DFBDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000271602545 209050310 /nfs/dbraw/zinc/05/03/10/209050310.db2.gz ISKBALDIXYBDMT-SECBINFHSA-N 1 2 312.276 2.893 20 5 DFBDLO Cc1cc(C(=O)Nc2cc(N(C)C)cc[nH+]2)cc([N+](=O)[O-])c1 ZINC000612347273 399629779 /nfs/dbraw/zinc/62/97/79/399629779.db2.gz WSASJAOYCWFWQU-UHFFFAOYSA-N 1 2 300.318 2.617 20 5 DFBDLO CCc1nnc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000289950607 221336954 /nfs/dbraw/zinc/33/69/54/221336954.db2.gz XMBVKZDXPONIEU-UHFFFAOYSA-N 1 2 312.782 2.952 20 5 DFBDLO Cc1cc[nH+]cc1NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000612681739 399703367 /nfs/dbraw/zinc/70/33/67/399703367.db2.gz UNQUMUZOFLNTDQ-UHFFFAOYSA-N 1 2 301.302 2.682 20 5 DFBDLO Cn1ccnc1[C@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000348292311 285476522 /nfs/dbraw/zinc/47/65/22/285476522.db2.gz NHVKTCNAMLPORM-RWMBFGLXSA-N 1 2 322.315 2.661 20 5 DFBDLO C[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000253189389 146224944 /nfs/dbraw/zinc/22/49/44/146224944.db2.gz PDLLXYKLRKSHNH-GMTAPVOTSA-N 1 2 307.350 2.500 20 5 DFBDLO [NH3+][C@@H](CC1CCCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000261987561 146317485 /nfs/dbraw/zinc/31/74/85/146317485.db2.gz BBNMXDUFXUXSHM-LBPRGKRZSA-N 1 2 307.350 2.537 20 5 DFBDLO Cc1sc(C(=O)Nc2ccn3cc[nH+]c3c2)cc1[N+](=O)[O-] ZINC000355299671 147257077 /nfs/dbraw/zinc/25/70/77/147257077.db2.gz AMNFDIRQSVCMPX-UHFFFAOYSA-N 1 2 302.315 2.865 20 5 DFBDLO Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)c(C)[nH+]1 ZINC000357656873 148073995 /nfs/dbraw/zinc/07/39/95/148073995.db2.gz NIOUHLJUBNJDNP-UHFFFAOYSA-N 1 2 303.293 2.927 20 5 DFBDLO O=[N+]([O-])c1ccc(CNCc2cn3c([nH+]2)CCCC3)c(F)c1 ZINC000350624698 286064128 /nfs/dbraw/zinc/06/41/28/286064128.db2.gz BPLBLRWWMPSBIK-UHFFFAOYSA-N 1 2 304.325 2.557 20 5 DFBDLO C[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000361642016 149177577 /nfs/dbraw/zinc/17/75/77/149177577.db2.gz GEJNYPDPHFCLHX-WBMJQRKESA-N 1 2 324.352 2.504 20 5 DFBDLO C[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000361642016 149177579 /nfs/dbraw/zinc/17/75/79/149177579.db2.gz GEJNYPDPHFCLHX-WBMJQRKESA-N 1 2 324.352 2.504 20 5 DFBDLO C[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000361642014 149178271 /nfs/dbraw/zinc/17/82/71/149178271.db2.gz GEJNYPDPHFCLHX-LRDDRELGSA-N 1 2 324.352 2.504 20 5 DFBDLO C[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000361642014 149178275 /nfs/dbraw/zinc/17/82/75/149178275.db2.gz GEJNYPDPHFCLHX-LRDDRELGSA-N 1 2 324.352 2.504 20 5 DFBDLO Cc1cc(N[C@H]2CCCN(c3cccc[nH+]3)C2)ncc1[N+](=O)[O-] ZINC000372316470 150162612 /nfs/dbraw/zinc/16/26/12/150162612.db2.gz NDNPJBOIPFXYQO-ZDUSSCGKSA-N 1 2 313.361 2.774 20 5 DFBDLO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351730548 286204825 /nfs/dbraw/zinc/20/48/25/286204825.db2.gz PPFIJFWMQOPKRZ-SECBINFHSA-N 1 2 316.304 2.647 20 5 DFBDLO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351730548 286204828 /nfs/dbraw/zinc/20/48/28/286204828.db2.gz PPFIJFWMQOPKRZ-SECBINFHSA-N 1 2 316.304 2.647 20 5 DFBDLO Cc1ccc(C(=O)N2CCC[C@@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000378368041 150797329 /nfs/dbraw/zinc/79/73/29/150797329.db2.gz GIPYKMPUUPJZEO-CYBMUJFWSA-N 1 2 314.345 2.614 20 5 DFBDLO Cc1ccc(C(=O)N2CCC[C@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000378368042 150797451 /nfs/dbraw/zinc/79/74/51/150797451.db2.gz GIPYKMPUUPJZEO-ZDUSSCGKSA-N 1 2 314.345 2.614 20 5 DFBDLO COc1cc(C[N@@H+]2CCn3cccc3[C@H]2C)ccc1[N+](=O)[O-] ZINC000351970710 286257472 /nfs/dbraw/zinc/25/74/72/286257472.db2.gz HTAGKSKEVKCXHR-GFCCVEGCSA-N 1 2 301.346 2.982 20 5 DFBDLO COc1cc(C[N@H+]2CCn3cccc3[C@H]2C)ccc1[N+](=O)[O-] ZINC000351970710 286257475 /nfs/dbraw/zinc/25/74/75/286257475.db2.gz HTAGKSKEVKCXHR-GFCCVEGCSA-N 1 2 301.346 2.982 20 5 DFBDLO COCC[N@H+](Cc1ccco1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351971990 286257952 /nfs/dbraw/zinc/25/79/52/286257952.db2.gz YLYIXMSVRADMQN-UHFFFAOYSA-N 1 2 320.345 2.845 20 5 DFBDLO COCC[N@@H+](Cc1ccco1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351971990 286257953 /nfs/dbraw/zinc/25/79/53/286257953.db2.gz YLYIXMSVRADMQN-UHFFFAOYSA-N 1 2 320.345 2.845 20 5 DFBDLO C[N@H+](CC[C@H]1CCCO1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352422957 286369547 /nfs/dbraw/zinc/36/95/47/286369547.db2.gz VUEMHUMPGCEEQC-LLVKDONJSA-N 1 2 300.305 2.874 20 5 DFBDLO C[N@@H+](CC[C@H]1CCCO1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352422957 286369548 /nfs/dbraw/zinc/36/95/48/286369548.db2.gz VUEMHUMPGCEEQC-LLVKDONJSA-N 1 2 300.305 2.874 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000375658645 158845272 /nfs/dbraw/zinc/84/52/72/158845272.db2.gz SFMOPWXXWZZIFU-HNNXBMFYSA-N 1 2 316.361 2.576 20 5 DFBDLO Cc1[nH]ncc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000130745460 196106765 /nfs/dbraw/zinc/10/67/65/196106765.db2.gz KYIABNOFAMXKHK-UHFFFAOYSA-N 1 2 316.361 2.670 20 5 DFBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NC1CCCC1 ZINC000130820686 196113511 /nfs/dbraw/zinc/11/35/11/196113511.db2.gz JJZRTHXAGTWQCF-UHFFFAOYSA-N 1 2 317.389 2.618 20 5 DFBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NC1CCCC1 ZINC000130820686 196113513 /nfs/dbraw/zinc/11/35/13/196113513.db2.gz JJZRTHXAGTWQCF-UHFFFAOYSA-N 1 2 317.389 2.618 20 5 DFBDLO Cc1cc(N2CCN(c3cccc[nH+]3)CC2)c(F)cc1[N+](=O)[O-] ZINC000291037865 222090579 /nfs/dbraw/zinc/09/05/79/222090579.db2.gz XZUYDBXTKATXBJ-UHFFFAOYSA-N 1 2 316.336 2.764 20 5 DFBDLO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccco1 ZINC000008198916 425662689 /nfs/dbraw/zinc/66/26/89/425662689.db2.gz GXMXLTXTZVJRSY-UHFFFAOYSA-N 1 2 323.736 2.912 20 5 DFBDLO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccco1 ZINC000008198916 425662693 /nfs/dbraw/zinc/66/26/93/425662693.db2.gz GXMXLTXTZVJRSY-UHFFFAOYSA-N 1 2 323.736 2.912 20 5 DFBDLO Cc1cc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc[nH+]1 ZINC000126055446 426002595 /nfs/dbraw/zinc/00/25/95/426002595.db2.gz RVEFPKKNWQHBFA-UHFFFAOYSA-N 1 2 323.312 2.736 20 5 DFBDLO C[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCS1 ZINC000171691258 426204677 /nfs/dbraw/zinc/20/46/77/426204677.db2.gz DAXYBBHHPQHRMX-SNVBAGLBSA-N 1 2 320.374 2.582 20 5 DFBDLO C[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCS1 ZINC000171691258 426204679 /nfs/dbraw/zinc/20/46/79/426204679.db2.gz DAXYBBHHPQHRMX-SNVBAGLBSA-N 1 2 320.374 2.582 20 5 DFBDLO C[C@@H]1C[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)O1 ZINC000089882785 426315583 /nfs/dbraw/zinc/31/55/83/426315583.db2.gz UHRMHVHOTMCSHS-VXGBXAGGSA-N 1 2 317.345 2.859 20 5 DFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000119298097 426277307 /nfs/dbraw/zinc/27/73/07/426277307.db2.gz HXXXUYRCFUWUER-NSHDSACASA-N 1 2 324.686 2.747 20 5 DFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000119298097 426277310 /nfs/dbraw/zinc/27/73/10/426277310.db2.gz HXXXUYRCFUWUER-NSHDSACASA-N 1 2 324.686 2.747 20 5 DFBDLO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000154014656 426418507 /nfs/dbraw/zinc/41/85/07/426418507.db2.gz OZLJMAIQTSQPRU-GFCCVEGCSA-N 1 2 320.736 2.696 20 5 DFBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000340707119 269001857 /nfs/dbraw/zinc/00/18/57/269001857.db2.gz GNHGBGQSGHGIKU-UHFFFAOYSA-N 1 2 311.301 2.576 20 5 DFBDLO Cc1noc(C(C)(C)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000341280519 269058518 /nfs/dbraw/zinc/05/85/18/269058518.db2.gz VKNIEFYSROIGLM-VURMDHGXSA-N 1 2 302.334 2.824 20 5 DFBDLO C[C@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000177538757 426493378 /nfs/dbraw/zinc/49/33/78/426493378.db2.gz PHYMDKCNEOHETM-CMPLNLGQSA-N 1 2 320.374 2.576 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(CC(F)F)CC1 ZINC000272354760 426505217 /nfs/dbraw/zinc/50/52/17/426505217.db2.gz RIKHHDGCAKOWNE-GFCCVEGCSA-N 1 2 313.348 2.847 20 5 DFBDLO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1ccn2cc[nH+]c2c1 ZINC000178067497 426565283 /nfs/dbraw/zinc/56/52/83/426565283.db2.gz NRPMDIPDWXKBKC-SNAWJCMRSA-N 1 2 322.324 2.572 20 5 DFBDLO C[C@@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000178287122 426599350 /nfs/dbraw/zinc/59/93/50/426599350.db2.gz DMQSCAXTBQLZDA-GFCCVEGCSA-N 1 2 315.377 2.764 20 5 DFBDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000178341274 426609743 /nfs/dbraw/zinc/60/97/43/426609743.db2.gz CLXRNEIQYCGOLT-AWEZNQCLSA-N 1 2 306.362 2.901 20 5 DFBDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000178341274 426609749 /nfs/dbraw/zinc/60/97/49/426609749.db2.gz CLXRNEIQYCGOLT-AWEZNQCLSA-N 1 2 306.362 2.901 20 5 DFBDLO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000264461437 426557246 /nfs/dbraw/zinc/55/72/46/426557246.db2.gz KPPJAOUWSHXITR-CYBMUJFWSA-N 1 2 313.361 2.632 20 5 DFBDLO Cc1occc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000178724794 426682125 /nfs/dbraw/zinc/68/21/25/426682125.db2.gz SGUCYTIDFDNCAI-NSHDSACASA-N 1 2 317.345 2.955 20 5 DFBDLO Cc1occc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000178724794 426682127 /nfs/dbraw/zinc/68/21/27/426682127.db2.gz SGUCYTIDFDNCAI-NSHDSACASA-N 1 2 317.345 2.955 20 5 DFBDLO C[C@]1(O)CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290065992 426686064 /nfs/dbraw/zinc/68/60/64/426686064.db2.gz TUAMCYCSCDOBEG-LBPRGKRZSA-N 1 2 305.161 2.858 20 5 DFBDLO C[C@]1(O)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290065992 426686067 /nfs/dbraw/zinc/68/60/67/426686067.db2.gz TUAMCYCSCDOBEG-LBPRGKRZSA-N 1 2 305.161 2.858 20 5 DFBDLO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000179336707 426779175 /nfs/dbraw/zinc/77/91/75/426779175.db2.gz FFBPRBTYGFGZHC-HNNXBMFYSA-N 1 2 319.405 2.819 20 5 DFBDLO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000179336707 426779179 /nfs/dbraw/zinc/77/91/79/426779179.db2.gz FFBPRBTYGFGZHC-HNNXBMFYSA-N 1 2 319.405 2.819 20 5 DFBDLO Cc1[nH+]c2ccccc2n1CC(=O)N(C)c1cccc([N+](=O)[O-])c1 ZINC000179019841 426737695 /nfs/dbraw/zinc/73/76/95/426737695.db2.gz QOAUYABEYZMGTO-UHFFFAOYSA-N 1 2 324.340 2.916 20 5 DFBDLO Cc1cc(NCCC(C)(C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000274797460 426838127 /nfs/dbraw/zinc/83/81/27/426838127.db2.gz UETLPHFRIAKINZ-UHFFFAOYSA-N 1 2 316.361 2.933 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCc3ccccc3[C@@H]2CO)cs1 ZINC000268137707 426924994 /nfs/dbraw/zinc/92/49/94/426924994.db2.gz POVSTVRKTYFAAL-AWEZNQCLSA-N 1 2 304.371 2.748 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCc3ccccc3[C@@H]2CO)cs1 ZINC000268137707 426924998 /nfs/dbraw/zinc/92/49/98/426924998.db2.gz POVSTVRKTYFAAL-AWEZNQCLSA-N 1 2 304.371 2.748 20 5 DFBDLO Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000180938742 426900262 /nfs/dbraw/zinc/90/02/62/426900262.db2.gz WTPDKVVHPYVPHH-UHFFFAOYSA-N 1 2 323.312 2.615 20 5 DFBDLO C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000268271374 426972665 /nfs/dbraw/zinc/97/26/65/426972665.db2.gz OWHVBWFWGAVVTK-GXFFZTMASA-N 1 2 321.768 2.927 20 5 DFBDLO COc1cc(NCc2ccc(N(C)C)[nH+]c2)c([N+](=O)[O-])cc1F ZINC000268155804 426931100 /nfs/dbraw/zinc/93/11/00/426931100.db2.gz MBUQJQWZHNJBRU-UHFFFAOYSA-N 1 2 320.324 2.816 20 5 DFBDLO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)[nH]1 ZINC000268424925 427014545 /nfs/dbraw/zinc/01/45/45/427014545.db2.gz DMWIFZBMEKKZTI-GFCCVEGCSA-N 1 2 319.340 2.540 20 5 DFBDLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)[nH]1 ZINC000268424925 427014551 /nfs/dbraw/zinc/01/45/51/427014551.db2.gz DMWIFZBMEKKZTI-GFCCVEGCSA-N 1 2 319.340 2.540 20 5 DFBDLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)n1 ZINC000268424925 427014555 /nfs/dbraw/zinc/01/45/55/427014555.db2.gz DMWIFZBMEKKZTI-GFCCVEGCSA-N 1 2 319.340 2.540 20 5 DFBDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)n1 ZINC000268424925 427014560 /nfs/dbraw/zinc/01/45/60/427014560.db2.gz DMWIFZBMEKKZTI-GFCCVEGCSA-N 1 2 319.340 2.540 20 5 DFBDLO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)n[nH]1 ZINC000268424925 427014565 /nfs/dbraw/zinc/01/45/65/427014565.db2.gz DMWIFZBMEKKZTI-GFCCVEGCSA-N 1 2 319.340 2.540 20 5 DFBDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)n[nH]1 ZINC000268424925 427014569 /nfs/dbraw/zinc/01/45/69/427014569.db2.gz DMWIFZBMEKKZTI-GFCCVEGCSA-N 1 2 319.340 2.540 20 5 DFBDLO C[C@H]([NH2+]Cc1cn(C(C)(C)C)nn1)c1ccc([N+](=O)[O-])cc1 ZINC000296007868 427044092 /nfs/dbraw/zinc/04/40/92/427044092.db2.gz LJBUKNSKGWNHDA-NSHDSACASA-N 1 2 303.366 2.792 20 5 DFBDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000276458060 427072559 /nfs/dbraw/zinc/07/25/59/427072559.db2.gz QHBBFLLGGRWQDX-YVLXSGLVSA-N 1 2 322.336 2.507 20 5 DFBDLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000276458060 427072565 /nfs/dbraw/zinc/07/25/65/427072565.db2.gz QHBBFLLGGRWQDX-YVLXSGLVSA-N 1 2 322.336 2.507 20 5 DFBDLO COC(=O)c1occc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296207510 427111790 /nfs/dbraw/zinc/11/17/90/427111790.db2.gz ZOKHBMYUNBVDEV-JTQLQIEISA-N 1 2 304.302 2.825 20 5 DFBDLO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnnn2C2CC2)cc1[N+](=O)[O-] ZINC000190619175 427147166 /nfs/dbraw/zinc/14/71/66/427147166.db2.gz KPCJOGOBVPUUAT-MNOVXSKESA-N 1 2 316.365 2.636 20 5 DFBDLO CC[C@@H]([NH2+][C@@H](C)c1nnnn1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000190619079 427148231 /nfs/dbraw/zinc/14/82/31/427148231.db2.gz HQCJBXURHNXHJB-IINYFYTJSA-N 1 2 316.365 2.718 20 5 DFBDLO Cc1c([C@H](C)[NH2+]Cc2nnc(C(C)C)[nH]2)cccc1[N+](=O)[O-] ZINC000296337168 427149271 /nfs/dbraw/zinc/14/92/71/427149271.db2.gz HPKMHXSGEJTKGY-NSHDSACASA-N 1 2 303.366 2.996 20 5 DFBDLO Cc1c([C@H](C)[NH2+]Cc2nnc(C3CC3)[nH]2)cccc1[N+](=O)[O-] ZINC000296369703 427160275 /nfs/dbraw/zinc/16/02/75/427160275.db2.gz JEDPLSOMEITCAJ-JTQLQIEISA-N 1 2 301.350 2.750 20 5 DFBDLO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000174179717 271130954 /nfs/dbraw/zinc/13/09/54/271130954.db2.gz ULZPDOYRZKUCOP-UHFFFAOYSA-N 1 2 317.349 2.769 20 5 DFBDLO O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000269861909 271288369 /nfs/dbraw/zinc/28/83/69/271288369.db2.gz JIRMPAMAEPVCAI-LLVKDONJSA-N 1 2 319.752 2.729 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000297570903 271360344 /nfs/dbraw/zinc/36/03/44/271360344.db2.gz GQNCBVJAPBJKGZ-ZWNOBZJWSA-N 1 2 302.334 2.596 20 5 DFBDLO CC[N@H+](Cc1ccncc1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284312151 427179184 /nfs/dbraw/zinc/17/91/84/427179184.db2.gz ZYDKDEXAYAAJLF-UHFFFAOYSA-N 1 2 316.317 2.920 20 5 DFBDLO CC[N@@H+](Cc1ccncc1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284312151 427179189 /nfs/dbraw/zinc/17/91/89/427179189.db2.gz ZYDKDEXAYAAJLF-UHFFFAOYSA-N 1 2 316.317 2.920 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000277385428 427186129 /nfs/dbraw/zinc/18/61/29/427186129.db2.gz YLUDOLCCSUVQSV-BYVOGVQKSA-N 1 2 310.419 2.807 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000277385428 427186135 /nfs/dbraw/zinc/18/61/35/427186135.db2.gz YLUDOLCCSUVQSV-BYVOGVQKSA-N 1 2 310.419 2.807 20 5 DFBDLO CC(C)Cn1ncnc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000183101755 427199014 /nfs/dbraw/zinc/19/90/14/427199014.db2.gz WJLNLKKCIKXCPB-GFCCVEGCSA-N 1 2 303.366 2.693 20 5 DFBDLO CC[C@@H]([NH2+]Cc1oncc1C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000285369928 427209602 /nfs/dbraw/zinc/20/96/02/427209602.db2.gz BYKBGWCYCXPNPY-CYBMUJFWSA-N 1 2 319.317 2.610 20 5 DFBDLO CC(C)(C)[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000330457042 427245431 /nfs/dbraw/zinc/24/54/31/427245431.db2.gz QDYXAANIJGSHBB-ZFWWWQNUSA-N 1 2 308.378 2.529 20 5 DFBDLO CC(C)(C)[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000330457042 427245437 /nfs/dbraw/zinc/24/54/37/427245437.db2.gz QDYXAANIJGSHBB-ZFWWWQNUSA-N 1 2 308.378 2.529 20 5 DFBDLO COC[C@@H]1CC[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000293438899 427326097 /nfs/dbraw/zinc/32/60/97/427326097.db2.gz BUFPNXXPNLYLGB-JTQLQIEISA-N 1 2 315.167 2.578 20 5 DFBDLO COC[C@@H]1CC[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000293438899 427326102 /nfs/dbraw/zinc/32/61/02/427326102.db2.gz BUFPNXXPNLYLGB-JTQLQIEISA-N 1 2 315.167 2.578 20 5 DFBDLO O=[N+]([O-])c1cc(F)ccc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000269875573 427297251 /nfs/dbraw/zinc/29/72/51/427297251.db2.gz PDPQMYFFDPUFES-LBPRGKRZSA-N 1 2 302.309 2.820 20 5 DFBDLO O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000269875571 427297281 /nfs/dbraw/zinc/29/72/81/427297281.db2.gz PDPQMYFFDPUFES-GFCCVEGCSA-N 1 2 302.309 2.820 20 5 DFBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CCC(O)CC3)cs2)c1 ZINC000271025244 427375996 /nfs/dbraw/zinc/37/59/96/427375996.db2.gz FGOCBDTZOFEESK-UHFFFAOYSA-N 1 2 319.386 2.675 20 5 DFBDLO CCC[C@@](C)([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(=O)OC ZINC000184046872 427382180 /nfs/dbraw/zinc/38/21/80/427382180.db2.gz SNMSMWNMMGXQTB-MNDMWVCDSA-N 1 2 306.362 2.929 20 5 DFBDLO COC(=O)[C@H](C)[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCC1 ZINC000191652722 427398825 /nfs/dbraw/zinc/39/88/25/427398825.db2.gz QUPAECAIULUNCN-NSHDSACASA-N 1 2 322.361 2.519 20 5 DFBDLO COC(=O)[C@H](C)[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCC1 ZINC000191652722 427398832 /nfs/dbraw/zinc/39/88/32/427398832.db2.gz QUPAECAIULUNCN-NSHDSACASA-N 1 2 322.361 2.519 20 5 DFBDLO CCOc1cccc(N(C)CCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000184137055 427400452 /nfs/dbraw/zinc/40/04/52/427400452.db2.gz CAMXBNICGICXIO-UHFFFAOYSA-N 1 2 304.350 2.717 20 5 DFBDLO CC[C@@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H](C)[S@@]1=O ZINC000286069853 427415730 /nfs/dbraw/zinc/41/57/30/427415730.db2.gz RUZBTZKWAAEJQF-AVMIBURASA-N 1 2 310.419 2.887 20 5 DFBDLO CC[C@@H]1C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H](C)[S@@]1=O ZINC000286069853 427415737 /nfs/dbraw/zinc/41/57/37/427415737.db2.gz RUZBTZKWAAEJQF-AVMIBURASA-N 1 2 310.419 2.887 20 5 DFBDLO Cc1cc(NCCC[C@@H](C)O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000278971279 427519561 /nfs/dbraw/zinc/51/95/61/427519561.db2.gz ZKBIIRHZEMCPSX-GFCCVEGCSA-N 1 2 316.361 2.933 20 5 DFBDLO COCC[N@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338893948 427545921 /nfs/dbraw/zinc/54/59/21/427545921.db2.gz HQFWVNJODBYYRO-UHFFFAOYSA-N 1 2 316.357 2.949 20 5 DFBDLO COCC[N@@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338893948 427545927 /nfs/dbraw/zinc/54/59/27/427545927.db2.gz HQFWVNJODBYYRO-UHFFFAOYSA-N 1 2 316.357 2.949 20 5 DFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000332232961 427552445 /nfs/dbraw/zinc/55/24/45/427552445.db2.gz PSGUHKITOJDRJS-XUSGNXJCSA-N 1 2 310.419 2.889 20 5 DFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000332232961 427552451 /nfs/dbraw/zinc/55/24/51/427552451.db2.gz PSGUHKITOJDRJS-XUSGNXJCSA-N 1 2 310.419 2.889 20 5 DFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000332232957 427553200 /nfs/dbraw/zinc/55/32/00/427553200.db2.gz PSGUHKITOJDRJS-GTJPDFRWSA-N 1 2 310.419 2.889 20 5 DFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000332232957 427553209 /nfs/dbraw/zinc/55/32/09/427553209.db2.gz PSGUHKITOJDRJS-GTJPDFRWSA-N 1 2 310.419 2.889 20 5 DFBDLO CCC1(CC)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[S@@]1=O ZINC000185262937 427622911 /nfs/dbraw/zinc/62/29/11/427622911.db2.gz SRTLDFIWHFTCMR-NRFANRHFSA-N 1 2 310.419 2.718 20 5 DFBDLO CCC1(CC)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC[S@@]1=O ZINC000185262937 427622917 /nfs/dbraw/zinc/62/29/17/427622917.db2.gz SRTLDFIWHFTCMR-NRFANRHFSA-N 1 2 310.419 2.718 20 5 DFBDLO COc1cc[nH+]cc1COC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000287345457 427582529 /nfs/dbraw/zinc/58/25/29/427582529.db2.gz ZBDIZQJLLAAURU-UHFFFAOYSA-N 1 2 316.313 2.593 20 5 DFBDLO CC(C)c1nnc(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])[nH]1 ZINC000294834584 427659888 /nfs/dbraw/zinc/65/98/88/427659888.db2.gz QHMMIIBDSOVDIZ-UHFFFAOYSA-N 1 2 309.757 2.780 20 5 DFBDLO CCOC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CCC1 ZINC000342381861 272000255 /nfs/dbraw/zinc/00/02/55/272000255.db2.gz VKAGBYZHGSBGJZ-UHFFFAOYSA-N 1 2 322.361 2.521 20 5 DFBDLO CCOC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CCC1 ZINC000342381861 272000256 /nfs/dbraw/zinc/00/02/56/272000256.db2.gz VKAGBYZHGSBGJZ-UHFFFAOYSA-N 1 2 322.361 2.521 20 5 DFBDLO Cc1cccc(CCNc2ncnc3sc([N+](=O)[O-])cc32)[nH+]1 ZINC000343098816 272086635 /nfs/dbraw/zinc/08/66/35/272086635.db2.gz LIAVAZPJUHLRCR-UHFFFAOYSA-N 1 2 315.358 2.958 20 5 DFBDLO CC(C)[C@@H]1CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000343320395 272117439 /nfs/dbraw/zinc/11/74/39/272117439.db2.gz DEHWPXUHXPLZTR-ZDUSSCGKSA-N 1 2 314.345 2.651 20 5 DFBDLO CCOC(=O)C[C@@](C)([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC000339089764 427673089 /nfs/dbraw/zinc/67/30/89/427673089.db2.gz BBOLBPOZEUGIBM-MRXNPFEDSA-N 1 2 324.377 2.758 20 5 DFBDLO C[C@@H]1CC[C@H]1Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000343816742 272225443 /nfs/dbraw/zinc/22/54/43/272225443.db2.gz XKWNHHHRMYKINK-TZMCWYRMSA-N 1 2 305.378 2.637 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000298723119 427685901 /nfs/dbraw/zinc/68/59/01/427685901.db2.gz LJIDWYOXTATCFC-GDBMZVCRSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000298723119 427685904 /nfs/dbraw/zinc/68/59/04/427685904.db2.gz LJIDWYOXTATCFC-GDBMZVCRSA-N 1 2 306.362 2.747 20 5 DFBDLO C[C@H]1C[N@H+](CCSc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000193503408 427697911 /nfs/dbraw/zinc/69/79/11/427697911.db2.gz JLOSVTAZLFPEDZ-JTQLQIEISA-N 1 2 300.355 2.547 20 5 DFBDLO C[C@H]1C[N@@H+](CCSc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000193503408 427697917 /nfs/dbraw/zinc/69/79/17/427697917.db2.gz JLOSVTAZLFPEDZ-JTQLQIEISA-N 1 2 300.355 2.547 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000339153924 427706535 /nfs/dbraw/zinc/70/65/35/427706535.db2.gz IPQRTPYERKAYEQ-USXIJHARSA-N 1 2 320.389 2.816 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000339153924 427706540 /nfs/dbraw/zinc/70/65/40/427706540.db2.gz IPQRTPYERKAYEQ-USXIJHARSA-N 1 2 320.389 2.816 20 5 DFBDLO COC[C@@H](C)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301075669 427773549 /nfs/dbraw/zinc/77/35/49/427773549.db2.gz DBPFTCSSHSNFQI-LLVKDONJSA-N 1 2 302.334 2.807 20 5 DFBDLO CCc1cc(NCCOC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301122531 427776470 /nfs/dbraw/zinc/77/64/70/427776470.db2.gz SONTZADKGLHSBN-UHFFFAOYSA-N 1 2 302.334 2.673 20 5 DFBDLO C[C@H]([C@H](C)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCOCC1 ZINC000301164584 427779427 /nfs/dbraw/zinc/77/94/27/427779427.db2.gz CGLBLZGBBXQSCB-WDEREUQCSA-N 1 2 313.785 2.769 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000301516901 427801682 /nfs/dbraw/zinc/80/16/82/427801682.db2.gz GOVCIKIHAGJSJW-GFCCVEGCSA-N 1 2 320.418 2.517 20 5 DFBDLO O=[N+]([O-])c1cnc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000301654104 427812860 /nfs/dbraw/zinc/81/28/60/427812860.db2.gz UPLBYAZRQMSXKH-LBPRGKRZSA-N 1 2 320.736 2.696 20 5 DFBDLO CNc1ccc(Nc2ncc(Br)cc2[N+](=O)[O-])c[nH+]1 ZINC000301701329 427817103 /nfs/dbraw/zinc/81/71/03/427817103.db2.gz SSNQGRGKRDFFRC-UHFFFAOYSA-N 1 2 324.138 2.933 20 5 DFBDLO Cc1cc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000302751360 427864867 /nfs/dbraw/zinc/86/48/67/427864867.db2.gz HDGRVPVHXPDEKW-HNNXBMFYSA-N 1 2 316.361 2.576 20 5 DFBDLO CC[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000340558177 427878921 /nfs/dbraw/zinc/87/89/21/427878921.db2.gz WBGVBSUHRYEUIM-CYBMUJFWSA-N 1 2 314.345 2.795 20 5 DFBDLO Cc1cc[nH+]cc1N1CCN(c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000359935568 428082512 /nfs/dbraw/zinc/08/25/12/428082512.db2.gz VXWJWFWXZIBHEM-UHFFFAOYSA-N 1 2 312.373 2.933 20 5 DFBDLO O=[N+]([O-])c1cc2ccccc2nc1NCc1cn2ccccc2[nH+]1 ZINC000352356241 428131990 /nfs/dbraw/zinc/13/19/90/428131990.db2.gz LEQKYQBAWVQSQE-UHFFFAOYSA-N 1 2 319.324 3.403 20 5 DFBDLO Cn1nccc1C1=CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000352559143 428148973 /nfs/dbraw/zinc/14/89/73/428148973.db2.gz BMZJLBTVPLVMFV-UHFFFAOYSA-N 1 2 316.336 2.757 20 5 DFBDLO Cn1nccc1C1=CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000352559143 428148978 /nfs/dbraw/zinc/14/89/78/428148978.db2.gz BMZJLBTVPLVMFV-UHFFFAOYSA-N 1 2 316.336 2.757 20 5 DFBDLO Cc1c[nH+]ccc1NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000341692005 428159064 /nfs/dbraw/zinc/15/90/64/428159064.db2.gz DKXNGPIFPYRKFY-LLVKDONJSA-N 1 2 300.318 2.603 20 5 DFBDLO Cc1noc(C)c1C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352706407 428213773 /nfs/dbraw/zinc/21/37/73/428213773.db2.gz NOKZISVJCNYHTQ-UHFFFAOYSA-N 1 2 303.318 2.594 20 5 DFBDLO Cc1noc(C)c1C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352706407 428213777 /nfs/dbraw/zinc/21/37/77/428213777.db2.gz NOKZISVJCNYHTQ-UHFFFAOYSA-N 1 2 303.318 2.594 20 5 DFBDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000352713398 428216520 /nfs/dbraw/zinc/21/65/20/428216520.db2.gz DIKQMXIAIYCHRZ-OAHLLOKOSA-N 1 2 323.368 2.567 20 5 DFBDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000352713398 428216523 /nfs/dbraw/zinc/21/65/23/428216523.db2.gz DIKQMXIAIYCHRZ-OAHLLOKOSA-N 1 2 323.368 2.567 20 5 DFBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCCOc1ccccc1)CC2 ZINC000352998117 428343125 /nfs/dbraw/zinc/34/31/25/428343125.db2.gz BUCWHQYVOMSYCQ-UHFFFAOYSA-N 1 2 313.357 2.817 20 5 DFBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCCOc1ccccc1)CC2 ZINC000352998117 428343131 /nfs/dbraw/zinc/34/31/31/428343131.db2.gz BUCWHQYVOMSYCQ-UHFFFAOYSA-N 1 2 313.357 2.817 20 5 DFBDLO Cc1cc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000371177982 428375627 /nfs/dbraw/zinc/37/56/27/428375627.db2.gz VSSDQGGVBWPCQE-UHFFFAOYSA-N 1 2 314.345 2.646 20 5 DFBDLO Cc1cc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000371177982 428375632 /nfs/dbraw/zinc/37/56/32/428375632.db2.gz VSSDQGGVBWPCQE-UHFFFAOYSA-N 1 2 314.345 2.646 20 5 DFBDLO O=C(CC[N@@H+]1CCC[C@H]1C(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000353187864 428423471 /nfs/dbraw/zinc/42/34/71/428423471.db2.gz FMCIYZLAXWEWBV-LBPRGKRZSA-N 1 2 313.304 2.653 20 5 DFBDLO O=C(CC[N@H+]1CCC[C@H]1C(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000353187864 428423477 /nfs/dbraw/zinc/42/34/77/428423477.db2.gz FMCIYZLAXWEWBV-LBPRGKRZSA-N 1 2 313.304 2.653 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000372701544 428491045 /nfs/dbraw/zinc/49/10/45/428491045.db2.gz JZVFBVVXUVZBAI-ZDUSSCGKSA-N 1 2 322.315 2.944 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000372701544 428491049 /nfs/dbraw/zinc/49/10/49/428491049.db2.gz JZVFBVVXUVZBAI-ZDUSSCGKSA-N 1 2 322.315 2.944 20 5 DFBDLO Cc1cc(NCc2cccc(-c3[nH+]ccn3C)c2)ncc1[N+](=O)[O-] ZINC000373150215 428521440 /nfs/dbraw/zinc/52/14/40/428521440.db2.gz FRAPIFQTLAWASH-UHFFFAOYSA-N 1 2 323.356 3.311 20 5 DFBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000374857567 428765207 /nfs/dbraw/zinc/76/52/07/428765207.db2.gz SGGVXWHMWXARID-GFCCVEGCSA-N 1 2 301.306 2.687 20 5 DFBDLO O=C(C[N@@H+]1CC[C@@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000348539346 428776663 /nfs/dbraw/zinc/77/66/63/428776663.db2.gz MGNBEPAZDNQURZ-OAHLLOKOSA-N 1 2 311.341 2.980 20 5 DFBDLO O=C(C[N@H+]1CC[C@@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000348539346 428776668 /nfs/dbraw/zinc/77/66/68/428776668.db2.gz MGNBEPAZDNQURZ-OAHLLOKOSA-N 1 2 311.341 2.980 20 5 DFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3nc[nH]n3)CC2)c(Cl)c1 ZINC000374708747 428737372 /nfs/dbraw/zinc/73/73/72/428737372.db2.gz CFLDYEJMHDPQOF-UHFFFAOYSA-N 1 2 321.768 2.746 20 5 DFBDLO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H](C)C(=O)OCC ZINC000411642064 428830006 /nfs/dbraw/zinc/83/00/06/428830006.db2.gz DOKMIMCJJNDUFN-GFCCVEGCSA-N 1 2 324.377 2.767 20 5 DFBDLO CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H](C)C(=O)OCC ZINC000411642064 428830011 /nfs/dbraw/zinc/83/00/11/428830011.db2.gz DOKMIMCJJNDUFN-GFCCVEGCSA-N 1 2 324.377 2.767 20 5 DFBDLO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H](C)C(=O)OCC ZINC000411642065 428831047 /nfs/dbraw/zinc/83/10/47/428831047.db2.gz DOKMIMCJJNDUFN-LBPRGKRZSA-N 1 2 324.377 2.767 20 5 DFBDLO CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H](C)C(=O)OCC ZINC000411642065 428831050 /nfs/dbraw/zinc/83/10/50/428831050.db2.gz DOKMIMCJJNDUFN-LBPRGKRZSA-N 1 2 324.377 2.767 20 5 DFBDLO Cc1[nH+]cccc1Cc1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000345532874 428924378 /nfs/dbraw/zinc/92/43/78/428924378.db2.gz INFJLBUTHXKVPF-UHFFFAOYSA-N 1 2 310.313 2.863 20 5 DFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000433036479 428983251 /nfs/dbraw/zinc/98/32/51/428983251.db2.gz VQCONSDHCVPJJN-UQKMRVKQSA-N 1 2 322.430 2.841 20 5 DFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000433036479 428983262 /nfs/dbraw/zinc/98/32/62/428983262.db2.gz VQCONSDHCVPJJN-UQKMRVKQSA-N 1 2 322.430 2.841 20 5 DFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000433036478 428984328 /nfs/dbraw/zinc/98/43/28/428984328.db2.gz VQCONSDHCVPJJN-RVECCSLWSA-N 1 2 322.430 2.841 20 5 DFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000433036478 428984333 /nfs/dbraw/zinc/98/43/33/428984333.db2.gz VQCONSDHCVPJJN-RVECCSLWSA-N 1 2 322.430 2.841 20 5 DFBDLO CC(C)CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000349543798 429002872 /nfs/dbraw/zinc/00/28/72/429002872.db2.gz HMIPERISQLIUMO-UHFFFAOYSA-N 1 2 307.394 2.885 20 5 DFBDLO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000423719575 429004471 /nfs/dbraw/zinc/00/44/71/429004471.db2.gz CKEGTMDXGIBVIM-VXGBXAGGSA-N 1 2 307.350 2.537 20 5 DFBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC=C(C)C2)c([N+](=O)[O-])c1 ZINC000436263478 429191325 /nfs/dbraw/zinc/19/13/25/429191325.db2.gz UKTDRLQFCQQBOE-LBPRGKRZSA-N 1 2 319.361 2.582 20 5 DFBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC=C(C)C2)c([N+](=O)[O-])c1 ZINC000436263478 429191327 /nfs/dbraw/zinc/19/13/27/429191327.db2.gz UKTDRLQFCQQBOE-LBPRGKRZSA-N 1 2 319.361 2.582 20 5 DFBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1cccc(F)c1[N+](=O)[O-] ZINC000365485508 429328553 /nfs/dbraw/zinc/32/85/53/429328553.db2.gz UYQXXPOXKOTSJA-UHFFFAOYSA-N 1 2 304.325 2.903 20 5 DFBDLO Cc1cc(N)nc(SCc2c(F)cc([N+](=O)[O-])cc2F)[nH+]1 ZINC000505444054 429340471 /nfs/dbraw/zinc/34/04/71/429340471.db2.gz NYJOUWVIFNRRLK-UHFFFAOYSA-N 1 2 312.301 2.846 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1c[nH+]c(C)cc1C ZINC000456854114 429356168 /nfs/dbraw/zinc/35/61/68/429356168.db2.gz YOFVQUAHQVNSNO-UHFFFAOYSA-N 1 2 315.329 2.545 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCCC[C@@H]2C2(O)CC2)c(F)c1 ZINC000519870227 429497872 /nfs/dbraw/zinc/49/78/72/429497872.db2.gz SVAMZBFWHQRVBY-CQSZACIVSA-N 1 2 312.316 2.752 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCCC[C@@H]2C2(O)CC2)c(F)c1 ZINC000519870227 429497874 /nfs/dbraw/zinc/49/78/74/429497874.db2.gz SVAMZBFWHQRVBY-CQSZACIVSA-N 1 2 312.316 2.752 20 5 DFBDLO CC[C@@H]1C(=O)N(CC)CC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000428439330 429522261 /nfs/dbraw/zinc/52/22/61/429522261.db2.gz CFGUGMHUCCSDFW-SOIVGHGOSA-N 1 2 317.389 2.551 20 5 DFBDLO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000428439330 429522265 /nfs/dbraw/zinc/52/22/65/429522265.db2.gz CFGUGMHUCCSDFW-SOIVGHGOSA-N 1 2 317.389 2.551 20 5 DFBDLO CCC[C@@H]1C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450002972 429553375 /nfs/dbraw/zinc/55/33/75/429553375.db2.gz FKNAQNKCLMTJIE-DGCLKSJQSA-N 1 2 314.345 2.699 20 5 DFBDLO COC(=O)c1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(C)o1 ZINC000522085814 429579979 /nfs/dbraw/zinc/57/99/79/429579979.db2.gz NJTMNCUWERMFNQ-UHFFFAOYSA-N 1 2 318.329 2.915 20 5 DFBDLO COC(=O)c1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(C)o1 ZINC000522085814 429579982 /nfs/dbraw/zinc/57/99/82/429579982.db2.gz NJTMNCUWERMFNQ-UHFFFAOYSA-N 1 2 318.329 2.915 20 5 DFBDLO O=C(C=Cc1c[nH]c[nH+]1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000492760881 429610647 /nfs/dbraw/zinc/61/06/47/429610647.db2.gz FCKZXKAQTVLXFY-DAXSKMNVSA-N 1 2 312.329 2.522 20 5 DFBDLO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c1 ZINC000450828041 429709146 /nfs/dbraw/zinc/70/91/46/429709146.db2.gz JDOFPKXHHUKFPW-BXKDBHETSA-N 1 2 316.317 2.696 20 5 DFBDLO C[C@@H]1C[C@H](NC(=O)/C=C\c2ccccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000493198357 429710010 /nfs/dbraw/zinc/71/00/10/429710010.db2.gz ZPNVPJHGKOGFRA-YXZYKRAASA-N 1 2 312.329 2.627 20 5 DFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493242871 429718964 /nfs/dbraw/zinc/71/89/64/429718964.db2.gz WAXHVGDHZXWQNM-OJIASSBASA-N 1 2 314.345 2.702 20 5 DFBDLO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H](C)c1cccc(O)c1 ZINC000494580868 429881256 /nfs/dbraw/zinc/88/12/56/429881256.db2.gz SINKDAXKTNAONA-NSHDSACASA-N 1 2 304.350 2.617 20 5 DFBDLO CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H](C)c1cccc(O)c1 ZINC000494580868 429881257 /nfs/dbraw/zinc/88/12/57/429881257.db2.gz SINKDAXKTNAONA-NSHDSACASA-N 1 2 304.350 2.617 20 5 DFBDLO O=[N+]([O-])c1cnn([C@H]2CCCN(c3[nH]c4ccccc4[nH+]3)C2)c1 ZINC000369010259 429907528 /nfs/dbraw/zinc/90/75/28/429907528.db2.gz PPMARNJPSVNJMS-NSHDSACASA-N 1 2 312.333 2.509 20 5 DFBDLO O=[N+]([O-])c1ccc2[nH]cc(CCNc3cc[nH+]c(C4CC4)n3)c2c1 ZINC000561377845 430087659 /nfs/dbraw/zinc/08/76/59/430087659.db2.gz CUSTTXFZKJJTMQ-UHFFFAOYSA-N 1 2 323.356 3.398 20 5 DFBDLO Cc1cc(N[C@H]2C[C@@H]2C(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000561435082 430089556 /nfs/dbraw/zinc/08/95/56/430089556.db2.gz JNQBFRBQEJMLLR-RYUDHWBXSA-N 1 2 320.299 2.848 20 5 DFBDLO Cc1c(C[N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])cnn1C ZINC000562498762 430138334 /nfs/dbraw/zinc/13/83/34/430138334.db2.gz AMJIYMXTAPNJGR-UHFFFAOYSA-N 1 2 308.769 2.922 20 5 DFBDLO Cc1c(C[N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])cnn1C ZINC000562498762 430138336 /nfs/dbraw/zinc/13/83/36/430138336.db2.gz AMJIYMXTAPNJGR-UHFFFAOYSA-N 1 2 308.769 2.922 20 5 DFBDLO C[C@@H](c1nccs1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000274274947 277654243 /nfs/dbraw/zinc/65/42/43/277654243.db2.gz GDSAWSMKDWMJAB-LBPRGKRZSA-N 1 2 318.402 2.935 20 5 DFBDLO CCc1cc(NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)nc[nH+]1 ZINC000588864508 430484058 /nfs/dbraw/zinc/48/40/58/430484058.db2.gz LNZHGGPEBGXLCW-UHFFFAOYSA-N 1 2 311.345 3.083 20 5 DFBDLO Cc1c[nH+]ccc1CCNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000594568903 430501546 /nfs/dbraw/zinc/50/15/46/430501546.db2.gz PCKJMYPCFPBPMH-UHFFFAOYSA-N 1 2 316.361 3.135 20 5 DFBDLO COC(=O)[C@H](CC(C)C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000552068570 430583917 /nfs/dbraw/zinc/58/39/17/430583917.db2.gz TWEGMQDFIASNIZ-HNNXBMFYSA-N 1 2 306.362 2.541 20 5 DFBDLO COC(=O)[C@H](CC(C)C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000552068570 430583920 /nfs/dbraw/zinc/58/39/20/430583920.db2.gz TWEGMQDFIASNIZ-HNNXBMFYSA-N 1 2 306.362 2.541 20 5 DFBDLO CCN1CCN(c2cc(C)ccc2[N+](=O)[O-])C[C@H]1c1[nH]cc[nH+]1 ZINC000359996289 279373407 /nfs/dbraw/zinc/37/34/07/279373407.db2.gz WBIWXHBLRRALKT-HNNXBMFYSA-N 1 2 315.377 2.510 20 5 DFBDLO O=[N+]([O-])c1ccc(F)cc1N1CCCN(c2cccc[nH+]2)CC1 ZINC000302814713 280365293 /nfs/dbraw/zinc/36/52/93/280365293.db2.gz KHQXIBPRSVLQFX-UHFFFAOYSA-N 1 2 316.336 2.846 20 5 DFBDLO CC(C)c1[nH+]ccn1CCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000089541154 280680380 /nfs/dbraw/zinc/68/03/80/280680380.db2.gz QNOMGJBSVMEOFW-UHFFFAOYSA-N 1 2 318.333 2.649 20 5 DFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@H](C)C1 ZINC000299645765 289380150 /nfs/dbraw/zinc/38/01/50/289380150.db2.gz NNOXNLBWBPYMJC-NXEZZACHSA-N 1 2 311.769 2.917 20 5 DFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@H](C)C1 ZINC000299645765 289380153 /nfs/dbraw/zinc/38/01/53/289380153.db2.gz NNOXNLBWBPYMJC-NXEZZACHSA-N 1 2 311.769 2.917 20 5 DFBDLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355786513 290229316 /nfs/dbraw/zinc/22/93/16/290229316.db2.gz MVYRYORGKZHKFS-SECBINFHSA-N 1 2 310.304 2.800 20 5 DFBDLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355786513 290229320 /nfs/dbraw/zinc/22/93/20/290229320.db2.gz MVYRYORGKZHKFS-SECBINFHSA-N 1 2 310.304 2.800 20 5 DFBDLO C[NH+](C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436947515 297047354 /nfs/dbraw/zinc/04/73/54/297047354.db2.gz FAQVQZRZSSJZLB-UHFFFAOYSA-N 1 2 315.329 2.614 20 5 DFBDLO CCN1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000157426696 295348025 /nfs/dbraw/zinc/34/80/25/295348025.db2.gz LTICRUPSVITNCM-UHFFFAOYSA-N 1 2 315.373 2.992 20 5 DFBDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000158664101 295365995 /nfs/dbraw/zinc/36/59/95/295365995.db2.gz XVCYDQWPOGCNJK-AATRIKPKSA-N 1 2 304.281 2.602 20 5 DFBDLO CC[C@@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1[nH]cc[nH+]1 ZINC000442804226 297207532 /nfs/dbraw/zinc/20/75/32/297207532.db2.gz VWWBITOLEBYECB-TVQRCGJNSA-N 1 2 320.324 2.828 20 5 DFBDLO COCC[N@H+](Cc1cncs1)Cc1ccccc1[N+](=O)[O-] ZINC000447852306 297321265 /nfs/dbraw/zinc/32/12/65/297321265.db2.gz ZQPGZIDCEHHTKK-UHFFFAOYSA-N 1 2 307.375 2.700 20 5 DFBDLO COCC[N@@H+](Cc1cncs1)Cc1ccccc1[N+](=O)[O-] ZINC000447852306 297321266 /nfs/dbraw/zinc/32/12/66/297321266.db2.gz ZQPGZIDCEHHTKK-UHFFFAOYSA-N 1 2 307.375 2.700 20 5 DFBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCCCCC1 ZINC000448557631 297343078 /nfs/dbraw/zinc/34/30/78/297343078.db2.gz RHXWYWAKQNWZJT-UHFFFAOYSA-N 1 2 314.345 2.797 20 5 DFBDLO CC(C)([NH2+]Cc1cccc([N+](=O)[O-])c1)c1nnc2n1CCCC2 ZINC000449458974 297471459 /nfs/dbraw/zinc/47/14/59/297471459.db2.gz JUNKTPMNUFZRQV-UHFFFAOYSA-N 1 2 315.377 2.548 20 5 DFBDLO CCn1cc[nH+]c1[C@@H](C)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000450825907 297695853 /nfs/dbraw/zinc/69/58/53/297695853.db2.gz FWCIVXSYUULHRE-SNVBAGLBSA-N 1 2 312.333 2.928 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457289344 298690076 /nfs/dbraw/zinc/69/00/76/298690076.db2.gz KKXNOYPDZRSYDA-UHFFFAOYSA-N 1 2 320.374 2.674 20 5 DFBDLO Cc1cc(C)c(CNC(=O)NCc2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000515129759 300291418 /nfs/dbraw/zinc/29/14/18/300291418.db2.gz LELUZGOPHSAJJR-UHFFFAOYSA-N 1 2 314.345 2.606 20 5 DFBDLO Cc1cc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c(C)c[nH+]1 ZINC000535748603 301258072 /nfs/dbraw/zinc/25/80/72/301258072.db2.gz SGSBEPHSVVESIS-UHFFFAOYSA-N 1 2 305.721 2.934 20 5 DFBDLO Cn1cc[nH+]c1[C@@H](NCC(C)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000551242125 301657914 /nfs/dbraw/zinc/65/79/14/301657914.db2.gz QOWWLNULAMHREP-LBPRGKRZSA-N 1 2 310.304 2.663 20 5 DFBDLO C[C@H](CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C)n1cc[nH+]c1 ZINC000565367490 302221616 /nfs/dbraw/zinc/22/16/16/302221616.db2.gz KTUOQPZCULEZLF-VXGBXAGGSA-N 1 2 314.345 2.720 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000566187029 302265922 /nfs/dbraw/zinc/26/59/22/302265922.db2.gz USOLVCMPNYOUJS-HNNXBMFYSA-N 1 2 306.362 2.604 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000566187029 302265924 /nfs/dbraw/zinc/26/59/24/302265924.db2.gz USOLVCMPNYOUJS-HNNXBMFYSA-N 1 2 306.362 2.604 20 5 DFBDLO COc1cc(C[N@@H+]2C[C@H](C)OC3(CCC3)C2)c([N+](=O)[O-])cc1F ZINC000566559614 302295460 /nfs/dbraw/zinc/29/54/60/302295460.db2.gz MSIDRNVILHKZMA-NSHDSACASA-N 1 2 324.352 2.886 20 5 DFBDLO COc1cc(C[N@H+]2C[C@H](C)OC3(CCC3)C2)c([N+](=O)[O-])cc1F ZINC000566559614 302295461 /nfs/dbraw/zinc/29/54/61/302295461.db2.gz MSIDRNVILHKZMA-NSHDSACASA-N 1 2 324.352 2.886 20 5 DFBDLO Cc1cnc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000268296193 302352558 /nfs/dbraw/zinc/35/25/58/302352558.db2.gz WOQFZXBSULPJBO-JSGCOSHPSA-N 1 2 301.350 2.582 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3C[C@@H]4CC[C@@H](O)C[C@@H]4C3)c2c1 ZINC000572463117 302663591 /nfs/dbraw/zinc/66/35/91/302663591.db2.gz DAFFQPLOLLAPLQ-GZBFAFLISA-N 1 2 313.357 2.740 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCSC[C@@H]1c1cccs1 ZINC000370054531 303019367 /nfs/dbraw/zinc/01/93/67/303019367.db2.gz BMWKMGSYJFSMIJ-LLVKDONJSA-N 1 2 324.431 2.680 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCSC[C@@H]1c1cccs1 ZINC000370054531 303019369 /nfs/dbraw/zinc/01/93/69/303019369.db2.gz BMWKMGSYJFSMIJ-LLVKDONJSA-N 1 2 324.431 2.680 20 5 DFBDLO O=[N+]([O-])c1ccc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000267285736 304802896 /nfs/dbraw/zinc/80/28/96/304802896.db2.gz PWWQVXQGWUJDFO-GFCCVEGCSA-N 1 2 317.305 2.958 20 5 DFBDLO C[C@@H](Cc1nc(-c2ccc([N+](=O)[O-])s2)no1)n1cc[nH+]c1 ZINC000351506336 316520490 /nfs/dbraw/zinc/52/04/90/316520490.db2.gz LGZCOONVEHZROY-QMMMGPOBSA-N 1 2 305.319 2.707 20 5 DFBDLO CC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(F)F ZINC000452254964 317125778 /nfs/dbraw/zinc/12/57/78/317125778.db2.gz ZUDBMIMSXLOEJB-JTQLQIEISA-N 1 2 324.287 2.554 20 5 DFBDLO CC(C)[C@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000559039838 317888313 /nfs/dbraw/zinc/88/83/13/317888313.db2.gz YJTHJPRMGVBHRK-RISCZKNCSA-N 1 2 316.361 2.935 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@@H](O)CC23CCC3)c(F)c1 ZINC000578003863 318231407 /nfs/dbraw/zinc/23/14/07/318231407.db2.gz RYXLRCQBRSEBTC-LLVKDONJSA-N 1 2 312.316 2.752 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@@H](O)CC23CCC3)c(F)c1 ZINC000578003863 318231410 /nfs/dbraw/zinc/23/14/10/318231410.db2.gz RYXLRCQBRSEBTC-LLVKDONJSA-N 1 2 312.316 2.752 20 5 DFBDLO C[C@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@H]1C ZINC000578425399 318259659 /nfs/dbraw/zinc/25/96/59/318259659.db2.gz PZGTUDSYYAJMGA-OKILXGFUSA-N 1 2 319.405 2.519 20 5 DFBDLO COc1cc(C[NH2+][C@@H](C)c2cscn2)c([N+](=O)[O-])cc1O ZINC000578523451 318267420 /nfs/dbraw/zinc/26/74/20/318267420.db2.gz CPLPWHGZRJBLRS-QMMMGPOBSA-N 1 2 309.347 2.616 20 5 DFBDLO CC[C@@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000387945178 323327971 /nfs/dbraw/zinc/32/79/71/323327971.db2.gz XOCXQWSGAOWSLB-ABZNLYFFSA-N 1 2 300.318 2.599 20 5 DFBDLO CNc1ccc(C(=O)Nc2ccc(C)[nH+]c2C)cc1[N+](=O)[O-] ZINC000388474485 323331316 /nfs/dbraw/zinc/33/13/16/323331316.db2.gz JGKKTSJYJPQPBB-UHFFFAOYSA-N 1 2 300.318 2.901 20 5 DFBDLO COc1cc(CNc2ccc3c([nH+]2)CCC3)cc([N+](=O)[O-])c1O ZINC000294984231 533912408 /nfs/dbraw/zinc/91/24/08/533912408.db2.gz YMXLQVGEKDFHAU-UHFFFAOYSA-N 1 2 315.329 2.805 20 5 DFBDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000158024283 523707480 /nfs/dbraw/zinc/70/74/80/523707480.db2.gz ZQZIMKXETXVQDS-BMFZPTHFSA-N 1 2 324.352 2.502 20 5 DFBDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)[C@@H]2C1 ZINC000158024283 523707485 /nfs/dbraw/zinc/70/74/85/523707485.db2.gz ZQZIMKXETXVQDS-BMFZPTHFSA-N 1 2 324.352 2.502 20 5 DFBDLO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000324211569 528119055 /nfs/dbraw/zinc/11/90/55/528119055.db2.gz STQNNRDLEPFDAQ-LBPRGKRZSA-N 1 2 323.393 2.541 20 5 DFBDLO Cc1[nH+]c2n(c1C)CCN(c1ccc([N+](=O)[O-])c3cccnc31)C2 ZINC000368962352 282096375 /nfs/dbraw/zinc/09/63/75/282096375.db2.gz XUHKNALNKQSODP-UHFFFAOYSA-N 1 2 323.356 2.977 20 5 DFBDLO O=[N+]([O-])c1ccc2[nH]c(N[C@@H]3CCN(c4cccc[nH+]4)C3)nc2c1 ZINC000278533637 214218397 /nfs/dbraw/zinc/21/83/97/214218397.db2.gz ULRSWTWIQRKFFN-LLVKDONJSA-N 1 2 324.344 2.557 20 5 DFBDLO CC(=O)N1CCC(Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413028695 295669372 /nfs/dbraw/zinc/66/93/72/295669372.db2.gz DNRZHIHNZONFAU-UHFFFAOYSA-N 1 2 314.345 2.566 20 5 DFBDLO CC[C@H](CO)N(C)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000295008112 529383765 /nfs/dbraw/zinc/38/37/65/529383765.db2.gz SOMMPQCWXSHKIR-CYBMUJFWSA-N 1 2 316.361 2.567 20 5 DFBDLO CC[C@@H](CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)C(=O)OC ZINC000591974156 398366439 /nfs/dbraw/zinc/36/64/39/398366439.db2.gz KGXZYTAETMLVLE-JTQLQIEISA-N 1 2 303.318 2.754 20 5 DFBDLO CCn1cc[nH+]c1CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000296651180 529575893 /nfs/dbraw/zinc/57/58/93/529575893.db2.gz FJBXEZDGVOUXHH-UHFFFAOYSA-N 1 2 321.312 2.580 20 5 DFBDLO C[C@H](O)C[C@H]1CCCN1c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413201903 295685763 /nfs/dbraw/zinc/68/57/63/295685763.db2.gz KWOOONGNOSSMCC-WCQYABFASA-N 1 2 301.346 2.883 20 5 DFBDLO Cn1c[nH+]cc1CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000090166341 185284297 /nfs/dbraw/zinc/28/42/97/185284297.db2.gz XQNJFSZCXOGVOZ-UHFFFAOYSA-N 1 2 311.139 2.703 20 5 DFBDLO CON1CCC(N(C)c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413360675 295701463 /nfs/dbraw/zinc/70/14/63/295701463.db2.gz JGEDYVOEWGKELZ-UHFFFAOYSA-N 1 2 316.361 2.605 20 5 DFBDLO Cc1cc(NCC[N@H+]2C[C@@H](C)OC[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000596432842 398410733 /nfs/dbraw/zinc/41/07/33/398410733.db2.gz TXKSEYNHIMIFLL-VXGBXAGGSA-N 1 2 311.357 2.563 20 5 DFBDLO Cc1cc(NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000596432842 398410737 /nfs/dbraw/zinc/41/07/37/398410737.db2.gz TXKSEYNHIMIFLL-VXGBXAGGSA-N 1 2 311.357 2.563 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000023706814 398426008 /nfs/dbraw/zinc/42/60/08/398426008.db2.gz VRVBFIMGLSUVRB-LBPRGKRZSA-N 1 2 301.346 2.982 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCn2cccc2[C@@H]1C ZINC000023706814 398426011 /nfs/dbraw/zinc/42/60/11/398426011.db2.gz VRVBFIMGLSUVRB-LBPRGKRZSA-N 1 2 301.346 2.982 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@H](CO)CC3CC3)c2c1 ZINC000596490995 398428381 /nfs/dbraw/zinc/42/83/81/398428381.db2.gz BYTCEBWLWLLDRZ-GFCCVEGCSA-N 1 2 301.346 2.964 20 5 DFBDLO CN(Cc1[nH+]ccn1C)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000299404902 530027618 /nfs/dbraw/zinc/02/76/18/530027618.db2.gz DSAIPAQSTUQDMW-UHFFFAOYSA-N 1 2 314.267 2.984 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCSC[C@@H]2CCO)c(Cl)c1 ZINC000330819471 232090485 /nfs/dbraw/zinc/09/04/85/232090485.db2.gz SIGFZUHABKCWIH-LBPRGKRZSA-N 1 2 316.810 2.548 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCSC[C@@H]2CCO)c(Cl)c1 ZINC000330819471 232090488 /nfs/dbraw/zinc/09/04/88/232090488.db2.gz SIGFZUHABKCWIH-LBPRGKRZSA-N 1 2 316.810 2.548 20 5 DFBDLO CN(C)c1[nH+]cccc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000060558965 282443992 /nfs/dbraw/zinc/44/39/92/282443992.db2.gz KJHVPXLQDPYIKU-UHFFFAOYSA-N 1 2 320.736 2.962 20 5 DFBDLO C[C@H](Nc1ccc(N(C)CCO)c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000305826713 398507549 /nfs/dbraw/zinc/50/75/49/398507549.db2.gz NMKHOOPCHNOSGV-LBPRGKRZSA-N 1 2 316.361 2.591 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000596835863 398510305 /nfs/dbraw/zinc/51/03/05/398510305.db2.gz AFMVVLRIBRQKNJ-LLVKDONJSA-N 1 2 317.349 2.828 20 5 DFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H](C)c2ccccn2)c1 ZINC000593023389 398523320 /nfs/dbraw/zinc/52/33/20/398523320.db2.gz SIIIIXSPTJWHKF-NSHDSACASA-N 1 2 315.329 2.627 20 5 DFBDLO O=[N+]([O-])c1cncc(Cl)c1N1CCC(n2cc[nH+]c2)CC1 ZINC000589109348 398527222 /nfs/dbraw/zinc/52/72/22/398527222.db2.gz OTEANDRQHGYFSP-UHFFFAOYSA-N 1 2 307.741 2.681 20 5 DFBDLO Cn1c[nH+]cc1[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000589128497 398529191 /nfs/dbraw/zinc/52/91/91/398529191.db2.gz ALVAKEQKCMBWMO-JTQLQIEISA-N 1 2 320.374 2.757 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)[C@@H](CC)CO1 ZINC000593059636 398534754 /nfs/dbraw/zinc/53/47/54/398534754.db2.gz RPRMVHNQDZFQCI-DZGCQCFKSA-N 1 2 308.378 2.993 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)[C@@H](CC)CO1 ZINC000593059636 398534757 /nfs/dbraw/zinc/53/47/57/398534757.db2.gz RPRMVHNQDZFQCI-DZGCQCFKSA-N 1 2 308.378 2.993 20 5 DFBDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000593059638 398535182 /nfs/dbraw/zinc/53/51/82/398535182.db2.gz RPRMVHNQDZFQCI-HIFRSBDPSA-N 1 2 308.378 2.993 20 5 DFBDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000593059638 398535184 /nfs/dbraw/zinc/53/51/84/398535184.db2.gz RPRMVHNQDZFQCI-HIFRSBDPSA-N 1 2 308.378 2.993 20 5 DFBDLO CCn1cc(C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C(C)C)cn1 ZINC000593078726 398539579 /nfs/dbraw/zinc/53/95/79/398539579.db2.gz CWABXVWZCWQIMA-UHFFFAOYSA-N 1 2 318.377 2.927 20 5 DFBDLO CCn1cc(C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C(C)C)cn1 ZINC000593078726 398539583 /nfs/dbraw/zinc/53/95/83/398539583.db2.gz CWABXVWZCWQIMA-UHFFFAOYSA-N 1 2 318.377 2.927 20 5 DFBDLO C[N@H+](Cc1ccnn1CC1CC1)Cc1ccccc1[N+](=O)[O-] ZINC000596980219 398540338 /nfs/dbraw/zinc/54/03/38/398540338.db2.gz WOZCUHPTNGIQGC-UHFFFAOYSA-N 1 2 300.362 2.833 20 5 DFBDLO C[N@@H+](Cc1ccnn1CC1CC1)Cc1ccccc1[N+](=O)[O-] ZINC000596980219 398540343 /nfs/dbraw/zinc/54/03/43/398540343.db2.gz WOZCUHPTNGIQGC-UHFFFAOYSA-N 1 2 300.362 2.833 20 5 DFBDLO COc1ccc(C[N@@H+]2C[C@@H](C)OCC23CCC3)cc1[N+](=O)[O-] ZINC000593093419 398543887 /nfs/dbraw/zinc/54/38/87/398543887.db2.gz SMZKFSPSDWCRDU-GFCCVEGCSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1ccc(C[N@H+]2C[C@@H](C)OCC23CCC3)cc1[N+](=O)[O-] ZINC000593093419 398543891 /nfs/dbraw/zinc/54/38/91/398543891.db2.gz SMZKFSPSDWCRDU-GFCCVEGCSA-N 1 2 306.362 2.747 20 5 DFBDLO C[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000091959755 398550224 /nfs/dbraw/zinc/55/02/24/398550224.db2.gz FVFHRJAGVJJVSV-LRDDRELGSA-N 1 2 316.361 2.580 20 5 DFBDLO C[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000091959755 398550226 /nfs/dbraw/zinc/55/02/26/398550226.db2.gz FVFHRJAGVJJVSV-LRDDRELGSA-N 1 2 316.361 2.580 20 5 DFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)Cc2ccco2)c1 ZINC000589495182 398557186 /nfs/dbraw/zinc/55/71/86/398557186.db2.gz HCASFVMTUQZKGR-UHFFFAOYSA-N 1 2 304.302 2.606 20 5 DFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)Cc2ccco2)c1 ZINC000589495182 398557191 /nfs/dbraw/zinc/55/71/91/398557191.db2.gz HCASFVMTUQZKGR-UHFFFAOYSA-N 1 2 304.302 2.606 20 5 DFBDLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000069302874 398562701 /nfs/dbraw/zinc/56/27/01/398562701.db2.gz HMYWXERBYZAEAW-UHFFFAOYSA-N 1 2 313.357 2.974 20 5 DFBDLO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000069302874 398562705 /nfs/dbraw/zinc/56/27/05/398562705.db2.gz HMYWXERBYZAEAW-UHFFFAOYSA-N 1 2 313.357 2.974 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000072771254 398635757 /nfs/dbraw/zinc/63/57/57/398635757.db2.gz IWKYCPTXHSNNAF-TXEJJXNPSA-N 1 2 323.418 2.668 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000072771254 398635762 /nfs/dbraw/zinc/63/57/62/398635762.db2.gz IWKYCPTXHSNNAF-TXEJJXNPSA-N 1 2 323.418 2.668 20 5 DFBDLO CCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000590620025 398640579 /nfs/dbraw/zinc/64/05/79/398640579.db2.gz ZHTOVEREEITDRQ-NSHDSACASA-N 1 2 302.334 2.699 20 5 DFBDLO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000590624749 398641599 /nfs/dbraw/zinc/64/15/99/398641599.db2.gz YTBYVSULGCQPCV-NSHDSACASA-N 1 2 314.345 2.556 20 5 DFBDLO CN(C)c1cccc(C[N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000093845623 398647257 /nfs/dbraw/zinc/64/72/57/398647257.db2.gz XPMKZVVBHGUTPH-UHFFFAOYSA-N 1 2 315.373 2.998 20 5 DFBDLO CN(C)c1cccc(C[N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000093845623 398647260 /nfs/dbraw/zinc/64/72/60/398647260.db2.gz XPMKZVVBHGUTPH-UHFFFAOYSA-N 1 2 315.373 2.998 20 5 DFBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCC1 ZINC000590685183 398651275 /nfs/dbraw/zinc/65/12/75/398651275.db2.gz KRTIZNDBPKNXOL-NSHDSACASA-N 1 2 314.345 2.699 20 5 DFBDLO C[C@@H]1C[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)c2[nH+]ccn21 ZINC000590723707 398658826 /nfs/dbraw/zinc/65/88/26/398658826.db2.gz CJJRYGSXJWNCQU-RNCFNFMXSA-N 1 2 310.317 2.852 20 5 DFBDLO Cc1csc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000047889159 398763005 /nfs/dbraw/zinc/76/30/05/398763005.db2.gz UMENWUOGWLDIGL-UHFFFAOYSA-N 1 2 318.402 2.682 20 5 DFBDLO CCCCCNC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135228330 283211872 /nfs/dbraw/zinc/21/18/72/283211872.db2.gz LEMJWLDAZLYFFL-UHFFFAOYSA-N 1 2 319.405 2.866 20 5 DFBDLO CCCCCNC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135228330 283211876 /nfs/dbraw/zinc/21/18/76/283211876.db2.gz LEMJWLDAZLYFFL-UHFFFAOYSA-N 1 2 319.405 2.866 20 5 DFBDLO Cc1ccoc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000292354894 223017393 /nfs/dbraw/zinc/01/73/93/223017393.db2.gz PZYSFWPGEJAPHF-LBPRGKRZSA-N 1 2 317.345 2.955 20 5 DFBDLO Cc1ccoc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000292354894 223017394 /nfs/dbraw/zinc/01/73/94/223017394.db2.gz PZYSFWPGEJAPHF-LBPRGKRZSA-N 1 2 317.345 2.955 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075533891 398808256 /nfs/dbraw/zinc/80/82/56/398808256.db2.gz AJRFWITXWZAERA-GFCCVEGCSA-N 1 2 314.345 2.646 20 5 DFBDLO CN(C)c1nc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cs1 ZINC000594495896 398809690 /nfs/dbraw/zinc/80/96/90/398809690.db2.gz FDJFWBAEIDVGHJ-CYBMUJFWSA-N 1 2 318.402 2.894 20 5 DFBDLO CC(C)c1ccc(C(=O)N[C@H](C)c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000598466329 398817614 /nfs/dbraw/zinc/81/76/14/398817614.db2.gz YPVSIZNRNPUFNM-LLVKDONJSA-N 1 2 316.361 2.943 20 5 DFBDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000152637493 283332475 /nfs/dbraw/zinc/33/24/75/283332475.db2.gz MQEUORKBOOKOAH-UHFFFAOYSA-N 1 2 321.358 2.513 20 5 DFBDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000152648127 283333190 /nfs/dbraw/zinc/33/31/90/283333190.db2.gz GMTUUBBMEVIASO-UHFFFAOYSA-N 1 2 321.358 2.513 20 5 DFBDLO C[C@@H]([NH2+][C@@H](C)c1cscn1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000594714102 398847283 /nfs/dbraw/zinc/84/72/83/398847283.db2.gz XOIKIKRAPNZXRH-VHSXEESVSA-N 1 2 320.374 2.729 20 5 DFBDLO COc1ccnc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1F ZINC000594726393 398849644 /nfs/dbraw/zinc/84/96/44/398849644.db2.gz LZWFGBAIZREKKL-SNVBAGLBSA-N 1 2 305.309 2.988 20 5 DFBDLO CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153082915 283351729 /nfs/dbraw/zinc/35/17/29/283351729.db2.gz CTLJZNTXEHCFEH-STQMWFEESA-N 1 2 319.405 2.646 20 5 DFBDLO CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153082915 283351733 /nfs/dbraw/zinc/35/17/33/283351733.db2.gz CTLJZNTXEHCFEH-STQMWFEESA-N 1 2 319.405 2.646 20 5 DFBDLO C[C@@H]([NH2+]Cc1cn(C2CCC2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000594927182 398873973 /nfs/dbraw/zinc/87/39/73/398873973.db2.gz ZAINODPLGIVKBY-LLVKDONJSA-N 1 2 301.350 2.762 20 5 DFBDLO CC(C)[C@H](C)NC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153306418 283361690 /nfs/dbraw/zinc/36/16/90/283361690.db2.gz OXYYQELWFKGGHP-ZDUSSCGKSA-N 1 2 319.405 2.720 20 5 DFBDLO CC(C)[C@H](C)NC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153306418 283361693 /nfs/dbraw/zinc/36/16/93/283361693.db2.gz OXYYQELWFKGGHP-ZDUSSCGKSA-N 1 2 319.405 2.720 20 5 DFBDLO CSc1ccc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000140782851 398892378 /nfs/dbraw/zinc/89/23/78/398892378.db2.gz KEHWOVKAKVBHKF-MRVPVSSYSA-N 1 2 306.347 2.531 20 5 DFBDLO CCc1ccc([C@@H]([NH2+]C/C=C\CO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000595068549 398901941 /nfs/dbraw/zinc/90/19/41/398901941.db2.gz IVYSGVLEVKZJGR-LIMHQNJXSA-N 1 2 316.357 2.978 20 5 DFBDLO C[C@@H](O)C[C@H]1CCCN1c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599057064 398914336 /nfs/dbraw/zinc/91/43/36/398914336.db2.gz CDYIHQJMGVWNSS-DGCLKSJQSA-N 1 2 301.346 2.883 20 5 DFBDLO CCNC(=O)C(C)(C)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599057463 398914339 /nfs/dbraw/zinc/91/43/39/398914339.db2.gz DUNGQEFKQDVRFT-UHFFFAOYSA-N 1 2 316.361 2.717 20 5 DFBDLO CCOC(=O)[C@H](C)CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599062494 398914975 /nfs/dbraw/zinc/91/49/75/398914975.db2.gz RVRNAMCQCJSZHP-SNVBAGLBSA-N 1 2 303.318 2.754 20 5 DFBDLO Cc1noc(C[NH+]2CCN(c3ccccc3C)CC2)c1[N+](=O)[O-] ZINC000595290131 398916727 /nfs/dbraw/zinc/91/67/27/398916727.db2.gz VKFMUPXDSHRFQH-UHFFFAOYSA-N 1 2 316.361 2.522 20 5 DFBDLO C[C@]1(O)CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599077742 398918087 /nfs/dbraw/zinc/91/80/87/398918087.db2.gz HVIZHTWLALSPMD-INIZCTEOSA-N 1 2 301.346 2.884 20 5 DFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC(F)(F)[C@H](CO)C1 ZINC000599083641 398918599 /nfs/dbraw/zinc/91/85/99/398918599.db2.gz UUKFXJIYQXYFFH-NSHDSACASA-N 1 2 323.299 2.597 20 5 DFBDLO Cc1cc[nH+]c([C@@H]2CCN(c3ncc([N+](=O)[O-])cc3F)C2)c1 ZINC000599099671 398921467 /nfs/dbraw/zinc/92/14/67/398921467.db2.gz IZGFGBLRZKVZSB-LLVKDONJSA-N 1 2 302.309 2.826 20 5 DFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC[C@@](O)(C2CC2)C1 ZINC000599107869 398922133 /nfs/dbraw/zinc/92/21/33/398922133.db2.gz OJPVDSMPHVEGJX-KRWDZBQOSA-N 1 2 313.357 2.884 20 5 DFBDLO C[C@@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@H]1CO ZINC000599111552 398922528 /nfs/dbraw/zinc/92/25/28/398922528.db2.gz JYVGSWQDRXPWPU-YPMHNXCESA-N 1 2 301.346 2.598 20 5 DFBDLO COc1cc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)on1 ZINC000595354253 398926819 /nfs/dbraw/zinc/92/68/19/398926819.db2.gz SQONOGDZOUAOJT-UHFFFAOYSA-N 1 2 303.318 2.756 20 5 DFBDLO COc1cc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)on1 ZINC000595354253 398926822 /nfs/dbraw/zinc/92/68/22/398926822.db2.gz SQONOGDZOUAOJT-UHFFFAOYSA-N 1 2 303.318 2.756 20 5 DFBDLO Cc1noc(C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)c1[N+](=O)[O-] ZINC000595410848 398933302 /nfs/dbraw/zinc/93/33/02/398933302.db2.gz XDONPOZZFOAJPF-SECBINFHSA-N 1 2 319.317 2.513 20 5 DFBDLO Cc1noc(C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)c1[N+](=O)[O-] ZINC000595420086 398935012 /nfs/dbraw/zinc/93/50/12/398935012.db2.gz MXBXVYTVORQRKU-ZDUSSCGKSA-N 1 2 307.354 2.502 20 5 DFBDLO COCC[N@H+](Cc1cccnc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595456164 398942204 /nfs/dbraw/zinc/94/22/04/398942204.db2.gz WZRHCVNITRRLNP-UHFFFAOYSA-N 1 2 319.336 2.778 20 5 DFBDLO COCC[N@@H+](Cc1cccnc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595456164 398942206 /nfs/dbraw/zinc/94/22/06/398942206.db2.gz WZRHCVNITRRLNP-UHFFFAOYSA-N 1 2 319.336 2.778 20 5 DFBDLO C[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000595468301 398945404 /nfs/dbraw/zinc/94/54/04/398945404.db2.gz XTQOCJQPDYDUBP-LRDDRELGSA-N 1 2 324.352 2.504 20 5 DFBDLO C[C@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000595468301 398945405 /nfs/dbraw/zinc/94/54/05/398945405.db2.gz XTQOCJQPDYDUBP-LRDDRELGSA-N 1 2 324.352 2.504 20 5 DFBDLO Cc1noc(C[N@@H+]2CCC=C(c3ccncc3)C2)c1[N+](=O)[O-] ZINC000595485029 398947941 /nfs/dbraw/zinc/94/79/41/398947941.db2.gz UROYYSAARFCURR-UHFFFAOYSA-N 1 2 300.318 2.576 20 5 DFBDLO Cc1noc(C[N@H+]2CCC=C(c3ccncc3)C2)c1[N+](=O)[O-] ZINC000595485029 398947944 /nfs/dbraw/zinc/94/79/44/398947944.db2.gz UROYYSAARFCURR-UHFFFAOYSA-N 1 2 300.318 2.576 20 5 DFBDLO Cc1ccc([C@@H](C)NC(=O)N(C)Cc2c[nH+]c[nH]2)cc1[N+](=O)[O-] ZINC000595543290 398962826 /nfs/dbraw/zinc/96/28/26/398962826.db2.gz JFSJPOAUCDMBCS-LLVKDONJSA-N 1 2 317.349 2.529 20 5 DFBDLO Cc1ccc([C@@H](C)NC(=O)N(C)Cc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000595543290 398962831 /nfs/dbraw/zinc/96/28/31/398962831.db2.gz JFSJPOAUCDMBCS-LLVKDONJSA-N 1 2 317.349 2.529 20 5 DFBDLO Nc1ccc([N+](=O)[O-])c(NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000193381123 201042831 /nfs/dbraw/zinc/04/28/31/201042831.db2.gz BEKKRMHCLOWDKV-UHFFFAOYSA-N 1 2 313.361 2.784 20 5 DFBDLO CC(C)C[C@@H]1COCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193941788 201149293 /nfs/dbraw/zinc/14/92/93/201149293.db2.gz QQDPMXUYVDCAHS-CQSZACIVSA-N 1 2 323.349 2.750 20 5 DFBDLO CC(C)C[C@@H]1COCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193941788 201149297 /nfs/dbraw/zinc/14/92/97/201149297.db2.gz QQDPMXUYVDCAHS-CQSZACIVSA-N 1 2 323.349 2.750 20 5 DFBDLO CCOC[C@H]1C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000599620957 399030498 /nfs/dbraw/zinc/03/04/98/399030498.db2.gz XBPRGFKWTIZSLX-UKRRQHHQSA-N 1 2 308.378 2.702 20 5 DFBDLO CCOC[C@H]1C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CCO1 ZINC000599620957 399030500 /nfs/dbraw/zinc/03/05/00/399030500.db2.gz XBPRGFKWTIZSLX-UKRRQHHQSA-N 1 2 308.378 2.702 20 5 DFBDLO C[C@@H]1CC(F)(F)CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000599624768 399031767 /nfs/dbraw/zinc/03/17/67/399031767.db2.gz XWXQKWROBRAPFL-SNVBAGLBSA-N 1 2 313.304 2.653 20 5 DFBDLO C[C@@H]1CC(F)(F)CC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000599624768 399031772 /nfs/dbraw/zinc/03/17/72/399031772.db2.gz XWXQKWROBRAPFL-SNVBAGLBSA-N 1 2 313.304 2.653 20 5 DFBDLO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000124790355 291365538 /nfs/dbraw/zinc/36/55/38/291365538.db2.gz RVEVUENUIVLCOY-AWEZNQCLSA-N 1 2 306.362 2.856 20 5 DFBDLO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000124790355 291365539 /nfs/dbraw/zinc/36/55/39/291365539.db2.gz RVEVUENUIVLCOY-AWEZNQCLSA-N 1 2 306.362 2.856 20 5 DFBDLO CC(C)(NC(=O)CCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000079631336 399069448 /nfs/dbraw/zinc/06/94/48/399069448.db2.gz OGCQOHHDGAIOFP-UHFFFAOYSA-N 1 2 316.361 2.623 20 5 DFBDLO Cc1cc(NC(=O)NCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000338333529 284099342 /nfs/dbraw/zinc/09/93/42/284099342.db2.gz NEUDJEKCACAHEQ-UHFFFAOYSA-N 1 2 315.333 2.532 20 5 DFBDLO O=[N+]([O-])c1ccc(-c2ccc(NC[C@H]3CCCO3)[nH+]c2)cn1 ZINC000600788744 399146626 /nfs/dbraw/zinc/14/66/26/399146626.db2.gz NHHUHWMAZOGVLD-CYBMUJFWSA-N 1 2 300.318 2.643 20 5 DFBDLO CC(C)c1nnc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000282461883 217014197 /nfs/dbraw/zinc/01/41/97/217014197.db2.gz MXDXTDGEXCJRGP-UHFFFAOYSA-N 1 2 304.350 2.776 20 5 DFBDLO CC(C)c1nnc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000282461883 217014200 /nfs/dbraw/zinc/01/42/00/217014200.db2.gz MXDXTDGEXCJRGP-UHFFFAOYSA-N 1 2 304.350 2.776 20 5 DFBDLO COc1cc(NCCCn2cc[nH+]c2)c(Cl)cc1[N+](=O)[O-] ZINC000596051151 399155503 /nfs/dbraw/zinc/15/55/03/399155503.db2.gz MBTUQJBLLGRMPW-UHFFFAOYSA-N 1 2 310.741 2.956 20 5 DFBDLO COC(=O)c1cc(-c2c[nH+]c(C(C)C)n2C)cc([N+](=O)[O-])c1 ZINC000600845661 399158753 /nfs/dbraw/zinc/15/87/53/399158753.db2.gz QRCUQGKHTKYLES-UHFFFAOYSA-N 1 2 303.318 2.905 20 5 DFBDLO Cc1cc(NCC2(CO)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000080687416 399170962 /nfs/dbraw/zinc/17/09/62/399170962.db2.gz FXESFGRKGJPIJU-UHFFFAOYSA-N 1 2 314.345 2.545 20 5 DFBDLO Cc1cnc(N2CC[C@@H](CNc3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000266176213 205160930 /nfs/dbraw/zinc/16/09/30/205160930.db2.gz AUHKFZPMAYIAIZ-ZDUSSCGKSA-N 1 2 313.361 2.632 20 5 DFBDLO COc1cc(N2CC(n3cc[nH+]c3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596160198 399196891 /nfs/dbraw/zinc/19/68/91/399196891.db2.gz ASOUONDFQROIAI-UHFFFAOYSA-N 1 2 308.725 2.515 20 5 DFBDLO COc1ccc([N+](=O)[O-])c(NCc2cn3c([nH+]2)CCCC3)c1 ZINC000266351483 205286508 /nfs/dbraw/zinc/28/65/08/205286508.db2.gz JMRZGUZKJADNGX-UHFFFAOYSA-N 1 2 302.334 2.748 20 5 DFBDLO COc1cc(C(=O)Nc2cc[nH+]c(C)c2)c([N+](=O)[O-])cc1OC ZINC000017820729 182086330 /nfs/dbraw/zinc/08/63/30/182086330.db2.gz YGMVSYVICJODFQ-UHFFFAOYSA-N 1 2 317.301 2.568 20 5 DFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@]12CCOC2 ZINC000421030119 296228770 /nfs/dbraw/zinc/22/87/70/296228770.db2.gz YJWDDSLXYZIYMI-INIZCTEOSA-N 1 2 306.362 2.747 20 5 DFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@]12CCOC2 ZINC000421030119 296228772 /nfs/dbraw/zinc/22/87/72/296228772.db2.gz YJWDDSLXYZIYMI-INIZCTEOSA-N 1 2 306.362 2.747 20 5 DFBDLO CC[C@@]1(O)CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000601234293 399260797 /nfs/dbraw/zinc/26/07/97/399260797.db2.gz SYJUIIUJJCCNGO-MRXNPFEDSA-N 1 2 301.346 2.884 20 5 DFBDLO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C12CCC2 ZINC000344470022 284620153 /nfs/dbraw/zinc/62/01/53/284620153.db2.gz VYVUACAYOBVENY-CABCVRRESA-N 1 2 306.362 2.738 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000421573563 296266882 /nfs/dbraw/zinc/26/68/82/296266882.db2.gz BJMBRASMINIIAK-UHFFFAOYSA-N 1 2 315.329 2.545 20 5 DFBDLO Cc1c(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000609131218 399304602 /nfs/dbraw/zinc/30/46/02/399304602.db2.gz KRBNKCDIZVVXKI-CYBMUJFWSA-N 1 2 314.345 2.577 20 5 DFBDLO Cn1cc[nH+]c1[C@@H](Nc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000284684721 218132896 /nfs/dbraw/zinc/13/28/96/218132896.db2.gz YJWGBANUMOFHAR-HNNXBMFYSA-N 1 2 316.361 2.908 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000610239734 399349189 /nfs/dbraw/zinc/34/91/89/399349189.db2.gz JMTCXHLDWSYHTB-ZDUSSCGKSA-N 1 2 314.345 2.577 20 5 DFBDLO Cn1c2ccc(Nc3ncc([N+](=O)[O-])cn3)cc2[nH+]c1C1CC1 ZINC000273919285 211172840 /nfs/dbraw/zinc/17/28/40/211172840.db2.gz JLDRBDMVFGBCRL-UHFFFAOYSA-N 1 2 310.317 2.893 20 5 DFBDLO Cc1cc[nH+]cc1N1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000619589384 399365584 /nfs/dbraw/zinc/36/55/84/399365584.db2.gz ITSRJLDQBHNCNY-UHFFFAOYSA-N 1 2 316.336 2.764 20 5 DFBDLO Cc1cnn([C@H]2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)c1 ZINC000105901424 194163857 /nfs/dbraw/zinc/16/38/57/194163857.db2.gz DNLXUZGISVQQTJ-ZDUSSCGKSA-N 1 2 306.391 2.998 20 5 DFBDLO Cc1cnn([C@H]2CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)c1 ZINC000105901424 194163858 /nfs/dbraw/zinc/16/38/58/194163858.db2.gz DNLXUZGISVQQTJ-ZDUSSCGKSA-N 1 2 306.391 2.998 20 5 DFBDLO O=C(C[N@@H+]1C[C@H]2CCC[C@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610585192 399383552 /nfs/dbraw/zinc/38/35/52/399383552.db2.gz FKSTWTBHFOXQHA-BXKDBHETSA-N 1 2 309.753 2.671 20 5 DFBDLO O=C(C[N@H+]1C[C@H]2CCC[C@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610585192 399383556 /nfs/dbraw/zinc/38/35/56/399383556.db2.gz FKSTWTBHFOXQHA-BXKDBHETSA-N 1 2 309.753 2.671 20 5 DFBDLO CC(C)(O)C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000285282873 218365170 /nfs/dbraw/zinc/36/51/70/218365170.db2.gz KPTYXPVOMOTRQD-UHFFFAOYSA-N 1 2 300.305 2.608 20 5 DFBDLO CC(C)(O)C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000285282873 218365173 /nfs/dbraw/zinc/36/51/73/218365173.db2.gz KPTYXPVOMOTRQD-UHFFFAOYSA-N 1 2 300.305 2.608 20 5 DFBDLO CC[C@]1(CO)CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285290277 218368119 /nfs/dbraw/zinc/36/81/19/218368119.db2.gz LCWRNUQLNDYYNR-HNNXBMFYSA-N 1 2 314.332 2.858 20 5 DFBDLO CC[C@]1(CO)CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285290277 218368121 /nfs/dbraw/zinc/36/81/21/218368121.db2.gz LCWRNUQLNDYYNR-HNNXBMFYSA-N 1 2 314.332 2.858 20 5 DFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000610682538 399392759 /nfs/dbraw/zinc/39/27/59/399392759.db2.gz PUBYRFZWTRTRPX-DAXOMENPSA-N 1 2 306.362 2.536 20 5 DFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000610682538 399392761 /nfs/dbraw/zinc/39/27/61/399392761.db2.gz PUBYRFZWTRTRPX-DAXOMENPSA-N 1 2 306.362 2.536 20 5 DFBDLO Cc1nc(N2CCCC[C@H]2c2c[nH+]cn2C)ccc1[N+](=O)[O-] ZINC000610754894 399402617 /nfs/dbraw/zinc/40/26/17/399402617.db2.gz KYRCGJAVJNLSTB-ZDUSSCGKSA-N 1 2 301.350 2.763 20 5 DFBDLO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000057551733 184042185 /nfs/dbraw/zinc/04/21/85/184042185.db2.gz OXPNPRAIPASJTB-LBPRGKRZSA-N 1 2 317.345 2.955 20 5 DFBDLO Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000057551733 184042186 /nfs/dbraw/zinc/04/21/86/184042186.db2.gz OXPNPRAIPASJTB-LBPRGKRZSA-N 1 2 317.345 2.955 20 5 DFBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1C2CCC1CC2 ZINC000602346984 399428604 /nfs/dbraw/zinc/42/86/04/399428604.db2.gz WNSASVYMCPNMED-UHFFFAOYSA-N 1 2 312.329 2.548 20 5 DFBDLO Cc1cnc(C[N@@H+](C)[C@H]2CCN(c3sccc3[N+](=O)[O-])C2)o1 ZINC000611413552 399473336 /nfs/dbraw/zinc/47/33/36/399473336.db2.gz CDRKZQKAFABOBF-NSHDSACASA-N 1 2 322.390 2.663 20 5 DFBDLO Cc1cnc(C[N@H+](C)[C@H]2CCN(c3sccc3[N+](=O)[O-])C2)o1 ZINC000611413552 399473337 /nfs/dbraw/zinc/47/33/37/399473337.db2.gz CDRKZQKAFABOBF-NSHDSACASA-N 1 2 322.390 2.663 20 5 DFBDLO Cc1[nH+]cccc1NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602573890 399479654 /nfs/dbraw/zinc/47/96/54/399479654.db2.gz ABGXKQXGHFISPO-UHFFFAOYSA-N 1 2 313.361 2.774 20 5 DFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611502884 399484070 /nfs/dbraw/zinc/48/40/70/399484070.db2.gz ZZSHCEHOPUXYON-UHIISALHSA-N 1 2 309.341 2.602 20 5 DFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611502884 399484071 /nfs/dbraw/zinc/48/40/71/399484071.db2.gz ZZSHCEHOPUXYON-UHIISALHSA-N 1 2 309.341 2.602 20 5 DFBDLO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)c([N+](=O)[O-])cc1OC ZINC000611521360 399487118 /nfs/dbraw/zinc/48/71/18/399487118.db2.gz ALKUMXQUAUEFTJ-ZYHUDNBSSA-N 1 2 312.341 2.792 20 5 DFBDLO COc1cc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)c([N+](=O)[O-])cc1OC ZINC000611521360 399487121 /nfs/dbraw/zinc/48/71/21/399487121.db2.gz ALKUMXQUAUEFTJ-ZYHUDNBSSA-N 1 2 312.341 2.792 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)c(F)c1 ZINC000611576747 399495645 /nfs/dbraw/zinc/49/56/45/399495645.db2.gz DLHNGFZPSMOLIX-LLVKDONJSA-N 1 2 304.268 2.938 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](OC(F)F)C2)c(F)c1 ZINC000611576747 399495647 /nfs/dbraw/zinc/49/56/47/399495647.db2.gz DLHNGFZPSMOLIX-LLVKDONJSA-N 1 2 304.268 2.938 20 5 DFBDLO C[C@@]1(F)CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000347406529 285037202 /nfs/dbraw/zinc/03/72/02/285037202.db2.gz JKHXHQKTWSOSJW-CQSZACIVSA-N 1 2 306.297 2.579 20 5 DFBDLO C[C@@]1(F)CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000347406529 285037204 /nfs/dbraw/zinc/03/72/04/285037204.db2.gz JKHXHQKTWSOSJW-CQSZACIVSA-N 1 2 306.297 2.579 20 5 DFBDLO C[C@@H]1C[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)c2[nH+]ccn21 ZINC000602684434 399519443 /nfs/dbraw/zinc/51/94/43/399519443.db2.gz YEJHTSIPUKIKHW-BXKDBHETSA-N 1 2 313.317 2.728 20 5 DFBDLO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C2(CCC2)CO1 ZINC000602712815 399534061 /nfs/dbraw/zinc/53/40/61/399534061.db2.gz OMSUYKHRVVACHA-LLVKDONJSA-N 1 2 317.345 2.879 20 5 DFBDLO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C2(CCC2)CO1 ZINC000602712815 399534064 /nfs/dbraw/zinc/53/40/64/399534064.db2.gz OMSUYKHRVVACHA-LLVKDONJSA-N 1 2 317.345 2.879 20 5 DFBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291267303 285116870 /nfs/dbraw/zinc/11/68/70/285116870.db2.gz NNNDJMYBKUSTNE-SNVBAGLBSA-N 1 2 320.723 2.698 20 5 DFBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291267303 285116874 /nfs/dbraw/zinc/11/68/74/285116874.db2.gz NNNDJMYBKUSTNE-SNVBAGLBSA-N 1 2 320.723 2.698 20 5 DFBDLO O=[N+]([O-])c1ccc(N2CCCN(c3cccc[nH+]3)CC2)c(F)c1 ZINC000302238482 285122706 /nfs/dbraw/zinc/12/27/06/285122706.db2.gz WRTCZUMKSHVUJC-UHFFFAOYSA-N 1 2 316.336 2.846 20 5 DFBDLO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602762497 399559688 /nfs/dbraw/zinc/55/96/88/399559688.db2.gz KBIXNJHGVVLVJN-GFCCVEGCSA-N 1 2 306.391 2.899 20 5 DFBDLO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602762497 399559690 /nfs/dbraw/zinc/55/96/90/399559690.db2.gz KBIXNJHGVVLVJN-GFCCVEGCSA-N 1 2 306.391 2.899 20 5 DFBDLO CCc1ccc(C(=O)N[C@H](CC)c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000347956105 285268303 /nfs/dbraw/zinc/26/83/03/285268303.db2.gz LEMXANQAKCCUNJ-GFCCVEGCSA-N 1 2 302.334 2.761 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000347966137 285273569 /nfs/dbraw/zinc/27/35/69/285273569.db2.gz KXICRTQCTQMNRE-VXGBXAGGSA-N 1 2 322.258 2.622 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000347966137 285273570 /nfs/dbraw/zinc/27/35/70/285273570.db2.gz KXICRTQCTQMNRE-VXGBXAGGSA-N 1 2 322.258 2.622 20 5 DFBDLO CCc1nnc(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000289817144 221245506 /nfs/dbraw/zinc/24/55/06/221245506.db2.gz NLLOWADTJRXUAX-UHFFFAOYSA-N 1 2 312.782 2.952 20 5 DFBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H](CO)C1 ZINC000289894520 221297667 /nfs/dbraw/zinc/29/76/67/221297667.db2.gz MQPRLJZGPJCSSC-QMMMGPOBSA-N 1 2 305.161 2.716 20 5 DFBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@H](CO)C1 ZINC000289894520 221297669 /nfs/dbraw/zinc/29/76/69/221297669.db2.gz MQPRLJZGPJCSSC-QMMMGPOBSA-N 1 2 305.161 2.716 20 5 DFBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000120950176 195270127 /nfs/dbraw/zinc/27/01/27/195270127.db2.gz DFRCXXQPXORLOC-INIZCTEOSA-N 1 2 318.329 2.640 20 5 DFBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000120950176 195270129 /nfs/dbraw/zinc/27/01/29/195270129.db2.gz DFRCXXQPXORLOC-INIZCTEOSA-N 1 2 318.329 2.640 20 5 DFBDLO COc1cc(C[N@@H+]2CCC[C@H]2c2cc[nH]n2)ccc1[N+](=O)[O-] ZINC000348153000 285385716 /nfs/dbraw/zinc/38/57/16/285385716.db2.gz DBGDJGZQNZWBLW-ZDUSSCGKSA-N 1 2 302.334 2.664 20 5 DFBDLO COc1cc(C[N@H+]2CCC[C@H]2c2cc[nH]n2)ccc1[N+](=O)[O-] ZINC000348153000 285385718 /nfs/dbraw/zinc/38/57/18/285385718.db2.gz DBGDJGZQNZWBLW-ZDUSSCGKSA-N 1 2 302.334 2.664 20 5 DFBDLO COc1ccncc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000353610100 146687543 /nfs/dbraw/zinc/68/75/43/146687543.db2.gz RTJGSSGMSQHIOV-UHFFFAOYSA-N 1 2 307.737 2.942 20 5 DFBDLO O=[N+]([O-])c1cc2c(cc1C[NH2+]Cc1ccc(Cl)o1)OCCO2 ZINC000604532238 399852899 /nfs/dbraw/zinc/85/28/99/399852899.db2.gz PDOUOGQGTMVNPT-UHFFFAOYSA-N 1 2 324.720 2.902 20 5 DFBDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CCS1 ZINC000072861642 145190098 /nfs/dbraw/zinc/19/00/98/145190098.db2.gz XCOQRDSTQUQPQX-SMDDNHRTSA-N 1 2 323.418 2.749 20 5 DFBDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CCS1 ZINC000072861642 145190100 /nfs/dbraw/zinc/19/01/00/145190100.db2.gz XCOQRDSTQUQPQX-SMDDNHRTSA-N 1 2 323.418 2.749 20 5 DFBDLO Cc1ccc(Cc2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)c[nH+]1 ZINC000355430431 147313399 /nfs/dbraw/zinc/31/33/99/147313399.db2.gz RHCGIHWXDMHNCF-UHFFFAOYSA-N 1 2 311.301 2.521 20 5 DFBDLO Cc1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cn2cc[nH+]c12 ZINC000355489206 147335448 /nfs/dbraw/zinc/33/54/48/147335448.db2.gz YXBQLEUYCUYAGH-UHFFFAOYSA-N 1 2 312.285 2.509 20 5 DFBDLO Cc1c(C(=O)N2CCC[C@H]2c2[nH+]ccn2C)cccc1[N+](=O)[O-] ZINC000361694964 149195801 /nfs/dbraw/zinc/19/58/01/149195801.db2.gz BYDITYMXFIGZMF-AWEZNQCLSA-N 1 2 314.345 2.614 20 5 DFBDLO Cn1ccnc1[C@@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000372945195 150204920 /nfs/dbraw/zinc/20/49/20/150204920.db2.gz HCBABOIYMKCDMT-AWEZNQCLSA-N 1 2 316.361 2.544 20 5 DFBDLO Cn1ccnc1[C@@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000372945195 150204921 /nfs/dbraw/zinc/20/49/21/150204921.db2.gz HCBABOIYMKCDMT-AWEZNQCLSA-N 1 2 316.361 2.544 20 5 DFBDLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000351817356 286225288 /nfs/dbraw/zinc/22/52/88/286225288.db2.gz ACHDDLHAPZBYBX-HNNXBMFYSA-N 1 2 323.368 2.567 20 5 DFBDLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000351817356 286225290 /nfs/dbraw/zinc/22/52/90/286225290.db2.gz ACHDDLHAPZBYBX-HNNXBMFYSA-N 1 2 323.368 2.567 20 5 DFBDLO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H](CO)c3ccsc3)nc2c1 ZINC000352033165 286275108 /nfs/dbraw/zinc/27/51/08/286275108.db2.gz QYTSVXAOPQEPGX-LBPRGKRZSA-N 1 2 319.342 2.621 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H](n3cccn3)C2)c(F)c1 ZINC000352131635 286300086 /nfs/dbraw/zinc/30/00/86/286300086.db2.gz UGUISQMXJBQFJW-NSHDSACASA-N 1 2 322.315 2.907 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H](n3cccn3)C2)c(F)c1 ZINC000352131635 286300087 /nfs/dbraw/zinc/30/00/87/286300087.db2.gz UGUISQMXJBQFJW-NSHDSACASA-N 1 2 322.315 2.907 20 5 DFBDLO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@H](O)CC3CCCC3)C2)cc1 ZINC000352884771 286493569 /nfs/dbraw/zinc/49/35/69/286493569.db2.gz UWBSIICGTTZWBT-OAHLLOKOSA-N 1 2 320.389 2.599 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](CCO)c1ccccc1 ZINC000429687324 296754748 /nfs/dbraw/zinc/75/47/48/296754748.db2.gz WIUNKJFPYXKMPK-OAHLLOKOSA-N 1 2 302.330 2.514 20 5 DFBDLO Cc1ccc(CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000185230686 158049887 /nfs/dbraw/zinc/04/98/87/158049887.db2.gz WRXQUEIJWNCKTE-UHFFFAOYSA-N 1 2 306.343 2.581 20 5 DFBDLO C[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286542384 287111047 /nfs/dbraw/zinc/11/10/47/287111047.db2.gz ULBCFWWQVOPTAR-OTYXRUKQSA-N 1 2 300.305 2.608 20 5 DFBDLO C[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286542384 287111048 /nfs/dbraw/zinc/11/10/48/287111048.db2.gz ULBCFWWQVOPTAR-OTYXRUKQSA-N 1 2 300.305 2.608 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1nnc(C3CC3)[nH]1)CCC2 ZINC000296579543 226014878 /nfs/dbraw/zinc/01/48/78/226014878.db2.gz UGKDYVLRUDUCTO-AWEZNQCLSA-N 1 2 313.361 2.758 20 5 DFBDLO Cc1cc(NC[C@@H](O)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301808003 229908672 /nfs/dbraw/zinc/90/86/72/229908672.db2.gz CKRPULNIDCZRCT-CQSZACIVSA-N 1 2 316.361 2.789 20 5 DFBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H](C)[NH+]1CCOCC1 ZINC000302663992 230337478 /nfs/dbraw/zinc/33/74/78/230337478.db2.gz IXOIJTCEPNKJKQ-LLVKDONJSA-N 1 2 313.785 2.689 20 5 DFBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccs1 ZINC000007846802 425654380 /nfs/dbraw/zinc/65/43/80/425654380.db2.gz QWAJTYSEQBYEGV-UHFFFAOYSA-N 1 2 305.359 2.727 20 5 DFBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccs1 ZINC000007846802 425654383 /nfs/dbraw/zinc/65/43/83/425654383.db2.gz QWAJTYSEQBYEGV-UHFFFAOYSA-N 1 2 305.359 2.727 20 5 DFBDLO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000007975067 425656775 /nfs/dbraw/zinc/65/67/75/425656775.db2.gz XGBGSGSMMXUZBZ-GFCCVEGCSA-N 1 2 317.345 2.955 20 5 DFBDLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000007975067 425656779 /nfs/dbraw/zinc/65/67/79/425656779.db2.gz XGBGSGSMMXUZBZ-GFCCVEGCSA-N 1 2 317.345 2.955 20 5 DFBDLO CN(C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000192632973 268042798 /nfs/dbraw/zinc/04/27/98/268042798.db2.gz FZZHARQFNYEYAE-UHFFFAOYSA-N 1 2 313.357 2.690 20 5 DFBDLO CN(C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000192632973 268042800 /nfs/dbraw/zinc/04/28/00/268042800.db2.gz FZZHARQFNYEYAE-UHFFFAOYSA-N 1 2 313.357 2.690 20 5 DFBDLO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1COc2ccccc2O1 ZINC000047265348 425868673 /nfs/dbraw/zinc/86/86/73/425868673.db2.gz MXEULNLGWKBWPK-GFCCVEGCSA-N 1 2 320.370 2.928 20 5 DFBDLO C[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1COc2ccccc2O1 ZINC000047265348 425868674 /nfs/dbraw/zinc/86/86/74/425868674.db2.gz MXEULNLGWKBWPK-GFCCVEGCSA-N 1 2 320.370 2.928 20 5 DFBDLO O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000195081891 268125961 /nfs/dbraw/zinc/12/59/61/268125961.db2.gz RVXZLJXHHLAUJU-UHFFFAOYSA-N 1 2 322.324 2.711 20 5 DFBDLO C[C@H]1CCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000264308235 268172552 /nfs/dbraw/zinc/17/25/52/268172552.db2.gz SJRTWLZSFBUHEF-AAEUAGOBSA-N 1 2 314.345 2.699 20 5 DFBDLO Cc1cc(C(=O)Nc2ccc[nH+]c2N(C)C)ccc1[N+](=O)[O-] ZINC000047976221 425872491 /nfs/dbraw/zinc/87/24/91/425872491.db2.gz RUJIIFBEPZIMKM-UHFFFAOYSA-N 1 2 300.318 2.617 20 5 DFBDLO CC[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000317453384 268345338 /nfs/dbraw/zinc/34/53/38/268345338.db2.gz ZOOSDNZAROFESP-LJLILKBBSA-N 1 2 300.318 2.599 20 5 DFBDLO CCOc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](CC)C2)ccc1[N+](=O)[O-] ZINC000331198327 268355973 /nfs/dbraw/zinc/35/59/73/268355973.db2.gz ZCWFWGDUMFAYRO-OCCSQVGLSA-N 1 2 308.378 2.993 20 5 DFBDLO CCOc1cc(C[N@H+]2C[C@@H](C)O[C@@H](CC)C2)ccc1[N+](=O)[O-] ZINC000331198327 268355975 /nfs/dbraw/zinc/35/59/75/268355975.db2.gz ZCWFWGDUMFAYRO-OCCSQVGLSA-N 1 2 308.378 2.993 20 5 DFBDLO COC(=O)C1([N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)CCCC1 ZINC000159279133 425957846 /nfs/dbraw/zinc/95/78/46/425957846.db2.gz LSOPSYIIYUCFBY-UHFFFAOYSA-N 1 2 322.361 2.521 20 5 DFBDLO COC(=O)C1([N@@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)CCCC1 ZINC000159279133 425957851 /nfs/dbraw/zinc/95/78/51/425957851.db2.gz LSOPSYIIYUCFBY-UHFFFAOYSA-N 1 2 322.361 2.521 20 5 DFBDLO C[C@@H]([NH2+][C@@H](C)c1nccs1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000106241852 425971414 /nfs/dbraw/zinc/97/14/14/425971414.db2.gz RRLOWRUKEQXANW-ZJUUUORDSA-N 1 2 320.374 2.729 20 5 DFBDLO Cn1cccc1[C@@H]1COCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000162472024 426066084 /nfs/dbraw/zinc/06/60/84/426066084.db2.gz ZHRZOXYZTHFISW-KRWDZBQOSA-N 1 2 315.373 2.549 20 5 DFBDLO Cn1cccc1[C@@H]1COCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000162472024 426066087 /nfs/dbraw/zinc/06/60/87/426066087.db2.gz ZHRZOXYZTHFISW-KRWDZBQOSA-N 1 2 315.373 2.549 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000126302280 426014106 /nfs/dbraw/zinc/01/41/06/426014106.db2.gz DLFJRRKKKGQOMY-KRWDZBQOSA-N 1 2 314.341 2.874 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000126302280 426014108 /nfs/dbraw/zinc/01/41/08/426014108.db2.gz DLFJRRKKKGQOMY-KRWDZBQOSA-N 1 2 314.341 2.874 20 5 DFBDLO C[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000127672915 426079020 /nfs/dbraw/zinc/07/90/20/426079020.db2.gz JJWKKAYONIYRKC-LBPRGKRZSA-N 1 2 314.345 2.621 20 5 DFBDLO C[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000127672915 426079021 /nfs/dbraw/zinc/07/90/21/426079021.db2.gz JJWKKAYONIYRKC-LBPRGKRZSA-N 1 2 314.345 2.621 20 5 DFBDLO CC(C)(NC(=O)c1ccc2[nH+]ccn2c1)c1ccc([N+](=O)[O-])cc1 ZINC000079630561 426198968 /nfs/dbraw/zinc/19/89/68/426198968.db2.gz AWAAXFKMYOWJKG-UHFFFAOYSA-N 1 2 324.340 2.908 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](CC)O[C@@H](C)C1 ZINC000175221869 426288697 /nfs/dbraw/zinc/28/86/97/426288697.db2.gz GODPFAJNVLYEDD-SWLSCSKDSA-N 1 2 308.378 2.993 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](CC)O[C@@H](C)C1 ZINC000175221869 426288699 /nfs/dbraw/zinc/28/86/99/426288699.db2.gz GODPFAJNVLYEDD-SWLSCSKDSA-N 1 2 308.378 2.993 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000091083460 426338326 /nfs/dbraw/zinc/33/83/26/426338326.db2.gz SDEVRHUBIVRFGV-UHFFFAOYSA-N 1 2 317.311 2.507 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCCN(CC(F)F)CC1 ZINC000091083460 426338328 /nfs/dbraw/zinc/33/83/28/426338328.db2.gz SDEVRHUBIVRFGV-UHFFFAOYSA-N 1 2 317.311 2.507 20 5 DFBDLO Cc1cc(NCCn2cc([N+](=O)[O-])cn2)c2cccc(F)c2[nH+]1 ZINC000152549876 426345120 /nfs/dbraw/zinc/34/51/20/426345120.db2.gz KSVGQRZEOXKEFY-UHFFFAOYSA-N 1 2 315.308 2.899 20 5 DFBDLO CCn1nccc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000154286363 426434716 /nfs/dbraw/zinc/43/47/16/426434716.db2.gz FRHRJANQDQYYPV-UHFFFAOYSA-N 1 2 300.362 2.976 20 5 DFBDLO CCn1nccc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000154286363 426434718 /nfs/dbraw/zinc/43/47/18/426434718.db2.gz FRHRJANQDQYYPV-UHFFFAOYSA-N 1 2 300.362 2.976 20 5 DFBDLO COc1cc[nH+]cc1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000341291342 269061315 /nfs/dbraw/zinc/06/13/15/269061315.db2.gz VOMWRVMUFGRKSP-UHFFFAOYSA-N 1 2 310.313 2.910 20 5 DFBDLO CC(C)[C@H](CNc1c(F)cccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000341417798 269074533 /nfs/dbraw/zinc/07/45/33/269074533.db2.gz BTMITTBCHFPHNM-AWEZNQCLSA-N 1 2 311.357 2.503 20 5 DFBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000177271298 426462165 /nfs/dbraw/zinc/46/21/65/426462165.db2.gz KHTHOSKDKQPJAV-LLVKDONJSA-N 1 2 324.686 2.747 20 5 DFBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000177271298 426462168 /nfs/dbraw/zinc/46/21/68/426462168.db2.gz KHTHOSKDKQPJAV-LLVKDONJSA-N 1 2 324.686 2.747 20 5 DFBDLO Cc1cccn2cc(C[NH2+]Cc3csc([N+](=O)[O-])c3)nc12 ZINC000123987146 426464229 /nfs/dbraw/zinc/46/42/29/426464229.db2.gz ZNWVCUJVLHHHBZ-UHFFFAOYSA-N 1 2 302.359 2.902 20 5 DFBDLO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000101563497 426484679 /nfs/dbraw/zinc/48/46/79/426484679.db2.gz NJLZZXDYYXOTBR-GFCCVEGCSA-N 1 2 311.407 2.537 20 5 DFBDLO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000101563497 426484680 /nfs/dbraw/zinc/48/46/80/426484680.db2.gz NJLZZXDYYXOTBR-GFCCVEGCSA-N 1 2 311.407 2.537 20 5 DFBDLO COC(=O)[C@@]1(F)CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000272388886 426512199 /nfs/dbraw/zinc/51/21/99/426512199.db2.gz XEFBJNYHAULHQB-XHDPSFHLSA-N 1 2 310.325 2.551 20 5 DFBDLO COC(=O)[C@@]1(F)CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000272388886 426512204 /nfs/dbraw/zinc/51/22/04/426512204.db2.gz XEFBJNYHAULHQB-XHDPSFHLSA-N 1 2 310.325 2.551 20 5 DFBDLO COC(=O)[C@@]1(F)CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000272388880 426512215 /nfs/dbraw/zinc/51/22/15/426512215.db2.gz XEFBJNYHAULHQB-IAQYHMDHSA-N 1 2 310.325 2.551 20 5 DFBDLO COC(=O)[C@@]1(F)CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000272388880 426512221 /nfs/dbraw/zinc/51/22/21/426512221.db2.gz XEFBJNYHAULHQB-IAQYHMDHSA-N 1 2 310.325 2.551 20 5 DFBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000280569838 426603149 /nfs/dbraw/zinc/60/31/49/426603149.db2.gz LPZKDSFJKXIZGC-ZUZCIYMTSA-N 1 2 321.333 2.502 20 5 DFBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C2CC2)O1 ZINC000280569838 426603153 /nfs/dbraw/zinc/60/31/53/426603153.db2.gz LPZKDSFJKXIZGC-ZUZCIYMTSA-N 1 2 321.333 2.502 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC(C)=C(C)C1 ZINC000280715726 426640766 /nfs/dbraw/zinc/64/07/66/426640766.db2.gz JSHPCSIFAWLXMX-UHFFFAOYSA-N 1 2 319.361 2.584 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC(C)=C(C)C1 ZINC000280715726 426640771 /nfs/dbraw/zinc/64/07/71/426640771.db2.gz JSHPCSIFAWLXMX-UHFFFAOYSA-N 1 2 319.361 2.584 20 5 DFBDLO CC(C)c1ccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000187545523 426669081 /nfs/dbraw/zinc/66/90/81/426669081.db2.gz BNZFHSJKQJYRPF-QGZVFWFLSA-N 1 2 320.389 2.710 20 5 DFBDLO CC(C)c1ccc(C[N@H+]2CCO[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000187545523 426669089 /nfs/dbraw/zinc/66/90/89/426669089.db2.gz BNZFHSJKQJYRPF-QGZVFWFLSA-N 1 2 320.389 2.710 20 5 DFBDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000179493745 426796055 /nfs/dbraw/zinc/79/60/55/426796055.db2.gz KOYTZIGZZYKKPM-BMFZPTHFSA-N 1 2 324.352 2.502 20 5 DFBDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000179493745 426796062 /nfs/dbraw/zinc/79/60/62/426796062.db2.gz KOYTZIGZZYKKPM-BMFZPTHFSA-N 1 2 324.352 2.502 20 5 DFBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283553255 427032517 /nfs/dbraw/zinc/03/25/17/427032517.db2.gz UCSJVXIIBNZUKI-VMPITWQZSA-N 1 2 314.345 2.768 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCc3ccccc3[C@@H]2CO)c(F)c1 ZINC000268513321 427037095 /nfs/dbraw/zinc/03/70/95/427037095.db2.gz XICBEEHRQXAFJY-KRWDZBQOSA-N 1 2 316.332 2.826 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCc3ccccc3[C@@H]2CO)c(F)c1 ZINC000268513321 427037098 /nfs/dbraw/zinc/03/70/98/427037098.db2.gz XICBEEHRQXAFJY-KRWDZBQOSA-N 1 2 316.332 2.826 20 5 DFBDLO Nc1ccc(N2CC[C@@H](CNc3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000283792035 427077553 /nfs/dbraw/zinc/07/75/53/427077553.db2.gz SDEFXVNZHINLDY-LBPRGKRZSA-N 1 2 313.361 2.510 20 5 DFBDLO CCOCCN1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182751162 427138844 /nfs/dbraw/zinc/13/88/44/427138844.db2.gz AUCCRKOREJKJQK-OAHLLOKOSA-N 1 2 321.421 2.618 20 5 DFBDLO C[C@H]([NH2+][C@@H](C)c1nccs1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000106242275 270997626 /nfs/dbraw/zinc/99/76/26/270997626.db2.gz ZZNVAAIQVHMITB-UWVGGRQHSA-N 1 2 320.374 2.729 20 5 DFBDLO CCOC(=O)[C@@H](CC)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000190645542 271215813 /nfs/dbraw/zinc/21/58/13/271215813.db2.gz HHBUPJJZLCRKJL-OAHLLOKOSA-N 1 2 306.362 2.901 20 5 DFBDLO CCOC(=O)[C@@H](CC)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000190645542 271215817 /nfs/dbraw/zinc/21/58/17/271215817.db2.gz HHBUPJJZLCRKJL-OAHLLOKOSA-N 1 2 306.362 2.901 20 5 DFBDLO Cc1nc(CC[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)no1 ZINC000265464794 271281986 /nfs/dbraw/zinc/28/19/86/271281986.db2.gz OAJKNHHEBZEALZ-UHFFFAOYSA-N 1 2 310.741 2.614 20 5 DFBDLO Cc1nc(CC[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)no1 ZINC000265464794 271281991 /nfs/dbraw/zinc/28/19/91/271281991.db2.gz OAJKNHHEBZEALZ-UHFFFAOYSA-N 1 2 310.741 2.614 20 5 DFBDLO COc1cc(N2CCC(n3cc[nH+]c3)CC2)c(F)cc1[N+](=O)[O-] ZINC000270498388 271298680 /nfs/dbraw/zinc/29/86/80/271298680.db2.gz FRLWIVRPCOVIPG-UHFFFAOYSA-N 1 2 320.324 2.781 20 5 DFBDLO CCCN(CCO)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000269385248 427183383 /nfs/dbraw/zinc/18/33/83/427183383.db2.gz UAQKMIOLKJBLIY-UHFFFAOYSA-N 1 2 316.361 2.569 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000277385431 427185413 /nfs/dbraw/zinc/18/54/13/427185413.db2.gz YLUDOLCCSUVQSV-RRMDADRESA-N 1 2 310.419 2.807 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000277385431 427185421 /nfs/dbraw/zinc/18/54/21/427185421.db2.gz YLUDOLCCSUVQSV-RRMDADRESA-N 1 2 310.419 2.807 20 5 DFBDLO CC[C@H]([NH2+][C@H](C)c1nc(COC)no1)c1cccc([N+](=O)[O-])c1 ZINC000183096900 427199349 /nfs/dbraw/zinc/19/93/49/427199349.db2.gz LAJBPEMBWRTLHS-MFKMUULPSA-N 1 2 320.349 2.926 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000277544800 427237378 /nfs/dbraw/zinc/23/73/78/427237378.db2.gz SHGIMKAQENJISA-ZZPLEAIBSA-N 1 2 310.419 2.665 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000277544800 427237382 /nfs/dbraw/zinc/23/73/82/427237382.db2.gz SHGIMKAQENJISA-ZZPLEAIBSA-N 1 2 310.419 2.665 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000330745006 427299786 /nfs/dbraw/zinc/29/97/86/427299786.db2.gz SHGZNDUGBPZARU-MRXNPFEDSA-N 1 2 308.378 2.850 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000330745006 427299790 /nfs/dbraw/zinc/29/97/90/427299790.db2.gz SHGZNDUGBPZARU-MRXNPFEDSA-N 1 2 308.378 2.850 20 5 DFBDLO Cn1nccc1C1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000285657295 427301700 /nfs/dbraw/zinc/30/17/00/427301700.db2.gz PNFLGKZSFJVRPG-UHFFFAOYSA-N 1 2 316.336 2.757 20 5 DFBDLO Cn1nccc1C1=CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000285657295 427301707 /nfs/dbraw/zinc/30/17/07/427301707.db2.gz PNFLGKZSFJVRPG-UHFFFAOYSA-N 1 2 316.336 2.757 20 5 DFBDLO CCOc1cc(C[N@@H+]2C[C@@H](C)OC[C@H]2CC)ccc1[N+](=O)[O-] ZINC000331132983 427353325 /nfs/dbraw/zinc/35/33/25/427353325.db2.gz BRRFHVSHEZOHAD-TZMCWYRMSA-N 1 2 308.378 2.993 20 5 DFBDLO CCOc1cc(C[N@H+]2C[C@@H](C)OC[C@H]2CC)ccc1[N+](=O)[O-] ZINC000331132983 427353330 /nfs/dbraw/zinc/35/33/30/427353330.db2.gz BRRFHVSHEZOHAD-TZMCWYRMSA-N 1 2 308.378 2.993 20 5 DFBDLO COc1cc(NC[C@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])cc1OC ZINC000271061405 427393542 /nfs/dbraw/zinc/39/35/42/427393542.db2.gz SNKBFGMCAQTFEZ-NSHDSACASA-N 1 2 320.349 2.557 20 5 DFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(O)(C(F)F)CC1 ZINC000331154138 427356794 /nfs/dbraw/zinc/35/67/94/427356794.db2.gz OYYHLKYVJBQKQU-UHFFFAOYSA-N 1 2 320.723 2.840 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000277945566 427366360 /nfs/dbraw/zinc/36/63/60/427366360.db2.gz GXARODGCIIAMLM-LBPRGKRZSA-N 1 2 314.345 2.646 20 5 DFBDLO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000331913787 427488428 /nfs/dbraw/zinc/48/84/28/427488428.db2.gz IWSHJKJXSNWQBX-INIZCTEOSA-N 1 2 316.361 2.761 20 5 DFBDLO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000331913787 427488437 /nfs/dbraw/zinc/48/84/37/427488437.db2.gz IWSHJKJXSNWQBX-INIZCTEOSA-N 1 2 316.361 2.761 20 5 DFBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000331534300 427434123 /nfs/dbraw/zinc/43/41/23/427434123.db2.gz FDEZFDDHZLSFOD-CYBMUJFWSA-N 1 2 317.349 2.507 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@H](C)[S@@]1=O ZINC000286147033 427436985 /nfs/dbraw/zinc/43/69/85/427436985.db2.gz VTIQSBIYCDOUHH-QUSSIACISA-N 1 2 310.419 2.635 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@H](C)[S@@]1=O ZINC000286147033 427436990 /nfs/dbraw/zinc/43/69/90/427436990.db2.gz VTIQSBIYCDOUHH-QUSSIACISA-N 1 2 310.419 2.635 20 5 DFBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3cc(Cl)ccc3C2)c1 ZINC000192243182 427508558 /nfs/dbraw/zinc/50/85/58/427508558.db2.gz QNGIQAODZQLKLF-UHFFFAOYSA-N 1 2 306.753 2.503 20 5 DFBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCc3cc(Cl)ccc3C2)c1 ZINC000192243182 427508570 /nfs/dbraw/zinc/50/85/70/427508570.db2.gz QNGIQAODZQLKLF-UHFFFAOYSA-N 1 2 306.753 2.503 20 5 DFBDLO O=[N+]([O-])c1ccn(CC[N@H+](Cc2c(F)cccc2F)C2CC2)n1 ZINC000192300723 427518315 /nfs/dbraw/zinc/51/83/15/427518315.db2.gz RFGJJKHTRVSGEY-UHFFFAOYSA-N 1 2 322.315 2.734 20 5 DFBDLO O=[N+]([O-])c1ccn(CC[N@@H+](Cc2c(F)cccc2F)C2CC2)n1 ZINC000192300723 427518320 /nfs/dbraw/zinc/51/83/20/427518320.db2.gz RFGJJKHTRVSGEY-UHFFFAOYSA-N 1 2 322.315 2.734 20 5 DFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000332232958 427553401 /nfs/dbraw/zinc/55/34/01/427553401.db2.gz PSGUHKITOJDRJS-LAJNKCICSA-N 1 2 310.419 2.889 20 5 DFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000332232958 427553407 /nfs/dbraw/zinc/55/34/07/427553407.db2.gz PSGUHKITOJDRJS-LAJNKCICSA-N 1 2 310.419 2.889 20 5 DFBDLO C[C@@H](c1ccsc1)[NH+]1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000192531769 427559444 /nfs/dbraw/zinc/55/94/44/427559444.db2.gz UIQJVDRIJDYGSQ-JTQLQIEISA-N 1 2 324.431 2.996 20 5 DFBDLO Cn1c(Cl)cnc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000263782468 427571152 /nfs/dbraw/zinc/57/11/52/427571152.db2.gz FYMLLHPGDZPKFA-UHFFFAOYSA-N 1 2 315.160 2.925 20 5 DFBDLO CCCN(CC)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000298355740 427583780 /nfs/dbraw/zinc/58/37/80/427583780.db2.gz SWFSITADWMDCLA-UHFFFAOYSA-N 1 2 302.334 2.653 20 5 DFBDLO CCC1(CC)C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[S@@]1=O ZINC000185287747 427627519 /nfs/dbraw/zinc/62/75/19/427627519.db2.gz DOYFVPLFBUFAKQ-NRFANRHFSA-N 1 2 310.419 2.718 20 5 DFBDLO CCC1(CC)C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC[S@@]1=O ZINC000185287747 427627528 /nfs/dbraw/zinc/62/75/28/427627528.db2.gz DOYFVPLFBUFAKQ-NRFANRHFSA-N 1 2 310.419 2.718 20 5 DFBDLO COc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000279310536 427635144 /nfs/dbraw/zinc/63/51/44/427635144.db2.gz NAPVHGVUOURSMD-MEDUHNTESA-N 1 2 306.362 2.603 20 5 DFBDLO COc1ccc(C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000279310536 427635152 /nfs/dbraw/zinc/63/51/52/427635152.db2.gz NAPVHGVUOURSMD-MEDUHNTESA-N 1 2 306.362 2.603 20 5 DFBDLO C[NH+](C)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000192929265 427636082 /nfs/dbraw/zinc/63/60/82/427636082.db2.gz RLFWUJRGMFMCFU-UHFFFAOYSA-N 1 2 315.329 2.614 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000339053387 427650945 /nfs/dbraw/zinc/65/09/45/427650945.db2.gz DLFHWELWTUHISE-NUEKZKHPSA-N 1 2 318.373 2.738 20 5 DFBDLO Cc1c[nH+]ccc1CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000342777831 272052936 /nfs/dbraw/zinc/05/29/36/272052936.db2.gz KAQUJOLRFJPGOH-UHFFFAOYSA-N 1 2 315.358 2.958 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+](CCO)CC1CCCCC1 ZINC000339090763 427672918 /nfs/dbraw/zinc/67/29/18/427672918.db2.gz MTGOBSTWDDZKJJ-UHFFFAOYSA-N 1 2 308.378 2.675 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](CCO)CC1CCCCC1 ZINC000339090763 427672923 /nfs/dbraw/zinc/67/29/23/427672923.db2.gz MTGOBSTWDDZKJJ-UHFFFAOYSA-N 1 2 308.378 2.675 20 5 DFBDLO CC[C@H](C)[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)OC ZINC000343604909 272181539 /nfs/dbraw/zinc/18/15/39/272181539.db2.gz ODLYXFMDYIOHJJ-XOVSCCBYSA-N 1 2 306.362 2.882 20 5 DFBDLO CC[C@H](C)[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)OC ZINC000343604909 272181542 /nfs/dbraw/zinc/18/15/42/272181542.db2.gz ODLYXFMDYIOHJJ-XOVSCCBYSA-N 1 2 306.362 2.882 20 5 DFBDLO O=[N+]([O-])c1ccc(NCc2ccccc2Cn2cc[nH+]c2)cn1 ZINC000344422863 272329834 /nfs/dbraw/zinc/32/98/34/272329834.db2.gz CMHIMMCYEOAYAI-UHFFFAOYSA-N 1 2 309.329 2.847 20 5 DFBDLO CN(CCCn1cc[nH+]c1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295078276 427685938 /nfs/dbraw/zinc/68/59/38/427685938.db2.gz WNESHNGNGFYAHU-UHFFFAOYSA-N 1 2 322.752 2.607 20 5 DFBDLO Cc1c(C[NH+]2CCN(C(=O)C(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000298719108 427686829 /nfs/dbraw/zinc/68/68/29/427686829.db2.gz KSLORRWTNQOMQP-UHFFFAOYSA-N 1 2 319.405 2.594 20 5 DFBDLO COCC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC000339131069 427694653 /nfs/dbraw/zinc/69/46/53/427694653.db2.gz FYULOLZMPDVTIC-OCCSQVGLSA-N 1 2 308.378 2.937 20 5 DFBDLO COCC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC000339131069 427694657 /nfs/dbraw/zinc/69/46/57/427694657.db2.gz FYULOLZMPDVTIC-OCCSQVGLSA-N 1 2 308.378 2.937 20 5 DFBDLO COCC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C ZINC000339138166 427696337 /nfs/dbraw/zinc/69/63/37/427696337.db2.gz ULMSYZZMLZEYDY-SWLSCSKDSA-N 1 2 308.378 2.937 20 5 DFBDLO COCC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C ZINC000339138166 427696341 /nfs/dbraw/zinc/69/63/41/427696341.db2.gz ULMSYZZMLZEYDY-SWLSCSKDSA-N 1 2 308.378 2.937 20 5 DFBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000193865223 427720653 /nfs/dbraw/zinc/72/06/53/427720653.db2.gz RRLOZUBQZJWTGG-ZDUSSCGKSA-N 1 2 316.361 2.576 20 5 DFBDLO O=[N+]([O-])c1cnc(N2CCC(CCCn3cc[nH+]c3)CC2)s1 ZINC000336963579 427780924 /nfs/dbraw/zinc/78/09/24/427780924.db2.gz DSZKUILRGKJXHG-UHFFFAOYSA-N 1 2 321.406 2.945 20 5 DFBDLO Cc1cc(NCC[C@@H](C)O)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301286917 427786965 /nfs/dbraw/zinc/78/69/65/427786965.db2.gz LYRFKSJHCGNXQJ-LLVKDONJSA-N 1 2 302.334 2.543 20 5 DFBDLO COCC1=CC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000185899017 427727212 /nfs/dbraw/zinc/72/72/12/427727212.db2.gz GWKQPSBCSNUPEL-UHFFFAOYSA-N 1 2 310.325 2.521 20 5 DFBDLO COCC1=CC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000185899017 427727217 /nfs/dbraw/zinc/72/72/17/427727217.db2.gz GWKQPSBCSNUPEL-UHFFFAOYSA-N 1 2 310.325 2.521 20 5 DFBDLO Cc1cc(NCc2ccon2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301469228 427798157 /nfs/dbraw/zinc/79/81/57/427798157.db2.gz HUVNVDRFGVDESY-UHFFFAOYSA-N 1 2 311.301 2.960 20 5 DFBDLO CC[C@](C)(CO)Nc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301527052 427802790 /nfs/dbraw/zinc/80/27/90/427802790.db2.gz IFCNPHTWYCODFG-MRXNPFEDSA-N 1 2 316.361 2.933 20 5 DFBDLO O=[N+]([O-])c1cnc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000301654103 427812798 /nfs/dbraw/zinc/81/27/98/427812798.db2.gz UPLBYAZRQMSXKH-GFCCVEGCSA-N 1 2 320.736 2.696 20 5 DFBDLO O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c(F)c1 ZINC000301789503 427824216 /nfs/dbraw/zinc/82/42/16/427824216.db2.gz YEWVVHDIFAGOSY-LLVKDONJSA-N 1 2 302.309 2.820 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000339773698 427827160 /nfs/dbraw/zinc/82/71/60/427827160.db2.gz WYBMNCWNDWRDEG-MRXNPFEDSA-N 1 2 320.389 2.994 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000339773698 427827162 /nfs/dbraw/zinc/82/71/62/427827162.db2.gz WYBMNCWNDWRDEG-MRXNPFEDSA-N 1 2 320.389 2.994 20 5 DFBDLO Cc1nc(NCCc2ccccc2[N+](=O)[O-])c2c([nH+]1)CCCC2 ZINC000359707474 427981415 /nfs/dbraw/zinc/98/14/15/427981415.db2.gz SSNNYMBGUURXAU-UHFFFAOYSA-N 1 2 312.373 3.227 20 5 DFBDLO CN(C[C@@H](O)C(F)(F)F)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413227718 427996168 /nfs/dbraw/zinc/99/61/68/427996168.db2.gz PPCLZATXAQFHSW-LLVKDONJSA-N 1 2 315.251 2.502 20 5 DFBDLO Cc1cccc(CCNc2nc3ccccc3cc2[N+](=O)[O-])[nH+]1 ZINC000359845014 428041255 /nfs/dbraw/zinc/04/12/55/428041255.db2.gz LGWQFQXLFLTVPZ-UHFFFAOYSA-N 1 2 308.341 3.501 20 5 DFBDLO CN(CCc1ccccc1[N+](=O)[O-])c1cc(NC2CC2)[nH+]cn1 ZINC000413275850 428010196 /nfs/dbraw/zinc/01/01/96/428010196.db2.gz BTFHRNGVIIFOIJ-UHFFFAOYSA-N 1 2 313.361 2.638 20 5 DFBDLO CN(CCc1ccccc1[N+](=O)[O-])c1cc(NC2CC2)nc[nH+]1 ZINC000413275850 428010200 /nfs/dbraw/zinc/01/02/00/428010200.db2.gz BTFHRNGVIIFOIJ-UHFFFAOYSA-N 1 2 313.361 2.638 20 5 DFBDLO COc1cc[nH+]cc1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413280791 428010613 /nfs/dbraw/zinc/01/06/13/428010613.db2.gz LSTCSQVWPQHHCG-QWHCGFSZSA-N 1 2 313.313 2.741 20 5 DFBDLO Cc1cc(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000359909293 428072214 /nfs/dbraw/zinc/07/22/14/428072214.db2.gz HWECTOWIBWJJHO-NWDGAFQWSA-N 1 2 311.357 2.563 20 5 DFBDLO CC[C@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000369878502 428081278 /nfs/dbraw/zinc/08/12/78/428081278.db2.gz ROCCTSKZRMRAIN-HOCLYGCPSA-N 1 2 324.352 2.504 20 5 DFBDLO CC[C@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000369878502 428081283 /nfs/dbraw/zinc/08/12/83/428081283.db2.gz ROCCTSKZRMRAIN-HOCLYGCPSA-N 1 2 324.352 2.504 20 5 DFBDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000359993180 428108179 /nfs/dbraw/zinc/10/81/79/428108179.db2.gz QEFDJDHKDJNWJE-UHFFFAOYSA-N 1 2 322.324 2.711 20 5 DFBDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1ccccc1[N+](=O)[O-] ZINC000359995409 428108725 /nfs/dbraw/zinc/10/87/25/428108725.db2.gz YIJHUWZDLNENIM-UHFFFAOYSA-N 1 2 322.324 2.711 20 5 DFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(C2CC2)no1 ZINC000352571121 428154133 /nfs/dbraw/zinc/15/41/33/428154133.db2.gz QMFUEAWVEWFAIE-UHFFFAOYSA-N 1 2 302.334 2.530 20 5 DFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(C2CC2)no1 ZINC000352571121 428154137 /nfs/dbraw/zinc/15/41/37/428154137.db2.gz QMFUEAWVEWFAIE-UHFFFAOYSA-N 1 2 302.334 2.530 20 5 DFBDLO CC(C)Cn1ncnc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000352776809 428241941 /nfs/dbraw/zinc/24/19/41/428241941.db2.gz DOBGOQRAHYTJRB-LBPRGKRZSA-N 1 2 303.366 2.693 20 5 DFBDLO Cc1ccc2[nH+]c(CNC(=O)c3cccc([N+](=O)[O-])c3C)cn2c1 ZINC000342152678 428325699 /nfs/dbraw/zinc/32/56/99/428325699.db2.gz HSEAHDYOYKRJJJ-UHFFFAOYSA-N 1 2 324.340 2.789 20 5 DFBDLO CN(C)c1ccccc1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000352996409 428343508 /nfs/dbraw/zinc/34/35/08/428343508.db2.gz GWEANLHSSKAILL-UHFFFAOYSA-N 1 2 312.373 2.614 20 5 DFBDLO CN(C)c1ccccc1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000352996409 428343512 /nfs/dbraw/zinc/34/35/12/428343512.db2.gz GWEANLHSSKAILL-UHFFFAOYSA-N 1 2 312.373 2.614 20 5 DFBDLO Cc1cc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000378398384 428388639 /nfs/dbraw/zinc/38/86/39/428388639.db2.gz FJHCMHCIABQQBY-ZDUSSCGKSA-N 1 2 300.318 2.604 20 5 DFBDLO COc1ccc(C[NH2+][C@@H]2COc3cccc(F)c32)cc1[N+](=O)[O-] ZINC000360714975 428413251 /nfs/dbraw/zinc/41/32/51/428413251.db2.gz RSQSOTGCBKQPTM-GFCCVEGCSA-N 1 2 318.304 2.966 20 5 DFBDLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000353356473 428499606 /nfs/dbraw/zinc/49/96/06/428499606.db2.gz VRSPRIWCHBXWCR-ZDUSSCGKSA-N 1 2 315.333 2.601 20 5 DFBDLO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000361139649 428539449 /nfs/dbraw/zinc/53/94/49/428539449.db2.gz HFCOTTUTUHYSMZ-IAQYHMDHSA-N 1 2 306.362 2.677 20 5 DFBDLO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000361139649 428539454 /nfs/dbraw/zinc/53/94/54/428539454.db2.gz HFCOTTUTUHYSMZ-IAQYHMDHSA-N 1 2 306.362 2.677 20 5 DFBDLO Cn1cc[nH+]c1[C@H](NCc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000353449210 428540639 /nfs/dbraw/zinc/54/06/39/428540639.db2.gz PZEGLBVNZOYDGJ-OAHLLOKOSA-N 1 2 312.329 2.801 20 5 DFBDLO Cn1c2ccccc2[nH+]c1N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000357829917 428565620 /nfs/dbraw/zinc/56/56/20/428565620.db2.gz SPJGWBFIKHZVHG-UHFFFAOYSA-N 1 2 324.340 2.881 20 5 DFBDLO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000343992733 428602571 /nfs/dbraw/zinc/60/25/71/428602571.db2.gz NNTYQMUVAVNLIQ-AWEZNQCLSA-N 1 2 318.377 2.920 20 5 DFBDLO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000343992733 428602578 /nfs/dbraw/zinc/60/25/78/428602578.db2.gz NNTYQMUVAVNLIQ-AWEZNQCLSA-N 1 2 318.377 2.920 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000373624230 428623606 /nfs/dbraw/zinc/62/36/06/428623606.db2.gz SVYQJSJCDXUXMX-GFCCVEGCSA-N 1 2 314.345 2.609 20 5 DFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@@H](C)[C@H]1C ZINC000292865663 274202735 /nfs/dbraw/zinc/20/27/35/274202735.db2.gz AQTQEYVFGFQOBL-BBBLOLIVSA-N 1 2 311.769 2.915 20 5 DFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@@H](C)[C@H]1C ZINC000292865663 274202738 /nfs/dbraw/zinc/20/27/38/274202738.db2.gz AQTQEYVFGFQOBL-BBBLOLIVSA-N 1 2 311.769 2.915 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000348220134 428664109 /nfs/dbraw/zinc/66/41/09/428664109.db2.gz BXQLAFCYTPQQNJ-SJKOYZFVSA-N 1 2 320.389 2.993 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000348220134 428664114 /nfs/dbraw/zinc/66/41/14/428664114.db2.gz BXQLAFCYTPQQNJ-SJKOYZFVSA-N 1 2 320.389 2.993 20 5 DFBDLO Cn1c[nH+]c2c1CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000374235628 428670980 /nfs/dbraw/zinc/67/09/80/428670980.db2.gz NGUUVVTYXZPLLK-UHFFFAOYSA-N 1 2 306.753 2.540 20 5 DFBDLO CCOC(=O)[C@@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000344706000 428697012 /nfs/dbraw/zinc/69/70/12/428697012.db2.gz ODSFXKLQNGMFAK-KKTNHOPESA-N 1 2 304.346 2.636 20 5 DFBDLO CCOC(=O)[C@@H]1CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000344706000 428697018 /nfs/dbraw/zinc/69/70/18/428697018.db2.gz ODSFXKLQNGMFAK-KKTNHOPESA-N 1 2 304.346 2.636 20 5 DFBDLO COc1cc[nH+]cc1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000348336277 428711268 /nfs/dbraw/zinc/71/12/68/428711268.db2.gz SJNOCJJRQQDJIB-UHFFFAOYSA-N 1 2 321.720 2.582 20 5 DFBDLO CC(C)N1C(=O)C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000362353816 428716272 /nfs/dbraw/zinc/71/62/72/428716272.db2.gz QFQOQLVLFYZMSI-CYBMUJFWSA-N 1 2 319.405 2.987 20 5 DFBDLO CC(C)N1C(=O)C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000362353816 428716277 /nfs/dbraw/zinc/71/62/77/428716277.db2.gz QFQOQLVLFYZMSI-CYBMUJFWSA-N 1 2 319.405 2.987 20 5 DFBDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)[C@H]2C1 ZINC000374858081 428764364 /nfs/dbraw/zinc/76/43/64/428764364.db2.gz BYOOMIPCXPLMTM-UHOFOFEASA-N 1 2 324.352 2.502 20 5 DFBDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)[C@H]2C1 ZINC000374858081 428764369 /nfs/dbraw/zinc/76/43/69/428764369.db2.gz BYOOMIPCXPLMTM-UHOFOFEASA-N 1 2 324.352 2.502 20 5 DFBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000374857570 428764409 /nfs/dbraw/zinc/76/44/09/428764409.db2.gz SGGVXWHMWXARID-LBPRGKRZSA-N 1 2 301.306 2.687 20 5 DFBDLO COc1ccc2c(c1)OCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000374854115 428765466 /nfs/dbraw/zinc/76/54/66/428765466.db2.gz HTFWPAITQSTKMG-UHFFFAOYSA-N 1 2 314.341 2.998 20 5 DFBDLO COc1ccc2c(c1)OCC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000374854115 428765471 /nfs/dbraw/zinc/76/54/71/428765471.db2.gz HTFWPAITQSTKMG-UHFFFAOYSA-N 1 2 314.341 2.998 20 5 DFBDLO CC[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H](C)[S@]1=O ZINC000348555062 428786477 /nfs/dbraw/zinc/78/64/77/428786477.db2.gz ZGMOLQRICSNZFR-MZNHUVNISA-N 1 2 322.430 2.839 20 5 DFBDLO CC[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H](C)[S@]1=O ZINC000348555062 428786481 /nfs/dbraw/zinc/78/64/81/428786481.db2.gz ZGMOLQRICSNZFR-MZNHUVNISA-N 1 2 322.430 2.839 20 5 DFBDLO C[N@H+](Cc1ccoc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000345095358 428752031 /nfs/dbraw/zinc/75/20/31/428752031.db2.gz IPPLALNJUWTAEP-UHFFFAOYSA-N 1 2 304.302 2.686 20 5 DFBDLO C[N@@H+](Cc1ccoc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000345095358 428752037 /nfs/dbraw/zinc/75/20/37/428752037.db2.gz IPPLALNJUWTAEP-UHFFFAOYSA-N 1 2 304.302 2.686 20 5 DFBDLO CC[N@H+](Cc1occc1C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000412027361 428913589 /nfs/dbraw/zinc/91/35/89/428913589.db2.gz PBEFYUQOOWDSRO-UHFFFAOYSA-N 1 2 317.345 2.617 20 5 DFBDLO CC[N@@H+](Cc1occc1C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000412027361 428913594 /nfs/dbraw/zinc/91/35/94/428913594.db2.gz PBEFYUQOOWDSRO-UHFFFAOYSA-N 1 2 317.345 2.617 20 5 DFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000433020427 428980538 /nfs/dbraw/zinc/98/05/38/428980538.db2.gz CIORYXGZUKFCJD-WZWPTQFQSA-N 1 2 322.430 2.699 20 5 DFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000433020427 428980542 /nfs/dbraw/zinc/98/05/42/428980542.db2.gz CIORYXGZUKFCJD-WZWPTQFQSA-N 1 2 322.430 2.699 20 5 DFBDLO COc1ccc(CNc2cc(NC3CC3)[nH+]cn2)cc1[N+](=O)[O-] ZINC000413061711 429129753 /nfs/dbraw/zinc/12/97/53/429129753.db2.gz CPHCWMBSIIDGLR-UHFFFAOYSA-N 1 2 315.333 2.580 20 5 DFBDLO COc1ccc(CNc2cc(NC3CC3)nc[nH+]2)cc1[N+](=O)[O-] ZINC000413061711 429129757 /nfs/dbraw/zinc/12/97/57/429129757.db2.gz CPHCWMBSIIDGLR-UHFFFAOYSA-N 1 2 315.333 2.580 20 5 DFBDLO O=[N+]([O-])c1ccc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000367459787 275035357 /nfs/dbraw/zinc/03/53/57/275035357.db2.gz WEKGCIYGHMPGCZ-GFCCVEGCSA-N 1 2 317.305 2.563 20 5 DFBDLO Cc1cc(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)ccc1[N+](=O)[O-] ZINC000456350008 429284522 /nfs/dbraw/zinc/28/45/22/429284522.db2.gz HRZSHIPPZAFATH-PWSUYJOCSA-N 1 2 300.318 2.536 20 5 DFBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1ccc([N+](=O)[O-])nc1 ZINC000489655804 429255163 /nfs/dbraw/zinc/25/51/63/429255163.db2.gz NXRWHXZBXOSYIQ-UHFFFAOYSA-N 1 2 323.356 2.871 20 5 DFBDLO Cc1c(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)cccc1[N+](=O)[O-] ZINC000456386887 429294466 /nfs/dbraw/zinc/29/44/66/429294466.db2.gz OYQWDGMKOMATGM-JOYOIKCWSA-N 1 2 300.318 2.536 20 5 DFBDLO Cc1sc(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000456400236 429298874 /nfs/dbraw/zinc/29/88/74/429298874.db2.gz VECOPFPCKPLYLB-IONNQARKSA-N 1 2 306.347 2.597 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456396565 429298953 /nfs/dbraw/zinc/29/89/53/429298953.db2.gz SULILIPHCPDPJM-GWCFXTLKSA-N 1 2 300.318 2.536 20 5 DFBDLO Cc1ccc(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000456408632 429300095 /nfs/dbraw/zinc/30/00/95/429300095.db2.gz ZFMKKKKFIUMQSN-JQWIXIFHSA-N 1 2 300.318 2.536 20 5 DFBDLO COc1ccc(C(=O)NCc2c[nH+]c(C)cc2C)cc1[N+](=O)[O-] ZINC000456857904 429356410 /nfs/dbraw/zinc/35/64/10/429356410.db2.gz LCSFNUNZERXATL-UHFFFAOYSA-N 1 2 315.329 2.545 20 5 DFBDLO Cc1c[nH]c(-c2ccccc2NC(=O)c2cc([N+](=O)[O-])c[nH]2)[nH+]1 ZINC000427194115 429439667 /nfs/dbraw/zinc/43/96/67/429439667.db2.gz XVXFUKUYAUFGMN-UHFFFAOYSA-N 1 2 311.301 2.874 20 5 DFBDLO COC(=O)[C@H](CC(C)C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000429133376 429581934 /nfs/dbraw/zinc/58/19/34/429581934.db2.gz OGSBPEMSHMVUAU-HNNXBMFYSA-N 1 2 308.378 2.923 20 5 DFBDLO COC(=O)[C@H](CC(C)C)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000429133376 429581936 /nfs/dbraw/zinc/58/19/36/429581936.db2.gz OGSBPEMSHMVUAU-HNNXBMFYSA-N 1 2 308.378 2.923 20 5 DFBDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000492904360 429640631 /nfs/dbraw/zinc/64/06/31/429640631.db2.gz XKHIDXGTRBNQGK-VOTSOKGWSA-N 1 2 318.308 2.911 20 5 DFBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@]2(CCCOC2)O1 ZINC000367222504 429599170 /nfs/dbraw/zinc/59/91/70/429599170.db2.gz BCVHHCZIQSYYIY-LRDDRELGSA-N 1 2 324.352 2.504 20 5 DFBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@]2(CCCOC2)O1 ZINC000367222504 429599173 /nfs/dbraw/zinc/59/91/73/429599173.db2.gz BCVHHCZIQSYYIY-LRDDRELGSA-N 1 2 324.352 2.504 20 5 DFBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H]1CC1(C)C ZINC000451261849 429799308 /nfs/dbraw/zinc/79/93/08/429799308.db2.gz WMAFLRFJYGEWSC-CQSZACIVSA-N 1 2 314.345 2.651 20 5 DFBDLO C[C@H]([NH2+]Cc1nnc(C2CCC2)n1C)c1ccc([N+](=O)[O-])cc1 ZINC000451103007 429767761 /nfs/dbraw/zinc/76/77/61/429767761.db2.gz LYIQKXWPIWHFEA-NSHDSACASA-N 1 2 315.377 2.842 20 5 DFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C(C)C)C1COC1 ZINC000451120311 429771792 /nfs/dbraw/zinc/77/17/92/429771792.db2.gz KRVSAQNZWQQNJK-UHFFFAOYSA-N 1 2 308.378 2.991 20 5 DFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C(C)C)C1COC1 ZINC000451120311 429771797 /nfs/dbraw/zinc/77/17/97/429771797.db2.gz KRVSAQNZWQQNJK-UHFFFAOYSA-N 1 2 308.378 2.991 20 5 DFBDLO CCOC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544717 429850277 /nfs/dbraw/zinc/85/02/77/429850277.db2.gz FMVKQVRFHPAOJX-TZMCWYRMSA-N 1 2 306.362 2.726 20 5 DFBDLO CCOC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544717 429850281 /nfs/dbraw/zinc/85/02/81/429850281.db2.gz FMVKQVRFHPAOJX-TZMCWYRMSA-N 1 2 306.362 2.726 20 5 DFBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ccc(F)cc1[N+](=O)[O-] ZINC000369343499 429925887 /nfs/dbraw/zinc/92/58/87/429925887.db2.gz LRNMARKCPPLMGL-UHFFFAOYSA-N 1 2 304.325 2.903 20 5 DFBDLO Cc1c[nH+]c(C)nc1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000580901775 430161336 /nfs/dbraw/zinc/16/13/36/430161336.db2.gz BDXXMAYUWCJBLN-UHFFFAOYSA-N 1 2 306.753 3.310 20 5 DFBDLO Cc1cc(NCCOc2ccc([N+](=O)[O-])cc2)nc(C(C)C)[nH+]1 ZINC000531599733 430145599 /nfs/dbraw/zinc/14/55/99/430145599.db2.gz GTKAGZJAHNLMPV-UHFFFAOYSA-N 1 2 316.361 3.308 20 5 DFBDLO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2C1 ZINC000171481238 277098272 /nfs/dbraw/zinc/09/82/72/277098272.db2.gz UBXPTOGWEFQSEC-UHFFFAOYSA-N 1 2 317.370 2.749 20 5 DFBDLO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2C1 ZINC000171481238 277098273 /nfs/dbraw/zinc/09/82/73/277098273.db2.gz UBXPTOGWEFQSEC-UHFFFAOYSA-N 1 2 317.370 2.749 20 5 DFBDLO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000360556004 277138830 /nfs/dbraw/zinc/13/88/30/277138830.db2.gz FGPMLQLXKSQTMR-IAQYHMDHSA-N 1 2 306.362 2.677 20 5 DFBDLO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000360556004 277138832 /nfs/dbraw/zinc/13/88/32/277138832.db2.gz FGPMLQLXKSQTMR-IAQYHMDHSA-N 1 2 306.362 2.677 20 5 DFBDLO CCOC(=O)[C@H](CC(C)C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000542931554 430231898 /nfs/dbraw/zinc/23/18/98/430231898.db2.gz GDPHEJWZDCTFHJ-HNNXBMFYSA-N 1 2 308.378 2.705 20 5 DFBDLO Cc1cc[nH+]cc1N1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000542947634 430232756 /nfs/dbraw/zinc/23/27/56/430232756.db2.gz JRPKQBSRFMNWGM-UHFFFAOYSA-N 1 2 312.373 2.933 20 5 DFBDLO C[C@@H]1C[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H](C)S1 ZINC000547853346 430429099 /nfs/dbraw/zinc/42/90/99/430429099.db2.gz GMZXQNWUGSRBEJ-NXEZZACHSA-N 1 2 306.391 2.797 20 5 DFBDLO CCCN1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1=O ZINC000588564292 430483429 /nfs/dbraw/zinc/48/34/29/430483429.db2.gz LKACREXDWMZKFF-YVMONPNESA-N 1 2 317.389 2.552 20 5 DFBDLO CCCN1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1=O ZINC000588564292 430483435 /nfs/dbraw/zinc/48/34/35/430483435.db2.gz LKACREXDWMZKFF-YVMONPNESA-N 1 2 317.389 2.552 20 5 DFBDLO CC(C)n1cc(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)nn1 ZINC000571894242 430659923 /nfs/dbraw/zinc/65/99/23/430659923.db2.gz FULHNYVWJIGANJ-UHFFFAOYSA-N 1 2 312.333 2.928 20 5 DFBDLO Cc1ccc(N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)c([N+](=O)[O-])c1 ZINC000301509314 278821704 /nfs/dbraw/zinc/82/17/04/278821704.db2.gz DRMXONGOXYBIMQ-GFCCVEGCSA-N 1 2 320.418 2.517 20 5 DFBDLO Cc1[nH+]c2n(c1C)CCN(c1nc3ccccc3cc1[N+](=O)[O-])C2 ZINC000373702442 279133275 /nfs/dbraw/zinc/13/32/75/279133275.db2.gz XZDNIQDTHWHQLW-UHFFFAOYSA-N 1 2 323.356 2.977 20 5 DFBDLO Cn1cc([C@@H]2CCCC[N@@H+]2Cc2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000331946068 279346649 /nfs/dbraw/zinc/34/66/49/279346649.db2.gz SAEZHXZSZBXNTK-HNNXBMFYSA-N 1 2 316.361 2.761 20 5 DFBDLO Cn1cc([C@@H]2CCCC[N@H+]2Cc2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000331946068 279346651 /nfs/dbraw/zinc/34/66/51/279346651.db2.gz SAEZHXZSZBXNTK-HNNXBMFYSA-N 1 2 316.361 2.761 20 5 DFBDLO Cc1c(C[N@H+]2CCC[C@@H]2c2nccn2C)cccc1[N+](=O)[O-] ZINC000378373035 280225467 /nfs/dbraw/zinc/22/54/67/280225467.db2.gz WPUQIZRZWKFSJD-OAHLLOKOSA-N 1 2 300.362 2.974 20 5 DFBDLO Cc1c(C[N@@H+]2CCC[C@@H]2c2nccn2C)cccc1[N+](=O)[O-] ZINC000378373035 280225468 /nfs/dbraw/zinc/22/54/68/280225468.db2.gz WPUQIZRZWKFSJD-OAHLLOKOSA-N 1 2 300.362 2.974 20 5 DFBDLO CN(C)c1[nH+]cccc1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153582761 289052255 /nfs/dbraw/zinc/05/22/55/289052255.db2.gz MJTSJBKBUZBASX-UHFFFAOYSA-N 1 2 307.741 2.716 20 5 DFBDLO O=C(N[C@H]1C=CCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000157609796 295350849 /nfs/dbraw/zinc/35/08/49/295350849.db2.gz OAGYBOICSZMPJJ-ZDUSSCGKSA-N 1 2 312.329 2.619 20 5 DFBDLO CC[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1[nH]cc[nH+]1 ZINC000442802890 297207456 /nfs/dbraw/zinc/20/74/56/297207456.db2.gz RGLUPBLSFAKLHK-LLVKDONJSA-N 1 2 314.301 2.945 20 5 DFBDLO Cc1[nH+]c[nH]c1CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000446230691 297278737 /nfs/dbraw/zinc/27/87/37/297278737.db2.gz CWWUPMCJXURTMH-UHFFFAOYSA-N 1 2 308.725 2.518 20 5 DFBDLO CCN(CC(C)C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448673633 297355221 /nfs/dbraw/zinc/35/52/21/297355221.db2.gz TTYKLDLTLZKRBC-UHFFFAOYSA-N 1 2 316.361 2.899 20 5 DFBDLO CCn1cc[nH+]c1[C@H](C)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000450831383 297696654 /nfs/dbraw/zinc/69/66/54/297696654.db2.gz PONHTTWSPBIUCL-QMMMGPOBSA-N 1 2 306.351 2.694 20 5 DFBDLO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000453612256 298105674 /nfs/dbraw/zinc/10/56/74/298105674.db2.gz AQBHMDFUVJIHCE-UHFFFAOYSA-N 1 2 318.377 2.692 20 5 DFBDLO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000453612256 298105676 /nfs/dbraw/zinc/10/56/76/298105676.db2.gz AQBHMDFUVJIHCE-UHFFFAOYSA-N 1 2 318.377 2.692 20 5 DFBDLO Cc1c(NC(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)cccc1[N+](=O)[O-] ZINC000454203322 298135334 /nfs/dbraw/zinc/13/53/34/298135334.db2.gz QSNMPEXPWWEZNY-SKDRFNHKSA-N 1 2 315.333 2.927 20 5 DFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000454334041 298157673 /nfs/dbraw/zinc/15/76/73/298157673.db2.gz SWKRFQTWWXOWCP-SNVBAGLBSA-N 1 2 303.322 2.694 20 5 DFBDLO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1(C(F)F)CC1 ZINC000503915166 300222158 /nfs/dbraw/zinc/22/21/58/300222158.db2.gz ZCDJMWRFPACVLT-SECBINFHSA-N 1 2 313.304 2.699 20 5 DFBDLO C[C@@]1(O)CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000515514829 300311708 /nfs/dbraw/zinc/31/17/08/300311708.db2.gz XRYZMAFGIRGZKW-MRXNPFEDSA-N 1 2 301.346 2.884 20 5 DFBDLO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC2(CCC2)O1 ZINC000516925082 300369328 /nfs/dbraw/zinc/36/93/28/300369328.db2.gz GBLDULHZTNFZCD-NSHDSACASA-N 1 2 317.345 2.879 20 5 DFBDLO C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC2(CCC2)O1 ZINC000516925082 300369331 /nfs/dbraw/zinc/36/93/31/300369331.db2.gz GBLDULHZTNFZCD-NSHDSACASA-N 1 2 317.345 2.879 20 5 DFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC(n2cc[nH+]c2)C1 ZINC000531831233 301113738 /nfs/dbraw/zinc/11/37/38/301113738.db2.gz JAGYBWDTTYOORE-UHFFFAOYSA-N 1 2 312.251 2.871 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000533071789 301184680 /nfs/dbraw/zinc/18/46/80/301184680.db2.gz PFDGDBZYDDOTES-UHFFFAOYSA-N 1 2 314.341 2.867 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2ccc(O)cc2C1 ZINC000533071789 301184683 /nfs/dbraw/zinc/18/46/83/301184683.db2.gz PFDGDBZYDDOTES-UHFFFAOYSA-N 1 2 314.341 2.867 20 5 DFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000533290349 301193709 /nfs/dbraw/zinc/19/37/09/301193709.db2.gz AWEXIWDRXUJSGG-IJLUTSLNSA-N 1 2 323.418 2.748 20 5 DFBDLO O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000540852359 301371154 /nfs/dbraw/zinc/37/11/54/301371154.db2.gz SWKPHNYDVGVHJC-UHFFFAOYSA-N 1 2 322.324 2.915 20 5 DFBDLO Cc1cc(NC(=O)CSc2ccccc2[N+](=O)[O-])c(C)c[nH+]1 ZINC000544086038 301443115 /nfs/dbraw/zinc/44/31/15/301443115.db2.gz VRCJIUDBGISEPE-UHFFFAOYSA-N 1 2 317.370 2.759 20 5 DFBDLO CC(C)Oc1nc(N(C)CCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000563730657 302095562 /nfs/dbraw/zinc/09/55/62/302095562.db2.gz IUGWCTVJJIMLKL-UHFFFAOYSA-N 1 2 319.365 2.500 20 5 DFBDLO COc1cccc([N+](=O)[O-])c1NCCc1cn2ccccc2[nH+]1 ZINC000567082416 302334277 /nfs/dbraw/zinc/33/42/77/302334277.db2.gz ATYQAWSXUYLJST-UHFFFAOYSA-N 1 2 312.329 2.906 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCn1cc(Cl)cn1)CC2 ZINC000459336607 317320992 /nfs/dbraw/zinc/32/09/92/317320992.db2.gz CKMNZWDUYTZTIF-UHFFFAOYSA-N 1 2 306.753 2.503 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCn1cc(Cl)cn1)CC2 ZINC000459336607 317320996 /nfs/dbraw/zinc/32/09/96/317320996.db2.gz CKMNZWDUYTZTIF-UHFFFAOYSA-N 1 2 306.753 2.503 20 5 DFBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CC1(C)C ZINC000489322220 317454340 /nfs/dbraw/zinc/45/43/40/317454340.db2.gz GXGUJPVHNLQQBG-CQSZACIVSA-N 1 2 314.345 2.651 20 5 DFBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc2[nH+]ccn21 ZINC000491916499 317611877 /nfs/dbraw/zinc/61/18/77/317611877.db2.gz RZMVQSYLKUMRFI-RMKNXTFCSA-N 1 2 308.297 2.894 20 5 DFBDLO Cc1c[nH]c(C(C)(C)NC(=O)CCc2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000566363842 317945738 /nfs/dbraw/zinc/94/57/38/317945738.db2.gz CRZUKUOWBCZQRO-UHFFFAOYSA-N 1 2 316.361 2.610 20 5 DFBDLO C[C@H](Nc1ncc([N+](=O)[O-])cn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000302112939 534033541 /nfs/dbraw/zinc/03/35/41/534033541.db2.gz QGTSFWGWSGBUDW-NSHDSACASA-N 1 2 310.317 2.744 20 5 DFBDLO Cc1cc(C2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)[nH]n1 ZINC000332476220 534143611 /nfs/dbraw/zinc/14/36/11/534143611.db2.gz WTWWONMKLCKADL-UHFFFAOYSA-N 1 2 316.361 2.712 20 5 DFBDLO Cc1cc(C2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000332476220 534143625 /nfs/dbraw/zinc/14/36/25/534143625.db2.gz WTWWONMKLCKADL-UHFFFAOYSA-N 1 2 316.361 2.712 20 5 DFBDLO CC(C)c1nnc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1C ZINC000296738742 528443353 /nfs/dbraw/zinc/44/33/53/528443353.db2.gz OQFPOZAJPAPGLX-NSHDSACASA-N 1 2 303.366 2.698 20 5 DFBDLO CCOCCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000299389000 528780519 /nfs/dbraw/zinc/78/05/19/528780519.db2.gz DNRWWSIKIQGHHI-UHFFFAOYSA-N 1 2 302.334 2.809 20 5 DFBDLO CC[C@@H]([NH2+]Cc1nccnc1OC)c1cccc([N+](=O)[O-])c1 ZINC000294944518 529191466 /nfs/dbraw/zinc/19/14/66/529191466.db2.gz BWCZRNPHPIAJMO-CYBMUJFWSA-N 1 2 302.334 2.634 20 5 DFBDLO CCc1c[nH+]ccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000358004849 536085853 /nfs/dbraw/zinc/08/58/53/536085853.db2.gz MMWZEAOCBCAFMO-UHFFFAOYSA-N 1 2 305.721 2.880 20 5 DFBDLO CCc1c[nH+]ccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000358278519 536086185 /nfs/dbraw/zinc/08/61/85/536086185.db2.gz GJXNVXZDNRUFAV-UHFFFAOYSA-N 1 2 311.297 2.973 20 5 DFBDLO CCc1c[nH+]ccc1NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000357584179 536086352 /nfs/dbraw/zinc/08/63/52/536086352.db2.gz RMWFBENGBDVNGN-UHFFFAOYSA-N 1 2 317.370 2.948 20 5 DFBDLO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCCCn1cc[nH+]c1 ZINC000278440174 214154666 /nfs/dbraw/zinc/15/46/66/214154666.db2.gz QMPRZPLJMRCOCF-UHFFFAOYSA-N 1 2 315.255 2.707 20 5 DFBDLO CC[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000317609068 529479444 /nfs/dbraw/zinc/47/94/44/529479444.db2.gz RPLZKHMXYVAAMO-LBPRGKRZSA-N 1 2 320.374 2.678 20 5 DFBDLO CN(CCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])c2ncccc12 ZINC000413192689 295684949 /nfs/dbraw/zinc/68/49/49/295684949.db2.gz JOBKTCRWMARKRK-UHFFFAOYSA-N 1 2 311.345 2.866 20 5 DFBDLO CC[C@H]([NH2+]Cc1cc(COC)on1)c1cccc([N+](=O)[O-])c1 ZINC000297347927 529623657 /nfs/dbraw/zinc/62/36/57/529623657.db2.gz DZANDNKLWCBVMW-HNNXBMFYSA-N 1 2 305.334 2.970 20 5 DFBDLO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000088559691 185257823 /nfs/dbraw/zinc/25/78/23/185257823.db2.gz DHSCKARXGQEYDR-SMDDNHRTSA-N 1 2 315.377 2.934 20 5 DFBDLO COC[C@@H](CCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)OC ZINC000596330897 398387494 /nfs/dbraw/zinc/38/74/94/398387494.db2.gz RRAJQHNYNQVENE-CYBMUJFWSA-N 1 2 305.334 2.606 20 5 DFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000592130186 398389515 /nfs/dbraw/zinc/38/95/15/398389515.db2.gz ZDNLIGUOVDXVPS-FZMZJTMJSA-N 1 2 311.332 2.681 20 5 DFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000592130186 398389517 /nfs/dbraw/zinc/38/95/17/398389517.db2.gz ZDNLIGUOVDXVPS-FZMZJTMJSA-N 1 2 311.332 2.681 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)Cc1[nH+]ccn1C ZINC000092736491 185337871 /nfs/dbraw/zinc/33/78/71/185337871.db2.gz OFOALQNCVXEASB-UHFFFAOYSA-N 1 2 317.349 2.609 20 5 DFBDLO O=[N+]([O-])c1ccc(NCc2cn3ccccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000015130654 398393310 /nfs/dbraw/zinc/39/33/10/398393310.db2.gz BRHDWCJWBXVSFU-UHFFFAOYSA-N 1 2 313.273 2.763 20 5 DFBDLO Cc1cnc(NCCc2[nH]c3ccc(F)cc3[nH+]2)c([N+](=O)[O-])c1 ZINC000085689324 398416765 /nfs/dbraw/zinc/41/67/65/398416765.db2.gz LOLPKVIGLBGMNQ-UHFFFAOYSA-N 1 2 315.308 2.968 20 5 DFBDLO Cc1ccnc(NCCc2[nH]c3ccc(F)cc3[nH+]2)c1[N+](=O)[O-] ZINC000085689310 398416990 /nfs/dbraw/zinc/41/69/90/398416990.db2.gz VVPRVSMKDSCWLU-UHFFFAOYSA-N 1 2 315.308 2.968 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CCCn1cc[nH+]c1 ZINC000086613724 398423112 /nfs/dbraw/zinc/42/31/12/398423112.db2.gz MXCDJOXDBZLLTI-UHFFFAOYSA-N 1 2 302.334 2.827 20 5 DFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCSC[C@@H]1CCO ZINC000330997800 232305752 /nfs/dbraw/zinc/30/57/52/232305752.db2.gz VIIOSIAIQBWCCJ-LBPRGKRZSA-N 1 2 316.810 2.548 20 5 DFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCSC[C@@H]1CCO ZINC000330997800 232305759 /nfs/dbraw/zinc/30/57/59/232305759.db2.gz VIIOSIAIQBWCCJ-LBPRGKRZSA-N 1 2 316.810 2.548 20 5 DFBDLO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H](C)O2 ZINC000279755214 215116485 /nfs/dbraw/zinc/11/64/85/215116485.db2.gz LUMMYOLSLLUSHN-HSMVNMDESA-N 1 2 324.352 2.502 20 5 DFBDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H](C)O2 ZINC000279755214 215116487 /nfs/dbraw/zinc/11/64/87/215116487.db2.gz LUMMYOLSLLUSHN-HSMVNMDESA-N 1 2 324.352 2.502 20 5 DFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)Cc2ccc(C)o2)c1 ZINC000589494487 398556366 /nfs/dbraw/zinc/55/63/66/398556366.db2.gz SCGAEOYTKOYMTL-UHFFFAOYSA-N 1 2 318.329 2.915 20 5 DFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)Cc2ccc(C)o2)c1 ZINC000589494487 398556370 /nfs/dbraw/zinc/55/63/70/398556370.db2.gz SCGAEOYTKOYMTL-UHFFFAOYSA-N 1 2 318.329 2.915 20 5 DFBDLO Cc1cccn2cc(CC(=O)Nc3cccc([N+](=O)[O-])c3)[nH+]c12 ZINC000041284267 398564961 /nfs/dbraw/zinc/56/49/61/398564961.db2.gz ZXEGCQPGUHBHSJ-UHFFFAOYSA-N 1 2 310.313 2.732 20 5 DFBDLO CCc1cc[nH+]cc1NCc1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000593221359 398574060 /nfs/dbraw/zinc/57/40/60/398574060.db2.gz AINGEXCLHYAIMY-UHFFFAOYSA-N 1 2 303.318 2.879 20 5 DFBDLO CC(C)(C)c1ccc(C(=O)NCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000041816247 398574257 /nfs/dbraw/zinc/57/42/57/398574257.db2.gz LXGUAPRZPKRXDB-UHFFFAOYSA-N 1 2 316.361 2.519 20 5 DFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1nnc(C)o1 ZINC000597200813 398589545 /nfs/dbraw/zinc/58/95/45/398589545.db2.gz ZIYBLPPRNQMARU-XFFZJAGNSA-N 1 2 302.334 2.822 20 5 DFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1nnc(C)o1 ZINC000597200813 398589547 /nfs/dbraw/zinc/58/95/47/398589547.db2.gz ZIYBLPPRNQMARU-XFFZJAGNSA-N 1 2 302.334 2.822 20 5 DFBDLO Cc1ccoc1C[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590053325 398592375 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2.672 20 5 DFBDLO CCc1cc(=O)[nH]c(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000271756042 209185987 /nfs/dbraw/zinc/18/59/87/209185987.db2.gz OACZLLMAFYOLSX-JTQLQIEISA-N 1 2 302.334 2.504 20 5 DFBDLO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000275142655 212147669 /nfs/dbraw/zinc/14/76/69/212147669.db2.gz QIWOFVLWHDKNAX-ZDUSSCGKSA-N 1 2 319.361 2.646 20 5 DFBDLO O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000275142655 212147672 /nfs/dbraw/zinc/14/76/72/212147672.db2.gz QIWOFVLWHDKNAX-ZDUSSCGKSA-N 1 2 319.361 2.646 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(c2ccon2)CC1 ZINC000595829117 399102782 /nfs/dbraw/zinc/10/27/82/399102782.db2.gz PONGVHVETGDOSC-UHFFFAOYSA-N 1 2 303.318 2.668 20 5 DFBDLO COc1ccc([N+](=O)[O-])c(N(C)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000338709312 284134932 /nfs/dbraw/zinc/13/49/32/284134932.db2.gz LALWRPDVDJYPMR-UHFFFAOYSA-N 1 2 316.361 2.773 20 5 DFBDLO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@H](CC(F)(F)F)C2)cc1 ZINC000595885731 399123211 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O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@H](n4cc[nH+]c4)C3)nc2c1 ZINC000618584846 399170916 /nfs/dbraw/zinc/17/09/16/399170916.db2.gz PFOJAWOMRBROHI-LBPRGKRZSA-N 1 2 312.333 2.509 20 5 DFBDLO O=[N+]([O-])c1cc(F)ccc1N1CC[NH+](Cc2ccco2)CC1 ZINC000198782001 399196819 /nfs/dbraw/zinc/19/68/19/399196819.db2.gz YSFYTWYTFQFCCE-UHFFFAOYSA-N 1 2 305.309 2.649 20 5 DFBDLO CC[C@H]1C[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H](CC)O1 ZINC000420952828 296216877 /nfs/dbraw/zinc/21/68/77/296216877.db2.gz IOPVLOBDTSKZHZ-KBPBESRZSA-N 1 2 308.378 2.993 20 5 DFBDLO C[C@@](CO)([NH2+]Cc1ccc(Cl)o1)c1cccc([N+](=O)[O-])c1 ZINC000601148413 399241166 /nfs/dbraw/zinc/24/11/66/399241166.db2.gz BMCALHGYAANFIU-AWEZNQCLSA-N 1 2 310.737 2.839 20 5 DFBDLO O=[N+]([O-])c1cc(F)cnc1NCc1ccc[nH+]c1N1CCCC1 ZINC000601192187 399252099 /nfs/dbraw/zinc/25/20/99/399252099.db2.gz UIJVEYDYDBISIJ-UHFFFAOYSA-N 1 2 317.324 2.736 20 5 DFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@]34CCOC4)co2)cc1 ZINC000421028675 296228326 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2.690 20 5 DFBDLO C[C@H](c1cccnc1)[NH+]1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000609631139 399327830 /nfs/dbraw/zinc/32/78/30/399327830.db2.gz NZHBKOGXKRPMJL-GFCCVEGCSA-N 1 2 318.402 2.935 20 5 DFBDLO COC[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000284591157 218092521 /nfs/dbraw/zinc/09/25/21/218092521.db2.gz QEIASGFRQXYSGZ-VFADXPBXSA-N 1 2 320.389 2.734 20 5 DFBDLO COC[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000284591157 218092522 /nfs/dbraw/zinc/09/25/22/218092522.db2.gz QEIASGFRQXYSGZ-VFADXPBXSA-N 1 2 320.389 2.734 20 5 DFBDLO Cn1cc[nH+]c1CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000051923484 425883891 /nfs/dbraw/zinc/88/38/91/425883891.db2.gz ULOSNLSHARXTNZ-UHFFFAOYSA-N 1 2 300.240 2.959 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOc2ccccc2C1 ZINC000619531124 399358551 /nfs/dbraw/zinc/35/85/51/399358551.db2.gz JQEAXVKLLCQMNW-UHFFFAOYSA-N 1 2 314.341 2.998 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOc2ccccc2C1 ZINC000619531124 399358552 /nfs/dbraw/zinc/35/85/52/399358552.db2.gz JQEAXVKLLCQMNW-UHFFFAOYSA-N 1 2 314.341 2.998 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000619532000 399358961 /nfs/dbraw/zinc/35/89/61/399358961.db2.gz QMOIYKPXSSXEKO-LBPRGKRZSA-N 1 2 316.304 2.807 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000619532000 399358966 /nfs/dbraw/zinc/35/89/66/399358966.db2.gz QMOIYKPXSSXEKO-LBPRGKRZSA-N 1 2 316.304 2.807 20 5 DFBDLO CCCC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000610476214 399370892 /nfs/dbraw/zinc/37/08/92/399370892.db2.gz BCBVYOJCAFHLMI-UHFFFAOYSA-N 1 2 323.368 2.615 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000601978124 399372697 /nfs/dbraw/zinc/37/26/97/399372697.db2.gz XOEYNZIGHFUDMC-LBPRGKRZSA-N 1 2 304.268 2.590 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000601978124 399372699 /nfs/dbraw/zinc/37/26/99/399372699.db2.gz XOEYNZIGHFUDMC-LBPRGKRZSA-N 1 2 304.268 2.590 20 5 DFBDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581277 399383046 /nfs/dbraw/zinc/38/30/46/399383046.db2.gz XMXWMMCCKNNMML-GHMZBOCLSA-N 1 2 305.334 2.735 20 5 DFBDLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581277 399383048 /nfs/dbraw/zinc/38/30/48/399383048.db2.gz XMXWMMCCKNNMML-GHMZBOCLSA-N 1 2 305.334 2.735 20 5 DFBDLO CC[C@@]1(CO)CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285290282 218368142 /nfs/dbraw/zinc/36/81/42/218368142.db2.gz LCWRNUQLNDYYNR-OAHLLOKOSA-N 1 2 314.332 2.858 20 5 DFBDLO CC[C@@]1(CO)CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285290282 218368144 /nfs/dbraw/zinc/36/81/44/218368144.db2.gz LCWRNUQLNDYYNR-OAHLLOKOSA-N 1 2 314.332 2.858 20 5 DFBDLO CCc1nnc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000619785259 399391748 /nfs/dbraw/zinc/39/17/48/399391748.db2.gz VTUIIIGBORZLHX-UHFFFAOYSA-N 1 2 306.391 2.683 20 5 DFBDLO CCc1nnc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000619785259 399391750 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CC[N@@H+](CCOC)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602439581 399444297 /nfs/dbraw/zinc/44/42/97/399444297.db2.gz FNKQBVDOGOPNMO-UHFFFAOYSA-N 1 2 323.212 2.887 20 5 DFBDLO C[N@H+](Cc1cn[nH]c1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611171706 399441534 /nfs/dbraw/zinc/44/15/34/399441534.db2.gz OFYNFCSVHUJNAL-UHFFFAOYSA-N 1 2 313.317 2.605 20 5 DFBDLO C[N@@H+](Cc1cn[nH]c1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611171706 399441536 /nfs/dbraw/zinc/44/15/36/399441536.db2.gz OFYNFCSVHUJNAL-UHFFFAOYSA-N 1 2 313.317 2.605 20 5 DFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C(F)F)C1 ZINC000611179513 399442161 /nfs/dbraw/zinc/44/21/61/399442161.db2.gz DIYFKKGZTFAZHH-ZJUUUORDSA-N 1 2 313.304 2.509 20 5 DFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](C(F)F)C1 ZINC000611179513 399442162 /nfs/dbraw/zinc/44/21/62/399442162.db2.gz DIYFKKGZTFAZHH-ZJUUUORDSA-N 1 2 313.304 2.509 20 5 DFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000602469189 399451875 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DFBDLO CN(C)c1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000611191223 399444660 /nfs/dbraw/zinc/44/46/60/399444660.db2.gz RHJSSZDKANOFAU-UHFFFAOYSA-N 1 2 300.362 2.688 20 5 DFBDLO CC[N@H+](Cc1ccoc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611267983 399454879 /nfs/dbraw/zinc/45/48/79/399454879.db2.gz VJLJNTWHGRTZJO-UHFFFAOYSA-N 1 2 318.329 2.981 20 5 DFBDLO CC[N@@H+](Cc1ccoc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611267983 399454881 /nfs/dbraw/zinc/45/48/81/399454881.db2.gz VJLJNTWHGRTZJO-UHFFFAOYSA-N 1 2 318.329 2.981 20 5 DFBDLO CCC[C@@H]([NH2+]Cc1nnnn1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000611336507 399462956 /nfs/dbraw/zinc/46/29/56/399462956.db2.gz MDZLRSMSXGMTAN-CQSZACIVSA-N 1 2 316.365 2.547 20 5 DFBDLO C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1F ZINC000611502553 399483918 /nfs/dbraw/zinc/48/39/18/399483918.db2.gz VGGKRWHYRSUAGC-HZMBPMFUSA-N 1 2 310.325 2.641 20 5 DFBDLO C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1F ZINC000611502553 399483920 /nfs/dbraw/zinc/48/39/20/399483920.db2.gz VGGKRWHYRSUAGC-HZMBPMFUSA-N 1 2 310.325 2.641 20 5 DFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611502882 399483950 /nfs/dbraw/zinc/48/39/50/399483950.db2.gz ZZSHCEHOPUXYON-JTNHKYCSSA-N 1 2 309.341 2.602 20 5 DFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611502882 399483952 /nfs/dbraw/zinc/48/39/52/399483952.db2.gz ZZSHCEHOPUXYON-JTNHKYCSSA-N 1 2 309.341 2.602 20 5 DFBDLO COc1ccc(OCc2cc(OC)cc(C)[nH+]2)c([N+](=O)[O-])c1 ZINC000270132934 208193027 /nfs/dbraw/zinc/19/30/27/208193027.db2.gz NBYLGBAPZUKSEP-UHFFFAOYSA-N 1 2 304.302 2.894 20 5 DFBDLO O=[N+]([O-])c1ccc(N2CCC(c3c[nH]c[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000365886864 285121679 /nfs/dbraw/zinc/12/16/79/285121679.db2.gz WMMWYOZKJHEVMW-UHFFFAOYSA-N 1 2 317.305 2.610 20 5 DFBDLO O=[N+]([O-])c1ccc(N2CCC(c3c[nH+]c[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000365886864 285121680 /nfs/dbraw/zinc/12/16/80/285121680.db2.gz WMMWYOZKJHEVMW-UHFFFAOYSA-N 1 2 317.305 2.610 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000158413476 197269869 /nfs/dbraw/zinc/26/98/69/197269869.db2.gz ZPCYBEMMWRBVEJ-UHFFFAOYSA-N 1 2 306.362 2.748 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC2(CCCC2)C1 ZINC000158413476 197269871 /nfs/dbraw/zinc/26/98/71/197269871.db2.gz ZPCYBEMMWRBVEJ-UHFFFAOYSA-N 1 2 306.362 2.748 20 5 DFBDLO CCc1nnc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)[nH]1 ZINC000157784457 197215331 /nfs/dbraw/zinc/21/53/31/197215331.db2.gz GBRDRLSNIHDTQR-UHFFFAOYSA-N 1 2 303.366 2.686 20 5 DFBDLO CCc1nnc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)[nH]1 ZINC000157784457 197215333 /nfs/dbraw/zinc/21/53/33/197215333.db2.gz GBRDRLSNIHDTQR-UHFFFAOYSA-N 1 2 303.366 2.686 20 5 DFBDLO O=C(Cc1cn2ccccc2[nH+]1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000348007985 285295454 /nfs/dbraw/zinc/29/54/54/285295454.db2.gz LOAFDGKGYWPWSR-UHFFFAOYSA-N 1 2 314.276 2.563 20 5 DFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000602901906 399620916 /nfs/dbraw/zinc/62/09/16/399620916.db2.gz KHAHVLPNCHVRMM-OAHLLOKOSA-N 1 2 315.377 2.578 20 5 DFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000602901906 399620923 /nfs/dbraw/zinc/62/09/23/399620923.db2.gz KHAHVLPNCHVRMM-OAHLLOKOSA-N 1 2 315.377 2.578 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC[C@@H]1CC(F)F ZINC000289514870 221032886 /nfs/dbraw/zinc/03/28/86/221032886.db2.gz GXBIXIIYZMVBOP-ZDUSSCGKSA-N 1 2 300.305 2.759 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC[C@@H]1CC(F)F ZINC000289514870 221032888 /nfs/dbraw/zinc/03/28/88/221032888.db2.gz GXBIXIIYZMVBOP-ZDUSSCGKSA-N 1 2 300.305 2.759 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(CCF)CC1 ZINC000602948791 399636624 /nfs/dbraw/zinc/63/66/24/399636624.db2.gz FGNUVUPHKMGEHQ-UHFFFAOYSA-N 1 2 323.368 2.913 20 5 DFBDLO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)C(F)F ZINC000603428289 399774419 /nfs/dbraw/zinc/77/44/19/399774419.db2.gz GPGBDDCRNSXBID-IUCAKERBSA-N 1 2 301.293 2.555 20 5 DFBDLO Cc1cnc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000348399818 285525670 /nfs/dbraw/zinc/52/56/70/285525670.db2.gz DLYLJJNXAYFXBT-MNOVXSKESA-N 1 2 318.333 2.569 20 5 DFBDLO COC[C@@H](C)Nc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301294678 543045741 /nfs/dbraw/zinc/04/57/41/543045741.db2.gz XUKURLPSTKPSRP-LLVKDONJSA-N 1 2 302.334 2.807 20 5 DFBDLO C[N@H+](CC(=O)NCCC(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000052589703 425885301 /nfs/dbraw/zinc/88/53/01/425885301.db2.gz QWUBNVNFFVBCFJ-UHFFFAOYSA-N 1 2 307.394 2.579 20 5 DFBDLO C[N@@H+](CC(=O)NCCC(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000052589703 425885302 /nfs/dbraw/zinc/88/53/02/425885302.db2.gz QWUBNVNFFVBCFJ-UHFFFAOYSA-N 1 2 307.394 2.579 20 5 DFBDLO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1nnc2n1CCCC2 ZINC000173452698 145344250 /nfs/dbraw/zinc/34/42/50/145344250.db2.gz FVIHBAKQGOWRJU-VXGBXAGGSA-N 1 2 315.377 2.934 20 5 DFBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccccc3F)nc2c1 ZINC000354453288 147044280 /nfs/dbraw/zinc/04/42/80/147044280.db2.gz VBZRLUOFMHCYMD-UHFFFAOYSA-N 1 2 300.293 2.900 20 5 DFBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2ncnn2-c2ccccc2)cs1 ZINC000355222276 147228726 /nfs/dbraw/zinc/22/87/26/147228726.db2.gz PJGVYVOCCPUIQF-UHFFFAOYSA-N 1 2 315.358 2.527 20 5 DFBDLO O=[N+]([O-])c1ccc(N2CCc3c([nH+]cn3-c3ccccc3)C2)nc1 ZINC000349894649 285966270 /nfs/dbraw/zinc/96/62/70/285966270.db2.gz ONNFWMNBJPNVRD-UHFFFAOYSA-N 1 2 321.340 2.738 20 5 DFBDLO C[C@H](c1c(F)cccc1F)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000358279693 148316925 /nfs/dbraw/zinc/31/69/25/148316925.db2.gz XLTUJOKVTSSTFB-SNVBAGLBSA-N 1 2 310.304 2.763 20 5 DFBDLO C[C@H](c1c(F)cccc1F)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000358279693 148316928 /nfs/dbraw/zinc/31/69/28/148316928.db2.gz XLTUJOKVTSSTFB-SNVBAGLBSA-N 1 2 310.304 2.763 20 5 DFBDLO COc1cc(NCCNc2cccc[nH+]2)c(F)cc1[N+](=O)[O-] ZINC000351475098 286129445 /nfs/dbraw/zinc/12/94/45/286129445.db2.gz BOBFRFMXXSASPE-UHFFFAOYSA-N 1 2 306.297 2.662 20 5 DFBDLO Cc1c(CC(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC000371559578 150065303 /nfs/dbraw/zinc/06/53/03/150065303.db2.gz JONCNEAJDPKAFD-AWEZNQCLSA-N 1 2 314.345 2.533 20 5 DFBDLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000374368521 150354625 /nfs/dbraw/zinc/35/46/25/150354625.db2.gz VIOAJTQTWPBLSS-LBPRGKRZSA-N 1 2 317.370 2.573 20 5 DFBDLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000374368521 150354629 /nfs/dbraw/zinc/35/46/29/150354629.db2.gz VIOAJTQTWPBLSS-LBPRGKRZSA-N 1 2 317.370 2.573 20 5 DFBDLO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H](CO)c3ccsc3)nc2c1 ZINC000352033164 286275074 /nfs/dbraw/zinc/27/50/74/286275074.db2.gz QYTSVXAOPQEPGX-GFCCVEGCSA-N 1 2 319.342 2.621 20 5 DFBDLO Cc1ccc(C(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)cc1[N+](=O)[O-] ZINC000352140205 286302533 /nfs/dbraw/zinc/30/25/33/286302533.db2.gz JRJYBKUSYHOKIK-CYBMUJFWSA-N 1 2 302.334 2.753 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC2(CC2)C1 ZINC000352278794 286335021 /nfs/dbraw/zinc/33/50/21/286335021.db2.gz FXJMXGNYXTZIDP-UHFFFAOYSA-N 1 2 303.362 2.718 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC2(CC2)C1 ZINC000352278794 286335023 /nfs/dbraw/zinc/33/50/23/286335023.db2.gz FXJMXGNYXTZIDP-UHFFFAOYSA-N 1 2 303.362 2.718 20 5 DFBDLO Cc1noc([C@H]2CC[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)n1 ZINC000352353489 286351114 /nfs/dbraw/zinc/35/11/14/286351114.db2.gz YCWYMWYCNOQWAH-VIFPVBQESA-N 1 2 324.287 2.554 20 5 DFBDLO Cc1noc([C@H]2CC[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)n1 ZINC000352353489 286351116 /nfs/dbraw/zinc/35/11/16/286351116.db2.gz YCWYMWYCNOQWAH-VIFPVBQESA-N 1 2 324.287 2.554 20 5 DFBDLO CC[C@@H](C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000248105320 158159823 /nfs/dbraw/zinc/15/98/23/158159823.db2.gz IKVJZRPVPDROTA-LLVKDONJSA-N 1 2 302.334 2.651 20 5 DFBDLO Cc1cnc([C@@H](C)[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000356988456 158340171 /nfs/dbraw/zinc/34/01/71/158340171.db2.gz QURBAEBRUPLJBI-VXGBXAGGSA-N 1 2 317.349 2.534 20 5 DFBDLO Cc1cnc([C@@H](C)[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000356988456 158340174 /nfs/dbraw/zinc/34/01/74/158340174.db2.gz QURBAEBRUPLJBI-VXGBXAGGSA-N 1 2 317.349 2.534 20 5 DFBDLO COc1cc[nH+]cc1CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000432460902 296879646 /nfs/dbraw/zinc/87/96/46/296879646.db2.gz NZKHZYGOAMCWFK-UHFFFAOYSA-N 1 2 316.317 2.629 20 5 DFBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3c(Cl)cc(F)cc3C2)n1 ZINC000295836893 225295042 /nfs/dbraw/zinc/29/50/42/225295042.db2.gz ZGGVWWGIIDPMOC-UHFFFAOYSA-N 1 2 324.743 2.642 20 5 DFBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3c(Cl)cc(F)cc3C2)n1 ZINC000295836893 225295046 /nfs/dbraw/zinc/29/50/46/225295046.db2.gz ZGGVWWGIIDPMOC-UHFFFAOYSA-N 1 2 324.743 2.642 20 5 DFBDLO C[C@@H](c1ccco1)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000069067714 425928075 /nfs/dbraw/zinc/92/80/75/425928075.db2.gz OLMQMARGCVKARS-LBPRGKRZSA-N 1 2 317.345 2.844 20 5 DFBDLO C[C@@H](c1ccco1)[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000069067714 425928078 /nfs/dbraw/zinc/92/80/78/425928078.db2.gz OLMQMARGCVKARS-LBPRGKRZSA-N 1 2 317.345 2.844 20 5 DFBDLO C[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032485110 425838962 /nfs/dbraw/zinc/83/89/62/425838962.db2.gz YIFQWRLOSOYJCG-GFCCVEGCSA-N 1 2 314.345 2.795 20 5 DFBDLO Cn1c2cc(F)ccc2[nH+]c1CCNc1ncc([N+](=O)[O-])s1 ZINC000192459500 268037950 /nfs/dbraw/zinc/03/79/50/268037950.db2.gz KJDTWFUVVWMVGQ-UHFFFAOYSA-N 1 2 321.337 2.732 20 5 DFBDLO O=[N+]([O-])c1cnc(NCCc2[nH]c3ccc(F)cc3[nH+]2)s1 ZINC000192477042 268038161 /nfs/dbraw/zinc/03/81/61/268038161.db2.gz GCPLQSOOSJNSTN-UHFFFAOYSA-N 1 2 307.310 2.721 20 5 DFBDLO CN(Cc1[nH+]ccn1C)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000270963651 268241868 /nfs/dbraw/zinc/24/18/68/268241868.db2.gz RKOBWXNZMLVAEZ-UHFFFAOYSA-N 1 2 312.276 2.566 20 5 DFBDLO Cc1nc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cs1 ZINC000048618120 425876371 /nfs/dbraw/zinc/87/63/71/425876371.db2.gz OYZWDPSISMVZBZ-UHFFFAOYSA-N 1 2 318.402 2.682 20 5 DFBDLO Cn1ncc(Cl)c1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000289541674 268280709 /nfs/dbraw/zinc/28/07/09/268280709.db2.gz QNVBFACALGVFDW-UHFFFAOYSA-N 1 2 308.769 2.656 20 5 DFBDLO Cn1ncc(Cl)c1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000289541674 268280710 /nfs/dbraw/zinc/28/07/10/268280710.db2.gz QNVBFACALGVFDW-UHFFFAOYSA-N 1 2 308.769 2.656 20 5 DFBDLO C[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000125846461 425992353 /nfs/dbraw/zinc/99/23/53/425992353.db2.gz TWUCVPDTUUGEGM-DOMZBBRYSA-N 1 2 314.345 2.515 20 5 DFBDLO CC1(C)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000072827551 426020415 /nfs/dbraw/zinc/02/04/15/426020415.db2.gz OVAHUUYUUNMGDW-UHFFFAOYSA-N 1 2 311.769 2.919 20 5 DFBDLO CC1(C)CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000072827551 426020416 /nfs/dbraw/zinc/02/04/16/426020416.db2.gz OVAHUUYUUNMGDW-UHFFFAOYSA-N 1 2 311.769 2.919 20 5 DFBDLO COCCC[N@H+](CCOC)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000163412869 426099372 /nfs/dbraw/zinc/09/93/72/426099372.db2.gz DJDGBHNZQGNZBW-UHFFFAOYSA-N 1 2 316.785 2.733 20 5 DFBDLO COCCC[N@@H+](CCOC)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000163412869 426099374 /nfs/dbraw/zinc/09/93/74/426099374.db2.gz DJDGBHNZQGNZBW-UHFFFAOYSA-N 1 2 316.785 2.733 20 5 DFBDLO CC(C)(C)c1ccc(C(=O)NCc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000114337712 426132693 /nfs/dbraw/zinc/13/26/93/426132693.db2.gz FPZQTHQPAHEWGT-UHFFFAOYSA-N 1 2 302.334 2.545 20 5 DFBDLO CCO[C@H](C)c1noc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000173449547 426240184 /nfs/dbraw/zinc/24/01/84/426240184.db2.gz MBEXUVUPOKZGSF-GHMZBOCLSA-N 1 2 320.349 2.926 20 5 DFBDLO C[C@H]1OCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1C ZINC000089909976 426318241 /nfs/dbraw/zinc/31/82/41/426318241.db2.gz OCDFXCLBGAUMJW-NWDGAFQWSA-N 1 2 317.345 2.859 20 5 DFBDLO C[C@H]1OCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1C ZINC000089909976 426318243 /nfs/dbraw/zinc/31/82/43/426318243.db2.gz OCDFXCLBGAUMJW-NWDGAFQWSA-N 1 2 317.345 2.859 20 5 DFBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3ccc(Cl)cc3C2)c1 ZINC000090615192 426328593 /nfs/dbraw/zinc/32/85/93/426328593.db2.gz DDAUWWHJEIMVEG-UHFFFAOYSA-N 1 2 306.753 2.503 20 5 DFBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCc3ccc(Cl)cc3C2)c1 ZINC000090615192 426328595 /nfs/dbraw/zinc/32/85/95/426328595.db2.gz DDAUWWHJEIMVEG-UHFFFAOYSA-N 1 2 306.753 2.503 20 5 DFBDLO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000123830945 426455062 /nfs/dbraw/zinc/45/50/62/426455062.db2.gz MVAHHXMASABACW-LBPRGKRZSA-N 1 2 323.393 2.541 20 5 DFBDLO CCOC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000177298421 426465786 /nfs/dbraw/zinc/46/57/86/426465786.db2.gz RSIGOQZAYHVBTG-UHFFFAOYSA-N 1 2 306.362 2.903 20 5 DFBDLO CCOC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000177298421 426465789 /nfs/dbraw/zinc/46/57/89/426465789.db2.gz RSIGOQZAYHVBTG-UHFFFAOYSA-N 1 2 306.362 2.903 20 5 DFBDLO O=C(NCCCCNc1cccc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000264169922 426509102 /nfs/dbraw/zinc/50/91/02/426509102.db2.gz LMDJZMMXOWUNKM-UHFFFAOYSA-N 1 2 314.345 2.612 20 5 DFBDLO CCn1c(C)nc([N+](=O)[O-])c1NCc1cn2cccc(C)c2[nH+]1 ZINC000288876283 426545656 /nfs/dbraw/zinc/54/56/56/426545656.db2.gz MELMHIPACFHOJC-UHFFFAOYSA-N 1 2 314.349 2.688 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(NC2CCN(c3cccc[nH+]3)CC2)n1 ZINC000178172323 426581154 /nfs/dbraw/zinc/58/11/54/426581154.db2.gz VQMBVMZBNFGDSF-UHFFFAOYSA-N 1 2 313.361 2.774 20 5 DFBDLO Cc1cnc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000265426310 426634395 /nfs/dbraw/zinc/63/43/95/426634395.db2.gz LHAYUQZTOVYILI-UHFFFAOYSA-N 1 2 318.402 2.682 20 5 DFBDLO CCn1nc(C)c([N+](=O)[O-])c1NCc1cn2ccc(C)cc2[nH+]1 ZINC000280717864 426640204 /nfs/dbraw/zinc/64/02/04/426640204.db2.gz LUUZYCIWMGAXHX-UHFFFAOYSA-N 1 2 314.349 2.688 20 5 DFBDLO Cc1noc([C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2C)n1 ZINC000289938684 426677589 /nfs/dbraw/zinc/67/75/89/426677589.db2.gz XAVBEYSFWBEZLZ-AWEZNQCLSA-N 1 2 302.334 2.932 20 5 DFBDLO Cc1noc([C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2C)n1 ZINC000289938684 426677593 /nfs/dbraw/zinc/67/75/93/426677593.db2.gz XAVBEYSFWBEZLZ-AWEZNQCLSA-N 1 2 302.334 2.932 20 5 DFBDLO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1c(F)cccc1Cl ZINC000267055103 426818452 /nfs/dbraw/zinc/81/84/52/426818452.db2.gz HKRRRDYNBBTGDT-UHFFFAOYSA-N 1 2 312.732 2.716 20 5 DFBDLO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1c(F)cccc1Cl ZINC000267055103 426818456 /nfs/dbraw/zinc/81/84/56/426818456.db2.gz HKRRRDYNBBTGDT-UHFFFAOYSA-N 1 2 312.732 2.716 20 5 DFBDLO Cc1cc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000179825517 426820275 /nfs/dbraw/zinc/82/02/75/426820275.db2.gz XLAFPQJDJJMAQY-UHFFFAOYSA-N 1 2 300.318 2.962 20 5 DFBDLO CCOC(=O)[C@@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000180762896 426885736 /nfs/dbraw/zinc/88/57/36/426885736.db2.gz ODSFXKLQNGMFAK-PXTSUWAFSA-N 1 2 304.346 2.636 20 5 DFBDLO CCOC(=O)[C@@H]1CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000180762896 426885744 /nfs/dbraw/zinc/88/57/44/426885744.db2.gz ODSFXKLQNGMFAK-PXTSUWAFSA-N 1 2 304.346 2.636 20 5 DFBDLO COC(=O)[C@@H](C)[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCC1 ZINC000282388419 426899649 /nfs/dbraw/zinc/89/96/49/426899649.db2.gz DHVJQSQOIHHBGY-SNVBAGLBSA-N 1 2 310.325 2.650 20 5 DFBDLO COC(=O)[C@@H](C)[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCC1 ZINC000282388419 426899654 /nfs/dbraw/zinc/89/96/54/426899654.db2.gz DHVJQSQOIHHBGY-SNVBAGLBSA-N 1 2 310.325 2.650 20 5 DFBDLO C[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000248344173 426990962 /nfs/dbraw/zinc/99/09/62/426990962.db2.gz LGFFHACETGFWMS-ZJUUUORDSA-N 1 2 311.769 2.917 20 5 DFBDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000248344173 426990964 /nfs/dbraw/zinc/99/09/64/426990964.db2.gz LGFFHACETGFWMS-ZJUUUORDSA-N 1 2 311.769 2.917 20 5 DFBDLO O=C(CC[N@H+](CC(F)F)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000283473318 427020706 /nfs/dbraw/zinc/02/07/06/427020706.db2.gz ZPGAMTIWGVHMJZ-UHFFFAOYSA-N 1 2 313.304 2.653 20 5 DFBDLO O=C(CC[N@@H+](CC(F)F)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000283473318 427020712 /nfs/dbraw/zinc/02/07/12/427020712.db2.gz ZPGAMTIWGVHMJZ-UHFFFAOYSA-N 1 2 313.304 2.653 20 5 DFBDLO CCn1cc([C@H](C)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)cn1 ZINC000296021555 427049016 /nfs/dbraw/zinc/04/90/16/427049016.db2.gz LXCFZTOTUVSAMO-VIFPVBQESA-N 1 2 310.304 2.940 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000338006892 427089419 /nfs/dbraw/zinc/08/94/19/427089419.db2.gz YJASGIZWFXVVES-UHFFFAOYSA-N 1 2 324.340 2.523 20 5 DFBDLO COc1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)nn1 ZINC000283084141 271335531 /nfs/dbraw/zinc/33/55/31/271335531.db2.gz KWDPSAWUHJTSAC-UHFFFAOYSA-N 1 2 314.345 2.558 20 5 DFBDLO COc1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)nn1 ZINC000283084141 271335533 /nfs/dbraw/zinc/33/55/33/271335533.db2.gz KWDPSAWUHJTSAC-UHFFFAOYSA-N 1 2 314.345 2.558 20 5 DFBDLO CCn1cc[nH+]c1CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000297138276 271356424 /nfs/dbraw/zinc/35/64/24/271356424.db2.gz JLXOWEJTFOQALM-UHFFFAOYSA-N 1 2 317.349 2.750 20 5 DFBDLO COc1cc[nH+]cc1NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000190802287 427180784 /nfs/dbraw/zinc/18/07/84/427180784.db2.gz RJVFXZMIORVVJL-UHFFFAOYSA-N 1 2 317.301 2.568 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(N2CCN(c3cccc[nH+]3)CC2)c(F)c1 ZINC000269621073 427232785 /nfs/dbraw/zinc/23/27/85/427232785.db2.gz IDYADENPHPOGSZ-UHFFFAOYSA-N 1 2 320.299 2.595 20 5 DFBDLO C[C@H]1CCC[C@@H](CO)[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285479064 427242820 /nfs/dbraw/zinc/24/28/20/427242820.db2.gz CMOWTDTZZAGFSZ-UWVGGRQHSA-N 1 2 300.305 2.608 20 5 DFBDLO C[C@H]1CCC[C@@H](CO)[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285479064 427242827 /nfs/dbraw/zinc/24/28/27/427242827.db2.gz CMOWTDTZZAGFSZ-UWVGGRQHSA-N 1 2 300.305 2.608 20 5 DFBDLO Cc1ccc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000270395378 427343421 /nfs/dbraw/zinc/34/34/21/427343421.db2.gz BQMXPFVLPWSLKA-UHFFFAOYSA-N 1 2 314.345 2.971 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000271209723 427451926 /nfs/dbraw/zinc/45/19/26/427451926.db2.gz CVZQRUPAWYHQBK-LBPRGKRZSA-N 1 2 316.361 2.535 20 5 DFBDLO CO[C@H](C)CCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000338720615 427454475 /nfs/dbraw/zinc/45/44/75/427454475.db2.gz LDAJJWYLUCMNPZ-GFCCVEGCSA-N 1 2 316.361 2.619 20 5 DFBDLO CCOC1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000293885754 427478196 /nfs/dbraw/zinc/47/81/96/427478196.db2.gz BQJQCLSFBHKMSV-UHFFFAOYSA-N 1 2 314.345 2.585 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@@H](C)[S@@]1=O ZINC000286147029 427437400 /nfs/dbraw/zinc/43/74/00/427437400.db2.gz VTIQSBIYCDOUHH-DAKYAEBGSA-N 1 2 310.419 2.635 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@@H](C)[S@@]1=O ZINC000286147029 427437404 /nfs/dbraw/zinc/43/74/04/427437404.db2.gz VTIQSBIYCDOUHH-DAKYAEBGSA-N 1 2 310.419 2.635 20 5 DFBDLO Cc1c(C[N@@H+]2CC[S@@](=O)C(C)(C)CC2)cccc1[N+](=O)[O-] ZINC000332227677 427553447 /nfs/dbraw/zinc/55/34/47/427553447.db2.gz MUXXUQWBZUIFMN-OAQYLSRUSA-N 1 2 310.419 2.636 20 5 DFBDLO Cc1c(C[N@H+]2CC[S@@](=O)C(C)(C)CC2)cccc1[N+](=O)[O-] ZINC000332227677 427553453 /nfs/dbraw/zinc/55/34/53/427553453.db2.gz MUXXUQWBZUIFMN-OAQYLSRUSA-N 1 2 310.419 2.636 20 5 DFBDLO CCc1cc(NCCCCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000192802496 427615314 /nfs/dbraw/zinc/61/53/14/427615314.db2.gz UVFBVMDWTORBST-UHFFFAOYSA-N 1 2 316.361 2.799 20 5 DFBDLO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000339009973 427621543 /nfs/dbraw/zinc/62/15/43/427621543.db2.gz HKCIJVFREIIHLT-HOCLYGCPSA-N 1 2 308.378 2.936 20 5 DFBDLO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000339009973 427621550 /nfs/dbraw/zinc/62/15/50/427621550.db2.gz HKCIJVFREIIHLT-HOCLYGCPSA-N 1 2 308.378 2.936 20 5 DFBDLO CCc1cc(N)nc(SCCOc2ccccc2[N+](=O)[O-])[nH+]1 ZINC000279110517 427562472 /nfs/dbraw/zinc/56/24/72/427562472.db2.gz RHWFCPYAGLKPRV-UHFFFAOYSA-N 1 2 320.374 2.701 20 5 DFBDLO Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000184994583 427574606 /nfs/dbraw/zinc/57/46/06/427574606.db2.gz SURODOHIBJIZSH-SNVBAGLBSA-N 1 2 320.374 2.649 20 5 DFBDLO COC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000339077891 427665805 /nfs/dbraw/zinc/66/58/05/427665805.db2.gz XGNGKBWHWKYGHY-HNNXBMFYSA-N 1 2 320.320 2.917 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000339046183 427645367 /nfs/dbraw/zinc/64/53/67/427645367.db2.gz GRNIYFCRHLAHRD-QWHCGFSZSA-N 1 2 306.362 2.549 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000339046183 427645373 /nfs/dbraw/zinc/64/53/73/427645373.db2.gz GRNIYFCRHLAHRD-QWHCGFSZSA-N 1 2 306.362 2.549 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCc2c(F)cccc2C1 ZINC000339055628 427651307 /nfs/dbraw/zinc/65/13/07/427651307.db2.gz RGRBBPGUFAUAHJ-UHFFFAOYSA-N 1 2 302.305 2.998 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCc2c(F)cccc2C1 ZINC000339055628 427651313 /nfs/dbraw/zinc/65/13/13/427651313.db2.gz RGRBBPGUFAUAHJ-UHFFFAOYSA-N 1 2 302.305 2.998 20 5 DFBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000339054309 427652148 /nfs/dbraw/zinc/65/21/48/427652148.db2.gz JSXFUOVGBVSPHI-IAQYHMDHSA-N 1 2 314.341 2.955 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000339092396 427672089 /nfs/dbraw/zinc/67/20/89/427672089.db2.gz SVKGGIDSEFDMIM-ZBFHGGJFSA-N 1 2 316.361 2.770 20 5 DFBDLO C[C@@H]1CN2CCCC[C@H]2C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000343937642 272240712 /nfs/dbraw/zinc/24/07/12/272240712.db2.gz STBDTBIAPOMHEM-ZBFHGGJFSA-N 1 2 319.405 2.532 20 5 DFBDLO C[C@@H]1CN2CCCC[C@H]2C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000343937642 272240713 /nfs/dbraw/zinc/24/07/13/272240713.db2.gz STBDTBIAPOMHEM-ZBFHGGJFSA-N 1 2 319.405 2.532 20 5 DFBDLO O=[N+]([O-])c1ccc(NCc2cc[nH+]c(N3CCCCC3)c2)nc1 ZINC000298715835 427683934 /nfs/dbraw/zinc/68/39/34/427683934.db2.gz MPLCILKZYBDASP-UHFFFAOYSA-N 1 2 313.361 2.987 20 5 DFBDLO CCN(CC)c1ccc(CNc2ccc([N+](=O)[O-])cn2)c[nH+]1 ZINC000298728913 427689923 /nfs/dbraw/zinc/68/99/23/427689923.db2.gz RDPVGEBRHAPYAV-UHFFFAOYSA-N 1 2 301.350 2.843 20 5 DFBDLO Cc1cc(NCC[C@H](C)O)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301286918 427786657 /nfs/dbraw/zinc/78/66/57/427786657.db2.gz LYRFKSJHCGNXQJ-NSHDSACASA-N 1 2 302.334 2.543 20 5 DFBDLO C[NH+](C)[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000186015152 427740811 /nfs/dbraw/zinc/74/08/11/427740811.db2.gz QSNYQWPTJJHMGU-OAHLLOKOSA-N 1 2 315.329 2.542 20 5 DFBDLO Cc1ccc(NCCCNc2cc(C)[nH+]cn2)c([N+](=O)[O-])c1 ZINC000301377992 427792383 /nfs/dbraw/zinc/79/23/83/427792383.db2.gz XFGDWTUHIZHMGI-UHFFFAOYSA-N 1 2 301.350 2.916 20 5 DFBDLO CN(C)c1ccc(CN(C)c2ccc(F)cc2[N+](=O)[O-])c[nH+]1 ZINC000301857395 427830561 /nfs/dbraw/zinc/83/05/61/427830561.db2.gz RSGCAJVIVHAPOU-UHFFFAOYSA-N 1 2 304.325 2.831 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H]1CCC[C@@H]1OC(F)F ZINC000337305384 427835413 /nfs/dbraw/zinc/83/54/13/427835413.db2.gz RFPDIUYLVRZSFT-JQWIXIFHSA-N 1 2 302.277 2.550 20 5 DFBDLO CC[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000340558178 427878818 /nfs/dbraw/zinc/87/88/18/427878818.db2.gz WBGVBSUHRYEUIM-ZDUSSCGKSA-N 1 2 314.345 2.795 20 5 DFBDLO CN(C[C@@H]1CCC[C@@H]1O)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413210572 427989698 /nfs/dbraw/zinc/98/96/98/427989698.db2.gz WGXFCGMKDSMKTH-WFASDCNBSA-N 1 2 301.346 2.740 20 5 DFBDLO CO[C@H]1COCC[C@H]1CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413313956 428019692 /nfs/dbraw/zinc/01/96/92/428019692.db2.gz MCJCFNASUNLUHQ-WFASDCNBSA-N 1 2 317.345 2.606 20 5 DFBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC(n2cc[nH+]c2)CC1 ZINC000377191216 428081657 /nfs/dbraw/zinc/08/16/57/428081657.db2.gz QOLBESGEUIGFRL-UHFFFAOYSA-N 1 2 314.345 2.835 20 5 DFBDLO C[C@H](NC(=O)[C@H]1CCCc2[nH+]c[nH]c21)c1cccc([N+](=O)[O-])c1 ZINC000346229609 428082354 /nfs/dbraw/zinc/08/23/54/428082354.db2.gz RUDRSUBPKGUQGU-GWCFXTLKSA-N 1 2 314.345 2.615 20 5 DFBDLO C[C@H](NC(=O)[C@H]1CCCc2[nH]c[nH+]c21)c1cccc([N+](=O)[O-])c1 ZINC000346229609 428082357 /nfs/dbraw/zinc/08/23/57/428082357.db2.gz RUDRSUBPKGUQGU-GWCFXTLKSA-N 1 2 314.345 2.615 20 5 DFBDLO Cc1cc(-c2noc(C[C@@H](C)n3cc[nH+]c3)n2)cc([N+](=O)[O-])c1 ZINC000351459859 428094177 /nfs/dbraw/zinc/09/41/77/428094177.db2.gz VGXVMAJQGBOLJB-LLVKDONJSA-N 1 2 313.317 2.953 20 5 DFBDLO CCc1ccc([C@@H]2CCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000370057407 428122849 /nfs/dbraw/zinc/12/28/49/428122849.db2.gz WYKNHIMHMDLUTC-LBPRGKRZSA-N 1 2 304.350 2.821 20 5 DFBDLO CCc1ccc([C@@H]2CCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000370057407 428122853 /nfs/dbraw/zinc/12/28/53/428122853.db2.gz WYKNHIMHMDLUTC-LBPRGKRZSA-N 1 2 304.350 2.821 20 5 DFBDLO Cc1[nH+]c2n(c1C)CCN([C@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000377489063 428139956 /nfs/dbraw/zinc/13/99/56/428139956.db2.gz NGHJCUIASKRIAA-CYBMUJFWSA-N 1 2 300.362 2.985 20 5 DFBDLO Cc1cccn2cc(CNC(=O)c3ccc([N+](=O)[O-])s3)[nH+]c12 ZINC000346391606 428153040 /nfs/dbraw/zinc/15/30/40/428153040.db2.gz DOWXDVPAYBBJRO-UHFFFAOYSA-N 1 2 316.342 2.542 20 5 DFBDLO Cc1cc(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)ccc1[N+](=O)[O-] ZINC000341721659 428168313 /nfs/dbraw/zinc/16/83/13/428168313.db2.gz TYZJNMZMIXRPGS-CQSZACIVSA-N 1 2 314.345 2.518 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)cs1 ZINC000352832811 428272661 /nfs/dbraw/zinc/27/26/61/428272661.db2.gz QADBLJNOKODZRZ-LLVKDONJSA-N 1 2 324.324 2.936 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)cs1 ZINC000352832811 428272667 /nfs/dbraw/zinc/27/26/67/428272667.db2.gz QADBLJNOKODZRZ-LLVKDONJSA-N 1 2 324.324 2.936 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1nnc(C2CC2)s1 ZINC000414549622 428337212 /nfs/dbraw/zinc/33/72/12/428337212.db2.gz BADCJMMEFHWWEL-UHFFFAOYSA-N 1 2 304.375 2.922 20 5 DFBDLO Cn1ccnc1[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000353032987 428364298 /nfs/dbraw/zinc/36/42/98/428364298.db2.gz IJPQWZCHSYSZEO-CQSZACIVSA-N 1 2 304.325 2.708 20 5 DFBDLO COc1cc[nH+]cc1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000342880167 428481084 /nfs/dbraw/zinc/48/10/84/428481084.db2.gz HCKHZOIZIQSFGE-UHFFFAOYSA-N 1 2 312.285 2.732 20 5 DFBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1[nH]c[nH+]c1C ZINC000360938234 428499693 /nfs/dbraw/zinc/49/96/93/428499693.db2.gz SAACRNJCSQWBNL-ZDUSSCGKSA-N 1 2 316.361 2.511 20 5 DFBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000343865596 428586153 /nfs/dbraw/zinc/58/61/53/428586153.db2.gz NWVLMGYAZYWILX-UHFFFAOYSA-N 1 2 315.264 2.500 20 5 DFBDLO Cc1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)c(C)[nH+]1 ZINC000358891184 428719215 /nfs/dbraw/zinc/71/92/15/428719215.db2.gz YKBIWHLPJMXSNZ-UHFFFAOYSA-N 1 2 311.139 2.614 20 5 DFBDLO C[C@H](c1ccccc1)[N@H+](CC(N)=O)Cc1cccc([N+](=O)[O-])c1 ZINC000353976818 428799351 /nfs/dbraw/zinc/79/93/51/428799351.db2.gz YROWBXBHWPGAMU-CYBMUJFWSA-N 1 2 313.357 2.643 20 5 DFBDLO C[C@H](c1ccccc1)[N@@H+](CC(N)=O)Cc1cccc([N+](=O)[O-])c1 ZINC000353976818 428799356 /nfs/dbraw/zinc/79/93/56/428799356.db2.gz YROWBXBHWPGAMU-CYBMUJFWSA-N 1 2 313.357 2.643 20 5 DFBDLO C[C@@H](c1ccccc1)[N@H+](CC(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC000353997563 428810636 /nfs/dbraw/zinc/81/06/36/428810636.db2.gz MTWKVENIAWHSTH-ZDUSSCGKSA-N 1 2 313.357 2.643 20 5 DFBDLO C[C@@H](c1ccccc1)[N@@H+](CC(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC000353997563 428810642 /nfs/dbraw/zinc/81/06/42/428810642.db2.gz MTWKVENIAWHSTH-ZDUSSCGKSA-N 1 2 313.357 2.643 20 5 DFBDLO COc1ccc(C[N@@H+]2CCO[C@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000411877709 428875492 /nfs/dbraw/zinc/87/54/92/428875492.db2.gz RQRINMUFAYZOKL-INIZCTEOSA-N 1 2 306.362 2.604 20 5 DFBDLO COc1ccc(C[N@H+]2CCO[C@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000411877709 428875495 /nfs/dbraw/zinc/87/54/95/428875495.db2.gz RQRINMUFAYZOKL-INIZCTEOSA-N 1 2 306.362 2.604 20 5 DFBDLO Cc1nnc([C@@H]2CC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)[nH]1 ZINC000412049963 428929257 /nfs/dbraw/zinc/92/92/57/428929257.db2.gz ZLRBKIVLGCKDET-SNVBAGLBSA-N 1 2 321.768 2.664 20 5 DFBDLO Cc1nnc([C@@H]2CC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)[nH]1 ZINC000412049963 428929262 /nfs/dbraw/zinc/92/92/62/428929262.db2.gz ZLRBKIVLGCKDET-SNVBAGLBSA-N 1 2 321.768 2.664 20 5 DFBDLO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)n1 ZINC000412049963 428929264 /nfs/dbraw/zinc/92/92/64/428929264.db2.gz ZLRBKIVLGCKDET-SNVBAGLBSA-N 1 2 321.768 2.664 20 5 DFBDLO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)n1 ZINC000412049963 428929266 /nfs/dbraw/zinc/92/92/66/428929266.db2.gz ZLRBKIVLGCKDET-SNVBAGLBSA-N 1 2 321.768 2.664 20 5 DFBDLO Cc1nc([C@@H]2CC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)n[nH]1 ZINC000412049963 428929267 /nfs/dbraw/zinc/92/92/67/428929267.db2.gz ZLRBKIVLGCKDET-SNVBAGLBSA-N 1 2 321.768 2.664 20 5 DFBDLO Cc1nc([C@@H]2CC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)n[nH]1 ZINC000412049963 428929270 /nfs/dbraw/zinc/92/92/70/428929270.db2.gz ZLRBKIVLGCKDET-SNVBAGLBSA-N 1 2 321.768 2.664 20 5 DFBDLO Cc1cc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)cc[nH+]1 ZINC000359362746 428937639 /nfs/dbraw/zinc/93/76/39/428937639.db2.gz QDPIGAYTXFBRBI-UHFFFAOYSA-N 1 2 323.255 2.574 20 5 DFBDLO Nc1ccc([N+](=O)[O-])c(N[C@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000375696027 428945746 /nfs/dbraw/zinc/94/57/46/428945746.db2.gz GKCZQYXZBLURFF-ZDUSSCGKSA-N 1 2 313.361 2.653 20 5 DFBDLO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H](O)Cc1ccccc1 ZINC000433071360 428989059 /nfs/dbraw/zinc/98/90/59/428989059.db2.gz JQIZTINUXMMVOH-CQSZACIVSA-N 1 2 318.348 2.769 20 5 DFBDLO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H](O)Cc1ccccc1 ZINC000433071360 428989064 /nfs/dbraw/zinc/98/90/64/428989064.db2.gz JQIZTINUXMMVOH-CQSZACIVSA-N 1 2 318.348 2.769 20 5 DFBDLO CN(C)c1ccc(CNc2ncc(Cl)cc2[N+](=O)[O-])c[nH+]1 ZINC000434958895 429117176 /nfs/dbraw/zinc/11/71/76/429117176.db2.gz PVQSKHITKWEMAN-UHFFFAOYSA-N 1 2 307.741 2.716 20 5 DFBDLO C[C@H](NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)c1ccc([N+](=O)[O-])cc1 ZINC000452570590 429128561 /nfs/dbraw/zinc/12/85/61/429128561.db2.gz COZDTAZCPSRNOG-GXFFZTMASA-N 1 2 314.345 2.615 20 5 DFBDLO C[C@H](NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21)c1ccc([N+](=O)[O-])cc1 ZINC000452570590 429128565 /nfs/dbraw/zinc/12/85/65/429128565.db2.gz COZDTAZCPSRNOG-GXFFZTMASA-N 1 2 314.345 2.615 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1CNc1cc(NC2CC2)[nH+]cn1 ZINC000413078109 429133438 /nfs/dbraw/zinc/13/34/38/429133438.db2.gz XHOMXVVEWRHSFB-UHFFFAOYSA-N 1 2 315.333 2.580 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1CNc1cc(NC2CC2)nc[nH+]1 ZINC000413078109 429133444 /nfs/dbraw/zinc/13/34/44/429133444.db2.gz XHOMXVVEWRHSFB-UHFFFAOYSA-N 1 2 315.333 2.580 20 5 DFBDLO CN(Cc1ccc(N)[nH+]c1)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000487758888 429167610 /nfs/dbraw/zinc/16/76/10/429167610.db2.gz CRQSCSWEUCRTAK-UHFFFAOYSA-N 1 2 309.329 2.757 20 5 DFBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)c1 ZINC000364335412 429184804 /nfs/dbraw/zinc/18/48/04/429184804.db2.gz ITJYFURRNQEBLC-GFCCVEGCSA-N 1 2 322.315 2.907 20 5 DFBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)c1 ZINC000364335412 429184810 /nfs/dbraw/zinc/18/48/10/429184810.db2.gz ITJYFURRNQEBLC-GFCCVEGCSA-N 1 2 322.315 2.907 20 5 DFBDLO C[C@H]1C[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456359843 429287576 /nfs/dbraw/zinc/28/75/76/429287576.db2.gz YIMWWKIPQYOLRP-GZMMTYOYSA-N 1 2 320.736 2.881 20 5 DFBDLO CCc1ccc(C(=O)N[C@@H](C)c2[nH+]ccn2CC)cc1[N+](=O)[O-] ZINC000456335536 429278747 /nfs/dbraw/zinc/27/87/47/429278747.db2.gz AEEYJXJSDOWEKF-NSHDSACASA-N 1 2 316.361 2.865 20 5 DFBDLO Cc1c(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)cccc1[N+](=O)[O-] ZINC000456386885 429293547 /nfs/dbraw/zinc/29/35/47/429293547.db2.gz OYQWDGMKOMATGM-BXKDBHETSA-N 1 2 300.318 2.536 20 5 DFBDLO C[C@@]12C[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000449448810 429420950 /nfs/dbraw/zinc/42/09/50/429420950.db2.gz JHGDJDQMESAYHU-GKKDWNQVSA-N 1 2 300.358 2.944 20 5 DFBDLO C[C@@]12C[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000449448810 429420955 /nfs/dbraw/zinc/42/09/55/429420955.db2.gz JHGDJDQMESAYHU-GKKDWNQVSA-N 1 2 300.358 2.944 20 5 DFBDLO Cc1cn2c([nH+]1)[C@@H](CNc1nccc(C)c1[N+](=O)[O-])CCC2 ZINC000366689997 429494126 /nfs/dbraw/zinc/49/41/26/429494126.db2.gz TVJSLECKQQWGQW-GFCCVEGCSA-N 1 2 301.350 2.793 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1CNc1ccc(-c2cncnc2)c[nH+]1 ZINC000366844954 429524112 /nfs/dbraw/zinc/52/41/12/429524112.db2.gz MFPLYCGMWLKJHQ-UHFFFAOYSA-N 1 2 321.340 3.367 20 5 DFBDLO CCOC(=O)C(CC)(CC)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000429283613 429594368 /nfs/dbraw/zinc/59/43/68/429594368.db2.gz HOMDJALNOJJUSG-UHFFFAOYSA-N 1 2 308.378 2.849 20 5 DFBDLO COCC[N@H+](Cc1ccco1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430193307 429662050 /nfs/dbraw/zinc/66/20/50/429662050.db2.gz DLEZTAWNOVVHGF-UHFFFAOYSA-N 1 2 320.345 2.845 20 5 DFBDLO COCC[N@@H+](Cc1ccco1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430193307 429662056 /nfs/dbraw/zinc/66/20/56/429662056.db2.gz DLEZTAWNOVVHGF-UHFFFAOYSA-N 1 2 320.345 2.845 20 5 DFBDLO O=C(/C=C/c1[nH]cc[nH+]1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000493072900 429683338 /nfs/dbraw/zinc/68/33/38/429683338.db2.gz RIXKYNQEXJPUDU-VOTSOKGWSA-N 1 2 312.329 2.522 20 5 DFBDLO C[C@H]1C[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)c2[nH+]ccn21 ZINC000450825180 429707458 /nfs/dbraw/zinc/70/74/58/429707458.db2.gz XWBKQLFJOMZTLZ-CBAPKCEASA-N 1 2 316.346 2.914 20 5 DFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493660200 429805609 /nfs/dbraw/zinc/80/56/09/429805609.db2.gz UHNPFEZJKSUKSH-KRZKBDHCSA-N 1 2 314.345 2.702 20 5 DFBDLO Cc1c[nH]c(C(C)(C)NC(=O)C=Cc2ccccc2[N+](=O)[O-])[nH+]1 ZINC000493384226 429751629 /nfs/dbraw/zinc/75/16/29/429751629.db2.gz ISZSASOOUFFDTK-HJWRWDBZSA-N 1 2 314.345 2.691 20 5 DFBDLO C[C@@]1(F)CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000451110624 429769503 /nfs/dbraw/zinc/76/95/03/429769503.db2.gz COVRYYMXGSARHZ-GOEBONIOSA-N 1 2 321.352 2.524 20 5 DFBDLO C[C@@]1(F)CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000451110624 429769504 /nfs/dbraw/zinc/76/95/04/429769504.db2.gz COVRYYMXGSARHZ-GOEBONIOSA-N 1 2 321.352 2.524 20 5 DFBDLO CC(C)OC(=O)[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C(C)C ZINC000451610905 429861342 /nfs/dbraw/zinc/86/13/42/429861342.db2.gz UMCMQWXAZQJPPT-HNNXBMFYSA-N 1 2 324.377 2.539 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1nnc(C(C)C)[nH]1 ZINC000580875595 430158592 /nfs/dbraw/zinc/15/85/92/430158592.db2.gz CPUSYSQWFNWYAW-LLVKDONJSA-N 1 2 303.366 2.996 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000581367711 430203075 /nfs/dbraw/zinc/20/30/75/430203075.db2.gz OKRNRDLIUHFBNR-INIZCTEOSA-N 1 2 314.341 2.954 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000581367711 430203078 /nfs/dbraw/zinc/20/30/78/430203078.db2.gz OKRNRDLIUHFBNR-INIZCTEOSA-N 1 2 314.341 2.954 20 5 DFBDLO CCc1nnc([C@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])[nH]1 ZINC000581499178 430216244 /nfs/dbraw/zinc/21/62/44/430216244.db2.gz WFIWZULOXODEFJ-CABZTGNLSA-N 1 2 301.350 2.613 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000371539294 277431831 /nfs/dbraw/zinc/43/18/31/277431831.db2.gz OOAHAYQPIWRUQC-CYBMUJFWSA-N 1 2 302.334 2.664 20 5 DFBDLO Cc1cccn2cc(COc3ccc([N+](=O)[O-])c(CO)c3)[nH+]c12 ZINC000555762269 430673502 /nfs/dbraw/zinc/67/35/02/430673502.db2.gz VDUCSAUUBXDERB-UHFFFAOYSA-N 1 2 313.313 2.622 20 5 DFBDLO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ncn(C)n1 ZINC000279086503 278269948 /nfs/dbraw/zinc/26/99/48/278269948.db2.gz NBMSLOXANSVDIU-IINYFYTJSA-N 1 2 315.377 2.797 20 5 DFBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089883103 288383552 /nfs/dbraw/zinc/38/35/52/288383552.db2.gz DYZRJPGJURUBNK-NEPJUHHUSA-N 1 2 317.345 2.859 20 5 DFBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089883103 288383558 /nfs/dbraw/zinc/38/35/58/288383558.db2.gz DYZRJPGJURUBNK-NEPJUHHUSA-N 1 2 317.345 2.859 20 5 DFBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1c1ncccc1[N+](=O)[O-] ZINC000281977891 288729447 /nfs/dbraw/zinc/72/94/47/288729447.db2.gz MFHGRMCSBRXYTH-LBPRGKRZSA-N 1 2 301.350 2.938 20 5 DFBDLO Cc1nn(Cc2c[nH+]cn2Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000437605265 297066195 /nfs/dbraw/zinc/06/61/95/297066195.db2.gz LFDJFELEOKTAOZ-UHFFFAOYSA-N 1 2 311.345 2.701 20 5 DFBDLO CC(C)c1ccc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000439426580 297126081 /nfs/dbraw/zinc/12/60/81/297126081.db2.gz WQLKWJWFXTUCHB-LBPRGKRZSA-N 1 2 316.361 2.733 20 5 DFBDLO COc1ccc(CNc2cc[nH+]c3ccncc23)cc1[N+](=O)[O-] ZINC000444113701 297230427 /nfs/dbraw/zinc/23/04/27/297230427.db2.gz TVHJIPPJFHVEJT-UHFFFAOYSA-N 1 2 310.313 2.581 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3ccco3)CC2)c1 ZINC000446887834 297289629 /nfs/dbraw/zinc/28/96/29/297289629.db2.gz ZBDLSKBCKZRGBV-UHFFFAOYSA-N 1 2 301.346 2.818 20 5 DFBDLO Cc1c(CN[C@@H](c2[nH]cc[nH+]2)c2ccccn2)cccc1[N+](=O)[O-] ZINC000447597783 297310365 /nfs/dbraw/zinc/31/03/65/297310365.db2.gz GWHCADXTYJTEOS-MRXNPFEDSA-N 1 2 323.356 2.901 20 5 DFBDLO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448559033 297343390 /nfs/dbraw/zinc/34/33/90/297343390.db2.gz RCPGVLWDTMVBNU-GFCCVEGCSA-N 1 2 314.345 2.653 20 5 DFBDLO CC1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCCC1 ZINC000448797741 297369486 /nfs/dbraw/zinc/36/94/86/297369486.db2.gz FWPUYMCFPQPMKC-UHFFFAOYSA-N 1 2 314.345 2.843 20 5 DFBDLO C[C@H](CC1CC1)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448963683 297384024 /nfs/dbraw/zinc/38/40/24/297384024.db2.gz BYGBOFCNUWGOFH-LLVKDONJSA-N 1 2 314.345 2.699 20 5 DFBDLO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1noc(C2CC2)n1 ZINC000449297676 297439244 /nfs/dbraw/zinc/43/92/44/297439244.db2.gz HFIFBMGXGDOWIB-HYXAFXHYSA-N 1 2 300.318 2.658 20 5 DFBDLO Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000456408634 298521201 /nfs/dbraw/zinc/52/12/01/298521201.db2.gz ZFMKKKKFIUMQSN-ZYHUDNBSSA-N 1 2 300.318 2.536 20 5 DFBDLO Cc1[nH]nc2ncc(C[N@@H+](C)Cc3ccccc3[N+](=O)[O-])cc12 ZINC000507145634 300233662 /nfs/dbraw/zinc/23/36/62/300233662.db2.gz SODPUVUPQZHRPI-UHFFFAOYSA-N 1 2 311.345 2.807 20 5 DFBDLO Cc1[nH]nc2ncc(C[N@H+](C)Cc3ccccc3[N+](=O)[O-])cc12 ZINC000507145634 300233664 /nfs/dbraw/zinc/23/36/64/300233664.db2.gz SODPUVUPQZHRPI-UHFFFAOYSA-N 1 2 311.345 2.807 20 5 DFBDLO C[C@H](CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC000516870618 300365676 /nfs/dbraw/zinc/36/56/76/300365676.db2.gz ISMWAVGHTKTARZ-NEPJUHHUSA-N 1 2 302.334 2.620 20 5 DFBDLO CCOc1ccc(NC(=O)C[NH+]2C3CCC2CC3)c([N+](=O)[O-])c1 ZINC000533237509 301192789 /nfs/dbraw/zinc/19/27/89/301192789.db2.gz IMYHWJPGKLWFJU-UHFFFAOYSA-N 1 2 319.361 2.559 20 5 DFBDLO Cc1cc(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)c[nH+]1 ZINC000534325515 301228751 /nfs/dbraw/zinc/22/87/51/301228751.db2.gz MNZLLRDDQKCVQJ-LBPRGKRZSA-N 1 2 314.345 2.911 20 5 DFBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccc(CO)o1)C1CC1 ZINC000535072242 301247567 /nfs/dbraw/zinc/24/75/67/301247567.db2.gz RRESFAHNKURBSX-UHFFFAOYSA-N 1 2 302.330 2.845 20 5 DFBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccc(CO)o1)C1CC1 ZINC000535072242 301247568 /nfs/dbraw/zinc/24/75/68/301247568.db2.gz RRESFAHNKURBSX-UHFFFAOYSA-N 1 2 302.330 2.845 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1cnn(CC)c1 ZINC000538728693 301329793 /nfs/dbraw/zinc/32/97/93/301329793.db2.gz RBRNWUMPECAIIK-UHFFFAOYSA-N 1 2 318.377 2.842 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1cnn(CC)c1 ZINC000538728693 301329795 /nfs/dbraw/zinc/32/97/95/301329795.db2.gz RBRNWUMPECAIIK-UHFFFAOYSA-N 1 2 318.377 2.842 20 5 DFBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1cnn3ccccc13)C2 ZINC000538726327 301330109 /nfs/dbraw/zinc/33/01/09/301330109.db2.gz LELROURORJHWGG-UHFFFAOYSA-N 1 2 308.341 2.801 20 5 DFBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1cnn3ccccc13)C2 ZINC000538726327 301330111 /nfs/dbraw/zinc/33/01/11/301330111.db2.gz LELROURORJHWGG-UHFFFAOYSA-N 1 2 308.341 2.801 20 5 DFBDLO Cn1cc[nH+]c1[C@H](NCC(C)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000550883020 301653745 /nfs/dbraw/zinc/65/37/45/301653745.db2.gz WIXCLLMBUYDWNK-GFCCVEGCSA-N 1 2 310.304 2.663 20 5 DFBDLO Cc1ccc(CCNc2c3ccccc3ncc2[N+](=O)[O-])c[nH+]1 ZINC000562350127 301963920 /nfs/dbraw/zinc/96/39/20/301963920.db2.gz JVZKSFAYPFPDRM-UHFFFAOYSA-N 1 2 308.341 2.923 20 5 DFBDLO CC(C)(NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000562680210 301988845 /nfs/dbraw/zinc/98/88/45/301988845.db2.gz NMZHJCVIWMGLDT-UHFFFAOYSA-N 1 2 314.345 2.699 20 5 DFBDLO C[C@@H](CC(=O)N1CCCc2ccc([N+](=O)[O-])cc21)n1cc[nH+]c1 ZINC000564660532 302148733 /nfs/dbraw/zinc/14/87/33/302148733.db2.gz JXCNEJIDQPBXHI-LBPRGKRZSA-N 1 2 314.345 2.722 20 5 DFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000565628526 302233783 /nfs/dbraw/zinc/23/37/83/302233783.db2.gz ZWTUREXKJYFWCR-ZROIWOOFSA-N 1 2 317.389 2.551 20 5 DFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000565628526 302233785 /nfs/dbraw/zinc/23/37/85/302233785.db2.gz ZWTUREXKJYFWCR-ZROIWOOFSA-N 1 2 317.389 2.551 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000566185646 302266145 /nfs/dbraw/zinc/26/61/45/302266145.db2.gz MZBLVORYSWGWLU-HNNXBMFYSA-N 1 2 306.362 2.604 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000566185646 302266146 /nfs/dbraw/zinc/26/61/46/302266146.db2.gz MZBLVORYSWGWLU-HNNXBMFYSA-N 1 2 306.362 2.604 20 5 DFBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nnc(C3CC3)n2C)cc1[N+](=O)[O-] ZINC000181808871 316073782 /nfs/dbraw/zinc/07/37/82/316073782.db2.gz XSIYKUWVOGDBDE-LLVKDONJSA-N 1 2 315.377 2.760 20 5 DFBDLO CN(CCC1CC1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450189383 317066515 /nfs/dbraw/zinc/06/65/15/317066515.db2.gz WZGRLTVAXOITIS-UHFFFAOYSA-N 1 2 314.345 2.653 20 5 DFBDLO O=[N+]([O-])c1cc2c(nc1NCCCCn1cc[nH+]c1)CCCC2 ZINC000576748055 318147022 /nfs/dbraw/zinc/14/70/22/318147022.db2.gz JLCYCFOFPBARAP-UHFFFAOYSA-N 1 2 315.377 2.957 20 5 DFBDLO C[C@@H](O)[C@@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000578736891 318281254 /nfs/dbraw/zinc/28/12/54/318281254.db2.gz RBRGMDBLUHCIKZ-DGCLKSJQSA-N 1 2 301.346 2.740 20 5 DFBDLO CC(C)Cn1cc[nH+]c1CNc1cc(CO)ccc1[N+](=O)[O-] ZINC000302017081 528732030 /nfs/dbraw/zinc/73/20/30/528732030.db2.gz CQIUBQIENUVYDD-UHFFFAOYSA-N 1 2 304.350 2.552 20 5 DFBDLO CC(C)Cn1ncnc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295851087 528763484 /nfs/dbraw/zinc/76/34/84/528763484.db2.gz CAOGHBUTOFDAGE-LBPRGKRZSA-N 1 2 303.366 2.693 20 5 DFBDLO COC(=O)[C@H](C)[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CCC1 ZINC000361937404 536626337 /nfs/dbraw/zinc/62/63/37/536626337.db2.gz NZNAYHOKERKGCP-NSHDSACASA-N 1 2 322.361 2.519 20 5 DFBDLO COC(=O)[C@H](C)[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CCC1 ZINC000361937404 536626341 /nfs/dbraw/zinc/62/63/41/536626341.db2.gz NZNAYHOKERKGCP-NSHDSACASA-N 1 2 322.361 2.519 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cs1 ZINC000286551267 219049908 /nfs/dbraw/zinc/04/99/08/219049908.db2.gz OPDVTILQFRYAHO-ZJUUUORDSA-N 1 2 324.324 2.649 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cs1 ZINC000286551267 219049910 /nfs/dbraw/zinc/04/99/10/219049910.db2.gz OPDVTILQFRYAHO-ZJUUUORDSA-N 1 2 324.324 2.649 20 5 DFBDLO Cc1ccc(C2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])CC2)c[nH+]1 ZINC000596189540 398352145 /nfs/dbraw/zinc/35/21/45/398352145.db2.gz JXEQBDQVWYWJIZ-UHFFFAOYSA-N 1 2 314.345 2.783 20 5 DFBDLO Cc1ccc(C2CCN(c3ccc(N)c([N+](=O)[O-])n3)CC2)c[nH+]1 ZINC000596190547 398352431 /nfs/dbraw/zinc/35/24/31/398352431.db2.gz UBQSIZKDWJJQHW-UHFFFAOYSA-N 1 2 313.361 2.659 20 5 DFBDLO C[C@@H](Nc1ncc([N+](=O)[O-])cc1C(F)(F)F)c1[nH]cc[nH+]1 ZINC000596237502 398364649 /nfs/dbraw/zinc/36/46/49/398364649.db2.gz IAVKLOOSLRGVBG-ZCFIWIBFSA-N 1 2 301.228 2.905 20 5 DFBDLO CO[C@@H](CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC1 ZINC000596318938 398385536 /nfs/dbraw/zinc/38/55/36/398385536.db2.gz QZZPWDBYRZYAOH-DOMZBBRYSA-N 1 2 317.345 2.606 20 5 DFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000083445428 398387144 /nfs/dbraw/zinc/38/71/44/398387144.db2.gz ZLFJUVJTKADLBZ-NSHDSACASA-N 1 2 301.350 2.654 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@@H](CO)CC3)c2c1 ZINC000413295565 295695079 /nfs/dbraw/zinc/69/50/79/295695079.db2.gz JERBOIWNCSXWDB-GFCCVEGCSA-N 1 2 301.346 2.742 20 5 DFBDLO CO[C@@H]1COCC[C@@H]1CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413313952 295696680 /nfs/dbraw/zinc/69/66/80/295696680.db2.gz MCJCFNASUNLUHQ-IUODEOHRSA-N 1 2 317.345 2.606 20 5 DFBDLO Cc1cc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)no1 ZINC000015549217 398396566 /nfs/dbraw/zinc/39/65/66/398396566.db2.gz CTGPEIYWGMWCMH-NSHDSACASA-N 1 2 318.333 2.523 20 5 DFBDLO Cc1cc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)no1 ZINC000015549217 398396568 /nfs/dbraw/zinc/39/65/68/398396568.db2.gz CTGPEIYWGMWCMH-NSHDSACASA-N 1 2 318.333 2.523 20 5 DFBDLO CC(C)[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C1(CO)CC=CC1 ZINC000592177786 398397101 /nfs/dbraw/zinc/39/71/01/398397101.db2.gz QTVFLUYTWKNANJ-MRXNPFEDSA-N 1 2 320.389 2.743 20 5 DFBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCOCC1CCCC1)CC2 ZINC000459400550 299096931 /nfs/dbraw/zinc/09/69/31/299096931.db2.gz MPIRSWNCLGVGEE-UHFFFAOYSA-N 1 2 305.378 2.555 20 5 DFBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](CCOCC1CCCC1)CC2 ZINC000459400550 299096933 /nfs/dbraw/zinc/09/69/33/299096933.db2.gz MPIRSWNCLGVGEE-UHFFFAOYSA-N 1 2 305.378 2.555 20 5 DFBDLO CC[C@@H]([NH2+]Cc1nc([C@H](C)OC)no1)c1cccc([N+](=O)[O-])c1 ZINC000181533036 199313110 /nfs/dbraw/zinc/31/31/10/199313110.db2.gz IHTJHEVSTYWYDT-GXFFZTMASA-N 1 2 320.349 2.926 20 5 DFBDLO CN(Cc1[nH+]ccn1C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000018060010 398405377 /nfs/dbraw/zinc/40/53/77/398405377.db2.gz FOYSEXOIODQSAI-UHFFFAOYSA-N 1 2 314.267 2.984 20 5 DFBDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000066939829 398408119 /nfs/dbraw/zinc/40/81/19/398408119.db2.gz VNKLCCQUBRWNPP-BONVTDFDSA-N 1 2 317.320 2.611 20 5 DFBDLO Cc1cc(NCC[N@H+]2C[C@H](C)OC[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000596432839 398410424 /nfs/dbraw/zinc/41/04/24/398410424.db2.gz TXKSEYNHIMIFLL-NEPJUHHUSA-N 1 2 311.357 2.563 20 5 DFBDLO Cc1cc(NCC[N@@H+]2C[C@H](C)OC[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000596432839 398410428 /nfs/dbraw/zinc/41/04/28/398410428.db2.gz TXKSEYNHIMIFLL-NEPJUHHUSA-N 1 2 311.357 2.563 20 5 DFBDLO Cn1ncc2c1CCCN(c1[nH+]ccc3ccc([N+](=O)[O-])cc31)C2 ZINC000413477510 295711960 /nfs/dbraw/zinc/71/19/60/295711960.db2.gz GMTQQKSIBQFQGR-UHFFFAOYSA-N 1 2 323.356 2.829 20 5 DFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nnc(C(C)(C)C)[nH]1 ZINC000292938585 529933890 /nfs/dbraw/zinc/93/38/90/529933890.db2.gz NEHWNLQZPMKRJO-UHFFFAOYSA-N 1 2 317.393 2.685 20 5 DFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nnc(C(C)(C)C)[nH]1 ZINC000292938585 529933891 /nfs/dbraw/zinc/93/38/91/529933891.db2.gz NEHWNLQZPMKRJO-UHFFFAOYSA-N 1 2 317.393 2.685 20 5 DFBDLO CCO[C@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000585727045 398443054 /nfs/dbraw/zinc/44/30/54/398443054.db2.gz XMWXPBOEQWLNCP-NSHDSACASA-N 1 2 300.305 2.874 20 5 DFBDLO CCO[C@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000585727045 398443056 /nfs/dbraw/zinc/44/30/56/398443056.db2.gz XMWXPBOEQWLNCP-NSHDSACASA-N 1 2 300.305 2.874 20 5 DFBDLO CN(C)c1[nH+]cccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000049728533 282390906 /nfs/dbraw/zinc/39/09/06/282390906.db2.gz XHBXPVYUUIDISN-UHFFFAOYSA-N 1 2 320.736 2.962 20 5 DFBDLO COc1ccc(C[N@@H+]2C[C@H](C)OCC23CCC3)cc1[N+](=O)[O-] ZINC000593093420 398543810 /nfs/dbraw/zinc/54/38/10/398543810.db2.gz SMZKFSPSDWCRDU-LBPRGKRZSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1ccc(C[N@H+]2C[C@H](C)OCC23CCC3)cc1[N+](=O)[O-] ZINC000593093420 398543812 /nfs/dbraw/zinc/54/38/12/398543812.db2.gz SMZKFSPSDWCRDU-LBPRGKRZSA-N 1 2 306.362 2.747 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCSC(C)(C)C1 ZINC000083419037 192371624 /nfs/dbraw/zinc/37/16/24/192371624.db2.gz DEMQNYITTGNDPO-UHFFFAOYSA-N 1 2 323.418 2.669 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCSC(C)(C)C1 ZINC000083419037 192371625 /nfs/dbraw/zinc/37/16/25/192371625.db2.gz DEMQNYITTGNDPO-UHFFFAOYSA-N 1 2 323.418 2.669 20 5 DFBDLO CC1(C)C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1[C@H]1CCCO1 ZINC000589520396 398558754 /nfs/dbraw/zinc/55/87/54/398558754.db2.gz HCKMUPXSIKGZOF-CABCVRRESA-N 1 2 306.362 2.690 20 5 DFBDLO CC1(C)C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1[C@H]1CCCO1 ZINC000589520396 398558759 /nfs/dbraw/zinc/55/87/59/398558759.db2.gz HCKMUPXSIKGZOF-CABCVRRESA-N 1 2 306.362 2.690 20 5 DFBDLO CC1(C)C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1[C@@H]1CCCO1 ZINC000589520400 398559063 /nfs/dbraw/zinc/55/90/63/398559063.db2.gz HCKMUPXSIKGZOF-GJZGRUSLSA-N 1 2 306.362 2.690 20 5 DFBDLO CC1(C)C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1[C@@H]1CCCO1 ZINC000589520400 398559067 /nfs/dbraw/zinc/55/90/67/398559067.db2.gz HCKMUPXSIKGZOF-GJZGRUSLSA-N 1 2 306.362 2.690 20 5 DFBDLO C[C@H](CC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000593163780 398562046 /nfs/dbraw/zinc/56/20/46/398562046.db2.gz UMSIMUPRTHAKGX-GFCCVEGCSA-N 1 2 316.361 2.794 20 5 DFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cn(C2CCC2)nn1 ZINC000597126656 398571396 /nfs/dbraw/zinc/57/13/96/398571396.db2.gz BKRNYRKZUHVMOX-UHFFFAOYSA-N 1 2 315.377 2.586 20 5 DFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cn(C2CCC2)nn1 ZINC000597126656 398571399 /nfs/dbraw/zinc/57/13/99/398571399.db2.gz BKRNYRKZUHVMOX-UHFFFAOYSA-N 1 2 315.377 2.586 20 5 DFBDLO CCc1cc[nH+]cc1NCc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000593221828 398574031 /nfs/dbraw/zinc/57/40/31/398574031.db2.gz FJFIYAUTTYYEKD-UHFFFAOYSA-N 1 2 303.318 2.879 20 5 DFBDLO CC(C)CCN(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000590621529 398640322 /nfs/dbraw/zinc/64/03/22/398640322.db2.gz ODLFIJMJQAYWPN-UHFFFAOYSA-N 1 2 316.361 2.899 20 5 DFBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCC1 ZINC000590685182 398651262 /nfs/dbraw/zinc/65/12/62/398651262.db2.gz KRTIZNDBPKNXOL-LLVKDONJSA-N 1 2 314.345 2.699 20 5 DFBDLO Cc1[nH+]c2ccccc2n1CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000046147743 398698168 /nfs/dbraw/zinc/69/81/68/398698168.db2.gz RCFOMHQSNJCNMM-UHFFFAOYSA-N 1 2 324.340 2.569 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1[nH+]ccn1CC(C)C ZINC000131105196 283071745 /nfs/dbraw/zinc/07/17/45/283071745.db2.gz GCNSKZPIAXPROD-UHFFFAOYSA-N 1 2 316.361 2.686 20 5 DFBDLO CC1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC=CC1 ZINC000594072143 398737657 /nfs/dbraw/zinc/73/76/57/398737657.db2.gz DWAWHPITHKXCEB-UHFFFAOYSA-N 1 2 312.329 2.619 20 5 DFBDLO CC(C)(F)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000598200144 398767851 /nfs/dbraw/zinc/76/78/51/398767851.db2.gz ZCLVCEMTWVKZLG-UHFFFAOYSA-N 1 2 320.324 2.649 20 5 DFBDLO CC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000598234654 398776451 /nfs/dbraw/zinc/77/64/51/398776451.db2.gz WFGIDNFKGCOTDL-CYBMUJFWSA-N 1 2 314.345 2.699 20 5 DFBDLO CCC(C)(C)NC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135217932 283211149 /nfs/dbraw/zinc/21/11/49/283211149.db2.gz PCIYGZJKEGABQH-UHFFFAOYSA-N 1 2 319.405 2.864 20 5 DFBDLO CCC(C)(C)NC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135217932 283211152 /nfs/dbraw/zinc/21/11/52/283211152.db2.gz PCIYGZJKEGABQH-UHFFFAOYSA-N 1 2 319.405 2.864 20 5 DFBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cn2cccnc2n1)C1CC1 ZINC000135231319 283211926 /nfs/dbraw/zinc/21/19/26/283211926.db2.gz QHEUAAZWKKBOHG-UHFFFAOYSA-N 1 2 323.356 2.802 20 5 DFBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cn2cccnc2n1)C1CC1 ZINC000135231319 283211928 /nfs/dbraw/zinc/21/19/28/283211928.db2.gz QHEUAAZWKKBOHG-UHFFFAOYSA-N 1 2 323.356 2.802 20 5 DFBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c1 ZINC000075686557 398817726 /nfs/dbraw/zinc/81/77/26/398817726.db2.gz WQCUFFAZUWGUHI-UHFFFAOYSA-N 1 2 311.301 2.576 20 5 DFBDLO Cc1cc(C(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)ccc1[N+](=O)[O-] ZINC000276712925 213061250 /nfs/dbraw/zinc/06/12/50/213061250.db2.gz ZQZAUZMTORYKGJ-ZDUSSCGKSA-N 1 2 302.334 2.753 20 5 DFBDLO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075960009 398831065 /nfs/dbraw/zinc/83/10/65/398831065.db2.gz JAGIHRUXHBWQJX-NSHDSACASA-N 1 2 315.333 2.729 20 5 DFBDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000135571824 398871337 /nfs/dbraw/zinc/87/13/37/398871337.db2.gz MCOQBYBMXISRNG-AWEZNQCLSA-N 1 2 318.352 2.977 20 5 DFBDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000135571824 398871338 /nfs/dbraw/zinc/87/13/38/398871338.db2.gz MCOQBYBMXISRNG-AWEZNQCLSA-N 1 2 318.352 2.977 20 5 DFBDLO C[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c2ncnn21 ZINC000594958031 398881543 /nfs/dbraw/zinc/88/15/43/398881543.db2.gz XLUIOVGCTVKBEW-QPUJVOFHSA-N 1 2 307.741 2.635 20 5 DFBDLO Cc1noc(C2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)n1 ZINC000053639249 398879121 /nfs/dbraw/zinc/87/91/21/398879121.db2.gz VQFHATRJNGXPFL-UHFFFAOYSA-N 1 2 308.363 2.727 20 5 DFBDLO CCc1ccc([C@H]([NH2+]C/C=C\CO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000595068547 398902203 /nfs/dbraw/zinc/90/22/03/398902203.db2.gz IVYSGVLEVKZJGR-CWIOURORSA-N 1 2 316.357 2.978 20 5 DFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCN(CC(F)F)CC1 ZINC000599034615 398911107 /nfs/dbraw/zinc/91/11/07/398911107.db2.gz IOVDZIDCYDANNH-UHFFFAOYSA-N 1 2 322.315 2.530 20 5 DFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC[C@H](n2cncn2)C1 ZINC000599039473 398911552 /nfs/dbraw/zinc/91/15/52/398911552.db2.gz IVLOBGHLUOIRCS-ZDUSSCGKSA-N 1 2 324.344 2.576 20 5 DFBDLO Cn1cc([C@@H]2CCN(c3ccc4c[nH+]ccc4c3[N+](=O)[O-])C2)cn1 ZINC000599045215 398912256 /nfs/dbraw/zinc/91/22/56/398912256.db2.gz GWRCKVNONCJPBR-CYBMUJFWSA-N 1 2 323.356 2.870 20 5 DFBDLO O=[N+]([O-])c1c(N[C@H]2CCc3c[nH]nc3C2)ccc2c[nH+]ccc21 ZINC000599054583 398913717 /nfs/dbraw/zinc/91/37/17/398913717.db2.gz CCURJGYFGRUUHF-LBPRGKRZSA-N 1 2 309.329 2.836 20 5 DFBDLO CSC[C@H](CCO)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599049175 398913206 /nfs/dbraw/zinc/91/32/06/398913206.db2.gz UWOZQXUDSHLVTM-NSHDSACASA-N 1 2 307.375 2.669 20 5 DFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC(n2ccnn2)CC1 ZINC000599065791 398915625 /nfs/dbraw/zinc/91/56/25/398915625.db2.gz QXWIORZNUGVKPW-UHFFFAOYSA-N 1 2 324.344 2.576 20 5 DFBDLO CO[C@@H]1COCC[C@@H]1CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599082328 398918033 /nfs/dbraw/zinc/91/80/33/398918033.db2.gz DKVBYQYJCYLTOD-IUODEOHRSA-N 1 2 317.345 2.606 20 5 DFBDLO CO[C@H]1COCC[C@@H]1CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599082325 398918116 /nfs/dbraw/zinc/91/81/16/398918116.db2.gz DKVBYQYJCYLTOD-DOMZBBRYSA-N 1 2 317.345 2.606 20 5 DFBDLO CCn1nnc(C)c1CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000599089977 398919362 /nfs/dbraw/zinc/91/93/62/398919362.db2.gz RKWWCXPHIHSQIJ-UHFFFAOYSA-N 1 2 312.333 2.675 20 5 DFBDLO O=[N+]([O-])c1c(NCCO[C@@H]2CC2(F)F)ccc2c[nH+]ccc21 ZINC000599106685 398922107 /nfs/dbraw/zinc/92/21/07/398922107.db2.gz HCPOSHMAHWTATE-GFCCVEGCSA-N 1 2 309.272 2.979 20 5 DFBDLO Cc1noc(C[N@@H+]2CCOc3ccccc3[C@H]2C)c1[N+](=O)[O-] ZINC000595367182 398927983 /nfs/dbraw/zinc/92/79/83/398927983.db2.gz YMEBAZVADQBXNV-LLVKDONJSA-N 1 2 303.318 2.847 20 5 DFBDLO Cc1noc(C[N@H+]2CCOc3ccccc3[C@H]2C)c1[N+](=O)[O-] ZINC000595367182 398927988 /nfs/dbraw/zinc/92/79/88/398927988.db2.gz YMEBAZVADQBXNV-LLVKDONJSA-N 1 2 303.318 2.847 20 5 DFBDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000158406528 398957550 /nfs/dbraw/zinc/95/75/50/398957550.db2.gz VPWSLGFGUYLNTC-LYRGGWFBSA-N 1 2 324.352 2.502 20 5 DFBDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000158406528 398957554 /nfs/dbraw/zinc/95/75/54/398957554.db2.gz VPWSLGFGUYLNTC-LYRGGWFBSA-N 1 2 324.352 2.502 20 5 DFBDLO COc1ccc(C[N@@H+]2CCO[C@@](C)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000595617198 399002903 /nfs/dbraw/zinc/00/29/03/399002903.db2.gz GJANCENXCZOVNN-MRXNPFEDSA-N 1 2 306.362 2.604 20 5 DFBDLO COc1ccc(C[N@H+]2CCO[C@@](C)(C3CC3)C2)cc1[N+](=O)[O-] ZINC000595617198 399002908 /nfs/dbraw/zinc/00/29/08/399002908.db2.gz GJANCENXCZOVNN-MRXNPFEDSA-N 1 2 306.362 2.604 20 5 DFBDLO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1nnc2n1CCCC2 ZINC000359953404 299346084 /nfs/dbraw/zinc/34/60/84/299346084.db2.gz WSVKMHKQNFFALN-RYUDHWBXSA-N 1 2 315.377 2.934 20 5 DFBDLO COC(=O)[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000613540948 399015738 /nfs/dbraw/zinc/01/57/38/399015738.db2.gz IOZJMUWDDGVFBJ-IUCKJTJTSA-N 1 2 306.362 2.785 20 5 DFBDLO CC[C@H](C)[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000057304062 399031677 /nfs/dbraw/zinc/03/16/77/399031677.db2.gz KMEKPGGHJGQTGO-NWDGAFQWSA-N 1 2 316.361 2.945 20 5 DFBDLO COc1cc(C[N@@H+]2CC3(CCC3)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000595683171 399033908 /nfs/dbraw/zinc/03/39/08/399033908.db2.gz UUDGYDJZOFKWBG-GFCCVEGCSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1cc(C[N@H+]2CC3(CCC3)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000595683171 399033916 /nfs/dbraw/zinc/03/39/16/399033916.db2.gz UUDGYDJZOFKWBG-GFCCVEGCSA-N 1 2 306.362 2.747 20 5 DFBDLO O=c1ccc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2[N+](=O)[O-])n[nH]1 ZINC000599638140 399038899 /nfs/dbraw/zinc/03/88/99/399038899.db2.gz RDFYTBFWELTULG-ZDUSSCGKSA-N 1 2 318.308 2.567 20 5 DFBDLO O=c1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2[N+](=O)[O-])n[nH]1 ZINC000599638140 399038902 /nfs/dbraw/zinc/03/89/02/399038902.db2.gz RDFYTBFWELTULG-ZDUSSCGKSA-N 1 2 318.308 2.567 20 5 DFBDLO COc1cc(C[N@H+]2CCO[C@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000447851711 297321012 /nfs/dbraw/zinc/32/10/12/297321012.db2.gz UWLPPJISVMVNOY-HNNXBMFYSA-N 1 2 308.378 2.850 20 5 DFBDLO COc1cc(C[N@@H+]2CCO[C@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000447851711 297321009 /nfs/dbraw/zinc/32/10/09/297321009.db2.gz UWLPPJISVMVNOY-HNNXBMFYSA-N 1 2 308.378 2.850 20 5 DFBDLO CC(C)OC[C@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000613746091 399075832 /nfs/dbraw/zinc/07/58/32/399075832.db2.gz VHPGOTVZHLVGNE-GMNBZTITSA-N 1 2 320.389 2.734 20 5 DFBDLO CC(C)OC[C@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000613746091 399075835 /nfs/dbraw/zinc/07/58/35/399075835.db2.gz VHPGOTVZHLVGNE-GMNBZTITSA-N 1 2 320.389 2.734 20 5 DFBDLO C[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000595781057 399082369 /nfs/dbraw/zinc/08/23/69/399082369.db2.gz PWPJHJROLWQCMP-ZJUUUORDSA-N 1 2 300.305 2.872 20 5 DFBDLO C[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000595781057 399082374 /nfs/dbraw/zinc/08/23/74/399082374.db2.gz PWPJHJROLWQCMP-ZJUUUORDSA-N 1 2 300.305 2.872 20 5 DFBDLO Cn1ccnc1[C@H]([NH2+][C@@H]1CCC[C@@H]1F)c1cccc([N+](=O)[O-])c1 ZINC000340524029 284188540 /nfs/dbraw/zinc/18/85/40/284188540.db2.gz AXOGZHSAUYITIS-RRFJBIMHSA-N 1 2 318.352 2.898 20 5 DFBDLO Cc1cc(NC[C@H](C)[NH+]2CCOCC2)c(Cl)cc1[N+](=O)[O-] ZINC000080553765 399157877 /nfs/dbraw/zinc/15/78/77/399157877.db2.gz MWLRBZHDLOXMJG-NSHDSACASA-N 1 2 313.785 2.689 20 5 DFBDLO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@]2(CCOC2)O1 ZINC000282466842 217016404 /nfs/dbraw/zinc/01/64/04/217016404.db2.gz KLFIKNKNFYFTAW-MRXNPFEDSA-N 1 2 324.352 2.504 20 5 DFBDLO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@]2(CCOC2)O1 ZINC000282466842 217016405 /nfs/dbraw/zinc/01/64/05/217016405.db2.gz KLFIKNKNFYFTAW-MRXNPFEDSA-N 1 2 324.352 2.504 20 5 DFBDLO Cn1c2ccccc2[nH+]c1CCCNc1ncccc1[N+](=O)[O-] ZINC000080760410 399175975 /nfs/dbraw/zinc/17/59/75/399175975.db2.gz BCLYPWVACVOVDS-UHFFFAOYSA-N 1 2 311.345 2.921 20 5 DFBDLO O=[N+]([O-])c1ccc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)nc1 ZINC000063254624 399181554 /nfs/dbraw/zinc/18/15/54/399181554.db2.gz PXIYIZPMSQGNRJ-UHFFFAOYSA-N 1 2 313.292 2.927 20 5 DFBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1cc(C)[nH+]c(C)c1 ZINC000420657577 296196447 /nfs/dbraw/zinc/19/64/47/296196447.db2.gz XBVIIINFCPQINJ-UHFFFAOYSA-N 1 2 314.345 2.578 20 5 DFBDLO COc1ccc(C[NH2+]Cc2noc3c2CCCC3)cc1[N+](=O)[O-] ZINC000288546082 220222117 /nfs/dbraw/zinc/22/21/17/220222117.db2.gz XHMKPUZUANFOCY-UHFFFAOYSA-N 1 2 317.345 2.760 20 5 DFBDLO Cc1cnc(C[N@@H+](C)[C@@H]2CCN(c3ccsc3[N+](=O)[O-])C2)o1 ZINC000601131389 399236249 /nfs/dbraw/zinc/23/62/49/399236249.db2.gz JNYIYBNVBNBPSN-LLVKDONJSA-N 1 2 322.390 2.663 20 5 DFBDLO Cc1cnc(C[N@H+](C)[C@@H]2CCN(c3ccsc3[N+](=O)[O-])C2)o1 ZINC000601131389 399236252 /nfs/dbraw/zinc/23/62/52/399236252.db2.gz JNYIYBNVBNBPSN-LLVKDONJSA-N 1 2 322.390 2.663 20 5 DFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@]34CCOC4)co2)cc1 ZINC000421028677 296228271 /nfs/dbraw/zinc/22/82/71/296228271.db2.gz WPWLGFDKGJEURH-MRXNPFEDSA-N 1 2 315.329 2.615 20 5 DFBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@]34CCOC4)co2)cc1 ZINC000421028677 296228273 /nfs/dbraw/zinc/22/82/73/296228273.db2.gz WPWLGFDKGJEURH-MRXNPFEDSA-N 1 2 315.329 2.615 20 5 DFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCn1cc[nH+]c1 ZINC000041063104 183161169 /nfs/dbraw/zinc/16/11/69/183161169.db2.gz SCUDLHSYPNTGCK-UHFFFAOYSA-N 1 2 300.240 2.922 20 5 DFBDLO CC1(C)[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])[C@H]2CCCO[C@@H]21 ZINC000344626717 284658742 /nfs/dbraw/zinc/65/87/42/284658742.db2.gz KTKOHNYFZNPKCR-YUELXQCFSA-N 1 2 306.362 2.594 20 5 DFBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCc2cc(C)[nH+]c(C)c2)c1 ZINC000421578906 296267787 /nfs/dbraw/zinc/26/77/87/296267787.db2.gz SIBNYOAGBQRHLK-UHFFFAOYSA-N 1 2 315.329 2.545 20 5 DFBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609135174 399305314 /nfs/dbraw/zinc/30/53/14/399305314.db2.gz LIHPFMYQBBXXIM-CQSZACIVSA-N 1 2 315.333 2.660 20 5 DFBDLO Cc1nc(C)n([C@@H]2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)n1 ZINC000609260464 399311615 /nfs/dbraw/zinc/31/16/15/399311615.db2.gz QMWGGYCUGLHSBA-CYBMUJFWSA-N 1 2 321.406 2.702 20 5 DFBDLO Cc1nc(C)n([C@@H]2CCC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)n1 ZINC000609260464 399311617 /nfs/dbraw/zinc/31/16/17/399311617.db2.gz QMWGGYCUGLHSBA-CYBMUJFWSA-N 1 2 321.406 2.702 20 5 DFBDLO C[C@@](CO)([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000609537191 399322479 /nfs/dbraw/zinc/32/24/79/399322479.db2.gz ZXKYJAQVYSMFFH-INIZCTEOSA-N 1 2 304.321 2.731 20 5 DFBDLO O=C(Nc1ccc2[nH+]ccn2c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000609619354 399326371 /nfs/dbraw/zinc/32/63/71/399326371.db2.gz AUPBPTJKRGJVIK-UHFFFAOYSA-N 1 2 321.296 2.976 20 5 DFBDLO CCn1c[nH+]cc1[C@@H]1CCCCN1c1ccc([N+](=O)[O-])nc1 ZINC000609797005 399332163 /nfs/dbraw/zinc/33/21/63/399332163.db2.gz JNQNZEGGXLKLFO-ZDUSSCGKSA-N 1 2 301.350 2.938 20 5 DFBDLO COc1cc(C[NH+]2CCC(F)(F)CC2)c([N+](=O)[O-])cc1OC ZINC000619434028 399345689 /nfs/dbraw/zinc/34/56/89/399345689.db2.gz OJKDLZSDYCRSQV-UHFFFAOYSA-N 1 2 316.304 2.843 20 5 DFBDLO CCOc1cccc(NCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000273858888 211120323 /nfs/dbraw/zinc/12/03/23/211120323.db2.gz LVFXJEQCIWDTTM-UHFFFAOYSA-N 1 2 302.334 2.913 20 5 DFBDLO O=C(Nc1ccn2cc[nH+]c2c1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000619566795 399362854 /nfs/dbraw/zinc/36/28/54/399362854.db2.gz OYYJLBYGSZQNGE-UHFFFAOYSA-N 1 2 321.296 2.976 20 5 DFBDLO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](C(F)(F)F)O1 ZINC000610410532 399365675 /nfs/dbraw/zinc/36/56/75/399365675.db2.gz XDEIMOYHXNQFLM-ZWNOBZJWSA-N 1 2 318.295 2.789 20 5 DFBDLO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](C(F)(F)F)O1 ZINC000610410532 399365678 /nfs/dbraw/zinc/36/56/78/399365678.db2.gz XDEIMOYHXNQFLM-ZWNOBZJWSA-N 1 2 318.295 2.789 20 5 DFBDLO CC(C)c1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)[nH]1 ZINC000285011596 218255857 /nfs/dbraw/zinc/25/58/57/218255857.db2.gz HECIXYNQQFWDNP-UWVGGRQHSA-N 1 2 318.381 2.830 20 5 DFBDLO CC(C)c1nnc([C@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)[nH]1 ZINC000285011603 218255868 /nfs/dbraw/zinc/25/58/68/218255868.db2.gz HECIXYNQQFWDNP-ZJUUUORDSA-N 1 2 318.381 2.830 20 5 DFBDLO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581280 399382905 /nfs/dbraw/zinc/38/29/05/399382905.db2.gz XMXWMMCCKNNMML-WDEREUQCSA-N 1 2 305.334 2.735 20 5 DFBDLO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581280 399382907 /nfs/dbraw/zinc/38/29/07/399382907.db2.gz XMXWMMCCKNNMML-WDEREUQCSA-N 1 2 305.334 2.735 20 5 DFBDLO CCc1ccc(C(=O)N(C)CCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000154894998 197003638 /nfs/dbraw/zinc/00/36/38/197003638.db2.gz MEOJIXXWEUKHHQ-UHFFFAOYSA-N 1 2 316.361 2.516 20 5 DFBDLO CO[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000285243305 218347689 /nfs/dbraw/zinc/34/76/89/218347689.db2.gz HUGOHCIHUMOEQJ-ONGXEEELSA-N 1 2 300.305 2.872 20 5 DFBDLO CO[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000285243305 218347691 /nfs/dbraw/zinc/34/76/91/218347691.db2.gz HUGOHCIHUMOEQJ-ONGXEEELSA-N 1 2 300.305 2.872 20 5 DFBDLO COc1cc(N2CCC[C@H](n3cc[nH+]c3)C2)c(F)cc1[N+](=O)[O-] ZINC000611255957 399452405 /nfs/dbraw/zinc/45/24/05/399452405.db2.gz KPCKFRLZSSZOCB-NSHDSACASA-N 1 2 320.324 2.781 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(OCC2CC2)CC1 ZINC000611274476 399456157 /nfs/dbraw/zinc/45/61/57/399456157.db2.gz VQUPRMNSPICHKV-UHFFFAOYSA-N 1 2 306.362 2.691 20 5 DFBDLO C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1F ZINC000611501720 399483479 /nfs/dbraw/zinc/48/34/79/399483479.db2.gz HMSLTNBXKQNWEU-ZWNOBZJWSA-N 1 2 320.324 2.825 20 5 DFBDLO C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1F ZINC000611501720 399483482 /nfs/dbraw/zinc/48/34/82/399483482.db2.gz HMSLTNBXKQNWEU-ZWNOBZJWSA-N 1 2 320.324 2.825 20 5 DFBDLO C[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1F ZINC000611521559 399487321 /nfs/dbraw/zinc/48/73/21/399487321.db2.gz VAXQEHWGRPMOAZ-ZYHUDNBSSA-N 1 2 310.325 2.546 20 5 DFBDLO C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1F ZINC000611521559 399487324 /nfs/dbraw/zinc/48/73/24/399487324.db2.gz VAXQEHWGRPMOAZ-ZYHUDNBSSA-N 1 2 310.325 2.546 20 5 DFBDLO COc1cc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1[N+](=O)[O-] ZINC000301627803 532958553 /nfs/dbraw/zinc/95/85/53/532958553.db2.gz HLZMGQGBBZNWCA-CQSZACIVSA-N 1 2 315.329 2.656 20 5 DFBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C2CC2)CC1 ZINC000347365043 285016959 /nfs/dbraw/zinc/01/69/59/285016959.db2.gz SKVXMFZZOHXBAA-KAMYIIQDSA-N 1 2 301.390 2.778 20 5 DFBDLO Cc1cc(N[C@@H]2CCC[C@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000270280756 208355652 /nfs/dbraw/zinc/35/56/52/208355652.db2.gz YAAKPERDOHCWOK-ZIAGYGMSSA-N 1 2 314.345 2.686 20 5 DFBDLO O=[N+]([O-])c1ccc(N2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)nc1 ZINC000275798011 285124844 /nfs/dbraw/zinc/12/48/44/285124844.db2.gz ZUEPCQCHJAZMLD-AWEZNQCLSA-N 1 2 313.361 2.933 20 5 DFBDLO COc1nccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000294582943 224102583 /nfs/dbraw/zinc/10/25/83/224102583.db2.gz QNZDBRFOFKIOCM-UHFFFAOYSA-N 1 2 314.345 2.558 20 5 DFBDLO COc1nccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000294582943 224102584 /nfs/dbraw/zinc/10/25/84/224102584.db2.gz QNZDBRFOFKIOCM-UHFFFAOYSA-N 1 2 314.345 2.558 20 5 DFBDLO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602795757 399577420 /nfs/dbraw/zinc/57/74/20/399577420.db2.gz COEZBSHGDYCLRO-QWRGUYRKSA-N 1 2 318.352 2.975 20 5 DFBDLO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602795757 399577425 /nfs/dbraw/zinc/57/74/25/399577425.db2.gz COEZBSHGDYCLRO-QWRGUYRKSA-N 1 2 318.352 2.975 20 5 DFBDLO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)[nH]1 ZINC000271597790 209044857 /nfs/dbraw/zinc/04/48/57/209044857.db2.gz ZFBTXDHBJVSKRG-QWRGUYRKSA-N 1 2 303.366 2.996 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1nnc(C(C)C)[nH]1 ZINC000294900915 224296691 /nfs/dbraw/zinc/29/66/91/224296691.db2.gz XFPQNCOVTCWFJS-UHFFFAOYSA-N 1 2 319.365 2.525 20 5 DFBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2nnc(C3CC3)[nH]2)c(Cl)c1 ZINC000294932404 224320274 /nfs/dbraw/zinc/32/02/74/224320274.db2.gz ZPUUNKGBEPTQBK-UHFFFAOYSA-N 1 2 307.741 2.534 20 5 DFBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1[nH+]ccn1C ZINC000289862465 221276147 /nfs/dbraw/zinc/27/61/47/221276147.db2.gz RDRIMRRSKPSJFI-UHFFFAOYSA-N 1 2 317.349 2.555 20 5 DFBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000289950009 221335858 /nfs/dbraw/zinc/33/58/58/221335858.db2.gz XSIZNRXQLKZFNR-NSHDSACASA-N 1 2 317.349 2.564 20 5 DFBDLO C[C@@](CO)([NH2+]Cc1ncccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000602962797 399641341 /nfs/dbraw/zinc/64/13/41/399641341.db2.gz PBNYLBWQIXDVMU-HNNXBMFYSA-N 1 2 321.764 2.641 20 5 DFBDLO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000612461098 399658715 /nfs/dbraw/zinc/65/87/15/399658715.db2.gz FVBCKRUPUSFUJV-VIFPVBQESA-N 1 2 315.333 2.629 20 5 DFBDLO CN(C)c1cccc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000612469206 399659611 /nfs/dbraw/zinc/65/96/11/399659611.db2.gz PJCCNCDBULSZPO-UHFFFAOYSA-N 1 2 312.373 2.614 20 5 DFBDLO CN(C)c1cccc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000612469206 399659614 /nfs/dbraw/zinc/65/96/14/399659614.db2.gz PJCCNCDBULSZPO-UHFFFAOYSA-N 1 2 312.373 2.614 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H]2CCCn3nccc32)c(F)c1 ZINC000603028148 399660732 /nfs/dbraw/zinc/66/07/32/399660732.db2.gz ABXKQUJQDJBGQN-ZDUSSCGKSA-N 1 2 308.288 2.694 20 5 DFBDLO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000603428288 399773759 /nfs/dbraw/zinc/77/37/59/399773759.db2.gz GPGBDDCRNSXBID-DTWKUNHWSA-N 1 2 301.293 2.555 20 5 DFBDLO Cc1cnc([C@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)s1 ZINC000366630504 131051953 /nfs/dbraw/zinc/05/19/53/131051953.db2.gz MPMZLWGQIIDVPC-CYBMUJFWSA-N 1 2 321.406 2.783 20 5 DFBDLO Cc1cnc([C@H]2CCCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)s1 ZINC000366630504 131051955 /nfs/dbraw/zinc/05/19/55/131051955.db2.gz MPMZLWGQIIDVPC-CYBMUJFWSA-N 1 2 321.406 2.783 20 5 DFBDLO Cc1cc(-n2cc[nH+]c2)ccc1Cn1cc([N+](=O)[O-])cc(C)c1=O ZINC000194557839 542861926 /nfs/dbraw/zinc/86/19/26/542861926.db2.gz GNZSWRVKJYKNQX-UHFFFAOYSA-N 1 2 324.340 2.607 20 5 DFBDLO O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@@H]2c2[nH]cc[nH+]2)s1 ZINC000376393496 296502403 /nfs/dbraw/zinc/50/24/03/296502403.db2.gz CRTRYDQEPYBXPN-SECBINFHSA-N 1 2 316.346 2.664 20 5 DFBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccn2cc[nH+]c2c1 ZINC000492825195 299661002 /nfs/dbraw/zinc/66/10/02/299661002.db2.gz BVHZSJFKPRBJLA-ZZXKWVIFSA-N 1 2 308.297 2.894 20 5 DFBDLO CCn1c[nH+]cc1[C@H]1CCCCN1c1ncccc1[N+](=O)[O-] ZINC000604556123 399855660 /nfs/dbraw/zinc/85/56/60/399855660.db2.gz LBTVHQFDSOURBM-GFCCVEGCSA-N 1 2 301.350 2.938 20 5 DFBDLO [NH3+][C@H](CC1CCCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000261987551 146317147 /nfs/dbraw/zinc/31/71/47/146317147.db2.gz BBNMXDUFXUXSHM-GFCCVEGCSA-N 1 2 307.350 2.537 20 5 DFBDLO CC(C)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1nccs1 ZINC000361272845 149072243 /nfs/dbraw/zinc/07/22/43/149072243.db2.gz MHXACTYYVIDXFW-UHFFFAOYSA-N 1 2 317.374 2.953 20 5 DFBDLO Cc1c(C[N@@H+]2CCO[C@H](COCC3CC3)C2)cccc1[N+](=O)[O-] ZINC000362597541 149319481 /nfs/dbraw/zinc/31/94/81/149319481.db2.gz YKZQWKWPUREVOR-INIZCTEOSA-N 1 2 320.389 2.531 20 5 DFBDLO Cc1c(C[N@H+]2CCO[C@H](COCC3CC3)C2)cccc1[N+](=O)[O-] ZINC000362597541 149319483 /nfs/dbraw/zinc/31/94/83/149319483.db2.gz YKZQWKWPUREVOR-INIZCTEOSA-N 1 2 320.389 2.531 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H](CO)c2ccccc2)c(F)c1 ZINC000351754135 286210575 /nfs/dbraw/zinc/21/05/75/286210575.db2.gz ZCAHWRUUQBEACF-OAHLLOKOSA-N 1 2 308.284 2.696 20 5 DFBDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000351817358 286225201 /nfs/dbraw/zinc/22/52/01/286225201.db2.gz ACHDDLHAPZBYBX-OAHLLOKOSA-N 1 2 323.368 2.567 20 5 DFBDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000351817358 286225203 /nfs/dbraw/zinc/22/52/03/286225203.db2.gz ACHDDLHAPZBYBX-OAHLLOKOSA-N 1 2 323.368 2.567 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cc(O)cc(F)c1)CC2 ZINC000351989300 286262623 /nfs/dbraw/zinc/26/26/23/286262623.db2.gz RZLSAIDIDRSHGD-UHFFFAOYSA-N 1 2 302.305 2.998 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cc(O)cc(F)c1)CC2 ZINC000351989300 286262624 /nfs/dbraw/zinc/26/26/24/286262624.db2.gz RZLSAIDIDRSHGD-UHFFFAOYSA-N 1 2 302.305 2.998 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCc2c([nH+]cn2C)C1 ZINC000371492714 292296491 /nfs/dbraw/zinc/29/64/91/292296491.db2.gz IJCFGACVABPNRE-LBPRGKRZSA-N 1 2 300.362 2.756 20 5 DFBDLO Cc1cnc([C@@H](C)[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000356988433 158339644 /nfs/dbraw/zinc/33/96/44/158339644.db2.gz QURBAEBRUPLJBI-NEPJUHHUSA-N 1 2 317.349 2.534 20 5 DFBDLO Cc1cnc([C@@H](C)[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000356988433 158339648 /nfs/dbraw/zinc/33/96/48/158339648.db2.gz QURBAEBRUPLJBI-NEPJUHHUSA-N 1 2 317.349 2.534 20 5 DFBDLO Cn1cccc1C(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130998134 196131009 /nfs/dbraw/zinc/13/10/09/196131009.db2.gz BGGNWTCZDWJYQT-UHFFFAOYSA-N 1 2 313.357 2.781 20 5 DFBDLO Cn1cccc1C(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130998134 196131011 /nfs/dbraw/zinc/13/10/11/196131011.db2.gz BGGNWTCZDWJYQT-UHFFFAOYSA-N 1 2 313.357 2.781 20 5 DFBDLO Cn1ncc2c1nc[nH+]c2NCc1ccc([N+](=O)[O-])cc1Cl ZINC000183981903 267762996 /nfs/dbraw/zinc/76/29/96/267762996.db2.gz SZPWCJSZRODGDO-UHFFFAOYSA-N 1 2 318.724 2.537 20 5 DFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccco1 ZINC000030276119 425830928 /nfs/dbraw/zinc/83/09/28/425830928.db2.gz SHKMNGRQWVPUMI-NSHDSACASA-N 1 2 303.318 2.647 20 5 DFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccco1 ZINC000030276119 425830929 /nfs/dbraw/zinc/83/09/29/425830929.db2.gz SHKMNGRQWVPUMI-NSHDSACASA-N 1 2 303.318 2.647 20 5 DFBDLO Cc1noc(C)c1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000030910108 425833324 /nfs/dbraw/zinc/83/33/24/425833324.db2.gz RPNGCYMMBJBWNI-UHFFFAOYSA-N 1 2 316.361 2.522 20 5 DFBDLO CN(C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000046599137 425865508 /nfs/dbraw/zinc/86/55/08/425865508.db2.gz JZJFZVPTEDYNIP-UHFFFAOYSA-N 1 2 319.405 2.818 20 5 DFBDLO CN(C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000046599137 425865509 /nfs/dbraw/zinc/86/55/09/425865509.db2.gz JZJFZVPTEDYNIP-UHFFFAOYSA-N 1 2 319.405 2.818 20 5 DFBDLO CC(C)CCNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599433 425865603 /nfs/dbraw/zinc/86/56/03/425865603.db2.gz BXYRMJFIBTYRQQ-ZDUSSCGKSA-N 1 2 307.394 2.577 20 5 DFBDLO CC(C)CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599433 425865604 /nfs/dbraw/zinc/86/56/04/425865604.db2.gz BXYRMJFIBTYRQQ-ZDUSSCGKSA-N 1 2 307.394 2.577 20 5 DFBDLO COC(=O)[C@H](C)[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C1CCC1 ZINC000191641772 268007558 /nfs/dbraw/zinc/00/75/58/268007558.db2.gz KVUZPBIWIVROGX-LBPRGKRZSA-N 1 2 306.362 2.819 20 5 DFBDLO COC(=O)[C@H](C)[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C1CCC1 ZINC000191641772 268007562 /nfs/dbraw/zinc/00/75/62/268007562.db2.gz KVUZPBIWIVROGX-LBPRGKRZSA-N 1 2 306.362 2.819 20 5 DFBDLO Cc1cccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000263945219 268171748 /nfs/dbraw/zinc/17/17/48/268171748.db2.gz LGSUORDSNFZBFR-LBPRGKRZSA-N 1 2 314.345 2.646 20 5 DFBDLO COC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000050048082 425881331 /nfs/dbraw/zinc/88/13/31/425881331.db2.gz YXBGIVQTZPKVHA-UHFFFAOYSA-N 1 2 312.753 2.633 20 5 DFBDLO CCOc1ccc(C(=O)Nc2cc[nH+]cc2C)cc1[N+](=O)[O-] ZINC000107287759 425987730 /nfs/dbraw/zinc/98/77/30/425987730.db2.gz NAPBCVYQWOGREK-UHFFFAOYSA-N 1 2 301.302 2.949 20 5 DFBDLO CC[C@@](C)(O)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000112079143 426064947 /nfs/dbraw/zinc/06/49/47/426064947.db2.gz PXLSISTVHLJCIU-MRXNPFEDSA-N 1 2 316.361 2.933 20 5 DFBDLO Cc1cc(NC(=O)CCOc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000112298213 426070367 /nfs/dbraw/zinc/07/03/67/426070367.db2.gz RHIOEHKCBQAICX-UHFFFAOYSA-N 1 2 301.302 2.706 20 5 DFBDLO C[C@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCS1 ZINC000171691262 426204486 /nfs/dbraw/zinc/20/44/86/426204486.db2.gz DAXYBBHHPQHRMX-JTQLQIEISA-N 1 2 320.374 2.582 20 5 DFBDLO C[C@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCS1 ZINC000171691262 426204489 /nfs/dbraw/zinc/20/44/89/426204489.db2.gz DAXYBBHHPQHRMX-JTQLQIEISA-N 1 2 320.374 2.582 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCNc1cccc[nH+]1 ZINC000115162261 426156203 /nfs/dbraw/zinc/15/62/03/426156203.db2.gz YITBPCLPKNNGQD-UHFFFAOYSA-N 1 2 314.345 2.530 20 5 DFBDLO CN(Cc1ccc(N)[nH+]c1)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000135981538 426232233 /nfs/dbraw/zinc/23/22/33/426232233.db2.gz XWXNDNCMUIFREF-UHFFFAOYSA-N 1 2 309.329 2.757 20 5 DFBDLO CC(C)C[C@H](C)N(C)C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000079961041 426207379 /nfs/dbraw/zinc/20/73/79/426207379.db2.gz CBHMDUMXILPZQG-AWEZNQCLSA-N 1 2 321.421 2.920 20 5 DFBDLO CC(C)C[C@H](C)N(C)C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000079961041 426207382 /nfs/dbraw/zinc/20/73/82/426207382.db2.gz CBHMDUMXILPZQG-AWEZNQCLSA-N 1 2 321.421 2.920 20 5 DFBDLO Cc1nc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000151674306 426307498 /nfs/dbraw/zinc/30/74/98/426307498.db2.gz JFGSOVQZBUMSCI-SMDDNHRTSA-N 1 2 301.350 2.582 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000122341599 426370766 /nfs/dbraw/zinc/37/07/66/426370766.db2.gz IJQGUYKKKUBUOT-OAHLLOKOSA-N 1 2 316.361 2.578 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC2(CCC2)C1 ZINC000154323911 426435827 /nfs/dbraw/zinc/43/58/27/426435827.db2.gz RXOGSYHGMZIBCA-UHFFFAOYSA-N 1 2 306.362 2.748 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC2(CCC2)C1 ZINC000154323911 426435831 /nfs/dbraw/zinc/43/58/31/426435831.db2.gz RXOGSYHGMZIBCA-UHFFFAOYSA-N 1 2 306.362 2.748 20 5 DFBDLO CCn1c(C)nc([N+](=O)[O-])c1NCc1cn2ccc(C)cc2[nH+]1 ZINC000288141821 426512034 /nfs/dbraw/zinc/51/20/34/426512034.db2.gz NLPAAXMSXCSQTQ-UHFFFAOYSA-N 1 2 314.349 2.688 20 5 DFBDLO O=C(C[N@@H+]1CCCc2occc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000288779973 426529971 /nfs/dbraw/zinc/52/99/71/426529971.db2.gz KIXYTFXXKPFPKK-UHFFFAOYSA-N 1 2 315.329 2.575 20 5 DFBDLO O=C(C[N@H+]1CCCc2occc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000288779973 426529974 /nfs/dbraw/zinc/52/99/74/426529974.db2.gz KIXYTFXXKPFPKK-UHFFFAOYSA-N 1 2 315.329 2.575 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC=C(C)C1 ZINC000280687994 426634535 /nfs/dbraw/zinc/63/45/35/426634535.db2.gz AUCPIAOCEAVTAC-LBPRGKRZSA-N 1 2 319.361 2.582 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC=C(C)C1 ZINC000280687994 426634539 /nfs/dbraw/zinc/63/45/39/426634539.db2.gz AUCPIAOCEAVTAC-LBPRGKRZSA-N 1 2 319.361 2.582 20 5 DFBDLO CC1=CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000280722615 426642351 /nfs/dbraw/zinc/64/23/51/426642351.db2.gz FWUZUGVGIFAZDU-UHFFFAOYSA-N 1 2 309.753 2.839 20 5 DFBDLO CC1=CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000280722615 426642353 /nfs/dbraw/zinc/64/23/53/426642353.db2.gz FWUZUGVGIFAZDU-UHFFFAOYSA-N 1 2 309.753 2.839 20 5 DFBDLO COc1cc(C[N@H+](C)Cc2ccccn2)c([N+](=O)[O-])cc1OC ZINC000273444380 426665727 /nfs/dbraw/zinc/66/57/27/426665727.db2.gz XANCKBGHHRAHCW-UHFFFAOYSA-N 1 2 317.345 2.639 20 5 DFBDLO COc1cc(C[N@@H+](C)Cc2ccccn2)c([N+](=O)[O-])cc1OC ZINC000273444380 426665732 /nfs/dbraw/zinc/66/57/32/426665732.db2.gz XANCKBGHHRAHCW-UHFFFAOYSA-N 1 2 317.345 2.639 20 5 DFBDLO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1nnc2n1CCCC2 ZINC000178660145 426670895 /nfs/dbraw/zinc/67/08/95/426670895.db2.gz AGQRBQPKULJCLK-RYUDHWBXSA-N 1 2 315.377 2.934 20 5 DFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cn(C(C)(C)C)nn1 ZINC000289320789 426627573 /nfs/dbraw/zinc/62/75/73/426627573.db2.gz FQUNNCQORVHTBS-UHFFFAOYSA-N 1 2 317.393 2.616 20 5 DFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cn(C(C)(C)C)nn1 ZINC000289320789 426627578 /nfs/dbraw/zinc/62/75/78/426627578.db2.gz FQUNNCQORVHTBS-UHFFFAOYSA-N 1 2 317.393 2.616 20 5 DFBDLO Cc1cnc(N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)s1 ZINC000265406476 426630476 /nfs/dbraw/zinc/63/04/76/426630476.db2.gz CAAQVXVWSVEGBO-UHFFFAOYSA-N 1 2 318.402 2.682 20 5 DFBDLO COC(=O)C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000179393408 426785147 /nfs/dbraw/zinc/78/51/47/426785147.db2.gz JRLYRXOWJBGWMR-UHFFFAOYSA-N 1 2 320.370 2.928 20 5 DFBDLO COC(=O)C[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000179393408 426785152 /nfs/dbraw/zinc/78/51/52/426785152.db2.gz JRLYRXOWJBGWMR-UHFFFAOYSA-N 1 2 320.370 2.928 20 5 DFBDLO COCc1cc([N+](=O)[O-])ccc1NCc1cn2c([nH+]1)CCCC2 ZINC000266982407 426807030 /nfs/dbraw/zinc/80/70/30/426807030.db2.gz QJSJZZQNVFGBRU-UHFFFAOYSA-N 1 2 316.361 2.886 20 5 DFBDLO COc1cc(C[NH2+]Cc2occc2C)c([N+](=O)[O-])cc1OC ZINC000291762239 426979027 /nfs/dbraw/zinc/97/90/27/426979027.db2.gz RPBCDHPQHLPMPB-UHFFFAOYSA-N 1 2 306.318 2.803 20 5 DFBDLO C[C@@]1(F)CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000295385466 426937746 /nfs/dbraw/zinc/93/77/46/426937746.db2.gz KUIXWKGLQCJELD-OAHLLOKOSA-N 1 2 320.324 2.969 20 5 DFBDLO C[C@@]1(F)CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000295385466 426937750 /nfs/dbraw/zinc/93/77/50/426937750.db2.gz KUIXWKGLQCJELD-OAHLLOKOSA-N 1 2 320.324 2.969 20 5 DFBDLO O=[N+]([O-])c1cnc(NC2CCN(c3cccc[nH+]3)CC2)s1 ZINC000190316719 427074028 /nfs/dbraw/zinc/07/40/28/427074028.db2.gz FMHSEPRIMPVKRF-UHFFFAOYSA-N 1 2 305.363 2.527 20 5 DFBDLO CCCCC[N@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182465749 427082426 /nfs/dbraw/zinc/08/24/26/427082426.db2.gz OQOIUEJFVQNJMW-UHFFFAOYSA-N 1 2 313.785 2.726 20 5 DFBDLO CCCCC[N@@H+](CC(N)=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182465749 427082429 /nfs/dbraw/zinc/08/24/29/427082429.db2.gz OQOIUEJFVQNJMW-UHFFFAOYSA-N 1 2 313.785 2.726 20 5 DFBDLO CC(C)c1nnc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])n1C ZINC000292272479 427152784 /nfs/dbraw/zinc/15/27/84/427152784.db2.gz ZSQPKJYIUAEENN-UHFFFAOYSA-N 1 2 317.393 2.872 20 5 DFBDLO CCOC(=O)[C@H](CC)[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000190613290 271214662 /nfs/dbraw/zinc/21/46/62/271214662.db2.gz YNYSIYLHYAELDF-HNNXBMFYSA-N 1 2 306.362 2.901 20 5 DFBDLO CCOC(=O)[C@H](CC)[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000190613290 271214665 /nfs/dbraw/zinc/21/46/65/271214665.db2.gz YNYSIYLHYAELDF-HNNXBMFYSA-N 1 2 306.362 2.901 20 5 DFBDLO Cc1c([C@@H](C)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)cnn1C ZINC000285573859 427276023 /nfs/dbraw/zinc/27/60/23/427276023.db2.gz JVBLBRGIMWORJT-MRVPVSSYSA-N 1 2 310.304 2.766 20 5 DFBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC1(O)CCCC1 ZINC000285655598 427301619 /nfs/dbraw/zinc/30/16/19/427301619.db2.gz OSYBYIVONWUAEF-UHFFFAOYSA-N 1 2 300.305 2.610 20 5 DFBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC1(O)CCCC1 ZINC000285655598 427301624 /nfs/dbraw/zinc/30/16/24/427301624.db2.gz OSYBYIVONWUAEF-UHFFFAOYSA-N 1 2 300.305 2.610 20 5 DFBDLO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)s1 ZINC000331040009 427331270 /nfs/dbraw/zinc/33/12/70/427331270.db2.gz BTOMKCLXJLECIQ-SECBINFHSA-N 1 2 309.395 2.595 20 5 DFBDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)s1 ZINC000331040009 427331273 /nfs/dbraw/zinc/33/12/73/427331273.db2.gz BTOMKCLXJLECIQ-SECBINFHSA-N 1 2 309.395 2.595 20 5 DFBDLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338380607 427289944 /nfs/dbraw/zinc/28/99/44/427289944.db2.gz LMVUEVPWGXYJHI-LBPRGKRZSA-N 1 2 308.378 2.799 20 5 DFBDLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338380607 427289952 /nfs/dbraw/zinc/28/99/52/427289952.db2.gz LMVUEVPWGXYJHI-LBPRGKRZSA-N 1 2 308.378 2.799 20 5 DFBDLO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2nncn2C)cc1[N+](=O)[O-] ZINC000271019104 427373934 /nfs/dbraw/zinc/37/39/34/427373934.db2.gz AAMIZKAPNNKHQC-MNOVXSKESA-N 1 2 319.365 2.534 20 5 DFBDLO CC[C@@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H](C)[S@@]1=O ZINC000286069854 427416011 /nfs/dbraw/zinc/41/60/11/427416011.db2.gz RUZBTZKWAAEJQF-IMHPKZGASA-N 1 2 310.419 2.887 20 5 DFBDLO CC[C@@H]1C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H](C)[S@@]1=O ZINC000286069854 427416019 /nfs/dbraw/zinc/41/60/19/427416019.db2.gz RUZBTZKWAAEJQF-IMHPKZGASA-N 1 2 310.419 2.887 20 5 DFBDLO COC[C@H]1CC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000293554147 427362848 /nfs/dbraw/zinc/36/28/48/427362848.db2.gz FIVRCLLZRHMMJR-CQSZACIVSA-N 1 2 319.386 2.939 20 5 DFBDLO COC[C@H]1CC[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000293554147 427362854 /nfs/dbraw/zinc/36/28/54/427362854.db2.gz FIVRCLLZRHMMJR-CQSZACIVSA-N 1 2 319.386 2.939 20 5 DFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@H]1CCC[C@H]1F ZINC000338840016 427514676 /nfs/dbraw/zinc/51/46/76/427514676.db2.gz CUGVRPHOUTVFLP-KGLIPLIRSA-N 1 2 323.368 2.730 20 5 DFBDLO COc1cccc(C[N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000338895435 427545338 /nfs/dbraw/zinc/54/53/38/427545338.db2.gz QOWBSSPWTGNZDI-UHFFFAOYSA-N 1 2 302.330 2.941 20 5 DFBDLO COc1cccc(C[N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000338895435 427545347 /nfs/dbraw/zinc/54/53/47/427545347.db2.gz QOWBSSPWTGNZDI-UHFFFAOYSA-N 1 2 302.330 2.941 20 5 DFBDLO C[C@@H]1SCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1C ZINC000332231258 427553706 /nfs/dbraw/zinc/55/37/06/427553706.db2.gz OLONMVZCBWMEDV-UWVGGRQHSA-N 1 2 306.391 2.797 20 5 DFBDLO C[C@@H]1SCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1C ZINC000332231258 427553711 /nfs/dbraw/zinc/55/37/11/427553711.db2.gz OLONMVZCBWMEDV-UWVGGRQHSA-N 1 2 306.391 2.797 20 5 DFBDLO C[N@H+](CCCC(=O)OC(C)(C)C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338999039 427616618 /nfs/dbraw/zinc/61/66/18/427616618.db2.gz ATPODNZTFIUOMP-UHFFFAOYSA-N 1 2 324.377 2.854 20 5 DFBDLO C[N@@H+](CCCC(=O)OC(C)(C)C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338999039 427616623 /nfs/dbraw/zinc/61/66/23/427616623.db2.gz ATPODNZTFIUOMP-UHFFFAOYSA-N 1 2 324.377 2.854 20 5 DFBDLO C[C@@](CO)([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000339003626 427619711 /nfs/dbraw/zinc/61/97/11/427619711.db2.gz KJEJNDYWCZGOMR-INIZCTEOSA-N 1 2 308.378 2.721 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000339037730 427640405 /nfs/dbraw/zinc/64/04/05/427640405.db2.gz UQQGYRCJBYMSNL-UHFFFAOYSA-N 1 2 300.314 2.564 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCc2ccc(O)cc2C1 ZINC000339037730 427640411 /nfs/dbraw/zinc/64/04/11/427640411.db2.gz UQQGYRCJBYMSNL-UHFFFAOYSA-N 1 2 300.314 2.564 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000339075484 427663262 /nfs/dbraw/zinc/66/32/62/427663262.db2.gz INODZSADMDKMGX-HNNXBMFYSA-N 1 2 306.362 2.691 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000339075484 427663267 /nfs/dbraw/zinc/66/32/67/427663267.db2.gz INODZSADMDKMGX-HNNXBMFYSA-N 1 2 306.362 2.691 20 5 DFBDLO CCOC(=O)C[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCC1 ZINC000342669315 272040027 /nfs/dbraw/zinc/04/00/27/272040027.db2.gz XXBRDRQJFOQTFB-UHFFFAOYSA-N 1 2 322.361 2.521 20 5 DFBDLO CCOC(=O)C[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCC1 ZINC000342669315 272040029 /nfs/dbraw/zinc/04/00/29/272040029.db2.gz XXBRDRQJFOQTFB-UHFFFAOYSA-N 1 2 322.361 2.521 20 5 DFBDLO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000343504764 272161573 /nfs/dbraw/zinc/16/15/73/272161573.db2.gz CGMPWTYQUBXMMR-MRXNPFEDSA-N 1 2 323.356 2.635 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H]1CCc2c1cccc2O ZINC000344279196 272303385 /nfs/dbraw/zinc/30/33/85/272303385.db2.gz ZMMDCUKERKMFEM-AWEZNQCLSA-N 1 2 300.314 2.783 20 5 DFBDLO COC(=O)c1coc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000344874792 272380298 /nfs/dbraw/zinc/38/02/98/272380298.db2.gz BTMCWCHQNSLKFW-UHFFFAOYSA-N 1 2 324.720 2.918 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000339153919 427707358 /nfs/dbraw/zinc/70/73/58/427707358.db2.gz IPQRTPYERKAYEQ-DJIMGWMZSA-N 1 2 320.389 2.816 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000339153919 427707361 /nfs/dbraw/zinc/70/73/61/427707361.db2.gz IPQRTPYERKAYEQ-DJIMGWMZSA-N 1 2 320.389 2.816 20 5 DFBDLO COCC1=CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000185857651 427720043 /nfs/dbraw/zinc/72/00/43/427720043.db2.gz FWYATMLTUGKZRB-UHFFFAOYSA-N 1 2 303.318 2.515 20 5 DFBDLO COCC1=CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000185857651 427720049 /nfs/dbraw/zinc/72/00/49/427720049.db2.gz FWYATMLTUGKZRB-UHFFFAOYSA-N 1 2 303.318 2.515 20 5 DFBDLO O=[N+]([O-])c1c(F)cccc1NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000301093101 427774879 /nfs/dbraw/zinc/77/48/79/427774879.db2.gz LXIUEFQRRSCWHJ-UHFFFAOYSA-N 1 2 313.292 2.927 20 5 DFBDLO C[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCOC[C@@H]1C ZINC000301267935 427785821 /nfs/dbraw/zinc/78/58/21/427785821.db2.gz WRFFXAPZNFRZCA-MNOVXSKESA-N 1 2 313.785 2.769 20 5 DFBDLO C[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCOC[C@@H]1C ZINC000301267935 427785824 /nfs/dbraw/zinc/78/58/24/427785824.db2.gz WRFFXAPZNFRZCA-MNOVXSKESA-N 1 2 313.785 2.769 20 5 DFBDLO O=[N+]([O-])c1ccccc1CCNc1cc(NCC2CC2)[nH+]cn1 ZINC000301805319 427826042 /nfs/dbraw/zinc/82/60/42/427826042.db2.gz BLDOWOFNDLKBJM-UHFFFAOYSA-N 1 2 313.361 2.861 20 5 DFBDLO O=[N+]([O-])c1ccccc1CCNc1cc(NCC2CC2)nc[nH+]1 ZINC000301805319 427826044 /nfs/dbraw/zinc/82/60/44/427826044.db2.gz BLDOWOFNDLKBJM-UHFFFAOYSA-N 1 2 313.361 2.861 20 5 DFBDLO Cc1ccc(Cc2nc(Cc3ccccc3[N+](=O)[O-])no2)c[nH+]1 ZINC000355669346 427843087 /nfs/dbraw/zinc/84/30/87/427843087.db2.gz KMDKLYGVJAZPOC-UHFFFAOYSA-N 1 2 310.313 2.863 20 5 DFBDLO Cc1cccc(N2CCN(C3=[NH+]C[C@H](C)S3)CC2)c1[N+](=O)[O-] ZINC000302508319 427853547 /nfs/dbraw/zinc/85/35/47/427853547.db2.gz RKKAHLNUVFPUDY-LBPRGKRZSA-N 1 2 320.418 2.517 20 5 DFBDLO O=[N+]([O-])c1ccc(F)cc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000302787179 427871409 /nfs/dbraw/zinc/87/14/09/427871409.db2.gz AAMVHIZNRKOFHP-GFCCVEGCSA-N 1 2 302.309 2.820 20 5 DFBDLO Nc1ccc(CNc2ccc(Br)cc2[N+](=O)[O-])c[nH+]1 ZINC000302789192 427871859 /nfs/dbraw/zinc/87/18/59/427871859.db2.gz XUOBZOBJCAVMND-UHFFFAOYSA-N 1 2 323.150 2.947 20 5 DFBDLO CC[C@@H](NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000359807563 428026559 /nfs/dbraw/zinc/02/65/59/428026559.db2.gz RIWRDVMTXASNIQ-LLVKDONJSA-N 1 2 318.333 2.516 20 5 DFBDLO CCc1nc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cs1 ZINC000369693101 428036815 /nfs/dbraw/zinc/03/68/15/428036815.db2.gz MSXNDFJEUROOKL-UHFFFAOYSA-N 1 2 321.406 2.647 20 5 DFBDLO C[NH+](C)Cc1ccsc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000356294491 428109850 /nfs/dbraw/zinc/10/98/50/428109850.db2.gz NMHVAVICNZZNHG-UHFFFAOYSA-N 1 2 321.358 2.676 20 5 DFBDLO CN(Cc1ccc(N)[nH+]c1)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352355537 428132780 /nfs/dbraw/zinc/13/27/80/428132780.db2.gz IEVRXPOKBFPLLI-UHFFFAOYSA-N 1 2 309.329 2.757 20 5 DFBDLO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(F)cc1Cl ZINC000341844207 428228504 /nfs/dbraw/zinc/22/85/04/428228504.db2.gz UNINNKYVKZKOBX-MRVPVSSYSA-N 1 2 312.732 2.972 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCOc1ccccc1)CCO2 ZINC000352680115 428200481 /nfs/dbraw/zinc/20/04/81/428200481.db2.gz SRPKKGVALGQTOZ-UHFFFAOYSA-N 1 2 314.341 2.868 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCOc1ccccc1)CCO2 ZINC000352680115 428200485 /nfs/dbraw/zinc/20/04/85/428200485.db2.gz SRPKKGVALGQTOZ-UHFFFAOYSA-N 1 2 314.341 2.868 20 5 DFBDLO COc1cc[nH+]cc1NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000346709010 428285523 /nfs/dbraw/zinc/28/55/23/428285523.db2.gz XBDCXCAAIAOEAC-UHFFFAOYSA-N 1 2 319.342 2.973 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(NCc2[nH+]ccn2CC(F)(F)F)n1 ZINC000360668734 428392468 /nfs/dbraw/zinc/39/24/68/428392468.db2.gz KBGKSVBDNKCXJP-UHFFFAOYSA-N 1 2 315.255 2.669 20 5 DFBDLO CCc1nn(C)c(Sc2[nH+]cc3ccccn32)c1[N+](=O)[O-] ZINC000360843532 428459947 /nfs/dbraw/zinc/45/99/47/428459947.db2.gz YOABCTTYFAXPMZ-UHFFFAOYSA-N 1 2 303.347 2.690 20 5 DFBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378514847 428417404 /nfs/dbraw/zinc/41/74/04/428417404.db2.gz CBKVCFYUKOTPPC-CQSZACIVSA-N 1 2 314.345 2.614 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H](COC(C)C)C1 ZINC000373489527 428591843 /nfs/dbraw/zinc/59/18/43/428591843.db2.gz LRFZOZYEDAUDJP-MRXNPFEDSA-N 1 2 308.378 2.529 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H](COC(C)C)C1 ZINC000373489527 428591845 /nfs/dbraw/zinc/59/18/45/428591845.db2.gz LRFZOZYEDAUDJP-MRXNPFEDSA-N 1 2 308.378 2.529 20 5 DFBDLO Cc1noc([C@@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000353572924 428600192 /nfs/dbraw/zinc/60/01/92/428600192.db2.gz JPWJPIQUBHUVRJ-AWEZNQCLSA-N 1 2 302.334 2.932 20 5 DFBDLO Cc1noc([C@@H]2CCC[N@H+]2Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000353572924 428600196 /nfs/dbraw/zinc/60/01/96/428600196.db2.gz JPWJPIQUBHUVRJ-AWEZNQCLSA-N 1 2 302.334 2.932 20 5 DFBDLO CC(C)n1cc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000353590157 428610068 /nfs/dbraw/zinc/61/00/68/428610068.db2.gz STCNDOAXHLNKAQ-UHFFFAOYSA-N 1 2 300.362 2.931 20 5 DFBDLO CC(C)n1cc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC000353590157 428610071 /nfs/dbraw/zinc/61/00/71/428610071.db2.gz STCNDOAXHLNKAQ-UHFFFAOYSA-N 1 2 300.362 2.931 20 5 DFBDLO CC(C)[NH+](CCCNC(=O)c1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC000353705254 428667885 /nfs/dbraw/zinc/66/78/85/428667885.db2.gz NXQHRXRIVPEACI-UHFFFAOYSA-N 1 2 323.393 2.539 20 5 DFBDLO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)[C@@H]2C1 ZINC000374858083 428765311 /nfs/dbraw/zinc/76/53/11/428765311.db2.gz BYOOMIPCXPLMTM-WQVCFCJDSA-N 1 2 324.352 2.502 20 5 DFBDLO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)[C@@H]2C1 ZINC000374858083 428765317 /nfs/dbraw/zinc/76/53/17/428765317.db2.gz BYOOMIPCXPLMTM-WQVCFCJDSA-N 1 2 324.352 2.502 20 5 DFBDLO O=C(CC[N@@H+]1CCC[C@@H]1C(F)F)Nc1ccc([N+](=O)[O-])cc1 ZINC000411730602 428850914 /nfs/dbraw/zinc/85/09/14/428850914.db2.gz YNZUFRQJCHAKKA-GFCCVEGCSA-N 1 2 313.304 2.653 20 5 DFBDLO O=C(CC[N@H+]1CCC[C@@H]1C(F)F)Nc1ccc([N+](=O)[O-])cc1 ZINC000411730602 428850918 /nfs/dbraw/zinc/85/09/18/428850918.db2.gz YNZUFRQJCHAKKA-GFCCVEGCSA-N 1 2 313.304 2.653 20 5 DFBDLO COc1cc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)c([N+](=O)[O-])cc1F ZINC000375126950 428806282 /nfs/dbraw/zinc/80/62/82/428806282.db2.gz QPQCCCJWJWZVBA-GFCCVEGCSA-N 1 2 320.324 2.803 20 5 DFBDLO COc1cc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000411840239 428864913 /nfs/dbraw/zinc/86/49/13/428864913.db2.gz DVSZHUUQXJTXBI-MRXNPFEDSA-N 1 2 306.362 2.604 20 5 DFBDLO COc1cc(C[N@H+]2CCO[C@@H](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000411840239 428864921 /nfs/dbraw/zinc/86/49/21/428864921.db2.gz DVSZHUUQXJTXBI-MRXNPFEDSA-N 1 2 306.362 2.604 20 5 DFBDLO Cn1ncc2c1CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000411849117 428869641 /nfs/dbraw/zinc/86/96/41/428869641.db2.gz IQEBIMOICJUBPL-UHFFFAOYSA-N 1 2 320.780 2.930 20 5 DFBDLO Cn1ncc2c1CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000411849117 428869650 /nfs/dbraw/zinc/86/96/50/428869650.db2.gz IQEBIMOICJUBPL-UHFFFAOYSA-N 1 2 320.780 2.930 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411882752 428875305 /nfs/dbraw/zinc/87/53/05/428875305.db2.gz YSCIELAUHYSNTR-KRWDZBQOSA-N 1 2 320.389 2.994 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000411882752 428875311 /nfs/dbraw/zinc/87/53/11/428875311.db2.gz YSCIELAUHYSNTR-KRWDZBQOSA-N 1 2 320.389 2.994 20 5 DFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000433036477 428983985 /nfs/dbraw/zinc/98/39/85/428983985.db2.gz VQCONSDHCVPJJN-FNMLPVNZSA-N 1 2 322.430 2.841 20 5 DFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000433036477 428983997 /nfs/dbraw/zinc/98/39/97/428983997.db2.gz VQCONSDHCVPJJN-FNMLPVNZSA-N 1 2 322.430 2.841 20 5 DFBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413093109 429135936 /nfs/dbraw/zinc/13/59/36/429135936.db2.gz NLOLQEBPHRLSBA-QMMMGPOBSA-N 1 2 315.255 2.706 20 5 DFBDLO Cc1cc(C2=CC[N@H+](Cc3ccon3)CC2)cc([N+](=O)[O-])c1N ZINC000364352582 429189909 /nfs/dbraw/zinc/18/99/09/429189909.db2.gz CNJFUPAMCAYNKV-UHFFFAOYSA-N 1 2 314.345 2.763 20 5 DFBDLO Cc1cc(C2=CC[N@@H+](Cc3ccon3)CC2)cc([N+](=O)[O-])c1N ZINC000364352582 429189912 /nfs/dbraw/zinc/18/99/12/429189912.db2.gz CNJFUPAMCAYNKV-UHFFFAOYSA-N 1 2 314.345 2.763 20 5 DFBDLO Cc1cc(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)ccc1[N+](=O)[O-] ZINC000456350004 429284191 /nfs/dbraw/zinc/28/41/91/429284191.db2.gz HRZSHIPPZAFATH-CMPLNLGQSA-N 1 2 300.318 2.536 20 5 DFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000456391082 429295759 /nfs/dbraw/zinc/29/57/59/429295759.db2.gz PCAAFONCZWTKCG-NSHDSACASA-N 1 2 302.334 2.611 20 5 DFBDLO Cc1cc(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)cc([N+](=O)[O-])c1 ZINC000456399428 429298241 /nfs/dbraw/zinc/29/82/41/429298241.db2.gz UUAMILLJSKNSNC-ZWNOBZJWSA-N 1 2 300.318 2.536 20 5 DFBDLO C[C@@H]1C[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456437765 429307618 /nfs/dbraw/zinc/30/76/18/429307618.db2.gz XCFLTXCHTXLFBT-RISCZKNCSA-N 1 2 314.345 2.546 20 5 DFBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1ncc([N+](=O)[O-])cc1Cl ZINC000365407128 429313884 /nfs/dbraw/zinc/31/38/84/429313884.db2.gz UULWREQTLGWHGB-UHFFFAOYSA-N 1 2 321.768 2.812 20 5 DFBDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000449524491 429443172 /nfs/dbraw/zinc/44/31/72/429443172.db2.gz OGVXDDYUUNMBQW-UHFFFAOYSA-N 1 2 314.341 2.998 20 5 DFBDLO COc1ccc2c(c1)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000449524491 429443176 /nfs/dbraw/zinc/44/31/76/429443176.db2.gz OGVXDDYUUNMBQW-UHFFFAOYSA-N 1 2 314.341 2.998 20 5 DFBDLO CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC000449509861 429437791 /nfs/dbraw/zinc/43/77/91/429437791.db2.gz JWXCOQPJXXYWJV-ZBFHGGJFSA-N 1 2 310.394 2.679 20 5 DFBDLO COC(=O)[C@H](CC(C)C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000430198060 429661451 /nfs/dbraw/zinc/66/14/51/429661451.db2.gz XJKIIXALLMHEKB-HNNXBMFYSA-N 1 2 308.378 2.923 20 5 DFBDLO COC(=O)[C@H](CC(C)C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000430198060 429661454 /nfs/dbraw/zinc/66/14/54/429661454.db2.gz XJKIIXALLMHEKB-HNNXBMFYSA-N 1 2 308.378 2.923 20 5 DFBDLO COC(=O)c1csc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000450689615 429677553 /nfs/dbraw/zinc/67/75/53/429677553.db2.gz SQTNCBGXXUQJOJ-VIFPVBQESA-N 1 2 321.358 2.689 20 5 DFBDLO C[C@H]1C[C@H](Nc2c3ccccc3ncc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450817852 429706184 /nfs/dbraw/zinc/70/61/84/429706184.db2.gz GRNMCGXYYRXEBS-GWCFXTLKSA-N 1 2 309.329 2.879 20 5 DFBDLO C[C@@H]1C[C@@H](Nc2c3ccccc3ncc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450817860 429706609 /nfs/dbraw/zinc/70/66/09/429706609.db2.gz GRNMCGXYYRXEBS-ZWNOBZJWSA-N 1 2 309.329 2.879 20 5 DFBDLO CCn1cc[nH+]c1[C@H](C)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000450832922 429710356 /nfs/dbraw/zinc/71/03/56/429710356.db2.gz RYUYBZLUVGKFNR-NSHDSACASA-N 1 2 311.345 3.533 20 5 DFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000493242873 429719457 /nfs/dbraw/zinc/71/94/57/429719457.db2.gz WAXHVGDHZXWQNM-UVMWJGKXSA-N 1 2 314.345 2.702 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000367866476 429733343 /nfs/dbraw/zinc/73/33/43/429733343.db2.gz UBCKGUQYRMEYAX-LBPRGKRZSA-N 1 2 306.391 2.973 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000367866476 429733348 /nfs/dbraw/zinc/73/33/48/429733348.db2.gz UBCKGUQYRMEYAX-LBPRGKRZSA-N 1 2 306.391 2.973 20 5 DFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](F)C1 ZINC000451200812 429786764 /nfs/dbraw/zinc/78/67/64/429786764.db2.gz TZTXWXVSGIFXOW-KOLCDFICSA-N 1 2 306.297 2.750 20 5 DFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](F)C1 ZINC000451200812 429786767 /nfs/dbraw/zinc/78/67/67/429786767.db2.gz TZTXWXVSGIFXOW-KOLCDFICSA-N 1 2 306.297 2.750 20 5 DFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](F)C1 ZINC000451200813 429787768 /nfs/dbraw/zinc/78/77/68/429787768.db2.gz TZTXWXVSGIFXOW-MWLCHTKSSA-N 1 2 306.297 2.750 20 5 DFBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](F)C1 ZINC000451200813 429787772 /nfs/dbraw/zinc/78/77/72/429787772.db2.gz TZTXWXVSGIFXOW-MWLCHTKSSA-N 1 2 306.297 2.750 20 5 DFBDLO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2nccc(N)n2)cc1[N+](=O)[O-] ZINC000577572704 430115018 /nfs/dbraw/zinc/11/50/18/430115018.db2.gz DVJFOLIKQUHMNG-MNOVXSKESA-N 1 2 301.350 2.687 20 5 DFBDLO Cc1c[nH]c(C(C)(C)NC(=O)c2cccc([N+](=O)[O-])c2C)[nH+]1 ZINC000569492316 430460985 /nfs/dbraw/zinc/46/09/85/430460985.db2.gz DBGBZMNSNNEPIS-UHFFFAOYSA-N 1 2 302.334 2.600 20 5 DFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000548603373 430485399 /nfs/dbraw/zinc/48/53/99/430485399.db2.gz WEKADZFRJYKGAB-QGZVFWFLSA-N 1 2 320.389 2.993 20 5 DFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000548603373 430485406 /nfs/dbraw/zinc/48/54/06/430485406.db2.gz WEKADZFRJYKGAB-QGZVFWFLSA-N 1 2 320.389 2.993 20 5 DFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@@H](C)[C@H]1C ZINC000293006545 278157278 /nfs/dbraw/zinc/15/72/78/278157278.db2.gz NNXVCSXYHFMORL-OPRDCNLKSA-N 1 2 311.769 2.915 20 5 DFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@@H](C)[C@H]1C ZINC000293006545 278157279 /nfs/dbraw/zinc/15/72/79/278157279.db2.gz NNXVCSXYHFMORL-OPRDCNLKSA-N 1 2 311.769 2.915 20 5 DFBDLO CCN1CCN(c2cc(C)ccc2[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000359996290 279373419 /nfs/dbraw/zinc/37/34/19/279373419.db2.gz WBIWXHBLRRALKT-OAHLLOKOSA-N 1 2 315.377 2.510 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c(F)c1 ZINC000267008272 280363655 /nfs/dbraw/zinc/36/36/55/280363655.db2.gz GPGWAWCQJFZHFD-RYUDHWBXSA-N 1 2 322.258 2.622 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c(F)c1 ZINC000267008272 280363657 /nfs/dbraw/zinc/36/36/57/280363657.db2.gz GPGWAWCQJFZHFD-RYUDHWBXSA-N 1 2 322.258 2.622 20 5 DFBDLO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ncnn1C ZINC000279183709 290000803 /nfs/dbraw/zinc/00/08/03/290000803.db2.gz VUBMLFCDYVMYGK-IINYFYTJSA-N 1 2 315.377 2.797 20 5 DFBDLO COCC[N@H+](Cc1cncs1)Cc1cccc([N+](=O)[O-])c1 ZINC000447834104 297319515 /nfs/dbraw/zinc/31/95/15/297319515.db2.gz QERRLPYVCMXPMN-UHFFFAOYSA-N 1 2 307.375 2.700 20 5 DFBDLO COCC[N@@H+](Cc1cncs1)Cc1cccc([N+](=O)[O-])c1 ZINC000447834104 297319516 /nfs/dbraw/zinc/31/95/16/297319516.db2.gz QERRLPYVCMXPMN-UHFFFAOYSA-N 1 2 307.375 2.700 20 5 DFBDLO CCC(C)(C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448644524 297352076 /nfs/dbraw/zinc/35/20/76/297352076.db2.gz NSMGOAYFNMIOSZ-UHFFFAOYSA-N 1 2 302.334 2.699 20 5 DFBDLO CC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448780654 297367476 /nfs/dbraw/zinc/36/74/76/297367476.db2.gz FGNCWVSGHSYVDS-UHFFFAOYSA-N 1 2 302.334 2.556 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cnc(CC)o1 ZINC000449608229 297498993 /nfs/dbraw/zinc/49/89/93/297498993.db2.gz GBLCRQIQPZPTFO-UHFFFAOYSA-N 1 2 305.334 2.834 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000450535696 297640565 /nfs/dbraw/zinc/64/05/65/297640565.db2.gz PEQLWNPNZQOMKT-HAQNSBGRSA-N 1 2 316.365 2.559 20 5 DFBDLO Cc1cc(N2CC[C@H](F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450595162 297652626 /nfs/dbraw/zinc/65/26/26/297652626.db2.gz DWVBBAKKLHMLKY-LBPRGKRZSA-N 1 2 302.309 2.908 20 5 DFBDLO C[C@@H]1Cc2c([nH+]cn2Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000451337748 297790812 /nfs/dbraw/zinc/79/08/12/297790812.db2.gz GPQARQSWBATIMZ-WDEREUQCSA-N 1 2 301.346 2.916 20 5 DFBDLO C[C@@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000454339132 298158441 /nfs/dbraw/zinc/15/84/41/298158441.db2.gz XKOXHMHIKMOEJE-BXKDBHETSA-N 1 2 301.306 2.619 20 5 DFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000455331231 298340399 /nfs/dbraw/zinc/34/03/99/298340399.db2.gz KOUQDZZEBNNZFN-VIFPVBQESA-N 1 2 321.312 2.833 20 5 DFBDLO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2[nH+]ccn21 ZINC000456374626 298511024 /nfs/dbraw/zinc/51/10/24/298511024.db2.gz JQRJIGSUMHRNBY-PRHODGIISA-N 1 2 320.736 2.881 20 5 DFBDLO Cn1cc(C[NH2+]CC(C)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000549863862 301642221 /nfs/dbraw/zinc/64/22/21/301642221.db2.gz HNKJXAYXLFMFEY-UHFFFAOYSA-N 1 2 310.304 2.740 20 5 DFBDLO Cc1ccc([C@H](C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1[N+](=O)[O-] ZINC000565184709 302203466 /nfs/dbraw/zinc/20/34/66/302203466.db2.gz BUMUIPMZQCZYLB-NEPJUHHUSA-N 1 2 316.361 2.682 20 5 DFBDLO Cc1ccc([C@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000565184709 302203469 /nfs/dbraw/zinc/20/34/69/302203469.db2.gz BUMUIPMZQCZYLB-NEPJUHHUSA-N 1 2 316.361 2.682 20 5 DFBDLO CC(C)(C)c1nnc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])[nH]1 ZINC000565218339 302208759 /nfs/dbraw/zinc/20/87/59/302208759.db2.gz NJOJHOZXHCVPTA-GFCCVEGCSA-N 1 2 315.377 2.788 20 5 DFBDLO C[C@@H](CNc1nc2c(cc1[N+](=O)[O-])CCCC2)Cn1cc[nH+]c1 ZINC000567751441 302386566 /nfs/dbraw/zinc/38/65/66/302386566.db2.gz CEYCERCAKHUQDZ-LBPRGKRZSA-N 1 2 315.377 2.813 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2[nH+]ccn2c1 ZINC000170859463 315900636 /nfs/dbraw/zinc/90/06/36/315900636.db2.gz DUFQPPQWUQHEAQ-UHFFFAOYSA-N 1 2 312.285 2.503 20 5 DFBDLO CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)cc1C)c1[nH]cc[nH+]1 ZINC000421859914 316775646 /nfs/dbraw/zinc/77/56/46/316775646.db2.gz GDHVQOIRQLLNRG-GFCCVEGCSA-N 1 2 302.334 2.816 20 5 DFBDLO CCOC(=O)[C@H]1CCC[N@@H+]1[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449247199 317031898 /nfs/dbraw/zinc/03/18/98/317031898.db2.gz FVODUADFCQEXLK-IUODEOHRSA-N 1 2 306.362 2.553 20 5 DFBDLO CCOC(=O)[C@H]1CCC[N@H+]1[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449247199 317031900 /nfs/dbraw/zinc/03/19/00/317031900.db2.gz FVODUADFCQEXLK-IUODEOHRSA-N 1 2 306.362 2.553 20 5 DFBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000573577895 318022000 /nfs/dbraw/zinc/02/20/00/318022000.db2.gz ZSIHOFRKSXGIAH-YPMHNXCESA-N 1 2 316.361 2.764 20 5 DFBDLO Cn1c[nH+]cc1CN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000574816352 318042195 /nfs/dbraw/zinc/04/21/95/318042195.db2.gz SJWFUBNFNPUYAQ-LBPRGKRZSA-N 1 2 314.267 2.722 20 5 DFBDLO CC(C)c1nnc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])[nH]1 ZINC000578379051 318257254 /nfs/dbraw/zinc/25/72/54/318257254.db2.gz XEKDGYSVWIIYCB-GFCCVEGCSA-N 1 2 301.350 2.613 20 5 DFBDLO C[C@@H](C(=O)NCc1ccn2cc[nH+]c2c1)c1cccc([N+](=O)[O-])c1 ZINC000579065540 318303913 /nfs/dbraw/zinc/30/39/13/318303913.db2.gz LAICRLXBXOVTSF-GFCCVEGCSA-N 1 2 324.340 2.662 20 5 DFBDLO CNc1ccc(C(=O)NCc2c[nH+]c(C)cc2C)cc1[N+](=O)[O-] ZINC000397103652 323354393 /nfs/dbraw/zinc/35/43/93/323354393.db2.gz NQWPVCJYNMRSRY-UHFFFAOYSA-N 1 2 314.345 2.578 20 5 DFBDLO CC[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000361525003 536152685 /nfs/dbraw/zinc/15/26/85/536152685.db2.gz MJWJCBOMTQMTNU-LRDDRELGSA-N 1 2 324.352 2.504 20 5 DFBDLO CC[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000361525003 536152687 /nfs/dbraw/zinc/15/26/87/536152687.db2.gz MJWJCBOMTQMTNU-LRDDRELGSA-N 1 2 324.352 2.504 20 5 DFBDLO Cc1[nH+]c2n(c1C)CCN(c1ccc([N+](=O)[O-])c3cnccc31)C2 ZINC000377497101 282096639 /nfs/dbraw/zinc/09/66/39/282096639.db2.gz STXVDTYFXUWJPJ-UHFFFAOYSA-N 1 2 323.356 2.977 20 5 DFBDLO O=C(CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)N1CCCCC1 ZINC000413057524 295672552 /nfs/dbraw/zinc/67/25/52/295672552.db2.gz YAOCMCHFEJPRIR-UHFFFAOYSA-N 1 2 314.345 2.567 20 5 DFBDLO CC(C)N1C[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000413107400 295676826 /nfs/dbraw/zinc/67/68/26/295676826.db2.gz KTKNNDHCZWZHLK-LBPRGKRZSA-N 1 2 314.345 2.564 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCSCCCO)c2c1 ZINC000413122278 295678040 /nfs/dbraw/zinc/67/80/40/295678040.db2.gz JFHKZSXOFVNVPZ-UHFFFAOYSA-N 1 2 307.375 2.671 20 5 DFBDLO C[C@@H](O)C1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413141518 295680084 /nfs/dbraw/zinc/68/00/84/295680084.db2.gz JRGCWCBAJPGOAW-LLVKDONJSA-N 1 2 301.346 2.740 20 5 DFBDLO Cc1cc(N2CCN(c3c[nH+]ccc3C)CC2)c([N+](=O)[O-])s1 ZINC000596220217 398360915 /nfs/dbraw/zinc/36/09/15/398360915.db2.gz LOWODPJGOKUIBV-UHFFFAOYSA-N 1 2 318.402 2.995 20 5 DFBDLO CCC(=O)N1CC[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413193055 295685054 /nfs/dbraw/zinc/68/50/54/295685054.db2.gz GXUSGNJCDAXXHI-LBPRGKRZSA-N 1 2 314.345 2.566 20 5 DFBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000010737198 398379262 /nfs/dbraw/zinc/37/92/62/398379262.db2.gz NZNOFHCDYAAXBP-UHFFFAOYSA-N 1 2 324.340 2.683 20 5 DFBDLO CN(C)c1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c[nH+]1 ZINC000023618937 398425253 /nfs/dbraw/zinc/42/52/53/398425253.db2.gz FOLVFZBGOUKFLH-UHFFFAOYSA-N 1 2 303.278 2.708 20 5 DFBDLO C[C@H](Nc1ncnc2sc([N+](=O)[O-])cc21)c1[nH+]ccn1C ZINC000596544120 398443980 /nfs/dbraw/zinc/44/39/80/398443980.db2.gz YSHSZPXOJQLPRD-ZETCQYMHSA-N 1 2 304.335 2.506 20 5 DFBDLO C[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc21)c1[nH+]ccn1C ZINC000596544119 398443986 /nfs/dbraw/zinc/44/39/86/398443986.db2.gz YSHSZPXOJQLPRD-SSDOTTSWSA-N 1 2 304.335 2.506 20 5 DFBDLO COCc1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)no1 ZINC000459476219 299116068 /nfs/dbraw/zinc/11/60/68/299116068.db2.gz HCBPWSCPZCXNRV-UHFFFAOYSA-N 1 2 305.334 2.754 20 5 DFBDLO CC(=O)c1ccc(NCc2cc[nH+]c(N(C)C)c2)c([N+](=O)[O-])c1 ZINC000030001140 398495009 /nfs/dbraw/zinc/49/50/09/398495009.db2.gz OTTDMXCQGVCJST-UHFFFAOYSA-N 1 2 314.345 2.871 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2cc3n(n2)CCC3)C2CC2)cc1 ZINC000593020638 398522494 /nfs/dbraw/zinc/52/24/94/398522494.db2.gz NWFGLPWYDSZIAW-UHFFFAOYSA-N 1 2 312.373 2.902 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cc3n(n2)CCC3)C2CC2)cc1 ZINC000593020638 398522496 /nfs/dbraw/zinc/52/24/96/398522496.db2.gz NWFGLPWYDSZIAW-UHFFFAOYSA-N 1 2 312.373 2.902 20 5 DFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(O)(C(F)F)CC2)c(Cl)c1 ZINC000331124604 232596488 /nfs/dbraw/zinc/59/64/88/232596488.db2.gz CSYQJRBFUQZDKX-UHFFFAOYSA-N 1 2 320.723 2.840 20 5 DFBDLO COc1ccc(-c2ccc(C[NH+]3CC(OC)C3)o2)c([N+](=O)[O-])c1 ZINC000459575811 299138476 /nfs/dbraw/zinc/13/84/76/299138476.db2.gz FIXDXZHNSDDGAF-UHFFFAOYSA-N 1 2 318.329 2.694 20 5 DFBDLO CC[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](CC)CO1 ZINC000593058333 398534107 /nfs/dbraw/zinc/53/41/07/398534107.db2.gz LQCHAHFLHXOHGG-AAEUAGOBSA-N 1 2 318.377 2.861 20 5 DFBDLO CC[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](CC)CO1 ZINC000593058333 398534109 /nfs/dbraw/zinc/53/41/09/398534109.db2.gz LQCHAHFLHXOHGG-AAEUAGOBSA-N 1 2 318.377 2.861 20 5 DFBDLO CCOc1cc(C[N@@H+]2C[C@@H](CC)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000593064105 398535766 /nfs/dbraw/zinc/53/57/66/398535766.db2.gz WYYKPYCZNSFFMG-TZMCWYRMSA-N 1 2 308.378 2.993 20 5 DFBDLO CCOc1cc(C[N@H+]2C[C@@H](CC)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000593064105 398535772 /nfs/dbraw/zinc/53/57/72/398535772.db2.gz WYYKPYCZNSFFMG-TZMCWYRMSA-N 1 2 308.378 2.993 20 5 DFBDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H](C)O2 ZINC000279755216 215117480 /nfs/dbraw/zinc/11/74/80/215117480.db2.gz LUMMYOLSLLUSHN-WQGACYEGSA-N 1 2 324.352 2.502 20 5 DFBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H](C)O2 ZINC000279755216 215117483 /nfs/dbraw/zinc/11/74/83/215117483.db2.gz LUMMYOLSLLUSHN-WQGACYEGSA-N 1 2 324.352 2.502 20 5 DFBDLO CCOc1cc(N(C)Cc2ccc(N)[nH+]c2)ccc1[N+](=O)[O-] ZINC000127121972 185918693 /nfs/dbraw/zinc/91/86/93/185918693.db2.gz VNRNBEBZMDHESX-UHFFFAOYSA-N 1 2 302.334 2.607 20 5 DFBDLO C[C@]1(C(F)F)C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000597253008 398608454 /nfs/dbraw/zinc/60/84/54/398608454.db2.gz WQYMSDDTQVYKCY-CSPWOOARSA-N 1 2 312.316 2.964 20 5 DFBDLO C[C@]1(C(F)F)C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000597253008 398608456 /nfs/dbraw/zinc/60/84/56/398608456.db2.gz WQYMSDDTQVYKCY-CSPWOOARSA-N 1 2 312.316 2.964 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC000459679887 299163837 /nfs/dbraw/zinc/16/38/37/299163837.db2.gz QBXLCGKVAIEUCQ-UHFFFAOYSA-N 1 2 303.366 2.609 20 5 DFBDLO Cc1ncc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)o1 ZINC000459679626 299163863 /nfs/dbraw/zinc/16/38/63/299163863.db2.gz UBHOTZSUKCDPOJ-UHFFFAOYSA-N 1 2 313.260 2.782 20 5 DFBDLO CN(C)c1ncc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)s1 ZINC000093443753 398637922 /nfs/dbraw/zinc/63/79/22/398637922.db2.gz XPVGYNLJZNJHFZ-UHFFFAOYSA-N 1 2 318.402 2.676 20 5 DFBDLO CN(C)c1ncc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)s1 ZINC000093443753 398637924 /nfs/dbraw/zinc/63/79/24/398637924.db2.gz XPVGYNLJZNJHFZ-UHFFFAOYSA-N 1 2 318.402 2.676 20 5 DFBDLO CC(C)C1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000590683374 398651149 /nfs/dbraw/zinc/65/11/49/398651149.db2.gz BEYBSHGWHPFBKC-UHFFFAOYSA-N 1 2 314.345 2.509 20 5 DFBDLO CC(C)c1nc(N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc[nH+]1 ZINC000302754573 186740977 /nfs/dbraw/zinc/74/09/77/186740977.db2.gz IEDCQJBFLGZIIO-UHFFFAOYSA-N 1 2 314.345 2.776 20 5 DFBDLO C[C@@H](C[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000459782150 299190845 /nfs/dbraw/zinc/19/08/45/299190845.db2.gz XSSLASUJLFIEED-NSHDSACASA-N 1 2 324.377 2.710 20 5 DFBDLO C[C@@H](C[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000459782150 299190846 /nfs/dbraw/zinc/19/08/46/299190846.db2.gz XSSLASUJLFIEED-NSHDSACASA-N 1 2 324.377 2.710 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000597667866 398677609 /nfs/dbraw/zinc/67/76/09/398677609.db2.gz UAXOLWXGHKYTPB-LLVKDONJSA-N 1 2 314.345 2.678 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000597667866 398677610 /nfs/dbraw/zinc/67/76/10/398677610.db2.gz UAXOLWXGHKYTPB-LLVKDONJSA-N 1 2 314.345 2.678 20 5 DFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459799345 299196456 /nfs/dbraw/zinc/19/64/56/299196456.db2.gz VMKDZTGVEBUMEB-LBPRGKRZSA-N 1 2 318.377 2.966 20 5 DFBDLO CC(=O)c1ccc(NCc2ccc(N(C)C)[nH+]c2)c([N+](=O)[O-])c1 ZINC000046484129 398709257 /nfs/dbraw/zinc/70/92/57/398709257.db2.gz ZDNCBYGEDPRFJX-UHFFFAOYSA-N 1 2 314.345 2.871 20 5 DFBDLO Cc1ccc(NC(=O)CNc2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000130559014 283052761 /nfs/dbraw/zinc/05/27/61/283052761.db2.gz JYKYOVYMSNCNJI-UHFFFAOYSA-N 1 2 300.318 2.657 20 5 DFBDLO CCn1cc[nH+]c1CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130909954 283065288 /nfs/dbraw/zinc/06/52/88/283065288.db2.gz QJCRTJGPLBDTQO-UHFFFAOYSA-N 1 2 300.362 2.976 20 5 DFBDLO O=c1[nH]ccc2c1C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC000276953512 213199905 /nfs/dbraw/zinc/19/99/05/213199905.db2.gz PAKCJSQZBDMFIU-UHFFFAOYSA-N 1 2 319.748 2.907 20 5 DFBDLO O=c1[nH]ccc2c1C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC000276953512 213199908 /nfs/dbraw/zinc/19/99/08/213199908.db2.gz PAKCJSQZBDMFIU-UHFFFAOYSA-N 1 2 319.748 2.907 20 5 DFBDLO CC1(C)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000081350459 192255048 /nfs/dbraw/zinc/25/50/48/192255048.db2.gz GARPJDBZKJWERI-UHFFFAOYSA-N 1 2 314.345 2.653 20 5 DFBDLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000081566320 192292920 /nfs/dbraw/zinc/29/29/20/192292920.db2.gz UGSGQINCBGRLOA-LBPRGKRZSA-N 1 2 308.378 2.799 20 5 DFBDLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000081566320 192292923 /nfs/dbraw/zinc/29/29/23/192292923.db2.gz UGSGQINCBGRLOA-LBPRGKRZSA-N 1 2 308.378 2.799 20 5 DFBDLO CC1(C)C[C@]1(C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000598388484 398804714 /nfs/dbraw/zinc/80/47/14/398804714.db2.gz YPWBESCJIVKOLN-INIZCTEOSA-N 1 2 314.345 2.699 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075533889 398808575 /nfs/dbraw/zinc/80/85/75/398808575.db2.gz AJRFWITXWZAERA-LBPRGKRZSA-N 1 2 314.345 2.646 20 5 DFBDLO Cc1noc(C)c1C[NH+]1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000050931503 398814484 /nfs/dbraw/zinc/81/44/84/398814484.db2.gz RMMRMIWJUIYCJX-UHFFFAOYSA-N 1 2 322.390 2.583 20 5 DFBDLO Cc1cc([NH+]2CCCC2)ccc1Nc1c([N+](=O)[O-])ncn1C ZINC000052713137 398849790 /nfs/dbraw/zinc/84/97/90/398849790.db2.gz DHGRWOZYWAEPPI-UHFFFAOYSA-N 1 2 301.350 2.981 20 5 DFBDLO Cc1c[nH]c(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000594940170 398877930 /nfs/dbraw/zinc/87/79/30/398877930.db2.gz WIFSDFOLBMFURZ-UHFFFAOYSA-N 1 2 314.267 2.935 20 5 DFBDLO C[C@H]([NH2+]Cc1cn(C(C)(C)C)nn1)c1ccccc1[N+](=O)[O-] ZINC000276622322 213006134 /nfs/dbraw/zinc/00/61/34/213006134.db2.gz LTIRAPNRXNYSQY-NSHDSACASA-N 1 2 303.366 2.792 20 5 DFBDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCN1CC(F)F ZINC000153430702 283367906 /nfs/dbraw/zinc/36/79/06/283367906.db2.gz BQIRPIBGARGSDY-ZDUSSCGKSA-N 1 2 313.348 2.756 20 5 DFBDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCN1CC(F)F ZINC000153430702 283367908 /nfs/dbraw/zinc/36/79/08/283367908.db2.gz BQIRPIBGARGSDY-ZDUSSCGKSA-N 1 2 313.348 2.756 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc(F)cn1 ZINC000595016397 398892395 /nfs/dbraw/zinc/89/23/95/398892395.db2.gz JZGCDKWJMLGKTM-SNVBAGLBSA-N 1 2 305.309 2.988 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](CCO)c1ccco1 ZINC000595031706 398895102 /nfs/dbraw/zinc/89/51/02/398895102.db2.gz BWNIXHQUXIGLGA-BXUZGUMPSA-N 1 2 320.345 2.971 20 5 DFBDLO C[C@H]1[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000407993907 291179892 /nfs/dbraw/zinc/17/98/92/291179892.db2.gz WAKIXMYQSXNNFQ-GFCCVEGCSA-N 1 2 306.362 2.691 20 5 DFBDLO C[C@H]1[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000407993907 291179894 /nfs/dbraw/zinc/17/98/94/291179894.db2.gz WAKIXMYQSXNNFQ-GFCCVEGCSA-N 1 2 306.362 2.691 20 5 DFBDLO COCCOCCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599019008 398907994 /nfs/dbraw/zinc/90/79/94/398907994.db2.gz ANCRBJXDIANHTM-UHFFFAOYSA-N 1 2 305.334 2.608 20 5 DFBDLO Cn1cc(CCCNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])cn1 ZINC000599038388 398910967 /nfs/dbraw/zinc/91/09/67/398910967.db2.gz PSMDOMBYISEIEH-UHFFFAOYSA-N 1 2 311.345 2.921 20 5 DFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@H](n2cccn2)C1 ZINC000599083952 398918947 /nfs/dbraw/zinc/91/89/47/398918947.db2.gz YPSWAFUSLOALGR-ZDUSSCGKSA-N 1 2 309.329 2.791 20 5 DFBDLO CC[C@@H](CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])C(=O)OC ZINC000599093963 398920282 /nfs/dbraw/zinc/92/02/82/398920282.db2.gz CFMYLZLLBAJWJT-JTQLQIEISA-N 1 2 303.318 2.754 20 5 DFBDLO C[C@H]1CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C[C@H](C)C1O ZINC000599106200 398922232 /nfs/dbraw/zinc/92/22/32/398922232.db2.gz AXBLGBZVHFVKNG-QWRGUYRKSA-N 1 2 301.346 2.596 20 5 DFBDLO Cc1noc(C[N@@H+]2CCOC3(C2)CCCCCC3)c1[N+](=O)[O-] ZINC000595345868 398925070 /nfs/dbraw/zinc/92/50/70/398925070.db2.gz CIIVMFGQXWYKBH-UHFFFAOYSA-N 1 2 309.366 2.816 20 5 DFBDLO Cc1noc(C[N@H+]2CCOC3(C2)CCCCCC3)c1[N+](=O)[O-] ZINC000595345868 398925071 /nfs/dbraw/zinc/92/50/71/398925071.db2.gz CIIVMFGQXWYKBH-UHFFFAOYSA-N 1 2 309.366 2.816 20 5 DFBDLO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])c1 ZINC000595411479 398933564 /nfs/dbraw/zinc/93/35/64/398933564.db2.gz QXABATOXPJXICY-SECBINFHSA-N 1 2 318.333 2.700 20 5 DFBDLO CC[C@@H](CO)[N@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1ccccc1 ZINC000595425726 398936260 /nfs/dbraw/zinc/93/62/60/398936260.db2.gz LUQMEQSFSSUFFD-AWEZNQCLSA-N 1 2 319.361 2.664 20 5 DFBDLO CC[C@@H](CO)[N@@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1ccccc1 ZINC000595425726 398936261 /nfs/dbraw/zinc/93/62/61/398936261.db2.gz LUQMEQSFSSUFFD-AWEZNQCLSA-N 1 2 319.361 2.664 20 5 DFBDLO COc1ccccc1[C@@H](CO)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595430436 398936795 /nfs/dbraw/zinc/93/67/95/398936795.db2.gz MUNKZPUTFBTWSB-CQSZACIVSA-N 1 2 320.320 2.566 20 5 DFBDLO Cc1cnc([C@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])C2CC2)s1 ZINC000595432630 398937414 /nfs/dbraw/zinc/93/74/14/398937414.db2.gz TVAWWULMYDMYJH-LLVKDONJSA-N 1 2 308.363 2.897 20 5 DFBDLO C[C@@H]([NH2+]Cc1csc(N(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000157003886 398952876 /nfs/dbraw/zinc/95/28/76/398952876.db2.gz BIMYJZZNPDQVBS-SNVBAGLBSA-N 1 2 306.391 2.968 20 5 DFBDLO Cc1cc(N(C)CC[C@H](C)O)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000078416530 398955122 /nfs/dbraw/zinc/95/51/22/398955122.db2.gz RYGFFZGQOYSJOE-LBPRGKRZSA-N 1 2 316.361 2.567 20 5 DFBDLO C[C@H](Nc1c([N+](=O)[O-])ncn1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000078569412 398967840 /nfs/dbraw/zinc/96/78/40/398967840.db2.gz QYTMYSDHBCZLOU-NSHDSACASA-N 1 2 312.333 2.687 20 5 DFBDLO CCOC[C@H]1C[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCO1 ZINC000600201108 399001962 /nfs/dbraw/zinc/00/19/62/399001962.db2.gz CKMKZSKIDIZVJF-CRPZLVSXSA-N 1 2 320.389 2.735 20 5 DFBDLO CCOC[C@H]1C[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCO1 ZINC000600201108 399001963 /nfs/dbraw/zinc/00/19/63/399001963.db2.gz CKMKZSKIDIZVJF-CRPZLVSXSA-N 1 2 320.389 2.735 20 5 DFBDLO CCOC[C@@H]1C[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000600201446 399001980 /nfs/dbraw/zinc/00/19/80/399001980.db2.gz LZWKTHLCKWSKHR-HNNXBMFYSA-N 1 2 322.405 2.956 20 5 DFBDLO CCOC[C@@H]1C[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000600201446 399001981 /nfs/dbraw/zinc/00/19/81/399001981.db2.gz LZWKTHLCKWSKHR-HNNXBMFYSA-N 1 2 322.405 2.956 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595617242 399002304 /nfs/dbraw/zinc/00/23/04/399002304.db2.gz HHOAXZRCMJEOBR-KRWDZBQOSA-N 1 2 320.389 2.994 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595617242 399002307 /nfs/dbraw/zinc/00/23/07/399002307.db2.gz HHOAXZRCMJEOBR-KRWDZBQOSA-N 1 2 320.389 2.994 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1cscn1 ZINC000595669567 399028089 /nfs/dbraw/zinc/02/80/89/399028089.db2.gz WTJDDYDGBMKCHJ-SNVBAGLBSA-N 1 2 320.374 2.649 20 5 DFBDLO O=c1ccc([C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000599642978 399040069 /nfs/dbraw/zinc/04/00/69/399040069.db2.gz YHPDJCXKEIZOBT-CQSZACIVSA-N 1 2 318.308 2.567 20 5 DFBDLO O=c1ccc([C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000599642978 399040074 /nfs/dbraw/zinc/04/00/74/399040074.db2.gz YHPDJCXKEIZOBT-CQSZACIVSA-N 1 2 318.308 2.567 20 5 DFBDLO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000599707508 399072760 /nfs/dbraw/zinc/07/27/60/399072760.db2.gz NAJBDQFKVXZOCS-PEGIJTEDSA-N 1 2 312.391 2.818 20 5 DFBDLO COC(=O)[C@@H]1C[C@@H](C)[N@H+](Cc2csc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000599707508 399072766 /nfs/dbraw/zinc/07/27/66/399072766.db2.gz NAJBDQFKVXZOCS-PEGIJTEDSA-N 1 2 312.391 2.818 20 5 DFBDLO Cc1cc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000299542635 284026395 /nfs/dbraw/zinc/02/63/95/284026395.db2.gz PFZKYLFFTJQICH-UHFFFAOYSA-N 1 2 314.345 2.646 20 5 DFBDLO O=C(C[N@@H+]1CC[C@H]2C[C@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595810682 399094324 /nfs/dbraw/zinc/09/43/24/399094324.db2.gz MNDLKALSXUXSNY-UWVGGRQHSA-N 1 2 309.753 2.529 20 5 DFBDLO O=C(C[N@H+]1CC[C@H]2C[C@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595810682 399094331 /nfs/dbraw/zinc/09/43/31/399094331.db2.gz MNDLKALSXUXSNY-UWVGGRQHSA-N 1 2 309.753 2.529 20 5 DFBDLO Cc1ccc(N2CC[NH+](Cc3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000080542359 399157175 /nfs/dbraw/zinc/15/71/75/399157175.db2.gz UKDLZFMJPVYLFY-UHFFFAOYSA-N 1 2 312.373 2.620 20 5 DFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1nnc2ccccn21 ZINC000081007804 399201796 /nfs/dbraw/zinc/20/17/96/399201796.db2.gz UAJMXYCSTXVEGV-GFCCVEGCSA-N 1 2 311.345 2.831 20 5 DFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1nnc2ccccn21 ZINC000081007804 399201799 /nfs/dbraw/zinc/20/17/99/399201799.db2.gz UAJMXYCSTXVEGV-GFCCVEGCSA-N 1 2 311.345 2.831 20 5 DFBDLO O=[N+]([O-])c1cc(F)cnc1N1CC[NH+](Cc2cccs2)CC1 ZINC000601099832 399226039 /nfs/dbraw/zinc/22/60/39/399226039.db2.gz ARILWNHFSRWERO-UHFFFAOYSA-N 1 2 322.365 2.513 20 5 DFBDLO CC[C@@H]1C[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H](CC)O1 ZINC000420954513 296217333 /nfs/dbraw/zinc/21/73/33/296217333.db2.gz KBNPGLUHSNMJKO-ZIAGYGMSSA-N 1 2 308.378 2.993 20 5 DFBDLO CCC[C@@H]1C[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000267691497 206220379 /nfs/dbraw/zinc/22/03/79/206220379.db2.gz RLAIIESBCVWTGZ-DGCLKSJQSA-N 1 2 314.345 2.699 20 5 DFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000285188357 296234476 /nfs/dbraw/zinc/23/44/76/296234476.db2.gz CDMJAGNPKCNVJQ-XJKSGUPXSA-N 1 2 306.362 2.537 20 5 DFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000285188357 296234477 /nfs/dbraw/zinc/23/44/77/296234477.db2.gz CDMJAGNPKCNVJQ-XJKSGUPXSA-N 1 2 306.362 2.537 20 5 DFBDLO CCO[C@H]1C[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C12CCC2 ZINC000344470026 284619896 /nfs/dbraw/zinc/61/98/96/284619896.db2.gz VYVUACAYOBVENY-GJZGRUSLSA-N 1 2 306.362 2.738 20 5 DFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421554011 296265468 /nfs/dbraw/zinc/26/54/68/296265468.db2.gz MOIHGQRJHSKAAU-GFCCVEGCSA-N 1 2 316.361 2.919 20 5 DFBDLO CC1(C)[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]2CCCO[C@H]21 ZINC000344626716 284658676 /nfs/dbraw/zinc/65/86/76/284658676.db2.gz KTKOHNYFZNPKCR-NWANDNLSSA-N 1 2 306.362 2.594 20 5 DFBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000619175530 399307374 /nfs/dbraw/zinc/30/73/74/399307374.db2.gz INHUDCHDLUAGFK-BFQNTYOBSA-N 1 2 324.352 2.502 20 5 DFBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000619175530 399307376 /nfs/dbraw/zinc/30/73/76/399307376.db2.gz INHUDCHDLUAGFK-BFQNTYOBSA-N 1 2 324.352 2.502 20 5 DFBDLO CCOc1cccc(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000273808264 211077008 /nfs/dbraw/zinc/07/70/08/211077008.db2.gz AIIAROGENGMATQ-QWHCGFSZSA-N 1 2 323.393 2.515 20 5 DFBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000285280756 218363908 /nfs/dbraw/zinc/36/39/08/218363908.db2.gz FPAFBNCZPWNXIX-CQSZACIVSA-N 1 2 316.361 2.924 20 5 DFBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000285280756 218363909 /nfs/dbraw/zinc/36/39/09/218363909.db2.gz FPAFBNCZPWNXIX-CQSZACIVSA-N 1 2 316.361 2.924 20 5 DFBDLO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285305244 218374125 /nfs/dbraw/zinc/37/41/25/218374125.db2.gz MKQGSYYZDIIPSS-IUCAKERBSA-N 1 2 300.305 2.607 20 5 DFBDLO Cc1cccn2cc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)[nH+]c12 ZINC000109443236 194264150 /nfs/dbraw/zinc/26/41/50/194264150.db2.gz RSZNBAQITMYPRW-UHFFFAOYSA-N 1 2 324.340 2.789 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](OCc3ccccn3)C2)cs1 ZINC000610765545 399403922 /nfs/dbraw/zinc/40/39/22/399403922.db2.gz SKAGLYSJUVRMQC-AWEZNQCLSA-N 1 2 319.386 2.842 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](OCc3ccccn3)C2)cs1 ZINC000610765545 399403927 /nfs/dbraw/zinc/40/39/27/399403927.db2.gz SKAGLYSJUVRMQC-AWEZNQCLSA-N 1 2 319.386 2.842 20 5 DFBDLO Cc1c(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cnn1C ZINC000268946860 207111039 /nfs/dbraw/zinc/11/10/39/207111039.db2.gz PMGCDSUWYNEZNG-UHFFFAOYSA-N 1 2 308.769 2.922 20 5 DFBDLO Cc1c(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cnn1C ZINC000268946860 207111043 /nfs/dbraw/zinc/11/10/43/207111043.db2.gz PMGCDSUWYNEZNG-UHFFFAOYSA-N 1 2 308.769 2.922 20 5 DFBDLO Cn1cc(C[N@H+](Cc2ccc(F)cc2)C2CC2)c([N+](=O)[O-])n1 ZINC000602422995 399440384 /nfs/dbraw/zinc/44/03/84/399440384.db2.gz BACTVEZEONPJIC-UHFFFAOYSA-N 1 2 304.325 2.632 20 5 DFBDLO Cn1cc(C[N@@H+](Cc2ccc(F)cc2)C2CC2)c([N+](=O)[O-])n1 ZINC000602422995 399440385 /nfs/dbraw/zinc/44/03/85/399440385.db2.gz BACTVEZEONPJIC-UHFFFAOYSA-N 1 2 304.325 2.632 20 5 DFBDLO COc1c(C)cc(C[N@H+](C)Cc2cn(C)nc2[N+](=O)[O-])cc1C ZINC000602465523 399451429 /nfs/dbraw/zinc/45/14/29/399451429.db2.gz RMVAJLMRJFDEEC-UHFFFAOYSA-N 1 2 318.377 2.586 20 5 DFBDLO COc1c(C)cc(C[N@@H+](C)Cc2cn(C)nc2[N+](=O)[O-])cc1C ZINC000602465523 399451432 /nfs/dbraw/zinc/45/14/32/399451432.db2.gz RMVAJLMRJFDEEC-UHFFFAOYSA-N 1 2 318.377 2.586 20 5 DFBDLO CC[C@H](C)[N@H+](CC(=O)OC)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602647180 399501268 /nfs/dbraw/zinc/50/12/68/399501268.db2.gz IPLIRFOTPCAEHC-JTQLQIEISA-N 1 2 321.333 2.510 20 5 DFBDLO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602647180 399501269 /nfs/dbraw/zinc/50/12/69/399501269.db2.gz IPLIRFOTPCAEHC-JTQLQIEISA-N 1 2 321.333 2.510 20 5 DFBDLO COC(=O)[C@@H](CC(C)(C)C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000611727103 399513555 /nfs/dbraw/zinc/51/35/55/399513555.db2.gz DCUHIIIDHIZUHU-CQSZACIVSA-N 1 2 308.378 2.705 20 5 DFBDLO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000347596158 285084061 /nfs/dbraw/zinc/08/40/61/285084061.db2.gz IIHITBTYWJYRFI-ZDUSSCGKSA-N 1 2 318.377 2.920 20 5 DFBDLO CC[C@@H](c1ccccc1OC)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000347596158 285084064 /nfs/dbraw/zinc/08/40/64/285084064.db2.gz IIHITBTYWJYRFI-ZDUSSCGKSA-N 1 2 318.377 2.920 20 5 DFBDLO CC[C@H](c1ccccc1OC)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000347596153 285084081 /nfs/dbraw/zinc/08/40/81/285084081.db2.gz IIHITBTYWJYRFI-CYBMUJFWSA-N 1 2 318.377 2.920 20 5 DFBDLO CC[C@H](c1ccccc1OC)[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000347596153 285084084 /nfs/dbraw/zinc/08/40/84/285084084.db2.gz IIHITBTYWJYRFI-CYBMUJFWSA-N 1 2 318.377 2.920 20 5 DFBDLO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)c1ccco1 ZINC000347613191 285092957 /nfs/dbraw/zinc/09/29/57/285092957.db2.gz BBWCFHODQIXMFA-GFCCVEGCSA-N 1 2 306.318 2.674 20 5 DFBDLO CC1([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)COC1 ZINC000602740878 399551060 /nfs/dbraw/zinc/55/10/60/399551060.db2.gz QHGYIAQDYMIPPR-UHFFFAOYSA-N 1 2 305.359 2.597 20 5 DFBDLO CCC[C@@]1(CO)CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000288643922 220316488 /nfs/dbraw/zinc/31/64/88/220316488.db2.gz ATMXMMSZJDSMSC-OAHLLOKOSA-N 1 2 314.332 2.858 20 5 DFBDLO CCC[C@@]1(CO)CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000288643922 220316494 /nfs/dbraw/zinc/31/64/94/220316494.db2.gz ATMXMMSZJDSMSC-OAHLLOKOSA-N 1 2 314.332 2.858 20 5 DFBDLO Cc1nc([C@@H]2CCC[N@@H+]2CCn2c(C)ncc2[N+](=O)[O-])cs1 ZINC000602812933 399586403 /nfs/dbraw/zinc/58/64/03/399586403.db2.gz UGEILDJKXKTSTQ-ZDUSSCGKSA-N 1 2 321.406 2.702 20 5 DFBDLO Cc1nc([C@@H]2CCC[N@H+]2CCn2c(C)ncc2[N+](=O)[O-])cs1 ZINC000602812933 399586408 /nfs/dbraw/zinc/58/64/08/399586408.db2.gz UGEILDJKXKTSTQ-ZDUSSCGKSA-N 1 2 321.406 2.702 20 5 DFBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@](F)(c3ccc(F)cc3)C2)c1 ZINC000374328880 285189330 /nfs/dbraw/zinc/18/93/30/285189330.db2.gz UACAZBIFBFKFIK-OAHLLOKOSA-N 1 2 322.315 2.501 20 5 DFBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@](F)(c3ccc(F)cc3)C2)c1 ZINC000374328880 285189332 /nfs/dbraw/zinc/18/93/32/285189332.db2.gz UACAZBIFBFKFIK-OAHLLOKOSA-N 1 2 322.315 2.501 20 5 DFBDLO COC[C@@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccco1 ZINC000184404757 285239029 /nfs/dbraw/zinc/23/90/29/285239029.db2.gz BQCQNKOQZBGEDN-GFCCVEGCSA-N 1 2 324.308 2.813 20 5 DFBDLO Cc1sc(C(=O)Nc2cc(N(C)C)cc[nH+]2)cc1[N+](=O)[O-] ZINC000612346627 399629292 /nfs/dbraw/zinc/62/92/92/399629292.db2.gz KZLJCPWJHCCCIX-UHFFFAOYSA-N 1 2 306.347 2.678 20 5 DFBDLO Cc1noc([C@@H]2CCC[N@@H+]2Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000289886339 221292630 /nfs/dbraw/zinc/29/26/30/221292630.db2.gz SJHAMTWWMKKFFG-ZDUSSCGKSA-N 1 2 302.334 2.932 20 5 DFBDLO Cc1noc([C@@H]2CCC[N@H+]2Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000289886339 221292633 /nfs/dbraw/zinc/29/26/33/221292633.db2.gz SJHAMTWWMKKFFG-ZDUSSCGKSA-N 1 2 302.334 2.932 20 5 DFBDLO COC(=O)[C@H](CC(C)C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000292484049 533233657 /nfs/dbraw/zinc/23/36/57/533233657.db2.gz SIODBLCZGUNZGD-AWEZNQCLSA-N 1 2 312.341 2.753 20 5 DFBDLO COC(=O)[C@H](CC(C)C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000292484049 533233650 /nfs/dbraw/zinc/23/36/50/533233650.db2.gz SIODBLCZGUNZGD-AWEZNQCLSA-N 1 2 312.341 2.753 20 5 DFBDLO COc1cc(C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)ccc1[N+](=O)[O-] ZINC000348152999 285385608 /nfs/dbraw/zinc/38/56/08/285385608.db2.gz DBGDJGZQNZWBLW-CYBMUJFWSA-N 1 2 302.334 2.664 20 5 DFBDLO COc1cc(C[N@H+]2CCC[C@@H]2c2cc[nH]n2)ccc1[N+](=O)[O-] ZINC000348152999 285385611 /nfs/dbraw/zinc/38/56/11/285385611.db2.gz DBGDJGZQNZWBLW-CYBMUJFWSA-N 1 2 302.334 2.664 20 5 DFBDLO O=[N+]([O-])c1ccc([C@@H]2CCCN(c3cc(CO)cc[nH+]3)C2)cc1 ZINC000603384935 399760130 /nfs/dbraw/zinc/76/01/30/399760130.db2.gz DFGURLXYZNUZEM-OAHLLOKOSA-N 1 2 313.357 2.866 20 5 DFBDLO Cc1cnc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000348417319 285535792 /nfs/dbraw/zinc/53/57/92/285535792.db2.gz TZKWVXUADCWLMS-GHMZBOCLSA-N 1 2 318.333 2.569 20 5 DFBDLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000348417325 285535825 /nfs/dbraw/zinc/53/58/25/285535825.db2.gz TZKWVXUADCWLMS-WDEREUQCSA-N 1 2 318.333 2.569 20 5 DFBDLO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)[nH]1 ZINC000276310750 542977478 /nfs/dbraw/zinc/97/74/78/542977478.db2.gz MDQSOIHQYNQVAA-LBPRGKRZSA-N 1 2 319.340 2.540 20 5 DFBDLO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)[nH]1 ZINC000276310750 542977482 /nfs/dbraw/zinc/97/74/82/542977482.db2.gz MDQSOIHQYNQVAA-LBPRGKRZSA-N 1 2 319.340 2.540 20 5 DFBDLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)n1 ZINC000276310750 542977485 /nfs/dbraw/zinc/97/74/85/542977485.db2.gz MDQSOIHQYNQVAA-LBPRGKRZSA-N 1 2 319.340 2.540 20 5 DFBDLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)n1 ZINC000276310750 542977489 /nfs/dbraw/zinc/97/74/89/542977489.db2.gz MDQSOIHQYNQVAA-LBPRGKRZSA-N 1 2 319.340 2.540 20 5 DFBDLO Cc1nc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)n[nH]1 ZINC000276310750 542977492 /nfs/dbraw/zinc/97/74/92/542977492.db2.gz MDQSOIHQYNQVAA-LBPRGKRZSA-N 1 2 319.340 2.540 20 5 DFBDLO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)n[nH]1 ZINC000276310750 542977495 /nfs/dbraw/zinc/97/74/95/542977495.db2.gz MDQSOIHQYNQVAA-LBPRGKRZSA-N 1 2 319.340 2.540 20 5 DFBDLO CC(C)[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1[nH]cc[nH+]1 ZINC000289332295 543006999 /nfs/dbraw/zinc/00/69/99/543006999.db2.gz YEZZLQVNAZDYSM-LBPRGKRZSA-N 1 2 321.312 2.976 20 5 DFBDLO Cc1ccc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000299547349 292051924 /nfs/dbraw/zinc/05/19/24/292051924.db2.gz QAVNSWNYSWSSCV-CYBMUJFWSA-N 1 2 314.345 2.994 20 5 DFBDLO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000449218929 297424623 /nfs/dbraw/zinc/42/46/23/297424623.db2.gz BFLNHPFINMFIOP-NWDGAFQWSA-N 1 2 308.378 2.846 20 5 DFBDLO O=C(C=Cc1c[nH]c[nH+]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000492856273 299666888 /nfs/dbraw/zinc/66/68/88/299666888.db2.gz BMBANISNIBLEGC-BAQGIRSFSA-N 1 2 312.329 2.522 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCC(F)(F)F ZINC000355440737 147317461 /nfs/dbraw/zinc/31/74/61/147317461.db2.gz QWAXHHUJPRETAB-UHFFFAOYSA-N 1 2 319.283 2.726 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCC(F)(F)F ZINC000355440737 147317464 /nfs/dbraw/zinc/31/74/64/147317464.db2.gz QWAXHHUJPRETAB-UHFFFAOYSA-N 1 2 319.283 2.726 20 5 DFBDLO COCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H](C)c1ccccc1 ZINC000355548452 147359357 /nfs/dbraw/zinc/35/93/57/147359357.db2.gz BOHOOWVCGFELEJ-CYBMUJFWSA-N 1 2 318.377 2.538 20 5 DFBDLO COCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H](C)c1ccccc1 ZINC000355548452 147359359 /nfs/dbraw/zinc/35/93/59/147359359.db2.gz BOHOOWVCGFELEJ-CYBMUJFWSA-N 1 2 318.377 2.538 20 5 DFBDLO Cc1sc(C(=O)N2CCC[C@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000371462185 150050579 /nfs/dbraw/zinc/05/05/79/150050579.db2.gz BPJUKZITFZEIAV-JTQLQIEISA-N 1 2 320.374 2.676 20 5 DFBDLO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000351820197 286225977 /nfs/dbraw/zinc/22/59/77/286225977.db2.gz DJAGUPMLSOWQAF-MRXNPFEDSA-N 1 2 304.321 2.899 20 5 DFBDLO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000351820197 286225978 /nfs/dbraw/zinc/22/59/78/286225978.db2.gz DJAGUPMLSOWQAF-MRXNPFEDSA-N 1 2 304.321 2.899 20 5 DFBDLO COc1cc(C[N@@H+]2CCOC[C@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC000351922843 286245505 /nfs/dbraw/zinc/24/55/05/286245505.db2.gz LCDWDNWXKQQOQO-CQSZACIVSA-N 1 2 308.378 2.850 20 5 DFBDLO COc1cc(C[N@H+]2CCOC[C@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC000351922843 286245509 /nfs/dbraw/zinc/24/55/09/286245509.db2.gz LCDWDNWXKQQOQO-CQSZACIVSA-N 1 2 308.378 2.850 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H](CO)c2ccsc2)c(F)c1 ZINC000351993575 286263968 /nfs/dbraw/zinc/26/39/68/286263968.db2.gz JMMQCDSOKPVXDG-CYBMUJFWSA-N 1 2 314.313 2.758 20 5 DFBDLO Cc1c[nH]c(C(C)(C)NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000493508737 299790852 /nfs/dbraw/zinc/79/08/52/299790852.db2.gz ATTWGKGGZLGMPH-TWGQIWQCSA-N 1 2 314.345 2.691 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](CCO)c1ccccc1 ZINC000429687323 296754900 /nfs/dbraw/zinc/75/49/00/296754900.db2.gz WIUNKJFPYXKMPK-HNNXBMFYSA-N 1 2 302.330 2.514 20 5 DFBDLO C[C@H]([NH2+]Cc1nnc(C2CCC2)n1C)c1cccc([N+](=O)[O-])c1 ZINC000181713447 157995245 /nfs/dbraw/zinc/99/52/45/157995245.db2.gz LXSIYOMVOWRGDQ-NSHDSACASA-N 1 2 315.377 2.842 20 5 DFBDLO Cc1ccc2nc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3F)cn2c1 ZINC000356974284 158335887 /nfs/dbraw/zinc/33/58/87/158335887.db2.gz YVAXAEGGROBDLH-UHFFFAOYSA-N 1 2 314.320 2.980 20 5 DFBDLO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1ccco1 ZINC000430212741 296777681 /nfs/dbraw/zinc/77/76/81/296777681.db2.gz PQCRIWBPUWHXTB-CYBMUJFWSA-N 1 2 306.318 2.674 20 5 DFBDLO Cc1sc(C(=O)NCc2[nH+]ccn2CC(C)C)cc1[N+](=O)[O-] ZINC000130932394 196123496 /nfs/dbraw/zinc/12/34/96/196123496.db2.gz BJWRIMLPMQCFEI-UHFFFAOYSA-N 1 2 322.390 2.747 20 5 DFBDLO Cc1cc(C(=O)NCc2[nH+]ccn2CC(C)C)ccc1[N+](=O)[O-] ZINC000131079373 196137825 /nfs/dbraw/zinc/13/78/25/196137825.db2.gz PDBCBKIIWLMLDJ-UHFFFAOYSA-N 1 2 316.361 2.686 20 5 DFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@](C)(F)C1 ZINC000295581323 225010749 /nfs/dbraw/zinc/01/07/49/225010749.db2.gz ZNRXKHOCQUKSEM-NHYWBVRUSA-N 1 2 309.341 2.746 20 5 DFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@](C)(F)C1 ZINC000295581323 225010753 /nfs/dbraw/zinc/01/07/53/225010753.db2.gz ZNRXKHOCQUKSEM-NHYWBVRUSA-N 1 2 309.341 2.746 20 5 DFBDLO CCn1nc(C)c(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000295822431 225277303 /nfs/dbraw/zinc/27/73/03/225277303.db2.gz UVDJENWVRAJIEZ-NSHDSACASA-N 1 2 303.366 2.674 20 5 DFBDLO COC[C@H](C)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301075670 229485087 /nfs/dbraw/zinc/48/50/87/229485087.db2.gz DBPFTCSSHSNFQI-NSHDSACASA-N 1 2 302.334 2.807 20 5 DFBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccc(F)c1 ZINC000007843388 425654749 /nfs/dbraw/zinc/65/47/49/425654749.db2.gz KOQHRQMJOHNFBX-UHFFFAOYSA-N 1 2 317.320 2.804 20 5 DFBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccc(F)c1 ZINC000007843388 425654752 /nfs/dbraw/zinc/65/47/52/425654752.db2.gz KOQHRQMJOHNFBX-UHFFFAOYSA-N 1 2 317.320 2.804 20 5 DFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccco1 ZINC000030276116 425831099 /nfs/dbraw/zinc/83/10/99/425831099.db2.gz SHKMNGRQWVPUMI-LLVKDONJSA-N 1 2 303.318 2.647 20 5 DFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccco1 ZINC000030276116 425831100 /nfs/dbraw/zinc/83/11/00/425831100.db2.gz SHKMNGRQWVPUMI-LLVKDONJSA-N 1 2 303.318 2.647 20 5 DFBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])Cc1cccc2c1OCCO2 ZINC000194964236 268122316 /nfs/dbraw/zinc/12/23/16/268122316.db2.gz OHULRLVFSRNHGT-UHFFFAOYSA-N 1 2 314.341 2.998 20 5 DFBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])Cc1cccc2c1OCCO2 ZINC000194964236 268122320 /nfs/dbraw/zinc/12/23/20/268122320.db2.gz OHULRLVFSRNHGT-UHFFFAOYSA-N 1 2 314.341 2.998 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000304958103 268328049 /nfs/dbraw/zinc/32/80/49/268328049.db2.gz KCHFRLUNICFQQN-QGZVFWFLSA-N 1 2 316.332 2.826 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCc2ccccc2[C@H]1CO ZINC000304958103 268328051 /nfs/dbraw/zinc/32/80/51/268328051.db2.gz KCHFRLUNICFQQN-QGZVFWFLSA-N 1 2 316.332 2.826 20 5 DFBDLO Cn1cc[nH+]c1CNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000071274422 425984513 /nfs/dbraw/zinc/98/45/13/425984513.db2.gz YSVVMDUEXRVPAC-UHFFFAOYSA-N 1 2 300.240 2.959 20 5 DFBDLO COC(=O)C1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000107904765 426005725 /nfs/dbraw/zinc/00/57/25/426005725.db2.gz TYEVGLKEDLBZDR-UHFFFAOYSA-N 1 2 312.753 2.633 20 5 DFBDLO Cc1noc(C2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)n1 ZINC000103469417 425949170 /nfs/dbraw/zinc/94/91/70/425949170.db2.gz YWRAZCZMKXCHHD-UHFFFAOYSA-N 1 2 320.324 2.805 20 5 DFBDLO Cc1cc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc[nH+]1 ZINC000075815791 426084798 /nfs/dbraw/zinc/08/47/98/426084798.db2.gz XQWDSWYQZUJRQH-UHFFFAOYSA-N 1 2 323.312 2.736 20 5 DFBDLO CCc1cc(N[C@@H](C)CCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000077988148 426154110 /nfs/dbraw/zinc/15/41/10/426154110.db2.gz HLUDLVRDBKGYBD-NSHDSACASA-N 1 2 316.361 2.797 20 5 DFBDLO CC[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000130326224 426154866 /nfs/dbraw/zinc/15/48/66/426154866.db2.gz PKTAJTNGMBQVNX-LBPRGKRZSA-N 1 2 314.345 2.653 20 5 DFBDLO CN(Cc1ccc(N)[nH+]c1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000135984884 426232870 /nfs/dbraw/zinc/23/28/70/426232870.db2.gz MATLMLZXECOHMQ-UHFFFAOYSA-N 1 2 309.329 2.757 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CC)Cc1cnn(C)c1 ZINC000175152846 426283413 /nfs/dbraw/zinc/28/34/13/426283413.db2.gz AOQNPDLXVKEGEY-UHFFFAOYSA-N 1 2 318.377 2.749 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CC)Cc1cnn(C)c1 ZINC000175152846 426283415 /nfs/dbraw/zinc/28/34/15/426283415.db2.gz AOQNPDLXVKEGEY-UHFFFAOYSA-N 1 2 318.377 2.749 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000151200551 426283770 /nfs/dbraw/zinc/28/37/70/426283770.db2.gz XLHQTWOJZBJCLC-LBPRGKRZSA-N 1 2 323.418 2.587 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000339776201 268887715 /nfs/dbraw/zinc/88/77/15/268887715.db2.gz MOUQKVUYQAEEFY-CQSZACIVSA-N 1 2 306.362 2.691 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000339776201 268887716 /nfs/dbraw/zinc/88/77/16/268887716.db2.gz MOUQKVUYQAEEFY-CQSZACIVSA-N 1 2 306.362 2.691 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)cs1 ZINC000152578213 426347289 /nfs/dbraw/zinc/34/72/89/426347289.db2.gz KIIVTDXURQRBFE-ZDUSSCGKSA-N 1 2 305.359 2.705 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)cs1 ZINC000152578213 426347290 /nfs/dbraw/zinc/34/72/90/426347290.db2.gz KIIVTDXURQRBFE-ZDUSSCGKSA-N 1 2 305.359 2.705 20 5 DFBDLO Cc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000121613415 426351648 /nfs/dbraw/zinc/35/16/48/426351648.db2.gz FWVZHBNADGEKHJ-UHFFFAOYSA-N 1 2 301.302 2.624 20 5 DFBDLO COc1ccc(-c2ccc(C[NH+]3CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000154510640 426443824 /nfs/dbraw/zinc/44/38/24/426443824.db2.gz SAINRKVKZHFABM-UHFFFAOYSA-N 1 2 318.329 2.696 20 5 DFBDLO C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000340899012 269028631 /nfs/dbraw/zinc/02/86/31/269028631.db2.gz LAKPTYFQKRZMTO-BMIGLBTASA-N 1 2 317.320 2.611 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(N2CCc3c([nH+]c(C(C)C)n3C)C2)n1 ZINC000178216281 426588495 /nfs/dbraw/zinc/58/84/95/426588495.db2.gz OLNLOYVBZRQQPJ-UHFFFAOYSA-N 1 2 315.377 2.718 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H](C)[S@@]1=O ZINC000289216038 426606362 /nfs/dbraw/zinc/60/63/62/426606362.db2.gz CGHIPLKNBFXDHQ-UPBLURMWSA-N 1 2 310.419 2.635 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H](C)[S@@]1=O ZINC000289216038 426606367 /nfs/dbraw/zinc/60/63/67/426606367.db2.gz CGHIPLKNBFXDHQ-UPBLURMWSA-N 1 2 310.419 2.635 20 5 DFBDLO Cc1ccnc(NCCCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000265283891 426613327 /nfs/dbraw/zinc/61/33/27/426613327.db2.gz WVAHDXDPOCGCMH-UHFFFAOYSA-N 1 2 301.350 2.997 20 5 DFBDLO C[NH+](C)[C@@H](CNc1ncccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000265298111 426614147 /nfs/dbraw/zinc/61/41/47/426614147.db2.gz ZJLNIPPRNIRFGC-ZDUSSCGKSA-N 1 2 322.315 2.983 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@@H](C)[S@@]1=O ZINC000289258383 426615584 /nfs/dbraw/zinc/61/55/84/426615584.db2.gz FOJUEZUCRDWXAK-MEELVIRWSA-N 1 2 310.419 2.635 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@@H](C)[S@@]1=O ZINC000289258383 426615590 /nfs/dbraw/zinc/61/55/90/426615590.db2.gz FOJUEZUCRDWXAK-MEELVIRWSA-N 1 2 310.419 2.635 20 5 DFBDLO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000264461438 426557528 /nfs/dbraw/zinc/55/75/28/426557528.db2.gz KPPJAOUWSHXITR-ZDUSSCGKSA-N 1 2 313.361 2.632 20 5 DFBDLO Cc1cn[nH]c1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000290323009 426740177 /nfs/dbraw/zinc/74/01/77/426740177.db2.gz BTVFIRZCBHWERX-UHFFFAOYSA-N 1 2 316.361 2.670 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000245529290 426747900 /nfs/dbraw/zinc/74/79/00/426747900.db2.gz RGSYMSHOLOSPFU-RRQGHBQHSA-N 1 2 320.389 2.844 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000245529290 426747903 /nfs/dbraw/zinc/74/79/03/426747903.db2.gz RGSYMSHOLOSPFU-RRQGHBQHSA-N 1 2 320.389 2.844 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H](C)O1 ZINC000246431201 426833361 /nfs/dbraw/zinc/83/33/61/426833361.db2.gz LGNBIXXYYOXAHS-ZYHUDNBSSA-N 1 2 305.334 2.735 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H](C)O1 ZINC000246431201 426833362 /nfs/dbraw/zinc/83/33/62/426833362.db2.gz LGNBIXXYYOXAHS-ZYHUDNBSSA-N 1 2 305.334 2.735 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCc3ccccc3[C@H]2CO)cs1 ZINC000268137709 426924325 /nfs/dbraw/zinc/92/43/25/426924325.db2.gz POVSTVRKTYFAAL-CQSZACIVSA-N 1 2 304.371 2.748 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCc3ccccc3[C@H]2CO)cs1 ZINC000268137709 426924329 /nfs/dbraw/zinc/92/43/29/426924329.db2.gz POVSTVRKTYFAAL-CQSZACIVSA-N 1 2 304.371 2.748 20 5 DFBDLO Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000180727575 426881378 /nfs/dbraw/zinc/88/13/78/426881378.db2.gz HVLSIKJUUFPCFE-UHFFFAOYSA-N 1 2 323.312 2.819 20 5 DFBDLO O=C(CC[N@@H+]1CCC=C(F)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000275634581 426882565 /nfs/dbraw/zinc/88/25/65/426882565.db2.gz QYICRXHKOQFXGW-UHFFFAOYSA-N 1 2 311.288 2.622 20 5 DFBDLO O=C(CC[N@H+]1CCC=C(F)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000275634581 426882571 /nfs/dbraw/zinc/88/25/71/426882571.db2.gz QYICRXHKOQFXGW-UHFFFAOYSA-N 1 2 311.288 2.622 20 5 DFBDLO C[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000282840234 426926291 /nfs/dbraw/zinc/92/62/91/426926291.db2.gz SSIRGQRTXOYVLU-LLVKDONJSA-N 1 2 303.366 2.792 20 5 DFBDLO Cc1ccnc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000268297273 426980225 /nfs/dbraw/zinc/98/02/25/426980225.db2.gz WVBWYMCKOHHHBM-YPMHNXCESA-N 1 2 301.350 2.582 20 5 DFBDLO CC(C)[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(F)F ZINC000283434187 427015001 /nfs/dbraw/zinc/01/50/01/427015001.db2.gz XFDBTLNQWJDPEQ-UHFFFAOYSA-N 1 2 315.320 2.899 20 5 DFBDLO CC(C)[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(F)F ZINC000283434187 427015005 /nfs/dbraw/zinc/01/50/05/427015005.db2.gz XFDBTLNQWJDPEQ-UHFFFAOYSA-N 1 2 315.320 2.899 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@](C)(CC)C1 ZINC000190090632 427016859 /nfs/dbraw/zinc/01/68/59/427016859.db2.gz ZZWGNLAZQOHVEI-MRXNPFEDSA-N 1 2 308.378 2.994 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@](C)(CC)C1 ZINC000190090632 427016866 /nfs/dbraw/zinc/01/68/66/427016866.db2.gz ZZWGNLAZQOHVEI-MRXNPFEDSA-N 1 2 308.378 2.994 20 5 DFBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)Cc1[nH+]ccn1C ZINC000276375375 427051102 /nfs/dbraw/zinc/05/11/02/427051102.db2.gz FAYHUWCXCTZRBE-UHFFFAOYSA-N 1 2 317.349 2.609 20 5 DFBDLO Cc1ccn2cc(CNC(=O)c3ccc([N+](=O)[O-])cc3C)[nH+]c2c1 ZINC000338043197 427108686 /nfs/dbraw/zinc/10/86/86/427108686.db2.gz JVGYTBWTHQRLPF-UHFFFAOYSA-N 1 2 324.340 2.789 20 5 DFBDLO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000250433969 427156925 /nfs/dbraw/zinc/15/69/25/427156925.db2.gz VCIBEXRRGASKHN-UPJWGTAASA-N 1 2 324.402 2.962 20 5 DFBDLO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000250433969 427156929 /nfs/dbraw/zinc/15/69/29/427156929.db2.gz VCIBEXRRGASKHN-UPJWGTAASA-N 1 2 324.402 2.962 20 5 DFBDLO Cc1cc(=O)[nH]c([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000296536651 427213484 /nfs/dbraw/zinc/21/34/84/427213484.db2.gz DQKGCWNROSIBOU-QWRGUYRKSA-N 1 2 302.334 2.811 20 5 DFBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@@H]1CCCC[C@@H]1O ZINC000285501224 427253476 /nfs/dbraw/zinc/25/34/76/427253476.db2.gz FBKCLAFZVHATTE-BONVTDFDSA-N 1 2 314.332 2.856 20 5 DFBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@@H]1CCCC[C@@H]1O ZINC000285501224 427253482 /nfs/dbraw/zinc/25/34/82/427253482.db2.gz FBKCLAFZVHATTE-BONVTDFDSA-N 1 2 314.332 2.856 20 5 DFBDLO CC[C@]1(C)C[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CCO1 ZINC000191154140 427270541 /nfs/dbraw/zinc/27/05/41/427270541.db2.gz MXCLQPSSICJVIF-MRXNPFEDSA-N 1 2 324.377 2.613 20 5 DFBDLO CC[C@]1(C)C[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CCO1 ZINC000191154140 427270547 /nfs/dbraw/zinc/27/05/47/427270547.db2.gz MXCLQPSSICJVIF-MRXNPFEDSA-N 1 2 324.377 2.613 20 5 DFBDLO CCOc1cc(C[N@@H+]2CCOC(C)(C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000331199607 427370364 /nfs/dbraw/zinc/37/03/64/427370364.db2.gz ZVSRUYPSVWEWMK-LBPRGKRZSA-N 1 2 308.378 2.993 20 5 DFBDLO CCOc1cc(C[N@H+]2CCOC(C)(C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000331199607 427370370 /nfs/dbraw/zinc/37/03/70/427370370.db2.gz ZVSRUYPSVWEWMK-LBPRGKRZSA-N 1 2 308.378 2.993 20 5 DFBDLO Nc1[nH+]cnc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1Cl ZINC000277910998 427357187 /nfs/dbraw/zinc/35/71/87/427357187.db2.gz UZRCVNCKCUBOFN-UHFFFAOYSA-N 1 2 319.752 2.789 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cs1 ZINC000277913277 427359858 /nfs/dbraw/zinc/35/98/58/427359858.db2.gz XMCAACJWYUMSGH-ONGXEEELSA-N 1 2 324.324 2.792 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cs1 ZINC000277913277 427359863 /nfs/dbraw/zinc/35/98/63/427359863.db2.gz XMCAACJWYUMSGH-ONGXEEELSA-N 1 2 324.324 2.792 20 5 DFBDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000331873775 427484749 /nfs/dbraw/zinc/48/47/49/427484749.db2.gz VFKJJAMLDBDDKH-HNNXBMFYSA-N 1 2 316.361 2.977 20 5 DFBDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000331873775 427484755 /nfs/dbraw/zinc/48/47/55/427484755.db2.gz VFKJJAMLDBDDKH-HNNXBMFYSA-N 1 2 316.361 2.977 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@H](C)[S@]1=O ZINC000286147031 427437645 /nfs/dbraw/zinc/43/76/45/427437645.db2.gz VTIQSBIYCDOUHH-ZWTFIKMHSA-N 1 2 310.419 2.635 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@H](C)[S@]1=O ZINC000286147031 427437654 /nfs/dbraw/zinc/43/76/54/427437654.db2.gz VTIQSBIYCDOUHH-ZWTFIKMHSA-N 1 2 310.419 2.635 20 5 DFBDLO C[C@H]1SCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1C ZINC000332231261 427553732 /nfs/dbraw/zinc/55/37/32/427553732.db2.gz OLONMVZCBWMEDV-VHSXEESVSA-N 1 2 306.391 2.797 20 5 DFBDLO C[C@H]1SCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1C ZINC000332231261 427553737 /nfs/dbraw/zinc/55/37/37/427553737.db2.gz OLONMVZCBWMEDV-VHSXEESVSA-N 1 2 306.391 2.797 20 5 DFBDLO Cc1c(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)cccc1[N+](=O)[O-] ZINC000341685880 271877645 /nfs/dbraw/zinc/87/76/45/271877645.db2.gz DQNMRQRGGAZETC-AWEZNQCLSA-N 1 2 314.345 2.518 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1Nc1ccc(NC2CCCC2)[nH+]c1 ZINC000263796609 427574076 /nfs/dbraw/zinc/57/40/76/427574076.db2.gz KSNLADIWKCAGFD-UHFFFAOYSA-N 1 2 302.338 2.821 20 5 DFBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CCc1c[nH+]c[nH]1 ZINC000192868411 427628092 /nfs/dbraw/zinc/62/80/92/427628092.db2.gz GMMMYAHBSUFGDJ-UHFFFAOYSA-N 1 2 316.361 2.688 20 5 DFBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CCc1c[nH]c[nH+]1 ZINC000192868411 427628101 /nfs/dbraw/zinc/62/81/01/427628101.db2.gz GMMMYAHBSUFGDJ-UHFFFAOYSA-N 1 2 316.361 2.688 20 5 DFBDLO Cc1c(NC(=O)[C@H](C)[N@H+](C)Cc2ccoc2)cccc1[N+](=O)[O-] ZINC000342632648 272033739 /nfs/dbraw/zinc/03/37/39/272033739.db2.gz MHGQLNVWCDSTQE-LBPRGKRZSA-N 1 2 317.345 2.955 20 5 DFBDLO Cc1c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccoc2)cccc1[N+](=O)[O-] ZINC000342632648 272033742 /nfs/dbraw/zinc/03/37/42/272033742.db2.gz MHGQLNVWCDSTQE-LBPRGKRZSA-N 1 2 317.345 2.955 20 5 DFBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000343041312 272078155 /nfs/dbraw/zinc/07/81/55/272078155.db2.gz WWYWUZFBDYGJMN-LBPRGKRZSA-N 1 2 321.402 2.523 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](CO)c1ccc(Cl)cc1 ZINC000339080731 427667339 /nfs/dbraw/zinc/66/73/39/427667339.db2.gz MJSHUIQYKUNASI-CQSZACIVSA-N 1 2 322.748 2.777 20 5 DFBDLO COCC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1C ZINC000339138163 427696680 /nfs/dbraw/zinc/69/66/80/427696680.db2.gz ULMSYZZMLZEYDY-IUODEOHRSA-N 1 2 308.378 2.937 20 5 DFBDLO COCC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1C ZINC000339138163 427696687 /nfs/dbraw/zinc/69/66/87/427696687.db2.gz ULMSYZZMLZEYDY-IUODEOHRSA-N 1 2 308.378 2.937 20 5 DFBDLO CC[C@H](Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)c1[nH]cc[nH+]1 ZINC000336873983 427770048 /nfs/dbraw/zinc/77/00/48/427770048.db2.gz WLBKVYASVIRCOH-JTQLQIEISA-N 1 2 315.333 2.766 20 5 DFBDLO C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)[NH+]1CCOCC1 ZINC000301164581 427779078 /nfs/dbraw/zinc/77/90/78/427779078.db2.gz CGLBLZGBBXQSCB-GHMZBOCLSA-N 1 2 313.785 2.769 20 5 DFBDLO C[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000301216931 427782493 /nfs/dbraw/zinc/78/24/93/427782493.db2.gz ZBFBRXYLMMLSMH-QWRGUYRKSA-N 1 2 313.785 2.769 20 5 DFBDLO CC(=O)c1cc(NCc2cn3c([nH+]2)CCCC3)ccc1[N+](=O)[O-] ZINC000288054722 427733852 /nfs/dbraw/zinc/73/38/52/427733852.db2.gz URYZFGWGYPCZLZ-UHFFFAOYSA-N 1 2 314.345 2.942 20 5 DFBDLO CCc1cc(NC[C@H](C)CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000299098655 427750554 /nfs/dbraw/zinc/75/05/54/427750554.db2.gz YSVAHQHZLCSEDK-NSHDSACASA-N 1 2 316.361 2.655 20 5 DFBDLO Cc1cnc(NC2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000301450470 427797340 /nfs/dbraw/zinc/79/73/40/427797340.db2.gz PXWQKOORZQYLCB-UHFFFAOYSA-N 1 2 313.361 2.774 20 5 DFBDLO CC(C)[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000339738689 427819839 /nfs/dbraw/zinc/81/98/39/427819839.db2.gz VLJYWLVGALJAID-HNNXBMFYSA-N 1 2 308.378 2.577 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H]1CCCC[C@H]1OC(F)F ZINC000337275118 427829493 /nfs/dbraw/zinc/82/94/93/427829493.db2.gz FWFCGLAMLLJPEY-WCQYABFASA-N 1 2 316.304 2.940 20 5 DFBDLO Cc1cc(N[C@H]2CCO[C@H]2C)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301867907 427831738 /nfs/dbraw/zinc/83/17/38/427831738.db2.gz DUOYMOFXPNTDHZ-FZMZJTMJSA-N 1 2 314.345 2.950 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@]2(CCOC2)O1 ZINC000355665720 427840222 /nfs/dbraw/zinc/84/02/22/427840222.db2.gz VTGMZKJNPQNMCQ-ZBFHGGJFSA-N 1 2 324.352 2.504 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@]2(CCOC2)O1 ZINC000355665720 427840228 /nfs/dbraw/zinc/84/02/28/427840228.db2.gz VTGMZKJNPQNMCQ-ZBFHGGJFSA-N 1 2 324.352 2.504 20 5 DFBDLO O=[N+]([O-])c1ccc(F)cc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000302788819 427870246 /nfs/dbraw/zinc/87/02/46/427870246.db2.gz CYXYIGAFCIHDGE-CYBMUJFWSA-N 1 2 303.293 2.787 20 5 DFBDLO CCOC(=O)[C@@H](C)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413170571 427979838 /nfs/dbraw/zinc/97/98/38/427979838.db2.gz BVEPMPARMHDFGB-JTQLQIEISA-N 1 2 303.318 2.754 20 5 DFBDLO Cc1c[nH+]ccc1NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000341692006 428158321 /nfs/dbraw/zinc/15/83/21/428158321.db2.gz DKXNGPIFPYRKFY-NSHDSACASA-N 1 2 300.318 2.603 20 5 DFBDLO Cc1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000341705001 428162906 /nfs/dbraw/zinc/16/29/06/428162906.db2.gz IDHMXVRVKOWPRV-CQSZACIVSA-N 1 2 314.345 2.518 20 5 DFBDLO CC[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(F)cc1F ZINC000341845595 428228717 /nfs/dbraw/zinc/22/87/17/428228717.db2.gz ISODYWRCTZPHBI-LBPRGKRZSA-N 1 2 310.304 2.847 20 5 DFBDLO Cc1nc([C@H]2CCC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)no1 ZINC000360271255 428231319 /nfs/dbraw/zinc/23/13/19/428231319.db2.gz OUCZNXGSVLUEJQ-NSHDSACASA-N 1 2 320.324 2.805 20 5 DFBDLO Cc1nc([C@H]2CCC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)no1 ZINC000360271255 428231324 /nfs/dbraw/zinc/23/13/24/428231324.db2.gz OUCZNXGSVLUEJQ-NSHDSACASA-N 1 2 320.324 2.805 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000414067587 428197417 /nfs/dbraw/zinc/19/74/17/428197417.db2.gz HYDYMYOIQAHTKZ-LLVKDONJSA-N 1 2 316.361 2.597 20 5 DFBDLO COc1ccc(C[NH2+][C@H](C)c2cc3n(n2)CCC3)cc1[N+](=O)[O-] ZINC000414086687 428202779 /nfs/dbraw/zinc/20/27/79/428202779.db2.gz ZUMALCYTPSYJKZ-LLVKDONJSA-N 1 2 316.361 2.597 20 5 DFBDLO Cc1ccnc(N[C@H]2CCCN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000361794403 428596433 /nfs/dbraw/zinc/59/64/33/428596433.db2.gz AQOUCONUPUJDCE-ZDUSSCGKSA-N 1 2 313.361 2.774 20 5 DFBDLO Cn1ccnc1[C@H]([NH2+]C1CC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000353587806 428610005 /nfs/dbraw/zinc/61/00/05/428610005.db2.gz IYXHMKVNETXWGR-CYBMUJFWSA-N 1 2 322.315 2.805 20 5 DFBDLO CN(C)c1ccc(NCc2ccc([N+](=O)[O-])cc2Cl)[nH+]c1 ZINC000344323850 428630523 /nfs/dbraw/zinc/63/05/23/428630523.db2.gz JUTDNPWCDTZZSK-UHFFFAOYSA-N 1 2 306.753 3.321 20 5 DFBDLO COc1cc(C[NH2+][C@@H](C)c2nnc(C)s2)ccc1[N+](=O)[O-] ZINC000353651697 428638183 /nfs/dbraw/zinc/63/81/83/428638183.db2.gz DHPTYJGLMQMFRV-QMMMGPOBSA-N 1 2 308.363 2.614 20 5 DFBDLO Cc1cn2c([nH+]1)CN(Cc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC000374644396 428721975 /nfs/dbraw/zinc/72/19/75/428721975.db2.gz GUOURPNJLOSYLT-UHFFFAOYSA-N 1 2 306.753 2.769 20 5 DFBDLO Cc1cnc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000348399823 428731600 /nfs/dbraw/zinc/73/16/00/428731600.db2.gz DLYLJJNXAYFXBT-WDEREUQCSA-N 1 2 318.333 2.569 20 5 DFBDLO Nc1c(F)c(NCCc2cn3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000348721968 428820395 /nfs/dbraw/zinc/82/03/95/428820395.db2.gz QRXRVXZTFPSHLI-UHFFFAOYSA-N 1 2 315.308 2.618 20 5 DFBDLO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000354102075 428863096 /nfs/dbraw/zinc/86/30/96/428863096.db2.gz YHQSRAPRCMBLGC-HNNXBMFYSA-N 1 2 319.405 2.819 20 5 DFBDLO CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000354102075 428863102 /nfs/dbraw/zinc/86/31/02/428863102.db2.gz YHQSRAPRCMBLGC-HNNXBMFYSA-N 1 2 319.405 2.819 20 5 DFBDLO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000363216121 428884983 /nfs/dbraw/zinc/88/49/83/428884983.db2.gz ANXRTPKCKMKSIA-SNVBAGLBSA-N 1 2 321.406 2.825 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)cs1 ZINC000411934772 428886877 /nfs/dbraw/zinc/88/68/77/428886877.db2.gz HUBILEKWNLLYSM-KBPBESRZSA-N 1 2 304.371 2.964 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)cs1 ZINC000411934772 428886882 /nfs/dbraw/zinc/88/68/82/428886882.db2.gz HUBILEKWNLLYSM-KBPBESRZSA-N 1 2 304.371 2.964 20 5 DFBDLO CC(C)n1cc(C(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)nn1 ZINC000421397599 428993291 /nfs/dbraw/zinc/99/32/91/428993291.db2.gz DSMHPGCTNHPFGZ-UHFFFAOYSA-N 1 2 321.356 2.931 20 5 DFBDLO CC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000412266710 429001457 /nfs/dbraw/zinc/00/14/57/429001457.db2.gz GLSKAKGZTZAGJA-MJBXVCDLSA-N 1 2 314.345 2.689 20 5 DFBDLO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000423719572 429004586 /nfs/dbraw/zinc/00/45/86/429004586.db2.gz CKEGTMDXGIBVIM-RYUDHWBXSA-N 1 2 307.350 2.537 20 5 DFBDLO O=C(Nc1c[nH+]c2n1CCCC2)c1ccc(F)cc1[N+](=O)[O-] ZINC000452331880 429095494 /nfs/dbraw/zinc/09/54/94/429095494.db2.gz FTHABVQTWHAVMX-UHFFFAOYSA-N 1 2 304.281 2.519 20 5 DFBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2ccc([N+](=O)[O-])s2)CC1(C)C ZINC000452451673 429116308 /nfs/dbraw/zinc/11/63/08/429116308.db2.gz MKYNCQPJIKWURY-NSHDSACASA-N 1 2 320.374 2.613 20 5 DFBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@](F)(c3ccc(F)cc3)C2)n1 ZINC000369206957 275040421 /nfs/dbraw/zinc/04/04/21/275040421.db2.gz ONKHMMFYDYEAIU-OAHLLOKOSA-N 1 2 322.315 2.501 20 5 DFBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@](F)(c3ccc(F)cc3)C2)n1 ZINC000369206957 275040422 /nfs/dbraw/zinc/04/04/22/275040422.db2.gz ONKHMMFYDYEAIU-OAHLLOKOSA-N 1 2 322.315 2.501 20 5 DFBDLO O=[N+]([O-])c1cn(Cc2ccc(-n3cc[nH+]c3)cc2)nc1C1CC1 ZINC000436195925 429187797 /nfs/dbraw/zinc/18/77/97/429187797.db2.gz GUUUATNKXZCTKU-UHFFFAOYSA-N 1 2 309.329 2.903 20 5 DFBDLO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)CCc1c[nH+]c[nH]1 ZINC000456174507 429252713 /nfs/dbraw/zinc/25/27/13/429252713.db2.gz GYNSFWKBRJPWJN-UHFFFAOYSA-N 1 2 317.349 2.710 20 5 DFBDLO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000456174507 429252717 /nfs/dbraw/zinc/25/27/17/429252717.db2.gz GYNSFWKBRJPWJN-UHFFFAOYSA-N 1 2 317.349 2.710 20 5 DFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000456365059 429288891 /nfs/dbraw/zinc/28/88/91/429288891.db2.gz VUFSZXFFBQKZCZ-LLVKDONJSA-N 1 2 302.334 2.611 20 5 DFBDLO Cc1cc(N2CC[C@H](c3nc[nH]n3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000425286878 429257959 /nfs/dbraw/zinc/25/79/59/429257959.db2.gz RFIZJSQINMBZKG-NSHDSACASA-N 1 2 324.344 2.563 20 5 DFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000456343753 429281173 /nfs/dbraw/zinc/28/11/73/429281173.db2.gz GNRWOIIVKVFGQW-SECBINFHSA-N 1 2 322.752 2.956 20 5 DFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(C(F)F)no1 ZINC000425458158 429301555 /nfs/dbraw/zinc/30/15/55/429301555.db2.gz LXHDBPWQIGBAIB-UHFFFAOYSA-N 1 2 312.276 2.590 20 5 DFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(C(F)F)no1 ZINC000425458158 429301558 /nfs/dbraw/zinc/30/15/58/429301558.db2.gz LXHDBPWQIGBAIB-UHFFFAOYSA-N 1 2 312.276 2.590 20 5 DFBDLO COC(=O)[C@@H](CC(C)C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449256773 429367748 /nfs/dbraw/zinc/36/77/48/429367748.db2.gz JVSWDKPBLPASEO-GXTWGEPZSA-N 1 2 308.378 2.703 20 5 DFBDLO CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000449562885 429450354 /nfs/dbraw/zinc/45/03/54/429450354.db2.gz OZADTLCLOHOVNJ-NSHDSACASA-N 1 2 304.350 2.671 20 5 DFBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1cnc(C3CC3)nc1)C2 ZINC000519526466 429461633 /nfs/dbraw/zinc/46/16/33/429461633.db2.gz SULGYTLJSMYBDV-UHFFFAOYSA-N 1 2 310.357 2.821 20 5 DFBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1cnc(C3CC3)nc1)C2 ZINC000519526466 429461637 /nfs/dbraw/zinc/46/16/37/429461637.db2.gz SULGYTLJSMYBDV-UHFFFAOYSA-N 1 2 310.357 2.821 20 5 DFBDLO CCCn1ccnc1-c1cccc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])c1 ZINC000366141632 429425242 /nfs/dbraw/zinc/42/52/42/429425242.db2.gz BYBDHQFNPNGQHS-KGLIPLIRSA-N 1 2 314.345 2.564 20 5 DFBDLO CCCn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])c1 ZINC000366141632 429425248 /nfs/dbraw/zinc/42/52/48/429425248.db2.gz BYBDHQFNPNGQHS-KGLIPLIRSA-N 1 2 314.345 2.564 20 5 DFBDLO CC[C@H]1C(=O)N(CC)CC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000428439331 429521811 /nfs/dbraw/zinc/52/18/11/429521811.db2.gz CFGUGMHUCCSDFW-VIHMKRCTSA-N 1 2 317.389 2.551 20 5 DFBDLO CC[C@H]1C(=O)N(CC)CC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000428439331 429521815 /nfs/dbraw/zinc/52/18/15/429521815.db2.gz CFGUGMHUCCSDFW-VIHMKRCTSA-N 1 2 317.389 2.551 20 5 DFBDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000492371267 429522765 /nfs/dbraw/zinc/52/27/65/429522765.db2.gz ZCAYEEVRBMMJTH-BCPZQOPPSA-N 1 2 314.345 2.702 20 5 DFBDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000492493926 429550713 /nfs/dbraw/zinc/55/07/13/429550713.db2.gz PHGFBASVKHMLIE-VOTSOKGWSA-N 1 2 300.318 2.772 20 5 DFBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000450000569 429551669 /nfs/dbraw/zinc/55/16/69/429551669.db2.gz VJXRNNJBXGCXAA-TXEJJXNPSA-N 1 2 314.345 2.509 20 5 DFBDLO C[C@@H]1C[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449921075 429539183 /nfs/dbraw/zinc/53/91/83/429539183.db2.gz DXVYGYPYMPPAHB-NWDGAFQWSA-N 1 2 314.345 2.651 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC[C@@H]1CC(C)C ZINC000430192969 429661021 /nfs/dbraw/zinc/66/10/21/429661021.db2.gz DXLXJIMLRMFGDF-HNNXBMFYSA-N 1 2 308.378 2.850 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCOC[C@@H]1CC(C)C ZINC000430192969 429661026 /nfs/dbraw/zinc/66/10/26/429661026.db2.gz DXLXJIMLRMFGDF-HNNXBMFYSA-N 1 2 308.378 2.850 20 5 DFBDLO CC[C@H]([NH2+]Cc1nccc(OC)n1)c1cccc([N+](=O)[O-])c1 ZINC000450678675 429676449 /nfs/dbraw/zinc/67/64/49/429676449.db2.gz IIQGWRQKDRIYCO-ZDUSSCGKSA-N 1 2 302.334 2.634 20 5 DFBDLO COC(=O)c1coc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000450683409 429677738 /nfs/dbraw/zinc/67/77/38/429677738.db2.gz PXWVAAXHJSMVEH-SNVBAGLBSA-N 1 2 319.317 2.529 20 5 DFBDLO CCn1cc[nH+]c1[C@@H](C)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000450831407 429707821 /nfs/dbraw/zinc/70/78/21/429707821.db2.gz PRVFXGPIOOPVFR-MRVPVSSYSA-N 1 2 318.362 2.989 20 5 DFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493242872 429719576 /nfs/dbraw/zinc/71/95/76/429719576.db2.gz WAXHVGDHZXWQNM-PWWFUAJNSA-N 1 2 314.345 2.702 20 5 DFBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1c[nH+]c(C)cc1C ZINC000450913369 429728042 /nfs/dbraw/zinc/72/80/42/429728042.db2.gz UVHZUERUTHSVBW-UHFFFAOYSA-N 1 2 314.345 2.578 20 5 DFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nnc(C2CC2)s1 ZINC000450972313 429741632 /nfs/dbraw/zinc/74/16/32/429741632.db2.gz IHDVENQBJGXVFQ-UHFFFAOYSA-N 1 2 318.402 2.998 20 5 DFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nnc(C2CC2)s1 ZINC000450972313 429741637 /nfs/dbraw/zinc/74/16/37/429741637.db2.gz IHDVENQBJGXVFQ-UHFFFAOYSA-N 1 2 318.402 2.998 20 5 DFBDLO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H]1CC1(C)C ZINC000451261848 429799080 /nfs/dbraw/zinc/79/90/80/429799080.db2.gz WMAFLRFJYGEWSC-AWEZNQCLSA-N 1 2 314.345 2.651 20 5 DFBDLO CC(C)c1ccc(CN2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000367968488 429756656 /nfs/dbraw/zinc/75/66/56/429756656.db2.gz YAXHNBFWXUNTJJ-UHFFFAOYSA-N 1 2 300.362 2.931 20 5 DFBDLO CC(C)=CCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451145328 429776127 /nfs/dbraw/zinc/77/61/27/429776127.db2.gz YUASOCVHNRODPD-UHFFFAOYSA-N 1 2 314.345 2.867 20 5 DFBDLO CO[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000451580363 429857740 /nfs/dbraw/zinc/85/77/40/429857740.db2.gz ZSIAQULTKNCLTB-LKFCYVNXSA-N 1 2 300.305 2.730 20 5 DFBDLO CO[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000451580363 429857743 /nfs/dbraw/zinc/85/77/43/429857743.db2.gz ZSIAQULTKNCLTB-LKFCYVNXSA-N 1 2 300.305 2.730 20 5 DFBDLO Cc1ccc(CCNc2ncnc3sc([N+](=O)[O-])cc32)c[nH+]1 ZINC000557574743 429945014 /nfs/dbraw/zinc/94/50/14/429945014.db2.gz NUJJHAWPFVQYQH-UHFFFAOYSA-N 1 2 315.358 2.958 20 5 DFBDLO COC(=O)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000543547170 430251478 /nfs/dbraw/zinc/25/14/78/430251478.db2.gz RUHUPTWQKOOGEB-MRXNPFEDSA-N 1 2 320.389 2.849 20 5 DFBDLO CC(C)Oc1nc(N[C@H]2C[C@H](C)n3cc[nH+]c32)ccc1[N+](=O)[O-] ZINC000566482517 430265897 /nfs/dbraw/zinc/26/58/97/430265897.db2.gz OVEFXPQODHGBDK-QWRGUYRKSA-N 1 2 317.349 3.091 20 5 DFBDLO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582796397 430336665 /nfs/dbraw/zinc/33/66/65/430336665.db2.gz OLNAOFSCGDERKB-ZIAGYGMSSA-N 1 2 313.361 2.607 20 5 DFBDLO COc1cc(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000568760268 430389180 /nfs/dbraw/zinc/38/91/80/430389180.db2.gz QERCYJPGBKIIEI-GFCCVEGCSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1cc(C[N@H+]2C[C@@H](C)OC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000568760268 430389182 /nfs/dbraw/zinc/38/91/82/430389182.db2.gz QERCYJPGBKIIEI-GFCCVEGCSA-N 1 2 306.362 2.747 20 5 DFBDLO Cc1cc(C[NH+]2CCN(c3cccc(C)c3[N+](=O)[O-])CC2)on1 ZINC000302475798 278687058 /nfs/dbraw/zinc/68/70/58/278687058.db2.gz FAFWCCICQVBSKW-UHFFFAOYSA-N 1 2 316.361 2.522 20 5 DFBDLO CN(C)c1[nH+]cccc1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000440599232 297158577 /nfs/dbraw/zinc/15/85/77/297158577.db2.gz XLUBGJZOFHAZLF-UHFFFAOYSA-N 1 2 308.288 2.946 20 5 DFBDLO Cc1cccc(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC000444655707 297243855 /nfs/dbraw/zinc/24/38/55/297243855.db2.gz AWOHTKLDSVUVSV-UHFFFAOYSA-N 1 2 311.345 2.807 20 5 DFBDLO Cc1cccc(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 ZINC000444655707 297243856 /nfs/dbraw/zinc/24/38/56/297243856.db2.gz AWOHTKLDSVUVSV-UHFFFAOYSA-N 1 2 311.345 2.807 20 5 DFBDLO Cc1c(CN[C@H](c2[nH]cc[nH+]2)c2ccccn2)cccc1[N+](=O)[O-] ZINC000447597782 297310358 /nfs/dbraw/zinc/31/03/58/297310358.db2.gz GWHCADXTYJTEOS-INIZCTEOSA-N 1 2 323.356 2.901 20 5 DFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCc1ccoc1 ZINC000447813042 297318053 /nfs/dbraw/zinc/31/80/53/297318053.db2.gz PMMDLLXHWCWVOT-UHFFFAOYSA-N 1 2 317.345 2.632 20 5 DFBDLO CC[C@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447812585 297318121 /nfs/dbraw/zinc/31/81/21/297318121.db2.gz MQQJTAKWMCRNPX-AWEZNQCLSA-N 1 2 319.405 2.663 20 5 DFBDLO CC1(C)C[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448969661 297384703 /nfs/dbraw/zinc/38/47/03/297384703.db2.gz VVHVJPBOTKCFPS-GFCCVEGCSA-N 1 2 314.345 2.556 20 5 DFBDLO CCC[C@@H]1C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450002974 297573513 /nfs/dbraw/zinc/57/35/13/297573513.db2.gz FKNAQNKCLMTJIE-YPMHNXCESA-N 1 2 314.345 2.699 20 5 DFBDLO CC(C)OC(=O)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000451611262 297844336 /nfs/dbraw/zinc/84/43/36/297844336.db2.gz UXNPCCLPVFKUDX-HNNXBMFYSA-N 1 2 308.378 2.703 20 5 DFBDLO CC[C@@H]1C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452765417 298020729 /nfs/dbraw/zinc/02/07/29/298020729.db2.gz KQXUHWMSMLGJTL-YPMHNXCESA-N 1 2 314.345 2.556 20 5 DFBDLO C[C@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000454339141 298158416 /nfs/dbraw/zinc/15/84/16/298158416.db2.gz XKOXHMHIKMOEJE-JOYOIKCWSA-N 1 2 301.306 2.619 20 5 DFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000456397258 298518291 /nfs/dbraw/zinc/51/82/91/298518291.db2.gz SQEBOHKUGWFBBH-LLVKDONJSA-N 1 2 302.334 2.611 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)c1 ZINC000456434574 298529063 /nfs/dbraw/zinc/52/90/63/298529063.db2.gz VAEMFEPHBAEPQS-CMPLNLGQSA-N 1 2 300.318 2.536 20 5 DFBDLO Cc1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)no1 ZINC000517549447 300398764 /nfs/dbraw/zinc/39/87/64/300398764.db2.gz UBVSJCQASVINDS-UHFFFAOYSA-N 1 2 313.260 2.782 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(c2ccccc2F)CC1 ZINC000530863536 301068729 /nfs/dbraw/zinc/06/87/29/301068729.db2.gz QHXHQPIJEMNUDL-UHFFFAOYSA-N 1 2 318.352 2.847 20 5 DFBDLO Cc1cc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc([N+](=O)[O-])c1 ZINC000120157710 301091164 /nfs/dbraw/zinc/09/11/64/301091164.db2.gz CVNIHMLYMGGZFO-CQSZACIVSA-N 1 2 314.345 2.994 20 5 DFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000533290348 301193604 /nfs/dbraw/zinc/19/36/04/301193604.db2.gz AWEXIWDRXUJSGG-GRYCIOLGSA-N 1 2 323.418 2.748 20 5 DFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000533290348 301193607 /nfs/dbraw/zinc/19/36/07/301193607.db2.gz AWEXIWDRXUJSGG-GRYCIOLGSA-N 1 2 323.418 2.748 20 5 DFBDLO Cc1cnc(N2CC[NH+](Cc3ccsc3)CC2)c([N+](=O)[O-])c1 ZINC000534527255 301233592 /nfs/dbraw/zinc/23/35/92/301233592.db2.gz AOIQKPVWQFWVDW-UHFFFAOYSA-N 1 2 318.402 2.682 20 5 DFBDLO Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c(C)c[nH+]1 ZINC000535036679 301244572 /nfs/dbraw/zinc/24/45/72/301244572.db2.gz ZVCRGZSWEZNAPA-UHFFFAOYSA-N 1 2 319.748 2.863 20 5 DFBDLO CN(CCCn1cc[nH+]c1)c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000564891701 302169552 /nfs/dbraw/zinc/16/95/52/302169552.db2.gz GAXDGPKYKPKDDM-UHFFFAOYSA-N 1 2 315.377 2.592 20 5 DFBDLO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000181270497 316055412 /nfs/dbraw/zinc/05/54/12/316055412.db2.gz RJHVNUWUFCVNPP-JTQLQIEISA-N 1 2 312.675 2.603 20 5 DFBDLO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000181270497 316055417 /nfs/dbraw/zinc/05/54/17/316055417.db2.gz RJHVNUWUFCVNPP-JTQLQIEISA-N 1 2 312.675 2.603 20 5 DFBDLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183235283 316135372 /nfs/dbraw/zinc/13/53/72/316135372.db2.gz XZEXNIGSOWQYNY-OAHLLOKOSA-N 1 2 306.362 2.821 20 5 DFBDLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183235283 316135374 /nfs/dbraw/zinc/13/53/74/316135374.db2.gz XZEXNIGSOWQYNY-OAHLLOKOSA-N 1 2 306.362 2.821 20 5 DFBDLO Cn1ccnc1[C@@H]([NH2+]C1CC(C)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000449375834 317033058 /nfs/dbraw/zinc/03/30/58/317033058.db2.gz JNBFYVRIEIRGPW-UGWHAMFMSA-N 1 2 318.352 2.898 20 5 DFBDLO Cn1ccnc1[C@H]([NH2+]C1CC(C)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000449377818 317033661 /nfs/dbraw/zinc/03/36/61/317033661.db2.gz UXUSJAIIGTZLIS-CXOJTPOUSA-N 1 2 318.352 2.898 20 5 DFBDLO Cn1ccnc1[C@@H]([NH2+]C1CC(C)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000449377819 317034003 /nfs/dbraw/zinc/03/40/03/317034003.db2.gz UXUSJAIIGTZLIS-UGWHAMFMSA-N 1 2 318.352 2.898 20 5 DFBDLO CCC1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCC1 ZINC000450094354 317058851 /nfs/dbraw/zinc/05/88/51/317058851.db2.gz XAAZWQKAFBIQSC-UHFFFAOYSA-N 1 2 314.345 2.843 20 5 DFBDLO CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(F)F ZINC000452265305 317126885 /nfs/dbraw/zinc/12/68/85/317126885.db2.gz OQMDAXAQJGRITI-JTQLQIEISA-N 1 2 324.287 2.554 20 5 DFBDLO CC(C)[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C1(CO)CCCC1 ZINC000453618050 317193950 /nfs/dbraw/zinc/19/39/50/317193950.db2.gz PLRNNEHOCCOUSM-INIZCTEOSA-N 1 2 322.405 2.967 20 5 DFBDLO O=[N+]([O-])c1cnc2ccccc2c1NCc1ccn2cc[nH+]c2c1 ZINC000488108970 317367428 /nfs/dbraw/zinc/36/74/28/317367428.db2.gz AOILNSOEVFPTJL-UHFFFAOYSA-N 1 2 319.324 2.825 20 5 DFBDLO COc1ccc(C[N@@H+]2CCOC[C@@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000574635241 318029702 /nfs/dbraw/zinc/02/97/02/318029702.db2.gz JVYBBNYSOZRVIG-OAHLLOKOSA-N 1 2 306.362 2.604 20 5 DFBDLO COc1ccc(C[N@H+]2CCOC[C@@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000574635241 318029705 /nfs/dbraw/zinc/02/97/05/318029705.db2.gz JVYBBNYSOZRVIG-OAHLLOKOSA-N 1 2 306.362 2.604 20 5 DFBDLO Cc1c[nH]c(C(C)(C)NC(=O)Cc2cccc([N+](=O)[O-])c2C)[nH+]1 ZINC000574884373 318047415 /nfs/dbraw/zinc/04/74/15/318047415.db2.gz QHRKPJSALAIOGU-UHFFFAOYSA-N 1 2 316.361 2.529 20 5 DFBDLO C[C@@H](O)[C@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000578736893 318281101 /nfs/dbraw/zinc/28/11/01/318281101.db2.gz RBRGMDBLUHCIKZ-YPMHNXCESA-N 1 2 301.346 2.740 20 5 DFBDLO Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c(C)c[nH+]1 ZINC000580820118 323438710 /nfs/dbraw/zinc/43/87/10/323438710.db2.gz LWYSXUZDFQJJBR-LSDHHAIUSA-N 1 2 311.341 2.771 20 5 DFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000584588611 337370241 /nfs/dbraw/zinc/37/02/41/337370241.db2.gz RKDZEOLYYZGHPN-SWLSCSKDSA-N 1 2 308.403 2.864 20 5 DFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000584588611 337370242 /nfs/dbraw/zinc/37/02/42/337370242.db2.gz RKDZEOLYYZGHPN-SWLSCSKDSA-N 1 2 308.403 2.864 20 5 DFBDLO CCO[C@@H](C)c1noc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000173449534 500704554 /nfs/dbraw/zinc/70/45/54/500704554.db2.gz MBEXUVUPOKZGSF-MNOVXSKESA-N 1 2 320.349 2.926 20 5 DFBDLO Cc1nc(NCCCc2[nH]c3ccccc3[nH+]2)ncc1[N+](=O)[O-] ZINC000296641938 534489039 /nfs/dbraw/zinc/48/90/39/534489039.db2.gz WOLPGXUTLOEZEK-UHFFFAOYSA-N 1 2 312.333 2.614 20 5 DFBDLO CCOc1cccc(N2CCn3c(C)c(C)[nH+]c3C2)c1[N+](=O)[O-] ZINC000364132169 521384846 /nfs/dbraw/zinc/38/48/46/521384846.db2.gz URYIKTKILIMHIM-UHFFFAOYSA-N 1 2 316.361 2.827 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cs1 ZINC000156315803 527330140 /nfs/dbraw/zinc/33/01/40/527330140.db2.gz MEZNJVACBYUTQI-CYBMUJFWSA-N 1 2 305.359 2.705 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)cs1 ZINC000156315803 527330148 /nfs/dbraw/zinc/33/01/48/527330148.db2.gz MEZNJVACBYUTQI-CYBMUJFWSA-N 1 2 305.359 2.705 20 5 DFBDLO CC(C)c1nnc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[nH]1 ZINC000294821245 528441102 /nfs/dbraw/zinc/44/11/02/528441102.db2.gz OVYQTIGTCFKXER-UHFFFAOYSA-N 1 2 309.757 2.780 20 5 DFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCn2cc[nH+]c2C1 ZINC000355395102 535022695 /nfs/dbraw/zinc/02/26/95/535022695.db2.gz UYVGCGSAJJQDJH-UHFFFAOYSA-N 1 2 316.361 2.594 20 5 DFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCn2ccnc2C1 ZINC000355395102 535022702 /nfs/dbraw/zinc/02/27/02/535022702.db2.gz UYVGCGSAJJQDJH-UHFFFAOYSA-N 1 2 316.361 2.594 20 5 DFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCn2ccnc2C1 ZINC000355395102 535022707 /nfs/dbraw/zinc/02/27/07/535022707.db2.gz UYVGCGSAJJQDJH-UHFFFAOYSA-N 1 2 316.361 2.594 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)cs1 ZINC000286551251 219050618 /nfs/dbraw/zinc/05/06/18/219050618.db2.gz OPDVTILQFRYAHO-UWVGGRQHSA-N 1 2 324.324 2.649 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)cs1 ZINC000286551251 219050620 /nfs/dbraw/zinc/05/06/20/219050620.db2.gz OPDVTILQFRYAHO-UWVGGRQHSA-N 1 2 324.324 2.649 20 5 DFBDLO CC[C@@H](CO)N(C)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000295008115 529505132 /nfs/dbraw/zinc/50/51/32/529505132.db2.gz SOMMPQCWXSHKIR-ZDUSSCGKSA-N 1 2 316.361 2.567 20 5 DFBDLO CC(C)(C)O[C@H]1C[C@@H]([NH+]=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)C1 ZINC000591988180 398368568 /nfs/dbraw/zinc/36/85/68/398368568.db2.gz PQBMHVAUEQZEBA-JGZJWPJOSA-N 1 2 304.350 2.651 20 5 DFBDLO CCOC(=O)[C@H](C)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413170573 295682810 /nfs/dbraw/zinc/68/28/10/295682810.db2.gz BVEPMPARMHDFGB-SNVBAGLBSA-N 1 2 303.318 2.754 20 5 DFBDLO Cc1cc(NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000596298637 398379944 /nfs/dbraw/zinc/37/99/44/398379944.db2.gz JXWBXZIZYKENPI-MXWKQRLJSA-N 1 2 313.423 2.874 20 5 DFBDLO Cc1cc(NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000596298637 398379947 /nfs/dbraw/zinc/37/99/47/398379947.db2.gz JXWBXZIZYKENPI-MXWKQRLJSA-N 1 2 313.423 2.874 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000092487164 185322125 /nfs/dbraw/zinc/32/21/25/185322125.db2.gz CVIJYJSUJSQHHN-WCQYABFASA-N 1 2 324.377 2.611 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000092487164 185322126 /nfs/dbraw/zinc/32/21/26/185322126.db2.gz CVIJYJSUJSQHHN-WCQYABFASA-N 1 2 324.377 2.611 20 5 DFBDLO CC[C@H]([NH2+]Cc1nnc2n1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000181553830 199316623 /nfs/dbraw/zinc/31/66/23/199316623.db2.gz KFWZGTAVZXOORK-AWEZNQCLSA-N 1 2 315.377 2.764 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCCCn1cc[nH+]c1 ZINC000584773980 398410574 /nfs/dbraw/zinc/41/05/74/398410574.db2.gz GXSURJUUMSJJEO-UHFFFAOYSA-N 1 2 316.361 2.618 20 5 DFBDLO Cn1cnnc1[C@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255326369 398424651 /nfs/dbraw/zinc/42/46/51/398424651.db2.gz ATUPJMCXTZVWIF-IJVDHGTGSA-N 1 2 313.361 2.574 20 5 DFBDLO Cn1cnnc1[C@H]1CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255326369 398424652 /nfs/dbraw/zinc/42/46/52/398424652.db2.gz ATUPJMCXTZVWIF-IJVDHGTGSA-N 1 2 313.361 2.574 20 5 DFBDLO COc1ncncc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000592498166 398434779 /nfs/dbraw/zinc/43/47/79/398434779.db2.gz ZGEZJIWCGLNTSU-UHFFFAOYSA-N 1 2 316.361 2.804 20 5 DFBDLO COc1ncncc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000592498166 398434781 /nfs/dbraw/zinc/43/47/81/398434781.db2.gz ZGEZJIWCGLNTSU-UHFFFAOYSA-N 1 2 316.361 2.804 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000596639761 398468868 /nfs/dbraw/zinc/46/88/68/398468868.db2.gz YUJHWTFVLXURIL-SNVBAGLBSA-N 1 2 303.322 2.519 20 5 DFBDLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026346597 282372813 /nfs/dbraw/zinc/37/28/13/282372813.db2.gz NFHIMWJCNFOYRH-UKRRQHHQSA-N 1 2 319.405 2.722 20 5 DFBDLO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026346597 282372814 /nfs/dbraw/zinc/37/28/14/282372814.db2.gz NFHIMWJCNFOYRH-UKRRQHHQSA-N 1 2 319.405 2.722 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000305221811 398505790 /nfs/dbraw/zinc/50/57/90/398505790.db2.gz JPSUESDSQCMFCG-QGZVFWFLSA-N 1 2 316.332 2.658 20 5 DFBDLO Cc1cc(NC(=O)N[C@@H](C)c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000596822320 398507596 /nfs/dbraw/zinc/50/75/96/398507596.db2.gz CFBUNJNOOBFPOV-JTQLQIEISA-N 1 2 303.322 2.519 20 5 DFBDLO CCOc1ccc(C(=O)Nc2cc[nH+]c(C)c2)cc1[N+](=O)[O-] ZINC000073069213 282520091 /nfs/dbraw/zinc/52/00/91/282520091.db2.gz BOJAERJQXPROCY-UHFFFAOYSA-N 1 2 301.302 2.949 20 5 DFBDLO Cn1c[nH+]cc1[C@H]1CCCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000589128765 398528887 /nfs/dbraw/zinc/52/88/87/398528887.db2.gz JMUXEZIBBJIXLS-CQSZACIVSA-N 1 2 314.345 2.696 20 5 DFBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)CCCn1cc[nH+]c1 ZINC000589808841 398577344 /nfs/dbraw/zinc/57/73/44/398577344.db2.gz WHKXUUMAHOALAU-UHFFFAOYSA-N 1 2 302.334 2.773 20 5 DFBDLO Cc1c(C[N@H+]2C[C@H](C)OC3(CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000279894922 215215802 /nfs/dbraw/zinc/21/58/02/215215802.db2.gz UYKHRNTVSMPEBM-ZDUSSCGKSA-N 1 2 320.389 2.673 20 5 DFBDLO Cc1c(C[N@@H+]2C[C@H](C)OC3(CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000279894922 215215806 /nfs/dbraw/zinc/21/58/06/215215806.db2.gz UYKHRNTVSMPEBM-ZDUSSCGKSA-N 1 2 320.389 2.673 20 5 DFBDLO Cc1ccoc1C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589938157 398584236 /nfs/dbraw/zinc/58/42/36/398584236.db2.gz GQHOZYDZDROKDP-UHFFFAOYSA-N 1 2 304.302 2.557 20 5 DFBDLO COCC1(C2CCC2)C[NH+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000597195272 398587194 /nfs/dbraw/zinc/58/71/94/398587194.db2.gz FSIDYZIAEPIRPZ-UHFFFAOYSA-N 1 2 308.353 2.982 20 5 DFBDLO CCn1c[nH+]cc1[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000589953916 398586023 /nfs/dbraw/zinc/58/60/23/398586023.db2.gz AMXDILYQYVDNRM-LLVKDONJSA-N 1 2 318.333 2.772 20 5 DFBDLO Cc1cc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccccc2[N+](=O)[O-])no1 ZINC000072514937 398618423 /nfs/dbraw/zinc/61/84/23/398618423.db2.gz SDAXOJRCOVBZAU-NSHDSACASA-N 1 2 318.333 2.523 20 5 DFBDLO Cc1cc(NC(=O)C[N@H+](C)[C@@H](C)c2ccccc2[N+](=O)[O-])no1 ZINC000072514937 398618424 /nfs/dbraw/zinc/61/84/24/398618424.db2.gz SDAXOJRCOVBZAU-NSHDSACASA-N 1 2 318.333 2.523 20 5 DFBDLO C[C@H]1CCN(c2c(Cl)cncc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000590587068 398635687 /nfs/dbraw/zinc/63/56/87/398635687.db2.gz VMMKDXKBZYNICI-GWCFXTLKSA-N 1 2 321.768 2.927 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC(C4(O)CC4)CC3)c2c1 ZINC000593481383 398641723 /nfs/dbraw/zinc/64/17/23/398641723.db2.gz GLYSFAMCMKFUHG-UHFFFAOYSA-N 1 2 313.357 2.884 20 5 DFBDLO CC[N@H+](CCc1nccs1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093764405 398643365 /nfs/dbraw/zinc/64/33/65/398643365.db2.gz OKQPYWPMQWTFHD-UHFFFAOYSA-N 1 2 307.375 2.822 20 5 DFBDLO CC[N@@H+](CCc1nccs1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093764405 398643369 /nfs/dbraw/zinc/64/33/69/398643369.db2.gz OKQPYWPMQWTFHD-UHFFFAOYSA-N 1 2 307.375 2.822 20 5 DFBDLO COC(=O)[C@]1(C)CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000189988062 186259604 /nfs/dbraw/zinc/25/96/04/186259604.db2.gz VSRHBOUFXBWSIE-WHWKNOJMSA-N 1 2 304.346 2.636 20 5 DFBDLO COC(=O)[C@]1(C)CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000189988062 186259605 /nfs/dbraw/zinc/25/96/05/186259605.db2.gz VSRHBOUFXBWSIE-WHWKNOJMSA-N 1 2 304.346 2.636 20 5 DFBDLO Cc1cc(N2CC[C@H](CNc3cccc[nH+]3)C2)ncc1[N+](=O)[O-] ZINC000266860284 186362433 /nfs/dbraw/zinc/36/24/33/186362433.db2.gz WPMMEYKOUZNYFO-CYBMUJFWSA-N 1 2 313.361 2.632 20 5 DFBDLO C[C@H]1CSCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000172435625 198096321 /nfs/dbraw/zinc/09/63/21/198096321.db2.gz DYRQVJDWPGRPRM-JTQLQIEISA-N 1 2 320.374 2.582 20 5 DFBDLO C[C@H]1CSCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000172435625 198096323 /nfs/dbraw/zinc/09/63/23/198096323.db2.gz DYRQVJDWPGRPRM-JTQLQIEISA-N 1 2 320.374 2.582 20 5 DFBDLO CCOc1cc(C[NH2+][C@H](C)c2ccn(C)n2)ccc1[N+](=O)[O-] ZINC000459784910 299192503 /nfs/dbraw/zinc/19/25/03/299192503.db2.gz JTGBDOZOMPCVGA-LLVKDONJSA-N 1 2 304.350 2.578 20 5 DFBDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cc(O)ccc2[N+](=O)[O-])on1 ZINC000331878448 234227593 /nfs/dbraw/zinc/22/75/93/234227593.db2.gz ZFUMFSOVYKNHLI-AWEZNQCLSA-N 1 2 303.318 2.934 20 5 DFBDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2cc(O)ccc2[N+](=O)[O-])on1 ZINC000331878448 234227595 /nfs/dbraw/zinc/22/75/95/234227595.db2.gz ZFUMFSOVYKNHLI-AWEZNQCLSA-N 1 2 303.318 2.934 20 5 DFBDLO Cc1nc(C)c(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)s1 ZINC000331952605 234313511 /nfs/dbraw/zinc/31/35/11/234313511.db2.gz IJDMPSIVQVWNHI-UHFFFAOYSA-N 1 2 304.375 2.621 20 5 DFBDLO Cc1nc(C)c(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)s1 ZINC000331952605 234313515 /nfs/dbraw/zinc/31/35/15/234313515.db2.gz IJDMPSIVQVWNHI-UHFFFAOYSA-N 1 2 304.375 2.621 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCNc2cccc[nH+]2)c1 ZINC000173828796 198257496 /nfs/dbraw/zinc/25/74/96/198257496.db2.gz GZOAYOOHRHTGHX-UHFFFAOYSA-N 1 2 314.345 2.530 20 5 DFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000597863264 398707131 /nfs/dbraw/zinc/70/71/31/398707131.db2.gz MPVJEHFTECNDGD-UHFFFAOYSA-N 1 2 320.374 2.702 20 5 DFBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000597863264 398707135 /nfs/dbraw/zinc/70/71/35/398707135.db2.gz MPVJEHFTECNDGD-UHFFFAOYSA-N 1 2 320.374 2.702 20 5 DFBDLO CC[C@H](C)CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000597976335 398731483 /nfs/dbraw/zinc/73/14/83/398731483.db2.gz UVGUCKYEGWFSHF-LBPRGKRZSA-N 1 2 316.361 2.947 20 5 DFBDLO CC[C@H](Nc1nc[nH+]c2c1OCCN2)c1cccc([N+](=O)[O-])c1 ZINC000591150270 398732578 /nfs/dbraw/zinc/73/25/78/398732578.db2.gz QHIHLCRBCBMYTK-LBPRGKRZSA-N 1 2 315.333 2.752 20 5 DFBDLO CC[C@H](Nc1[nH+]cnc2c1OCCN2)c1cccc([N+](=O)[O-])c1 ZINC000591150270 398732581 /nfs/dbraw/zinc/73/25/81/398732581.db2.gz QHIHLCRBCBMYTK-LBPRGKRZSA-N 1 2 315.333 2.752 20 5 DFBDLO CCC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OCC)CCO1 ZINC000131387756 283082851 /nfs/dbraw/zinc/08/28/51/283082851.db2.gz FTGGQAAOSMQLLD-OAHLLOKOSA-N 1 2 308.378 2.994 20 5 DFBDLO CCC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OCC)CCO1 ZINC000131387756 283082856 /nfs/dbraw/zinc/08/28/56/283082856.db2.gz FTGGQAAOSMQLLD-OAHLLOKOSA-N 1 2 308.378 2.994 20 5 DFBDLO COc1c(C)c[nH+]c(CN(C)c2cc(C)c([N+](=O)[O-])cn2)c1C ZINC000074744704 191354950 /nfs/dbraw/zinc/35/49/50/191354950.db2.gz VFVXMXQGRMIPCX-UHFFFAOYSA-N 1 2 316.361 2.955 20 5 DFBDLO O=[N+]([O-])c1cc(C[NH+]2CCN(c3ccccc3O)CC2)cs1 ZINC000047264558 398742575 /nfs/dbraw/zinc/74/25/75/398742575.db2.gz IGRWGVCFZUGENP-UHFFFAOYSA-N 1 2 319.386 2.684 20 5 DFBDLO CC[N@H+](CC(=O)N1CCCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000047611173 398755296 /nfs/dbraw/zinc/75/52/96/398755296.db2.gz VWORBBOQKAJOIX-UHFFFAOYSA-N 1 2 319.405 2.819 20 5 DFBDLO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000047611173 398755298 /nfs/dbraw/zinc/75/52/98/398755298.db2.gz VWORBBOQKAJOIX-UHFFFAOYSA-N 1 2 319.405 2.819 20 5 DFBDLO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000081569849 192293075 /nfs/dbraw/zinc/29/30/75/192293075.db2.gz FVUFNJIPXAKIIK-LBPRGKRZSA-N 1 2 324.377 2.636 20 5 DFBDLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000081569849 192293077 /nfs/dbraw/zinc/29/30/77/192293077.db2.gz FVUFNJIPXAKIIK-LBPRGKRZSA-N 1 2 324.377 2.636 20 5 DFBDLO CCOc1cc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000276836844 213123974 /nfs/dbraw/zinc/12/39/74/213123974.db2.gz BVXZUYBIFUFSDP-ZFWWWQNUSA-N 1 2 306.362 2.747 20 5 DFBDLO CCOc1cc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000276836844 213123978 /nfs/dbraw/zinc/12/39/78/213123978.db2.gz BVXZUYBIFUFSDP-ZFWWWQNUSA-N 1 2 306.362 2.747 20 5 DFBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000598464989 398817150 /nfs/dbraw/zinc/81/71/50/398817150.db2.gz MWJMCOUHTSFVMN-SECBINFHSA-N 1 2 322.752 2.781 20 5 DFBDLO C[C@@H]([NH2+][C@H](C)c1cscn1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000594714100 398847268 /nfs/dbraw/zinc/84/72/68/398847268.db2.gz XOIKIKRAPNZXRH-NXEZZACHSA-N 1 2 320.374 2.729 20 5 DFBDLO CCN(CC)c1ccc(CNc2ncccc2[N+](=O)[O-])c[nH+]1 ZINC000076799608 398870100 /nfs/dbraw/zinc/87/01/00/398870100.db2.gz MYQKZCHCAJHRLW-UHFFFAOYSA-N 1 2 301.350 2.843 20 5 DFBDLO CCC[C@H](C(=O)OCC)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153220538 283358103 /nfs/dbraw/zinc/35/81/03/283358103.db2.gz ZMRQONGATFLECZ-OAHLLOKOSA-N 1 2 306.362 2.685 20 5 DFBDLO CCC[C@H](C(=O)OCC)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153220538 283358105 /nfs/dbraw/zinc/35/81/05/283358105.db2.gz ZMRQONGATFLECZ-OAHLLOKOSA-N 1 2 306.362 2.685 20 5 DFBDLO C[C@H]([NH2+]Cc1cn(C2CCC2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000594927183 398873552 /nfs/dbraw/zinc/87/35/52/398873552.db2.gz ZAINODPLGIVKBY-NSHDSACASA-N 1 2 301.350 2.762 20 5 DFBDLO C[C@H]([NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1cscn1 ZINC000594964845 398883061 /nfs/dbraw/zinc/88/30/61/398883061.db2.gz AITJROJFLPQGAB-VIFPVBQESA-N 1 2 321.358 2.673 20 5 DFBDLO Cc1c[nH+]ccc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000153522078 283372467 /nfs/dbraw/zinc/37/24/67/283372467.db2.gz MILSKSAPJSQSHK-UHFFFAOYSA-N 1 2 323.312 2.736 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1nccn1C ZINC000594997141 398888693 /nfs/dbraw/zinc/88/86/93/398888693.db2.gz YELFJMQHLCSVLZ-NSHDSACASA-N 1 2 304.350 2.578 20 5 DFBDLO Cc1cc(N[C@H](C)[C@H](C)CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000077227316 398890753 /nfs/dbraw/zinc/89/07/53/398890753.db2.gz PCIJTIGWPCTPFF-ZYHUDNBSSA-N 1 2 316.361 2.789 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc(F)cn1 ZINC000595016394 398892666 /nfs/dbraw/zinc/89/26/66/398892666.db2.gz JZGCDKWJMLGKTM-JTQLQIEISA-N 1 2 305.309 2.988 20 5 DFBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c1 ZINC000140815274 398892732 /nfs/dbraw/zinc/89/27/32/398892732.db2.gz WAZMMZMMJIDMQM-MRVPVSSYSA-N 1 2 306.347 2.531 20 5 DFBDLO C[C@H]1c2cccn2CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000051499262 425882974 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CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1cn[nH]c1 ZINC000610662188 399389831 /nfs/dbraw/zinc/38/98/31/399389831.db2.gz TZERSAVPVKSMTI-UHFFFAOYSA-N 1 2 304.350 2.737 20 5 DFBDLO Cc1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)ncn1 ZINC000611134784 399437684 /nfs/dbraw/zinc/43/76/84/399437684.db2.gz UBHXRNSPAMTBKG-UHFFFAOYSA-N 1 2 324.287 2.584 20 5 DFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000611179512 399442255 /nfs/dbraw/zinc/44/22/55/399442255.db2.gz DIYFKKGZTFAZHH-VHSXEESVSA-N 1 2 313.304 2.509 20 5 DFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](C(F)F)C1 ZINC000611179512 399442258 /nfs/dbraw/zinc/44/22/58/399442258.db2.gz DIYFKKGZTFAZHH-VHSXEESVSA-N 1 2 313.304 2.509 20 5 DFBDLO CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000602449328 399447592 /nfs/dbraw/zinc/44/75/92/399447592.db2.gz YYXLKYLXOWTVAE-LLVKDONJSA-N 1 2 304.350 2.617 20 5 DFBDLO CC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000602449328 399447596 /nfs/dbraw/zinc/44/75/96/399447596.db2.gz YYXLKYLXOWTVAE-LLVKDONJSA-N 1 2 304.350 2.617 20 5 DFBDLO Cn1cc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602442921 399444762 /nfs/dbraw/zinc/44/47/62/399444762.db2.gz ZECCSDHNKUSSBY-CQSZACIVSA-N 1 2 318.402 2.618 20 5 DFBDLO Cn1cc(C[N@H+]2CCSC[C@@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602442921 399444764 /nfs/dbraw/zinc/44/47/64/399444764.db2.gz ZECCSDHNKUSSBY-CQSZACIVSA-N 1 2 318.402 2.618 20 5 DFBDLO Cn1ccnc1[C@H](C1CC1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000602439716 399445492 /nfs/dbraw/zinc/44/54/92/399445492.db2.gz LULRBIWKIANYLP-HNNXBMFYSA-N 1 2 300.362 2.911 20 5 DFBDLO Cn1ccnc1[C@H](C1CC1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000602439716 399445493 /nfs/dbraw/zinc/44/54/93/399445493.db2.gz LULRBIWKIANYLP-HNNXBMFYSA-N 1 2 300.362 2.911 20 5 DFBDLO CN(Cc1ccccc1[N+](=O)[O-])[C@H](c1[nH+]ccn1C)C1CC1 ZINC000602439716 399445495 /nfs/dbraw/zinc/44/54/95/399445495.db2.gz LULRBIWKIANYLP-HNNXBMFYSA-N 1 2 300.362 2.911 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611579957 399496165 /nfs/dbraw/zinc/49/61/65/399496165.db2.gz OHBBLAAYXDEUMS-GFCCVEGCSA-N 1 2 316.304 2.807 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611579957 399496167 /nfs/dbraw/zinc/49/61/67/399496167.db2.gz OHBBLAAYXDEUMS-GFCCVEGCSA-N 1 2 316.304 2.807 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611579958 399496389 /nfs/dbraw/zinc/49/63/89/399496389.db2.gz OHBBLAAYXDEUMS-LBPRGKRZSA-N 1 2 316.304 2.807 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611579958 399496391 /nfs/dbraw/zinc/49/63/91/399496391.db2.gz OHBBLAAYXDEUMS-LBPRGKRZSA-N 1 2 316.304 2.807 20 5 DFBDLO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602647181 399501208 /nfs/dbraw/zinc/50/12/08/399501208.db2.gz IPLIRFOTPCAEHC-SNVBAGLBSA-N 1 2 321.333 2.510 20 5 DFBDLO CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602647181 399501210 /nfs/dbraw/zinc/50/12/10/399501210.db2.gz IPLIRFOTPCAEHC-SNVBAGLBSA-N 1 2 321.333 2.510 20 5 DFBDLO CSc1ccccc1C[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602646983 399501323 /nfs/dbraw/zinc/50/13/23/399501323.db2.gz FNEMZXXUFPBHCA-UHFFFAOYSA-N 1 2 306.391 2.682 20 5 DFBDLO CSc1ccccc1C[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602646983 399501327 /nfs/dbraw/zinc/50/13/27/399501327.db2.gz FNEMZXXUFPBHCA-UHFFFAOYSA-N 1 2 306.391 2.682 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+](Cc3ccco3)CC2)n1 ZINC000611615662 399498818 /nfs/dbraw/zinc/49/88/18/399498818.db2.gz YFZUTAPBYQBWSS-UHFFFAOYSA-N 1 2 316.361 2.522 20 5 DFBDLO O=[N+]([O-])c1ccc2ncnc(N3CCC[C@@H](n4cc[nH+]c4)C3)c2c1 ZINC000611708605 399508752 /nfs/dbraw/zinc/50/87/52/399508752.db2.gz GMWDHFQSHHYKAL-CYBMUJFWSA-N 1 2 324.344 2.576 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000359089670 291826099 /nfs/dbraw/zinc/82/60/99/291826099.db2.gz DDPZEBUGTQAYHB-FZMZJTMJSA-N 1 2 315.377 2.891 20 5 DFBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000347505507 285062443 /nfs/dbraw/zinc/06/24/43/285062443.db2.gz VONZAHBBZZQXOD-UHFFFAOYSA-N 1 2 316.342 2.805 20 5 DFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000611813319 399530516 /nfs/dbraw/zinc/53/05/16/399530516.db2.gz ZDJGTYNVBDPFJU-UHFFFAOYSA-N 1 2 320.389 2.994 20 5 DFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOCC2(CC2)C1 ZINC000611813319 399530521 /nfs/dbraw/zinc/53/05/21/399530521.db2.gz ZDJGTYNVBDPFJU-UHFFFAOYSA-N 1 2 320.389 2.994 20 5 DFBDLO Cc1cnn(C)c1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000347598840 285085686 /nfs/dbraw/zinc/08/56/86/285085686.db2.gz YCNMABRBSSMBGH-UHFFFAOYSA-N 1 2 300.362 2.801 20 5 DFBDLO Cc1cnn(C)c1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000347598840 285085688 /nfs/dbraw/zinc/08/56/88/285085688.db2.gz YCNMABRBSSMBGH-UHFFFAOYSA-N 1 2 300.362 2.801 20 5 DFBDLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602795756 399577245 /nfs/dbraw/zinc/57/72/45/399577245.db2.gz COEZBSHGDYCLRO-MNOVXSKESA-N 1 2 318.352 2.975 20 5 DFBDLO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602795756 399577247 /nfs/dbraw/zinc/57/72/47/399577247.db2.gz COEZBSHGDYCLRO-MNOVXSKESA-N 1 2 318.352 2.975 20 5 DFBDLO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1nc2ccccc2s1 ZINC000157454160 197188271 /nfs/dbraw/zinc/18/82/71/197188271.db2.gz UAZXAXNGASVJPY-UHFFFAOYSA-N 1 2 317.374 2.533 20 5 DFBDLO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1nc2ccccc2s1 ZINC000157454160 197188273 /nfs/dbraw/zinc/18/82/73/197188273.db2.gz UAZXAXNGASVJPY-UHFFFAOYSA-N 1 2 317.374 2.533 20 5 DFBDLO C[C@H]1COC(C)(C)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000617080210 399598641 /nfs/dbraw/zinc/59/86/41/399598641.db2.gz XYGUQHWIANANNF-JTQLQIEISA-N 1 2 305.334 2.735 20 5 DFBDLO C[C@H]1COC(C)(C)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000617080210 399598647 /nfs/dbraw/zinc/59/86/47/399598647.db2.gz XYGUQHWIANANNF-JTQLQIEISA-N 1 2 305.334 2.735 20 5 DFBDLO CN(C)c1cc[nH+]c(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000612346592 399629676 /nfs/dbraw/zinc/62/96/76/399629676.db2.gz KJTWBILUCSXHIO-UHFFFAOYSA-N 1 2 320.736 2.962 20 5 DFBDLO CC[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H](C)[S@]1=O ZINC000289966201 221347635 /nfs/dbraw/zinc/34/76/35/221347635.db2.gz ZGMOLQRICSNZFR-JHUIPLDMSA-N 1 2 322.430 2.839 20 5 DFBDLO CC[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H](C)[S@]1=O ZINC000289966201 221347638 /nfs/dbraw/zinc/34/76/38/221347638.db2.gz ZGMOLQRICSNZFR-JHUIPLDMSA-N 1 2 322.430 2.839 20 5 DFBDLO CC[C@]1(O)CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000602983668 399649715 /nfs/dbraw/zinc/64/97/15/399649715.db2.gz PNGQKUFBHKBHCB-AWEZNQCLSA-N 1 2 300.305 2.610 20 5 DFBDLO CC[C@]1(O)CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000602983668 399649720 /nfs/dbraw/zinc/64/97/20/399649720.db2.gz PNGQKUFBHKBHCB-AWEZNQCLSA-N 1 2 300.305 2.610 20 5 DFBDLO Cc1cc(C(=O)NCCc2cn3ccccc3[nH+]2)cc([N+](=O)[O-])c1 ZINC000121942345 195378739 /nfs/dbraw/zinc/37/87/39/195378739.db2.gz PEMRCCSVTCFXMX-UHFFFAOYSA-N 1 2 324.340 2.523 20 5 DFBDLO C[C@@H](C(=O)Nc1ccc2[nH+]ccn2c1)c1cccc([N+](=O)[O-])c1 ZINC000617727841 399784391 /nfs/dbraw/zinc/78/43/91/399784391.db2.gz CCMDXKZHHOZWIB-LLVKDONJSA-N 1 2 310.313 2.985 20 5 DFBDLO O=C(N[C@@H]1C=CCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000157609919 542708346 /nfs/dbraw/zinc/70/83/46/542708346.db2.gz OAGYBOICSZMPJJ-CYBMUJFWSA-N 1 2 312.329 2.619 20 5 DFBDLO CC(C)(C)CC(=O)N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000603555039 399788890 /nfs/dbraw/zinc/78/88/90/399788890.db2.gz QDBOFCRLNNNRFR-UHFFFAOYSA-N 1 2 319.405 2.675 20 5 DFBDLO CCOC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000276311653 542977668 /nfs/dbraw/zinc/97/76/68/542977668.db2.gz MMDKCZOFBAVYNE-UHFFFAOYSA-N 1 2 310.325 2.509 20 5 DFBDLO Cn1ncc2c1nc[nH+]c2SCc1c(F)cccc1[N+](=O)[O-] ZINC000349034972 285757608 /nfs/dbraw/zinc/75/76/08/285757608.db2.gz JPRLAVKMGKMXGB-UHFFFAOYSA-N 1 2 319.321 2.703 20 5 DFBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC000172178870 145294699 /nfs/dbraw/zinc/29/46/99/145294699.db2.gz SHHGTYGMINBKSE-ZDUSSCGKSA-N 1 2 321.768 2.677 20 5 DFBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC000172178870 145294703 /nfs/dbraw/zinc/29/47/03/145294703.db2.gz SHHGTYGMINBKSE-ZDUSSCGKSA-N 1 2 321.768 2.677 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)n1 ZINC000247152204 146163748 /nfs/dbraw/zinc/16/37/48/146163748.db2.gz XBTSPVXTCIZUHR-RISCZKNCSA-N 1 2 301.350 2.582 20 5 DFBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@]2(CCCOC2)O1 ZINC000361107856 149030082 /nfs/dbraw/zinc/03/00/82/149030082.db2.gz AYRHPXYLJKHNBF-MLGOLLRUSA-N 1 2 324.352 2.504 20 5 DFBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@]2(CCCOC2)O1 ZINC000361107856 149030084 /nfs/dbraw/zinc/03/00/84/149030084.db2.gz AYRHPXYLJKHNBF-MLGOLLRUSA-N 1 2 324.352 2.504 20 5 DFBDLO COc1ccc(CN2CCC[C@@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000351068702 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Cc1cc(=O)[nH]c([C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000279031603 271321173 /nfs/dbraw/zinc/32/11/73/271321173.db2.gz DOIJEWOTYCWJGC-QWRGUYRKSA-N 1 2 302.334 2.811 20 5 DFBDLO C[C@@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000269368407 427178910 /nfs/dbraw/zinc/17/89/10/427178910.db2.gz LHYQOQXYTFIPIA-ZWNOBZJWSA-N 1 2 321.768 2.927 20 5 DFBDLO CC(C)[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1nncn1C ZINC000285406090 427224073 /nfs/dbraw/zinc/22/40/73/427224073.db2.gz PETSGEGGBKOZBR-CYBMUJFWSA-N 1 2 323.784 2.864 20 5 DFBDLO Cc1ccc([C@H](C)[NH2+]Cc2nnc(C3CC3)[nH]2)cc1[N+](=O)[O-] ZINC000183230907 427229648 /nfs/dbraw/zinc/22/96/48/427229648.db2.gz DFSXRWYWRKLZJW-JTQLQIEISA-N 1 2 301.350 2.750 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H](CCO)c2ccco2)c(F)c1 ZINC000285473754 427243721 /nfs/dbraw/zinc/24/37/21/427243721.db2.gz ZQIMRECNOZKGJA-CYBMUJFWSA-N 1 2 312.272 2.679 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000183319308 427244665 /nfs/dbraw/zinc/24/46/65/427244665.db2.gz BBVAQWGJWONSDG-AWEZNQCLSA-N 1 2 319.386 2.933 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000183319308 427244673 /nfs/dbraw/zinc/24/46/73/427244673.db2.gz BBVAQWGJWONSDG-AWEZNQCLSA-N 1 2 319.386 2.933 20 5 DFBDLO CCc1nocc1C[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000293267586 427267287 /nfs/dbraw/zinc/26/72/87/427267287.db2.gz BSPHXYVTKZXMQN-UHFFFAOYSA-N 1 2 305.334 2.786 20 5 DFBDLO CCc1nocc1C[N@@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000293267586 427267293 /nfs/dbraw/zinc/26/72/93/427267293.db2.gz BSPHXYVTKZXMQN-UHFFFAOYSA-N 1 2 305.334 2.786 20 5 DFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000330620069 427274692 /nfs/dbraw/zinc/27/46/92/427274692.db2.gz ZTADLXSUIHCFOL-CYBMUJFWSA-N 1 2 319.405 2.846 20 5 DFBDLO COCC[N@H+](Cc1cccnc1)Cc1ccccc1[N+](=O)[O-] ZINC000191247138 427298102 /nfs/dbraw/zinc/29/81/02/427298102.db2.gz OXCYFYVQCIBVLY-UHFFFAOYSA-N 1 2 301.346 2.638 20 5 DFBDLO COCC[N@@H+](Cc1cccnc1)Cc1ccccc1[N+](=O)[O-] ZINC000191247138 427298111 /nfs/dbraw/zinc/29/81/11/427298111.db2.gz OXCYFYVQCIBVLY-UHFFFAOYSA-N 1 2 301.346 2.638 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(N[C@@H]2CCN(c3cccc[nH+]3)C2)c(F)c1 ZINC000269879938 427298180 /nfs/dbraw/zinc/29/81/80/427298180.db2.gz RLUQRUWRXFSUJO-SNVBAGLBSA-N 1 2 320.299 2.959 20 5 DFBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@@H]1CCCCO1 ZINC000285919108 427373771 /nfs/dbraw/zinc/37/37/71/427373771.db2.gz HYVOMDFMZVXXPF-NSHDSACASA-N 1 2 300.305 2.874 20 5 DFBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@@H]1CCCCO1 ZINC000285919108 427373776 /nfs/dbraw/zinc/37/37/76/427373776.db2.gz HYVOMDFMZVXXPF-NSHDSACASA-N 1 2 300.305 2.874 20 5 DFBDLO CCOc1cc(C[N@@H+]2CCO[C@](C)(CC)C2)ccc1[N+](=O)[O-] ZINC000331162128 427360235 /nfs/dbraw/zinc/36/02/35/427360235.db2.gz LJDLZDFHPAPEJQ-MRXNPFEDSA-N 1 2 308.378 2.994 20 5 DFBDLO CCOc1cc(C[N@H+]2CCO[C@](C)(CC)C2)ccc1[N+](=O)[O-] ZINC000331162128 427360239 /nfs/dbraw/zinc/36/02/39/427360239.db2.gz LJDLZDFHPAPEJQ-MRXNPFEDSA-N 1 2 308.378 2.994 20 5 DFBDLO COC[C@@H]1CC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000293554145 427362240 /nfs/dbraw/zinc/36/22/40/427362240.db2.gz FIVRCLLZRHMMJR-AWEZNQCLSA-N 1 2 319.386 2.939 20 5 DFBDLO COC[C@@H]1CC[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000293554145 427362247 /nfs/dbraw/zinc/36/22/47/427362247.db2.gz FIVRCLLZRHMMJR-AWEZNQCLSA-N 1 2 319.386 2.939 20 5 DFBDLO CO[C@@H](C)CCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000338720617 427455515 /nfs/dbraw/zinc/45/55/15/427455515.db2.gz LDAJJWYLUCMNPZ-LBPRGKRZSA-N 1 2 316.361 2.619 20 5 DFBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2cocn2)cc(C(F)(F)F)c1 ZINC000278825997 427466146 /nfs/dbraw/zinc/46/61/46/427466146.db2.gz ULVQRGPKFHIXSY-UHFFFAOYSA-N 1 2 301.224 2.891 20 5 DFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@H]1CC[C@@H](F)C1 ZINC000340916373 271757148 /nfs/dbraw/zinc/75/71/48/271757148.db2.gz PDNGLKAQBOWDGV-KGLIPLIRSA-N 1 2 323.368 2.730 20 5 DFBDLO CC1(C)C[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC(C)(C)O1 ZINC000332216650 427546767 /nfs/dbraw/zinc/54/67/67/427546767.db2.gz HTKJENZOXSHHEZ-UHFFFAOYSA-N 1 2 318.377 2.861 20 5 DFBDLO Cc1ccc(C[N@@H+]2CC[S@](=O)C(C)(C)CC2)cc1[N+](=O)[O-] ZINC000332232008 427552566 /nfs/dbraw/zinc/55/25/66/427552566.db2.gz PBKXLDLAKPJLKB-NRFANRHFSA-N 1 2 310.419 2.636 20 5 DFBDLO Cc1ccc(C[N@H+]2CC[S@](=O)C(C)(C)CC2)cc1[N+](=O)[O-] ZINC000332232008 427552572 /nfs/dbraw/zinc/55/25/72/427552572.db2.gz PBKXLDLAKPJLKB-NRFANRHFSA-N 1 2 310.419 2.636 20 5 DFBDLO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[nH]1 ZINC000271526410 427571761 /nfs/dbraw/zinc/57/17/61/427571761.db2.gz PANUGPVPLQYXJA-WDEREUQCSA-N 1 2 303.366 2.996 20 5 DFBDLO CCc1oc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1C(=O)OC ZINC000338942927 427578467 /nfs/dbraw/zinc/57/84/67/427578467.db2.gz ZUMGCUZUIKNEPQ-UHFFFAOYSA-N 1 2 318.329 2.827 20 5 DFBDLO CCOC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1C)C1CCC1 ZINC000342628039 272033328 /nfs/dbraw/zinc/03/33/28/272033328.db2.gz FCLMDYIMWIAVLD-UHFFFAOYSA-N 1 2 306.362 2.821 20 5 DFBDLO CCOC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C1CCC1 ZINC000342628039 272033330 /nfs/dbraw/zinc/03/33/30/272033330.db2.gz FCLMDYIMWIAVLD-UHFFFAOYSA-N 1 2 306.362 2.821 20 5 DFBDLO C[C@H](C[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-])c1nccs1 ZINC000339082819 427666670 /nfs/dbraw/zinc/66/66/70/427666670.db2.gz IKOINQUAHDEOMR-SNVBAGLBSA-N 1 2 307.375 2.992 20 5 DFBDLO C[C@H](C[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-])c1nccs1 ZINC000339082819 427666677 /nfs/dbraw/zinc/66/66/77/427666677.db2.gz IKOINQUAHDEOMR-SNVBAGLBSA-N 1 2 307.375 2.992 20 5 DFBDLO CCc1ccc([C@@H](COC)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])o1 ZINC000339082671 427667923 /nfs/dbraw/zinc/66/79/23/427667923.db2.gz BPIBDXLSQGZSFM-CQSZACIVSA-N 1 2 320.345 2.933 20 5 DFBDLO CC[C@@H](C)[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)OC ZINC000343604903 272181631 /nfs/dbraw/zinc/18/16/31/272181631.db2.gz ODLYXFMDYIOHJJ-FNOHHLHBSA-N 1 2 306.362 2.882 20 5 DFBDLO CC[C@@H](C)[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)OC ZINC000343604903 272181632 /nfs/dbraw/zinc/18/16/32/272181632.db2.gz ODLYXFMDYIOHJJ-FNOHHLHBSA-N 1 2 306.362 2.882 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000339153921 427705766 /nfs/dbraw/zinc/70/57/66/427705766.db2.gz IPQRTPYERKAYEQ-OIISXLGYSA-N 1 2 320.389 2.816 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000339153921 427705772 /nfs/dbraw/zinc/70/57/72/427705772.db2.gz IPQRTPYERKAYEQ-OIISXLGYSA-N 1 2 320.389 2.816 20 5 DFBDLO CC[C@@H](CO)Nc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301243155 427784089 /nfs/dbraw/zinc/78/40/89/427784089.db2.gz KLLZEFKHXZRCQQ-LBPRGKRZSA-N 1 2 302.334 2.543 20 5 DFBDLO Nc1nc(Nc2cccc(Oc3cc[nH+]cc3)c2)ncc1[N+](=O)[O-] ZINC000301261318 427785243 /nfs/dbraw/zinc/78/52/43/427785243.db2.gz VFNLCOYLPOSTPV-UHFFFAOYSA-N 1 2 324.300 2.898 20 5 DFBDLO CCc1nocc1C[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000339606932 427799761 /nfs/dbraw/zinc/79/97/61/427799761.db2.gz UIXCEDRWTWPFCP-UHFFFAOYSA-N 1 2 305.334 2.786 20 5 DFBDLO CCc1nocc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000339606932 427799763 /nfs/dbraw/zinc/79/97/63/427799763.db2.gz UIXCEDRWTWPFCP-UHFFFAOYSA-N 1 2 305.334 2.786 20 5 DFBDLO Cc1cc(N[C@@H](C)c2cn[nH]c2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000339706718 427815269 /nfs/dbraw/zinc/81/52/69/427815269.db2.gz XHOVOHQYBQFTHT-NSHDSACASA-N 1 2 324.344 2.678 20 5 DFBDLO CC(C)[C@@]1(CO)CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339706941 427815671 /nfs/dbraw/zinc/81/56/71/427815671.db2.gz KWPXJARIHJPOLZ-INIZCTEOSA-N 1 2 308.378 2.531 20 5 DFBDLO CC(C)[C@@]1(CO)CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339706941 427815673 /nfs/dbraw/zinc/81/56/73/427815673.db2.gz KWPXJARIHJPOLZ-INIZCTEOSA-N 1 2 308.378 2.531 20 5 DFBDLO COc1cc(C[N@@H+]2CCOC[C@H]2CC2CCC2)ccc1[N+](=O)[O-] ZINC000339778918 427828338 /nfs/dbraw/zinc/82/83/38/427828338.db2.gz RPYNXSLMJDIDLY-OAHLLOKOSA-N 1 2 320.389 2.994 20 5 DFBDLO COc1cc(C[N@H+]2CCOC[C@H]2CC2CCC2)ccc1[N+](=O)[O-] ZINC000339778918 427828341 /nfs/dbraw/zinc/82/83/41/427828341.db2.gz RPYNXSLMJDIDLY-OAHLLOKOSA-N 1 2 320.389 2.994 20 5 DFBDLO CN(C)c1ccc(CN(C)c2ncc([N+](=O)[O-])cc2Cl)c[nH+]1 ZINC000301851877 427830078 /nfs/dbraw/zinc/83/00/78/427830078.db2.gz PQPKRNFEWQAQKQ-UHFFFAOYSA-N 1 2 321.768 2.741 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@]2(CCOC2)O1 ZINC000355665698 427839827 /nfs/dbraw/zinc/83/98/27/427839827.db2.gz VTGMZKJNPQNMCQ-GDBMZVCRSA-N 1 2 324.352 2.504 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@]2(CCOC2)O1 ZINC000355665698 427839831 /nfs/dbraw/zinc/83/98/31/427839831.db2.gz VTGMZKJNPQNMCQ-GDBMZVCRSA-N 1 2 324.352 2.504 20 5 DFBDLO O=[N+]([O-])c1cc(Cl)ccc1CCNc1cc[nH+]c(C2CC2)n1 ZINC000349870310 427885422 /nfs/dbraw/zinc/88/54/22/427885422.db2.gz FOMSFDZFPOWMFX-UHFFFAOYSA-N 1 2 318.764 3.570 20 5 DFBDLO Cc1cc(NCCc2cccc([N+](=O)[O-])c2)nc(C(C)C)[nH+]1 ZINC000340078813 427919461 /nfs/dbraw/zinc/91/94/61/427919461.db2.gz TXEQGKWAXAKTCI-UHFFFAOYSA-N 1 2 300.362 3.471 20 5 DFBDLO CCNC(=O)C(C)(C)CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413200368 427988569 /nfs/dbraw/zinc/98/85/69/427988569.db2.gz KAVHIONLFRNMST-UHFFFAOYSA-N 1 2 316.361 2.717 20 5 DFBDLO Cc1nc(NCCc2cccc([N+](=O)[O-])c2)c2c([nH+]1)CCCC2 ZINC000359726401 427991118 /nfs/dbraw/zinc/99/11/18/427991118.db2.gz IKXFKEIFAVHGEZ-UHFFFAOYSA-N 1 2 312.373 3.227 20 5 DFBDLO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000355896190 427940345 /nfs/dbraw/zinc/94/03/45/427940345.db2.gz MCPMXBAIJDYFNC-GFCCVEGCSA-N 1 2 307.350 2.503 20 5 DFBDLO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000355896190 427940349 /nfs/dbraw/zinc/94/03/49/427940349.db2.gz MCPMXBAIJDYFNC-GFCCVEGCSA-N 1 2 307.350 2.503 20 5 DFBDLO Cc1cn2cc(NC(=O)c3ccc(F)cc3[N+](=O)[O-])ccc2[nH+]1 ZINC000341383629 428053767 /nfs/dbraw/zinc/05/37/67/428053767.db2.gz WFSVBGAMAHTGGN-UHFFFAOYSA-N 1 2 314.276 2.942 20 5 DFBDLO O=C1OCCC12CC[NH+](Cc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000376866222 428016113 /nfs/dbraw/zinc/01/61/13/428016113.db2.gz GVPBDJRBOBTPKC-UHFFFAOYSA-N 1 2 324.764 2.777 20 5 DFBDLO Cc1cc(N2CC(CF)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413504802 428065385 /nfs/dbraw/zinc/06/53/85/428065385.db2.gz QNSAETDITJWLRV-UHFFFAOYSA-N 1 2 302.309 2.766 20 5 DFBDLO CN(C)c1ccc(CNc2ncc([N+](=O)[O-])cc2Cl)c[nH+]1 ZINC000346399768 428155189 /nfs/dbraw/zinc/15/51/89/428155189.db2.gz FCXFDWBIUBUPIY-UHFFFAOYSA-N 1 2 307.741 2.716 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1Nc1ccc([NH2+]C2CCOCC2)cc1 ZINC000341814895 428214301 /nfs/dbraw/zinc/21/43/01/428214301.db2.gz VIOIRBVEPMWHDM-UHFFFAOYSA-N 1 2 317.349 2.663 20 5 DFBDLO COc1cc[nH+]cc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000346705314 428281462 /nfs/dbraw/zinc/28/14/62/428281462.db2.gz KSQYTTHJWWNVGH-UHFFFAOYSA-N 1 2 312.285 2.732 20 5 DFBDLO CC(C)(C)c1ccc(NC(=O)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000356744103 428292526 /nfs/dbraw/zinc/29/25/26/428292526.db2.gz YBBQNYVNMADUHH-UHFFFAOYSA-N 1 2 302.334 2.728 20 5 DFBDLO COc1ccc(C[NH2+]Cc2nnc(C3CC3)s2)cc1[N+](=O)[O-] ZINC000414560013 428340923 /nfs/dbraw/zinc/34/09/23/428340923.db2.gz VXJWGSZRRKULNO-UHFFFAOYSA-N 1 2 320.374 2.622 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000371060021 428349295 /nfs/dbraw/zinc/34/92/95/428349295.db2.gz UQKLHKAJFSXDKN-CYBMUJFWSA-N 1 2 304.325 2.805 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000371060021 428349300 /nfs/dbraw/zinc/34/93/00/428349300.db2.gz UQKLHKAJFSXDKN-CYBMUJFWSA-N 1 2 304.325 2.805 20 5 DFBDLO Cc1c(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)cccc1[N+](=O)[O-] ZINC000357116337 428395378 /nfs/dbraw/zinc/39/53/78/428395378.db2.gz LCGXMJXUFHQGSW-UHFFFAOYSA-N 1 2 323.312 2.736 20 5 DFBDLO Cc1ccc(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1[N+](=O)[O-] ZINC000371178817 428376415 /nfs/dbraw/zinc/37/64/15/428376415.db2.gz ZADHNGZQAIGLSU-UHFFFAOYSA-N 1 2 314.345 2.646 20 5 DFBDLO Cc1ccc(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000371178817 428376423 /nfs/dbraw/zinc/37/64/23/428376423.db2.gz ZADHNGZQAIGLSU-UHFFFAOYSA-N 1 2 314.345 2.646 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)cs1 ZINC000347108559 428448503 /nfs/dbraw/zinc/44/85/03/428448503.db2.gz WHOYPNWPRQHSFB-CQSZACIVSA-N 1 2 319.386 2.842 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](OCc3ccncc3)C2)cs1 ZINC000347108559 428448508 /nfs/dbraw/zinc/44/85/08/428448508.db2.gz WHOYPNWPRQHSFB-CQSZACIVSA-N 1 2 319.386 2.842 20 5 DFBDLO CC(C)Cn1cc[nH+]c1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000357289156 428466719 /nfs/dbraw/zinc/46/67/19/428466719.db2.gz VEYMBJZLYYYPIT-UHFFFAOYSA-N 1 2 320.324 2.516 20 5 DFBDLO O=[N+]([O-])c1ccc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)cn1 ZINC000357318858 428479249 /nfs/dbraw/zinc/47/92/49/428479249.db2.gz KPDYIQPRQHTDMZ-UHFFFAOYSA-N 1 2 313.292 2.927 20 5 DFBDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000361139651 428541132 /nfs/dbraw/zinc/54/11/32/428541132.db2.gz HFCOTTUTUHYSMZ-NHYWBVRUSA-N 1 2 306.362 2.677 20 5 DFBDLO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000361139651 428541135 /nfs/dbraw/zinc/54/11/35/428541135.db2.gz HFCOTTUTUHYSMZ-NHYWBVRUSA-N 1 2 306.362 2.677 20 5 DFBDLO CC(C)=CC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353683900 428657369 /nfs/dbraw/zinc/65/73/69/428657369.db2.gz GKNDXSBNNBSIQO-HNNXBMFYSA-N 1 2 300.362 2.974 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000348220137 428663675 /nfs/dbraw/zinc/66/36/75/428663675.db2.gz BXQLAFCYTPQQNJ-YVEFUNNKSA-N 1 2 320.389 2.993 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000348220137 428663683 /nfs/dbraw/zinc/66/36/83/428663683.db2.gz BXQLAFCYTPQQNJ-YVEFUNNKSA-N 1 2 320.389 2.993 20 5 DFBDLO COc1ccc(C(=O)Nc2c(C)cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000362399187 428730260 /nfs/dbraw/zinc/73/02/60/428730260.db2.gz YVIYQRCZPOBWSF-UHFFFAOYSA-N 1 2 301.302 2.868 20 5 DFBDLO Cc1cc[nH+]c(C)c1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000362399325 428731942 /nfs/dbraw/zinc/73/19/42/428731942.db2.gz ZZZUDIVYZIUDIS-UHFFFAOYSA-N 1 2 301.302 2.624 20 5 DFBDLO CC1(C)[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])[C@H]2CCCO[C@H]21 ZINC000344626714 428683966 /nfs/dbraw/zinc/68/39/66/428683966.db2.gz KTKOHNYFZNPKCR-BPLDGKMQSA-N 1 2 306.362 2.594 20 5 DFBDLO C[C@@H](c1ccccc1)[N@H+](CC(N)=O)Cc1cccc([N+](=O)[O-])c1 ZINC000353976819 428800012 /nfs/dbraw/zinc/80/00/12/428800012.db2.gz YROWBXBHWPGAMU-ZDUSSCGKSA-N 1 2 313.357 2.643 20 5 DFBDLO C[C@@H](c1ccccc1)[N@@H+](CC(N)=O)Cc1cccc([N+](=O)[O-])c1 ZINC000353976819 428800016 /nfs/dbraw/zinc/80/00/16/428800016.db2.gz YROWBXBHWPGAMU-ZDUSSCGKSA-N 1 2 313.357 2.643 20 5 DFBDLO COc1cc(C[N@@H+]2CCO[C@H](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000411840237 428865024 /nfs/dbraw/zinc/86/50/24/428865024.db2.gz DVSZHUUQXJTXBI-INIZCTEOSA-N 1 2 306.362 2.604 20 5 DFBDLO COc1cc(C[N@H+]2CCO[C@H](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000411840237 428865031 /nfs/dbraw/zinc/86/50/31/428865031.db2.gz DVSZHUUQXJTXBI-INIZCTEOSA-N 1 2 306.362 2.604 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)cs1 ZINC000411934773 428885978 /nfs/dbraw/zinc/88/59/78/428885978.db2.gz HUBILEKWNLLYSM-KGLIPLIRSA-N 1 2 304.371 2.964 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)cs1 ZINC000411934773 428885985 /nfs/dbraw/zinc/88/59/85/428885985.db2.gz HUBILEKWNLLYSM-KGLIPLIRSA-N 1 2 304.371 2.964 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000362390974 274762950 /nfs/dbraw/zinc/76/29/50/274762950.db2.gz FYSWGVXXCBCVMD-CYBMUJFWSA-N 1 2 313.361 2.774 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000375914940 429017758 /nfs/dbraw/zinc/01/77/58/429017758.db2.gz AUYMRDLETMXLOM-BDJLRTHQSA-N 1 2 306.362 2.603 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000375914940 429017761 /nfs/dbraw/zinc/01/77/61/429017761.db2.gz AUYMRDLETMXLOM-BDJLRTHQSA-N 1 2 306.362 2.603 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000421788396 429032145 /nfs/dbraw/zinc/03/21/45/429032145.db2.gz XKZZIKNRNKQYME-UHFFFAOYSA-N 1 2 316.361 2.570 20 5 DFBDLO CCOc1cc(C[N@@H+]2CCO[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000375982334 429035575 /nfs/dbraw/zinc/03/55/75/429035575.db2.gz XSPKZKFKNJERPA-MRXNPFEDSA-N 1 2 306.362 2.604 20 5 DFBDLO CCOc1cc(C[N@H+]2CCO[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000375982334 429035581 /nfs/dbraw/zinc/03/55/81/429035581.db2.gz XSPKZKFKNJERPA-MRXNPFEDSA-N 1 2 306.362 2.604 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)Cc1ccoc1 ZINC000434813476 429112531 /nfs/dbraw/zinc/11/25/31/429112531.db2.gz HZHIEYKICJLNLQ-UHFFFAOYSA-N 1 2 303.318 2.567 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)Cc1ccoc1 ZINC000434813476 429112535 /nfs/dbraw/zinc/11/25/35/429112535.db2.gz HZHIEYKICJLNLQ-UHFFFAOYSA-N 1 2 303.318 2.567 20 5 DFBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)(F)F ZINC000452462849 429116980 /nfs/dbraw/zinc/11/69/80/429116980.db2.gz XPDMQEKFWULCLR-SECBINFHSA-N 1 2 324.287 2.554 20 5 DFBDLO COc1ccnc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000424312176 429125165 /nfs/dbraw/zinc/12/51/65/429125165.db2.gz WHYNSXLSQLRAFS-LLVKDONJSA-N 1 2 302.334 2.553 20 5 DFBDLO O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000364036358 429161548 /nfs/dbraw/zinc/16/15/48/429161548.db2.gz SIDWFSJHOGHRMM-LLVKDONJSA-N 1 2 303.278 2.568 20 5 DFBDLO Cc1cccc(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c1[N+](=O)[O-] ZINC000456366704 429290297 /nfs/dbraw/zinc/29/02/97/429290297.db2.gz GWESWKXSROVCAG-ZYHUDNBSSA-N 1 2 300.318 2.536 20 5 DFBDLO CCc1nnc(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[nH]1 ZINC000449345399 429395868 /nfs/dbraw/zinc/39/58/68/429395868.db2.gz IALZVYFUWSXAFR-UHFFFAOYSA-N 1 2 303.366 2.689 20 5 DFBDLO CC1(C)CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[S@@]1=O ZINC000449570041 429449686 /nfs/dbraw/zinc/44/96/86/429449686.db2.gz FVWFLYKMZAMOGQ-HVPBSWBLSA-N 1 2 322.430 2.841 20 5 DFBDLO CC1(C)CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC[S@@]1=O ZINC000449570041 429449689 /nfs/dbraw/zinc/44/96/89/429449689.db2.gz FVWFLYKMZAMOGQ-HVPBSWBLSA-N 1 2 322.430 2.841 20 5 DFBDLO COc1c(C)[nH+]c(C2CC2)nc1NCc1cccc([N+](=O)[O-])c1 ZINC000518217402 429414858 /nfs/dbraw/zinc/41/48/58/429414858.db2.gz QZNXLSBHQBHJIP-UHFFFAOYSA-N 1 2 314.345 3.191 20 5 DFBDLO CC(C)Oc1nc(N[C@H](c2[nH]cc[nH+]2)C(C)C)ccc1[N+](=O)[O-] ZINC000518396274 429420981 /nfs/dbraw/zinc/42/09/81/429420981.db2.gz BQWPLJHVOAHNBC-ZDUSSCGKSA-N 1 2 319.365 3.309 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1-c1noc(C[C@@H](C)n2cc[nH+]c2)n1 ZINC000518778121 429434092 /nfs/dbraw/zinc/43/40/92/429434092.db2.gz KDVJGLGGXCJCAK-LLVKDONJSA-N 1 2 313.317 2.953 20 5 DFBDLO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000449921077 429539415 /nfs/dbraw/zinc/53/94/15/429539415.db2.gz DXVYGYPYMPPAHB-VXGBXAGGSA-N 1 2 314.345 2.651 20 5 DFBDLO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)c1ccco1 ZINC000430212742 429663484 /nfs/dbraw/zinc/66/34/84/429663484.db2.gz PQCRIWBPUWHXTB-ZDUSSCGKSA-N 1 2 306.318 2.674 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000430226436 429665914 /nfs/dbraw/zinc/66/59/14/429665914.db2.gz AJOFOPPJAYCIMY-HNNXBMFYSA-N 1 2 308.378 2.850 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000430226436 429665916 /nfs/dbraw/zinc/66/59/16/429665916.db2.gz AJOFOPPJAYCIMY-HNNXBMFYSA-N 1 2 308.378 2.850 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000367866475 429733829 /nfs/dbraw/zinc/73/38/29/429733829.db2.gz UBCKGUQYRMEYAX-GFCCVEGCSA-N 1 2 306.391 2.973 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000367866475 429733832 /nfs/dbraw/zinc/73/38/32/429733832.db2.gz UBCKGUQYRMEYAX-GFCCVEGCSA-N 1 2 306.391 2.973 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC(C)=C(C)C1 ZINC000483387864 429734014 /nfs/dbraw/zinc/73/40/14/429734014.db2.gz XBYAKPXYAFHKRB-UHFFFAOYSA-N 1 2 303.362 2.884 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC(C)=C(C)C1 ZINC000483387864 429734018 /nfs/dbraw/zinc/73/40/18/429734018.db2.gz XBYAKPXYAFHKRB-UHFFFAOYSA-N 1 2 303.362 2.884 20 5 DFBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493646880 429802240 /nfs/dbraw/zinc/80/22/40/429802240.db2.gz QKMRDUKSLSULKY-BQYQJAHWSA-N 1 2 314.345 2.768 20 5 DFBDLO CCO[C@@H](C)c1noc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000451102159 429767888 /nfs/dbraw/zinc/76/78/88/429767888.db2.gz BJOLFDPKHVTIGB-QWRGUYRKSA-N 1 2 320.349 2.926 20 5 DFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000493544153 429782596 /nfs/dbraw/zinc/78/25/96/429782596.db2.gz BTKULNFEGWMUCH-LAUAKBEESA-N 1 2 314.345 2.702 20 5 DFBDLO C[C@@H]1C[C@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000493720608 429816228 /nfs/dbraw/zinc/81/62/28/429816228.db2.gz JWOUWFNLCUQFEW-RPHDQRHUSA-N 1 2 312.329 2.627 20 5 DFBDLO CCOC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544714 429849846 /nfs/dbraw/zinc/84/98/46/429849846.db2.gz FMVKQVRFHPAOJX-GXTWGEPZSA-N 1 2 306.362 2.726 20 5 DFBDLO CCOC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544714 429849850 /nfs/dbraw/zinc/84/98/50/429849850.db2.gz FMVKQVRFHPAOJX-GXTWGEPZSA-N 1 2 306.362 2.726 20 5 DFBDLO C[C@@H]1C[C@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000493691089 429810651 /nfs/dbraw/zinc/81/06/51/429810651.db2.gz SDAOSRYJHOIZSD-QDDUCLRZSA-N 1 2 312.329 2.627 20 5 DFBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1cnn(CC(F)F)c1)C2 ZINC000560457980 430045684 /nfs/dbraw/zinc/04/56/84/430045684.db2.gz PBDRPAMHXUGUQQ-UHFFFAOYSA-N 1 2 322.315 2.615 20 5 DFBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1cnn(CC(F)F)c1)C2 ZINC000560457980 430045688 /nfs/dbraw/zinc/04/56/88/430045688.db2.gz PBDRPAMHXUGUQQ-UHFFFAOYSA-N 1 2 322.315 2.615 20 5 DFBDLO CCc1cc(N)nc(SCCc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000562505092 430138767 /nfs/dbraw/zinc/13/87/67/430138767.db2.gz SFRVWEXNRQMNQE-UHFFFAOYSA-N 1 2 304.375 2.864 20 5 DFBDLO Cc1ccc(CCNc2ccc([N+](=O)[O-])c(OC(C)C)n2)[nH+]c1 ZINC000564226371 430194693 /nfs/dbraw/zinc/19/46/93/430194693.db2.gz WDPWWGYNWVHIHL-UHFFFAOYSA-N 1 2 316.361 3.135 20 5 DFBDLO Cc1cc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c(C)c[nH+]1 ZINC000543450727 430248802 /nfs/dbraw/zinc/24/88/02/430248802.db2.gz UCIPYSLFYUDGLG-LLVKDONJSA-N 1 2 317.320 2.910 20 5 DFBDLO CCc1cc(N)nc(SCCOc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000581892044 430249389 /nfs/dbraw/zinc/24/93/89/430249389.db2.gz XXCXWDSWUQMWLZ-UHFFFAOYSA-N 1 2 320.374 2.701 20 5 DFBDLO Cc1cc(CNC(=O)NCc2cccc([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC000569328816 430444961 /nfs/dbraw/zinc/44/49/61/430444961.db2.gz QNYQCEXOEXICPZ-UHFFFAOYSA-N 1 2 314.345 2.606 20 5 DFBDLO COc1ccc(CNc2cc[nH+]c(C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000610515133 430564825 /nfs/dbraw/zinc/56/48/25/430564825.db2.gz VHSDFVNZKBCPFT-UHFFFAOYSA-N 1 2 316.361 3.303 20 5 DFBDLO C[C@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])[C@H]1C ZINC000571746471 430649591 /nfs/dbraw/zinc/64/95/91/430649591.db2.gz CDMJRFOLDWBRKW-KBPBESRZSA-N 1 2 319.405 2.662 20 5 DFBDLO O=[N+]([O-])c1cc(F)ccc1N1CCCN(c2cccc[nH+]2)CC1 ZINC000302221895 280359857 /nfs/dbraw/zinc/35/98/57/280359857.db2.gz MREUBSIDEYYCLN-UHFFFAOYSA-N 1 2 316.336 2.846 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1F ZINC000278537073 280363672 /nfs/dbraw/zinc/36/36/72/280363672.db2.gz FWTAFVMPSYCFMJ-NWDGAFQWSA-N 1 2 322.258 2.622 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1F ZINC000278537073 280363673 /nfs/dbraw/zinc/36/36/73/280363673.db2.gz FWTAFVMPSYCFMJ-NWDGAFQWSA-N 1 2 322.258 2.622 20 5 DFBDLO Cn1cc([C@H]2CSCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000191738829 294303494 /nfs/dbraw/zinc/30/34/94/294303494.db2.gz PJRYGWXSDMVDDJ-OAHLLOKOSA-N 1 2 318.402 2.618 20 5 DFBDLO Cn1cc([C@H]2CSCC[N@H+]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000191738829 294303496 /nfs/dbraw/zinc/30/34/96/294303496.db2.gz PJRYGWXSDMVDDJ-OAHLLOKOSA-N 1 2 318.402 2.618 20 5 DFBDLO [NH3+]CC1(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)CCCCC1 ZINC000262424636 295222865 /nfs/dbraw/zinc/22/28/65/295222865.db2.gz FIMQVYNWZIIXIY-UHFFFAOYSA-N 1 2 307.350 2.538 20 5 DFBDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000158664257 295365998 /nfs/dbraw/zinc/36/59/98/295365998.db2.gz HMBKXNQZLWXMHG-AATRIKPKSA-N 1 2 304.281 2.602 20 5 DFBDLO Cc1cc(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])cc[nH+]1 ZINC000438938991 297107511 /nfs/dbraw/zinc/10/75/11/297107511.db2.gz CWJRVJISOFJVON-UHFFFAOYSA-N 1 2 305.721 2.934 20 5 DFBDLO CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)C ZINC000448800515 297369699 /nfs/dbraw/zinc/36/96/99/297369699.db2.gz YITLSBPBFTYEDX-ZDUSSCGKSA-N 1 2 316.361 2.945 20 5 DFBDLO CCn1nnc(C)c1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000449010446 297390482 /nfs/dbraw/zinc/39/04/82/297390482.db2.gz LCSQXQSXLHNTKN-UHFFFAOYSA-N 1 2 315.377 2.679 20 5 DFBDLO CCn1nnc(C)c1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000449010446 297390483 /nfs/dbraw/zinc/39/04/83/297390483.db2.gz LCSQXQSXLHNTKN-UHFFFAOYSA-N 1 2 315.377 2.679 20 5 DFBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000449057221 297398366 /nfs/dbraw/zinc/39/83/66/297398366.db2.gz BFLNHPFINMFIOP-NEPJUHHUSA-N 1 2 308.378 2.846 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000449368194 297455166 /nfs/dbraw/zinc/45/51/66/297455166.db2.gz FAIQYNAIDABALM-UHFFFAOYSA-N 1 2 320.389 2.818 20 5 DFBDLO C[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000253189393 298194908 /nfs/dbraw/zinc/19/49/08/298194908.db2.gz PDLLXYKLRKSHNH-OUAUKWLOSA-N 1 2 307.350 2.500 20 5 DFBDLO C[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000253189393 298194909 /nfs/dbraw/zinc/19/49/09/298194909.db2.gz PDLLXYKLRKSHNH-OUAUKWLOSA-N 1 2 307.350 2.500 20 5 DFBDLO Cc1cc(C(=O)Nc2nc(C[NH+](C)C)cs2)cc([N+](=O)[O-])c1 ZINC000457290460 298690837 /nfs/dbraw/zinc/69/08/37/298690837.db2.gz MBQGOCULQSOIDK-UHFFFAOYSA-N 1 2 320.374 2.674 20 5 DFBDLO C[C@H]1C[C@H](C)[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000533295442 301194432 /nfs/dbraw/zinc/19/44/32/301194432.db2.gz ZYEVVBZXYOHWMM-UWVGGRQHSA-N 1 2 311.769 2.917 20 5 DFBDLO C[C@H]1C[C@H](C)[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000533295442 301194435 /nfs/dbraw/zinc/19/44/35/301194435.db2.gz ZYEVVBZXYOHWMM-UWVGGRQHSA-N 1 2 311.769 2.917 20 5 DFBDLO Cc1cc(NC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c(C)c[nH+]1 ZINC000535748724 301258086 /nfs/dbraw/zinc/25/80/86/301258086.db2.gz WDGNHNAASBQEFW-UHFFFAOYSA-N 1 2 324.340 2.691 20 5 DFBDLO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)[nH]1 ZINC000537943034 301314070 /nfs/dbraw/zinc/31/40/70/301314070.db2.gz ZCTNOUKKIOYVGO-QWRGUYRKSA-N 1 2 303.366 2.996 20 5 DFBDLO Cc1c[nH]c(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])cc2C)[nH+]1 ZINC000563285838 302059002 /nfs/dbraw/zinc/05/90/02/302059002.db2.gz YBNVRHRLWPOGIK-UHFFFAOYSA-N 1 2 302.334 2.600 20 5 DFBDLO COc1cccc([N+](=O)[O-])c1NCc1ccc[nH+]c1N(C)C ZINC000564240221 302125233 /nfs/dbraw/zinc/12/52/33/302125233.db2.gz UQCGNPUOQBFFHP-UHFFFAOYSA-N 1 2 302.334 2.677 20 5 DFBDLO Cc1c(C[N@@H+]2CCO[C@@]3(CCSC3)C2)cccc1[N+](=O)[O-] ZINC000564448246 302135339 /nfs/dbraw/zinc/13/53/39/302135339.db2.gz KCXGRWKRCVVKHJ-HNNXBMFYSA-N 1 2 308.403 2.611 20 5 DFBDLO Cc1c(C[N@H+]2CCO[C@@]3(CCSC3)C2)cccc1[N+](=O)[O-] ZINC000564448246 302135341 /nfs/dbraw/zinc/13/53/41/302135341.db2.gz KCXGRWKRCVVKHJ-HNNXBMFYSA-N 1 2 308.403 2.611 20 5 DFBDLO Cc1ccc([C@H](C)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1[N+](=O)[O-] ZINC000565184711 302203789 /nfs/dbraw/zinc/20/37/89/302203789.db2.gz BUMUIPMZQCZYLB-RYUDHWBXSA-N 1 2 316.361 2.682 20 5 DFBDLO Cc1ccc([C@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000565184711 302203791 /nfs/dbraw/zinc/20/37/91/302203791.db2.gz BUMUIPMZQCZYLB-RYUDHWBXSA-N 1 2 316.361 2.682 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000567403081 302357086 /nfs/dbraw/zinc/35/70/86/302357086.db2.gz GKONKHFSVOICND-LLVKDONJSA-N 1 2 302.334 2.752 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000567403081 302357087 /nfs/dbraw/zinc/35/70/87/302357087.db2.gz GKONKHFSVOICND-LLVKDONJSA-N 1 2 302.334 2.752 20 5 DFBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000172058663 315940864 /nfs/dbraw/zinc/94/08/64/315940864.db2.gz SRCOIDALWRVTIK-UHFFFAOYSA-N 1 2 322.324 2.711 20 5 DFBDLO Cc1cn2c([nH+]1)CN(c1ccc3cc([N+](=O)[O-])ccc3n1)CC2 ZINC000359997845 316572268 /nfs/dbraw/zinc/57/22/68/316572268.db2.gz VJKVOAXPPIFKGJ-UHFFFAOYSA-N 1 2 309.329 2.668 20 5 DFBDLO CC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(F)F ZINC000452254965 317125972 /nfs/dbraw/zinc/12/59/72/317125972.db2.gz ZUDBMIMSXLOEJB-SNVBAGLBSA-N 1 2 324.287 2.554 20 5 DFBDLO COc1ccc(C[N@@H+]2CCOC[C@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000574635239 318029590 /nfs/dbraw/zinc/02/95/90/318029590.db2.gz JVYBBNYSOZRVIG-HNNXBMFYSA-N 1 2 306.362 2.604 20 5 DFBDLO COc1ccc(C[N@H+]2CCOC[C@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000574635239 318029591 /nfs/dbraw/zinc/02/95/91/318029591.db2.gz JVYBBNYSOZRVIG-HNNXBMFYSA-N 1 2 306.362 2.604 20 5 DFBDLO Cc1c(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)cnn1C ZINC000577970178 318229830 /nfs/dbraw/zinc/22/98/30/318229830.db2.gz GMOSFWJPUUNUNQ-UHFFFAOYSA-N 1 2 308.769 2.922 20 5 DFBDLO Cc1c(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)cnn1C ZINC000577970178 318229833 /nfs/dbraw/zinc/22/98/33/318229833.db2.gz GMOSFWJPUUNUNQ-UHFFFAOYSA-N 1 2 308.769 2.922 20 5 DFBDLO COc1cc(C[NH2+][C@H](C)c2cscn2)c([N+](=O)[O-])cc1O ZINC000578523450 318267497 /nfs/dbraw/zinc/26/74/97/318267497.db2.gz CPLPWHGZRJBLRS-MRVPVSSYSA-N 1 2 309.347 2.616 20 5 DFBDLO Cc1csc([C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CCO2)n1 ZINC000157060228 526445705 /nfs/dbraw/zinc/44/57/05/526445705.db2.gz OVFIUULVSVDSIH-CQSZACIVSA-N 1 2 319.386 2.933 20 5 DFBDLO Cc1csc([C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CCO2)n1 ZINC000157060228 526445710 /nfs/dbraw/zinc/44/57/10/526445710.db2.gz OVFIUULVSVDSIH-CQSZACIVSA-N 1 2 319.386 2.933 20 5 DFBDLO CCOc1cccc(NCC(C)(C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000273202199 535469304 /nfs/dbraw/zinc/46/93/04/535469304.db2.gz RNIGIMVMVMHOLM-UHFFFAOYSA-N 1 2 323.393 2.516 20 5 DFBDLO C[N@H+](CCC(F)(F)F)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361269191 536317317 /nfs/dbraw/zinc/31/73/17/536317317.db2.gz ZFQZLZVWBCAIEV-UHFFFAOYSA-N 1 2 302.256 2.855 20 5 DFBDLO C[N@@H+](CCC(F)(F)F)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361269191 536317321 /nfs/dbraw/zinc/31/73/21/536317321.db2.gz ZFQZLZVWBCAIEV-UHFFFAOYSA-N 1 2 302.256 2.855 20 5 DFBDLO C[C@H](CC[S@@](C)=O)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413167626 295682488 /nfs/dbraw/zinc/68/24/88/295682488.db2.gz LVPXRMVXDUNMMF-LADRHHBVSA-N 1 2 307.375 2.712 20 5 DFBDLO CCC1(O)CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413182464 295683811 /nfs/dbraw/zinc/68/38/11/295683811.db2.gz XMBOIXYHSYKIKV-UHFFFAOYSA-N 1 2 301.346 2.884 20 5 DFBDLO Cc1ccnc(NCc2ccc[nH+]c2N2CCCC2)c1[N+](=O)[O-] ZINC000596356815 398393804 /nfs/dbraw/zinc/39/38/04/398393804.db2.gz KZGIKKHQCSUCEF-UHFFFAOYSA-N 1 2 313.361 2.906 20 5 DFBDLO CCOc1cccc(NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000596433989 398410292 /nfs/dbraw/zinc/41/02/92/398410292.db2.gz VZAXFBIAONFIGD-QWHCGFSZSA-N 1 2 323.393 2.515 20 5 DFBDLO CCOc1cccc(NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)c1[N+](=O)[O-] ZINC000596433989 398410295 /nfs/dbraw/zinc/41/02/95/398410295.db2.gz VZAXFBIAONFIGD-QWHCGFSZSA-N 1 2 323.393 2.515 20 5 DFBDLO CN(Cc1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1OC(F)F ZINC000302178463 530027389 /nfs/dbraw/zinc/02/73/89/530027389.db2.gz YGIJXQOORYHFEZ-UHFFFAOYSA-N 1 2 312.276 2.566 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H]2Cn2cccn2)c(F)c1 ZINC000586763662 398454969 /nfs/dbraw/zinc/45/49/69/398454969.db2.gz IMNRMJLLONAGOM-LLVKDONJSA-N 1 2 322.315 2.734 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@H]2Cn2cccn2)c(F)c1 ZINC000586763662 398454972 /nfs/dbraw/zinc/45/49/72/398454972.db2.gz IMNRMJLLONAGOM-LLVKDONJSA-N 1 2 322.315 2.734 20 5 DFBDLO CN(C)c1[nH+]cccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000049728616 282390901 /nfs/dbraw/zinc/39/09/01/282390901.db2.gz CXLZSHHNVJYRNV-JXMROGBWSA-N 1 2 312.329 2.708 20 5 DFBDLO CCc1cc(=O)[nH]c(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000181815528 199356487 /nfs/dbraw/zinc/35/64/87/199356487.db2.gz FXJFQWHKEAJULU-NSHDSACASA-N 1 2 316.361 2.812 20 5 DFBDLO Cc1cc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc[nH+]1 ZINC000068411257 398501304 /nfs/dbraw/zinc/50/13/04/398501304.db2.gz MZNZDEPSQOFRBI-UHFFFAOYSA-N 1 2 310.313 2.892 20 5 DFBDLO Cn1c[nH+]cc1[C@H]1CCCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000589127906 398529434 /nfs/dbraw/zinc/52/94/34/398529434.db2.gz QBRCXMCNSQWZKY-LLVKDONJSA-N 1 2 320.374 2.757 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC(C(=O)OC(C)(C)C)C1 ZINC000459589344 299142503 /nfs/dbraw/zinc/14/25/03/299142503.db2.gz ICVGSZYFVZHRGW-UHFFFAOYSA-N 1 2 306.362 2.677 20 5 DFBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cnn2c1CCC2)C1CC1 ZINC000596979725 398539645 /nfs/dbraw/zinc/53/96/45/398539645.db2.gz MPEWDTUZMWBUPX-UHFFFAOYSA-N 1 2 312.373 2.902 20 5 DFBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cnn2c1CCC2)C1CC1 ZINC000596979725 398539649 /nfs/dbraw/zinc/53/96/49/398539649.db2.gz MPEWDTUZMWBUPX-UHFFFAOYSA-N 1 2 312.373 2.902 20 5 DFBDLO C[C@H](CO)C1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000593085029 398541608 /nfs/dbraw/zinc/54/16/08/398541608.db2.gz SYKLYGRPAWTMDZ-SNVBAGLBSA-N 1 2 314.332 2.713 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)OCC12CCC2 ZINC000593091096 398542592 /nfs/dbraw/zinc/54/25/92/398542592.db2.gz FHXOAVCRKFIFPH-LBPRGKRZSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)OCC12CCC2 ZINC000593091096 398542596 /nfs/dbraw/zinc/54/25/96/398542596.db2.gz FHXOAVCRKFIFPH-LBPRGKRZSA-N 1 2 306.362 2.747 20 5 DFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@]4(CC4(F)F)C3)nc2c1 ZINC000593118387 398550691 /nfs/dbraw/zinc/55/06/91/398550691.db2.gz QVQXFFIKQYHYIA-ZDUSSCGKSA-N 1 2 308.288 2.702 20 5 DFBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CC[C@]4(CC4(F)F)C3)nc2c1 ZINC000593118387 398550692 /nfs/dbraw/zinc/55/06/92/398550692.db2.gz QVQXFFIKQYHYIA-ZDUSSCGKSA-N 1 2 308.288 2.702 20 5 DFBDLO COc1ccccc1C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000459625861 299150866 /nfs/dbraw/zinc/15/08/66/299150866.db2.gz ZCVNGQADKNKNLG-UHFFFAOYSA-N 1 2 314.341 2.867 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000589521249 398558888 /nfs/dbraw/zinc/55/88/88/398558888.db2.gz OGIAQCVDYVSXLC-HZPDHXFCSA-N 1 2 318.373 2.834 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000589521249 398558890 /nfs/dbraw/zinc/55/88/90/398558890.db2.gz OGIAQCVDYVSXLC-HZPDHXFCSA-N 1 2 318.373 2.834 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000597250346 398607356 /nfs/dbraw/zinc/60/73/56/398607356.db2.gz CDJPEYYDVUCTLF-AWEZNQCLSA-N 1 2 300.305 2.759 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@](C)(C(F)F)C1 ZINC000597250346 398607357 /nfs/dbraw/zinc/60/73/57/398607357.db2.gz CDJPEYYDVUCTLF-AWEZNQCLSA-N 1 2 300.305 2.759 20 5 DFBDLO C[N@H+](Cc1cn[nH]c1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590167422 398602914 /nfs/dbraw/zinc/60/29/14/398602914.db2.gz ZTYNBSIBBWWTAI-UHFFFAOYSA-N 1 2 314.267 2.969 20 5 DFBDLO C[N@@H+](Cc1cn[nH]c1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590167422 398602920 /nfs/dbraw/zinc/60/29/20/398602920.db2.gz ZTYNBSIBBWWTAI-UHFFFAOYSA-N 1 2 314.267 2.969 20 5 DFBDLO Cc1ccc(NC(=O)Cc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000593383242 398614717 /nfs/dbraw/zinc/61/47/17/398614717.db2.gz QCCPWILFBBVQNW-UHFFFAOYSA-N 1 2 314.345 2.617 20 5 DFBDLO Cc1c([C@H](C)[NH2+]Cc2nnc3n2CCCC3)cccc1[N+](=O)[O-] ZINC000183843760 186223289 /nfs/dbraw/zinc/22/32/89/186223289.db2.gz ZJVWRJMCDRQGAJ-LBPRGKRZSA-N 1 2 315.377 2.682 20 5 DFBDLO CC(C)CN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000045468999 398674293 /nfs/dbraw/zinc/67/42/93/398674293.db2.gz MWKVTOTXOSLJTR-UHFFFAOYSA-N 1 2 302.334 2.509 20 5 DFBDLO Cc1c[nH]c(C(C)(C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)[nH+]1 ZINC000593734146 398678940 /nfs/dbraw/zinc/67/89/40/398678940.db2.gz VTCBCPSJAAENKA-UHFFFAOYSA-N 1 2 302.334 2.600 20 5 DFBDLO CCCCCNC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130511507 283051374 /nfs/dbraw/zinc/05/13/74/283051374.db2.gz PGYZVMKSPJBNHZ-UHFFFAOYSA-N 1 2 319.405 2.866 20 5 DFBDLO CCCCCNC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130511507 283051377 /nfs/dbraw/zinc/05/13/77/283051377.db2.gz PGYZVMKSPJBNHZ-UHFFFAOYSA-N 1 2 319.405 2.866 20 5 DFBDLO CCOc1cc(C[N@@H+]2CCOC[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000276989235 213223962 /nfs/dbraw/zinc/22/39/62/213223962.db2.gz ZSHWLCXHARGQCT-HNNXBMFYSA-N 1 2 306.362 2.604 20 5 DFBDLO CCOc1cc(C[N@H+]2CCOC[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000276989235 213223964 /nfs/dbraw/zinc/22/39/64/213223964.db2.gz ZSHWLCXHARGQCT-HNNXBMFYSA-N 1 2 306.362 2.604 20 5 DFBDLO CC(C)[C@H](C)NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130955690 283067059 /nfs/dbraw/zinc/06/70/59/283067059.db2.gz NCJBMZUAGXWHIU-ZDUSSCGKSA-N 1 2 319.405 2.720 20 5 DFBDLO O=C(C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCCCC1 ZINC000135222514 283211465 /nfs/dbraw/zinc/21/14/65/283211465.db2.gz INSFEJAEDVOCMI-UHFFFAOYSA-N 1 2 317.389 2.572 20 5 DFBDLO O=C(C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCCCC1 ZINC000135222514 283211468 /nfs/dbraw/zinc/21/14/68/283211468.db2.gz INSFEJAEDVOCMI-UHFFFAOYSA-N 1 2 317.389 2.572 20 5 DFBDLO COc1ccc(OCC[N@H+](CC(F)F)C(C)C)c([N+](=O)[O-])c1 ZINC000135392428 283218236 /nfs/dbraw/zinc/21/82/36/283218236.db2.gz DHPVXONJYVVGSU-UHFFFAOYSA-N 1 2 318.320 2.958 20 5 DFBDLO COc1ccc(OCC[N@@H+](CC(F)F)C(C)C)c([N+](=O)[O-])c1 ZINC000135392428 283218242 /nfs/dbraw/zinc/21/82/42/283218242.db2.gz DHPVXONJYVVGSU-UHFFFAOYSA-N 1 2 318.320 2.958 20 5 DFBDLO CN(C)c1nc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cs1 ZINC000594495897 398809677 /nfs/dbraw/zinc/80/96/77/398809677.db2.gz FDJFWBAEIDVGHJ-ZDUSSCGKSA-N 1 2 318.402 2.894 20 5 DFBDLO CC(C)=CCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000276742860 213080327 /nfs/dbraw/zinc/08/03/27/213080327.db2.gz YIKTWMVCHISFJH-UHFFFAOYSA-N 1 2 314.345 2.867 20 5 DFBDLO CCC(CC)C(=O)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000075654336 398815600 /nfs/dbraw/zinc/81/56/00/398815600.db2.gz ZNLXGOOBPFCZLR-UHFFFAOYSA-N 1 2 319.405 2.675 20 5 DFBDLO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075960011 398830528 /nfs/dbraw/zinc/83/05/28/398830528.db2.gz JAGIHRUXHBWQJX-LLVKDONJSA-N 1 2 315.333 2.729 20 5 DFBDLO O=[N+]([O-])c1cccnc1NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000052314709 398838367 /nfs/dbraw/zinc/83/83/67/398838367.db2.gz JEPLYWXMXQAVMK-UHFFFAOYSA-N 1 2 313.361 2.987 20 5 DFBDLO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1cscn1 ZINC000594714440 398847440 /nfs/dbraw/zinc/84/74/40/398847440.db2.gz ZZDUTGOWQOJMQM-ZJUUUORDSA-N 1 2 320.374 2.729 20 5 DFBDLO Cc1cnc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000180433002 199158263 /nfs/dbraw/zinc/15/82/63/199158263.db2.gz BXTABQKJTGVECR-UHFFFAOYSA-N 1 2 318.402 2.682 20 5 DFBDLO CO[C@H](C)c1noc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000180406549 199155273 /nfs/dbraw/zinc/15/52/73/199155273.db2.gz NERGLGNTUBFBPY-VHSXEESVSA-N 1 2 306.322 2.536 20 5 DFBDLO CCOCCNc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000076835675 398872197 /nfs/dbraw/zinc/87/21/97/398872197.db2.gz BPNCCVCFAYNVKR-UHFFFAOYSA-N 1 2 302.334 2.809 20 5 DFBDLO CC(C)c1ccc(C[N@@H+]2CCc3n[nH]cc3C2)cc1[N+](=O)[O-] ZINC000598942129 398894920 /nfs/dbraw/zinc/89/49/20/398894920.db2.gz NOTFWOZZSCESOW-UHFFFAOYSA-N 1 2 300.362 3.000 20 5 DFBDLO CC(C)c1ccc(C[N@H+]2CCc3n[nH]cc3C2)cc1[N+](=O)[O-] ZINC000598942129 398894922 /nfs/dbraw/zinc/89/49/22/398894922.db2.gz NOTFWOZZSCESOW-UHFFFAOYSA-N 1 2 300.362 3.000 20 5 DFBDLO CCc1nnc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)s1 ZINC000595038190 398895964 /nfs/dbraw/zinc/89/59/64/398895964.db2.gz KRRDKCLOUXIBHM-SECBINFHSA-N 1 2 322.390 2.868 20 5 DFBDLO Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)CC2 ZINC000598958726 398897924 /nfs/dbraw/zinc/89/79/24/398897924.db2.gz WDZWYSGFWUEVQO-LBPRGKRZSA-N 1 2 314.345 2.609 20 5 DFBDLO O=C(CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])NC1CCCC1 ZINC000599036918 398911154 /nfs/dbraw/zinc/91/11/54/398911154.db2.gz XYNPBNJTXFGDOG-UHFFFAOYSA-N 1 2 314.345 2.614 20 5 DFBDLO O=[N+]([O-])c1c(NCCOC[C@H]2CCCO2)ccc2c[nH+]ccc21 ZINC000599045164 398911904 /nfs/dbraw/zinc/91/19/04/398911904.db2.gz FMYQSNZJMHNZDE-CYBMUJFWSA-N 1 2 317.345 2.751 20 5 DFBDLO NC(=O)[C@H]1CCC[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599047463 398912769 /nfs/dbraw/zinc/91/27/69/398912769.db2.gz XZZMWCZHVOSBCG-JQWIXIFHSA-N 1 2 314.345 2.599 20 5 DFBDLO COC1(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCOCC1 ZINC000599058004 398914321 /nfs/dbraw/zinc/91/43/21/398914321.db2.gz HFYDHTWQILDHFW-UHFFFAOYSA-N 1 2 317.345 2.751 20 5 DFBDLO CN(C[C@@H]1CCC[C@H]1O)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599058270 398914514 /nfs/dbraw/zinc/91/45/14/398914514.db2.gz GUCBSHRSJKCLBT-SWLSCSKDSA-N 1 2 301.346 2.740 20 5 DFBDLO COC(=O)[C@@]1(C)CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599058803 398914611 /nfs/dbraw/zinc/91/46/11/398914611.db2.gz VOENCENHOMTDQD-INIZCTEOSA-N 1 2 315.329 2.532 20 5 DFBDLO C[C@@H](O)[C@@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599059770 398914951 /nfs/dbraw/zinc/91/49/51/398914951.db2.gz QTPARHUVPANWJY-DGCLKSJQSA-N 1 2 301.346 2.740 20 5 DFBDLO COCCCOCCN(C)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599062932 398915537 /nfs/dbraw/zinc/91/55/37/398915537.db2.gz UJXYEVZGCHBRPB-UHFFFAOYSA-N 1 2 319.361 2.632 20 5 DFBDLO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1ccc2c(c1)OCO2 ZINC000595294805 398917796 /nfs/dbraw/zinc/91/77/96/398917796.db2.gz GKSAUQPHYCHZQD-UHFFFAOYSA-N 1 2 319.317 2.642 20 5 DFBDLO CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1ccc2c(c1)OCO2 ZINC000595294805 398917798 /nfs/dbraw/zinc/91/77/98/398917798.db2.gz GKSAUQPHYCHZQD-UHFFFAOYSA-N 1 2 319.317 2.642 20 5 DFBDLO C[C@@]1(O)CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599077747 398918307 /nfs/dbraw/zinc/91/83/07/398918307.db2.gz HVIZHTWLALSPMD-MRXNPFEDSA-N 1 2 301.346 2.884 20 5 DFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CC[C@@H](n2cccn2)C1 ZINC000599083948 398918442 /nfs/dbraw/zinc/91/84/42/398918442.db2.gz YPSWAFUSLOALGR-CYBMUJFWSA-N 1 2 309.329 2.791 20 5 DFBDLO CCc1nn(C)c(N2CC[C@H](c3cc(C)cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000599100233 398921397 /nfs/dbraw/zinc/92/13/97/398921397.db2.gz KSBVOQWQWWPKIV-LBPRGKRZSA-N 1 2 315.377 2.588 20 5 DFBDLO Cc1noc(C[N@@H+]2CCOc3ccccc3[C@@H]2C)c1[N+](=O)[O-] ZINC000595367184 398928206 /nfs/dbraw/zinc/92/82/06/398928206.db2.gz YMEBAZVADQBXNV-NSHDSACASA-N 1 2 303.318 2.847 20 5 DFBDLO Cc1noc(C[N@H+]2CCOc3ccccc3[C@@H]2C)c1[N+](=O)[O-] ZINC000595367184 398928210 /nfs/dbraw/zinc/92/82/10/398928210.db2.gz YMEBAZVADQBXNV-NSHDSACASA-N 1 2 303.318 2.847 20 5 DFBDLO Cc1noc(C[N@@H+](C)[C@@H](C)[C@@H]2Cc3ccccc3O2)c1[N+](=O)[O-] ZINC000595381122 398930156 /nfs/dbraw/zinc/93/01/56/398930156.db2.gz JKOFHHIOVFEHHP-FZMZJTMJSA-N 1 2 317.345 2.715 20 5 DFBDLO Cc1noc(C[N@H+](C)[C@@H](C)[C@@H]2Cc3ccccc3O2)c1[N+](=O)[O-] ZINC000595381122 398930159 /nfs/dbraw/zinc/93/01/59/398930159.db2.gz JKOFHHIOVFEHHP-FZMZJTMJSA-N 1 2 317.345 2.715 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCO[C@@H](CCF)C3)c2c1 ZINC000599168800 398932990 /nfs/dbraw/zinc/93/29/90/398932990.db2.gz MXLUUCPPQZBPBC-ZDUSSCGKSA-N 1 2 305.309 2.708 20 5 DFBDLO COc1ccccc1[C@H](CO)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595430435 398936802 /nfs/dbraw/zinc/93/68/02/398936802.db2.gz MUNKZPUTFBTWSB-AWEZNQCLSA-N 1 2 320.320 2.566 20 5 DFBDLO CC[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000595467706 398945279 /nfs/dbraw/zinc/94/52/79/398945279.db2.gz UCUQYEKZYDXJHB-HOCLYGCPSA-N 1 2 324.352 2.504 20 5 DFBDLO CC[C@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000595467706 398945280 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CCOc1ccc([N+](=O)[O-])cc1NC(=O)CCCn1cc[nH+]c1 ZINC000619607344 399367577 /nfs/dbraw/zinc/36/75/77/399367577.db2.gz BPKXMJOAWMBZFE-UHFFFAOYSA-N 1 2 318.333 2.609 20 5 DFBDLO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285305241 218374027 /nfs/dbraw/zinc/37/40/27/218374027.db2.gz MKQGSYYZDIIPSS-DOFRTFSJSA-N 1 2 300.305 2.607 20 5 DFBDLO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285305241 218374028 /nfs/dbraw/zinc/37/40/28/218374028.db2.gz MKQGSYYZDIIPSS-DOFRTFSJSA-N 1 2 300.305 2.607 20 5 DFBDLO O=C(Nc1ccn2cc[nH+]c2c1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000619867607 399396506 /nfs/dbraw/zinc/39/65/06/399396506.db2.gz YTHRKVBNLNLHCV-UHFFFAOYSA-N 1 2 321.296 2.976 20 5 DFBDLO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000610786773 399406212 /nfs/dbraw/zinc/40/62/12/399406212.db2.gz NWDSYDIHTOCVHM-MLGOLLRUSA-N 1 2 316.357 2.555 20 5 DFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)c1 ZINC000058578382 184123427 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C[C@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1F ZINC000611501468 399483435 /nfs/dbraw/zinc/48/34/35/399483435.db2.gz CJPDVHGIFHEOJJ-GXFFZTMASA-N 1 2 320.324 2.825 20 5 DFBDLO C[C@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1F ZINC000611501468 399483439 /nfs/dbraw/zinc/48/34/39/399483439.db2.gz CJPDVHGIFHEOJJ-GXFFZTMASA-N 1 2 320.324 2.825 20 5 DFBDLO C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1F ZINC000611502554 399484088 /nfs/dbraw/zinc/48/40/88/399484088.db2.gz VGGKRWHYRSUAGC-IINYFYTJSA-N 1 2 310.325 2.641 20 5 DFBDLO C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1F ZINC000611502554 399484089 /nfs/dbraw/zinc/48/40/89/399484089.db2.gz VGGKRWHYRSUAGC-IINYFYTJSA-N 1 2 310.325 2.641 20 5 DFBDLO Cn1cc(C[N@@H+]2CC(C)(C)[C@H]2c2cccs2)c([N+](=O)[O-])n1 ZINC000602663004 399507932 /nfs/dbraw/zinc/50/79/32/399507932.db2.gz RDPGMROLBXVMFR-GFCCVEGCSA-N 1 2 306.391 2.973 20 5 DFBDLO Cn1cc(C[N@H+]2CC(C)(C)[C@H]2c2cccs2)c([N+](=O)[O-])n1 ZINC000602663004 399507938 /nfs/dbraw/zinc/50/79/38/399507938.db2.gz RDPGMROLBXVMFR-GFCCVEGCSA-N 1 2 306.391 2.973 20 5 DFBDLO Cn1cc(C[N@@H+]2Cc3ccccc3OC(C)(C)C2)c([N+](=O)[O-])n1 ZINC000602664689 399510305 /nfs/dbraw/zinc/51/03/05/399510305.db2.gz POTBEBQSKGKYAB-UHFFFAOYSA-N 1 2 316.361 2.502 20 5 DFBDLO Cn1cc(C[N@H+]2Cc3ccccc3OC(C)(C)C2)c([N+](=O)[O-])n1 ZINC000602664689 399510309 /nfs/dbraw/zinc/51/03/09/399510309.db2.gz POTBEBQSKGKYAB-UHFFFAOYSA-N 1 2 316.361 2.502 20 5 DFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C2CC2)CC1 ZINC000347365045 285016965 /nfs/dbraw/zinc/01/69/65/285016965.db2.gz SKVXMFZZOHXBAA-SDNWHVSQSA-N 1 2 301.390 2.778 20 5 DFBDLO Cc1c[nH+]ccc1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000120429970 195165670 /nfs/dbraw/zinc/16/56/70/195165670.db2.gz UAZVHKPTRRTKEC-UHFFFAOYSA-N 1 2 312.329 2.888 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000612346685 399629946 /nfs/dbraw/zinc/62/99/46/399629946.db2.gz NWYQRQPSSRENJI-UHFFFAOYSA-N 1 2 300.318 2.617 20 5 DFBDLO CN(C)c1cccnc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000289779462 221220739 /nfs/dbraw/zinc/22/07/39/221220739.db2.gz KKCUKBJPQKRNPP-UHFFFAOYSA-N 1 2 320.780 2.999 20 5 DFBDLO C[C@](CO)([NH2+]Cc1ncccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000602962798 399641452 /nfs/dbraw/zinc/64/14/52/399641452.db2.gz PBNYLBWQIXDVMU-OAHLLOKOSA-N 1 2 321.764 2.641 20 5 DFBDLO COC(=O)[C@H](CC(C)C)[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000292482558 533234169 /nfs/dbraw/zinc/23/41/69/533234169.db2.gz SEZCGPMWPVPRPS-AWEZNQCLSA-N 1 2 324.377 2.623 20 5 DFBDLO COC(=O)[C@H](CC(C)C)[N@@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000292482558 533234173 /nfs/dbraw/zinc/23/41/73/533234173.db2.gz SEZCGPMWPVPRPS-AWEZNQCLSA-N 1 2 324.377 2.623 20 5 DFBDLO Cc1nc([C@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cs1 ZINC000348311982 285486473 /nfs/dbraw/zinc/48/64/73/285486473.db2.gz UJSJRUQJFNEIRN-VIFPVBQESA-N 1 2 320.374 2.649 20 5 DFBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC000172178872 145294960 /nfs/dbraw/zinc/29/49/60/145294960.db2.gz SHHGTYGMINBKSE-CYBMUJFWSA-N 1 2 321.768 2.677 20 5 DFBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC000172178872 145294965 /nfs/dbraw/zinc/29/49/65/145294965.db2.gz SHHGTYGMINBKSE-CYBMUJFWSA-N 1 2 321.768 2.677 20 5 DFBDLO CC(C)OC(=O)[C@H](C)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255047889 146231625 /nfs/dbraw/zinc/23/16/25/146231625.db2.gz CTZQGNMQAOZVTO-JWJUJFCLSA-N 1 2 306.362 2.880 20 5 DFBDLO CC(C)OC(=O)[C@H](C)[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255047889 146231628 /nfs/dbraw/zinc/23/16/28/146231628.db2.gz CTZQGNMQAOZVTO-JWJUJFCLSA-N 1 2 306.362 2.880 20 5 DFBDLO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccncc1 ZINC000355458947 147323748 /nfs/dbraw/zinc/32/37/48/147323748.db2.gz SEAHZFSJOKBNEY-UHFFFAOYSA-N 1 2 311.345 2.888 20 5 DFBDLO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccncc1 ZINC000355458947 147323749 /nfs/dbraw/zinc/32/37/49/147323749.db2.gz SEAHZFSJOKBNEY-UHFFFAOYSA-N 1 2 311.345 2.888 20 5 DFBDLO O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000358437349 148360892 /nfs/dbraw/zinc/36/08/92/148360892.db2.gz NIXUWOASKFRLQU-UHFFFAOYSA-N 1 2 322.324 2.962 20 5 DFBDLO Cc1sc(C(=O)N2CCC[C@@H]2c2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000371462186 150050669 /nfs/dbraw/zinc/05/06/69/150050669.db2.gz BPJUKZITFZEIAV-SNVBAGLBSA-N 1 2 320.374 2.676 20 5 DFBDLO Cc1cc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cc([N+](=O)[O-])c1 ZINC000371519679 150058771 /nfs/dbraw/zinc/05/87/71/150058771.db2.gz MLPCSJLRLHUDHC-CYBMUJFWSA-N 1 2 300.318 2.604 20 5 DFBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@](F)(c3ccc(F)cc3)C2)c1 ZINC000374328876 150345923 /nfs/dbraw/zinc/34/59/23/150345923.db2.gz UACAZBIFBFKFIK-HNNXBMFYSA-N 1 2 322.315 2.501 20 5 DFBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@](F)(c3ccc(F)cc3)C2)c1 ZINC000374328876 150345927 /nfs/dbraw/zinc/34/59/27/150345927.db2.gz UACAZBIFBFKFIK-HNNXBMFYSA-N 1 2 322.315 2.501 20 5 DFBDLO COc1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000351971042 286257700 /nfs/dbraw/zinc/25/77/00/286257700.db2.gz NOEPLMNCFUAJOQ-UKRRQHHQSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1cc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000351971042 286257701 /nfs/dbraw/zinc/25/77/01/286257701.db2.gz NOEPLMNCFUAJOQ-UKRRQHHQSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1cccc(NCCc2cn3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000185147890 158046903 /nfs/dbraw/zinc/04/69/03/158046903.db2.gz SJIYFHHTSSZUMD-UHFFFAOYSA-N 1 2 312.329 2.906 20 5 DFBDLO C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCOC1 ZINC000132026637 196219859 /nfs/dbraw/zinc/21/98/59/196219859.db2.gz NFVXZJOKLWKWFE-AWEZNQCLSA-N 1 2 319.386 2.939 20 5 DFBDLO C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCOC1 ZINC000132026637 196219860 /nfs/dbraw/zinc/21/98/60/196219860.db2.gz NFVXZJOKLWKWFE-AWEZNQCLSA-N 1 2 319.386 2.939 20 5 DFBDLO Cc1nc(N2CC[C@@H](CNc3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000133983277 196351577 /nfs/dbraw/zinc/35/15/77/196351577.db2.gz RSXBRVFBKUHDEX-ZDUSSCGKSA-N 1 2 313.361 2.632 20 5 DFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000295581326 225011080 /nfs/dbraw/zinc/01/10/80/225011080.db2.gz ZNRXKHOCQUKSEM-XHDPSFHLSA-N 1 2 309.341 2.746 20 5 DFBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@](C)(F)C1 ZINC000295581326 225011081 /nfs/dbraw/zinc/01/10/81/225011081.db2.gz ZNRXKHOCQUKSEM-XHDPSFHLSA-N 1 2 309.341 2.746 20 5 DFBDLO O=C(c1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000299592826 229240512 /nfs/dbraw/zinc/24/05/12/229240512.db2.gz WNNVXKCBHGLBKT-ZDUSSCGKSA-N 1 2 300.318 2.685 20 5 DFBDLO O=[N+]([O-])c1ccsc1NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000301987225 230021198 /nfs/dbraw/zinc/02/11/98/230021198.db2.gz KRTOSADKUBWVQC-UHFFFAOYSA-N 1 2 301.331 2.849 20 5 DFBDLO Cc1cccc2[nH+]c(CNc3cc(CO)ccc3[N+](=O)[O-])cn21 ZINC000302076658 230084758 /nfs/dbraw/zinc/08/47/58/230084758.db2.gz YLJKFPQIVSXPHZ-UHFFFAOYSA-N 1 2 312.329 2.655 20 5 DFBDLO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000069161180 425931471 /nfs/dbraw/zinc/93/14/71/425931471.db2.gz MNJPTRVTGIKAJZ-UHFFFAOYSA-N 1 2 313.357 2.974 20 5 DFBDLO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000069161180 425931472 /nfs/dbraw/zinc/93/14/72/425931472.db2.gz MNJPTRVTGIKAJZ-UHFFFAOYSA-N 1 2 313.357 2.974 20 5 DFBDLO Cc1ccc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000007976017 425656661 /nfs/dbraw/zinc/65/66/61/425656661.db2.gz FTLODRYXQHWSIB-UHFFFAOYSA-N 1 2 317.345 2.875 20 5 DFBDLO Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000007976017 425656663 /nfs/dbraw/zinc/65/66/63/425656663.db2.gz FTLODRYXQHWSIB-UHFFFAOYSA-N 1 2 317.345 2.875 20 5 DFBDLO C[C@@H](C(=O)N1CCC(C)CC1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026347177 425811927 /nfs/dbraw/zinc/81/19/27/425811927.db2.gz GESVGFBVHBKHTQ-AWEZNQCLSA-N 1 2 319.405 2.674 20 5 DFBDLO C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026347177 425811928 /nfs/dbraw/zinc/81/19/28/425811928.db2.gz GESVGFBVHBKHTQ-AWEZNQCLSA-N 1 2 319.405 2.674 20 5 DFBDLO CCN(CC(C)C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032665682 425839304 /nfs/dbraw/zinc/83/93/04/425839304.db2.gz DSRMSCAZDGJNMU-UHFFFAOYSA-N 1 2 316.361 2.899 20 5 DFBDLO CCC(CC)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599425 425865631 /nfs/dbraw/zinc/86/56/31/425865631.db2.gz HMBCSMJGMPJIOP-LBPRGKRZSA-N 1 2 307.394 2.720 20 5 DFBDLO CCC(CC)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599425 425865632 /nfs/dbraw/zinc/86/56/32/425865632.db2.gz HMBCSMJGMPJIOP-LBPRGKRZSA-N 1 2 307.394 2.720 20 5 DFBDLO Cc1ccccc1NC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192633240 268043579 /nfs/dbraw/zinc/04/35/79/268043579.db2.gz OFRYNOWGGKKWDV-UHFFFAOYSA-N 1 2 313.357 2.974 20 5 DFBDLO Cc1ccccc1NC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192633240 268043581 /nfs/dbraw/zinc/04/35/81/268043581.db2.gz OFRYNOWGGKKWDV-UHFFFAOYSA-N 1 2 313.357 2.974 20 5 DFBDLO CN(Cc1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000270988941 268245109 /nfs/dbraw/zinc/24/51/09/268245109.db2.gz WQZNNHQXPKCHHV-UHFFFAOYSA-N 1 2 314.267 2.984 20 5 DFBDLO CCc1cc(N[C@H]2C[C@@H](O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000295260210 268292109 /nfs/dbraw/zinc/29/21/09/268292109.db2.gz GVSSRMNPJSAOPC-XBXGTLAGSA-N 1 2 314.345 2.549 20 5 DFBDLO Cc1cnccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000107291722 425987652 /nfs/dbraw/zinc/98/76/52/425987652.db2.gz CTAAGUSLQZLWIX-UHFFFAOYSA-N 1 2 323.312 2.736 20 5 DFBDLO C[C@H](c1cccnc1)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000127901461 426092129 /nfs/dbraw/zinc/09/21/29/426092129.db2.gz YEFCWXVDNSVQAE-GFCCVEGCSA-N 1 2 314.345 2.621 20 5 DFBDLO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000127901461 426092131 /nfs/dbraw/zinc/09/21/31/426092131.db2.gz YEFCWXVDNSVQAE-GFCCVEGCSA-N 1 2 314.345 2.621 20 5 DFBDLO Cc1occc1C[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000128493403 426120408 /nfs/dbraw/zinc/12/04/08/426120408.db2.gz JRCXYUFXBCBVRM-LLVKDONJSA-N 1 2 317.345 2.955 20 5 DFBDLO Cc1occc1C[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000128493403 426120411 /nfs/dbraw/zinc/12/04/11/426120411.db2.gz JRCXYUFXBCBVRM-LLVKDONJSA-N 1 2 317.345 2.955 20 5 DFBDLO C[C@H](NC(=O)c1ccc2[nH+]ccn2c1)c1cccc([N+](=O)[O-])c1 ZINC000170870670 426157313 /nfs/dbraw/zinc/15/73/13/426157313.db2.gz QZNWMKKQFGAMLQ-NSHDSACASA-N 1 2 310.313 2.734 20 5 DFBDLO Cc1ccc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000119306719 426276681 /nfs/dbraw/zinc/27/66/81/426276681.db2.gz WDZVICRXBDMDGR-UHFFFAOYSA-N 1 2 314.345 2.682 20 5 DFBDLO CCC[C@H](C(=O)OCC)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606453 426277600 /nfs/dbraw/zinc/27/76/00/426277600.db2.gz DHCDZQFCGHLJDQ-OAHLLOKOSA-N 1 2 306.362 2.685 20 5 DFBDLO CCC[C@H](C(=O)OCC)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606453 426277601 /nfs/dbraw/zinc/27/76/01/426277601.db2.gz DHCDZQFCGHLJDQ-OAHLLOKOSA-N 1 2 306.362 2.685 20 5 DFBDLO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C)[nH+]c2C)c1 ZINC000121651783 426350969 /nfs/dbraw/zinc/35/09/69/426350969.db2.gz TXVCRKYPDUHIRM-UHFFFAOYSA-N 1 2 301.302 2.868 20 5 DFBDLO Cn1c[nH+]cc1CNc1cc(Br)cc([N+](=O)[O-])c1 ZINC000340606543 268990616 /nfs/dbraw/zinc/99/06/16/268990616.db2.gz ATMMLIXNIMKUPC-UHFFFAOYSA-N 1 2 311.139 2.703 20 5 DFBDLO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000340899029 269028457 /nfs/dbraw/zinc/02/84/57/269028457.db2.gz LAKPTYFQKRZMTO-MEBBXXQBSA-N 1 2 317.320 2.611 20 5 DFBDLO COc1cc[nH+]cc1NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000186346623 426510261 /nfs/dbraw/zinc/51/02/61/426510261.db2.gz IWYNAHTUISKKBG-UHFFFAOYSA-N 1 2 319.342 2.973 20 5 DFBDLO O=C(NCc1ccn2cc[nH+]c2c1)Nc1cccc([N+](=O)[O-])c1 ZINC000177784984 426520063 /nfs/dbraw/zinc/52/00/63/426520063.db2.gz AGVIIFBVJSZYPK-UHFFFAOYSA-N 1 2 311.301 2.564 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(NCCCCNc2cccc[nH+]2)n1 ZINC000178207633 426586224 /nfs/dbraw/zinc/58/62/24/426586224.db2.gz IAKVUGLWRPYCEV-UHFFFAOYSA-N 1 2 301.350 2.997 20 5 DFBDLO CO[C@H]1CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000234891470 426658247 /nfs/dbraw/zinc/65/82/47/426658247.db2.gz DYOZSGUEOPGYAX-JTQLQIEISA-N 1 2 315.167 2.578 20 5 DFBDLO CO[C@H]1CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000234891470 426658252 /nfs/dbraw/zinc/65/82/52/426658252.db2.gz DYOZSGUEOPGYAX-JTQLQIEISA-N 1 2 315.167 2.578 20 5 DFBDLO O=[N+]([O-])c1cc(-c2nc(CC3CC3)no2)ccc1-n1cc[nH+]c1 ZINC000266557185 426737738 /nfs/dbraw/zinc/73/77/38/426737738.db2.gz IZNBZKJQLCUURX-UHFFFAOYSA-N 1 2 311.301 2.783 20 5 DFBDLO CCC[C@]1(C)C(=O)NCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000189037601 426813079 /nfs/dbraw/zinc/81/30/79/426813079.db2.gz RBCXOHBRKQTGSF-DBWMJRBXSA-N 1 2 317.389 2.599 20 5 DFBDLO CCC[C@]1(C)C(=O)NCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000189037601 426813083 /nfs/dbraw/zinc/81/30/83/426813083.db2.gz RBCXOHBRKQTGSF-DBWMJRBXSA-N 1 2 317.389 2.599 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)Nc1cc[nH+]c(C)c1 ZINC000179813582 426819403 /nfs/dbraw/zinc/81/94/03/426819403.db2.gz HZFZEPKIJRJTKH-UHFFFAOYSA-N 1 2 316.317 2.629 20 5 DFBDLO CC(C)c1ccc(C(=O)N(C)Cc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000275814777 426924572 /nfs/dbraw/zinc/92/45/72/426924572.db2.gz CWRWRDFDZFUSOQ-UHFFFAOYSA-N 1 2 316.361 2.724 20 5 DFBDLO O=[N+]([O-])c1cnc(N2CCC[C@@H]2Cn2cc[nH+]c2)c(Cl)c1 ZINC000267330000 426875364 /nfs/dbraw/zinc/87/53/64/426875364.db2.gz BPPDXYWWSWZHAC-SNVBAGLBSA-N 1 2 307.741 2.509 20 5 DFBDLO Cc1cc(N[C@H](C)CCCO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000268039762 426898054 /nfs/dbraw/zinc/89/80/54/426898054.db2.gz NPCYOVVOPUAYIZ-LLVKDONJSA-N 1 2 316.361 2.933 20 5 DFBDLO Cc1nn(Cc2[nH+]ccn2Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000247899480 426965304 /nfs/dbraw/zinc/96/53/04/426965304.db2.gz IATITXGPOBFVTN-UHFFFAOYSA-N 1 2 311.345 2.701 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCc3ccccc3[C@H]2CO)c(F)c1 ZINC000268513323 427037038 /nfs/dbraw/zinc/03/70/38/427037038.db2.gz XICBEEHRQXAFJY-QGZVFWFLSA-N 1 2 316.332 2.826 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCc3ccccc3[C@H]2CO)c(F)c1 ZINC000268513323 427037043 /nfs/dbraw/zinc/03/70/43/427037043.db2.gz XICBEEHRQXAFJY-QGZVFWFLSA-N 1 2 316.332 2.826 20 5 DFBDLO CCOC(=O)[C@H](CC)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000190645524 271215395 /nfs/dbraw/zinc/21/53/95/271215395.db2.gz HHBUPJJZLCRKJL-HNNXBMFYSA-N 1 2 306.362 2.901 20 5 DFBDLO CCOC(=O)[C@H](CC)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000190645524 271215400 /nfs/dbraw/zinc/21/54/00/271215400.db2.gz HHBUPJJZLCRKJL-HNNXBMFYSA-N 1 2 306.362 2.901 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000297570897 271360419 /nfs/dbraw/zinc/36/04/19/271360419.db2.gz GQNCBVJAPBJKGZ-GWCFXTLKSA-N 1 2 302.334 2.596 20 5 DFBDLO CC[C@@]1(C)C[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CCO1 ZINC000191154156 427271631 /nfs/dbraw/zinc/27/16/31/427271631.db2.gz MXCLQPSSICJVIF-INIZCTEOSA-N 1 2 324.377 2.613 20 5 DFBDLO CC[C@@]1(C)C[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CCO1 ZINC000191154156 427271638 /nfs/dbraw/zinc/27/16/38/427271638.db2.gz MXCLQPSSICJVIF-INIZCTEOSA-N 1 2 324.377 2.613 20 5 DFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000330620070 427276124 /nfs/dbraw/zinc/27/61/24/427276124.db2.gz ZTADLXSUIHCFOL-ZDUSSCGKSA-N 1 2 319.405 2.846 20 5 DFBDLO COc1cc(C[N@H+](C)Cc2cccnc2)c([N+](=O)[O-])cc1OC ZINC000183657925 427313524 /nfs/dbraw/zinc/31/35/24/427313524.db2.gz HZXZNVSVIIDOAV-UHFFFAOYSA-N 1 2 317.345 2.639 20 5 DFBDLO COc1cc(C[N@@H+](C)Cc2cccnc2)c([N+](=O)[O-])cc1OC ZINC000183657925 427313531 /nfs/dbraw/zinc/31/35/31/427313531.db2.gz HZXZNVSVIIDOAV-UHFFFAOYSA-N 1 2 317.345 2.639 20 5 DFBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@H]1CCCCO1 ZINC000285919105 427373575 /nfs/dbraw/zinc/37/35/75/427373575.db2.gz HYVOMDFMZVXXPF-LLVKDONJSA-N 1 2 300.305 2.874 20 5 DFBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@H]1CCCCO1 ZINC000285919105 427373581 /nfs/dbraw/zinc/37/35/81/427373581.db2.gz HYVOMDFMZVXXPF-LLVKDONJSA-N 1 2 300.305 2.874 20 5 DFBDLO CC[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@H]1CCCO1 ZINC000285887178 427365678 /nfs/dbraw/zinc/36/56/78/427365678.db2.gz GBALOKBBZVFFKI-LLVKDONJSA-N 1 2 300.305 2.874 20 5 DFBDLO CC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@H]1CCCO1 ZINC000285887178 427365681 /nfs/dbraw/zinc/36/56/81/427365681.db2.gz GBALOKBBZVFFKI-LLVKDONJSA-N 1 2 300.305 2.874 20 5 DFBDLO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cocn3)CC2)cc1 ZINC000191945766 427448777 /nfs/dbraw/zinc/44/87/77/427448777.db2.gz FRVJRKBYKAWYJP-UHFFFAOYSA-N 1 2 303.318 2.626 20 5 DFBDLO CCn1cnnc1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279091518 427555642 /nfs/dbraw/zinc/55/56/42/427555642.db2.gz NKFDGSNOJVFEIY-CQSZACIVSA-N 1 2 315.377 2.718 20 5 DFBDLO Cc1cc(=O)[nH]c([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000279031597 427537846 /nfs/dbraw/zinc/53/78/46/427537846.db2.gz DOIJEWOTYCWJGC-GHMZBOCLSA-N 1 2 302.334 2.811 20 5 DFBDLO Cc1ccc(C[N@@H+]2CC[S@@](=O)C(C)(C)CC2)cc1[N+](=O)[O-] ZINC000332232010 427552506 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DFBDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000332259547 427561256 /nfs/dbraw/zinc/56/12/56/427561256.db2.gz ZQZIMKXETXVQDS-VNQPRFMTSA-N 1 2 324.352 2.502 20 5 DFBDLO COCC[C@@H]1CCCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000332305192 427572393 /nfs/dbraw/zinc/57/23/93/427572393.db2.gz LGSPEMDGRJENAX-ZDUSSCGKSA-N 1 2 308.378 2.939 20 5 DFBDLO COCC[C@@H]1CCCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000332305192 427572397 /nfs/dbraw/zinc/57/23/97/427572397.db2.gz LGSPEMDGRJENAX-ZDUSSCGKSA-N 1 2 308.378 2.939 20 5 DFBDLO C[N@@H+](CCc1ccccc1O)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339083404 427668238 /nfs/dbraw/zinc/66/82/38/427668238.db2.gz ISBUZMOOAALNMJ-UHFFFAOYSA-N 1 2 302.330 2.681 20 5 DFBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000343041311 272078031 /nfs/dbraw/zinc/07/80/31/272078031.db2.gz WWYWUZFBDYGJMN-GFCCVEGCSA-N 1 2 321.402 2.523 20 5 DFBDLO Cn1cc[nH+]c1[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000343271109 272109685 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C[C@H](CNc1ccc(Cl)cc1[N+](=O)[O-])[N@@H+]1CCOC[C@@H]1C ZINC000301221211 427782450 /nfs/dbraw/zinc/78/24/50/427782450.db2.gz BWVCBGLRHOKKTH-MNOVXSKESA-N 1 2 313.785 2.769 20 5 DFBDLO C[C@H](CNc1ccc(Cl)cc1[N+](=O)[O-])[N@H+]1CCOC[C@@H]1C ZINC000301221211 427782453 /nfs/dbraw/zinc/78/24/53/427782453.db2.gz BWVCBGLRHOKKTH-MNOVXSKESA-N 1 2 313.785 2.769 20 5 DFBDLO C[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000301216929 427782680 /nfs/dbraw/zinc/78/26/80/427782680.db2.gz ZBFBRXYLMMLSMH-GHMZBOCLSA-N 1 2 313.785 2.769 20 5 DFBDLO CCC[C@H](O)CNc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301236803 427783340 /nfs/dbraw/zinc/78/33/40/427783340.db2.gz MFLZIDSNJJUGBX-AWEZNQCLSA-N 1 2 316.361 2.933 20 5 DFBDLO CCC[C@@H](O)CNc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301236804 427783535 /nfs/dbraw/zinc/78/35/35/427783535.db2.gz MFLZIDSNJJUGBX-CQSZACIVSA-N 1 2 316.361 2.933 20 5 DFBDLO CCn1c(C)nc([N+](=O)[O-])c1NCCc1[nH]c2ccccc2[nH+]1 ZINC000288013751 427728140 /nfs/dbraw/zinc/72/81/40/427728140.db2.gz BQRHZCBRWKBQTO-UHFFFAOYSA-N 1 2 314.349 2.651 20 5 DFBDLO Cc1cn2cc(NC(=O)c3ccc([N+](=O)[O-])cc3F)ccc2[nH+]1 ZINC000339275369 427747847 /nfs/dbraw/zinc/74/78/47/427747847.db2.gz QZLMCAKNVSMRCV-UHFFFAOYSA-N 1 2 314.276 2.942 20 5 DFBDLO CC[C@@](C)(CO)Nc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301527051 427802887 /nfs/dbraw/zinc/80/28/87/427802887.db2.gz IFCNPHTWYCODFG-INIZCTEOSA-N 1 2 316.361 2.933 20 5 DFBDLO O=[N+]([O-])c1ccsc1NCc1ccc[nH+]c1N1CCOCC1 ZINC000301940522 427845201 /nfs/dbraw/zinc/84/52/01/427845201.db2.gz UOCFAPTXXKZJQY-UHFFFAOYSA-N 1 2 320.374 2.500 20 5 DFBDLO COc1ccc(CNc2cc(C)[nH+]c(C(C)C)n2)cc1[N+](=O)[O-] ZINC000339953599 427883451 /nfs/dbraw/zinc/88/34/51/427883451.db2.gz SXPRDFYHAPBHGI-UHFFFAOYSA-N 1 2 316.361 3.437 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+](Cc2ccco2)CC1 ZINC000349964650 427909693 /nfs/dbraw/zinc/90/96/93/427909693.db2.gz JZKXPAFHYJBVOZ-UHFFFAOYSA-N 1 2 315.373 2.814 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(Cc2ccco2)CC1 ZINC000349964650 427909696 /nfs/dbraw/zinc/90/96/96/427909696.db2.gz JZKXPAFHYJBVOZ-UHFFFAOYSA-N 1 2 315.373 2.814 20 5 DFBDLO Cc1nc(NCCc2ccc([N+](=O)[O-])cc2)c2c([nH+]1)CCCC2 ZINC000359719921 427988947 /nfs/dbraw/zinc/98/89/47/427988947.db2.gz UYYTWOOMMDGHHF-UHFFFAOYSA-N 1 2 312.373 3.227 20 5 DFBDLO CCc1c[nH+]ccc1NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000340339547 427991078 /nfs/dbraw/zinc/99/10/78/427991078.db2.gz LLTCJYZDVQDOMI-UHFFFAOYSA-N 1 2 313.357 2.890 20 5 DFBDLO C[S@@](=O)C1(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000413278058 428009961 /nfs/dbraw/zinc/00/99/61/428009961.db2.gz YIGSDDYEDXHHRQ-JOCHJYFZSA-N 1 2 319.386 2.856 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC(F)(F)[C@@H](CO)C3)c2c1 ZINC000413314822 428019552 /nfs/dbraw/zinc/01/95/52/428019552.db2.gz UOCJOGZSICEASG-LLVKDONJSA-N 1 2 323.299 2.597 20 5 DFBDLO COC1(C)CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000346243212 428087706 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DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411924612 428884896 /nfs/dbraw/zinc/88/48/96/428884896.db2.gz MGIRDWGBCIVEHS-RDJZCZTQSA-N 1 2 314.341 2.608 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411924612 428884900 /nfs/dbraw/zinc/88/49/00/428884900.db2.gz MGIRDWGBCIVEHS-RDJZCZTQSA-N 1 2 314.341 2.608 20 5 DFBDLO Cc1nnc([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)[nH]1 ZINC000412049492 428929413 /nfs/dbraw/zinc/92/94/13/428929413.db2.gz YOUIWHDJSODOBF-LLVKDONJSA-N 1 2 321.768 2.664 20 5 DFBDLO Cc1nnc([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)[nH]1 ZINC000412049492 428929418 /nfs/dbraw/zinc/92/94/18/428929418.db2.gz YOUIWHDJSODOBF-LLVKDONJSA-N 1 2 321.768 2.664 20 5 DFBDLO Cc1n[nH]c([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)n1 ZINC000412049492 428929423 /nfs/dbraw/zinc/92/94/23/428929423.db2.gz YOUIWHDJSODOBF-LLVKDONJSA-N 1 2 321.768 2.664 20 5 DFBDLO Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)n1 ZINC000412049492 428929429 /nfs/dbraw/zinc/92/94/29/428929429.db2.gz YOUIWHDJSODOBF-LLVKDONJSA-N 1 2 321.768 2.664 20 5 DFBDLO Cc1nc([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)n[nH]1 ZINC000412049492 428929431 /nfs/dbraw/zinc/92/94/31/428929431.db2.gz YOUIWHDJSODOBF-LLVKDONJSA-N 1 2 321.768 2.664 20 5 DFBDLO Cc1nc([C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)n[nH]1 ZINC000412049492 428929438 /nfs/dbraw/zinc/92/94/38/428929438.db2.gz YOUIWHDJSODOBF-LLVKDONJSA-N 1 2 321.768 2.664 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1N1CCC([C@@H](O)c2[nH]cc[nH+]2)CC1 ZINC000375658646 428936033 /nfs/dbraw/zinc/93/60/33/428936033.db2.gz SFMOPWXXWZZIFU-OAHLLOKOSA-N 1 2 316.361 2.576 20 5 DFBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000363596387 428951155 /nfs/dbraw/zinc/95/11/55/428951155.db2.gz CJJOBWFQMWOBSA-CQSZACIVSA-N 1 2 306.753 2.892 20 5 DFBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000363596387 428951162 /nfs/dbraw/zinc/95/11/62/428951162.db2.gz CJJOBWFQMWOBSA-CQSZACIVSA-N 1 2 306.753 2.892 20 5 DFBDLO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccon2)cccc1[N+](=O)[O-] ZINC000349254528 428952237 /nfs/dbraw/zinc/95/22/37/428952237.db2.gz YTGDFMFRGCYAEG-GHMZBOCLSA-N 1 2 318.333 2.569 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c(F)c1 ZINC000451910665 429017891 /nfs/dbraw/zinc/01/78/91/429017891.db2.gz OGLIVOOLYSJXGK-OAHLLOKOSA-N 1 2 312.316 2.876 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@]3(CCOC3)C2)c(F)c1 ZINC000451910665 429017893 /nfs/dbraw/zinc/01/78/93/429017893.db2.gz OGLIVOOLYSJXGK-OAHLLOKOSA-N 1 2 312.316 2.876 20 5 DFBDLO Cc1nc([C@@](C)([NH2+]Cc2ccc([N+](=O)[O-])cc2)C2CC2)no1 ZINC000433290587 429020788 /nfs/dbraw/zinc/02/07/88/429020788.db2.gz TUWSCSCFNXFTEA-HNNXBMFYSA-N 1 2 302.334 2.701 20 5 DFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000433020425 428980944 /nfs/dbraw/zinc/98/09/44/428980944.db2.gz CIORYXGZUKFCJD-FBUCPCEVSA-N 1 2 322.430 2.699 20 5 DFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000433020425 428980951 /nfs/dbraw/zinc/98/09/51/428980951.db2.gz CIORYXGZUKFCJD-FBUCPCEVSA-N 1 2 322.430 2.699 20 5 DFBDLO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H](O)Cc1ccccc1 ZINC000433071358 428990906 /nfs/dbraw/zinc/99/09/06/428990906.db2.gz JQIZTINUXMMVOH-AWEZNQCLSA-N 1 2 318.348 2.769 20 5 DFBDLO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H](O)Cc1ccccc1 ZINC000433071358 428990912 /nfs/dbraw/zinc/99/09/12/428990912.db2.gz JQIZTINUXMMVOH-AWEZNQCLSA-N 1 2 318.348 2.769 20 5 DFBDLO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1nncn1C ZINC000433171346 429003107 /nfs/dbraw/zinc/00/31/07/429003107.db2.gz DSGIDOAZQRISKJ-IINYFYTJSA-N 1 2 315.377 2.797 20 5 DFBDLO C[C@H](NC(=O)[C@H]1CCCc2[nH+]c[nH]c21)c1ccc([N+](=O)[O-])cc1 ZINC000452570589 429129551 /nfs/dbraw/zinc/12/95/51/429129551.db2.gz COZDTAZCPSRNOG-GWCFXTLKSA-N 1 2 314.345 2.615 20 5 DFBDLO C[C@H](NC(=O)[C@H]1CCCc2[nH]c[nH+]c21)c1ccc([N+](=O)[O-])cc1 ZINC000452570589 429129555 /nfs/dbraw/zinc/12/95/55/429129555.db2.gz COZDTAZCPSRNOG-GWCFXTLKSA-N 1 2 314.345 2.615 20 5 DFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCCOCC1 ZINC000425398108 429284468 /nfs/dbraw/zinc/28/44/68/429284468.db2.gz MYTUUYBXZXSWMF-UHFFFAOYSA-N 1 2 315.167 2.580 20 5 DFBDLO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCCOCC1 ZINC000425398108 429284473 /nfs/dbraw/zinc/28/44/73/429284473.db2.gz MYTUUYBXZXSWMF-UHFFFAOYSA-N 1 2 315.167 2.580 20 5 DFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000456365557 429288540 /nfs/dbraw/zinc/28/85/40/429288540.db2.gz ZAMIDTVUNILVTB-NSHDSACASA-N 1 2 302.334 2.611 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c(Cl)c1 ZINC000425355605 429273751 /nfs/dbraw/zinc/27/37/51/429273751.db2.gz VAWSTFNQXPKWMV-ZDUSSCGKSA-N 1 2 321.768 2.677 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](n3ccnn3)C2)c(Cl)c1 ZINC000425355605 429273755 /nfs/dbraw/zinc/27/37/55/429273755.db2.gz VAWSTFNQXPKWMV-ZDUSSCGKSA-N 1 2 321.768 2.677 20 5 DFBDLO Cc1c(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)cccc1[N+](=O)[O-] ZINC000456386886 429293585 /nfs/dbraw/zinc/29/35/85/429293585.db2.gz OYQWDGMKOMATGM-CABZTGNLSA-N 1 2 300.318 2.536 20 5 DFBDLO Cc1c(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)cccc1[N+](=O)[O-] ZINC000456386888 429294014 /nfs/dbraw/zinc/29/40/14/429294014.db2.gz OYQWDGMKOMATGM-SKDRFNHKSA-N 1 2 300.318 2.536 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000456396567 429298087 /nfs/dbraw/zinc/29/80/87/429298087.db2.gz SULILIPHCPDPJM-GXFFZTMASA-N 1 2 300.318 2.536 20 5 DFBDLO COc1ccc2c(c1)C[N@@H+](Cc1ccccc1[N+](=O)[O-])CCO2 ZINC000449521335 429440979 /nfs/dbraw/zinc/44/09/79/429440979.db2.gz GLYVPKQBUJBZTA-UHFFFAOYSA-N 1 2 314.341 2.998 20 5 DFBDLO COc1ccc2c(c1)C[N@H+](Cc1ccccc1[N+](=O)[O-])CCO2 ZINC000449521335 429440985 /nfs/dbraw/zinc/44/09/85/429440985.db2.gz GLYVPKQBUJBZTA-UHFFFAOYSA-N 1 2 314.341 2.998 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc2[nH+]ccn21 ZINC000427358928 429445493 /nfs/dbraw/zinc/44/54/93/429445493.db2.gz SUZUYGVBGIBOOM-UHFFFAOYSA-N 1 2 312.285 2.503 20 5 DFBDLO [NH3+][C@H](CC1CCCCC1)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000519598311 429468485 /nfs/dbraw/zinc/46/84/85/429468485.db2.gz DQOBACVMQCYTCO-GFCCVEGCSA-N 1 2 307.350 2.537 20 5 DFBDLO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCO[C@H]4C[C@H]43)o2)c1 ZINC000366543836 429471764 /nfs/dbraw/zinc/47/17/64/429471764.db2.gz JUUWKBQPVPXWAA-ZBFHGGJFSA-N 1 2 300.314 2.828 20 5 DFBDLO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCO[C@H]4C[C@H]43)o2)c1 ZINC000366543836 429471768 /nfs/dbraw/zinc/47/17/68/429471768.db2.gz JUUWKBQPVPXWAA-ZBFHGGJFSA-N 1 2 300.314 2.828 20 5 DFBDLO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCO[C@@H]4C[C@@H]43)o2)c1 ZINC000366543833 429472220 /nfs/dbraw/zinc/47/22/20/429472220.db2.gz JUUWKBQPVPXWAA-GOEBONIOSA-N 1 2 300.314 2.828 20 5 DFBDLO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCO[C@@H]4C[C@@H]43)o2)c1 ZINC000366543833 429472224 /nfs/dbraw/zinc/47/22/24/429472224.db2.gz JUUWKBQPVPXWAA-GOEBONIOSA-N 1 2 300.314 2.828 20 5 DFBDLO CN(Cc1cn2c([nH+]1)CCCC2)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000366974007 429551582 /nfs/dbraw/zinc/55/15/82/429551582.db2.gz DESQFHDCJDJFTC-UHFFFAOYSA-N 1 2 318.352 2.899 20 5 DFBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492903584 429640854 /nfs/dbraw/zinc/64/08/54/429640854.db2.gz UCSJVXIIBNZUKI-YVMONPNESA-N 1 2 314.345 2.768 20 5 DFBDLO CCC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)CCO1 ZINC000492720196 429601273 /nfs/dbraw/zinc/60/12/73/429601273.db2.gz HGIWRSWMLLRFGC-AWEZNQCLSA-N 1 2 308.378 2.994 20 5 DFBDLO CCC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)CCO1 ZINC000492720196 429601276 /nfs/dbraw/zinc/60/12/76/429601276.db2.gz HGIWRSWMLLRFGC-AWEZNQCLSA-N 1 2 308.378 2.994 20 5 DFBDLO CCOc1cc(N2CC[NH+](CC3(F)CC3)CC2)ccc1[N+](=O)[O-] ZINC000525999711 429692396 /nfs/dbraw/zinc/69/23/96/429692396.db2.gz JYWVSXYAPLJGGP-UHFFFAOYSA-N 1 2 323.368 2.618 20 5 DFBDLO CCn1cc[nH+]c1[C@H](C)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000450825905 429708245 /nfs/dbraw/zinc/70/82/45/429708245.db2.gz FWCIVXSYUULHRE-JTQLQIEISA-N 1 2 312.333 2.928 20 5 DFBDLO CCn1cc[nH+]c1[C@@H](C)Nc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000450827454 429708793 /nfs/dbraw/zinc/70/87/93/429708793.db2.gz HUUVBEJVUCRHKM-SNVBAGLBSA-N 1 2 318.333 2.771 20 5 DFBDLO Cc1c[nH]c(C(C)(C)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000493760877 429824937 /nfs/dbraw/zinc/82/49/37/429824937.db2.gz VBDYTAMBECHBLI-BQYQJAHWSA-N 1 2 314.345 2.691 20 5 DFBDLO C/C(=C/c1ccccc1)C[N@@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000494232959 429861794 /nfs/dbraw/zinc/86/17/94/429861794.db2.gz FBGXAQYCFUHVKS-LCYFTJDESA-N 1 2 300.362 2.864 20 5 DFBDLO C/C(=C/c1ccccc1)C[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000494232959 429861796 /nfs/dbraw/zinc/86/17/96/429861796.db2.gz FBGXAQYCFUHVKS-LCYFTJDESA-N 1 2 300.362 2.864 20 5 DFBDLO O=[N+]([O-])c1cnn([C@@H]2CCCN(c3[nH]c4ccccc4[nH+]3)C2)c1 ZINC000369010258 429906673 /nfs/dbraw/zinc/90/66/73/429906673.db2.gz PPMARNJPSVNJMS-LLVKDONJSA-N 1 2 312.333 2.509 20 5 DFBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000369410323 429938584 /nfs/dbraw/zinc/93/85/84/429938584.db2.gz WNDZPLKJUVUWSY-BFQNTYOBSA-N 1 2 324.352 2.502 20 5 DFBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000369410323 429938588 /nfs/dbraw/zinc/93/85/88/429938588.db2.gz WNDZPLKJUVUWSY-BFQNTYOBSA-N 1 2 324.352 2.502 20 5 DFBDLO O=C(NCc1cccc([N+](=O)[O-])c1)Nc1ccn2cc[nH+]c2c1 ZINC000581279822 430194023 /nfs/dbraw/zinc/19/40/23/430194023.db2.gz KQYGKZCEYIZBAN-UHFFFAOYSA-N 1 2 311.301 2.564 20 5 DFBDLO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1O)C1CCCCC1 ZINC000546015399 430342068 /nfs/dbraw/zinc/34/20/68/430342068.db2.gz AFYMCCDQZLFKFM-UHFFFAOYSA-N 1 2 321.377 2.894 20 5 DFBDLO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1O)C1CCCCC1 ZINC000546015399 430342072 /nfs/dbraw/zinc/34/20/72/430342072.db2.gz AFYMCCDQZLFKFM-UHFFFAOYSA-N 1 2 321.377 2.894 20 5 DFBDLO CCn1cc(C[N@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])cn1 ZINC000546637260 430361146 /nfs/dbraw/zinc/36/11/46/430361146.db2.gz VUUWHMSEHVIUQB-UHFFFAOYSA-N 1 2 322.340 2.591 20 5 DFBDLO CCn1cc(C[N@@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])cn1 ZINC000546637260 430361150 /nfs/dbraw/zinc/36/11/50/430361150.db2.gz VUUWHMSEHVIUQB-UHFFFAOYSA-N 1 2 322.340 2.591 20 5 DFBDLO CCn1cc[nH+]c1[C@@H](C)Nc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000569940860 430499913 /nfs/dbraw/zinc/49/99/13/430499913.db2.gz IUWPHPPEKHPUOS-LLVKDONJSA-N 1 2 319.365 3.167 20 5 DFBDLO O=[N+]([O-])c1ccc(CNc2[nH+]c(C3CC3)nc3[nH]ccc32)cc1 ZINC000601106185 430536079 /nfs/dbraw/zinc/53/60/79/430536079.db2.gz VADACMQCYHOCKV-UHFFFAOYSA-N 1 2 309.329 3.356 20 5 DFBDLO O=[N+]([O-])c1ccc2[nH]c(N3CCC(c4c[nH]c[nH+]4)CC3)nc2c1 ZINC000570771613 430574265 /nfs/dbraw/zinc/57/42/65/430574265.db2.gz QDIRUIKTVHXJDR-UHFFFAOYSA-N 1 2 312.333 2.578 20 5 DFBDLO O=[N+]([O-])c1ccc2[nH]c(N3CCC(c4c[nH+]c[nH]4)CC3)nc2c1 ZINC000570771613 430574268 /nfs/dbraw/zinc/57/42/68/430574268.db2.gz QDIRUIKTVHXJDR-UHFFFAOYSA-N 1 2 312.333 2.578 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@](O)(C(F)(F)F)C2)c(F)c1 ZINC000330710805 280363310 /nfs/dbraw/zinc/36/33/10/280363310.db2.gz PPEPTHFOTISNJR-GFCCVEGCSA-N 1 2 322.258 2.623 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)C2)c(F)c1 ZINC000330710805 280363311 /nfs/dbraw/zinc/36/33/11/280363311.db2.gz PPEPTHFOTISNJR-GFCCVEGCSA-N 1 2 322.258 2.623 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000356345101 281021422 /nfs/dbraw/zinc/02/14/22/281021422.db2.gz AFSQGHGLDSKVAQ-ZDUSSCGKSA-N 1 2 305.378 2.517 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000356345101 281021424 /nfs/dbraw/zinc/02/14/24/281021424.db2.gz AFSQGHGLDSKVAQ-ZDUSSCGKSA-N 1 2 305.378 2.517 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000363356715 289082809 /nfs/dbraw/zinc/08/28/09/289082809.db2.gz UEJNDDODENTGMC-UHFFFAOYSA-N 1 2 316.336 2.757 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000363356715 289082813 /nfs/dbraw/zinc/08/28/13/289082813.db2.gz UEJNDDODENTGMC-UHFFFAOYSA-N 1 2 316.336 2.757 20 5 DFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000285243009 290266749 /nfs/dbraw/zinc/26/67/49/290266749.db2.gz GSYQIZVXFYQLKG-CZUORRHYSA-N 1 2 306.362 2.537 20 5 DFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000285243009 290266750 /nfs/dbraw/zinc/26/67/50/290266750.db2.gz GSYQIZVXFYQLKG-CZUORRHYSA-N 1 2 306.362 2.537 20 5 DFBDLO Cn1cc([C@@H]2CSCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000191738815 294286635 /nfs/dbraw/zinc/28/66/35/294286635.db2.gz PJRYGWXSDMVDDJ-HNNXBMFYSA-N 1 2 318.402 2.618 20 5 DFBDLO Cn1cc([C@@H]2CSCC[N@H+]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000191738815 294286637 /nfs/dbraw/zinc/28/66/37/294286637.db2.gz PJRYGWXSDMVDDJ-HNNXBMFYSA-N 1 2 318.402 2.618 20 5 DFBDLO CCn1cc[nH+]c1/C=C/C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000158663818 295366175 /nfs/dbraw/zinc/36/61/75/295366175.db2.gz AYFPRNORJCZNAZ-VOTSOKGWSA-N 1 2 300.318 2.772 20 5 DFBDLO CCOc1ccc(C(=O)N[C@H](CC)c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000442808247 297207637 /nfs/dbraw/zinc/20/76/37/297207637.db2.gz GTNFHPKWHHXYAC-LLVKDONJSA-N 1 2 318.333 2.598 20 5 DFBDLO CC[C@H](C)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448793781 297369092 /nfs/dbraw/zinc/36/90/92/297369092.db2.gz SXVDURFJTHJLAT-NWDGAFQWSA-N 1 2 316.361 2.945 20 5 DFBDLO Cc1ccc(C(=O)Nc2c[nH+]c3n2CCCC3)cc1[N+](=O)[O-] ZINC000452341549 297961297 /nfs/dbraw/zinc/96/12/97/297961297.db2.gz KAISMNSTDKOOOA-UHFFFAOYSA-N 1 2 300.318 2.688 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000455189243 298315806 /nfs/dbraw/zinc/31/58/06/298315806.db2.gz NLPKQHJJPLGEJG-GWCFXTLKSA-N 1 2 315.333 2.927 20 5 DFBDLO Cc1cc(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)ccc1[N+](=O)[O-] ZINC000456350006 298503068 /nfs/dbraw/zinc/50/30/68/298503068.db2.gz HRZSHIPPZAFATH-JQWIXIFHSA-N 1 2 300.318 2.536 20 5 DFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000456391080 298516449 /nfs/dbraw/zinc/51/64/49/298516449.db2.gz PCAAFONCZWTKCG-LLVKDONJSA-N 1 2 302.334 2.611 20 5 DFBDLO CCCC[C@@H](C(=O)OC)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511072989 300248429 /nfs/dbraw/zinc/24/84/29/300248429.db2.gz HTLVHNTUMHNOCF-HNNXBMFYSA-N 1 2 308.378 2.801 20 5 DFBDLO CCCC[C@@H](C(=O)OC)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511072989 300248430 /nfs/dbraw/zinc/24/84/30/300248430.db2.gz HTLVHNTUMHNOCF-HNNXBMFYSA-N 1 2 308.378 2.801 20 5 DFBDLO CCC[C@@H](C(=O)OCC)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511105536 300248814 /nfs/dbraw/zinc/24/88/14/300248814.db2.gz JAWCGOFCSFNROY-HNNXBMFYSA-N 1 2 308.378 2.801 20 5 DFBDLO CCC[C@@H](C(=O)OCC)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511105536 300248816 /nfs/dbraw/zinc/24/88/16/300248816.db2.gz JAWCGOFCSFNROY-HNNXBMFYSA-N 1 2 308.378 2.801 20 5 DFBDLO C[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000516870620 300365560 /nfs/dbraw/zinc/36/55/60/300365560.db2.gz ISMWAVGHTKTARZ-RYUDHWBXSA-N 1 2 302.334 2.620 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000359089668 301204807 /nfs/dbraw/zinc/20/48/07/301204807.db2.gz DDPZEBUGTQAYHB-BXUZGUMPSA-N 1 2 315.377 2.891 20 5 DFBDLO Cc1ccnc(N2CC[NH+](Cc3ccsc3)CC2)c1[N+](=O)[O-] ZINC000536018733 301266454 /nfs/dbraw/zinc/26/64/54/301266454.db2.gz RHGRJMWBKWXJFN-UHFFFAOYSA-N 1 2 318.402 2.682 20 5 DFBDLO C[C@H](C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21)c1cccc([N+](=O)[O-])c1 ZINC000560460110 301897519 /nfs/dbraw/zinc/89/75/19/301897519.db2.gz HNLPPBKYKBBOPU-UHIISALHSA-N 1 2 314.345 2.717 20 5 DFBDLO C[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000565954714 302250529 /nfs/dbraw/zinc/25/05/29/302250529.db2.gz QOTDMLIKQMLUDY-VXGBXAGGSA-N 1 2 302.334 2.620 20 5 DFBDLO CC(C)(C)n1ncnc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566473780 302290807 /nfs/dbraw/zinc/29/08/07/302290807.db2.gz DETMVBVMZHUWAU-ZDUSSCGKSA-N 1 2 315.377 2.718 20 5 DFBDLO CCc1nnc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000567123524 302338381 /nfs/dbraw/zinc/33/83/81/302338381.db2.gz KUNHSJFDHQNKDF-LLVKDONJSA-N 1 2 304.375 2.786 20 5 DFBDLO Cn1nc(C2CC2)nc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000567771596 302388338 /nfs/dbraw/zinc/38/83/38/302388338.db2.gz LFAYMDYTAARVKZ-UHFFFAOYSA-N 1 2 315.377 2.626 20 5 DFBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc2[nH+]ccn2c1 ZINC000170867348 315901459 /nfs/dbraw/zinc/90/14/59/315901459.db2.gz OXTPZYSQASBCMH-UHFFFAOYSA-N 1 2 310.313 2.515 20 5 DFBDLO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000185067981 316179176 /nfs/dbraw/zinc/17/91/76/316179176.db2.gz LAFLEXUHAKCBHS-SNVBAGLBSA-N 1 2 320.374 2.731 20 5 DFBDLO O=[N+]([O-])c1cc2c(ncnc2NCCCCn2cc[nH+]c2)s1 ZINC000320339732 316253483 /nfs/dbraw/zinc/25/34/83/316253483.db2.gz NCCOMEPAGUVNQC-UHFFFAOYSA-N 1 2 318.362 2.688 20 5 DFBDLO O=[N+]([O-])c1ccc(-c2nc(CC3CC3)no2)cc1-n1cc[nH+]c1 ZINC000351056374 316457979 /nfs/dbraw/zinc/45/79/79/316457979.db2.gz LNGGCTVTXAORLD-UHFFFAOYSA-N 1 2 311.301 2.783 20 5 DFBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000573577894 318022142 /nfs/dbraw/zinc/02/21/42/318022142.db2.gz ZSIHOFRKSXGIAH-DGCLKSJQSA-N 1 2 316.361 2.764 20 5 DFBDLO C[C@@H](C(=O)Nc1cccc2[nH+]ccn21)c1cccc([N+](=O)[O-])c1 ZINC000575859131 318087637 /nfs/dbraw/zinc/08/76/37/318087637.db2.gz XMRDNMONIKQSHF-LLVKDONJSA-N 1 2 310.313 2.985 20 5 DFBDLO CCOc1cc(C[N@@H+]2CCOC[C@@H]2C2CCC2)ccc1[N+](=O)[O-] ZINC000575985900 318096634 /nfs/dbraw/zinc/09/66/34/318096634.db2.gz DKGGSNRIMOBRGD-MRXNPFEDSA-N 1 2 320.389 2.994 20 5 DFBDLO CCOc1cc(C[N@H+]2CCOC[C@@H]2C2CCC2)ccc1[N+](=O)[O-] ZINC000575985900 318096636 /nfs/dbraw/zinc/09/66/36/318096636.db2.gz DKGGSNRIMOBRGD-MRXNPFEDSA-N 1 2 320.389 2.994 20 5 DFBDLO CC(C)c1nnc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])[nH]1 ZINC000578379052 318257334 /nfs/dbraw/zinc/25/73/34/318257334.db2.gz XEKDGYSVWIIYCB-LBPRGKRZSA-N 1 2 301.350 2.613 20 5 DFBDLO Cn1cc(Cl)c(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000579376550 318327278 /nfs/dbraw/zinc/32/72/78/318327278.db2.gz WCMJEKRORHWWEK-LBPRGKRZSA-N 1 2 306.753 2.759 20 5 DFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000584588609 337370158 /nfs/dbraw/zinc/37/01/58/337370158.db2.gz RKDZEOLYYZGHPN-DOMZBBRYSA-N 1 2 308.403 2.864 20 5 DFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000584588609 337370159 /nfs/dbraw/zinc/37/01/59/337370159.db2.gz RKDZEOLYYZGHPN-DOMZBBRYSA-N 1 2 308.403 2.864 20 5 DFBDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000359450721 500922397 /nfs/dbraw/zinc/92/23/97/500922397.db2.gz WLEDRUBDOWNELR-CYBMUJFWSA-N 1 2 323.356 3.354 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1cccn1C ZINC000156962772 521281621 /nfs/dbraw/zinc/28/16/21/521281621.db2.gz HHPDFCBECNCDLP-UHFFFAOYSA-N 1 2 303.362 2.964 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1cccn1C ZINC000156962772 521281633 /nfs/dbraw/zinc/28/16/33/521281633.db2.gz HHPDFCBECNCDLP-UHFFFAOYSA-N 1 2 303.362 2.964 20 5 DFBDLO 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DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCN(CC(F)F)CC2)c(F)c1 ZINC000091082726 398508996 /nfs/dbraw/zinc/50/89/96/398508996.db2.gz RGTRXJQTWLMKEE-UHFFFAOYSA-N 1 2 317.311 2.507 20 5 DFBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2cc3n(n2)CCC3)C2CC2)c1 ZINC000593017560 398521294 /nfs/dbraw/zinc/52/12/94/398521294.db2.gz BWXWNASIXINQAO-UHFFFAOYSA-N 1 2 312.373 2.902 20 5 DFBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cc3n(n2)CCC3)C2CC2)c1 ZINC000593017560 398521299 /nfs/dbraw/zinc/52/12/99/398521299.db2.gz BWXWNASIXINQAO-UHFFFAOYSA-N 1 2 312.373 2.902 20 5 DFBDLO CCOc1nnc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000271682525 209122269 /nfs/dbraw/zinc/12/22/69/209122269.db2.gz PUFSSGFTHYRRSA-VIFPVBQESA-N 1 2 308.363 2.696 20 5 DFBDLO C[C@H](CNc1ccc(C(F)F)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000589104758 398526850 /nfs/dbraw/zinc/52/68/50/398526850.db2.gz BBYAIYNCBKDWBQ-SNVBAGLBSA-N 1 2 315.320 2.665 20 5 DFBDLO Cn1c[nH+]cc1[C@@H]1CCCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000589128763 398529380 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20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)OCC12CCC2 ZINC000593089888 398542404 /nfs/dbraw/zinc/54/24/04/398542404.db2.gz VBYWCMWZGOOUIQ-LBPRGKRZSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)OCC12CCC2 ZINC000593089888 398542407 /nfs/dbraw/zinc/54/24/07/398542407.db2.gz VBYWCMWZGOOUIQ-LBPRGKRZSA-N 1 2 306.362 2.747 20 5 DFBDLO CCOc1cc(NC[C@H](C)Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000092612538 398587298 /nfs/dbraw/zinc/58/72/98/398587298.db2.gz QWOMXTFRUUXQAV-LBPRGKRZSA-N 1 2 304.350 2.938 20 5 DFBDLO Cc1cn2c([nH+]1)CN(c1ccnc3c1cccc3[N+](=O)[O-])CC2 ZINC000590083072 398594670 /nfs/dbraw/zinc/59/46/70/398594670.db2.gz IXCJDKSDAPAGHK-UHFFFAOYSA-N 1 2 309.329 2.668 20 5 DFBDLO C[C@@]1(C(F)F)C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000597253010 398608165 /nfs/dbraw/zinc/60/81/65/398608165.db2.gz WQYMSDDTQVYKCY-DRDHIDPGSA-N 1 2 312.316 2.964 20 5 DFBDLO C[C@@]1(C(F)F)C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000597253010 398608173 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CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccoc1 ZINC000102408265 398677534 /nfs/dbraw/zinc/67/75/34/398677534.db2.gz IOYLONVWRVOWOR-UHFFFAOYSA-N 1 2 317.345 2.673 20 5 DFBDLO CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccoc1 ZINC000102408265 398677538 /nfs/dbraw/zinc/67/75/38/398677538.db2.gz IOYLONVWRVOWOR-UHFFFAOYSA-N 1 2 317.345 2.673 20 5 DFBDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2cc(O)ccc2[N+](=O)[O-])on1 ZINC000331878450 234227337 /nfs/dbraw/zinc/22/73/37/234227337.db2.gz ZFUMFSOVYKNHLI-CQSZACIVSA-N 1 2 303.318 2.934 20 5 DFBDLO Cc1cc([C@H]2CCC[N@H+]2Cc2cc(O)ccc2[N+](=O)[O-])on1 ZINC000331878450 234227340 /nfs/dbraw/zinc/22/73/40/234227340.db2.gz ZFUMFSOVYKNHLI-CQSZACIVSA-N 1 2 303.318 2.934 20 5 DFBDLO COc1ccc(C[NH+]2CC(CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000590969189 398711247 /nfs/dbraw/zinc/71/12/47/398711247.db2.gz BYGMOYWADLLZCX-UHFFFAOYSA-N 1 2 304.268 2.988 20 5 DFBDLO Cc1ncccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000073347750 191307405 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316.361 2.764 20 5 DFBDLO CCOc1cc(C[N@@H+]2CCC[C@@]2(C)C(=O)OC)ccc1[N+](=O)[O-] ZINC000276902422 213163514 /nfs/dbraw/zinc/16/35/14/213163514.db2.gz LXFDSOGKWORMSY-INIZCTEOSA-N 1 2 322.361 2.521 20 5 DFBDLO CCOc1cc(C[N@H+]2CCC[C@@]2(C)C(=O)OC)ccc1[N+](=O)[O-] ZINC000276902422 213163516 /nfs/dbraw/zinc/16/35/16/213163516.db2.gz LXFDSOGKWORMSY-INIZCTEOSA-N 1 2 322.361 2.521 20 5 DFBDLO O=[N+]([O-])c1c(SCC[NH+]2CCOCC2)ccc2ncccc21 ZINC000179502992 199046674 /nfs/dbraw/zinc/04/66/74/199046674.db2.gz OJWBYPKYZCTJQR-UHFFFAOYSA-N 1 2 319.386 2.567 20 5 DFBDLO O=[N+]([O-])c1cccnc1NC1CC[NH+](Cc2cscn2)CC1 ZINC000075721966 398820065 /nfs/dbraw/zinc/82/00/65/398820065.db2.gz XBZWDFMVZUBISN-UHFFFAOYSA-N 1 2 319.390 2.523 20 5 DFBDLO COC(=O)[C@@H]1CCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000179805674 199082127 /nfs/dbraw/zinc/08/21/27/199082127.db2.gz MYXDZCDZNXROCP-VFADXPBXSA-N 1 2 304.346 2.636 20 5 DFBDLO COC(=O)[C@@H]1CCCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000179805674 199082129 /nfs/dbraw/zinc/08/21/29/199082129.db2.gz MYXDZCDZNXROCP-VFADXPBXSA-N 1 2 304.346 2.636 20 5 DFBDLO CCCN(CCC)C(=O)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153248280 283358926 /nfs/dbraw/zinc/35/89/26/283358926.db2.gz JQTJRSCUUOOQPB-UHFFFAOYSA-N 1 2 319.405 2.602 20 5 DFBDLO CCCN(CCC)C(=O)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153248280 283358929 /nfs/dbraw/zinc/35/89/29/283358929.db2.gz JQTJRSCUUOOQPB-UHFFFAOYSA-N 1 2 319.405 2.602 20 5 DFBDLO CC(C)[C@@H](C)NC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153306306 283361568 /nfs/dbraw/zinc/36/15/68/283361568.db2.gz OXYYQELWFKGGHP-CYBMUJFWSA-N 1 2 319.405 2.720 20 5 DFBDLO CC(C)[C@@H](C)NC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153306306 283361573 /nfs/dbraw/zinc/36/15/73/283361573.db2.gz OXYYQELWFKGGHP-CYBMUJFWSA-N 1 2 319.405 2.720 20 5 DFBDLO CCOC(=O)[C@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000180762914 199206408 /nfs/dbraw/zinc/20/64/08/199206408.db2.gz ODSFXKLQNGMFAK-SBJJXXPASA-N 1 2 304.346 2.636 20 5 DFBDLO CCOC(=O)[C@H]1CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000180762914 199206409 /nfs/dbraw/zinc/20/64/09/199206409.db2.gz ODSFXKLQNGMFAK-SBJJXXPASA-N 1 2 304.346 2.636 20 5 DFBDLO COc1ccnc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1F ZINC000595080354 398902710 /nfs/dbraw/zinc/90/27/10/398902710.db2.gz KQQFKYGVENCWOS-SNVBAGLBSA-N 1 2 305.309 2.988 20 5 DFBDLO CCOC(=O)[C@@H](C)[N@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470173461 299293700 /nfs/dbraw/zinc/29/37/00/299293700.db2.gz BZXGYMNRHVFBCD-CNELAYHGSA-N 1 2 306.362 2.882 20 5 DFBDLO CCOC(=O)[C@@H](C)[N@@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470173461 299293702 /nfs/dbraw/zinc/29/37/02/299293702.db2.gz BZXGYMNRHVFBCD-CNELAYHGSA-N 1 2 306.362 2.882 20 5 DFBDLO CCOC(=O)CCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599017728 398908068 /nfs/dbraw/zinc/90/80/68/398908068.db2.gz AWVNATHSYNETPM-UHFFFAOYSA-N 1 2 303.318 2.898 20 5 DFBDLO CC(C)(C)C(=O)NCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599036811 398911111 /nfs/dbraw/zinc/91/11/11/398911111.db2.gz VWZKHHHOJCAGND-UHFFFAOYSA-N 1 2 316.361 2.717 20 5 DFBDLO C[C@H](O)C1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599044398 398911933 /nfs/dbraw/zinc/91/19/33/398911933.db2.gz ROYSYAPPTAUQJE-NSHDSACASA-N 1 2 301.346 2.740 20 5 DFBDLO O=[N+]([O-])c1c(NCCOC[C@@H]2CCCO2)ccc2c[nH+]ccc21 ZINC000599045165 398912276 /nfs/dbraw/zinc/91/22/76/398912276.db2.gz FMYQSNZJMHNZDE-ZDUSSCGKSA-N 1 2 317.345 2.751 20 5 DFBDLO C[C@@H](CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])[S@](C)=O ZINC000599053923 398913703 /nfs/dbraw/zinc/91/37/03/398913703.db2.gz AWYZONOTWKIBBR-CWKPULSASA-N 1 2 307.375 2.712 20 5 DFBDLO C[C@@H](CC[S@](C)=O)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599054515 398913820 /nfs/dbraw/zinc/91/38/20/398913820.db2.gz YRQLMUOVIHESFJ-CWKPULSASA-N 1 2 307.375 2.712 20 5 DFBDLO CS[C@H](CO)[C@@H](C)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599045624 398912702 /nfs/dbraw/zinc/91/27/02/398912702.db2.gz CLROSRPEPHSQFW-NOZJJQNGSA-N 1 2 307.375 2.667 20 5 DFBDLO Cc1noc(C[NH+]2CCN(c3cccc(C)c3)CC2)c1[N+](=O)[O-] ZINC000595287732 398916212 /nfs/dbraw/zinc/91/62/12/398916212.db2.gz GPYUNHZMYICWAB-UHFFFAOYSA-N 1 2 316.361 2.522 20 5 DFBDLO C[C@H](O)C[C@H]1CCCN1c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599057066 398914668 /nfs/dbraw/zinc/91/46/68/398914668.db2.gz CDYIHQJMGVWNSS-WCQYABFASA-N 1 2 301.346 2.883 20 5 DFBDLO COCC[N@H+](Cc1ccco1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595298462 398919171 /nfs/dbraw/zinc/91/91/71/398919171.db2.gz PDFLZDYCOLNTKN-UHFFFAOYSA-N 1 2 308.309 2.976 20 5 DFBDLO COCC[N@@H+](Cc1ccco1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595298462 398919172 /nfs/dbraw/zinc/91/91/72/398919172.db2.gz PDFLZDYCOLNTKN-UHFFFAOYSA-N 1 2 308.309 2.976 20 5 DFBDLO Cn1ncc2c1CCCN(c1ccc3c[nH+]ccc3c1[N+](=O)[O-])C2 ZINC000599087086 398919193 /nfs/dbraw/zinc/91/91/93/398919193.db2.gz ZWHGVAVESZEXBL-UHFFFAOYSA-N 1 2 323.356 2.829 20 5 DFBDLO COC(=O)C1([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])CCCC1 ZINC000595382373 398930130 /nfs/dbraw/zinc/93/01/30/398930130.db2.gz GOHOCNUCGSFORH-UHFFFAOYSA-N 1 2 310.325 2.652 20 5 DFBDLO COC(=O)C1([N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])CCCC1 ZINC000595382373 398930132 /nfs/dbraw/zinc/93/01/32/398930132.db2.gz GOHOCNUCGSFORH-UHFFFAOYSA-N 1 2 310.325 2.652 20 5 DFBDLO Cc1noc(C[NH+]2CC(Cc3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000595396002 398932078 /nfs/dbraw/zinc/93/20/78/398932078.db2.gz BFVXFCARBULWON-UHFFFAOYSA-N 1 2 305.309 2.705 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595617243 399004645 /nfs/dbraw/zinc/00/46/45/399004645.db2.gz HHOAXZRCMJEOBR-QGZVFWFLSA-N 1 2 320.389 2.994 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595617243 399004651 /nfs/dbraw/zinc/00/46/51/399004651.db2.gz HHOAXZRCMJEOBR-QGZVFWFLSA-N 1 2 320.389 2.994 20 5 DFBDLO Cc1noc(C[NH2+][C@@H](c2ccccn2)C2CCC2)c1[N+](=O)[O-] ZINC000599572752 399017451 /nfs/dbraw/zinc/01/74/51/399017451.db2.gz BCEDFHUPJQJDFY-CQSZACIVSA-N 1 2 302.334 2.917 20 5 DFBDLO COC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000595662904 399025066 /nfs/dbraw/zinc/02/50/66/399025066.db2.gz FGGGOBIPIGIYQF-UHFFFAOYSA-N 1 2 306.362 2.903 20 5 DFBDLO COC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000595662904 399025069 /nfs/dbraw/zinc/02/50/69/399025069.db2.gz FGGGOBIPIGIYQF-UHFFFAOYSA-N 1 2 306.362 2.903 20 5 DFBDLO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H](CCO)c3ccco3)nc2c1 ZINC000613584670 399030767 /nfs/dbraw/zinc/03/07/67/399030767.db2.gz YIGZZLAOESGDJH-LLVKDONJSA-N 1 2 317.301 2.542 20 5 DFBDLO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC000595691241 399036129 /nfs/dbraw/zinc/03/61/29/399036129.db2.gz ZOCZBHQRJHKKIF-GASCZTMLSA-N 1 2 312.316 2.731 20 5 DFBDLO C[C@@]12COC[C@]1(C)C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC000595691241 399036138 /nfs/dbraw/zinc/03/61/38/399036138.db2.gz ZOCZBHQRJHKKIF-GASCZTMLSA-N 1 2 312.316 2.731 20 5 DFBDLO CC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)C ZINC000057409624 399039768 /nfs/dbraw/zinc/03/97/68/399039768.db2.gz PJZACTUSBIWSFT-CYBMUJFWSA-N 1 2 316.361 2.945 20 5 DFBDLO O=C(C[N@@H+]1CC[C@@H]2C[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595812679 399094622 /nfs/dbraw/zinc/09/46/22/399094622.db2.gz YKIUOHSBMZGGCB-NXEZZACHSA-N 1 2 309.753 2.529 20 5 DFBDLO O=C(C[N@H+]1CC[C@@H]2C[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595812679 399094623 /nfs/dbraw/zinc/09/46/23/399094623.db2.gz YKIUOHSBMZGGCB-NXEZZACHSA-N 1 2 309.753 2.529 20 5 DFBDLO COC(=O)C1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000093097653 193203199 /nfs/dbraw/zinc/20/31/99/193203199.db2.gz JZHAVWSMLBUCFQ-UHFFFAOYSA-N 1 2 312.753 2.633 20 5 DFBDLO COC[C@H]1C[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000093528863 193265231 /nfs/dbraw/zinc/26/52/31/193265231.db2.gz UPBMOVUIAUSBAM-CQSZACIVSA-N 1 2 308.378 2.565 20 5 DFBDLO COC[C@H]1C[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000093528863 193265233 /nfs/dbraw/zinc/26/52/33/193265233.db2.gz UPBMOVUIAUSBAM-CQSZACIVSA-N 1 2 308.378 2.565 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCc2cc(F)ccc2C1 ZINC000340291908 284168088 /nfs/dbraw/zinc/16/80/88/284168088.db2.gz MOQWXOXRFKCESO-UHFFFAOYSA-N 1 2 302.305 2.998 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCc2cc(F)ccc2C1 ZINC000340291908 284168090 /nfs/dbraw/zinc/16/80/90/284168090.db2.gz MOQWXOXRFKCESO-UHFFFAOYSA-N 1 2 302.305 2.998 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595908455 399131774 /nfs/dbraw/zinc/13/17/74/399131774.db2.gz IKYQQPKPRYKBRK-CALCHBBNSA-N 1 2 318.373 2.693 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595908455 399131777 /nfs/dbraw/zinc/13/17/77/399131777.db2.gz IKYQQPKPRYKBRK-CALCHBBNSA-N 1 2 318.373 2.693 20 5 DFBDLO CCC[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000483823662 299414606 /nfs/dbraw/zinc/41/46/06/299414606.db2.gz PXXZPZBUODGLGJ-JSGCOSHPSA-N 1 2 308.378 2.847 20 5 DFBDLO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3C)CC2)no1 ZINC000080537013 399157118 /nfs/dbraw/zinc/15/71/18/399157118.db2.gz HSVCFSSTTRYTNO-UHFFFAOYSA-N 1 2 316.361 2.522 20 5 DFBDLO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@]2(CCOC2)O1 ZINC000282466835 217017178 /nfs/dbraw/zinc/01/71/78/217017178.db2.gz KLFIKNKNFYFTAW-INIZCTEOSA-N 1 2 324.352 2.504 20 5 DFBDLO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@]2(CCOC2)O1 ZINC000282466835 217017182 /nfs/dbraw/zinc/01/71/82/217017182.db2.gz KLFIKNKNFYFTAW-INIZCTEOSA-N 1 2 324.352 2.504 20 5 DFBDLO CC(C)(C[NH+]=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)[C@@H]1CCCCO1 ZINC000618585064 399170775 /nfs/dbraw/zinc/17/07/75/399170775.db2.gz PFOPQSRIKOTPFV-AWEZNQCLSA-N 1 2 318.377 2.900 20 5 DFBDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H](C)O2 ZINC000282540238 217073549 /nfs/dbraw/zinc/07/35/49/217073549.db2.gz RKMWTOOGIYGZCC-XHBSWPGZSA-N 1 2 324.352 2.502 20 5 DFBDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H](C)O2 ZINC000282540238 217073553 /nfs/dbraw/zinc/07/35/53/217073553.db2.gz RKMWTOOGIYGZCC-XHBSWPGZSA-N 1 2 324.352 2.502 20 5 DFBDLO Cc1cnc(N2CC[C@H](CNc3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000266176210 205161385 /nfs/dbraw/zinc/16/13/85/205161385.db2.gz AUHKFZPMAYIAIZ-CYBMUJFWSA-N 1 2 313.361 2.632 20 5 DFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccoc1 ZINC000342636232 284382996 /nfs/dbraw/zinc/38/29/96/284382996.db2.gz LWOTVMINNUGCFO-LLVKDONJSA-N 1 2 303.318 2.647 20 5 DFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccoc1 ZINC000342636232 284382999 /nfs/dbraw/zinc/38/29/99/284382999.db2.gz LWOTVMINNUGCFO-LLVKDONJSA-N 1 2 303.318 2.647 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000342675096 284386819 /nfs/dbraw/zinc/38/68/19/284386819.db2.gz JSQMPLBISLDUDS-GFCCVEGCSA-N 1 2 303.293 2.787 20 5 DFBDLO Cc1cc(CNC(=O)NCc2ccccc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000420808078 296204149 /nfs/dbraw/zinc/20/41/49/296204149.db2.gz UERLHBOLPDZQHG-UHFFFAOYSA-N 1 2 314.345 2.606 20 5 DFBDLO O=[N+]([O-])c1cc(F)cnc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000601101781 399226814 /nfs/dbraw/zinc/22/68/14/399226814.db2.gz TXSLZZVBXWUIKH-UHFFFAOYSA-N 1 2 303.297 2.868 20 5 DFBDLO Cc1cc(NCc2cnn(C)c2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000064931126 399235087 /nfs/dbraw/zinc/23/50/87/399235087.db2.gz OBDZWLNLMLJYBD-UHFFFAOYSA-N 1 2 324.344 2.706 20 5 DFBDLO CC(C)(CNc1nc2c(cc1[N+](=O)[O-])CCCC2)n1cc[nH+]c1 ZINC000601198124 399253411 /nfs/dbraw/zinc/25/34/11/399253411.db2.gz NVUHRBCTNVYBBZ-UHFFFAOYSA-N 1 2 315.377 2.912 20 5 DFBDLO CC[C@]1(O)CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000601232936 399260360 /nfs/dbraw/zinc/26/03/60/399260360.db2.gz HYQHPGCGSFWXGE-INIZCTEOSA-N 1 2 301.346 2.884 20 5 DFBDLO Cc1c(Cl)c(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])nn1C ZINC000421359699 296248073 /nfs/dbraw/zinc/24/80/73/296248073.db2.gz XPRLZLNHUZCJAO-UHFFFAOYSA-N 1 2 322.796 2.965 20 5 DFBDLO Cc1c(Cl)c(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])nn1C ZINC000421359699 296248075 /nfs/dbraw/zinc/24/80/75/296248075.db2.gz XPRLZLNHUZCJAO-UHFFFAOYSA-N 1 2 322.796 2.965 20 5 DFBDLO C[C@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])C1CC1 ZINC000619153444 399303037 /nfs/dbraw/zinc/30/30/37/399303037.db2.gz RAOOYMNQJQBZCH-CYBMUJFWSA-N 1 2 319.405 2.885 20 5 DFBDLO Cc1cc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc([N+](=O)[O-])c1 ZINC000609131460 399304567 /nfs/dbraw/zinc/30/45/67/399304567.db2.gz QGAHULDGYFZRNJ-AWEZNQCLSA-N 1 2 314.345 2.577 20 5 DFBDLO O=[N+]([O-])c1ccc(NCCn2cc[nH+]c2)c(Br)c1 ZINC000043596719 183375587 /nfs/dbraw/zinc/37/55/87/183375587.db2.gz SCGBFAHEYWMLJO-UHFFFAOYSA-N 1 2 311.139 2.666 20 5 DFBDLO CNc1c(C(=O)NCc2cc(C)[nH+]c(C)c2)cccc1[N+](=O)[O-] ZINC000421920861 296281628 /nfs/dbraw/zinc/28/16/28/296281628.db2.gz OPOBTJGJPJLAHK-UHFFFAOYSA-N 1 2 314.345 2.578 20 5 DFBDLO CC(C)(NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(F)F ZINC000619421835 399343225 /nfs/dbraw/zinc/34/32/25/399343225.db2.gz IHNCRMPWOHBYKD-UHFFFAOYSA-N 1 2 324.287 2.554 20 5 DFBDLO O=[N+]([O-])c1cccc(-c2nc(CNCc3[nH]cc[nH+]3)cs2)c1 ZINC000610150860 399344365 /nfs/dbraw/zinc/34/43/65/399344365.db2.gz AKVSTENCBQGLQP-UHFFFAOYSA-N 1 2 315.358 2.731 20 5 DFBDLO COc1cc2c(nn1)CC[N@@H+]([C@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000610368746 399361453 /nfs/dbraw/zinc/36/14/53/399361453.db2.gz IMUGGFOHLHGMGN-LLVKDONJSA-N 1 2 314.345 2.513 20 5 DFBDLO COc1cc2c(nn1)CC[N@H+]([C@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000610368746 399361455 /nfs/dbraw/zinc/36/14/55/399361455.db2.gz IMUGGFOHLHGMGN-LLVKDONJSA-N 1 2 314.345 2.513 20 5 DFBDLO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1nncn1C ZINC000285262650 218357386 /nfs/dbraw/zinc/35/73/86/218357386.db2.gz DBRKDOYHLXAYLT-CYBMUJFWSA-N 1 2 323.784 2.864 20 5 DFBDLO CO[C@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC[C@@H]1C ZINC000285352741 218393286 /nfs/dbraw/zinc/39/32/86/218393286.db2.gz QCZRWTHTIMKFFJ-XPTSAGLGSA-N 1 2 300.305 2.730 20 5 DFBDLO CO[C@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC[C@@H]1C ZINC000285352741 218393288 /nfs/dbraw/zinc/39/32/88/218393288.db2.gz QCZRWTHTIMKFFJ-XPTSAGLGSA-N 1 2 300.305 2.730 20 5 DFBDLO CC(C)[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1nncn1C ZINC000285406096 218419255 /nfs/dbraw/zinc/41/92/55/218419255.db2.gz PETSGEGGBKOZBR-ZDUSSCGKSA-N 1 2 323.784 2.864 20 5 DFBDLO CC(C)C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC000602072789 399391517 /nfs/dbraw/zinc/39/15/17/399391517.db2.gz IFLLIQQVUXAEGC-OAHLLOKOSA-N 1 2 316.361 2.695 20 5 DFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000610682540 399392719 /nfs/dbraw/zinc/39/27/19/399392719.db2.gz PUBYRFZWTRTRPX-WQVCFCJDSA-N 1 2 306.362 2.536 20 5 DFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000610682540 399392723 /nfs/dbraw/zinc/39/27/23/399392723.db2.gz PUBYRFZWTRTRPX-WQVCFCJDSA-N 1 2 306.362 2.536 20 5 DFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000610682539 399392942 /nfs/dbraw/zinc/39/29/42/399392942.db2.gz PUBYRFZWTRTRPX-UHOFOFEASA-N 1 2 306.362 2.536 20 5 DFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000610682539 399392946 /nfs/dbraw/zinc/39/29/46/399392946.db2.gz PUBYRFZWTRTRPX-UHOFOFEASA-N 1 2 306.362 2.536 20 5 DFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCCCCC1 ZINC000615990680 399408882 /nfs/dbraw/zinc/40/88/82/399408882.db2.gz NCXOEDPJYASRGC-UHFFFAOYSA-N 1 2 319.405 2.807 20 5 DFBDLO CC[C@]1(C)COCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611178785 399442200 /nfs/dbraw/zinc/44/22/00/399442200.db2.gz NDRGYGOUJDCTMQ-OAHLLOKOSA-N 1 2 305.334 2.737 20 5 DFBDLO CC[C@]1(C)COCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611178785 399442202 /nfs/dbraw/zinc/44/22/02/399442202.db2.gz NDRGYGOUJDCTMQ-OAHLLOKOSA-N 1 2 305.334 2.737 20 5 DFBDLO C[N@H+](Cc1cn[nH]c1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000611271972 399455674 /nfs/dbraw/zinc/45/56/74/399455674.db2.gz YZZJOARXKDXAQW-UHFFFAOYSA-N 1 2 312.276 2.551 20 5 DFBDLO C[N@@H+](Cc1cn[nH]c1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000611271972 399455675 /nfs/dbraw/zinc/45/56/75/399455675.db2.gz YZZJOARXKDXAQW-UHFFFAOYSA-N 1 2 312.276 2.551 20 5 DFBDLO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611285920 399457897 /nfs/dbraw/zinc/45/78/97/399457897.db2.gz PVMBLECTLIBDCV-MRXNPFEDSA-N 1 2 316.361 2.679 20 5 DFBDLO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611285920 399457900 /nfs/dbraw/zinc/45/79/00/399457900.db2.gz PVMBLECTLIBDCV-MRXNPFEDSA-N 1 2 316.361 2.679 20 5 DFBDLO COc1cc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)ccc1[N+](=O)[O-] ZINC000611515320 399485892 /nfs/dbraw/zinc/48/58/92/399485892.db2.gz HIBGDQFQHPJKCE-ZDUSSCGKSA-N 1 2 316.361 2.706 20 5 DFBDLO COc1cc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)ccc1[N+](=O)[O-] ZINC000611515320 399485895 /nfs/dbraw/zinc/48/58/95/399485895.db2.gz HIBGDQFQHPJKCE-ZDUSSCGKSA-N 1 2 316.361 2.706 20 5 DFBDLO C/C=C/C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)OCC ZINC000602636677 399498347 /nfs/dbraw/zinc/49/83/47/399498347.db2.gz YKACAEPQUHNOBZ-UJAVWCLSSA-N 1 2 306.362 2.625 20 5 DFBDLO Cn1cc(C[N@@H+]2CC(C)(C)[C@@H]2c2cccs2)c([N+](=O)[O-])n1 ZINC000602663005 399508686 /nfs/dbraw/zinc/50/86/86/399508686.db2.gz RDPGMROLBXVMFR-LBPRGKRZSA-N 1 2 306.391 2.973 20 5 DFBDLO Cn1cc(C[N@H+]2CC(C)(C)[C@@H]2c2cccs2)c([N+](=O)[O-])n1 ZINC000602663005 399508689 /nfs/dbraw/zinc/50/86/89/399508689.db2.gz RDPGMROLBXVMFR-LBPRGKRZSA-N 1 2 306.391 2.973 20 5 DFBDLO Cn1cc(C[N@@H+]2CCc3cccc(Cl)c3C2)c([N+](=O)[O-])n1 ZINC000602689814 399522007 /nfs/dbraw/zinc/52/20/07/399522007.db2.gz DIFWPHQQMXLDMR-UHFFFAOYSA-N 1 2 306.753 2.540 20 5 DFBDLO Cn1cc(C[N@H+]2CCc3cccc(Cl)c3C2)c([N+](=O)[O-])n1 ZINC000602689814 399522009 /nfs/dbraw/zinc/52/20/09/399522009.db2.gz DIFWPHQQMXLDMR-UHFFFAOYSA-N 1 2 306.753 2.540 20 5 DFBDLO COC(=O)c1ccoc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000271658716 209102938 /nfs/dbraw/zinc/10/29/38/209102938.db2.gz KPOXFOLPHOEEMA-JTQLQIEISA-N 1 2 304.302 2.825 20 5 DFBDLO Cc1nc2ccccn2c1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347787102 285174233 /nfs/dbraw/zinc/17/42/33/285174233.db2.gz GYFKZVPALFOVFI-UHFFFAOYSA-N 1 2 323.356 2.504 20 5 DFBDLO Cc1nc2ccccn2c1C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347787102 285174234 /nfs/dbraw/zinc/17/42/34/285174234.db2.gz GYFKZVPALFOVFI-UHFFFAOYSA-N 1 2 323.356 2.504 20 5 DFBDLO Cc1cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)ccc1[N+](=O)[O-] ZINC000120359254 195151309 /nfs/dbraw/zinc/15/13/09/195151309.db2.gz VVDUMNRAHBEULS-UHFFFAOYSA-N 1 2 314.345 2.577 20 5 DFBDLO Cn1cc[nH+]c1[C@@H]1N(Cc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000294789295 224222007 /nfs/dbraw/zinc/22/20/07/224222007.db2.gz LVYMLGDVAFIFAJ-AWEZNQCLSA-N 1 2 300.362 2.911 20 5 DFBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]2c2ncccn2)cc1 ZINC000602900455 399619946 /nfs/dbraw/zinc/61/99/46/399619946.db2.gz UYUYOFPYIHWCBH-HNNXBMFYSA-N 1 2 314.345 2.601 20 5 DFBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H]2c2ncccn2)cc1 ZINC000602900455 399619951 /nfs/dbraw/zinc/61/99/51/399619951.db2.gz UYUYOFPYIHWCBH-HNNXBMFYSA-N 1 2 314.345 2.601 20 5 DFBDLO Cc1cccc(C(=O)Nc2cc(N(C)C)cc[nH+]2)c1[N+](=O)[O-] ZINC000612346265 399629368 /nfs/dbraw/zinc/62/93/68/399629368.db2.gz PXEHVKUWRTUSIT-UHFFFAOYSA-N 1 2 300.318 2.617 20 5 DFBDLO CCc1ccc(C(=O)Nc2cc(N(C)C)cc[nH+]2)cc1[N+](=O)[O-] ZINC000612347083 399629380 /nfs/dbraw/zinc/62/93/80/399629380.db2.gz SMXPDPJACOLZNF-UHFFFAOYSA-N 1 2 314.345 2.871 20 5 DFBDLO CN(C)c1cc[nH+]c(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1 ZINC000612347449 399629612 /nfs/dbraw/zinc/62/96/12/399629612.db2.gz XTCOFVSITMHUDF-UHFFFAOYSA-N 1 2 320.736 2.962 20 5 DFBDLO CN(C)c1cc[nH+]c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000612346121 399629826 /nfs/dbraw/zinc/62/98/26/399629826.db2.gz HPPLSPQKCOPQEP-UHFFFAOYSA-N 1 2 320.736 2.962 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1nnc(CC)s1 ZINC000289701692 221164706 /nfs/dbraw/zinc/16/47/06/221164706.db2.gz DVGGIKMMWYHTHO-UHFFFAOYSA-N 1 2 322.390 2.697 20 5 DFBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)(F)CC1 ZINC000602992647 399652549 /nfs/dbraw/zinc/65/25/49/399652549.db2.gz BKCXWKMHXWKMRB-LLVKDONJSA-N 1 2 309.341 2.746 20 5 DFBDLO Cn1nc(C[NH2+]Cc2csc([N+](=O)[O-])c2)c2ccccc21 ZINC000612692011 399706371 /nfs/dbraw/zinc/70/63/71/399706371.db2.gz BEHINHGTLAZWNV-UHFFFAOYSA-N 1 2 302.359 2.833 20 5 DFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000292865678 533314167 /nfs/dbraw/zinc/31/41/67/533314167.db2.gz AQTQEYVFGFQOBL-UTLUCORTSA-N 1 2 311.769 2.915 20 5 DFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@@H](C)[C@@H]1C ZINC000292865678 533314170 /nfs/dbraw/zinc/31/41/70/533314170.db2.gz AQTQEYVFGFQOBL-UTLUCORTSA-N 1 2 311.769 2.915 20 5 DFBDLO COC[C@@H]1CCN1c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000293105848 533371215 /nfs/dbraw/zinc/37/12/15/533371215.db2.gz PGRONXKLMMKVKQ-AWEZNQCLSA-N 1 2 314.345 2.585 20 5 DFBDLO CSc1ccc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)o1 ZINC000603429209 399773903 /nfs/dbraw/zinc/77/39/03/399773903.db2.gz VQFRFHLKPBJGIE-HNNXBMFYSA-N 1 2 322.386 2.907 20 5 DFBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCc2c([nH+]cn2C)C1 ZINC000365636049 291993910 /nfs/dbraw/zinc/99/39/10/291993910.db2.gz IKLCNXORZKPDJH-UHFFFAOYSA-N 1 2 306.753 2.853 20 5 DFBDLO COC(=O)c1ccc(OCc2ccc(C)[nH+]c2C)c([N+](=O)[O-])c1 ZINC000186452496 542814980 /nfs/dbraw/zinc/81/49/80/542814980.db2.gz JFAHMWVZHUQBIP-UHFFFAOYSA-N 1 2 316.313 2.972 20 5 DFBDLO CNc1c(C(=O)Nc2ccc3[nH+]ccn3c2)cccc1[N+](=O)[O-] ZINC000613233384 399827061 /nfs/dbraw/zinc/82/70/61/399827061.db2.gz KVZJTBQANBEPDX-UHFFFAOYSA-N 1 2 311.301 2.537 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCN(CC(F)F)CC2)cc1F ZINC000276309934 542977895 /nfs/dbraw/zinc/97/78/95/542977895.db2.gz LYQMZFMAHVASQW-UHFFFAOYSA-N 1 2 317.311 2.507 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCN(CC(F)F)CC2)cc1F ZINC000276309934 542977898 /nfs/dbraw/zinc/97/78/98/542977898.db2.gz LYQMZFMAHVASQW-UHFFFAOYSA-N 1 2 317.311 2.507 20 5 DFBDLO O=[N+]([O-])c1ccc(CN2CCC[C@H]2c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000367459788 296503896 /nfs/dbraw/zinc/50/38/96/296503896.db2.gz WEKGCIYGHMPGCZ-LBPRGKRZSA-N 1 2 317.305 2.563 20 5 DFBDLO CC[C@H](NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000491982538 543408741 /nfs/dbraw/zinc/40/87/41/543408741.db2.gz JQNQPLXQMUOGPV-RNZFLTOJSA-N 1 2 318.308 2.738 20 5 DFBDLO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)s1 ZINC000355334323 147268974 /nfs/dbraw/zinc/26/89/74/147268974.db2.gz MADWFXKYRMEOTP-SNVBAGLBSA-N 1 2 323.422 2.849 20 5 DFBDLO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)s1 ZINC000355334323 147268976 /nfs/dbraw/zinc/26/89/76/147268976.db2.gz MADWFXKYRMEOTP-SNVBAGLBSA-N 1 2 323.422 2.849 20 5 DFBDLO Cn1c[nH+]cc1Cc1noc(-c2cc(Cl)cc([N+](=O)[O-])c2)n1 ZINC000357956611 148189701 /nfs/dbraw/zinc/18/97/01/148189701.db2.gz ZORXWWQSHOUQJO-UHFFFAOYSA-N 1 2 319.708 2.623 20 5 DFBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@]2(CCCOC2)O1 ZINC000361107854 149030024 /nfs/dbraw/zinc/03/00/24/149030024.db2.gz AYRHPXYLJKHNBF-LRDDRELGSA-N 1 2 324.352 2.504 20 5 DFBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@]2(CCCOC2)O1 ZINC000361107854 149030026 /nfs/dbraw/zinc/03/00/26/149030026.db2.gz AYRHPXYLJKHNBF-LRDDRELGSA-N 1 2 324.352 2.504 20 5 DFBDLO Cc1cc[nH+]c(C)c1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000362396493 149296569 /nfs/dbraw/zinc/29/65/69/149296569.db2.gz NUNKIYLQNDLJHF-UHFFFAOYSA-N 1 2 301.302 2.624 20 5 DFBDLO CCOc1cccc(NCC[N@@H+]2CCO[C@H](CC)C2)c1[N+](=O)[O-] ZINC000362680230 149340520 /nfs/dbraw/zinc/34/05/20/149340520.db2.gz HQHQYAGDUVAAPM-CYBMUJFWSA-N 1 2 323.393 2.516 20 5 DFBDLO CCOc1cccc(NCC[N@H+]2CCO[C@H](CC)C2)c1[N+](=O)[O-] ZINC000362680230 149340523 /nfs/dbraw/zinc/34/05/23/149340523.db2.gz HQHQYAGDUVAAPM-CYBMUJFWSA-N 1 2 323.393 2.516 20 5 DFBDLO CC(C)[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000351148130 286112453 /nfs/dbraw/zinc/11/24/53/286112453.db2.gz RVZWUWFQGNJING-AWEZNQCLSA-N 1 2 305.334 2.593 20 5 DFBDLO CC(C)[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000351148130 286112455 /nfs/dbraw/zinc/11/24/55/286112455.db2.gz RVZWUWFQGNJING-AWEZNQCLSA-N 1 2 305.334 2.593 20 5 DFBDLO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000371443590 150047718 /nfs/dbraw/zinc/04/77/18/150047718.db2.gz RMTWQXNRVMZGFD-PSKZRQQASA-N 1 2 312.329 2.695 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cnn(CC(F)F)c1)CC2 ZINC000351569748 286156531 /nfs/dbraw/zinc/15/65/31/286156531.db2.gz VDZJOMDYCMMCRD-UHFFFAOYSA-N 1 2 322.315 2.615 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cnn(CC(F)F)c1)CC2 ZINC000351569748 286156535 /nfs/dbraw/zinc/15/65/35/286156535.db2.gz VDZJOMDYCMMCRD-UHFFFAOYSA-N 1 2 322.315 2.615 20 5 DFBDLO Cc1c(C[N@@H+]2CCO[C@@H](COC(C)C)C2)cccc1[N+](=O)[O-] ZINC000372159558 150142956 /nfs/dbraw/zinc/14/29/56/150142956.db2.gz CCNUDVGMRJHXAV-OAHLLOKOSA-N 1 2 308.378 2.529 20 5 DFBDLO Cc1c(C[N@H+]2CCO[C@@H](COC(C)C)C2)cccc1[N+](=O)[O-] ZINC000372159558 150142959 /nfs/dbraw/zinc/14/29/59/150142959.db2.gz CCNUDVGMRJHXAV-OAHLLOKOSA-N 1 2 308.378 2.529 20 5 DFBDLO Cc1[nH+]c2ccccn2c1COc1ccc([N+](=O)[O-])c(CO)c1 ZINC000428084837 296679239 /nfs/dbraw/zinc/67/92/39/296679239.db2.gz JJJJAQPTELNBPJ-UHFFFAOYSA-N 1 2 313.313 2.622 20 5 DFBDLO CCOC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC(C)C ZINC000352416534 286367800 /nfs/dbraw/zinc/36/78/00/286367800.db2.gz HSWCARQEAWXCNA-UHFFFAOYSA-N 1 2 324.377 2.625 20 5 DFBDLO CCOC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC(C)C ZINC000352416534 286367801 /nfs/dbraw/zinc/36/78/01/286367801.db2.gz HSWCARQEAWXCNA-UHFFFAOYSA-N 1 2 324.377 2.625 20 5 DFBDLO COC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CCCC1 ZINC000352526882 286398612 /nfs/dbraw/zinc/39/86/12/286398612.db2.gz SVMCJELQVGHNJC-UHFFFAOYSA-N 1 2 322.361 2.521 20 5 DFBDLO COC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CCCC1 ZINC000352526882 286398615 /nfs/dbraw/zinc/39/86/15/286398615.db2.gz SVMCJELQVGHNJC-UHFFFAOYSA-N 1 2 322.361 2.521 20 5 DFBDLO Cn1nncc1C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000352579999 286412115 /nfs/dbraw/zinc/41/21/15/286412115.db2.gz ICAACVAESKXNOD-QGZVFWFLSA-N 1 2 323.356 2.603 20 5 DFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247057644 158117116 /nfs/dbraw/zinc/11/71/16/158117116.db2.gz IMUATLWGEQKBKU-WQVCFCJDSA-N 1 2 306.362 2.536 20 5 DFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247057644 158117121 /nfs/dbraw/zinc/11/71/21/158117121.db2.gz IMUATLWGEQKBKU-WQVCFCJDSA-N 1 2 306.362 2.536 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000350971541 158227485 /nfs/dbraw/zinc/22/74/85/158227485.db2.gz MYXWVVGHOZVNGE-LBPRGKRZSA-N 1 2 304.325 2.768 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000350971541 158227486 /nfs/dbraw/zinc/22/74/86/158227486.db2.gz MYXWVVGHOZVNGE-LBPRGKRZSA-N 1 2 304.325 2.768 20 5 DFBDLO C[C@@H]1CCC[C@@H](CO)[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285479071 287398775 /nfs/dbraw/zinc/39/87/75/287398775.db2.gz CMOWTDTZZAGFSZ-ZJUUUORDSA-N 1 2 300.305 2.608 20 5 DFBDLO C[C@@H]1CCC[C@@H](CO)[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285479071 287398776 /nfs/dbraw/zinc/39/87/76/287398776.db2.gz CMOWTDTZZAGFSZ-ZJUUUORDSA-N 1 2 300.305 2.608 20 5 DFBDLO COCc1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])no1 ZINC000297349212 227045728 /nfs/dbraw/zinc/04/57/28/227045728.db2.gz FUGZTWPDHZHUNW-UHFFFAOYSA-N 1 2 305.334 2.754 20 5 DFBDLO Cc1cc(NC[C@H]2CCCO2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301106735 229505572 /nfs/dbraw/zinc/50/55/72/229505572.db2.gz RGMFAOLYLYSAKD-CQSZACIVSA-N 1 2 314.345 2.951 20 5 DFBDLO CO[C@H](C)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302681030 230348818 /nfs/dbraw/zinc/34/88/18/230348818.db2.gz RWGMHPRIXMTJBG-LLVKDONJSA-N 1 2 302.334 2.807 20 5 DFBDLO Cc1cc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc[nH+]1 ZINC000067571388 425911268 /nfs/dbraw/zinc/91/12/68/425911268.db2.gz QPMFJMXYPFNAIX-UHFFFAOYSA-N 1 2 323.312 2.736 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000068571637 425919183 /nfs/dbraw/zinc/91/91/83/425919183.db2.gz VLCCAUSUGUZKAF-UHFFFAOYSA-N 1 2 324.340 2.789 20 5 DFBDLO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccco1 ZINC000008198979 425662149 /nfs/dbraw/zinc/66/21/49/425662149.db2.gz ZQPFGNILMBKRQL-UHFFFAOYSA-N 1 2 323.736 2.912 20 5 DFBDLO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccco1 ZINC000008198979 425662153 /nfs/dbraw/zinc/66/21/53/425662153.db2.gz ZQPFGNILMBKRQL-UHFFFAOYSA-N 1 2 323.736 2.912 20 5 DFBDLO Cc1c[nH+]ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191902721 268017814 /nfs/dbraw/zinc/01/78/14/268017814.db2.gz AVEIHWDOFCEQDE-UHFFFAOYSA-N 1 2 321.358 2.716 20 5 DFBDLO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000319853346 268346913 /nfs/dbraw/zinc/34/69/13/268346913.db2.gz UBKNKAJHKVVCLY-GFCCVEGCSA-N 1 2 315.377 2.764 20 5 DFBDLO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)OC(C)(C)C ZINC000126915697 426042086 /nfs/dbraw/zinc/04/20/86/426042086.db2.gz BIRQVVRHRMCWAS-VQHVLOKHSA-N 1 2 306.362 2.882 20 5 DFBDLO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)OC(C)(C)C ZINC000126915697 426042089 /nfs/dbraw/zinc/04/20/89/426042089.db2.gz BIRQVVRHRMCWAS-VQHVLOKHSA-N 1 2 306.362 2.882 20 5 DFBDLO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCn3ncnc32)cc1[N+](=O)[O-] ZINC000164700751 426116977 /nfs/dbraw/zinc/11/69/77/426116977.db2.gz POJRBHIFUYKWIN-DGCLKSJQSA-N 1 2 301.350 2.680 20 5 DFBDLO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCn3ncnc32)cc1[N+](=O)[O-] ZINC000164700872 426117082 /nfs/dbraw/zinc/11/70/82/426117082.db2.gz POJRBHIFUYKWIN-WCQYABFASA-N 1 2 301.350 2.680 20 5 DFBDLO O=C(C[N@@H+]1CCC[C@H]1c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000116294814 426186815 /nfs/dbraw/zinc/18/68/15/426186815.db2.gz PNRZBRPRVQZGCF-AWEZNQCLSA-N 1 2 315.329 2.963 20 5 DFBDLO O=C(C[N@H+]1CCC[C@H]1c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000116294814 426186817 /nfs/dbraw/zinc/18/68/17/426186817.db2.gz PNRZBRPRVQZGCF-AWEZNQCLSA-N 1 2 315.329 2.963 20 5 DFBDLO CCc1ccc(C(=O)Nc2ccc[nH+]c2N(C)C)cc1[N+](=O)[O-] ZINC000081846224 426227767 /nfs/dbraw/zinc/22/77/67/426227767.db2.gz BLCYZTSXXIMXKC-UHFFFAOYSA-N 1 2 314.345 2.871 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000118414468 426235220 /nfs/dbraw/zinc/23/52/20/426235220.db2.gz YVAYSKYRGLQCRF-RYUDHWBXSA-N 1 2 323.418 2.668 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000118414468 426235221 /nfs/dbraw/zinc/23/52/21/426235221.db2.gz YVAYSKYRGLQCRF-RYUDHWBXSA-N 1 2 323.418 2.668 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000118415494 426235235 /nfs/dbraw/zinc/23/52/35/426235235.db2.gz CVPLDXSNLJFKFR-NWDGAFQWSA-N 1 2 323.418 2.668 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCS[C@H](C)[C@@H]1C ZINC000118415494 426235236 /nfs/dbraw/zinc/23/52/36/426235236.db2.gz CVPLDXSNLJFKFR-NWDGAFQWSA-N 1 2 323.418 2.668 20 5 DFBDLO C[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)O1 ZINC000089882783 426315434 /nfs/dbraw/zinc/31/54/34/426315434.db2.gz UHRMHVHOTMCSHS-TXEJJXNPSA-N 1 2 317.345 2.859 20 5 DFBDLO C[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)O1 ZINC000089882783 426315437 /nfs/dbraw/zinc/31/54/37/426315437.db2.gz UHRMHVHOTMCSHS-TXEJJXNPSA-N 1 2 317.345 2.859 20 5 DFBDLO CC[C@@H]1COCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089901964 426317639 /nfs/dbraw/zinc/31/76/39/426317639.db2.gz MFRJHIOXGFIYDB-CQSZACIVSA-N 1 2 317.345 2.861 20 5 DFBDLO CC[C@@H]1COCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089901964 426317641 /nfs/dbraw/zinc/31/76/41/426317641.db2.gz MFRJHIOXGFIYDB-CQSZACIVSA-N 1 2 317.345 2.861 20 5 DFBDLO O=C(C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NC1CCCC1 ZINC000153249349 426376881 /nfs/dbraw/zinc/37/68/81/426376881.db2.gz GCWBXFHAUZNMAM-UHFFFAOYSA-N 1 2 317.389 2.618 20 5 DFBDLO O=C(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NC1CCCC1 ZINC000153249349 426376884 /nfs/dbraw/zinc/37/68/84/426376884.db2.gz GCWBXFHAUZNMAM-UHFFFAOYSA-N 1 2 317.389 2.618 20 5 DFBDLO C[C@H]([NH2+][C@H](C(N)=O)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000340899028 269028340 /nfs/dbraw/zinc/02/83/40/269028340.db2.gz LAKPTYFQKRZMTO-BONVTDFDSA-N 1 2 317.320 2.611 20 5 DFBDLO O=[N+]([O-])c1ccc(N2CCn3cc[nH+]c3C2)nc1-c1ccccc1 ZINC000341283350 269059765 /nfs/dbraw/zinc/05/97/65/269059765.db2.gz LYOZDVOXDFLIFS-UHFFFAOYSA-N 1 2 321.340 2.874 20 5 DFBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1 ZINC000195198866 426507410 /nfs/dbraw/zinc/50/74/10/426507410.db2.gz UGIBXDJWWAGZAF-CYBMUJFWSA-N 1 2 316.361 2.576 20 5 DFBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1 ZINC000195198866 426507417 /nfs/dbraw/zinc/50/74/17/426507417.db2.gz UGIBXDJWWAGZAF-CYBMUJFWSA-N 1 2 316.361 2.576 20 5 DFBDLO CCn1nc(C)c([N+](=O)[O-])c1NCCc1[nH]c2ccccc2[nH+]1 ZINC000195338009 426518198 /nfs/dbraw/zinc/51/81/98/426518198.db2.gz UUHSIMIOQGVGMV-UHFFFAOYSA-N 1 2 314.349 2.651 20 5 DFBDLO CCn1c(C)nc([N+](=O)[O-])c1NCCCc1cccc(C)[nH+]1 ZINC000288534330 426526899 /nfs/dbraw/zinc/52/68/99/426526899.db2.gz XBQLXDFQQIRSOL-UHFFFAOYSA-N 1 2 303.366 2.868 20 5 DFBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)c1 ZINC000289129749 426590183 /nfs/dbraw/zinc/59/01/83/426590183.db2.gz XQHQNZIMLJCCQX-UHFFFAOYSA-N 1 2 312.325 2.968 20 5 DFBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCC3(C2)Oc2ccccc2O3)c1 ZINC000289129749 426590188 /nfs/dbraw/zinc/59/01/88/426590188.db2.gz XQHQNZIMLJCCQX-UHFFFAOYSA-N 1 2 312.325 2.968 20 5 DFBDLO O=[N+]([O-])c1cnc(N2CCC(n3cc[nH+]c3)CC2)c(Cl)c1 ZINC000265534164 426651914 /nfs/dbraw/zinc/65/19/14/426651914.db2.gz NWSQBCCKQZBPHS-UHFFFAOYSA-N 1 2 307.741 2.681 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1CNCc1cn2c([nH+]1)CCCC2 ZINC000273409848 426659528 /nfs/dbraw/zinc/65/95/28/426659528.db2.gz OEKXWNKMPADVHX-UHFFFAOYSA-N 1 2 300.362 2.726 20 5 DFBDLO CC(C)[N@H+](CC(N)=O)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289907715 426677807 /nfs/dbraw/zinc/67/78/07/426677807.db2.gz NOOWPSKPUDAKDJ-UHFFFAOYSA-N 1 2 320.176 2.597 20 5 DFBDLO CC(C)[N@@H+](CC(N)=O)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289907715 426677809 /nfs/dbraw/zinc/67/78/09/426677809.db2.gz NOOWPSKPUDAKDJ-UHFFFAOYSA-N 1 2 320.176 2.597 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000281331415 426715410 /nfs/dbraw/zinc/71/54/10/426715410.db2.gz YSIAKWDTRJDLAI-ZBFHGGJFSA-N 1 2 306.362 2.747 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000281331415 426715417 /nfs/dbraw/zinc/71/54/17/426715417.db2.gz YSIAKWDTRJDLAI-ZBFHGGJFSA-N 1 2 306.362 2.747 20 5 DFBDLO CC[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CCS1 ZINC000245462923 426741331 /nfs/dbraw/zinc/74/13/31/426741331.db2.gz XCOQRDSTQUQPQX-RISCZKNCSA-N 1 2 323.418 2.749 20 5 DFBDLO CC[C@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CCS1 ZINC000245462923 426741336 /nfs/dbraw/zinc/74/13/36/426741336.db2.gz XCOQRDSTQUQPQX-RISCZKNCSA-N 1 2 323.418 2.749 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000245552323 426749715 /nfs/dbraw/zinc/74/97/15/426749715.db2.gz CVIJYJSUJSQHHN-DGCLKSJQSA-N 1 2 324.377 2.611 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000245552323 426749720 /nfs/dbraw/zinc/74/97/20/426749720.db2.gz CVIJYJSUJSQHHN-DGCLKSJQSA-N 1 2 324.377 2.611 20 5 DFBDLO Cc1noc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)n1 ZINC000267019314 426811711 /nfs/dbraw/zinc/81/17/11/426811711.db2.gz JWBWSROQJYKZAN-UHFFFAOYSA-N 1 2 320.324 2.805 20 5 DFBDLO C[N@H+](CCOCC(F)F)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000189585948 426895889 /nfs/dbraw/zinc/89/58/89/426895889.db2.gz VUYINCXMZDFBCK-UHFFFAOYSA-N 1 2 308.712 2.962 20 5 DFBDLO C[N@@H+](CCOCC(F)F)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000189585948 426895899 /nfs/dbraw/zinc/89/58/99/426895899.db2.gz VUYINCXMZDFBCK-UHFFFAOYSA-N 1 2 308.712 2.962 20 5 DFBDLO COC(=O)[C@H](C)[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCC1 ZINC000282388414 426899720 /nfs/dbraw/zinc/89/97/20/426899720.db2.gz DHVJQSQOIHHBGY-JTQLQIEISA-N 1 2 310.325 2.650 20 5 DFBDLO COC(=O)[C@H](C)[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCC1 ZINC000282388414 426899728 /nfs/dbraw/zinc/89/97/28/426899728.db2.gz DHVJQSQOIHHBGY-JTQLQIEISA-N 1 2 310.325 2.650 20 5 DFBDLO CCOC(=O)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H](C)CC ZINC000181647516 426971079 /nfs/dbraw/zinc/97/10/79/426971079.db2.gz SVMOYCPULXZLHZ-SWLSCSKDSA-N 1 2 308.378 2.705 20 5 DFBDLO CCOCCOCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000190268392 427059835 /nfs/dbraw/zinc/05/98/35/427059835.db2.gz OVBWDVUCRRFXMU-UHFFFAOYSA-N 1 2 316.785 2.733 20 5 DFBDLO CCOCCOCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000190268392 427059844 /nfs/dbraw/zinc/05/98/44/427059844.db2.gz OVBWDVUCRRFXMU-UHFFFAOYSA-N 1 2 316.785 2.733 20 5 DFBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+](CCO)Cc2cccnc2)c1 ZINC000268625887 427071866 /nfs/dbraw/zinc/07/18/66/427071866.db2.gz BBIZPNMAWNTBQM-UHFFFAOYSA-N 1 2 321.764 2.638 20 5 DFBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+](CCO)Cc2cccnc2)c1 ZINC000268625887 427071872 /nfs/dbraw/zinc/07/18/72/427071872.db2.gz BBIZPNMAWNTBQM-UHFFFAOYSA-N 1 2 321.764 2.638 20 5 DFBDLO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nccs1 ZINC000283919459 427098081 /nfs/dbraw/zinc/09/80/81/427098081.db2.gz CENLGQJEVMXHQJ-UHFFFAOYSA-N 1 2 322.346 2.984 20 5 DFBDLO COC(=O)c1coc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000292136806 427102541 /nfs/dbraw/zinc/10/25/41/427102541.db2.gz LXRRRTUZSHFXKA-UHFFFAOYSA-N 1 2 318.329 2.999 20 5 DFBDLO CCc1ccc([C@H](CO)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000338274734 427228468 /nfs/dbraw/zinc/22/84/68/427228468.db2.gz MLZVYBPDGUUWKW-INIZCTEOSA-N 1 2 316.357 2.686 20 5 DFBDLO COc1ccnc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1OC ZINC000191046204 427240950 /nfs/dbraw/zinc/24/09/50/427240950.db2.gz MQHHYPZGQJQBDL-LLVKDONJSA-N 1 2 317.345 2.858 20 5 DFBDLO CC(C)(C)[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000330457040 427245278 /nfs/dbraw/zinc/24/52/78/427245278.db2.gz QDYXAANIJGSHBB-HIFRSBDPSA-N 1 2 308.378 2.529 20 5 DFBDLO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000330457040 427245282 /nfs/dbraw/zinc/24/52/82/427245282.db2.gz QDYXAANIJGSHBB-HIFRSBDPSA-N 1 2 308.378 2.529 20 5 DFBDLO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330456544 427245672 /nfs/dbraw/zinc/24/56/72/427245672.db2.gz PPOKEIXSQCDBRE-ZBFHGGJFSA-N 1 2 308.378 2.984 20 5 DFBDLO COc1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000255166376 427247842 /nfs/dbraw/zinc/24/78/42/427247842.db2.gz UQYVIJHCFGNWMX-CJNGLKHVSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1ccc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000255166376 427247845 /nfs/dbraw/zinc/24/78/45/427247845.db2.gz UQYVIJHCFGNWMX-CJNGLKHVSA-N 1 2 306.362 2.747 20 5 DFBDLO CC1=CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000270354344 427328988 /nfs/dbraw/zinc/32/89/88/427328988.db2.gz QLEZAUCLHXGNGF-UHFFFAOYSA-N 1 2 300.318 2.797 20 5 DFBDLO CC1=CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000270354344 427328994 /nfs/dbraw/zinc/32/89/94/427328994.db2.gz QLEZAUCLHXGNGF-UHFFFAOYSA-N 1 2 300.318 2.797 20 5 DFBDLO CCOc1cc(C[N@@H+]2C[C@H](C)OC[C@@H]2CC)ccc1[N+](=O)[O-] ZINC000331132979 427353079 /nfs/dbraw/zinc/35/30/79/427353079.db2.gz BRRFHVSHEZOHAD-JSGCOSHPSA-N 1 2 308.378 2.993 20 5 DFBDLO CCOc1cc(C[N@H+]2C[C@H](C)OC[C@@H]2CC)ccc1[N+](=O)[O-] ZINC000331132979 427353086 /nfs/dbraw/zinc/35/30/86/427353086.db2.gz BRRFHVSHEZOHAD-JSGCOSHPSA-N 1 2 308.378 2.993 20 5 DFBDLO COC[C@H]1CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293456019 427330992 /nfs/dbraw/zinc/33/09/92/427330992.db2.gz CWWUMYNPCKEXGH-LLVKDONJSA-N 1 2 304.268 2.834 20 5 DFBDLO COC[C@H]1CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293456019 427330997 /nfs/dbraw/zinc/33/09/97/427330997.db2.gz CWWUMYNPCKEXGH-LLVKDONJSA-N 1 2 304.268 2.834 20 5 DFBDLO COc1cc(C[NH2+][C@@H](C)c2ccccn2)c([N+](=O)[O-])cc1F ZINC000184403645 427454271 /nfs/dbraw/zinc/45/42/71/427454271.db2.gz BNGAMUCCNHJVAP-JTQLQIEISA-N 1 2 305.309 2.988 20 5 DFBDLO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccco1 ZINC000184523758 427480603 /nfs/dbraw/zinc/48/06/03/427480603.db2.gz DBXCOPOZCWUSBB-ZDUSSCGKSA-N 1 2 306.318 2.674 20 5 DFBDLO CC1(C)C[C@H]([NH2+]CC(F)(F)CO)c2cc([N+](=O)[O-])ccc21 ZINC000278987305 427523267 /nfs/dbraw/zinc/52/32/67/427523267.db2.gz DLPRJSLFUSCKMB-LBPRGKRZSA-N 1 2 300.305 2.534 20 5 DFBDLO CC[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCS1 ZINC000332192014 427540349 /nfs/dbraw/zinc/54/03/49/427540349.db2.gz BSCKTXCPHIMFEL-NSHDSACASA-N 1 2 306.391 2.799 20 5 DFBDLO CC[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCS1 ZINC000332192014 427540357 /nfs/dbraw/zinc/54/03/57/427540357.db2.gz BSCKTXCPHIMFEL-NSHDSACASA-N 1 2 306.391 2.799 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1N1CC[NH+](Cc2ccco2)CC1 ZINC000338904691 427550904 /nfs/dbraw/zinc/55/09/04/427550904.db2.gz OPTNOXDZJZGWHO-UHFFFAOYSA-N 1 2 301.346 2.818 20 5 DFBDLO Cc1cc([N+](=O)[O-])cnc1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000263954586 427618835 /nfs/dbraw/zinc/61/88/35/427618835.db2.gz FQQINXHZPFQKAY-UHFFFAOYSA-N 1 2 313.361 2.906 20 5 DFBDLO CC(=O)c1ccc(NCc2cn3c([nH+]2)CCCC3)c([N+](=O)[O-])c1 ZINC000263795980 427572579 /nfs/dbraw/zinc/57/25/79/427572579.db2.gz PBDIJKBBQNCXDZ-UHFFFAOYSA-N 1 2 314.345 2.942 20 5 DFBDLO CCn1nc(C)c([N+](=O)[O-])c1NCc1cn2cccc(C)c2[nH+]1 ZINC000192735177 427597619 /nfs/dbraw/zinc/59/76/19/427597619.db2.gz GHKNTDARSZVZLT-UHFFFAOYSA-N 1 2 314.349 2.688 20 5 DFBDLO COCC[N@H+](Cc1ccccn1)Cc1ccccc1[N+](=O)[O-] ZINC000287431018 427607869 /nfs/dbraw/zinc/60/78/69/427607869.db2.gz PMOWVCCJHTWVHK-UHFFFAOYSA-N 1 2 301.346 2.638 20 5 DFBDLO COCC[N@@H+](Cc1ccccn1)Cc1ccccc1[N+](=O)[O-] ZINC000287431018 427607879 /nfs/dbraw/zinc/60/78/79/427607879.db2.gz PMOWVCCJHTWVHK-UHFFFAOYSA-N 1 2 301.346 2.638 20 5 DFBDLO Nc1ccc([N+](=O)[O-])c(NCCCCNc2cccc[nH+]2)c1 ZINC000192788551 427611254 /nfs/dbraw/zinc/61/12/54/427611254.db2.gz WHILFTDZVTYFGJ-UHFFFAOYSA-N 1 2 301.350 2.876 20 5 DFBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000339066514 427660148 /nfs/dbraw/zinc/66/01/48/427660148.db2.gz SPSGRRITKVGEFX-SNVBAGLBSA-N 1 2 316.313 2.880 20 5 DFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@](C)(F)C1 ZINC000295046518 427670793 /nfs/dbraw/zinc/67/07/93/427670793.db2.gz AHEYJEMRPQEGKB-ABAIWWIYSA-N 1 2 309.341 2.746 20 5 DFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@](C)(F)C1 ZINC000295046518 427670799 /nfs/dbraw/zinc/67/07/99/427670799.db2.gz AHEYJEMRPQEGKB-ABAIWWIYSA-N 1 2 309.341 2.746 20 5 DFBDLO Cc1cc[nH+]cc1N1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000343045196 272078708 /nfs/dbraw/zinc/07/87/08/272078708.db2.gz LNOPSZZAVBRORJ-UHFFFAOYSA-N 1 2 316.336 2.764 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)c1 ZINC000344588614 272342686 /nfs/dbraw/zinc/34/26/86/272342686.db2.gz IUTZHFVPMLLHQH-AWEZNQCLSA-N 1 2 314.345 2.518 20 5 DFBDLO COCC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC000339131068 427689219 /nfs/dbraw/zinc/68/92/19/427689219.db2.gz FYULOLZMPDVTIC-JSGCOSHPSA-N 1 2 308.378 2.937 20 5 DFBDLO COCC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC000339131068 427689236 /nfs/dbraw/zinc/68/92/36/427689236.db2.gz FYULOLZMPDVTIC-JSGCOSHPSA-N 1 2 308.378 2.937 20 5 DFBDLO CC1(C)C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]2CCC[C@H]2O1 ZINC000339161591 427710846 /nfs/dbraw/zinc/71/08/46/427710846.db2.gz STYDLEVIYIYGMX-HUUCEWRRSA-N 1 2 306.362 2.832 20 5 DFBDLO CC1(C)C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]2CCC[C@H]2O1 ZINC000339161591 427710852 /nfs/dbraw/zinc/71/08/52/427710852.db2.gz STYDLEVIYIYGMX-HUUCEWRRSA-N 1 2 306.362 2.832 20 5 DFBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC(C)(C)O1 ZINC000193797968 427714597 /nfs/dbraw/zinc/71/45/97/427714597.db2.gz HQYMFHSYMWFMIA-JTQLQIEISA-N 1 2 309.322 2.502 20 5 DFBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC(C)(C)O1 ZINC000193797968 427714602 /nfs/dbraw/zinc/71/46/02/427714602.db2.gz HQYMFHSYMWFMIA-JTQLQIEISA-N 1 2 309.322 2.502 20 5 DFBDLO C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000301164582 427778842 /nfs/dbraw/zinc/77/88/42/427778842.db2.gz CGLBLZGBBXQSCB-MNOVXSKESA-N 1 2 313.785 2.769 20 5 DFBDLO Cc1cc([N+](=O)[O-])cnc1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000301178679 427779864 /nfs/dbraw/zinc/77/98/64/427779864.db2.gz HBAFINWBFMEEKK-UHFFFAOYSA-N 1 2 313.361 2.906 20 5 DFBDLO Cc1cc(NCC(C)(C)O)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301263111 427785101 /nfs/dbraw/zinc/78/51/01/427785101.db2.gz PBTWKSOIMHJJQW-UHFFFAOYSA-N 1 2 302.334 2.543 20 5 DFBDLO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC=C(C)CC2)c([N+](=O)[O-])c1 ZINC000339660408 427809361 /nfs/dbraw/zinc/80/93/61/427809361.db2.gz GCJAERSMLPPJAX-LBPRGKRZSA-N 1 2 319.361 2.582 20 5 DFBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC=C(C)CC2)c([N+](=O)[O-])c1 ZINC000339660408 427809363 /nfs/dbraw/zinc/80/93/63/427809363.db2.gz GCJAERSMLPPJAX-LBPRGKRZSA-N 1 2 319.361 2.582 20 5 DFBDLO COc1ccc(C[N@@H+]2CCOC[C@@H]2CC2CCC2)cc1[N+](=O)[O-] ZINC000339768740 427825386 /nfs/dbraw/zinc/82/53/86/427825386.db2.gz IRWGRROTXSFZKB-HNNXBMFYSA-N 1 2 320.389 2.994 20 5 DFBDLO COc1ccc(C[N@H+]2CCOC[C@@H]2CC2CCC2)cc1[N+](=O)[O-] ZINC000339768740 427825388 /nfs/dbraw/zinc/82/53/88/427825388.db2.gz IRWGRROTXSFZKB-HNNXBMFYSA-N 1 2 320.389 2.994 20 5 DFBDLO CN(C[C@@H]1CCC[C@H]1O)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413210569 427990647 /nfs/dbraw/zinc/99/06/47/427990647.db2.gz WGXFCGMKDSMKTH-SWLSCSKDSA-N 1 2 301.346 2.740 20 5 DFBDLO COC(=O)C1(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413244465 428000496 /nfs/dbraw/zinc/00/04/96/428000496.db2.gz FGQWNYNWPKDBEB-UHFFFAOYSA-N 1 2 301.302 2.508 20 5 DFBDLO CCn1cc[nH+]c1CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413311036 428015784 /nfs/dbraw/zinc/01/57/84/428015784.db2.gz HTJHILBTUDIORW-UHFFFAOYSA-N 1 2 315.255 2.837 20 5 DFBDLO CN(C)c1ccc(CNc2nc3ccccc3cc2[N+](=O)[O-])c[nH+]1 ZINC000352354663 428133085 /nfs/dbraw/zinc/13/30/85/428133085.db2.gz CQQKWECUBGTDQH-UHFFFAOYSA-N 1 2 323.356 3.216 20 5 DFBDLO COc1cc(C[N@H+](C)Cc2ccoc2)c([N+](=O)[O-])cc1OC ZINC000352644447 428181658 /nfs/dbraw/zinc/18/16/58/428181658.db2.gz PHDAVKRYIIFHBO-UHFFFAOYSA-N 1 2 306.318 2.837 20 5 DFBDLO COc1cc(C[N@@H+](C)Cc2ccoc2)c([N+](=O)[O-])cc1OC ZINC000352644447 428181661 /nfs/dbraw/zinc/18/16/61/428181661.db2.gz PHDAVKRYIIFHBO-UHFFFAOYSA-N 1 2 306.318 2.837 20 5 DFBDLO CC1(C)CC[C@H](C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)O1 ZINC000352708018 428214324 /nfs/dbraw/zinc/21/43/24/428214324.db2.gz UVQJFDJWFWFZQE-CQSZACIVSA-N 1 2 306.362 2.747 20 5 DFBDLO CC1(C)CC[C@H](C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)O1 ZINC000352708018 428214328 /nfs/dbraw/zinc/21/43/28/428214328.db2.gz UVQJFDJWFWFZQE-CQSZACIVSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1ccc(CNc2cc[nH+]c(C(C)C)n2)cc1[N+](=O)[O-] ZINC000346603799 428235675 /nfs/dbraw/zinc/23/56/75/428235675.db2.gz HIJBPEPDXPPYNT-UHFFFAOYSA-N 1 2 302.334 3.129 20 5 DFBDLO COC(=O)[C@@H](CC1CC1)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414487797 428316592 /nfs/dbraw/zinc/31/65/92/428316592.db2.gz LEJKPBOLHJGKEO-IUODEOHRSA-N 1 2 320.389 2.847 20 5 DFBDLO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1c(F)cccc1Cl ZINC000342342302 428409204 /nfs/dbraw/zinc/40/92/04/428409204.db2.gz LKHJGLHGSWUYCN-QMMMGPOBSA-N 1 2 312.732 2.972 20 5 DFBDLO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1c(F)cccc1Cl ZINC000342342298 428409406 /nfs/dbraw/zinc/40/94/06/428409406.db2.gz LKHJGLHGSWUYCN-MRVPVSSYSA-N 1 2 312.732 2.972 20 5 DFBDLO CC[N@H+](CC(=O)OC)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000353267777 428459646 /nfs/dbraw/zinc/45/96/46/428459646.db2.gz ONXKIGXZUPMNRD-UHFFFAOYSA-N 1 2 318.329 2.850 20 5 DFBDLO CC[N@@H+](CC(=O)OC)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000353267777 428459651 /nfs/dbraw/zinc/45/96/51/428459651.db2.gz ONXKIGXZUPMNRD-UHFFFAOYSA-N 1 2 318.329 2.850 20 5 DFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000361403990 428562982 /nfs/dbraw/zinc/56/29/82/428562982.db2.gz QFNBSVREYPMFCM-JTQLQIEISA-N 1 2 320.723 2.698 20 5 DFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000361403990 428562987 /nfs/dbraw/zinc/56/29/87/428562987.db2.gz QFNBSVREYPMFCM-JTQLQIEISA-N 1 2 320.723 2.698 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000373727821 428643120 /nfs/dbraw/zinc/64/31/20/428643120.db2.gz NBVMYSIJDSGUCY-LBPRGKRZSA-N 1 2 301.346 2.982 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCn2cccc2[C@@H]1C ZINC000373727821 428643124 /nfs/dbraw/zinc/64/31/24/428643124.db2.gz NBVMYSIJDSGUCY-LBPRGKRZSA-N 1 2 301.346 2.982 20 5 DFBDLO Cc1c(C[N@H+]2CC(=O)N(C(C)C)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000362355328 428717276 /nfs/dbraw/zinc/71/72/76/428717276.db2.gz WNQZTJQRTMHWFT-UHFFFAOYSA-N 1 2 319.405 2.734 20 5 DFBDLO Cc1c(C[N@@H+]2CC(=O)N(C(C)C)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000362355328 428717280 /nfs/dbraw/zinc/71/72/80/428717280.db2.gz WNQZTJQRTMHWFT-UHFFFAOYSA-N 1 2 319.405 2.734 20 5 DFBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@](F)(c3ccccc3F)C2)c1 ZINC000374814093 428757493 /nfs/dbraw/zinc/75/74/93/428757493.db2.gz KPGHMXCSDZRLJS-OAHLLOKOSA-N 1 2 322.315 2.501 20 5 DFBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@](F)(c3ccccc3F)C2)c1 ZINC000374814093 428757499 /nfs/dbraw/zinc/75/74/99/428757499.db2.gz KPGHMXCSDZRLJS-OAHLLOKOSA-N 1 2 322.315 2.501 20 5 DFBDLO Nc1c(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)cccc1[N+](=O)[O-] ZINC000362490328 428768358 /nfs/dbraw/zinc/76/83/58/428768358.db2.gz QWSQXROLONWBBV-UHFFFAOYSA-N 1 2 323.312 2.615 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCO[C@H](CF)C1 ZINC000411859530 428872917 /nfs/dbraw/zinc/87/29/17/428872917.db2.gz OVWJWAPWKWGCEH-CQSZACIVSA-N 1 2 312.341 2.554 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCO[C@H](CF)C1 ZINC000411859530 428872922 /nfs/dbraw/zinc/87/29/22/428872922.db2.gz OVWJWAPWKWGCEH-CQSZACIVSA-N 1 2 312.341 2.554 20 5 DFBDLO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccon2)cccc1[N+](=O)[O-] ZINC000349254529 428951632 /nfs/dbraw/zinc/95/16/32/428951632.db2.gz YTGDFMFRGCYAEG-MNOVXSKESA-N 1 2 318.333 2.569 20 5 DFBDLO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccn(C)n1 ZINC000349468696 428994118 /nfs/dbraw/zinc/99/41/18/428994118.db2.gz ZMFUHMYFWZVZGS-ZDUSSCGKSA-N 1 2 304.350 2.578 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(C)[nH+]c1C ZINC000494702630 429144704 /nfs/dbraw/zinc/14/47/04/429144704.db2.gz JULAKGRACHGJIF-UHFFFAOYSA-N 1 2 301.302 2.868 20 5 DFBDLO CSC[C@@H](CCO)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413152761 429150273 /nfs/dbraw/zinc/15/02/73/429150273.db2.gz IZOXZMYQMXHCFI-LLVKDONJSA-N 1 2 307.375 2.669 20 5 DFBDLO Cn1cc([C@H]2CCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)C2)cn1 ZINC000413151503 429151599 /nfs/dbraw/zinc/15/15/99/429151599.db2.gz XMMIUMVADOSYDA-ZDUSSCGKSA-N 1 2 323.356 2.870 20 5 DFBDLO O=[N+]([O-])c1ccc2ccnc(SCC[NH+]3CCOCC3)c2c1 ZINC000413031977 429125415 /nfs/dbraw/zinc/12/54/15/429125415.db2.gz GXEMRKBQYNVPMT-UHFFFAOYSA-N 1 2 319.386 2.567 20 5 DFBDLO O=c1c2ccccc2n(Cc2[nH]c3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000487887242 429171573 /nfs/dbraw/zinc/17/15/73/429171573.db2.gz YIKISRKNIZOSQT-UHFFFAOYSA-N 1 2 320.308 2.834 20 5 DFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000456360194 429288752 /nfs/dbraw/zinc/28/87/52/429288752.db2.gz RKDQOMRNICTYIS-VIFPVBQESA-N 1 2 322.752 2.956 20 5 DFBDLO Cc1ccc(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000456408630 429300269 /nfs/dbraw/zinc/30/02/69/429300269.db2.gz ZFMKKKKFIUMQSN-CMPLNLGQSA-N 1 2 300.318 2.536 20 5 DFBDLO CC[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1COC1 ZINC000425493924 429309043 /nfs/dbraw/zinc/30/90/43/429309043.db2.gz PTHMJXBJMITYOP-UHFFFAOYSA-N 1 2 315.167 2.578 20 5 DFBDLO CC[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1COC1 ZINC000425493924 429309045 /nfs/dbraw/zinc/30/90/45/429309045.db2.gz PTHMJXBJMITYOP-UHFFFAOYSA-N 1 2 315.167 2.578 20 5 DFBDLO C[N@@H+]1CCO[C@@H](CSc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000519147159 429448172 /nfs/dbraw/zinc/44/81/72/429448172.db2.gz KIWOKSFSHKBZBO-SNVBAGLBSA-N 1 2 302.783 2.671 20 5 DFBDLO C[N@H+]1CCO[C@@H](CSc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000519147159 429448177 /nfs/dbraw/zinc/44/81/77/429448177.db2.gz KIWOKSFSHKBZBO-SNVBAGLBSA-N 1 2 302.783 2.671 20 5 DFBDLO C[C@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000366579667 429481698 /nfs/dbraw/zinc/48/16/98/429481698.db2.gz RKKHNDCEPIMGHK-LRDDRELGSA-N 1 2 324.352 2.504 20 5 DFBDLO C[C@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000366579667 429481702 /nfs/dbraw/zinc/48/17/02/429481702.db2.gz RKKHNDCEPIMGHK-LRDDRELGSA-N 1 2 324.352 2.504 20 5 DFBDLO O=C(N[C@@H]1C=CCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450108411 429568039 /nfs/dbraw/zinc/56/80/39/429568039.db2.gz VMNQFBGZAICQPM-CYBMUJFWSA-N 1 2 312.329 2.619 20 5 DFBDLO COC(=O)[C@H](CC(C)C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000429156298 429583669 /nfs/dbraw/zinc/58/36/69/429583669.db2.gz LBGLZFBTVICNKC-AWEZNQCLSA-N 1 2 324.377 2.623 20 5 DFBDLO COC(=O)[C@H](CC(C)C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000429156298 429583672 /nfs/dbraw/zinc/58/36/72/429583672.db2.gz LBGLZFBTVICNKC-AWEZNQCLSA-N 1 2 324.377 2.623 20 5 DFBDLO CC(C)[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449918202 429537171 /nfs/dbraw/zinc/53/71/71/429537171.db2.gz HRGVIMDTHSKILQ-GFCCVEGCSA-N 1 2 316.361 2.802 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])c(N(C)Cc2cn3c([nH+]2)CCCC3)n1 ZINC000428683442 429544114 /nfs/dbraw/zinc/54/41/14/429544114.db2.gz STEUDBZWXSCYCN-UHFFFAOYSA-N 1 2 315.377 2.776 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000430209183 429663040 /nfs/dbraw/zinc/66/30/40/429663040.db2.gz XHGRSJUCCCGANS-UHFFFAOYSA-N 1 2 314.341 2.867 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2ccc(O)cc2C1 ZINC000430209183 429663044 /nfs/dbraw/zinc/66/30/44/429663044.db2.gz XHGRSJUCCCGANS-UHFFFAOYSA-N 1 2 314.341 2.867 20 5 DFBDLO C[C@@H]1C[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000493198356 429710049 /nfs/dbraw/zinc/71/00/49/429710049.db2.gz ZPNVPJHGKOGFRA-VKYBYORPSA-N 1 2 312.329 2.627 20 5 DFBDLO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000088559693 276702915 /nfs/dbraw/zinc/70/29/15/276702915.db2.gz DHSCKARXGQEYDR-BXUZGUMPSA-N 1 2 315.377 2.934 20 5 DFBDLO CCc1cc(N)nc(SCc2cccc([N+](=O)[O-])c2C)[nH+]1 ZINC000574361314 430035741 /nfs/dbraw/zinc/03/57/41/430035741.db2.gz DBQDCAQBBPKHHU-UHFFFAOYSA-N 1 2 304.375 3.130 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc2c(n1)CCC2 ZINC000580997722 430169291 /nfs/dbraw/zinc/16/92/91/430169291.db2.gz UMMSUPRRXOWHNR-UHFFFAOYSA-N 1 2 313.357 2.777 20 5 DFBDLO O=[N+]([O-])c1cccc2c1ccnc2NCCCCn1cc[nH+]c1 ZINC000578603932 430121081 /nfs/dbraw/zinc/12/10/81/430121081.db2.gz ODDZXHKZWXHPNF-UHFFFAOYSA-N 1 2 311.345 3.232 20 5 DFBDLO Cc1cccn2cc(Cc3noc(-c4ccc([N+](=O)[O-])[nH]4)n3)[nH+]c12 ZINC000546387448 430350410 /nfs/dbraw/zinc/35/04/10/430350410.db2.gz VRSAQSRGVRTARI-UHFFFAOYSA-N 1 2 324.300 2.520 20 5 DFBDLO COc1cccc([N+](=O)[O-])c1N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000569988626 430503227 /nfs/dbraw/zinc/50/32/27/430503227.db2.gz SIEIWHYGAGRADS-UHFFFAOYSA-N 1 2 316.361 2.773 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCC[C@@H]3CCCOC3)c2c1 ZINC000599117471 430527222 /nfs/dbraw/zinc/52/72/22/430527222.db2.gz UTVNKWSLUZQBNK-LBPRGKRZSA-N 1 2 301.346 3.372 20 5 DFBDLO C[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000552559560 430599330 /nfs/dbraw/zinc/59/93/30/430599330.db2.gz ZEEBFDQDGOYLIU-ZJUUUORDSA-N 1 2 320.374 2.676 20 5 DFBDLO COc1ccccc1C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000356512908 278049480 /nfs/dbraw/zinc/04/94/80/278049480.db2.gz BWDOEZZALPMKQV-UHFFFAOYSA-N 1 2 314.341 2.998 20 5 DFBDLO COc1ccccc1C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000356512908 278049481 /nfs/dbraw/zinc/04/94/81/278049481.db2.gz BWDOEZZALPMKQV-UHFFFAOYSA-N 1 2 314.341 2.998 20 5 DFBDLO CCn1cc(CN(C)c2[nH+]ccc3ccc([N+](=O)[O-])cc32)cn1 ZINC000556839842 430694457 /nfs/dbraw/zinc/69/44/57/430694457.db2.gz VETBGUPXQBWVBA-UHFFFAOYSA-N 1 2 311.345 2.996 20 5 DFBDLO Cc1ccc(N2CC[NH+](Cc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000267208838 278821710 /nfs/dbraw/zinc/82/17/10/278821710.db2.gz LKAOSERNVWDXER-UHFFFAOYSA-N 1 2 312.373 2.620 20 5 DFBDLO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330456542 279231542 /nfs/dbraw/zinc/23/15/42/279231542.db2.gz PPOKEIXSQCDBRE-GOEBONIOSA-N 1 2 308.378 2.984 20 5 DFBDLO Cc1ccc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000302755277 280864337 /nfs/dbraw/zinc/86/43/37/280864337.db2.gz IJDAHICTBPQYCV-OAHLLOKOSA-N 1 2 316.361 2.576 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)c1 ZINC000302829810 281010462 /nfs/dbraw/zinc/01/04/62/281010462.db2.gz KCPNLFWHURMTRU-HNNXBMFYSA-N 1 2 316.361 2.576 20 5 DFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H](C)C1 ZINC000299595710 289381236 /nfs/dbraw/zinc/38/12/36/289381236.db2.gz FKOGFXPKRNLVKH-VHSXEESVSA-N 1 2 311.769 2.917 20 5 DFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H](C)C1 ZINC000299595710 289381239 /nfs/dbraw/zinc/38/12/39/289381239.db2.gz FKOGFXPKRNLVKH-VHSXEESVSA-N 1 2 311.769 2.917 20 5 DFBDLO CC(C)c1ccc(C[NH2+][C@H](C)c2ncn(C)n2)cc1[N+](=O)[O-] ZINC000436408832 297001983 /nfs/dbraw/zinc/00/19/83/297001983.db2.gz XHSKCCLVTOCPGH-LLVKDONJSA-N 1 2 303.366 2.698 20 5 DFBDLO Cc1nc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cs1 ZINC000446849438 297288886 /nfs/dbraw/zinc/28/88/86/297288886.db2.gz YLGSJEKKHQKMEW-UHFFFAOYSA-N 1 2 303.347 2.526 20 5 DFBDLO CC1(C)C[C@@H]1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447817450 297318260 /nfs/dbraw/zinc/31/82/60/297318260.db2.gz QCHFUDDEBIWESI-CQSZACIVSA-N 1 2 319.405 2.885 20 5 DFBDLO CC[C@@H](C)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448793780 297369040 /nfs/dbraw/zinc/36/90/40/297369040.db2.gz SXVDURFJTHJLAT-NEPJUHHUSA-N 1 2 316.361 2.945 20 5 DFBDLO CN(CC1CCC1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448957030 297382845 /nfs/dbraw/zinc/38/28/45/297382845.db2.gz TUMHBAVGUKQEEP-UHFFFAOYSA-N 1 2 314.345 2.653 20 5 DFBDLO CCn1nnc(C)c1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000449008788 297389646 /nfs/dbraw/zinc/38/96/46/297389646.db2.gz FMFKHUTUENHJSW-UHFFFAOYSA-N 1 2 315.377 2.679 20 5 DFBDLO CCn1nnc(C)c1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000449008788 297389648 /nfs/dbraw/zinc/38/96/48/297389648.db2.gz FMFKHUTUENHJSW-UHFFFAOYSA-N 1 2 315.377 2.679 20 5 DFBDLO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120193708 304532319 /nfs/dbraw/zinc/53/23/19/304532319.db2.gz QJOPXZPEGVZSQI-CYBMUJFWSA-N 1 2 318.308 2.824 20 5 DFBDLO CC(C)[C@@H]1CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450637369 297660031 /nfs/dbraw/zinc/66/00/31/297660031.db2.gz QEWVCMSKUXKKGX-ZDUSSCGKSA-N 1 2 314.345 2.651 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2c[nH+]c3n2CCCC3)c1 ZINC000452336766 297960110 /nfs/dbraw/zinc/96/01/10/297960110.db2.gz WLTBPDUEOIRALS-UHFFFAOYSA-N 1 2 300.318 2.688 20 5 DFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000454321001 298155020 /nfs/dbraw/zinc/15/50/20/298155020.db2.gz IYBYOIGBBGKRJO-VIFPVBQESA-N 1 2 321.312 2.833 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000456420438 298524820 /nfs/dbraw/zinc/52/48/20/298524820.db2.gz MONYVVQPROBSQN-GHMZBOCLSA-N 1 2 300.318 2.536 20 5 DFBDLO O=C(Nc1ccc(-c2c[nH]c[nH+]2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000531633889 301101110 /nfs/dbraw/zinc/10/11/10/301101110.db2.gz OLSFHRKNPJHHFG-UHFFFAOYSA-N 1 2 309.285 2.632 20 5 DFBDLO C[C@@H]1C[C@H](C)C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000533295443 301194638 /nfs/dbraw/zinc/19/46/38/301194638.db2.gz ZYEVVBZXYOHWMM-VHSXEESVSA-N 1 2 311.769 2.917 20 5 DFBDLO C[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000533295443 301194640 /nfs/dbraw/zinc/19/46/40/301194640.db2.gz ZYEVVBZXYOHWMM-VHSXEESVSA-N 1 2 311.769 2.917 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3ccsc3)CC2)n1 ZINC000534529855 301233478 /nfs/dbraw/zinc/23/34/78/301233478.db2.gz ZYXXVWOTDMWGAR-UHFFFAOYSA-N 1 2 318.402 2.682 20 5 DFBDLO O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)c1ccccc1[N+](=O)[O-] ZINC000538651648 301325709 /nfs/dbraw/zinc/32/57/09/301325709.db2.gz GXUGGPWGELURCU-UHFFFAOYSA-N 1 2 322.324 2.915 20 5 DFBDLO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000563407969 302068797 /nfs/dbraw/zinc/06/87/97/302068797.db2.gz IBMZYMGFFUKBRC-UHFFFAOYSA-N 1 2 320.393 2.695 20 5 DFBDLO CC(C)(C)c1nnc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])[nH]1 ZINC000565218342 302209061 /nfs/dbraw/zinc/20/90/61/302209061.db2.gz NJOJHOZXHCVPTA-LBPRGKRZSA-N 1 2 315.377 2.788 20 5 DFBDLO C[C@@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])[C@@H]1C ZINC000571746476 302631830 /nfs/dbraw/zinc/63/18/30/302631830.db2.gz CDMJRFOLDWBRKW-ZIAGYGMSSA-N 1 2 319.405 2.662 20 5 DFBDLO Cn1cc[nH+]c1[C@H]1N(Cc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000294825425 303011194 /nfs/dbraw/zinc/01/11/94/303011194.db2.gz PLEGZHJYGQXBPR-CQSZACIVSA-N 1 2 300.362 2.911 20 5 DFBDLO O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)nc1 ZINC000275798016 304803085 /nfs/dbraw/zinc/80/30/85/304803085.db2.gz ZUEPCQCHJAZMLD-CQSZACIVSA-N 1 2 313.361 2.933 20 5 DFBDLO C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc2[nH+]ccn2c1 ZINC000171445065 315919810 /nfs/dbraw/zinc/91/98/10/315919810.db2.gz ISSJPDVDBHZTNW-NSHDSACASA-N 1 2 322.324 2.834 20 5 DFBDLO CC(C)n1cc(C(C)(C)[NH2+]Cc2csc([N+](=O)[O-])c2)nn1 ZINC000421409012 316735417 /nfs/dbraw/zinc/73/54/17/316735417.db2.gz ZMKXNYRUVRSCTE-UHFFFAOYSA-N 1 2 309.395 2.854 20 5 DFBDLO CCc1ccc(C(=O)NCCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000530836733 317790433 /nfs/dbraw/zinc/79/04/33/317790433.db2.gz PLNGQCWMIQSHDF-UHFFFAOYSA-N 1 2 316.361 2.564 20 5 DFBDLO CNc1ccc(C(=O)NCc2cc(C)[nH+]c(C)c2)cc1[N+](=O)[O-] ZINC000565710957 317927871 /nfs/dbraw/zinc/92/78/71/317927871.db2.gz WPFBZZOKLXFKCW-UHFFFAOYSA-N 1 2 314.345 2.578 20 5 DFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1CC=CCC1 ZINC000574872893 318046593 /nfs/dbraw/zinc/04/65/93/318046593.db2.gz CYISCLRTXFSVCU-OAHLLOKOSA-N 1 2 317.389 2.948 20 5 DFBDLO C[C@H](O)[C@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000578736890 318281117 /nfs/dbraw/zinc/28/11/17/318281117.db2.gz RBRGMDBLUHCIKZ-AAEUAGOBSA-N 1 2 301.346 2.740 20 5 DFBDLO C[C@@H](CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC000578753006 318282890 /nfs/dbraw/zinc/28/28/90/318282890.db2.gz DUPKYGBYOYXWTB-LBPRGKRZSA-N 1 2 316.361 2.794 20 5 DFBDLO O=[N+]([O-])c1cc2c(nc1NCCCn1cc[nH+]c1)CCCC2 ZINC000579826495 318356869 /nfs/dbraw/zinc/35/68/69/318356869.db2.gz AMFBCGIAZXBMKA-UHFFFAOYSA-N 1 2 301.350 2.567 20 5 DFBDLO Cc1[nH+]c2ccccc2n1CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000194953626 323275112 /nfs/dbraw/zinc/27/51/12/323275112.db2.gz NHHGZIUGPPLVPU-UHFFFAOYSA-N 1 2 324.340 2.569 20 5 DFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000584588612 337370236 /nfs/dbraw/zinc/37/02/36/337370236.db2.gz RKDZEOLYYZGHPN-WFASDCNBSA-N 1 2 308.403 2.864 20 5 DFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000584588612 337370237 /nfs/dbraw/zinc/37/02/37/337370237.db2.gz RKDZEOLYYZGHPN-WFASDCNBSA-N 1 2 308.403 2.864 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299646631 534331998 /nfs/dbraw/zinc/33/19/98/534331998.db2.gz JVNRKRJLZSBHHO-UHFFFAOYSA-N 1 2 314.345 2.646 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@@H](n4ccnn4)C3)c2c1 ZINC000425270549 518203184 /nfs/dbraw/zinc/20/31/84/518203184.db2.gz AHIJHVPMLURCEL-CQSZACIVSA-N 1 2 324.344 2.576 20 5 DFBDLO CCCc1nc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)no1 ZINC000338359594 521501204 /nfs/dbraw/zinc/50/12/04/521501204.db2.gz QHBZOHSUKHRYQF-UHFFFAOYSA-N 1 2 304.350 2.605 20 5 DFBDLO CCCc1nc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)no1 ZINC000338359594 521501208 /nfs/dbraw/zinc/50/12/08/521501208.db2.gz QHBZOHSUKHRYQF-UHFFFAOYSA-N 1 2 304.350 2.605 20 5 DFBDLO CC(C)c1nc(N(C)C)nc(NCc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302014343 528294386 /nfs/dbraw/zinc/29/43/86/528294386.db2.gz XPYYULCKWABHJQ-UHFFFAOYSA-N 1 2 316.365 2.581 20 5 DFBDLO CC(C)c1nc(NCc2ccc([N+](=O)[O-])cc2)nc(N(C)C)[nH+]1 ZINC000302014343 528294392 /nfs/dbraw/zinc/29/43/92/528294392.db2.gz XPYYULCKWABHJQ-UHFFFAOYSA-N 1 2 316.365 2.581 20 5 DFBDLO COC(=O)Cc1cc[nH+]c(N[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000596186395 398351607 /nfs/dbraw/zinc/35/16/07/398351607.db2.gz VMZYXGYINRNXHA-LLVKDONJSA-N 1 2 315.329 2.878 20 5 DFBDLO CS[C@@H](CO)[C@@H](C)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413160867 295681615 /nfs/dbraw/zinc/68/16/15/295681615.db2.gz YOXZWMDQUGPCMN-RNCFNFMXSA-N 1 2 307.375 2.667 20 5 DFBDLO Cc1[nH]c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2[nH+]1 ZINC000010657046 398378432 /nfs/dbraw/zinc/37/84/32/398378432.db2.gz TUAIYRRGBMUILJ-UHFFFAOYSA-N 1 2 310.313 2.961 20 5 DFBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCO[C@H]4CCCC[C@@H]43)nc2c1 ZINC000083169304 398383680 /nfs/dbraw/zinc/38/36/80/398383680.db2.gz KWMFEPOASGAVDD-ZFWWWQNUSA-N 1 2 317.345 2.879 20 5 DFBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCO[C@H]4CCCC[C@@H]43)nc2c1 ZINC000083169304 398383682 /nfs/dbraw/zinc/38/36/82/398383682.db2.gz KWMFEPOASGAVDD-ZFWWWQNUSA-N 1 2 317.345 2.879 20 5 DFBDLO CCO[C@@H]1C[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)[C@@H]1OC ZINC000413237439 295689375 /nfs/dbraw/zinc/68/93/75/295689375.db2.gz RVLBLYROUJPNKX-ZNMIVQPWSA-N 1 2 317.345 2.747 20 5 DFBDLO CO[C@@H](CNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)[C@H]1CCOC1 ZINC000596318941 398385642 /nfs/dbraw/zinc/38/56/42/398385642.db2.gz QZZPWDBYRZYAOH-WFASDCNBSA-N 1 2 317.345 2.606 20 5 DFBDLO C[C@@H]1CC2(C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-])CCOCC2 ZINC000592184615 398398660 /nfs/dbraw/zinc/39/86/60/398398660.db2.gz QHKICKKYBDXESU-GFCCVEGCSA-N 1 2 306.362 2.691 20 5 DFBDLO C[C@@H]1CC2(C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-])CCOCC2 ZINC000592184615 398398664 /nfs/dbraw/zinc/39/86/64/398398664.db2.gz QHKICKKYBDXESU-GFCCVEGCSA-N 1 2 306.362 2.691 20 5 DFBDLO C[N@H+](CC(=O)Nc1cccc(F)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000016631034 398402317 /nfs/dbraw/zinc/40/23/17/398402317.db2.gz DALXQSJQUOCDEB-UHFFFAOYSA-N 1 2 317.320 2.804 20 5 DFBDLO C[N@@H+](CC(=O)Nc1cccc(F)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000016631034 398402318 /nfs/dbraw/zinc/40/23/18/398402318.db2.gz DALXQSJQUOCDEB-UHFFFAOYSA-N 1 2 317.320 2.804 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCO[C@@H]3CC3(F)F)c2c1 ZINC000596448609 398415211 /nfs/dbraw/zinc/41/52/11/398415211.db2.gz WINUEBWLBKKAGU-GFCCVEGCSA-N 1 2 309.272 2.979 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(N2CCN(C3=[NH+]C[C@H](C)S3)CC2)c1 ZINC000088725891 398440886 /nfs/dbraw/zinc/44/08/86/398440886.db2.gz OJWVVDGRYCRRST-LBPRGKRZSA-N 1 2 320.418 2.517 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H]2Cn2cccn2)c(F)c1 ZINC000586763663 398455342 /nfs/dbraw/zinc/45/53/42/398455342.db2.gz IMNRMJLLONAGOM-NSHDSACASA-N 1 2 322.315 2.734 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H]2Cn2cccn2)c(F)c1 ZINC000586763663 398455346 /nfs/dbraw/zinc/45/53/46/398455346.db2.gz IMNRMJLLONAGOM-NSHDSACASA-N 1 2 322.315 2.734 20 5 DFBDLO Cc1cccc2[nH+]c(CNc3c(Cl)cncc3[N+](=O)[O-])cn21 ZINC000589113857 398527387 /nfs/dbraw/zinc/52/73/87/398527387.db2.gz QAQGDHRJCJGGJC-UHFFFAOYSA-N 1 2 317.736 2.633 20 5 DFBDLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000593056277 398533645 /nfs/dbraw/zinc/53/36/45/398533645.db2.gz DSLIJSYPIHHMJV-CYBMUJFWSA-N 1 2 308.378 2.993 20 5 DFBDLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000593056277 398533649 /nfs/dbraw/zinc/53/36/49/398533649.db2.gz DSLIJSYPIHHMJV-CYBMUJFWSA-N 1 2 308.378 2.993 20 5 DFBDLO C[C@@H](C1CC1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032665846 398534772 /nfs/dbraw/zinc/53/47/72/398534772.db2.gz DNNVTGMXASTSKX-NSHDSACASA-N 1 2 314.345 2.651 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](CC)CO1 ZINC000593059720 398535108 /nfs/dbraw/zinc/53/51/08/398535108.db2.gz SNIKXLMLPMZDAC-UONOGXRCSA-N 1 2 308.378 2.993 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](CC)CO1 ZINC000593059720 398535109 /nfs/dbraw/zinc/53/51/09/398535109.db2.gz SNIKXLMLPMZDAC-UONOGXRCSA-N 1 2 308.378 2.993 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC2(C1)CCCOC2 ZINC000459612697 299147916 /nfs/dbraw/zinc/14/79/16/299147916.db2.gz WEXUESRCKJUOGL-UHFFFAOYSA-N 1 2 306.362 2.606 20 5 DFBDLO Cc1nc(C)c(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000459619968 299149637 /nfs/dbraw/zinc/14/96/37/299149637.db2.gz JXUXFPPSONJSEA-UHFFFAOYSA-N 1 2 319.386 2.931 20 5 DFBDLO CCc1cc[nH+]cc1NCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000593221584 398574068 /nfs/dbraw/zinc/57/40/68/398574068.db2.gz DPBHCYOGRBCPOR-UHFFFAOYSA-N 1 2 315.329 2.936 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000093437902 398636515 /nfs/dbraw/zinc/63/65/15/398636515.db2.gz NLUURVVZERKKRZ-CQSZACIVSA-N 1 2 302.334 2.751 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000093437902 398636519 /nfs/dbraw/zinc/63/65/19/398636519.db2.gz NLUURVVZERKKRZ-CQSZACIVSA-N 1 2 302.334 2.751 20 5 DFBDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093863678 398647769 /nfs/dbraw/zinc/64/77/69/398647769.db2.gz BMWOPPRQOAXSBR-OAHLLOKOSA-N 1 2 316.361 2.543 20 5 DFBDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093863678 398647770 /nfs/dbraw/zinc/64/77/70/398647770.db2.gz BMWOPPRQOAXSBR-OAHLLOKOSA-N 1 2 316.361 2.543 20 5 DFBDLO Cc1cnc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000174242065 198309740 /nfs/dbraw/zinc/30/97/40/198309740.db2.gz IQRONGUTCLWWKJ-UHFFFAOYSA-N 1 2 317.345 2.935 20 5 DFBDLO Cc1[nH+]c2ccccc2n1CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000005628045 181265541 /nfs/dbraw/zinc/26/55/41/181265541.db2.gz GYVSTRZZYITOLI-UHFFFAOYSA-N 1 2 310.313 2.892 20 5 DFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000075597059 398812054 /nfs/dbraw/zinc/81/20/54/398812054.db2.gz VISCTYKCJMYOSW-CYBMUJFWSA-N 1 2 319.405 2.846 20 5 DFBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000598464991 398817230 /nfs/dbraw/zinc/81/72/30/398817230.db2.gz MWJMCOUHTSFVMN-VIFPVBQESA-N 1 2 322.752 2.781 20 5 DFBDLO CCn1c(C)nc([N+](=O)[O-])c1NCCc1[nH+]cc(C)cc1C ZINC000594594940 398826335 /nfs/dbraw/zinc/82/63/35/398826335.db2.gz CAODFRGKYVWYCV-UHFFFAOYSA-N 1 2 303.366 2.786 20 5 DFBDLO C[C@H]([NH2+][C@@H](C)c1cscn1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000594714101 398847257 /nfs/dbraw/zinc/84/72/57/398847257.db2.gz XOIKIKRAPNZXRH-UWVGGRQHSA-N 1 2 320.374 2.729 20 5 DFBDLO CO[C@H](C)c1noc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000180406562 199155445 /nfs/dbraw/zinc/15/54/45/199155445.db2.gz NERGLGNTUBFBPY-NXEZZACHSA-N 1 2 306.322 2.536 20 5 DFBDLO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c2ncnn21 ZINC000594958030 398882087 /nfs/dbraw/zinc/88/20/87/398882087.db2.gz XLUIOVGCTVKBEW-PRHODGIISA-N 1 2 307.741 2.635 20 5 DFBDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1cscn1 ZINC000594966145 398883233 /nfs/dbraw/zinc/88/32/33/398883233.db2.gz NPEBVEWQFBSCNZ-SECBINFHSA-N 1 2 321.358 2.769 20 5 DFBDLO CCc1nnc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)[nH]1 ZINC000595033100 398895235 /nfs/dbraw/zinc/89/52/35/398895235.db2.gz ARUALBPTBXCFKZ-ZJUUUORDSA-N 1 2 319.365 2.696 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](CCO)c1ccco1 ZINC000595031712 398895259 /nfs/dbraw/zinc/89/52/59/398895259.db2.gz BWNIXHQUXIGLGA-FZMZJTMJSA-N 1 2 320.345 2.971 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1nnc(C)s1 ZINC000595035131 398895644 /nfs/dbraw/zinc/89/56/44/398895644.db2.gz VKEJURZIMQQCTM-MRVPVSSYSA-N 1 2 308.363 2.614 20 5 DFBDLO CCn1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)n1 ZINC000595053547 398898150 /nfs/dbraw/zinc/89/81/50/398898150.db2.gz WCWWWSMHEYTEHT-NSHDSACASA-N 1 2 304.350 2.671 20 5 DFBDLO Cc1cc(N2CCO[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000054389676 398898573 /nfs/dbraw/zinc/89/85/73/398898573.db2.gz NKINKIBUBUNLFF-LBPRGKRZSA-N 1 2 314.345 2.585 20 5 DFBDLO CC1(C)CCC[C@](CO)([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000598994725 398905127 /nfs/dbraw/zinc/90/51/27/398905127.db2.gz HYBUHQPMWWJFDH-INIZCTEOSA-N 1 2 308.378 2.721 20 5 DFBDLO CCC[C@H]1C(=O)NCC[N@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470179659 299293246 /nfs/dbraw/zinc/29/32/46/299293246.db2.gz ARATZHBYKLZFCW-ISBHARSQSA-N 1 2 317.389 2.599 20 5 DFBDLO CCC[C@H]1C(=O)NCC[N@@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470179659 299293249 /nfs/dbraw/zinc/29/32/49/299293249.db2.gz ARATZHBYKLZFCW-ISBHARSQSA-N 1 2 317.389 2.599 20 5 DFBDLO NC(=O)C1CCC(Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599042126 398911360 /nfs/dbraw/zinc/91/13/60/398911360.db2.gz KAIKSLYDCMBGRX-UHFFFAOYSA-N 1 2 314.345 2.599 20 5 DFBDLO NC(=O)C1(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CCCC1 ZINC000599046353 398912852 /nfs/dbraw/zinc/91/28/52/398912852.db2.gz OMICYRVKHHLXJF-UHFFFAOYSA-N 1 2 314.345 2.601 20 5 DFBDLO CCC(=O)N1CC[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599056119 398914496 /nfs/dbraw/zinc/91/44/96/398914496.db2.gz JTEGWCNCPUDUEG-GFCCVEGCSA-N 1 2 314.345 2.566 20 5 DFBDLO COCC[N@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1ccccc1 ZINC000595293095 398916939 /nfs/dbraw/zinc/91/69/39/398916939.db2.gz YKJMOGOLNGCGEE-UHFFFAOYSA-N 1 2 305.334 2.540 20 5 DFBDLO COCC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1ccccc1 ZINC000595293095 398916944 /nfs/dbraw/zinc/91/69/44/398916944.db2.gz YKJMOGOLNGCGEE-UHFFFAOYSA-N 1 2 305.334 2.540 20 5 DFBDLO Cc1cnc(N(C)CCc2[nH]c3ccccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000599090360 398919594 /nfs/dbraw/zinc/91/95/94/398919594.db2.gz DVWFKSHNRYDZES-UHFFFAOYSA-N 1 2 311.345 2.853 20 5 DFBDLO COc1ccc2c(c1)CCC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])C2 ZINC000595308530 398920531 /nfs/dbraw/zinc/92/05/31/398920531.db2.gz PRLPZRBMXHDZKB-UHFFFAOYSA-N 1 2 317.345 2.848 20 5 DFBDLO COc1ccc2c(c1)CCC[N@H+](Cc1onc(C)c1[N+](=O)[O-])C2 ZINC000595308530 398920532 /nfs/dbraw/zinc/92/05/32/398920532.db2.gz PRLPZRBMXHDZKB-UHFFFAOYSA-N 1 2 317.345 2.848 20 5 DFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000595311450 398921245 /nfs/dbraw/zinc/92/12/45/398921245.db2.gz KKCUTKHVYVCZNS-JQWIXIFHSA-N 1 2 322.258 2.622 20 5 DFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000595311450 398921246 /nfs/dbraw/zinc/92/12/46/398921246.db2.gz KKCUTKHVYVCZNS-JQWIXIFHSA-N 1 2 322.258 2.622 20 5 DFBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H](c2cc(C)cc[nH+]2)C1 ZINC000599103967 398921570 /nfs/dbraw/zinc/92/15/70/398921570.db2.gz XZSOGGQMIMVWNZ-ZDUSSCGKSA-N 1 2 315.377 2.817 20 5 DFBDLO COC(=O)C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCCC1 ZINC000595347447 398925033 /nfs/dbraw/zinc/92/50/33/398925033.db2.gz PEPKGULDVHWKQD-UHFFFAOYSA-N 1 2 310.325 2.652 20 5 DFBDLO COC(=O)C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCCC1 ZINC000595347447 398925034 /nfs/dbraw/zinc/92/50/34/398925034.db2.gz PEPKGULDVHWKQD-UHFFFAOYSA-N 1 2 310.325 2.652 20 5 DFBDLO CC[C@@H](NC(=O)CCc1c[nH+]cn1C)c1cccc([N+](=O)[O-])c1 ZINC000189222891 200366683 /nfs/dbraw/zinc/36/66/83/200366683.db2.gz HCSBVZNWBMVSGF-OAHLLOKOSA-N 1 2 316.361 2.528 20 5 DFBDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595402770 398932646 /nfs/dbraw/zinc/93/26/46/398932646.db2.gz DJBHSOHFGNMLTR-NSHDSACASA-N 1 2 305.338 2.568 20 5 DFBDLO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595402770 398932647 /nfs/dbraw/zinc/93/26/47/398932647.db2.gz DJBHSOHFGNMLTR-NSHDSACASA-N 1 2 305.338 2.568 20 5 DFBDLO COc1ccc(C2([NH2+]Cc3onc(C)c3[N+](=O)[O-])CC2)cc1 ZINC000595415452 398934198 /nfs/dbraw/zinc/93/41/98/398934198.db2.gz ATLZDDVFWSFEOH-UHFFFAOYSA-N 1 2 303.318 2.679 20 5 DFBDLO C[C@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000595469789 398945223 /nfs/dbraw/zinc/94/52/23/398945223.db2.gz YLVZQBKBMRFAIH-LBPRGKRZSA-N 1 2 324.352 2.504 20 5 DFBDLO C[C@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000595469789 398945227 /nfs/dbraw/zinc/94/52/27/398945227.db2.gz YLVZQBKBMRFAIH-LBPRGKRZSA-N 1 2 324.352 2.504 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cnc(C2CC2)o1 ZINC000600132169 398961464 /nfs/dbraw/zinc/96/14/64/398961464.db2.gz IQKHDGQKNWPQFK-UHFFFAOYSA-N 1 2 303.318 2.759 20 5 DFBDLO CCCCOC[C@@H](O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000193373541 201040575 /nfs/dbraw/zinc/04/05/75/201040575.db2.gz ODFPVUJWMQUXFP-HNNXBMFYSA-N 1 2 319.361 2.636 20 5 DFBDLO Cc1noc(C[N@H+]2C[C@H](C)OC3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000595561715 398973087 /nfs/dbraw/zinc/97/30/87/398973087.db2.gz LLCKLLAFALRLRK-NSHDSACASA-N 1 2 309.366 2.815 20 5 DFBDLO Cc1noc(C[N@@H+]2C[C@H](C)OC3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000595561715 398973092 /nfs/dbraw/zinc/97/30/92/398973092.db2.gz LLCKLLAFALRLRK-NSHDSACASA-N 1 2 309.366 2.815 20 5 DFBDLO COc1ccccc1C1([NH2+]Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595563683 398973183 /nfs/dbraw/zinc/97/31/83/398973183.db2.gz UDCLJPYPXPGVPL-UHFFFAOYSA-N 1 2 303.318 2.679 20 5 DFBDLO O=[N+]([O-])c1cnc(NCC[N@@H+]2CCc3sccc3C2)s1 ZINC000195510548 201396646 /nfs/dbraw/zinc/39/66/46/201396646.db2.gz JKICVJHBRUTXST-UHFFFAOYSA-N 1 2 310.404 2.583 20 5 DFBDLO O=[N+]([O-])c1cnc(NCC[N@H+]2CCc3sccc3C2)s1 ZINC000195510548 201396650 /nfs/dbraw/zinc/39/66/50/201396650.db2.gz JKICVJHBRUTXST-UHFFFAOYSA-N 1 2 310.404 2.583 20 5 DFBDLO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H](CCO)c3ccco3)nc2c1 ZINC000613584675 399030940 /nfs/dbraw/zinc/03/09/40/399030940.db2.gz YIGZZLAOESGDJH-NSHDSACASA-N 1 2 317.301 2.542 20 5 DFBDLO Cc1cc(NC[C@@H]2CCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000057824814 399064581 /nfs/dbraw/zinc/06/45/81/399064581.db2.gz XGVACWBFCQCIFX-AWEZNQCLSA-N 1 2 314.345 2.951 20 5 DFBDLO COC(=O)C1C[C@@H](C)[NH+](Cc2csc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000599707507 399072683 /nfs/dbraw/zinc/07/26/83/399072683.db2.gz NAJBDQFKVXZOCS-NXEZZACHSA-N 1 2 312.391 2.818 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)cs1 ZINC000340196267 284158678 /nfs/dbraw/zinc/15/86/78/284158678.db2.gz BFTBVIDNRHFBKJ-MWLCHTKSSA-N 1 2 324.324 2.934 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](O)C(F)(F)F)cs1 ZINC000340196267 284158680 /nfs/dbraw/zinc/15/86/80/284158680.db2.gz BFTBVIDNRHFBKJ-MWLCHTKSSA-N 1 2 324.324 2.934 20 5 DFBDLO Cn1cnnc1[C@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093809695 193310304 /nfs/dbraw/zinc/31/03/04/193310304.db2.gz ATUPJMCXTZVWIF-NFBGWVBBSA-N 1 2 313.361 2.574 20 5 DFBDLO Cn1cnnc1[C@H]1CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093809695 193310306 /nfs/dbraw/zinc/31/03/06/193310306.db2.gz ATUPJMCXTZVWIF-NFBGWVBBSA-N 1 2 313.361 2.574 20 5 DFBDLO Cn1ccnc1[C@H]([NH2+][C@@H]1CCC[C@@H]1F)c1ccc([N+](=O)[O-])cc1 ZINC000340521894 284186740 /nfs/dbraw/zinc/18/67/40/284186740.db2.gz GPXKMAUINLYESC-RRFJBIMHSA-N 1 2 318.352 2.898 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1CNc1cc[nH+]c(C2CC2)n1 ZINC000264701706 204088147 /nfs/dbraw/zinc/08/81/47/204088147.db2.gz QILHHPRFOXDFAL-UHFFFAOYSA-N 1 2 300.318 2.883 20 5 DFBDLO Cc1cc(N2CC[NH+](Cc3cccnc3)CC2)c([N+](=O)[O-])s1 ZINC000596064924 399160227 /nfs/dbraw/zinc/16/02/27/399160227.db2.gz KENNWOCBJQZKPR-UHFFFAOYSA-N 1 2 318.402 2.682 20 5 DFBDLO COc1ccc(N[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)[nH+]c1 ZINC000618574329 399164842 /nfs/dbraw/zinc/16/48/42/399164842.db2.gz XJGKDOFWFXGROE-STQMWFEESA-N 1 2 317.349 2.791 20 5 DFBDLO COc1cc(N2CC[NH+](C3CC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596093102 399170692 /nfs/dbraw/zinc/17/06/92/399170692.db2.gz QTCSTQRFLUSYJN-UHFFFAOYSA-N 1 2 311.769 2.541 20 5 DFBDLO CC(C)(C)n1ncnc1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000282577502 217101563 /nfs/dbraw/zinc/10/15/63/217101563.db2.gz FVOVGVPYQRQXRN-UHFFFAOYSA-N 1 2 323.784 2.885 20 5 DFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1nnc2ccccn21 ZINC000081007787 399201771 /nfs/dbraw/zinc/20/17/71/399201771.db2.gz UAJMXYCSTXVEGV-LBPRGKRZSA-N 1 2 311.345 2.831 20 5 DFBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1nnc2ccccn21 ZINC000081007787 399201774 /nfs/dbraw/zinc/20/17/74/399201774.db2.gz UAJMXYCSTXVEGV-LBPRGKRZSA-N 1 2 311.345 2.831 20 5 DFBDLO O=[N+]([O-])c1cc(F)cnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000601100447 399227025 /nfs/dbraw/zinc/22/70/25/399227025.db2.gz CVVWGNKGMWTMLI-UHFFFAOYSA-N 1 2 322.365 2.513 20 5 DFBDLO O=[N+]([O-])c1cc(F)cnc1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000601103447 399227759 /nfs/dbraw/zinc/22/77/59/399227759.db2.gz XBGUYNRVZZYJPW-UHFFFAOYSA-N 1 2 317.324 2.736 20 5 DFBDLO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000023992319 182371434 /nfs/dbraw/zinc/37/14/34/182371434.db2.gz FFKWMRREHOUTAM-GFCCVEGCSA-N 1 2 317.345 2.955 20 5 DFBDLO Cc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000023992319 182371436 /nfs/dbraw/zinc/37/14/36/182371436.db2.gz FFKWMRREHOUTAM-GFCCVEGCSA-N 1 2 317.345 2.955 20 5 DFBDLO CC(C)(CNc1ncnc2sc([N+](=O)[O-])cc21)n1cc[nH+]c1 ZINC000601198032 399253387 /nfs/dbraw/zinc/25/33/87/399253387.db2.gz MNVFTOKUACZWKY-UHFFFAOYSA-N 1 2 318.362 2.643 20 5 DFBDLO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000378411379 296226571 /nfs/dbraw/zinc/22/65/71/296226571.db2.gz VFRKQJJRDIIZCR-GFCCVEGCSA-N 1 2 320.736 2.949 20 5 DFBDLO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609135219 399305331 /nfs/dbraw/zinc/30/53/31/399305331.db2.gz RYMOMVFUERPBAN-AWEZNQCLSA-N 1 2 315.333 2.660 20 5 DFBDLO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609135220 399305396 /nfs/dbraw/zinc/30/53/96/399305396.db2.gz RYMOMVFUERPBAN-CQSZACIVSA-N 1 2 315.333 2.660 20 5 DFBDLO CC[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000421588986 296268443 /nfs/dbraw/zinc/26/84/43/296268443.db2.gz IZGMQCJJMKNIMX-NSHDSACASA-N 1 2 302.334 2.556 20 5 DFBDLO CCC[N@H+](CC(=O)N(C)C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000042422088 183267682 /nfs/dbraw/zinc/26/76/82/183267682.db2.gz KREIFZMRNUAPPP-UHFFFAOYSA-N 1 2 313.785 2.548 20 5 DFBDLO CCC[N@@H+](CC(=O)N(C)C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000042422088 183267684 /nfs/dbraw/zinc/26/76/84/183267684.db2.gz KREIFZMRNUAPPP-UHFFFAOYSA-N 1 2 313.785 2.548 20 5 DFBDLO Cc1cnc(N2CCCC[C@H]2c2c[nH+]cn2C)c([N+](=O)[O-])c1 ZINC000610284226 399353879 /nfs/dbraw/zinc/35/38/79/399353879.db2.gz SBZPFALZGLQRHM-LBPRGKRZSA-N 1 2 301.350 2.763 20 5 DFBDLO Cc1cn2c([nH+]1)[C@H](CNc1ncc(C)cc1[N+](=O)[O-])CCC2 ZINC000611030547 399429288 /nfs/dbraw/zinc/42/92/88/399429288.db2.gz NGNSBSPQDMFSNJ-LBPRGKRZSA-N 1 2 301.350 2.793 20 5 DFBDLO C[C@@H]1c2c(F)cccc2CC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602466587 399452154 /nfs/dbraw/zinc/45/21/54/399452154.db2.gz BFQQMAZLVQRVRN-SNVBAGLBSA-N 1 2 304.325 2.587 20 5 DFBDLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602466587 399452156 /nfs/dbraw/zinc/45/21/56/399452156.db2.gz BFQQMAZLVQRVRN-SNVBAGLBSA-N 1 2 304.325 2.587 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000611266592 399453322 /nfs/dbraw/zinc/45/33/22/399453322.db2.gz KJVGORRKMRYTAL-UHFFFAOYSA-N 1 2 314.341 2.607 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCc2ccc(O)cc2CC1 ZINC000611266592 399453325 /nfs/dbraw/zinc/45/33/25/399453325.db2.gz KJVGORRKMRYTAL-UHFFFAOYSA-N 1 2 314.341 2.607 20 5 DFBDLO O=[N+]([O-])c1ccsc1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000611411698 399472248 /nfs/dbraw/zinc/47/22/48/399472248.db2.gz SHXBBFLXYMIHMU-UHFFFAOYSA-N 1 2 320.374 2.500 20 5 DFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611502206 399483289 /nfs/dbraw/zinc/48/32/89/399483289.db2.gz PHKILPOQTPCXKQ-JTNHKYCSSA-N 1 2 309.341 2.602 20 5 DFBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611502206 399483291 /nfs/dbraw/zinc/48/32/91/399483291.db2.gz PHKILPOQTPCXKQ-JTNHKYCSSA-N 1 2 309.341 2.602 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611609672 399498610 /nfs/dbraw/zinc/49/86/10/399498610.db2.gz ZVPAOXBOIUUDHY-NSHDSACASA-N 1 2 302.277 2.504 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611609672 399498612 /nfs/dbraw/zinc/49/86/12/399498612.db2.gz ZVPAOXBOIUUDHY-NSHDSACASA-N 1 2 302.277 2.504 20 5 DFBDLO COc1cc(N(C)Cc2ccc(N(C)C)[nH+]c2)ccc1[N+](=O)[O-] ZINC000301863666 532953338 /nfs/dbraw/zinc/95/33/38/532953338.db2.gz UNSOTARCZXHNRG-UHFFFAOYSA-N 1 2 316.361 2.701 20 5 DFBDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000492302214 299558959 /nfs/dbraw/zinc/55/89/59/299558959.db2.gz XVCYDQWPOGCNJK-WAYWQWQTSA-N 1 2 304.281 2.602 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c(F)c1 ZINC000267008268 285112830 /nfs/dbraw/zinc/11/28/30/285112830.db2.gz GPGWAWCQJFZHFD-NWDGAFQWSA-N 1 2 322.258 2.622 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c(F)c1 ZINC000267008268 285112835 /nfs/dbraw/zinc/11/28/35/285112835.db2.gz GPGWAWCQJFZHFD-NWDGAFQWSA-N 1 2 322.258 2.622 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000611983889 399553998 /nfs/dbraw/zinc/55/39/98/399553998.db2.gz SZCDDGMNJDWBIK-CQSZACIVSA-N 1 2 313.357 2.760 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000611983889 399554003 /nfs/dbraw/zinc/55/40/03/399554003.db2.gz SZCDDGMNJDWBIK-CQSZACIVSA-N 1 2 313.357 2.760 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000611983888 399554264 /nfs/dbraw/zinc/55/42/64/399554264.db2.gz SZCDDGMNJDWBIK-AWEZNQCLSA-N 1 2 313.357 2.760 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000611983888 399554267 /nfs/dbraw/zinc/55/42/67/399554267.db2.gz SZCDDGMNJDWBIK-AWEZNQCLSA-N 1 2 313.357 2.760 20 5 DFBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(CC2CC2)no1 ZINC000602827002 399591625 /nfs/dbraw/zinc/59/16/25/399591625.db2.gz CANIZCAKXNXRGN-UHFFFAOYSA-N 1 2 316.361 2.605 20 5 DFBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1nc(CC2CC2)no1 ZINC000602827002 399591631 /nfs/dbraw/zinc/59/16/31/399591631.db2.gz CANIZCAKXNXRGN-UHFFFAOYSA-N 1 2 316.361 2.605 20 5 DFBDLO Cn1cc(C2=CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)cn1 ZINC000602888817 399617587 /nfs/dbraw/zinc/61/75/87/399617587.db2.gz SDSSLSVRHFKVGL-UHFFFAOYSA-N 1 2 316.336 2.757 20 5 DFBDLO Cn1cc(C2=CCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)cn1 ZINC000602888817 399617588 /nfs/dbraw/zinc/61/75/88/399617588.db2.gz SDSSLSVRHFKVGL-UHFFFAOYSA-N 1 2 316.336 2.757 20 5 DFBDLO CC[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H](C)[S@]1=O ZINC000289966212 221347271 /nfs/dbraw/zinc/34/72/71/221347271.db2.gz ZGMOLQRICSNZFR-UGGSIMGOSA-N 1 2 322.430 2.839 20 5 DFBDLO CC[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H](C)[S@]1=O ZINC000289966212 221347273 /nfs/dbraw/zinc/34/72/73/221347273.db2.gz ZGMOLQRICSNZFR-UGGSIMGOSA-N 1 2 322.430 2.839 20 5 DFBDLO Cc1cnn([C@@H]2CC[N@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)c1 ZINC000290024964 221386020 /nfs/dbraw/zinc/38/60/20/221386020.db2.gz VIZAUGDBLSEHEO-LLVKDONJSA-N 1 2 322.315 2.825 20 5 DFBDLO Cc1cnn([C@@H]2CC[N@@H+](Cc3c(F)cc([N+](=O)[O-])cc3F)C2)c1 ZINC000290024964 221386022 /nfs/dbraw/zinc/38/60/22/221386022.db2.gz VIZAUGDBLSEHEO-LLVKDONJSA-N 1 2 322.315 2.825 20 5 DFBDLO COC(=O)C12CCC(CC1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1C ZINC000602984315 399649991 /nfs/dbraw/zinc/64/99/91/399649991.db2.gz HPNOXRVRXYLAOZ-UHFFFAOYSA-N 1 2 304.346 2.573 20 5 DFBDLO COC(=O)C12CCC(CC1)[N@H+]2Cc1cccc([N+](=O)[O-])c1C ZINC000602984315 399649994 /nfs/dbraw/zinc/64/99/94/399649994.db2.gz HPNOXRVRXYLAOZ-UHFFFAOYSA-N 1 2 304.346 2.573 20 5 DFBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc([N+](=O)[O-])o1 ZINC000072012271 184921013 /nfs/dbraw/zinc/92/10/13/184921013.db2.gz YKTABWQHGFWFQN-UHFFFAOYSA-N 1 2 316.248 2.765 20 5 DFBDLO COc1ccc(C[N@@H+]2CCC[C@H]2c2cc[nH]n2)cc1[N+](=O)[O-] ZINC000348158724 285388626 /nfs/dbraw/zinc/38/86/26/285388626.db2.gz LVUFOUPHMSXYKM-ZDUSSCGKSA-N 1 2 302.334 2.664 20 5 DFBDLO COc1ccc(C[N@H+]2CCC[C@H]2c2cc[nH]n2)cc1[N+](=O)[O-] ZINC000348158724 285388628 /nfs/dbraw/zinc/38/86/28/285388628.db2.gz LVUFOUPHMSXYKM-ZDUSSCGKSA-N 1 2 302.334 2.664 20 5 DFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@H](C)C1 ZINC000299645772 533315150 /nfs/dbraw/zinc/31/51/50/533315150.db2.gz NNOXNLBWBPYMJC-UWVGGRQHSA-N 1 2 311.769 2.917 20 5 DFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@H](C)C1 ZINC000299645772 533315155 /nfs/dbraw/zinc/31/51/55/533315155.db2.gz NNOXNLBWBPYMJC-UWVGGRQHSA-N 1 2 311.769 2.917 20 5 DFBDLO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)C(F)F ZINC000603428287 399774196 /nfs/dbraw/zinc/77/41/96/399774196.db2.gz GPGBDDCRNSXBID-BDAKNGLRSA-N 1 2 301.293 2.555 20 5 DFBDLO C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000604396377 399844963 /nfs/dbraw/zinc/84/49/63/399844963.db2.gz YTTZAGWGZONBDK-NSHDSACASA-N 1 2 314.345 2.556 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CCCn1cc[nH+]c1 ZINC000604527989 399852513 /nfs/dbraw/zinc/85/25/13/399852513.db2.gz NBYQABBMENHZHM-UHFFFAOYSA-N 1 2 302.334 2.827 20 5 DFBDLO CCn1c[nH+]cc1[C@H]1CCCCN1c1ccc([N+](=O)[O-])cn1 ZINC000604556331 399855757 /nfs/dbraw/zinc/85/57/57/399855757.db2.gz OSXUZZWGNYSJRV-CYBMUJFWSA-N 1 2 301.350 2.938 20 5 DFBDLO CCc1ccc(-c2nc(Cc3c[nH+]cn3C)no2)cc1[N+](=O)[O-] ZINC000357942845 148185480 /nfs/dbraw/zinc/18/54/80/148185480.db2.gz GAHYCZXIWHDWOH-UHFFFAOYSA-N 1 2 313.317 2.532 20 5 DFBDLO Cn1cc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(C(F)F)n1 ZINC000361182178 149048988 /nfs/dbraw/zinc/04/89/88/149048988.db2.gz WWZLXZIWNLYCPH-UHFFFAOYSA-N 1 2 322.315 2.824 20 5 DFBDLO Cn1cc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(C(F)F)n1 ZINC000361182178 149048991 /nfs/dbraw/zinc/04/89/91/149048991.db2.gz WWZLXZIWNLYCPH-UHFFFAOYSA-N 1 2 322.315 2.824 20 5 DFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000361424877 149112612 /nfs/dbraw/zinc/11/26/12/149112612.db2.gz APZZZKUWYFXINY-VIFPVBQESA-N 1 2 320.723 2.698 20 5 DFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000361424877 149112614 /nfs/dbraw/zinc/11/26/14/149112614.db2.gz APZZZKUWYFXINY-VIFPVBQESA-N 1 2 320.723 2.698 20 5 DFBDLO CC(C)OC[C@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000372166618 150143919 /nfs/dbraw/zinc/14/39/19/150143919.db2.gz JLXYPDORWBGRQG-CZUORRHYSA-N 1 2 308.378 2.782 20 5 DFBDLO CC(C)OC[C@H]1C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000372166618 150143920 /nfs/dbraw/zinc/14/39/20/150143920.db2.gz JLXYPDORWBGRQG-CZUORRHYSA-N 1 2 308.378 2.782 20 5 DFBDLO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000351608911 286168057 /nfs/dbraw/zinc/16/80/57/286168057.db2.gz JDQMYXDOQCWBLY-GFCCVEGCSA-N 1 2 319.296 2.826 20 5 DFBDLO COc1cc[nH+]cc1NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351747086 286208704 /nfs/dbraw/zinc/20/87/04/286208704.db2.gz AWJBYVLHYUQDMO-UHFFFAOYSA-N 1 2 306.253 2.782 20 5 DFBDLO CC(C)c1ccc(C[NH2+][C@H](C)c2ncnn2C)cc1[N+](=O)[O-] ZINC000353188145 286574467 /nfs/dbraw/zinc/57/44/67/286574467.db2.gz CCAPTUQPAHFYAS-LLVKDONJSA-N 1 2 303.366 2.698 20 5 DFBDLO Cc1ccc2nc(C[NH2+]Cc3csc([N+](=O)[O-])c3)cn2c1 ZINC000356913483 158321866 /nfs/dbraw/zinc/32/18/66/158321866.db2.gz HCOOAVBFBQWRPX-UHFFFAOYSA-N 1 2 302.359 2.902 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000430193969 296776693 /nfs/dbraw/zinc/77/66/93/296776693.db2.gz HPPQPHGKBLMMDU-UHFFFAOYSA-N 1 2 308.378 2.993 20 5 DFBDLO C[C@@H]1C[C@@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000493720610 299816498 /nfs/dbraw/zinc/81/64/98/299816498.db2.gz JWOUWFNLCUQFEW-VYBLIETJSA-N 1 2 312.329 2.627 20 5 DFBDLO COCCN(C)c1ccc(/C=C/c2ccnc([N+](=O)[O-])c2)c[nH+]1 ZINC000295785127 225232948 /nfs/dbraw/zinc/23/29/48/225232948.db2.gz CVIKVHGAUVZLKL-ONEGZZNKSA-N 1 2 314.345 2.638 20 5 DFBDLO CCOc1nnc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000296825957 226544876 /nfs/dbraw/zinc/54/48/76/226544876.db2.gz WAQCVUBQRZOIOL-VIFPVBQESA-N 1 2 308.363 2.696 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c(Cl)c1 ZINC000291245151 222253957 /nfs/dbraw/zinc/25/39/57/222253957.db2.gz LMBSQTKOQYTAPC-JTQLQIEISA-N 1 2 320.723 2.698 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)c(Cl)c1 ZINC000291245151 222253959 /nfs/dbraw/zinc/25/39/59/222253959.db2.gz LMBSQTKOQYTAPC-JTQLQIEISA-N 1 2 320.723 2.698 20 5 DFBDLO Cc1ncsc1C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000297432614 227157244 /nfs/dbraw/zinc/15/72/44/227157244.db2.gz OQZNFFYUGFLXMN-UHFFFAOYSA-N 1 2 305.359 2.623 20 5 DFBDLO Cc1cccn2cc(CNc3cc(CO)ccc3[N+](=O)[O-])[nH+]c12 ZINC000302057217 230069870 /nfs/dbraw/zinc/06/98/70/230069870.db2.gz QXPWBQXTPNVCFQ-UHFFFAOYSA-N 1 2 312.329 2.655 20 5 DFBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@H](C)[NH+]1CCOCC1 ZINC000302663993 230336723 /nfs/dbraw/zinc/33/67/23/230336723.db2.gz IXOIJTCEPNKJKQ-NSHDSACASA-N 1 2 313.785 2.689 20 5 DFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)Cc1[nH+]ccn1C ZINC000124643551 425930934 /nfs/dbraw/zinc/93/09/34/425930934.db2.gz PHPLFSXBPDQDNJ-UHFFFAOYSA-N 1 2 318.377 2.748 20 5 DFBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000008120511 267376951 /nfs/dbraw/zinc/37/69/51/267376951.db2.gz GOQUAPNGKJQBCH-UHFFFAOYSA-N 1 2 317.320 2.804 20 5 DFBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000008120511 267376954 /nfs/dbraw/zinc/37/69/54/267376954.db2.gz GOQUAPNGKJQBCH-UHFFFAOYSA-N 1 2 317.320 2.804 20 5 DFBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1F ZINC000007911413 425655002 /nfs/dbraw/zinc/65/50/02/425655002.db2.gz WPNFHYRIWRLGMG-UHFFFAOYSA-N 1 2 317.320 2.804 20 5 DFBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1F ZINC000007911413 425655005 /nfs/dbraw/zinc/65/50/05/425655005.db2.gz WPNFHYRIWRLGMG-UHFFFAOYSA-N 1 2 317.320 2.804 20 5 DFBDLO O=[N+]([O-])c1cnc(NCc2cccc(Cn3cc[nH+]c3)c2)s1 ZINC000195508073 268135948 /nfs/dbraw/zinc/13/59/48/268135948.db2.gz DIAGKFZOXRYGMU-UHFFFAOYSA-N 1 2 315.358 2.908 20 5 DFBDLO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000271001386 268247366 /nfs/dbraw/zinc/24/73/66/268247366.db2.gz KZBOSHXGFOMEII-DGCLKSJQSA-N 1 2 324.377 2.611 20 5 DFBDLO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000271001386 268247368 /nfs/dbraw/zinc/24/73/68/268247368.db2.gz KZBOSHXGFOMEII-DGCLKSJQSA-N 1 2 324.377 2.611 20 5 DFBDLO CC[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000317429261 268344989 /nfs/dbraw/zinc/34/49/89/268344989.db2.gz WCOXHURISUZWTR-KTRBRXNASA-N 1 2 300.318 2.599 20 5 DFBDLO Cc1c([C@H](C)[NH2+][C@H](C(N)=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000126055410 426002912 /nfs/dbraw/zinc/00/29/12/426002912.db2.gz WXJZJLWENXZGON-LRDDRELGSA-N 1 2 313.357 2.780 20 5 DFBDLO C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000125005280 425949403 /nfs/dbraw/zinc/94/94/03/425949403.db2.gz OIXBFJKMTAEQQS-IUODEOHRSA-N 1 2 314.345 2.515 20 5 DFBDLO C[C@H]([NH2+][C@@H](C)c1nccs1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000106241844 425971291 /nfs/dbraw/zinc/97/12/91/425971291.db2.gz RRLOWRUKEQXANW-UWVGGRQHSA-N 1 2 320.374 2.729 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cnc3ccccn13)CC2 ZINC000162013328 426049608 /nfs/dbraw/zinc/04/96/08/426049608.db2.gz CUXHECHHFPFRAH-UHFFFAOYSA-N 1 2 308.341 2.801 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cnc3ccccn13)CC2 ZINC000162013328 426049609 /nfs/dbraw/zinc/04/96/09/426049609.db2.gz CUXHECHHFPFRAH-UHFFFAOYSA-N 1 2 308.341 2.801 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)CN(Cc1c[nH+]c3ccccn13)CC2 ZINC000162013328 426049611 /nfs/dbraw/zinc/04/96/11/426049611.db2.gz CUXHECHHFPFRAH-UHFFFAOYSA-N 1 2 308.341 2.801 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCn2ncnc21 ZINC000164718957 426116804 /nfs/dbraw/zinc/11/68/04/426116804.db2.gz OHQWIOMBLDMXFQ-BXUZGUMPSA-N 1 2 301.350 2.680 20 5 DFBDLO C[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000127673143 426079086 /nfs/dbraw/zinc/07/90/86/426079086.db2.gz JJWKKAYONIYRKC-GFCCVEGCSA-N 1 2 314.345 2.621 20 5 DFBDLO C[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000127673143 426079089 /nfs/dbraw/zinc/07/90/89/426079089.db2.gz JJWKKAYONIYRKC-GFCCVEGCSA-N 1 2 314.345 2.621 20 5 DFBDLO COc1ccc2c(c1)OCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000338631093 268711570 /nfs/dbraw/zinc/71/15/70/268711570.db2.gz DDXVFSKDSROWPN-UHFFFAOYSA-N 1 2 314.341 2.998 20 5 DFBDLO COc1ccc2c(c1)OCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000338631093 268711572 /nfs/dbraw/zinc/71/15/72/268711572.db2.gz DDXVFSKDSROWPN-UHFFFAOYSA-N 1 2 314.341 2.998 20 5 DFBDLO Cc1ccc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000152345239 426339705 /nfs/dbraw/zinc/33/97/05/426339705.db2.gz XWUAIMAGFQINNB-UHFFFAOYSA-N 1 2 314.345 2.971 20 5 DFBDLO C[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)CO1 ZINC000089883102 426315742 /nfs/dbraw/zinc/31/57/42/426315742.db2.gz DYZRJPGJURUBNK-VXGBXAGGSA-N 1 2 317.345 2.859 20 5 DFBDLO C[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)CO1 ZINC000089883102 426315743 /nfs/dbraw/zinc/31/57/43/426315743.db2.gz DYZRJPGJURUBNK-VXGBXAGGSA-N 1 2 317.345 2.859 20 5 DFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000089154578 426281021 /nfs/dbraw/zinc/28/10/21/426281021.db2.gz IMUATLWGEQKBKU-KCXAZCMYSA-N 1 2 306.362 2.536 20 5 DFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000089154578 426281023 /nfs/dbraw/zinc/28/10/23/426281023.db2.gz IMUATLWGEQKBKU-KCXAZCMYSA-N 1 2 306.362 2.536 20 5 DFBDLO O=[N+]([O-])c1ccn(CC[NH+](Cc2ccco2)Cc2ccco2)n1 ZINC000176198001 426360226 /nfs/dbraw/zinc/36/02/26/426360226.db2.gz KZWZTDCXLDPKHU-UHFFFAOYSA-N 1 2 316.317 2.680 20 5 DFBDLO O=[N+]([O-])c1cc(C[NH+]2CCSCC2)ccc1Br ZINC000122989348 426408302 /nfs/dbraw/zinc/40/83/02/426408302.db2.gz HJYFLJWWECRODX-UHFFFAOYSA-N 1 2 317.208 2.906 20 5 DFBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCS[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000264154578 426506697 /nfs/dbraw/zinc/50/66/97/426506697.db2.gz ULTIWGTZEWNSEA-JQWIXIFHSA-N 1 2 323.418 2.668 20 5 DFBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2CCS[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000264154578 426506701 /nfs/dbraw/zinc/50/67/01/426506701.db2.gz ULTIWGTZEWNSEA-JQWIXIFHSA-N 1 2 323.418 2.668 20 5 DFBDLO O=C(NCCCCNc1cccc[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000264207824 426516418 /nfs/dbraw/zinc/51/64/18/426516418.db2.gz VEVUXNLAKPUBAO-UHFFFAOYSA-N 1 2 314.345 2.612 20 5 DFBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000288290754 426517459 /nfs/dbraw/zinc/51/74/59/426517459.db2.gz BQURXBMNQCRUSI-NSHDSACASA-N 1 2 304.354 2.574 20 5 DFBDLO CCn1c(C)nc([N+](=O)[O-])c1Nc1ccc2c(c1)[nH+]cn2C ZINC000288938924 426554625 /nfs/dbraw/zinc/55/46/25/426554625.db2.gz RGSHVZBAYLOSPS-UHFFFAOYSA-N 1 2 300.322 2.750 20 5 DFBDLO CCn1c(C)nc([N+](=O)[O-])c1NCCCCNc1cccc[nH+]1 ZINC000288912662 426550606 /nfs/dbraw/zinc/55/06/06/426550606.db2.gz OVLUFBJCASPXDH-UHFFFAOYSA-N 1 2 318.381 2.819 20 5 DFBDLO COC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccco1 ZINC000177572202 426496522 /nfs/dbraw/zinc/49/65/22/426496522.db2.gz ABOLUDLNLKCFOL-GFCCVEGCSA-N 1 2 306.318 2.674 20 5 DFBDLO O=[N+]([O-])c1ccccc1CN[C@@H](c1[nH]cc[nH+]1)c1cccnc1 ZINC000195065509 426500203 /nfs/dbraw/zinc/50/02/03/426500203.db2.gz AGKUSAORTXVWKN-OAHLLOKOSA-N 1 2 309.329 2.592 20 5 DFBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000280569644 426602700 /nfs/dbraw/zinc/60/27/00/426602700.db2.gz LPZKDSFJKXIZGC-BMIGLBTASA-N 1 2 321.333 2.502 20 5 DFBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H](C2CC2)O1 ZINC000280569644 426602706 /nfs/dbraw/zinc/60/27/06/426602706.db2.gz LPZKDSFJKXIZGC-BMIGLBTASA-N 1 2 321.333 2.502 20 5 DFBDLO O=C(/C=C/c1ccccc1[N+](=O)[O-])NCc1ccn2cc[nH+]c2c1 ZINC000178055805 426563062 /nfs/dbraw/zinc/56/30/62/426563062.db2.gz NQLHPYZRMFULPA-AATRIKPKSA-N 1 2 322.324 2.572 20 5 DFBDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000280769165 426654082 /nfs/dbraw/zinc/65/40/82/426654082.db2.gz FZQLKZXVDPXYNS-LLVKDONJSA-N 1 2 318.329 2.848 20 5 DFBDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000280769165 426654087 /nfs/dbraw/zinc/65/40/87/426654087.db2.gz FZQLKZXVDPXYNS-LLVKDONJSA-N 1 2 318.329 2.848 20 5 DFBDLO Cc1ccc([C@H](C)[NH2+][C@H](C(N)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000178690826 426677435 /nfs/dbraw/zinc/67/74/35/426677435.db2.gz VJQBGMBPDBUQAY-LRDDRELGSA-N 1 2 313.357 2.780 20 5 DFBDLO CC[N@H+](CCCNc1ncc([N+](=O)[O-])cn1)c1ccccc1 ZINC000273575828 426687870 /nfs/dbraw/zinc/68/78/70/426687870.db2.gz DZLGNWATFWXAJM-UHFFFAOYSA-N 1 2 301.350 2.713 20 5 DFBDLO CC[N@@H+](CCCNc1ncc([N+](=O)[O-])cn1)c1ccccc1 ZINC000273575828 426687877 /nfs/dbraw/zinc/68/78/77/426687877.db2.gz DZLGNWATFWXAJM-UHFFFAOYSA-N 1 2 301.350 2.713 20 5 DFBDLO O=[N+]([O-])c1cc(Cl)cnc1NCc1ccn2cc[nH+]c2c1 ZINC000178839459 426705832 /nfs/dbraw/zinc/70/58/32/426705832.db2.gz QJWGBVGALFJTLS-UHFFFAOYSA-N 1 2 303.709 2.903 20 5 DFBDLO Cc1cc(C[NH+]2CCN(c3ccc(C)cc3[N+](=O)[O-])CC2)on1 ZINC000266968671 426806918 /nfs/dbraw/zinc/80/69/18/426806918.db2.gz KQNQVYMXEYZJKU-UHFFFAOYSA-N 1 2 316.361 2.522 20 5 DFBDLO CC[C@@H](NC(=O)CCc1c[nH+]c[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000189480470 426864854 /nfs/dbraw/zinc/86/48/54/426864854.db2.gz AZRBYLXTROLYPZ-CQSZACIVSA-N 1 2 302.334 2.518 20 5 DFBDLO CC[C@@H](NC(=O)CCc1c[nH]c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000189480470 426864862 /nfs/dbraw/zinc/86/48/62/426864862.db2.gz AZRBYLXTROLYPZ-CQSZACIVSA-N 1 2 302.334 2.518 20 5 DFBDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000247067204 426899039 /nfs/dbraw/zinc/89/90/39/426899039.db2.gz VPWSLGFGUYLNTC-XFBWCDHKSA-N 1 2 324.352 2.502 20 5 DFBDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000247067204 426899044 /nfs/dbraw/zinc/89/90/44/426899044.db2.gz VPWSLGFGUYLNTC-XFBWCDHKSA-N 1 2 324.352 2.502 20 5 DFBDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000248896449 427060188 /nfs/dbraw/zinc/06/01/88/427060188.db2.gz ZXZIIZNISWGHPE-LZWOXQAQSA-N 1 2 318.373 2.677 20 5 DFBDLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000248896449 427060192 /nfs/dbraw/zinc/06/01/92/427060192.db2.gz ZXZIIZNISWGHPE-LZWOXQAQSA-N 1 2 318.373 2.677 20 5 DFBDLO C[C@]1(F)CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000295563845 427009214 /nfs/dbraw/zinc/00/92/14/427009214.db2.gz YDKKJZOJOOWDMI-HNNXBMFYSA-N 1 2 320.324 2.969 20 5 DFBDLO C[C@]1(F)CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000295563845 427009219 /nfs/dbraw/zinc/00/92/19/427009219.db2.gz YDKKJZOJOOWDMI-HNNXBMFYSA-N 1 2 320.324 2.969 20 5 DFBDLO O=[N+]([O-])c1cc(Cl)ccc1SCC[NH+]1CCOCC1 ZINC000276244172 427016584 /nfs/dbraw/zinc/01/65/84/427016584.db2.gz PWIDQNHNBJPHCR-UHFFFAOYSA-N 1 2 302.783 2.673 20 5 DFBDLO CC(C)(C)n1ncnc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292045348 427069436 /nfs/dbraw/zinc/06/94/36/427069436.db2.gz AXYBALMFEITKAF-UHFFFAOYSA-N 1 2 317.393 2.966 20 5 DFBDLO Cn1c(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])nnc1C1CC1 ZINC000292075373 427080854 /nfs/dbraw/zinc/08/08/54/427080854.db2.gz FBGXFDFGXDNUMT-UHFFFAOYSA-N 1 2 315.377 2.626 20 5 DFBDLO CCN(CC(F)F)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000182516547 427091187 /nfs/dbraw/zinc/09/11/87/427091187.db2.gz HFFPGCSKAJHTNY-UHFFFAOYSA-N 1 2 324.287 2.508 20 5 DFBDLO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2ncnn2C)cc1[N+](=O)[O-] ZINC000276549913 427097656 /nfs/dbraw/zinc/09/76/56/427097656.db2.gz FCDXHDMLPBSZTD-WDEREUQCSA-N 1 2 319.365 2.534 20 5 DFBDLO CC(C)=CC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000276800663 427122963 /nfs/dbraw/zinc/12/29/63/427122963.db2.gz VSZJEXIWDNMEPR-HNNXBMFYSA-N 1 2 300.362 2.974 20 5 DFBDLO CC(C)[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000284183613 427151854 /nfs/dbraw/zinc/15/18/54/427151854.db2.gz VYHYJVUNWCUTTA-LBPRGKRZSA-N 1 2 303.322 2.837 20 5 DFBDLO Cn1ccnc1[C@@H]([NH2+]C1CC(F)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000277493454 427219011 /nfs/dbraw/zinc/21/90/11/427219011.db2.gz NMNMDLIIKCNBKG-ZDUSSCGKSA-N 1 2 322.315 2.805 20 5 DFBDLO C[C@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000269368404 427179641 /nfs/dbraw/zinc/17/96/41/427179641.db2.gz LHYQOQXYTFIPIA-GXFFZTMASA-N 1 2 321.768 2.927 20 5 DFBDLO CC[C@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000183229010 427230358 /nfs/dbraw/zinc/23/03/58/427230358.db2.gz FQKPNHOBWMWWIR-ZDUSSCGKSA-N 1 2 301.350 2.831 20 5 DFBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@@H]1CCCC[C@H]1O ZINC000285501263 427253367 /nfs/dbraw/zinc/25/33/67/427253367.db2.gz FBKCLAFZVHATTE-ZUZCIYMTSA-N 1 2 314.332 2.856 20 5 DFBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@@H]1CCCC[C@H]1O ZINC000285501263 427253374 /nfs/dbraw/zinc/25/33/74/427253374.db2.gz FBKCLAFZVHATTE-ZUZCIYMTSA-N 1 2 314.332 2.856 20 5 DFBDLO COc1ccc([N+](=O)[O-])c(N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000269893320 427299484 /nfs/dbraw/zinc/29/94/84/427299484.db2.gz XBWYTZMZJXLRQC-GFCCVEGCSA-N 1 2 314.345 2.689 20 5 DFBDLO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2nncn2C)cc1[N+](=O)[O-] ZINC000271019097 427372723 /nfs/dbraw/zinc/37/27/23/427372723.db2.gz AAMIZKAPNNKHQC-GHMZBOCLSA-N 1 2 319.365 2.534 20 5 DFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@H](O)C2)c1 ZINC000293632095 427387959 /nfs/dbraw/zinc/38/79/59/427387959.db2.gz WVNQQZWGSNVFOA-NSHDSACASA-N 1 2 304.268 2.570 20 5 DFBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@H](O)C2)c1 ZINC000293632095 427387964 /nfs/dbraw/zinc/38/79/64/427387964.db2.gz WVNQQZWGSNVFOA-NSHDSACASA-N 1 2 304.268 2.570 20 5 DFBDLO CCOc1cc(C[N@@H+]2CCOC[C@]2(C)CC)ccc1[N+](=O)[O-] ZINC000331149220 427356015 /nfs/dbraw/zinc/35/60/15/427356015.db2.gz HWFMKHKMALUZAU-INIZCTEOSA-N 1 2 308.378 2.994 20 5 DFBDLO CCOc1cc(C[N@H+]2CCOC[C@]2(C)CC)ccc1[N+](=O)[O-] ZINC000331149220 427356021 /nfs/dbraw/zinc/35/60/21/427356021.db2.gz HWFMKHKMALUZAU-INIZCTEOSA-N 1 2 308.378 2.994 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cs1 ZINC000277913266 427358247 /nfs/dbraw/zinc/35/82/47/427358247.db2.gz XMCAACJWYUMSGH-KOLCDFICSA-N 1 2 324.324 2.792 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cs1 ZINC000277913266 427358254 /nfs/dbraw/zinc/35/82/54/427358254.db2.gz XMCAACJWYUMSGH-KOLCDFICSA-N 1 2 324.324 2.792 20 5 DFBDLO CCOc1cc(C[N@@H+]2CCO[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000331192562 427367242 /nfs/dbraw/zinc/36/72/42/427367242.db2.gz WMPKUAXXUKIDQH-MRXNPFEDSA-N 1 2 308.378 2.850 20 5 DFBDLO CCOc1cc(C[N@H+]2CCO[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000331192562 427367247 /nfs/dbraw/zinc/36/72/47/427367247.db2.gz WMPKUAXXUKIDQH-MRXNPFEDSA-N 1 2 308.378 2.850 20 5 DFBDLO C[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)Cn1cc[nH+]c1 ZINC000286250624 427467728 /nfs/dbraw/zinc/46/77/28/427467728.db2.gz ITLDWZSHWQUDPH-VIFPVBQESA-N 1 2 318.362 2.544 20 5 DFBDLO CC(=O)c1cc(N(C)CCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000286318772 427491141 /nfs/dbraw/zinc/49/11/41/427491141.db2.gz UNXUXVZJDNDLFK-UHFFFAOYSA-N 1 2 302.334 2.520 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000332043134 427496664 /nfs/dbraw/zinc/49/66/64/427496664.db2.gz XWCCKAJFRIKGOZ-UHFFFAOYSA-N 1 2 300.362 2.622 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000332043134 427496669 /nfs/dbraw/zinc/49/66/69/427496669.db2.gz XWCCKAJFRIKGOZ-UHFFFAOYSA-N 1 2 300.362 2.622 20 5 DFBDLO C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332440362 427612566 /nfs/dbraw/zinc/61/25/66/427612566.db2.gz BTKWGCRLBPHCBD-DYVFJYSZSA-N 1 2 319.405 2.943 20 5 DFBDLO C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332440362 427612573 /nfs/dbraw/zinc/61/25/73/427612573.db2.gz BTKWGCRLBPHCBD-DYVFJYSZSA-N 1 2 319.405 2.943 20 5 DFBDLO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccccn1 ZINC000287505959 427627248 /nfs/dbraw/zinc/62/72/48/427627248.db2.gz UFQPLIOUCPGNGS-UHFFFAOYSA-N 1 2 301.346 2.638 20 5 DFBDLO COCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccccn1 ZINC000287505959 427627259 /nfs/dbraw/zinc/62/72/59/427627259.db2.gz UFQPLIOUCPGNGS-UHFFFAOYSA-N 1 2 301.346 2.638 20 5 DFBDLO COc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000279332217 427643730 /nfs/dbraw/zinc/64/37/30/427643730.db2.gz OWMCXYIRXBATSE-QLJPJBMISA-N 1 2 324.352 2.742 20 5 DFBDLO COc1cc(C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000279332217 427643737 /nfs/dbraw/zinc/64/37/37/427643737.db2.gz OWMCXYIRXBATSE-QLJPJBMISA-N 1 2 324.352 2.742 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000339053385 427652975 /nfs/dbraw/zinc/65/29/75/427652975.db2.gz DLFHWELWTUHISE-FVQBIDKESA-N 1 2 318.373 2.738 20 5 DFBDLO C[C@@H](C[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-])c1nccs1 ZINC000339082818 427667264 /nfs/dbraw/zinc/66/72/64/427667264.db2.gz IKOINQUAHDEOMR-JTQLQIEISA-N 1 2 307.375 2.992 20 5 DFBDLO C[C@@H](C[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-])c1nccs1 ZINC000339082818 427667269 /nfs/dbraw/zinc/66/72/69/427667269.db2.gz IKOINQUAHDEOMR-JTQLQIEISA-N 1 2 307.375 2.992 20 5 DFBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H](c3ccn[nH]3)C2)c1 ZINC000193863594 427721463 /nfs/dbraw/zinc/72/14/63/427721463.db2.gz OLVSANGKIAAOFY-ZDUSSCGKSA-N 1 2 316.361 2.576 20 5 DFBDLO CCC1(CC)[C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1OC ZINC000339127200 427689384 /nfs/dbraw/zinc/68/93/84/427689384.db2.gz YCDVDFYPRYOBDR-CABCVRRESA-N 1 2 308.378 2.984 20 5 DFBDLO COCC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC000339131070 427692935 /nfs/dbraw/zinc/69/29/35/427692935.db2.gz FYULOLZMPDVTIC-TZMCWYRMSA-N 1 2 308.378 2.937 20 5 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O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C/C=C/c1ccncc1)CCO2 ZINC000356522442 428216790 /nfs/dbraw/zinc/21/67/90/428216790.db2.gz IUPPZLPQEIJGQK-OWOJBTEDSA-N 1 2 311.341 2.898 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C/C=C/c1ccncc1)CCO2 ZINC000356522442 428216796 /nfs/dbraw/zinc/21/67/96/428216796.db2.gz IUPPZLPQEIJGQK-OWOJBTEDSA-N 1 2 311.341 2.898 20 5 DFBDLO Cc1ccc2[nH+]c(CNC(=O)c3ccc([N+](=O)[O-])s3)cn2c1 ZINC000342144639 428319977 /nfs/dbraw/zinc/31/99/77/428319977.db2.gz BMERWBWRYDMTMQ-UHFFFAOYSA-N 1 2 316.342 2.542 20 5 DFBDLO O=C1OCCC12CC[NH+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000371149984 428371564 /nfs/dbraw/zinc/37/15/64/428371564.db2.gz BWIQGHUAAFCBMS-UHFFFAOYSA-N 1 2 324.764 2.777 20 5 DFBDLO C[NH+](C)Cc1cccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])c1 ZINC000342910267 428484967 /nfs/dbraw/zinc/48/49/67/428484967.db2.gz HPYQWOTUSPUDHP-UHFFFAOYSA-N 1 2 315.329 2.614 20 5 DFBDLO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000372710582 428491391 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O=[N+]([O-])c1cc(Cl)cnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000434958149 429116345 /nfs/dbraw/zinc/11/63/45/429116345.db2.gz CNQDZFBHOYGDCR-UHFFFAOYSA-N 1 2 322.752 2.558 20 5 DFBDLO O=[N+]([O-])c1cnc2ccccc2c1NCc1cn2ccccc2[nH+]1 ZINC000487893211 429171555 /nfs/dbraw/zinc/17/15/55/429171555.db2.gz FOANGBBMKVUUQJ-UHFFFAOYSA-N 1 2 319.324 2.825 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1CNc1ccc(N2CCCC2)c[nH+]1 ZINC000425367671 429277589 /nfs/dbraw/zinc/27/75/89/429277589.db2.gz IJGXDNPQIKLTIA-UHFFFAOYSA-N 1 2 312.373 3.511 20 5 DFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000456369686 429289769 /nfs/dbraw/zinc/28/97/69/429289769.db2.gz YAERBPHGHDZHTO-GFCCVEGCSA-N 1 2 316.361 2.540 20 5 DFBDLO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2[nH+]ccn21 ZINC000456374624 429293175 /nfs/dbraw/zinc/29/31/75/429293175.db2.gz JQRJIGSUMHRNBY-PELKAZGASA-N 1 2 320.736 2.881 20 5 DFBDLO CO[C@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425428044 429293756 /nfs/dbraw/zinc/29/37/56/429293756.db2.gz VQBRWEHYWGVVTA-NSHDSACASA-N 1 2 315.167 2.578 20 5 DFBDLO CO[C@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425428044 429293760 /nfs/dbraw/zinc/29/37/60/429293760.db2.gz VQBRWEHYWGVVTA-NSHDSACASA-N 1 2 315.167 2.578 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457311106 429442825 /nfs/dbraw/zinc/44/28/25/429442825.db2.gz JWYBVYVRNLFLOJ-UHFFFAOYSA-N 1 2 320.374 2.674 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000449573787 429452218 /nfs/dbraw/zinc/45/22/18/429452218.db2.gz SCEXTDSYVMKWLV-SMDDNHRTSA-N 1 2 316.361 2.986 20 5 DFBDLO CC(C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450197328 429578941 /nfs/dbraw/zinc/57/89/41/429578941.db2.gz FCEVDZLHRRFAGZ-GFCCVEGCSA-N 1 2 316.361 2.945 20 5 DFBDLO O=[N+]([O-])c1ccc(Cl)cc1NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000367425397 429645779 /nfs/dbraw/zinc/64/57/79/429645779.db2.gz DKPDKLVQIMAYOZ-LBPRGKRZSA-N 1 2 311.769 2.523 20 5 DFBDLO O=[N+]([O-])c1ccc(Cl)cc1NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000367425397 429645783 /nfs/dbraw/zinc/64/57/83/429645783.db2.gz DKPDKLVQIMAYOZ-LBPRGKRZSA-N 1 2 311.769 2.523 20 5 DFBDLO CCn1cc[nH+]c1/C=C\C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000492757613 429609246 /nfs/dbraw/zinc/60/92/46/429609246.db2.gz BKHGHIARPWNGHA-ARJAWSKDSA-N 1 2 304.281 2.602 20 5 DFBDLO CCc1cc(N)nc(SCc2ccc([N+](=O)[O-])cc2OC)[nH+]1 ZINC000485386297 429745950 /nfs/dbraw/zinc/74/59/50/429745950.db2.gz ZMLSNEGTKATCBU-UHFFFAOYSA-N 1 2 320.374 2.830 20 5 DFBDLO CCOC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544715 429849542 /nfs/dbraw/zinc/84/95/42/429849542.db2.gz FMVKQVRFHPAOJX-JSGCOSHPSA-N 1 2 306.362 2.726 20 5 DFBDLO CCOC(=O)[C@H](C)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544715 429849547 /nfs/dbraw/zinc/84/95/47/429849547.db2.gz FMVKQVRFHPAOJX-JSGCOSHPSA-N 1 2 306.362 2.726 20 5 DFBDLO CCc1nnc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000451545146 429849837 /nfs/dbraw/zinc/84/98/37/429849837.db2.gz GLTNRNFWACHBGL-ZDUSSCGKSA-N 1 2 315.377 2.655 20 5 DFBDLO CCc1nnc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000451545146 429849841 /nfs/dbraw/zinc/84/98/41/429849841.db2.gz GLTNRNFWACHBGL-ZDUSSCGKSA-N 1 2 315.377 2.655 20 5 DFBDLO CO[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000451580365 429857572 /nfs/dbraw/zinc/85/75/72/429857572.db2.gz ZSIAQULTKNCLTB-XPTSAGLGSA-N 1 2 300.305 2.730 20 5 DFBDLO CO[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000451580365 429857574 /nfs/dbraw/zinc/85/75/74/429857574.db2.gz ZSIAQULTKNCLTB-XPTSAGLGSA-N 1 2 300.305 2.730 20 5 DFBDLO O=[N+]([O-])c1ccccc1C[N@H+](CCO)Cc1cccc(F)c1 ZINC000494283982 429864663 /nfs/dbraw/zinc/86/46/63/429864663.db2.gz ATBAAWQGJPBKQO-UHFFFAOYSA-N 1 2 304.321 2.728 20 5 DFBDLO O=[N+]([O-])c1ccccc1C[N@@H+](CCO)Cc1cccc(F)c1 ZINC000494283982 429864665 /nfs/dbraw/zinc/86/46/65/429864665.db2.gz ATBAAWQGJPBKQO-UHFFFAOYSA-N 1 2 304.321 2.728 20 5 DFBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3ccnc(Cl)c3)C2)c1 ZINC000369017248 429907708 /nfs/dbraw/zinc/90/77/08/429907708.db2.gz NRLMYBQPIBMSMM-GFCCVEGCSA-N 1 2 321.768 2.677 20 5 DFBDLO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3ccnc(Cl)c3)C2)c1 ZINC000369017248 429907709 /nfs/dbraw/zinc/90/77/09/429907709.db2.gz NRLMYBQPIBMSMM-GFCCVEGCSA-N 1 2 321.768 2.677 20 5 DFBDLO Cn1c[nH+]c2c1CCN(Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000369402493 429937372 /nfs/dbraw/zinc/93/73/72/429937372.db2.gz GNFOVWHMASCSJT-UHFFFAOYSA-N 1 2 306.753 2.540 20 5 DFBDLO COc1cc[nH+]cc1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000573893459 429990664 /nfs/dbraw/zinc/99/06/64/429990664.db2.gz SSJACADHWIFGRJ-SNVBAGLBSA-N 1 2 301.302 2.741 20 5 DFBDLO CC(C)n1cc([C@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000559151428 430000127 /nfs/dbraw/zinc/00/01/27/430000127.db2.gz IHOVNMBYYYPMIS-NSHDSACASA-N 1 2 304.350 2.929 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1nnc2n1CCCC2 ZINC000545457400 430320120 /nfs/dbraw/zinc/32/01/20/430320120.db2.gz DNTBLIUGGBPKES-GFCCVEGCSA-N 1 2 315.377 2.682 20 5 DFBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3sc(Cl)cc3C2)c1 ZINC000582962932 430351561 /nfs/dbraw/zinc/35/15/61/430351561.db2.gz XSHDLWCPFZZJHD-UHFFFAOYSA-N 1 2 312.782 2.565 20 5 DFBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCc3sc(Cl)cc3C2)c1 ZINC000582962932 430351564 /nfs/dbraw/zinc/35/15/64/430351564.db2.gz XSHDLWCPFZZJHD-UHFFFAOYSA-N 1 2 312.782 2.565 20 5 DFBDLO CCC[C@](C)([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(=O)OC ZINC000547285384 430383560 /nfs/dbraw/zinc/38/35/60/430383560.db2.gz SNMSMWNMMGXQTB-GQSKFBFOSA-N 1 2 306.362 2.929 20 5 DFBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H]1CO ZINC000290046204 280353219 /nfs/dbraw/zinc/35/32/19/280353219.db2.gz RIZFRVCNVCQDEG-JTQLQIEISA-N 1 2 305.161 2.858 20 5 DFBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H]1CO ZINC000290046204 280353222 /nfs/dbraw/zinc/35/32/22/280353222.db2.gz RIZFRVCNVCQDEG-JTQLQIEISA-N 1 2 305.161 2.858 20 5 DFBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c1 ZINC000291349385 280364450 /nfs/dbraw/zinc/36/44/50/280364450.db2.gz XCGSPJARHVXVHM-SNVBAGLBSA-N 1 2 320.723 2.698 20 5 DFBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)c1 ZINC000291349385 280364451 /nfs/dbraw/zinc/36/44/51/280364451.db2.gz XCGSPJARHVXVHM-SNVBAGLBSA-N 1 2 320.723 2.698 20 5 DFBDLO C[NH+](C)CC1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCCCC1 ZINC000330912862 289085269 /nfs/dbraw/zinc/08/52/69/289085269.db2.gz IDJIKWSPDJIRSI-UHFFFAOYSA-N 1 2 321.377 2.751 20 5 DFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285242998 290267359 /nfs/dbraw/zinc/26/73/59/290267359.db2.gz GSYQIZVXFYQLKG-CJNGLKHVSA-N 1 2 306.362 2.537 20 5 DFBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285242998 290267361 /nfs/dbraw/zinc/26/73/61/290267361.db2.gz GSYQIZVXFYQLKG-CJNGLKHVSA-N 1 2 306.362 2.537 20 5 DFBDLO CC(C)[C@@H]1OCCC[C@@H]1C[NH+]=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000447678396 297312931 /nfs/dbraw/zinc/31/29/31/297312931.db2.gz ZMLJHRRHGFTZOO-ABAIWWIYSA-N 1 2 318.377 2.756 20 5 DFBDLO COc1cc(C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000447851712 297321193 /nfs/dbraw/zinc/32/11/93/297321193.db2.gz UWLPPJISVMVNOY-OAHLLOKOSA-N 1 2 308.378 2.850 20 5 DFBDLO COc1cc(C[N@H+]2CCO[C@@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000447851712 297321194 /nfs/dbraw/zinc/32/11/94/297321194.db2.gz UWLPPJISVMVNOY-OAHLLOKOSA-N 1 2 308.378 2.850 20 5 DFBDLO CC[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448847782 297375053 /nfs/dbraw/zinc/37/50/53/297375053.db2.gz VTRLRTUMKGWAFX-LLVKDONJSA-N 1 2 302.334 2.651 20 5 DFBDLO CCn1cc[nH+]c1[C@H](C)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000450834384 297697216 /nfs/dbraw/zinc/69/72/16/297697216.db2.gz VAYTXWATQNLLMZ-NSHDSACASA-N 1 2 311.345 2.954 20 5 DFBDLO CCc1ccc(C(=O)Nc2c[nH+]c3n2CCCC3)cc1[N+](=O)[O-] ZINC000452336305 297960058 /nfs/dbraw/zinc/96/00/58/297960058.db2.gz VBEJNUUPODWCSY-UHFFFAOYSA-N 1 2 314.345 2.942 20 5 DFBDLO C[C@H]1C[C@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000455328692 298339949 /nfs/dbraw/zinc/33/99/49/298339949.db2.gz IOPALHBWJQLOFV-UFBFGSQYSA-N 1 2 319.296 2.758 20 5 DFBDLO Cc1cccc(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)c1[N+](=O)[O-] ZINC000456366703 298508880 /nfs/dbraw/zinc/50/88/80/298508880.db2.gz GWESWKXSROVCAG-PWSUYJOCSA-N 1 2 300.318 2.536 20 5 DFBDLO Cc1c(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cnn1C ZINC000507168364 300233487 /nfs/dbraw/zinc/23/34/87/300233487.db2.gz CJZLHTAXAQLJLE-UHFFFAOYSA-N 1 2 300.362 2.801 20 5 DFBDLO Cc1c(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cnn1C ZINC000507168364 300233488 /nfs/dbraw/zinc/23/34/88/300233488.db2.gz CJZLHTAXAQLJLE-UHFFFAOYSA-N 1 2 300.362 2.801 20 5 DFBDLO C[C@H]1C[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](C)S1 ZINC000547853347 301550838 /nfs/dbraw/zinc/55/08/38/301550838.db2.gz GMZXQNWUGSRBEJ-UWVGGRQHSA-N 1 2 306.391 2.797 20 5 DFBDLO CCc1nnc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000567123525 302338438 /nfs/dbraw/zinc/33/84/38/302338438.db2.gz KUNHSJFDHQNKDF-NSHDSACASA-N 1 2 304.375 2.786 20 5 DFBDLO Cn1cc[nH+]c1[C@@H]1N(c2ncc(Cl)cc2[N+](=O)[O-])CC1(C)C ZINC000296427405 303001442 /nfs/dbraw/zinc/00/14/42/303001442.db2.gz YCLMRBXDEYQXAP-NSHDSACASA-N 1 2 321.768 2.964 20 5 DFBDLO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CC(CO)(c2ccccc2)C1 ZINC000414543794 316623153 /nfs/dbraw/zinc/62/31/53/316623153.db2.gz BXXQULSCIQUPRS-SOFGYWHQSA-N 1 2 324.380 2.854 20 5 DFBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1c1ncc([N+](=O)[O-])c(C)n1 ZINC000450499908 317100024 /nfs/dbraw/zinc/10/00/24/317100024.db2.gz KCKKAAJRRUBCHC-LBPRGKRZSA-N 1 2 316.365 2.641 20 5 DFBDLO CCOc1cc(C[NH2+][C@@H](C)c2nc(C)no2)ccc1[N+](=O)[O-] ZINC000491608178 317587133 /nfs/dbraw/zinc/58/71/33/317587133.db2.gz VJRHGEDEKGSPGA-VIFPVBQESA-N 1 2 306.322 2.536 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000576994977 318164644 /nfs/dbraw/zinc/16/46/44/318164644.db2.gz ZHCXRQJKOJSLCX-GFCCVEGCSA-N 1 2 302.334 2.998 20 5 DFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000578416811 318258622 /nfs/dbraw/zinc/25/86/22/318258622.db2.gz JDAKVRWBAWOSPL-NEPJUHHUSA-N 1 2 316.361 2.792 20 5 DFBDLO Cc1ccc([C@@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000578775562 318284895 /nfs/dbraw/zinc/28/48/95/318284895.db2.gz BYBJWSLPOOLSAT-CHWSQXEVSA-N 1 2 316.361 2.928 20 5 DFBDLO Cn1cc(Cl)c(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000579376549 318327329 /nfs/dbraw/zinc/32/73/29/318327329.db2.gz WCMJEKRORHWWEK-GFCCVEGCSA-N 1 2 306.753 2.759 20 5 DFBDLO C[C@H](Cn1cc[nH+]c1)Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000579466813 318331999 /nfs/dbraw/zinc/33/19/99/318331999.db2.gz QVCRYIBEBDHALH-LLVKDONJSA-N 1 2 301.350 2.566 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCOCC3(CCC3)C2)c(F)c1 ZINC000579623631 318343862 /nfs/dbraw/zinc/34/38/62/318343862.db2.gz TWYKGSMDHFDJGS-UHFFFAOYSA-N 1 2 312.316 2.876 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCOCC3(CCC3)C2)c(F)c1 ZINC000579623631 318343864 /nfs/dbraw/zinc/34/38/64/318343864.db2.gz TWYKGSMDHFDJGS-UHFFFAOYSA-N 1 2 312.316 2.876 20 5 DFBDLO Cc1cc(N2CCc3c([nH+]c(C(C)C)n3C)C2)ncc1[N+](=O)[O-] ZINC000266851888 500961559 /nfs/dbraw/zinc/96/15/59/500961559.db2.gz RMDBSGRNIXKRDZ-UHFFFAOYSA-N 1 2 315.377 2.718 20 5 DFBDLO CCc1cc(N2CCOc3ccc([N+](=O)[O-])cc3C2)nc(C)[nH+]1 ZINC000357833042 536148073 /nfs/dbraw/zinc/14/80/73/536148073.db2.gz ZTDCLWCEKRRACC-UHFFFAOYSA-N 1 2 314.345 2.655 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cs1 ZINC000286551258 219049879 /nfs/dbraw/zinc/04/98/79/219049879.db2.gz OPDVTILQFRYAHO-VHSXEESVSA-N 1 2 324.324 2.649 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cs1 ZINC000286551258 219049881 /nfs/dbraw/zinc/04/98/81/219049881.db2.gz OPDVTILQFRYAHO-VHSXEESVSA-N 1 2 324.324 2.649 20 5 DFBDLO O=[N+]([O-])c1cnc(NCCCn2cc[nH+]c2)c(C(F)(F)F)c1 ZINC000413026776 295669178 /nfs/dbraw/zinc/66/91/78/295669178.db2.gz WJGLODFXZHEIPR-UHFFFAOYSA-N 1 2 315.255 2.707 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@@H](CO)CC3CC3)c2c1 ZINC000596490996 398428670 /nfs/dbraw/zinc/42/86/70/398428670.db2.gz BYTCEBWLWLLDRZ-LBPRGKRZSA-N 1 2 301.346 2.964 20 5 DFBDLO C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026346594 282372797 /nfs/dbraw/zinc/37/27/97/282372797.db2.gz NFHIMWJCNFOYRH-ZFWWWQNUSA-N 1 2 319.405 2.722 20 5 DFBDLO C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026346594 282372799 /nfs/dbraw/zinc/37/27/99/282372799.db2.gz NFHIMWJCNFOYRH-ZFWWWQNUSA-N 1 2 319.405 2.722 20 5 DFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000090007243 398474545 /nfs/dbraw/zinc/47/45/45/398474545.db2.gz TVQOHEIEIUCRLU-INIZCTEOSA-N 1 2 320.389 2.993 20 5 DFBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC000090007243 398474548 /nfs/dbraw/zinc/47/45/48/398474548.db2.gz TVQOHEIEIUCRLU-INIZCTEOSA-N 1 2 320.389 2.993 20 5 DFBDLO C[N@@H+]1CCO[C@@H](CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000226741658 201784972 /nfs/dbraw/zinc/78/49/72/201784972.db2.gz NCCKEYYMYPCJKY-VIFPVBQESA-N 1 2 320.176 2.644 20 5 DFBDLO C[N@H+]1CCO[C@@H](CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000226741658 201784975 /nfs/dbraw/zinc/78/49/75/201784975.db2.gz NCCKEYYMYPCJKY-VIFPVBQESA-N 1 2 320.176 2.644 20 5 DFBDLO C[C@@H](Nc1ccc(N(C)CCO)c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000305826710 398507385 /nfs/dbraw/zinc/50/73/85/398507385.db2.gz NMKHOOPCHNOSGV-GFCCVEGCSA-N 1 2 316.361 2.591 20 5 DFBDLO Cc1cc(NC(=O)N[C@H](C)c2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000596822321 398507630 /nfs/dbraw/zinc/50/76/30/398507630.db2.gz CFBUNJNOOBFPOV-SNVBAGLBSA-N 1 2 303.322 2.519 20 5 DFBDLO O=[N+]([O-])c1cncc(Cl)c1NCCCCNc1cccc[nH+]1 ZINC000589114969 398527539 /nfs/dbraw/zinc/52/75/39/398527539.db2.gz YSQDKJSIHIIUKZ-UHFFFAOYSA-N 1 2 321.768 2.764 20 5 DFBDLO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H](C)O2 ZINC000279755212 215117450 /nfs/dbraw/zinc/11/74/50/215117450.db2.gz LUMMYOLSLLUSHN-BFQNTYOBSA-N 1 2 324.352 2.502 20 5 DFBDLO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H](C)O2 ZINC000279755212 215117452 /nfs/dbraw/zinc/11/74/52/215117452.db2.gz LUMMYOLSLLUSHN-BFQNTYOBSA-N 1 2 324.352 2.502 20 5 DFBDLO COc1cc(F)c([N+](=O)[O-])c(NC[C@H](C)Cn2cc[nH+]c2)c1 ZINC000092612553 398587564 /nfs/dbraw/zinc/58/75/64/398587564.db2.gz KLMLXXBACJKWES-JTQLQIEISA-N 1 2 308.313 2.687 20 5 DFBDLO CC(C)(C)c1nnc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[nH]1 ZINC000459675869 299162755 /nfs/dbraw/zinc/16/27/55/299162755.db2.gz KKRJAQZJCVMCOU-UHFFFAOYSA-N 1 2 323.784 2.954 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000092757601 398599192 /nfs/dbraw/zinc/59/91/92/398599192.db2.gz ITTUQIXSVCFHDF-OAHLLOKOSA-N 1 2 313.357 2.987 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000092757601 398599195 /nfs/dbraw/zinc/59/91/95/398599195.db2.gz ITTUQIXSVCFHDF-OAHLLOKOSA-N 1 2 313.357 2.987 20 5 DFBDLO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)c1ccc([N+](=O)[O-])cc1 ZINC000590263986 398608680 /nfs/dbraw/zinc/60/86/80/398608680.db2.gz GPXKMAUINLYESC-ZNMIVQPWSA-N 1 2 318.352 2.898 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+](CCCO)Cc1ccccc1 ZINC000093102022 398619087 /nfs/dbraw/zinc/61/90/87/398619087.db2.gz JQEUUWWXZAUMJP-UHFFFAOYSA-N 1 2 316.357 2.685 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](CCCO)Cc1ccccc1 ZINC000093102022 398619090 /nfs/dbraw/zinc/61/90/90/398619090.db2.gz JQEUUWWXZAUMJP-UHFFFAOYSA-N 1 2 316.357 2.685 20 5 DFBDLO CCC(=O)c1ccc(N[C@@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000280003541 215304347 /nfs/dbraw/zinc/30/43/47/215304347.db2.gz IAWGIHVYASLJGD-NSHDSACASA-N 1 2 302.334 2.885 20 5 DFBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)[NH+]1[C@H](C)CC[C@H]1C ZINC000164295188 186155136 /nfs/dbraw/zinc/15/51/36/186155136.db2.gz YXLGETOLPZRXLS-MXWKQRLJSA-N 1 2 307.350 2.500 20 5 DFBDLO COC[C@H](C)N(C)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171987723 198021246 /nfs/dbraw/zinc/02/12/46/198021246.db2.gz PKDJHNGNTADLLA-LBPRGKRZSA-N 1 2 316.361 2.831 20 5 DFBDLO COc1ccc(C(=O)Nc2ccc(C)[nH+]c2C)cc1[N+](=O)[O-] ZINC000121596836 282811914 /nfs/dbraw/zinc/81/19/14/282811914.db2.gz GAFHGLHSKYORJR-UHFFFAOYSA-N 1 2 301.302 2.868 20 5 DFBDLO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000331923246 234280321 /nfs/dbraw/zinc/28/03/21/234280321.db2.gz MJVSYHZQKHBDOW-VXGBXAGGSA-N 1 2 314.345 2.651 20 5 DFBDLO CC(C)c1ccc(C(=O)N(C)Cc2c[nH+]c[nH]2)cc1[N+](=O)[O-] ZINC000597857449 398705444 /nfs/dbraw/zinc/70/54/44/398705444.db2.gz LOPXACVNLSQXBG-UHFFFAOYSA-N 1 2 302.334 2.714 20 5 DFBDLO CC(C)c1ccc(C(=O)N(C)Cc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000597857449 398705447 /nfs/dbraw/zinc/70/54/47/398705447.db2.gz LOPXACVNLSQXBG-UHFFFAOYSA-N 1 2 302.334 2.714 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c(Cl)c1 ZINC000182148510 199394086 /nfs/dbraw/zinc/39/40/86/199394086.db2.gz MONYAIGHTPCMGA-CYBMUJFWSA-N 1 2 321.768 2.677 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](n3cncn3)C2)c(Cl)c1 ZINC000182148510 199394087 /nfs/dbraw/zinc/39/40/87/199394087.db2.gz MONYAIGHTPCMGA-CYBMUJFWSA-N 1 2 321.768 2.677 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@@H](CCO)C3)c2c1 ZINC000591144987 398731937 /nfs/dbraw/zinc/73/19/37/398731937.db2.gz AYUUEXOTAVNBSA-LBPRGKRZSA-N 1 2 301.346 2.742 20 5 DFBDLO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000591634814 398777491 /nfs/dbraw/zinc/77/74/91/398777491.db2.gz ZWVRRCAUYXLPQX-CABCVRRESA-N 1 2 316.361 2.588 20 5 DFBDLO CO[C@@H]1C[C@@H](c2ncc[nH]2)[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000591634814 398777494 /nfs/dbraw/zinc/77/74/94/398777494.db2.gz ZWVRRCAUYXLPQX-CABCVRRESA-N 1 2 316.361 2.588 20 5 DFBDLO CO[C@@H]1C[C@@H](c2ncc[nH]2)[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000591634814 398777497 /nfs/dbraw/zinc/77/74/97/398777497.db2.gz ZWVRRCAUYXLPQX-CABCVRRESA-N 1 2 316.361 2.588 20 5 DFBDLO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000276828443 213119723 /nfs/dbraw/zinc/11/97/23/213119723.db2.gz ARBGCIPSYXRFDA-CQSZACIVSA-N 1 2 322.361 2.521 20 5 DFBDLO CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000276828443 213119726 /nfs/dbraw/zinc/11/97/26/213119726.db2.gz ARBGCIPSYXRFDA-CQSZACIVSA-N 1 2 322.361 2.521 20 5 DFBDLO C[N@H+](CCC(=O)OC(C)(C)C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000150952355 283271877 /nfs/dbraw/zinc/27/18/77/283271877.db2.gz RALHGCBEMQDQCG-UHFFFAOYSA-N 1 2 312.341 2.898 20 5 DFBDLO C[N@@H+](CCC(=O)OC(C)(C)C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000150952355 283271883 /nfs/dbraw/zinc/27/18/83/283271883.db2.gz RALHGCBEMQDQCG-UHFFFAOYSA-N 1 2 312.341 2.898 20 5 DFBDLO COc1cccc([N+](=O)[O-])c1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000594568773 398822769 /nfs/dbraw/zinc/82/27/69/398822769.db2.gz WWQCFTXMYDIXEM-GFCCVEGCSA-N 1 2 314.345 2.689 20 5 DFBDLO C[C@H](CNc1ccc([N+](=O)[O-])cc1F)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594590813 398825808 /nfs/dbraw/zinc/82/58/08/398825808.db2.gz CKJKUXHQWFKUPT-UTUOFQBUSA-N 1 2 311.357 2.644 20 5 DFBDLO C[C@H](CNc1ccc([N+](=O)[O-])cc1F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594590813 398825810 /nfs/dbraw/zinc/82/58/10/398825810.db2.gz CKJKUXHQWFKUPT-UTUOFQBUSA-N 1 2 311.357 2.644 20 5 DFBDLO CC1(C)CC[C@H](CO)[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000598648564 398847788 /nfs/dbraw/zinc/84/77/88/398847788.db2.gz PUQCZADRWKHTAH-SNVBAGLBSA-N 1 2 314.332 2.856 20 5 DFBDLO CC1(C)CC[C@H](CO)[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000598648564 398847789 /nfs/dbraw/zinc/84/77/89/398847789.db2.gz PUQCZADRWKHTAH-SNVBAGLBSA-N 1 2 314.332 2.856 20 5 DFBDLO C[C@H]([NH2+]Cc1cn(C2CCC2)nn1)c1ccccc1[N+](=O)[O-] ZINC000594935472 398875542 /nfs/dbraw/zinc/87/55/42/398875542.db2.gz PRIGUBZMHLTMAS-NSHDSACASA-N 1 2 301.350 2.762 20 5 DFBDLO C[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c2ncnn21 ZINC000594958032 398881901 /nfs/dbraw/zinc/88/19/01/398881901.db2.gz XLUIOVGCTVKBEW-UFBFGSQYSA-N 1 2 307.741 2.635 20 5 DFBDLO Cc1cc(N[C@@H](C)[C@@H](C)CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000077227313 398890775 /nfs/dbraw/zinc/89/07/75/398890775.db2.gz PCIJTIGWPCTPFF-JQWIXIFHSA-N 1 2 316.361 2.789 20 5 DFBDLO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C)n3ncnc32)cc1[N+](=O)[O-] ZINC000595067163 398901436 /nfs/dbraw/zinc/90/14/36/398901436.db2.gz KCGUSLFFTCZQTG-GVXVVHGQSA-N 1 2 301.350 2.851 20 5 DFBDLO C[C@@H]1c2cccn2CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000051499261 425883075 /nfs/dbraw/zinc/88/30/75/425883075.db2.gz BWXYKURSCLLKOW-CYBMUJFWSA-N 1 2 301.346 2.852 20 5 DFBDLO C[C@@H]1c2cccn2CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000051499261 425883076 /nfs/dbraw/zinc/88/30/76/425883076.db2.gz BWXYKURSCLLKOW-CYBMUJFWSA-N 1 2 301.346 2.852 20 5 DFBDLO CCOC(=O)[C@H](C)[N@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470173473 299293121 /nfs/dbraw/zinc/29/31/21/299293121.db2.gz BZXGYMNRHVFBCD-SRXBQZRASA-N 1 2 306.362 2.882 20 5 DFBDLO CCOC(=O)[C@H](C)[N@@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470173473 299293125 /nfs/dbraw/zinc/29/31/25/299293125.db2.gz BZXGYMNRHVFBCD-SRXBQZRASA-N 1 2 306.362 2.882 20 5 DFBDLO CC(C)OC(=O)CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599018596 398908154 /nfs/dbraw/zinc/90/81/54/398908154.db2.gz ZSGIZJIQBOILMI-UHFFFAOYSA-N 1 2 303.318 2.897 20 5 DFBDLO CCc1nc(CCNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])no1 ZINC000599034045 398911130 /nfs/dbraw/zinc/91/11/30/398911130.db2.gz YTYBXISCGQQQHM-UHFFFAOYSA-N 1 2 313.317 2.743 20 5 DFBDLO CS[C@H](CO)[C@H](C)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599045629 398912901 /nfs/dbraw/zinc/91/29/01/398912901.db2.gz CLROSRPEPHSQFW-TVQRCGJNSA-N 1 2 307.375 2.667 20 5 DFBDLO C[C@@H](CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])[S@@](C)=O ZINC000599053922 398914097 /nfs/dbraw/zinc/91/40/97/398914097.db2.gz AWYZONOTWKIBBR-CHNSCGDPSA-N 1 2 307.375 2.712 20 5 DFBDLO C[C@@H](O)C[C@@H]1CCCN1c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599057068 398914636 /nfs/dbraw/zinc/91/46/36/398914636.db2.gz CDYIHQJMGVWNSS-YPMHNXCESA-N 1 2 301.346 2.883 20 5 DFBDLO C[C@H](O)[C@@H]1CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599059771 398915123 /nfs/dbraw/zinc/91/51/23/398915123.db2.gz QTPARHUVPANWJY-WCQYABFASA-N 1 2 301.346 2.740 20 5 DFBDLO CC1(C)CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC[C@@H]1O ZINC000599074598 398918271 /nfs/dbraw/zinc/91/82/71/398918271.db2.gz XFWZGJDHVUHWJC-AWEZNQCLSA-N 1 2 301.346 2.740 20 5 DFBDLO C[C@H]1C[C@@H](CO)CN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599090507 398919294 /nfs/dbraw/zinc/91/92/94/398919294.db2.gz LSQSBDKNQHKGPT-NWDGAFQWSA-N 1 2 301.346 2.598 20 5 DFBDLO Cc1cc(N(C)CCc2[nH]c3ccccc3[nH+]2)ncc1[N+](=O)[O-] ZINC000599093284 398919898 /nfs/dbraw/zinc/91/98/98/398919898.db2.gz WVCIZMPRVIPCNE-UHFFFAOYSA-N 1 2 311.345 2.853 20 5 DFBDLO Cc1cc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc[nH+]1 ZINC000191762663 283492693 /nfs/dbraw/zinc/49/26/93/283492693.db2.gz ZVGFAVMHRNGTQV-UHFFFAOYSA-N 1 2 321.358 2.716 20 5 DFBDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595389108 398930905 /nfs/dbraw/zinc/93/09/05/398930905.db2.gz KUEHGZOEMOZAAG-AWEZNQCLSA-N 1 2 318.352 2.977 20 5 DFBDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595389108 398930907 /nfs/dbraw/zinc/93/09/07/398930907.db2.gz KUEHGZOEMOZAAG-AWEZNQCLSA-N 1 2 318.352 2.977 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC(F)(F)CO)CCCC2 ZINC000417325695 296010143 /nfs/dbraw/zinc/01/01/43/296010143.db2.gz DQAIGGHCXWBOSX-CYBMUJFWSA-N 1 2 300.305 2.580 20 5 DFBDLO COc1ccc([C@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])cc1F ZINC000595411297 398933419 /nfs/dbraw/zinc/93/34/19/398933419.db2.gz ZUIYAPNTYCUCPA-QMMMGPOBSA-N 1 2 309.297 2.890 20 5 DFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000595403622 398932916 /nfs/dbraw/zinc/93/29/16/398932916.db2.gz FYTZFRAKJYIEPW-UHFFFAOYSA-N 1 2 317.311 2.507 20 5 DFBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCCN(CC(F)F)CC1 ZINC000595403622 398932917 /nfs/dbraw/zinc/93/29/17/398932917.db2.gz FYTZFRAKJYIEPW-UHFFFAOYSA-N 1 2 317.311 2.507 20 5 DFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCc1ccco1 ZINC000471826325 299308480 /nfs/dbraw/zinc/30/84/80/299308480.db2.gz 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ZINC000595468018 398945350 /nfs/dbraw/zinc/94/53/50/398945350.db2.gz WXGCURUUEZJECD-UHFFFAOYSA-N 1 2 319.336 2.514 20 5 DFBDLO CC(C)(C)CNC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000599334254 398955234 /nfs/dbraw/zinc/95/52/34/398955234.db2.gz FWKHSYBAXHEVAC-UHFFFAOYSA-N 1 2 319.405 2.722 20 5 DFBDLO CC(C)(C)CNC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000599334254 398955237 /nfs/dbraw/zinc/95/52/37/398955237.db2.gz FWKHSYBAXHEVAC-UHFFFAOYSA-N 1 2 319.405 2.722 20 5 DFBDLO CC(C)(C)CNC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000599339247 398956394 /nfs/dbraw/zinc/95/63/94/398956394.db2.gz KYSZHPACQJRGCP-UHFFFAOYSA-N 1 2 319.405 2.722 20 5 DFBDLO CC(C)(C)CNC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000599339247 398956395 /nfs/dbraw/zinc/95/63/95/398956395.db2.gz KYSZHPACQJRGCP-UHFFFAOYSA-N 1 2 319.405 2.722 20 5 DFBDLO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000595525407 398956797 /nfs/dbraw/zinc/95/67/97/398956797.db2.gz FMNABQUJAPOTLF-UHFFFAOYSA-N 1 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Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000610239733 399348955 /nfs/dbraw/zinc/34/89/55/399348955.db2.gz JMTCXHLDWSYHTB-CYBMUJFWSA-N 1 2 314.345 2.577 20 5 DFBDLO Cn1cc[nH+]c1[C@H](Nc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000284684723 218132388 /nfs/dbraw/zinc/13/23/88/218132388.db2.gz YJWGBANUMOFHAR-OAHLLOKOSA-N 1 2 316.361 2.908 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CCc1c[nH+]cn1C ZINC000619573446 399363651 /nfs/dbraw/zinc/36/36/51/399363651.db2.gz UMBHLORAGUVLEV-UHFFFAOYSA-N 1 2 302.334 2.516 20 5 DFBDLO CCn1c[nH+]cc1[C@H]1CCCCN1c1ncc([N+](=O)[O-])s1 ZINC000619695342 399378347 /nfs/dbraw/zinc/37/83/47/399378347.db2.gz QKBYDEXDSWZQQN-SNVBAGLBSA-N 1 2 307.379 2.999 20 5 DFBDLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581278 399382997 /nfs/dbraw/zinc/38/29/97/399382997.db2.gz XMXWMMCCKNNMML-MNOVXSKESA-N 1 2 305.334 2.735 20 5 DFBDLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581278 399383000 /nfs/dbraw/zinc/38/30/00/399383000.db2.gz XMXWMMCCKNNMML-MNOVXSKESA-N 1 2 305.334 2.735 20 5 DFBDLO O=C(C[N@@H+]1C[C@@H]2CCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000610585582 399383254 /nfs/dbraw/zinc/38/32/54/399383254.db2.gz VBQYTGHEIALCHR-ZANVPECISA-N 1 2 309.753 2.671 20 5 DFBDLO O=C(C[N@H+]1C[C@@H]2CCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000610585582 399383257 /nfs/dbraw/zinc/38/32/57/399383257.db2.gz VBQYTGHEIALCHR-ZANVPECISA-N 1 2 309.753 2.671 20 5 DFBDLO CCc1noc([C@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000285208780 218334164 /nfs/dbraw/zinc/33/41/64/218334164.db2.gz DNOVQWXTSUTUJJ-NSHDSACASA-N 1 2 304.350 2.776 20 5 DFBDLO CCc1noc([C@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000285208780 218334166 /nfs/dbraw/zinc/33/41/66/218334166.db2.gz DNOVQWXTSUTUJJ-NSHDSACASA-N 1 2 304.350 2.776 20 5 DFBDLO Cn1cc(C[N@H+](C)Cc2cc3ccccc3o2)c([N+](=O)[O-])n1 ZINC000602473677 399453817 /nfs/dbraw/zinc/45/38/17/399453817.db2.gz CLRAVVQGQICMQQ-UHFFFAOYSA-N 1 2 300.318 2.707 20 5 DFBDLO Cn1cc(C[N@@H+](C)Cc2cc3ccccc3o2)c([N+](=O)[O-])n1 ZINC000602473677 399453822 /nfs/dbraw/zinc/45/38/22/399453822.db2.gz CLRAVVQGQICMQQ-UHFFFAOYSA-N 1 2 300.318 2.707 20 5 DFBDLO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-])CCC2 ZINC000602470653 399453166 /nfs/dbraw/zinc/45/31/66/399453166.db2.gz BIABOXPNNPCTPA-GFCCVEGCSA-N 1 2 321.406 2.603 20 5 DFBDLO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1cn(C)nc1[N+](=O)[O-])CCC2 ZINC000602470653 399453169 /nfs/dbraw/zinc/45/31/69/399453169.db2.gz BIABOXPNNPCTPA-GFCCVEGCSA-N 1 2 321.406 2.603 20 5 DFBDLO CCOC(=O)c1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000602441120 399445313 /nfs/dbraw/zinc/44/53/13/399445313.db2.gz UAUNGEUMLYDLDF-UHFFFAOYSA-N 1 2 317.345 2.732 20 5 DFBDLO CCOC(=O)c1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000602441120 399445316 /nfs/dbraw/zinc/44/53/16/399445316.db2.gz UAUNGEUMLYDLDF-UHFFFAOYSA-N 1 2 317.345 2.732 20 5 DFBDLO CCC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])Cc1ccccc1F ZINC000602443004 399445823 /nfs/dbraw/zinc/44/58/23/399445823.db2.gz FCBWGXKWZZYVPM-UHFFFAOYSA-N 1 2 306.341 2.880 20 5 DFBDLO CCC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])Cc1ccccc1F ZINC000602443004 399445825 /nfs/dbraw/zinc/44/58/25/399445825.db2.gz FCBWGXKWZZYVPM-UHFFFAOYSA-N 1 2 306.341 2.880 20 5 DFBDLO C[C@@H]1COCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000611272443 399455841 /nfs/dbraw/zinc/45/58/41/399455841.db2.gz OIFIKDCCUXYHAR-SNVBAGLBSA-N 1 2 316.304 2.807 20 5 DFBDLO C[C@@H]1COCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000611272443 399455842 /nfs/dbraw/zinc/45/58/42/399455842.db2.gz OIFIKDCCUXYHAR-SNVBAGLBSA-N 1 2 316.304 2.807 20 5 DFBDLO Cc1ccc(NC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c[nH+]1 ZINC000602578648 399481760 /nfs/dbraw/zinc/48/17/60/399481760.db2.gz ZGWDJCMHNCHGOD-UHFFFAOYSA-N 1 2 313.361 2.774 20 5 DFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611502207 399483101 /nfs/dbraw/zinc/48/31/01/399483101.db2.gz PHKILPOQTPCXKQ-SUNKGSAMSA-N 1 2 309.341 2.602 20 5 DFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611502207 399483104 /nfs/dbraw/zinc/48/31/04/399483104.db2.gz PHKILPOQTPCXKQ-SUNKGSAMSA-N 1 2 309.341 2.602 20 5 DFBDLO CO[C@H](C)C[N@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602653417 399504199 /nfs/dbraw/zinc/50/41/99/399504199.db2.gz HJBOTPVGUUFUPJ-SSDOTTSWSA-N 1 2 323.212 2.886 20 5 DFBDLO CO[C@H](C)C[N@@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602653417 399504203 /nfs/dbraw/zinc/50/42/03/399504203.db2.gz HJBOTPVGUUFUPJ-SSDOTTSWSA-N 1 2 323.212 2.886 20 5 DFBDLO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C2(CCC2)CO1 ZINC000602712817 399533698 /nfs/dbraw/zinc/53/36/98/399533698.db2.gz OMSUYKHRVVACHA-NSHDSACASA-N 1 2 317.345 2.879 20 5 DFBDLO C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C2(CCC2)CO1 ZINC000602712817 399533703 /nfs/dbraw/zinc/53/37/03/399533703.db2.gz OMSUYKHRVVACHA-NSHDSACASA-N 1 2 317.345 2.879 20 5 DFBDLO O=[N+]([O-])c1ccc(N2CCn3c[nH+]cc3C2)c(Br)c1 ZINC000290672592 285132495 /nfs/dbraw/zinc/13/24/95/285132495.db2.gz KOPKPKOJGHMVIX-UHFFFAOYSA-N 1 2 323.150 2.574 20 5 DFBDLO C[C@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000602779354 399568735 /nfs/dbraw/zinc/56/87/35/399568735.db2.gz DHKGRZVXGPBPKJ-AAEUAGOBSA-N 1 2 304.350 2.895 20 5 DFBDLO C[C@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000602779354 399568740 /nfs/dbraw/zinc/56/87/40/399568740.db2.gz DHKGRZVXGPBPKJ-AAEUAGOBSA-N 1 2 304.350 2.895 20 5 DFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000602842395 399598721 /nfs/dbraw/zinc/59/87/21/399598721.db2.gz XISGSYYNOFEVLH-UHFFFAOYSA-N 1 2 306.753 2.769 20 5 DFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000602842395 399598723 /nfs/dbraw/zinc/59/87/23/399598723.db2.gz XISGSYYNOFEVLH-UHFFFAOYSA-N 1 2 306.753 2.769 20 5 DFBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000271602547 209051730 /nfs/dbraw/zinc/05/17/30/209051730.db2.gz ISKBALDIXYBDMT-VIFPVBQESA-N 1 2 312.276 2.893 20 5 DFBDLO Cc1nc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000151674383 196711418 /nfs/dbraw/zinc/71/14/18/196711418.db2.gz JFGSOVQZBUMSCI-BXUZGUMPSA-N 1 2 301.350 2.582 20 5 DFBDLO Cc1cn[nH]c1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000289580630 221082337 /nfs/dbraw/zinc/08/23/37/221082337.db2.gz SOGLVTHKUJUYNK-UHFFFAOYSA-N 1 2 314.267 2.935 20 5 DFBDLO Cc1c[nH]nc1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000289580630 221082339 /nfs/dbraw/zinc/08/23/39/221082339.db2.gz SOGLVTHKUJUYNK-UHFFFAOYSA-N 1 2 314.267 2.935 20 5 DFBDLO Cc1cc(C(=O)Nc2cc(N(C)C)cc[nH+]2)ccc1[N+](=O)[O-] ZINC000612345367 399628509 /nfs/dbraw/zinc/62/85/09/399628509.db2.gz GMYHYYJNVZAWSF-UHFFFAOYSA-N 1 2 300.318 2.617 20 5 DFBDLO C[C@@H](c1ccccc1[N+](=O)[O-])n1cc(C[NH+]2CCCCC2)nn1 ZINC000603217665 399713556 /nfs/dbraw/zinc/71/35/56/399713556.db2.gz JHUFGDIPQXQAJV-ZDUSSCGKSA-N 1 2 315.377 2.782 20 5 DFBDLO O=[N+]([O-])c1ncccc1NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000603861208 399809573 /nfs/dbraw/zinc/80/95/73/399809573.db2.gz UWFIOHAYBUTXRO-UHFFFAOYSA-N 1 2 313.361 2.987 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000175129627 145399778 /nfs/dbraw/zinc/39/97/78/145399778.db2.gz CJQJZAJGULKNRP-GFCCVEGCSA-N 1 2 308.378 2.993 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000175129627 145399780 /nfs/dbraw/zinc/39/97/80/145399780.db2.gz CJQJZAJGULKNRP-GFCCVEGCSA-N 1 2 308.378 2.993 20 5 DFBDLO COc1c(C)cc(C[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)cc1C ZINC000355546345 147358157 /nfs/dbraw/zinc/35/81/57/147358157.db2.gz PVJXXRSYLRLNCD-UHFFFAOYSA-N 1 2 318.377 2.586 20 5 DFBDLO COc1c(C)cc(C[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)cc1C ZINC000355546345 147358161 /nfs/dbraw/zinc/35/81/61/147358161.db2.gz PVJXXRSYLRLNCD-UHFFFAOYSA-N 1 2 318.377 2.586 20 5 DFBDLO CCOc1ccc([C@H](C)[NH2+]Cc2ccn(C)n2)cc1[N+](=O)[O-] ZINC000358240103 148299119 /nfs/dbraw/zinc/29/91/19/148299119.db2.gz QMJWBQAXXIJRBF-NSHDSACASA-N 1 2 304.350 2.578 20 5 DFBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000371429686 150045594 /nfs/dbraw/zinc/04/55/94/150045594.db2.gz GFYWYSZXRONMIC-ZDUSSCGKSA-N 1 2 302.334 2.534 20 5 DFBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000371429686 150045596 /nfs/dbraw/zinc/04/55/96/150045596.db2.gz GFYWYSZXRONMIC-ZDUSSCGKSA-N 1 2 302.334 2.534 20 5 DFBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3cccc(Cl)n3)C2)c1 ZINC000372272560 150156676 /nfs/dbraw/zinc/15/66/76/150156676.db2.gz ICPDDBUQCAPTFR-LBPRGKRZSA-N 1 2 321.768 2.677 20 5 DFBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3cccc(Cl)n3)C2)c1 ZINC000372272560 150156680 /nfs/dbraw/zinc/15/66/80/150156680.db2.gz ICPDDBUQCAPTFR-LBPRGKRZSA-N 1 2 321.768 2.677 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H](n3cccn3)C2)c(F)c1 ZINC000352131634 286300092 /nfs/dbraw/zinc/30/00/92/286300092.db2.gz UGUISQMXJBQFJW-LLVKDONJSA-N 1 2 322.315 2.907 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@H](n3cccn3)C2)c(F)c1 ZINC000352131634 286300094 /nfs/dbraw/zinc/30/00/94/286300094.db2.gz UGUISQMXJBQFJW-LLVKDONJSA-N 1 2 322.315 2.907 20 5 DFBDLO CC1(C)C[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000352291596 286337642 /nfs/dbraw/zinc/33/76/42/286337642.db2.gz YOCCYPBTHOEFOZ-GFCCVEGCSA-N 1 2 314.345 2.556 20 5 DFBDLO CC(C)[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1nncn1C ZINC000352484298 286385777 /nfs/dbraw/zinc/38/57/77/286385777.db2.gz NMSYLTVEPNJKEJ-CYBMUJFWSA-N 1 2 323.784 2.864 20 5 DFBDLO O=C(/C=C/c1[nH]cc[nH+]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000493356324 299763857 /nfs/dbraw/zinc/76/38/57/299763857.db2.gz RGCKBHINMRHXNA-BQYQJAHWSA-N 1 2 312.329 2.522 20 5 DFBDLO Cc1ccnc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000134043705 196356764 /nfs/dbraw/zinc/35/67/64/196356764.db2.gz WVBWYMCKOHHHBM-WCQYABFASA-N 1 2 301.350 2.582 20 5 DFBDLO CCC(C)(C)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599614 425865668 /nfs/dbraw/zinc/86/56/68/425865668.db2.gz QGEQOKHMPNBXBP-GFCCVEGCSA-N 1 2 307.394 2.720 20 5 DFBDLO CCC(C)(C)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599614 425865669 /nfs/dbraw/zinc/86/56/69/425865669.db2.gz QGEQOKHMPNBXBP-GFCCVEGCSA-N 1 2 307.394 2.720 20 5 DFBDLO Cn1cc[nH+]c1[C@H]1N(c2ncc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000296205103 268298696 /nfs/dbraw/zinc/29/86/96/268298696.db2.gz FQBSWVVDOTULCI-LLVKDONJSA-N 1 2 321.768 2.964 20 5 DFBDLO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000319853348 268346786 /nfs/dbraw/zinc/34/67/86/268346786.db2.gz UBKNKAJHKVVCLY-LBPRGKRZSA-N 1 2 315.377 2.764 20 5 DFBDLO Cc1c(C[N@H+]2CCC[C@H]2C(=O)OC(C)C)cccc1[N+](=O)[O-] ZINC000125424049 425970790 /nfs/dbraw/zinc/97/07/90/425970790.db2.gz BYRNBUZXHBGZHD-HNNXBMFYSA-N 1 2 306.362 2.819 20 5 DFBDLO Cc1c(C[N@@H+]2CCC[C@H]2C(=O)OC(C)C)cccc1[N+](=O)[O-] ZINC000125424049 425970792 /nfs/dbraw/zinc/97/07/92/425970792.db2.gz BYRNBUZXHBGZHD-HNNXBMFYSA-N 1 2 306.362 2.819 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000111231924 426038546 /nfs/dbraw/zinc/03/85/46/426038546.db2.gz KXICRTQCTQMNRE-RYUDHWBXSA-N 1 2 322.258 2.622 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000111231924 426038549 /nfs/dbraw/zinc/03/85/49/426038549.db2.gz KXICRTQCTQMNRE-RYUDHWBXSA-N 1 2 322.258 2.622 20 5 DFBDLO CC(C)c1ccc(C[N@@H+]2CCCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000162050222 426050447 /nfs/dbraw/zinc/05/04/47/426050447.db2.gz YJOKVCNHQMXFOR-AWEZNQCLSA-N 1 2 305.378 2.558 20 5 DFBDLO CC(C)c1ccc(C[N@H+]2CCCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000162050222 426050450 /nfs/dbraw/zinc/05/04/50/426050450.db2.gz YJOKVCNHQMXFOR-AWEZNQCLSA-N 1 2 305.378 2.558 20 5 DFBDLO CN(Cc1ccc(N)[nH+]c1)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000127124724 426051704 /nfs/dbraw/zinc/05/17/04/426051704.db2.gz ZLMGRZQXCQZQOE-UHFFFAOYSA-N 1 2 324.287 2.810 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000126302524 426014227 /nfs/dbraw/zinc/01/42/27/426014227.db2.gz DLFJRRKKKGQOMY-QGZVFWFLSA-N 1 2 314.341 2.874 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000126302524 426014230 /nfs/dbraw/zinc/01/42/30/426014230.db2.gz DLFJRRKKKGQOMY-QGZVFWFLSA-N 1 2 314.341 2.874 20 5 DFBDLO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000128171333 426104389 /nfs/dbraw/zinc/10/43/89/426104389.db2.gz RYTJSUILHGPHKR-NSHDSACASA-N 1 2 317.311 2.663 20 5 DFBDLO C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000128171333 426104392 /nfs/dbraw/zinc/10/43/92/426104392.db2.gz RYTJSUILHGPHKR-NSHDSACASA-N 1 2 317.311 2.663 20 5 DFBDLO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000128171141 426104405 /nfs/dbraw/zinc/10/44/05/426104405.db2.gz RYTJSUILHGPHKR-LLVKDONJSA-N 1 2 317.311 2.663 20 5 DFBDLO C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000128171141 426104407 /nfs/dbraw/zinc/10/44/07/426104407.db2.gz RYTJSUILHGPHKR-LLVKDONJSA-N 1 2 317.311 2.663 20 5 DFBDLO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCN1CC(F)(F)F ZINC000128157447 426104959 /nfs/dbraw/zinc/10/49/59/426104959.db2.gz MYCOPYMMRVMLRH-NSHDSACASA-N 1 2 317.311 2.663 20 5 DFBDLO C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CCN1CC(F)(F)F ZINC000128157447 426104963 /nfs/dbraw/zinc/10/49/63/426104963.db2.gz MYCOPYMMRVMLRH-NSHDSACASA-N 1 2 317.311 2.663 20 5 DFBDLO C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCOC1 ZINC000132026409 426169206 /nfs/dbraw/zinc/16/92/06/426169206.db2.gz NFVXZJOKLWKWFE-CQSZACIVSA-N 1 2 319.386 2.939 20 5 DFBDLO C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCOC1 ZINC000132026409 426169210 /nfs/dbraw/zinc/16/92/10/426169210.db2.gz NFVXZJOKLWKWFE-CQSZACIVSA-N 1 2 319.386 2.939 20 5 DFBDLO C[N@@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)c2ccccc2C1 ZINC000171480361 426191185 /nfs/dbraw/zinc/19/11/85/426191185.db2.gz VUUXJSDKVUMWSX-UHFFFAOYSA-N 1 2 317.370 2.749 20 5 DFBDLO C[N@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)c2ccccc2C1 ZINC000171480361 426191186 /nfs/dbraw/zinc/19/11/86/426191186.db2.gz VUUXJSDKVUMWSX-UHFFFAOYSA-N 1 2 317.370 2.749 20 5 DFBDLO CC[C@@H](C)CN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000171876748 426217704 /nfs/dbraw/zinc/21/77/04/426217704.db2.gz WBJFGEXBUNKFCI-GFCCVEGCSA-N 1 2 316.361 2.899 20 5 DFBDLO CC(C)([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000118847756 426248970 /nfs/dbraw/zinc/24/89/70/426248970.db2.gz RTUHLZGOJZAJFW-UHFFFAOYSA-N 1 2 320.374 2.515 20 5 DFBDLO C[NH+](C)Cc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000089540757 426296883 /nfs/dbraw/zinc/29/68/83/426296883.db2.gz FUOSKEOHMUBMPQ-UHFFFAOYSA-N 1 2 315.329 2.614 20 5 DFBDLO O=[N+]([O-])c1cccnc1SCc1ccc(-n2cc[nH+]c2)nc1 ZINC000175938286 426339948 /nfs/dbraw/zinc/33/99/48/426339948.db2.gz OVXVADAHGLWNHM-UHFFFAOYSA-N 1 2 313.342 2.863 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000151200489 426284413 /nfs/dbraw/zinc/28/44/13/426284413.db2.gz XLHQTWOJZBJCLC-GFCCVEGCSA-N 1 2 323.418 2.587 20 5 DFBDLO CC(C)[C@@H](CNc1c(F)cccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000341417799 269074632 /nfs/dbraw/zinc/07/46/32/269074632.db2.gz BTMITTBCHFPHNM-CQSZACIVSA-N 1 2 311.357 2.503 20 5 DFBDLO CCOC(=O)[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000155493838 426473048 /nfs/dbraw/zinc/47/30/48/426473048.db2.gz JINJZQUJDANOJV-LLVKDONJSA-N 1 2 310.325 2.509 20 5 DFBDLO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000155493838 426473051 /nfs/dbraw/zinc/47/30/51/426473051.db2.gz JINJZQUJDANOJV-LLVKDONJSA-N 1 2 310.325 2.509 20 5 DFBDLO Cc1cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)cc([N+](=O)[O-])c1 ZINC000101866393 426486636 /nfs/dbraw/zinc/48/66/36/426486636.db2.gz KJKISGSVPYGISI-UHFFFAOYSA-N 1 2 314.345 2.577 20 5 DFBDLO COC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccco1 ZINC000177572188 426496317 /nfs/dbraw/zinc/49/63/17/426496317.db2.gz ABOLUDLNLKCFOL-LBPRGKRZSA-N 1 2 306.318 2.674 20 5 DFBDLO C[N@@H+]1CCO[C@H](CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000226741666 426622007 /nfs/dbraw/zinc/62/20/07/426622007.db2.gz NCCKEYYMYPCJKY-SECBINFHSA-N 1 2 320.176 2.644 20 5 DFBDLO C[N@H+]1CCO[C@H](CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000226741666 426622011 /nfs/dbraw/zinc/62/20/11/426622011.db2.gz NCCKEYYMYPCJKY-SECBINFHSA-N 1 2 320.176 2.644 20 5 DFBDLO CCCCC[N@H+](CC(N)=O)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000272558392 426559238 /nfs/dbraw/zinc/55/92/38/426559238.db2.gz LJFKULGDPYJQKJ-UHFFFAOYSA-N 1 2 313.785 2.726 20 5 DFBDLO CCCCC[N@@H+](CC(N)=O)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000272558392 426559242 /nfs/dbraw/zinc/55/92/42/426559242.db2.gz LJFKULGDPYJQKJ-UHFFFAOYSA-N 1 2 313.785 2.726 20 5 DFBDLO CC(C)c1ccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000187545542 426670192 /nfs/dbraw/zinc/67/01/92/426670192.db2.gz BNZFHSJKQJYRPF-KRWDZBQOSA-N 1 2 320.389 2.710 20 5 DFBDLO CC(C)c1ccc(C[N@H+]2CCO[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000187545542 426670195 /nfs/dbraw/zinc/67/01/95/426670195.db2.gz BNZFHSJKQJYRPF-KRWDZBQOSA-N 1 2 320.389 2.710 20 5 DFBDLO CCC[N@H+](CC(=O)OC)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000178718406 426681810 /nfs/dbraw/zinc/68/18/10/426681810.db2.gz HVFJPMKFHZQOEF-UHFFFAOYSA-N 1 2 300.742 2.633 20 5 DFBDLO CCC[N@@H+](CC(=O)OC)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000178718406 426681813 /nfs/dbraw/zinc/68/18/13/426681813.db2.gz HVFJPMKFHZQOEF-UHFFFAOYSA-N 1 2 300.742 2.633 20 5 DFBDLO C[C@@](O)(Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000281968488 426803169 /nfs/dbraw/zinc/80/31/69/426803169.db2.gz UEAUJTHYKWHDMA-GFCCVEGCSA-N 1 2 315.251 2.772 20 5 DFBDLO Cn1cc([C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000266982137 426806320 /nfs/dbraw/zinc/80/63/20/426806320.db2.gz ARVVOOCZPICATC-OAHLLOKOSA-N 1 2 304.325 2.805 20 5 DFBDLO Cn1cc([C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000266982137 426806324 /nfs/dbraw/zinc/80/63/24/426806324.db2.gz ARVVOOCZPICATC-OAHLLOKOSA-N 1 2 304.325 2.805 20 5 DFBDLO CCCN1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1=O ZINC000189423269 426852425 /nfs/dbraw/zinc/85/24/25/426852425.db2.gz YAYJWKIAUBSXSL-AWEZNQCLSA-N 1 2 319.405 2.909 20 5 DFBDLO CCCN1CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1=O ZINC000189423269 426852430 /nfs/dbraw/zinc/85/24/30/426852430.db2.gz YAYJWKIAUBSXSL-AWEZNQCLSA-N 1 2 319.405 2.909 20 5 DFBDLO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000268259235 426966639 /nfs/dbraw/zinc/96/66/39/426966639.db2.gz MECWOGVTZBBPIZ-FZMZJTMJSA-N 1 2 301.350 2.582 20 5 DFBDLO COC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCCC1 ZINC000276362391 427044808 /nfs/dbraw/zinc/04/48/08/427044808.db2.gz ZDFKAZWWDHKAFO-UHFFFAOYSA-N 1 2 310.325 2.652 20 5 DFBDLO COC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCCC1 ZINC000276362391 427044812 /nfs/dbraw/zinc/04/48/12/427044812.db2.gz ZDFKAZWWDHKAFO-UHFFFAOYSA-N 1 2 310.325 2.652 20 5 DFBDLO CC(C)(C)n1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)nn1 ZINC000276588347 427106548 /nfs/dbraw/zinc/10/65/48/427106548.db2.gz CUEKPDDGJIDUNI-UHFFFAOYSA-N 1 2 323.784 2.885 20 5 DFBDLO Cc1cc(N)nc(SCc2nc3cc([N+](=O)[O-])ccc3o2)[nH+]1 ZINC000176934859 271171729 /nfs/dbraw/zinc/17/17/29/271171729.db2.gz LEXAJRABLSBLPW-UHFFFAOYSA-N 1 2 317.330 2.709 20 5 DFBDLO Nc1c(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cccc1[N+](=O)[O-] ZINC000178183713 271189279 /nfs/dbraw/zinc/18/92/79/271189279.db2.gz RRIZPTARZFHILK-UHFFFAOYSA-N 1 2 323.312 2.819 20 5 DFBDLO O=C(C=Cc1c[nH]c[nH+]1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000284275945 427172662 /nfs/dbraw/zinc/17/26/62/427172662.db2.gz FCKZXKAQTVLXFY-QPJJXVBHSA-N 1 2 312.329 2.522 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000297570900 271360369 /nfs/dbraw/zinc/36/03/69/271360369.db2.gz GQNCBVJAPBJKGZ-GXFFZTMASA-N 1 2 302.334 2.596 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000183319333 427244551 /nfs/dbraw/zinc/24/45/51/427244551.db2.gz BBVAQWGJWONSDG-CQSZACIVSA-N 1 2 319.386 2.933 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000183319333 427244557 /nfs/dbraw/zinc/24/45/57/427244557.db2.gz BBVAQWGJWONSDG-CQSZACIVSA-N 1 2 319.386 2.933 20 5 DFBDLO Cc1noc([C@H]2CCC[N@@H+]2CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000285514841 427257111 /nfs/dbraw/zinc/25/71/11/427257111.db2.gz DOEPQWSFRUDGLO-CQSZACIVSA-N 1 2 318.333 2.502 20 5 DFBDLO Cc1noc([C@H]2CCC[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000285514841 427257114 /nfs/dbraw/zinc/25/71/14/427257114.db2.gz DOEPQWSFRUDGLO-CQSZACIVSA-N 1 2 318.333 2.502 20 5 DFBDLO CN(C)c1ccc(CNc2ccc3cc([N+](=O)[O-])ccc3n2)c[nH+]1 ZINC000338406453 427306853 /nfs/dbraw/zinc/30/68/53/427306853.db2.gz FVETYBLJQPGLMN-UHFFFAOYSA-N 1 2 323.356 3.216 20 5 DFBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H](CO)C(C)(C)C ZINC000285764952 427332298 /nfs/dbraw/zinc/33/22/98/427332298.db2.gz WHXACFPIAHXMDC-ZDUSSCGKSA-N 1 2 302.321 2.712 20 5 DFBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H](CO)C(C)(C)C ZINC000285764952 427332307 /nfs/dbraw/zinc/33/23/07/427332307.db2.gz WHXACFPIAHXMDC-ZDUSSCGKSA-N 1 2 302.321 2.712 20 5 DFBDLO COC(=O)c1coc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000278152390 427419503 /nfs/dbraw/zinc/41/95/03/427419503.db2.gz AGFKNSLTGQCVHG-JTQLQIEISA-N 1 2 304.302 2.825 20 5 DFBDLO COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000278152394 427419855 /nfs/dbraw/zinc/41/98/55/427419855.db2.gz AGFKNSLTGQCVHG-SNVBAGLBSA-N 1 2 304.302 2.825 20 5 DFBDLO CCOc1cc(C[N@@H+]2CC(C)(C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000331157542 427359173 /nfs/dbraw/zinc/35/91/73/427359173.db2.gz KCBLRVCYJGFJQX-LBPRGKRZSA-N 1 2 308.378 2.993 20 5 DFBDLO CCOc1cc(C[N@H+]2CC(C)(C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000331157542 427359180 /nfs/dbraw/zinc/35/91/80/427359180.db2.gz KCBLRVCYJGFJQX-LBPRGKRZSA-N 1 2 308.378 2.993 20 5 DFBDLO C[C@@H](F)CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000338753954 427468734 /nfs/dbraw/zinc/46/87/34/427468734.db2.gz LENIQPSLWRUKQC-GFCCVEGCSA-N 1 2 311.357 2.587 20 5 DFBDLO Cc1c(C[N@@H+]2CC[S@](=O)C(C)(C)CC2)cccc1[N+](=O)[O-] ZINC000332227670 427553332 /nfs/dbraw/zinc/55/33/32/427553332.db2.gz MUXXUQWBZUIFMN-NRFANRHFSA-N 1 2 310.419 2.636 20 5 DFBDLO Cc1c(C[N@H+]2CC[S@](=O)C(C)(C)CC2)cccc1[N+](=O)[O-] ZINC000332227670 427553340 /nfs/dbraw/zinc/55/33/40/427553340.db2.gz MUXXUQWBZUIFMN-NRFANRHFSA-N 1 2 310.419 2.636 20 5 DFBDLO Cc1cc2[nH+]cn(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])c2cc1C ZINC000192839641 427621988 /nfs/dbraw/zinc/62/19/88/427621988.db2.gz PGIKILFVQXYPEQ-UHFFFAOYSA-N 1 2 324.340 2.709 20 5 DFBDLO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339053948 427652390 /nfs/dbraw/zinc/65/23/90/427652390.db2.gz GSHCCWUHDSKXMO-CZUORRHYSA-N 1 2 322.361 2.512 20 5 DFBDLO O=C(Nc1ccc([N+](=O)[O-])cc1F)c1ccc2[nH+]ccn2c1 ZINC000343203848 272095630 /nfs/dbraw/zinc/09/56/30/272095630.db2.gz HXILCROTCDAKDD-UHFFFAOYSA-N 1 2 300.249 2.634 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000339092391 427672541 /nfs/dbraw/zinc/67/25/41/427672541.db2.gz SVKGGIDSEFDMIM-GOEBONIOSA-N 1 2 316.361 2.770 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000339092393 427672755 /nfs/dbraw/zinc/67/27/55/427672755.db2.gz SVKGGIDSEFDMIM-HOCLYGCPSA-N 1 2 316.361 2.770 20 5 DFBDLO O=[N+]([O-])c1ccc(CC[NH2+][C@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000343504762 272161811 /nfs/dbraw/zinc/16/18/11/272161811.db2.gz CGMPWTYQUBXMMR-INIZCTEOSA-N 1 2 323.356 2.635 20 5 DFBDLO Cc1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)nn1C ZINC000343971733 272245766 /nfs/dbraw/zinc/24/57/66/272245766.db2.gz ZSMAKFQYHQOMTP-UHFFFAOYSA-N 1 2 300.362 2.801 20 5 DFBDLO Cc1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)nn1C ZINC000343971733 272245769 /nfs/dbraw/zinc/24/57/69/272245769.db2.gz ZSMAKFQYHQOMTP-UHFFFAOYSA-N 1 2 300.362 2.801 20 5 DFBDLO COCC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC000339131067 427689967 /nfs/dbraw/zinc/68/99/67/427689967.db2.gz FYULOLZMPDVTIC-GXTWGEPZSA-N 1 2 308.378 2.937 20 5 DFBDLO COCC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC000339131067 427689971 /nfs/dbraw/zinc/68/99/71/427689971.db2.gz FYULOLZMPDVTIC-GXTWGEPZSA-N 1 2 308.378 2.937 20 5 DFBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC(C)(C)O1 ZINC000193797951 427715676 /nfs/dbraw/zinc/71/56/76/427715676.db2.gz HQYMFHSYMWFMIA-SNVBAGLBSA-N 1 2 309.322 2.502 20 5 DFBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC(C)(C)O1 ZINC000193797951 427715678 /nfs/dbraw/zinc/71/56/78/427715678.db2.gz HQYMFHSYMWFMIA-SNVBAGLBSA-N 1 2 309.322 2.502 20 5 DFBDLO CN(C)c1ccccc1C[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339199833 427727974 /nfs/dbraw/zinc/72/79/74/427727974.db2.gz BWAATQRAAWYPLG-UHFFFAOYSA-N 1 2 315.373 2.998 20 5 DFBDLO CN(C)c1ccccc1C[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339199833 427727977 /nfs/dbraw/zinc/72/79/77/427727977.db2.gz BWAATQRAAWYPLG-UHFFFAOYSA-N 1 2 315.373 2.998 20 5 DFBDLO CCc1cc(NC[C@@H](C)CO)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000299098651 427751174 /nfs/dbraw/zinc/75/11/74/427751174.db2.gz YSVAHQHZLCSEDK-LLVKDONJSA-N 1 2 316.361 2.655 20 5 DFBDLO O=[N+]([O-])c1ccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(F)c1 ZINC000301627825 427811191 /nfs/dbraw/zinc/81/11/91/427811191.db2.gz HNJUAKFFOZKYEN-CYBMUJFWSA-N 1 2 303.293 2.787 20 5 DFBDLO O=[N+]([O-])c1cc(F)ccc1N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000301664652 427813536 /nfs/dbraw/zinc/81/35/36/427813536.db2.gz ZJJRAZWFRJWTIM-ZDUSSCGKSA-N 1 2 303.293 2.787 20 5 DFBDLO CN(C)c1ccc(CN(C)c2c(F)cc([N+](=O)[O-])cc2F)c[nH+]1 ZINC000301862870 427830705 /nfs/dbraw/zinc/83/07/05/427830705.db2.gz UJHZVEHLGSYYMG-UHFFFAOYSA-N 1 2 322.315 2.970 20 5 DFBDLO Cc1c[nH+]ccc1CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000301860181 427831193 /nfs/dbraw/zinc/83/11/93/427831193.db2.gz SWMZRTBKKBHCKO-UHFFFAOYSA-N 1 2 303.347 2.662 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000337305386 427833654 /nfs/dbraw/zinc/83/36/54/427833654.db2.gz RFPDIUYLVRZSFT-ZYHUDNBSSA-N 1 2 302.277 2.550 20 5 DFBDLO Nc1nc(NCCc2ccccc2[N+](=O)[O-])[nH+]c2ccccc12 ZINC000301913815 427839063 /nfs/dbraw/zinc/83/90/63/427839063.db2.gz UOEVCKGYPSKDSK-UHFFFAOYSA-N 1 2 309.329 2.775 20 5 DFBDLO Cc1noc(C)c1C[NH+]1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000301937275 427843973 /nfs/dbraw/zinc/84/39/73/427843973.db2.gz QVRLTZUEVCBWHW-UHFFFAOYSA-N 1 2 322.390 2.583 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000355793915 427897295 /nfs/dbraw/zinc/89/72/95/427897295.db2.gz YCNVXHZOXPFMDJ-UHFFFAOYSA-N 1 2 304.325 2.632 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000355793915 427897301 /nfs/dbraw/zinc/89/73/01/427897301.db2.gz YCNVXHZOXPFMDJ-UHFFFAOYSA-N 1 2 304.325 2.632 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCc3nnc(C4CC4)[nH]3)c2c1 ZINC000413323296 428021115 /nfs/dbraw/zinc/02/11/15/428021115.db2.gz HWFVFBWHAAHRDY-UHFFFAOYSA-N 1 2 310.317 2.751 20 5 DFBDLO CCO[C@@H]1C[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)[C@H]1OC ZINC000413237434 427998428 /nfs/dbraw/zinc/99/84/28/427998428.db2.gz RVLBLYROUJPNKX-RRFJBIMHSA-N 1 2 317.345 2.747 20 5 DFBDLO CN(CCc1cccc([N+](=O)[O-])c1)c1cc(NC2CC2)[nH+]cn1 ZINC000413277134 428010111 /nfs/dbraw/zinc/01/01/11/428010111.db2.gz CUXKHJVQKLOHQC-UHFFFAOYSA-N 1 2 313.361 2.638 20 5 DFBDLO CN(CCc1cccc([N+](=O)[O-])c1)c1cc(NC2CC2)nc[nH+]1 ZINC000413277134 428010114 /nfs/dbraw/zinc/01/01/14/428010114.db2.gz CUXKHJVQKLOHQC-UHFFFAOYSA-N 1 2 313.361 2.638 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000370035752 428118166 /nfs/dbraw/zinc/11/81/66/428118166.db2.gz GQPVGORMXXOXDA-MRXNPFEDSA-N 1 2 323.356 2.603 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)CN(Cc1cccc3[nH+]ccn31)CCO2 ZINC000356521818 428215186 /nfs/dbraw/zinc/21/51/86/428215186.db2.gz KSAZXKUKHIYFPG-UHFFFAOYSA-N 1 2 324.340 2.637 20 5 DFBDLO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(F)cc1Cl ZINC000341844208 428227789 /nfs/dbraw/zinc/22/77/89/428227789.db2.gz UNINNKYVKZKOBX-QMMMGPOBSA-N 1 2 312.732 2.972 20 5 DFBDLO Cc1cc(NCc2cccc(-c3[nH]cc[nH+]3)c2)ncc1[N+](=O)[O-] ZINC000341934357 428254314 /nfs/dbraw/zinc/25/43/14/428254314.db2.gz MBVPEHPNNDCFBM-UHFFFAOYSA-N 1 2 309.329 3.300 20 5 DFBDLO CC/C=C\CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000342282121 428381849 /nfs/dbraw/zinc/38/18/49/428381849.db2.gz YKZOMXCEMHOGOR-ARJAWSKDSA-N 1 2 323.418 2.770 20 5 DFBDLO CC(C)c1ccc(C[N@@H+]2CCNC(=O)[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000353284237 428467059 /nfs/dbraw/zinc/46/70/59/428467059.db2.gz UOGBKHHSIGBYLV-MRXNPFEDSA-N 1 2 319.405 2.675 20 5 DFBDLO CC(C)c1ccc(C[N@H+]2CCNC(=O)[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000353284237 428467068 /nfs/dbraw/zinc/46/70/68/428467068.db2.gz UOGBKHHSIGBYLV-MRXNPFEDSA-N 1 2 319.405 2.675 20 5 DFBDLO CCOC(=O)c1coc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000353435370 428533127 /nfs/dbraw/zinc/53/31/27/428533127.db2.gz FJFGYXMJESRGSP-UHFFFAOYSA-N 1 2 318.329 2.997 20 5 DFBDLO CCOC(=O)c1coc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000353435370 428533132 /nfs/dbraw/zinc/53/31/32/428533132.db2.gz FJFGYXMJESRGSP-UHFFFAOYSA-N 1 2 318.329 2.997 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](CCO)C1CCCCC1 ZINC000343194588 428535184 /nfs/dbraw/zinc/53/51/84/428535184.db2.gz LRDXPBOFCUYBNL-HNNXBMFYSA-N 1 2 308.378 2.721 20 5 DFBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000343845912 428579755 /nfs/dbraw/zinc/57/97/55/428579755.db2.gz BESBWMKTBDRQDG-UHFFFAOYSA-N 1 2 315.264 2.500 20 5 DFBDLO CC(C)=CC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353683902 428657159 /nfs/dbraw/zinc/65/71/59/428657159.db2.gz GKNDXSBNNBSIQO-OAHLLOKOSA-N 1 2 300.362 2.974 20 5 DFBDLO Cc1ccc(C[N@@H+]2CCO[C@@H](COCC3CC3)C2)cc1[N+](=O)[O-] ZINC000362524627 428787570 /nfs/dbraw/zinc/78/75/70/428787570.db2.gz IOKVCLAUTZIQHR-MRXNPFEDSA-N 1 2 320.389 2.531 20 5 DFBDLO Cc1ccc(C[N@H+]2CCO[C@@H](COCC3CC3)C2)cc1[N+](=O)[O-] ZINC000362524627 428787576 /nfs/dbraw/zinc/78/75/76/428787576.db2.gz IOKVCLAUTZIQHR-MRXNPFEDSA-N 1 2 320.389 2.531 20 5 DFBDLO CCn1ncnc1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000359057574 428795196 /nfs/dbraw/zinc/79/51/96/428795196.db2.gz SCJLIJVEEMLQIF-CQSZACIVSA-N 1 2 315.377 2.718 20 5 DFBDLO COCc1cnc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000348667054 428811634 /nfs/dbraw/zinc/81/16/34/428811634.db2.gz CPNGGJIZZPWGSH-UHFFFAOYSA-N 1 2 321.402 2.872 20 5 DFBDLO COCc1cnc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000348667054 428811638 /nfs/dbraw/zinc/81/16/38/428811638.db2.gz CPNGGJIZZPWGSH-UHFFFAOYSA-N 1 2 321.402 2.872 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1Cc2ccccc2C2(CCC2)C1 ZINC000375685662 428943636 /nfs/dbraw/zinc/94/36/36/428943636.db2.gz SZHUAUOQKMGLIU-UHFFFAOYSA-N 1 2 312.373 2.766 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1Cc2ccccc2C2(CCC2)C1 ZINC000375685662 428943639 /nfs/dbraw/zinc/94/36/39/428943639.db2.gz SZHUAUOQKMGLIU-UHFFFAOYSA-N 1 2 312.373 2.766 20 5 DFBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)c1 ZINC000363596386 428949338 /nfs/dbraw/zinc/94/93/38/428949338.db2.gz CJJOBWFQMWOBSA-AWEZNQCLSA-N 1 2 306.753 2.892 20 5 DFBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H]2c2ccc(Cl)cc2)c1 ZINC000363596386 428949342 /nfs/dbraw/zinc/94/93/42/428949342.db2.gz CJJOBWFQMWOBSA-AWEZNQCLSA-N 1 2 306.753 2.892 20 5 DFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000433036476 428982336 /nfs/dbraw/zinc/98/23/36/428982336.db2.gz VQCONSDHCVPJJN-FCJGWNNBSA-N 1 2 322.430 2.841 20 5 DFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000433036476 428982344 /nfs/dbraw/zinc/98/23/44/428982344.db2.gz VQCONSDHCVPJJN-FCJGWNNBSA-N 1 2 322.430 2.841 20 5 DFBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)c1 ZINC000451866511 429002729 /nfs/dbraw/zinc/00/27/29/429002729.db2.gz YMXPISLOVDWHHR-AWEZNQCLSA-N 1 2 302.334 2.612 20 5 DFBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)c1 ZINC000451866511 429002733 /nfs/dbraw/zinc/00/27/33/429002733.db2.gz YMXPISLOVDWHHR-AWEZNQCLSA-N 1 2 302.334 2.612 20 5 DFBDLO C[C@@H](CC[S@](C)=O)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413167624 429153431 /nfs/dbraw/zinc/15/34/31/429153431.db2.gz LVPXRMVXDUNMMF-CWKPULSASA-N 1 2 307.375 2.712 20 5 DFBDLO Cc1ccsc1[C@H](CO)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000494631726 429134768 /nfs/dbraw/zinc/13/47/68/429134768.db2.gz QPKDLCTWPBFLHA-LBPRGKRZSA-N 1 2 310.350 2.927 20 5 DFBDLO C[C@H](Cn1cc[nH+]c1)Nc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413093107 429136059 /nfs/dbraw/zinc/13/60/59/429136059.db2.gz NLOLQEBPHRLSBA-MRVPVSSYSA-N 1 2 315.255 2.706 20 5 DFBDLO Cc1nc(CCN(C)c2[nH+]ccc3ccc([N+](=O)[O-])cc32)no1 ZINC000413103574 429138520 /nfs/dbraw/zinc/13/85/20/429138520.db2.gz LZCBTGOPZLVGJW-UHFFFAOYSA-N 1 2 313.317 2.513 20 5 DFBDLO Cc1ccc(Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)c(C)[nH+]1 ZINC000487900955 429171569 /nfs/dbraw/zinc/17/15/69/429171569.db2.gz UUPQCKSMPRGGBY-UHFFFAOYSA-N 1 2 309.325 2.970 20 5 DFBDLO Cc1ccc2[nH+]c(CNC(=O)c3c(C)cccc3[N+](=O)[O-])cn2c1 ZINC000487942051 429174625 /nfs/dbraw/zinc/17/46/25/429174625.db2.gz DOMSPPZVBMBNMG-UHFFFAOYSA-N 1 2 324.340 2.789 20 5 DFBDLO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000364318180 429181611 /nfs/dbraw/zinc/18/16/11/429181611.db2.gz HBUIPXPJANZYAD-UHFFFAOYSA-N 1 2 315.333 2.729 20 5 DFBDLO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000364318180 429181613 /nfs/dbraw/zinc/18/16/13/429181613.db2.gz HBUIPXPJANZYAD-UHFFFAOYSA-N 1 2 315.333 2.729 20 5 DFBDLO Cn1c(CCn2cc([N+](=O)[O-])c(C3CC3)n2)[nH+]c2ccccc21 ZINC000436190045 429186186 /nfs/dbraw/zinc/18/61/86/429186186.db2.gz SJSNRGRUDHFUQW-UHFFFAOYSA-N 1 2 311.345 2.798 20 5 DFBDLO CCCN1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C(C)(C)C1=O ZINC000495250484 429192973 /nfs/dbraw/zinc/19/29/73/429192973.db2.gz UDVYNGWGFYBPBI-UHFFFAOYSA-N 1 2 319.405 2.736 20 5 DFBDLO CCCN1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C(C)(C)C1=O ZINC000495250484 429192976 /nfs/dbraw/zinc/19/29/76/429192976.db2.gz UDVYNGWGFYBPBI-UHFFFAOYSA-N 1 2 319.405 2.736 20 5 DFBDLO O=[N+]([O-])c1ccc(CNc2ccc(N3CCCC3)c[nH+]2)c(F)c1 ZINC000425371601 429279765 /nfs/dbraw/zinc/27/97/65/429279765.db2.gz QLVYTUFMYKZJJD-UHFFFAOYSA-N 1 2 316.336 3.341 20 5 DFBDLO CCc1cc(N)nc(SCc2ccc([N+](=O)[O-])c(OC)c2)[nH+]1 ZINC000447792029 429305735 /nfs/dbraw/zinc/30/57/35/429305735.db2.gz QHMSWPTXQBJQOH-UHFFFAOYSA-N 1 2 320.374 2.830 20 5 DFBDLO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC000449509858 429438302 /nfs/dbraw/zinc/43/83/02/429438302.db2.gz JWXCOQPJXXYWJV-GDBMZVCRSA-N 1 2 310.394 2.679 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(C[NH+](C)C)cs2)c1 ZINC000457305869 429442736 /nfs/dbraw/zinc/44/27/36/429442736.db2.gz DWLULWGNBAKEBH-UHFFFAOYSA-N 1 2 320.374 2.674 20 5 DFBDLO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000449562884 429450065 /nfs/dbraw/zinc/45/00/65/429450065.db2.gz OZADTLCLOHOVNJ-LLVKDONJSA-N 1 2 304.350 2.671 20 5 DFBDLO CC(C)([NH2+]Cc1csc([N+](=O)[O-])c1)c1nnc2n1CCCC2 ZINC000449458034 429424639 /nfs/dbraw/zinc/42/46/39/429424639.db2.gz HDYRFZRDSDZDQQ-UHFFFAOYSA-N 1 2 321.406 2.609 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000428476244 429526368 /nfs/dbraw/zinc/52/63/68/429526368.db2.gz XGINOQHGEKTHKJ-AWEZNQCLSA-N 1 2 319.405 2.592 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000428476244 429526373 /nfs/dbraw/zinc/52/63/73/429526373.db2.gz XGINOQHGEKTHKJ-AWEZNQCLSA-N 1 2 319.405 2.592 20 5 DFBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)C1C[NH+](C2CCCCC2)C1 ZINC000457682528 429506593 /nfs/dbraw/zinc/50/65/93/429506593.db2.gz XFFCTXUYFBUJDY-UHFFFAOYSA-N 1 2 319.361 2.503 20 5 DFBDLO Cc1ccc([C@H](C)NC(=O)C=Cc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000492816192 429620778 /nfs/dbraw/zinc/62/07/78/429620778.db2.gz ZJYVIVBKMNXKLG-GZTOBOFZSA-N 1 2 300.318 2.517 20 5 DFBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@]2(CCCOC2)O1 ZINC000367222506 429599666 /nfs/dbraw/zinc/59/96/66/429599666.db2.gz BCVHHCZIQSYYIY-WBMJQRKESA-N 1 2 324.352 2.504 20 5 DFBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@]2(CCCOC2)O1 ZINC000367222506 429599671 /nfs/dbraw/zinc/59/96/71/429599671.db2.gz BCVHHCZIQSYYIY-WBMJQRKESA-N 1 2 324.352 2.504 20 5 DFBDLO CN(CCCn1cc[nH+]c1)c1nccc2cc([N+](=O)[O-])ccc21 ZINC000450386194 429614132 /nfs/dbraw/zinc/61/41/32/429614132.db2.gz DNHBDPFTJQKDIN-UHFFFAOYSA-N 1 2 311.345 2.866 20 5 DFBDLO COC(=O)c1csc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000450673423 429674851 /nfs/dbraw/zinc/67/48/51/429674851.db2.gz KIIYXLKNEHYZRY-SECBINFHSA-N 1 2 321.358 2.689 20 5 DFBDLO CCn1cc[nH+]c1[C@@H](C)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000450832918 429710426 /nfs/dbraw/zinc/71/04/26/429710426.db2.gz RYUYBZLUVGKFNR-LLVKDONJSA-N 1 2 311.345 3.533 20 5 DFBDLO CNc1ccc(Nc2ccc([N+](=O)[O-])cc2Br)c[nH+]1 ZINC000478360166 429720076 /nfs/dbraw/zinc/72/00/76/429720076.db2.gz XWVYDWVUJYMTQU-UHFFFAOYSA-N 1 2 323.150 3.538 20 5 DFBDLO CCOC(=O)C[N@H+](CC)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000527304159 429742231 /nfs/dbraw/zinc/74/22/31/429742231.db2.gz OMBKEZYAXJTKFL-LCYFTJDESA-N 1 2 306.362 2.883 20 5 DFBDLO CCOC(=O)C[N@@H+](CC)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000527304159 429742234 /nfs/dbraw/zinc/74/22/34/429742234.db2.gz OMBKEZYAXJTKFL-LCYFTJDESA-N 1 2 306.362 2.883 20 5 DFBDLO COc1cc[nH+]cc1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000431500317 429767219 /nfs/dbraw/zinc/76/72/19/429767219.db2.gz QCEAWVZFUFXNAZ-UHFFFAOYSA-N 1 2 317.330 2.615 20 5 DFBDLO C[C@H]1Cc2[nH+]cn(Cc3cc(O)ccc3[N+](=O)[O-])c2C[C@@H]1C ZINC000451337747 429814290 /nfs/dbraw/zinc/81/42/90/429814290.db2.gz GPQARQSWBATIMZ-QWRGUYRKSA-N 1 2 301.346 2.916 20 5 DFBDLO O=[N+]([O-])c1cnn([C@H]2CCCN(c3cc[nH+]c4ccncc43)C2)c1 ZINC000369019148 429907608 /nfs/dbraw/zinc/90/76/08/429907608.db2.gz ODBOQBVEIXJLRU-LBPRGKRZSA-N 1 2 324.344 2.576 20 5 DFBDLO Cc1ccc([C@H](C)[NH2+][C@H](C)c2nccc(N)n2)cc1[N+](=O)[O-] ZINC000577572706 430115240 /nfs/dbraw/zinc/11/52/40/430115240.db2.gz DVJFOLIKQUHMNG-WDEREUQCSA-N 1 2 301.350 2.687 20 5 DFBDLO COCCN1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000245524486 277225654 /nfs/dbraw/zinc/22/56/54/277225654.db2.gz NQGSZTYMFSSKQH-LSDHHAIUSA-N 1 2 321.421 2.617 20 5 DFBDLO COCCN1CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000245524486 277225655 /nfs/dbraw/zinc/22/56/55/277225655.db2.gz NQGSZTYMFSSKQH-LSDHHAIUSA-N 1 2 321.421 2.617 20 5 DFBDLO O=[N+]([O-])c1cc2c(nc1NCCNc1cccc[nH+]1)CCCC2 ZINC000581545655 430219182 /nfs/dbraw/zinc/21/91/82/430219182.db2.gz VJNFTCSFOKKFPF-UHFFFAOYSA-N 1 2 313.361 2.788 20 5 DFBDLO COC(=O)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000543547168 430251796 /nfs/dbraw/zinc/25/17/96/430251796.db2.gz RUHUPTWQKOOGEB-INIZCTEOSA-N 1 2 320.389 2.849 20 5 DFBDLO O=C1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C2(CCC2)C1 ZINC000568763295 430389443 /nfs/dbraw/zinc/38/94/43/430389443.db2.gz FAUIIWIRPBDLEP-UHFFFAOYSA-N 1 2 304.346 2.561 20 5 DFBDLO O=C1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C2(CCC2)C1 ZINC000568763295 430389448 /nfs/dbraw/zinc/38/94/48/430389448.db2.gz FAUIIWIRPBDLEP-UHFFFAOYSA-N 1 2 304.346 2.561 20 5 DFBDLO COC1CC(CCNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000596308176 430513047 /nfs/dbraw/zinc/51/30/47/430513047.db2.gz GNSOHYYOBIRZJG-UHFFFAOYSA-N 1 2 301.346 3.370 20 5 DFBDLO CC(C)n1cc[nH+]c1CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131272625 278136470 /nfs/dbraw/zinc/13/64/70/278136470.db2.gz QCRNTUXGYKXWDH-UHFFFAOYSA-N 1 2 300.362 2.931 20 5 DFBDLO Cc1cccc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000369084788 281226100 /nfs/dbraw/zinc/22/61/00/281226100.db2.gz OBECJVWYLCUCMD-OAHLLOKOSA-N 1 2 316.361 2.576 20 5 DFBDLO Cc1cn2c([nH+]1)CN(c1ccc([N+](=O)[O-])c3cnccc31)CC2 ZINC000371703207 281545949 /nfs/dbraw/zinc/54/59/49/281545949.db2.gz JQVVVSCLIKIVCR-UHFFFAOYSA-N 1 2 309.329 2.668 20 5 DFBDLO C[C@@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@@H](c2ccco2)C1 ZINC000363355274 289082205 /nfs/dbraw/zinc/08/22/05/289082205.db2.gz FQAGAJCDKNKXAF-VXGBXAGGSA-N 1 2 304.350 2.895 20 5 DFBDLO C[C@@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)[C@@H](c2ccco2)C1 ZINC000363355274 289082208 /nfs/dbraw/zinc/08/22/08/289082208.db2.gz FQAGAJCDKNKXAF-VXGBXAGGSA-N 1 2 304.350 2.895 20 5 DFBDLO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1ncn(C)n1 ZINC000279086496 290039788 /nfs/dbraw/zinc/03/97/88/290039788.db2.gz NBMSLOXANSVDIU-HZMBPMFUSA-N 1 2 315.377 2.797 20 5 DFBDLO Cn1cc[nH+]c1[C@@H]1N(Cc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000294825423 294424431 /nfs/dbraw/zinc/42/44/31/294424431.db2.gz PLEGZHJYGQXBPR-AWEZNQCLSA-N 1 2 300.362 2.911 20 5 DFBDLO Cn1c[nH+]cc1COc1ccc(Br)cc1[N+](=O)[O-] ZINC000439561917 297132109 /nfs/dbraw/zinc/13/21/09/297132109.db2.gz PJWISADALQWBPI-UHFFFAOYSA-N 1 2 312.123 2.670 20 5 DFBDLO CN(C)c1ccc(CNc2c(F)cc([N+](=O)[O-])cc2F)c[nH+]1 ZINC000440588346 297157905 /nfs/dbraw/zinc/15/79/05/297157905.db2.gz NSRUPJWXRIYMNQ-UHFFFAOYSA-N 1 2 308.288 2.946 20 5 DFBDLO C[C@H]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000444462490 297236990 /nfs/dbraw/zinc/23/69/90/297236990.db2.gz DCUVSSYSFOLNBQ-WCQYABFASA-N 1 2 314.345 2.699 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(Nc2ccc(N3CCOCC3)[nH+]c2)c1 ZINC000446886571 297289672 /nfs/dbraw/zinc/28/96/72/297289672.db2.gz HCQQYFLFKZTWSD-UHFFFAOYSA-N 1 2 314.345 2.878 20 5 DFBDLO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](c2ncc[nH]2)c2ccccn2)cc1 ZINC000447544794 297307420 /nfs/dbraw/zinc/30/74/20/297307420.db2.gz WHBOLEYKSURJBU-MRXNPFEDSA-N 1 2 323.356 2.635 20 5 DFBDLO CC[C@@H](C)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448793783 297369116 /nfs/dbraw/zinc/36/91/16/297369116.db2.gz SXVDURFJTHJLAT-VXGBXAGGSA-N 1 2 316.361 2.945 20 5 DFBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000449057222 297398207 /nfs/dbraw/zinc/39/82/07/297398207.db2.gz BFLNHPFINMFIOP-RYUDHWBXSA-N 1 2 308.378 2.846 20 5 DFBDLO CC/C=C\C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000449463410 297472715 /nfs/dbraw/zinc/47/27/15/297472715.db2.gz WXPRILCGIBHXKV-FOSCPCJNSA-N 1 2 300.362 2.974 20 5 DFBDLO C[C@H]1C[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)c2[nH+]ccn21 ZINC000450825182 297695301 /nfs/dbraw/zinc/69/53/01/297695301.db2.gz XWBKQLFJOMZTLZ-IONNQARKSA-N 1 2 316.346 2.914 20 5 DFBDLO Cc1ccc(NC(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000454139933 298125521 /nfs/dbraw/zinc/12/55/21/298125521.db2.gz FHDORXXUNHLYEG-PWSUYJOCSA-N 1 2 315.333 2.927 20 5 DFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000454142583 298125979 /nfs/dbraw/zinc/12/59/79/298125979.db2.gz RXVWINAVKOSRQQ-SNVBAGLBSA-N 1 2 303.322 2.694 20 5 DFBDLO Cc1c(NC(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)cccc1[N+](=O)[O-] ZINC000454203320 298135249 /nfs/dbraw/zinc/13/52/49/298135249.db2.gz QSNMPEXPWWEZNY-JOYOIKCWSA-N 1 2 315.333 2.927 20 5 DFBDLO O=C(C[NH+]1C2CCC1CC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000532466662 301154098 /nfs/dbraw/zinc/15/40/98/301154098.db2.gz IMCJYZKGXQHQRM-UHFFFAOYSA-N 1 2 309.753 2.814 20 5 DFBDLO COCc1nc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cs1 ZINC000566688508 302304834 /nfs/dbraw/zinc/30/48/34/302304834.db2.gz BRASAAISLIGQKB-CYBMUJFWSA-N 1 2 319.386 2.975 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1NCCCCn1cc[nH+]c1)CCN2 ZINC000570354080 302569599 /nfs/dbraw/zinc/56/95/99/302569599.db2.gz ODKPFZYYKXQXKX-UHFFFAOYSA-N 1 2 301.350 2.652 20 5 DFBDLO Cc1csc([C@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000184183559 316160872 /nfs/dbraw/zinc/16/08/72/316160872.db2.gz VXDBWFDSXVMFED-JTQLQIEISA-N 1 2 320.374 2.649 20 5 DFBDLO C[C@@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448916242 317028110 /nfs/dbraw/zinc/02/81/10/317028110.db2.gz GEZNAFRKEGRQJO-YPMHNXCESA-N 1 2 314.345 2.699 20 5 DFBDLO CC1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCC1 ZINC000450056966 317056206 /nfs/dbraw/zinc/05/62/06/317056206.db2.gz CFHVOCSSMKQQPJ-UHFFFAOYSA-N 1 2 314.345 2.701 20 5 DFBDLO CC1=CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000450236489 317074142 /nfs/dbraw/zinc/07/41/42/317074142.db2.gz BWPOLZZKUKETKE-UHFFFAOYSA-N 1 2 312.329 2.573 20 5 DFBDLO CC(C)[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000559039839 317888198 /nfs/dbraw/zinc/88/81/98/317888198.db2.gz YJTHJPRMGVBHRK-SMDDNHRTSA-N 1 2 316.361 2.935 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000575967917 318094906 /nfs/dbraw/zinc/09/49/06/318094906.db2.gz JIUKUVQNOYAMOO-MLGOLLRUSA-N 1 2 318.373 2.644 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000575967917 318094909 /nfs/dbraw/zinc/09/49/09/318094909.db2.gz JIUKUVQNOYAMOO-MLGOLLRUSA-N 1 2 318.373 2.644 20 5 DFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000578416813 318258728 /nfs/dbraw/zinc/25/87/28/318258728.db2.gz JDAKVRWBAWOSPL-RYUDHWBXSA-N 1 2 316.361 2.792 20 5 DFBDLO NC(=O)[C@@H]1CCC[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599047465 501033911 /nfs/dbraw/zinc/03/39/11/501033911.db2.gz XZZMWCZHVOSBCG-ZYHUDNBSSA-N 1 2 314.345 2.599 20 5 DFBDLO Cc1csc([C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CCO2)n1 ZINC000157060081 526422951 /nfs/dbraw/zinc/42/29/51/526422951.db2.gz OVFIUULVSVDSIH-AWEZNQCLSA-N 1 2 319.386 2.933 20 5 DFBDLO Cc1csc([C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CCO2)n1 ZINC000157060081 526422960 /nfs/dbraw/zinc/42/29/60/526422960.db2.gz OVFIUULVSVDSIH-AWEZNQCLSA-N 1 2 319.386 2.933 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000361590202 536454994 /nfs/dbraw/zinc/45/49/94/536454994.db2.gz TVFFKPFYGTVNPK-NXEZZACHSA-N 1 2 320.315 2.881 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000361590202 536454996 /nfs/dbraw/zinc/45/49/96/536454996.db2.gz TVFFKPFYGTVNPK-NXEZZACHSA-N 1 2 320.315 2.881 20 5 DFBDLO CC(C)(CCC(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1)[N+](=O)[O-] ZINC000294590468 527006421 /nfs/dbraw/zinc/00/64/21/527006421.db2.gz VTJPJWFABZFOHB-UHFFFAOYSA-N 1 2 320.324 2.785 20 5 DFBDLO CC(C)[N@H+](Cc1ccco1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000299395658 528959384 /nfs/dbraw/zinc/95/93/84/528959384.db2.gz UCOPEMHBYCNQPS-UHFFFAOYSA-N 1 2 317.345 2.697 20 5 DFBDLO CC(C)[N@@H+](Cc1ccco1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000299395658 528959388 /nfs/dbraw/zinc/95/93/88/528959388.db2.gz UCOPEMHBYCNQPS-UHFFFAOYSA-N 1 2 317.345 2.697 20 5 DFBDLO CC[C@@H](CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1)OC ZINC000357776316 535747212 /nfs/dbraw/zinc/74/72/12/535747212.db2.gz UHXKGICJCZYPLU-AWEZNQCLSA-N 1 2 316.361 2.619 20 5 DFBDLO CC[C@@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000362660785 535857369 /nfs/dbraw/zinc/85/73/69/535857369.db2.gz AYXSRGFMOTXNAT-GFCCVEGCSA-N 1 2 313.785 2.771 20 5 DFBDLO CC[C@@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000362660785 535857372 /nfs/dbraw/zinc/85/73/72/535857372.db2.gz AYXSRGFMOTXNAT-GFCCVEGCSA-N 1 2 313.785 2.771 20 5 DFBDLO O=[N+]([O-])c1ccc(N2CCC3CCC(C2)[NH2+]3)cc1C(F)(F)F ZINC000316985237 231155842 /nfs/dbraw/zinc/15/58/42/231155842.db2.gz MCGCTDSFJRZFGM-ZJUUUORDSA-N 1 2 315.295 2.944 20 5 DFBDLO CCn1cc[nH+]c1CNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000294905384 529580362 /nfs/dbraw/zinc/58/03/62/529580362.db2.gz FEXYUEIHWIBHQC-UHFFFAOYSA-N 1 2 318.333 2.518 20 5 DFBDLO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000090223821 185287274 /nfs/dbraw/zinc/28/72/74/185287274.db2.gz JYNZKADSYFXQGD-BXUZGUMPSA-N 1 2 315.377 2.989 20 5 DFBDLO CC[C@H](NC(=O)N(C)Cc1c[nH+]c[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000596456935 398417193 /nfs/dbraw/zinc/41/71/93/398417193.db2.gz VMRRUTGGVUGIHG-AWEZNQCLSA-N 1 2 317.349 2.611 20 5 DFBDLO CC[C@H](NC(=O)N(C)Cc1c[nH]c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000596456935 398417196 /nfs/dbraw/zinc/41/71/96/398417196.db2.gz VMRRUTGGVUGIHG-AWEZNQCLSA-N 1 2 317.349 2.611 20 5 DFBDLO COCc1noc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000183096969 199536055 /nfs/dbraw/zinc/53/60/55/199536055.db2.gz MGMYCSFPKZWBMX-QWRGUYRKSA-N 1 2 320.349 2.844 20 5 DFBDLO Cc1c(NC(=O)N[C@H](C)c2[nH+]ccn2C)cccc1[N+](=O)[O-] ZINC000596635534 398467091 /nfs/dbraw/zinc/46/70/91/398467091.db2.gz MDHXCJRSPQLUPO-SNVBAGLBSA-N 1 2 303.322 2.519 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCSC(C)(C)C1 ZINC000083416160 192369215 /nfs/dbraw/zinc/36/92/15/192369215.db2.gz RHPWEUSJGDDHGE-UHFFFAOYSA-N 1 2 323.418 2.669 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCSC(C)(C)C1 ZINC000083416160 192369217 /nfs/dbraw/zinc/36/92/17/192369217.db2.gz RHPWEUSJGDDHGE-UHFFFAOYSA-N 1 2 323.418 2.669 20 5 DFBDLO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000277933175 213865769 /nfs/dbraw/zinc/86/57/69/213865769.db2.gz NQJGQUGJQYBMAA-JTQLQIEISA-N 1 2 322.752 2.572 20 5 DFBDLO O=[N+]([O-])c1cc(F)ccc1NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000068320658 398494512 /nfs/dbraw/zinc/49/45/12/398494512.db2.gz MWILIEUPGMJLQT-UHFFFAOYSA-N 1 2 313.292 2.927 20 5 DFBDLO C[C@H]([NH2+]Cc1cc2n(n1)CCCC2)c1ccccc1[N+](=O)[O-] ZINC000593020217 398522182 /nfs/dbraw/zinc/52/21/82/398522182.db2.gz CZQUYUKYZWMCGW-LBPRGKRZSA-N 1 2 300.362 2.978 20 5 DFBDLO Cc1cccc(C(=O)NCc2cn3c(cccc3C)[nH+]2)c1[N+](=O)[O-] ZINC000068570329 282491571 /nfs/dbraw/zinc/49/15/71/282491571.db2.gz ZRTNFLFWFYEKKZ-UHFFFAOYSA-N 1 2 324.340 2.789 20 5 DFBDLO O=[N+]([O-])c1cncc(Cl)c1Nc1ccc(N2CCCC2)[nH+]c1 ZINC000589103743 398526765 /nfs/dbraw/zinc/52/67/65/398526765.db2.gz VSSTVOZWDYRRBH-UHFFFAOYSA-N 1 2 319.752 2.804 20 5 DFBDLO CC(C)(C)CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032245986 398527669 /nfs/dbraw/zinc/52/76/69/398527669.db2.gz CMQOQVKDXPQFOE-UHFFFAOYSA-N 1 2 316.361 2.947 20 5 DFBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000596913587 398528732 /nfs/dbraw/zinc/52/87/32/398528732.db2.gz ZVGQWQJJAMHKPY-JTQLQIEISA-N 1 2 317.349 2.773 20 5 DFBDLO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000593058070 398533549 /nfs/dbraw/zinc/53/35/49/398533549.db2.gz IUFQNJNIEXCZDK-CYBMUJFWSA-N 1 2 308.378 2.993 20 5 DFBDLO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000593058070 398533552 /nfs/dbraw/zinc/53/35/52/398533552.db2.gz IUFQNJNIEXCZDK-CYBMUJFWSA-N 1 2 308.378 2.993 20 5 DFBDLO Cc1ccc(C[NH+]2CC(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000459590120 299142126 /nfs/dbraw/zinc/14/21/26/299142126.db2.gz JCOGQBPXJCENNM-UHFFFAOYSA-N 1 2 306.362 2.677 20 5 DFBDLO Cc1cc(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000593174492 398564484 /nfs/dbraw/zinc/56/44/84/398564484.db2.gz DFXUQRUEPOCKFI-UHFFFAOYSA-N 1 2 317.320 2.605 20 5 DFBDLO COCc1cc[nH+]c(NCc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000593222138 398573806 /nfs/dbraw/zinc/57/38/06/398573806.db2.gz HRKHJJLKQFYFMM-UHFFFAOYSA-N 1 2 303.318 2.757 20 5 DFBDLO CNc1ccc(Nc2ccc([N+](=O)[O-])c(C(=O)OC)c2)c[nH+]1 ZINC000092612344 398587135 /nfs/dbraw/zinc/58/71/35/398587135.db2.gz SFFCTGAFWNZXNE-UHFFFAOYSA-N 1 2 302.290 2.562 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000590053341 398592399 /nfs/dbraw/zinc/59/23/99/398592399.db2.gz WXDJNMLGSJFBID-AWEZNQCLSA-N 1 2 306.362 2.549 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000590053341 398592401 /nfs/dbraw/zinc/59/24/01/398592401.db2.gz WXDJNMLGSJFBID-AWEZNQCLSA-N 1 2 306.362 2.549 20 5 DFBDLO CCC(=O)c1ccc(N[C@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000280003538 215304505 /nfs/dbraw/zinc/30/45/05/215304505.db2.gz IAWGIHVYASLJGD-LLVKDONJSA-N 1 2 302.334 2.885 20 5 DFBDLO Cn1cccc1C(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000155704814 186104770 /nfs/dbraw/zinc/10/47/70/186104770.db2.gz IZYOCWOSPVTMAT-UHFFFAOYSA-N 1 2 313.357 2.781 20 5 DFBDLO Cn1cccc1C(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000155704814 186104771 /nfs/dbraw/zinc/10/47/71/186104771.db2.gz IZYOCWOSPVTMAT-UHFFFAOYSA-N 1 2 313.357 2.781 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000072771249 398636210 /nfs/dbraw/zinc/63/62/10/398636210.db2.gz FIBDQTHRXZKFGE-TXEJJXNPSA-N 1 2 323.418 2.668 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000072771249 398636212 /nfs/dbraw/zinc/63/62/12/398636212.db2.gz FIBDQTHRXZKFGE-TXEJJXNPSA-N 1 2 323.418 2.668 20 5 DFBDLO CC(C)CCO[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093476012 398639395 /nfs/dbraw/zinc/63/93/95/398639395.db2.gz GKWQLIDVDLEMCN-OAHLLOKOSA-N 1 2 308.378 2.937 20 5 DFBDLO CC(C)CCO[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000093476012 398639399 /nfs/dbraw/zinc/63/93/99/398639399.db2.gz GKWQLIDVDLEMCN-OAHLLOKOSA-N 1 2 308.378 2.937 20 5 DFBDLO CC[C@H]1C[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CCS1 ZINC000072862582 398643004 /nfs/dbraw/zinc/64/30/04/398643004.db2.gz HWAXVWBGIBKALH-LBPRGKRZSA-N 1 2 323.418 2.669 20 5 DFBDLO CC[C@H]1C[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CCS1 ZINC000072862582 398643005 /nfs/dbraw/zinc/64/30/05/398643005.db2.gz HWAXVWBGIBKALH-LBPRGKRZSA-N 1 2 323.418 2.669 20 5 DFBDLO COC(=O)[C@@]1(C)CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000189988045 186259619 /nfs/dbraw/zinc/25/96/19/186259619.db2.gz VSRHBOUFXBWSIE-CDVVCGDMSA-N 1 2 304.346 2.636 20 5 DFBDLO COC(=O)[C@@]1(C)CCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000189988045 186259620 /nfs/dbraw/zinc/25/96/20/186259620.db2.gz VSRHBOUFXBWSIE-CDVVCGDMSA-N 1 2 304.346 2.636 20 5 DFBDLO Cc1cn2c([nH+]1)CN(c1nccc3cc([N+](=O)[O-])ccc31)CC2 ZINC000590696806 398654497 /nfs/dbraw/zinc/65/44/97/398654497.db2.gz QAMUSBCAZUXVPI-UHFFFAOYSA-N 1 2 309.329 2.668 20 5 DFBDLO Cn1cc[nH+]c1[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1ccccc1 ZINC000073050164 398658055 /nfs/dbraw/zinc/65/80/55/398658055.db2.gz TVVOTQRFMVBBLX-HNNXBMFYSA-N 1 2 309.329 2.925 20 5 DFBDLO C[C@H]1C[C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)c2[nH+]ccn21 ZINC000590723708 398658970 /nfs/dbraw/zinc/65/89/70/398658970.db2.gz CJJRYGSXJWNCQU-TVQRCGJNSA-N 1 2 310.317 2.852 20 5 DFBDLO Cc1ccc(C[N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000073150586 191285471 /nfs/dbraw/zinc/28/54/71/191285471.db2.gz UKRHTCNEFOWWLA-UHFFFAOYSA-N 1 2 317.345 2.591 20 5 DFBDLO Cc1ccc(C[N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000073150586 191285472 /nfs/dbraw/zinc/28/54/72/191285472.db2.gz UKRHTCNEFOWWLA-UHFFFAOYSA-N 1 2 317.345 2.591 20 5 DFBDLO CC[C@@H](C)CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000597976334 398731643 /nfs/dbraw/zinc/73/16/43/398731643.db2.gz UVGUCKYEGWFSHF-GFCCVEGCSA-N 1 2 316.361 2.947 20 5 DFBDLO Cc1csc(N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000047890553 398762490 /nfs/dbraw/zinc/76/24/90/398762490.db2.gz TXDSHKVCEUUABP-UHFFFAOYSA-N 1 2 318.402 2.682 20 5 DFBDLO CCOc1cc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000276836829 213123884 /nfs/dbraw/zinc/12/38/84/213123884.db2.gz BVXZUYBIFUFSDP-DZGCQCFKSA-N 1 2 306.362 2.747 20 5 DFBDLO CCOc1cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000276836829 213123886 /nfs/dbraw/zinc/12/38/86/213123886.db2.gz BVXZUYBIFUFSDP-DZGCQCFKSA-N 1 2 306.362 2.747 20 5 DFBDLO CCOc1cc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000276836839 213123524 /nfs/dbraw/zinc/12/35/24/213123524.db2.gz BVXZUYBIFUFSDP-UKRRQHHQSA-N 1 2 306.362 2.747 20 5 DFBDLO CCOc1cc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000276836839 213123527 /nfs/dbraw/zinc/12/35/27/213123527.db2.gz BVXZUYBIFUFSDP-UKRRQHHQSA-N 1 2 306.362 2.747 20 5 DFBDLO Cc1ccoc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000292354891 223016164 /nfs/dbraw/zinc/01/61/64/223016164.db2.gz PZYSFWPGEJAPHF-GFCCVEGCSA-N 1 2 317.345 2.955 20 5 DFBDLO Cc1ccoc1C[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000292354891 223016168 /nfs/dbraw/zinc/01/61/68/223016168.db2.gz PZYSFWPGEJAPHF-GFCCVEGCSA-N 1 2 317.345 2.955 20 5 DFBDLO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])c2C1 ZINC000076171059 398845396 /nfs/dbraw/zinc/84/53/96/398845396.db2.gz JUNKORYTAYIEPT-BBRMVZONSA-N 1 2 317.389 2.652 20 5 DFBDLO CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])c2C1 ZINC000076171059 398845401 /nfs/dbraw/zinc/84/54/01/398845401.db2.gz JUNKORYTAYIEPT-BBRMVZONSA-N 1 2 317.389 2.652 20 5 DFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000134829256 398867961 /nfs/dbraw/zinc/86/79/61/398867961.db2.gz QBBZSTIOHRANJD-UHFFFAOYSA-N 1 2 323.312 2.941 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCNc1cccc[nH+]1 ZINC000136179088 398873699 /nfs/dbraw/zinc/87/36/99/398873699.db2.gz AEWVGXKUSRMYPX-UHFFFAOYSA-N 1 2 314.345 2.530 20 5 DFBDLO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000135571805 398871311 /nfs/dbraw/zinc/87/13/11/398871311.db2.gz MCOQBYBMXISRNG-CQSZACIVSA-N 1 2 318.352 2.977 20 5 DFBDLO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000135571805 398871313 /nfs/dbraw/zinc/87/13/13/398871313.db2.gz MCOQBYBMXISRNG-CQSZACIVSA-N 1 2 318.352 2.977 20 5 DFBDLO C[C@@H]([NH2+]Cc1cn(C(C)(C)C)nn1)c1ccccc1[N+](=O)[O-] ZINC000276622320 213006958 /nfs/dbraw/zinc/00/69/58/213006958.db2.gz LTIRAPNRXNYSQY-LLVKDONJSA-N 1 2 303.366 2.792 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CCO)c1ccco1 ZINC000595031717 398895318 /nfs/dbraw/zinc/89/53/18/398895318.db2.gz BWNIXHQUXIGLGA-SMDDNHRTSA-N 1 2 320.345 2.971 20 5 DFBDLO CC[C@H]([NH2+][C@H]1C[C@@H](C)n2ncnc21)c1cccc([N+](=O)[O-])c1 ZINC000595063003 398900543 /nfs/dbraw/zinc/90/05/43/398900543.db2.gz BQJWEGMCZCAYPU-SWHYSGLUSA-N 1 2 301.350 2.933 20 5 DFBDLO Cc1c([C@H](C)[NH2+][C@@H]2C[C@H](C)n3ncnc32)cccc1[N+](=O)[O-] ZINC000595067305 398901423 /nfs/dbraw/zinc/90/14/23/398901423.db2.gz LPBQNKJTSPRGTG-XHVZSJERSA-N 1 2 301.350 2.851 20 5 DFBDLO CCc1ccc([C@@H]([NH2+]C/C=C/CO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000595068548 398902148 /nfs/dbraw/zinc/90/21/48/398902148.db2.gz IVYSGVLEVKZJGR-IDOMTICXSA-N 1 2 316.357 2.978 20 5 DFBDLO COc1ccnc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1F ZINC000595080353 398902570 /nfs/dbraw/zinc/90/25/70/398902570.db2.gz KQQFKYGVENCWOS-JTQLQIEISA-N 1 2 305.309 2.988 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000595075645 398902861 /nfs/dbraw/zinc/90/28/61/398902861.db2.gz ZXXAYPNAGNNZPH-KWBADKCTSA-N 1 2 317.349 2.552 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)c1nccn1C ZINC000595106790 398906322 /nfs/dbraw/zinc/90/63/22/398906322.db2.gz LHTXVUPWASABLP-GHMZBOCLSA-N 1 2 304.350 2.749 20 5 DFBDLO CC(=O)N1CCC(Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599020331 398908732 /nfs/dbraw/zinc/90/87/32/398908732.db2.gz LOQFPQJCHDEKSN-UHFFFAOYSA-N 1 2 314.345 2.566 20 5 DFBDLO Cc1cc(C2([NH2+]Cc3csc([N+](=O)[O-])c3)CCOCC2)on1 ZINC000599020876 398908762 /nfs/dbraw/zinc/90/87/62/398908762.db2.gz QEVDSYLBNLIGAN-UHFFFAOYSA-N 1 2 323.374 2.748 20 5 DFBDLO O=[N+]([O-])c1c(N[C@H]2CCc3n[nH]cc3C2)ccc2c[nH+]ccc21 ZINC000599045323 398912088 /nfs/dbraw/zinc/91/20/88/398912088.db2.gz WCRBJLJJUSFICC-LBPRGKRZSA-N 1 2 309.329 2.836 20 5 DFBDLO C[C@H](CC[S@@](C)=O)Nc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599054516 398914052 /nfs/dbraw/zinc/91/40/52/398914052.db2.gz YRQLMUOVIHESFJ-LADRHHBVSA-N 1 2 307.375 2.712 20 5 DFBDLO Cc1nc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c(C)o1 ZINC000595289052 398915658 /nfs/dbraw/zinc/91/56/58/398915658.db2.gz CRCFPUATNZCSIM-UHFFFAOYSA-N 1 2 316.361 2.522 20 5 DFBDLO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595295316 398917618 /nfs/dbraw/zinc/91/76/18/398917618.db2.gz XWELCLACUDBCNS-CQSZACIVSA-N 1 2 323.368 2.567 20 5 DFBDLO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595295316 398917620 /nfs/dbraw/zinc/91/76/20/398917620.db2.gz XWELCLACUDBCNS-CQSZACIVSA-N 1 2 323.368 2.567 20 5 DFBDLO COCC[N@H+](Cc1cccs1)Cc1onc(C)c1[N+](=O)[O-] ZINC000595289875 398916693 /nfs/dbraw/zinc/91/66/93/398916693.db2.gz WGUYYXFTTSQGJK-UHFFFAOYSA-N 1 2 311.363 2.601 20 5 DFBDLO COCC[N@@H+](Cc1cccs1)Cc1onc(C)c1[N+](=O)[O-] ZINC000595289875 398916694 /nfs/dbraw/zinc/91/66/94/398916694.db2.gz WGUYYXFTTSQGJK-UHFFFAOYSA-N 1 2 311.363 2.601 20 5 DFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000599085873 398918747 /nfs/dbraw/zinc/91/87/47/398918747.db2.gz FNLCKPXXHGCWTC-BFHYXJOUSA-N 1 2 313.357 2.740 20 5 DFBDLO Cc1cc(C)n([C@H]2CCC[N@H+](Cc3onc(C)c3[N+](=O)[O-])C2)n1 ZINC000595310851 398921056 /nfs/dbraw/zinc/92/10/56/398921056.db2.gz ITWRDUZWWADMJI-ZDUSSCGKSA-N 1 2 319.365 2.542 20 5 DFBDLO Cc1cc(C)n([C@H]2CCC[N@@H+](Cc3onc(C)c3[N+](=O)[O-])C2)n1 ZINC000595310851 398921058 /nfs/dbraw/zinc/92/10/58/398921058.db2.gz ITWRDUZWWADMJI-ZDUSSCGKSA-N 1 2 319.365 2.542 20 5 DFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000599100928 398921447 /nfs/dbraw/zinc/92/14/47/398921447.db2.gz FNLCKPXXHGCWTC-HZSPNIEDSA-N 1 2 313.357 2.740 20 5 DFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCCc2n[nH]cc2C1 ZINC000599111320 398922544 /nfs/dbraw/zinc/92/25/44/398922544.db2.gz OGAYWQXYNWXGHZ-UHFFFAOYSA-N 1 2 309.329 2.819 20 5 DFBDLO Cc1noc(C[N@H+]2CCCC[C@@H]2c2cccn2C)c1[N+](=O)[O-] ZINC000595337026 398923562 /nfs/dbraw/zinc/92/35/62/398923562.db2.gz KNFUPRPYVYEDPR-CYBMUJFWSA-N 1 2 304.350 2.957 20 5 DFBDLO Cc1noc(C[N@@H+]2CCCC[C@@H]2c2cccn2C)c1[N+](=O)[O-] ZINC000595337026 398923564 /nfs/dbraw/zinc/92/35/64/398923564.db2.gz KNFUPRPYVYEDPR-CYBMUJFWSA-N 1 2 304.350 2.957 20 5 DFBDLO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)[nH]1 ZINC000595349458 398926155 /nfs/dbraw/zinc/92/61/55/398926155.db2.gz YDDVPWFVNPRVRE-LBPRGKRZSA-N 1 2 319.340 2.540 20 5 DFBDLO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)[nH]1 ZINC000595349458 398926157 /nfs/dbraw/zinc/92/61/57/398926157.db2.gz YDDVPWFVNPRVRE-LBPRGKRZSA-N 1 2 319.340 2.540 20 5 DFBDLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)n1 ZINC000595349458 398926161 /nfs/dbraw/zinc/92/61/61/398926161.db2.gz YDDVPWFVNPRVRE-LBPRGKRZSA-N 1 2 319.340 2.540 20 5 DFBDLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)n1 ZINC000595349458 398926163 /nfs/dbraw/zinc/92/61/63/398926163.db2.gz YDDVPWFVNPRVRE-LBPRGKRZSA-N 1 2 319.340 2.540 20 5 DFBDLO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000595349458 398926165 /nfs/dbraw/zinc/92/61/65/398926165.db2.gz YDDVPWFVNPRVRE-LBPRGKRZSA-N 1 2 319.340 2.540 20 5 DFBDLO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000595349458 398926167 /nfs/dbraw/zinc/92/61/67/398926167.db2.gz YDDVPWFVNPRVRE-LBPRGKRZSA-N 1 2 319.340 2.540 20 5 DFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCC1CC=CC1 ZINC000599127960 398925312 /nfs/dbraw/zinc/92/53/12/398925312.db2.gz SBFLOQBSIOTKDS-UHFFFAOYSA-N 1 2 317.389 2.805 20 5 DFBDLO Cc1ccc(NCCCNc2cc[nH+]c(C)n2)c([N+](=O)[O-])c1 ZINC000078297349 398946802 /nfs/dbraw/zinc/94/68/02/398946802.db2.gz YDLCGWDUDFTJEQ-UHFFFAOYSA-N 1 2 301.350 2.916 20 5 DFBDLO COc1cncc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000599311037 398952612 /nfs/dbraw/zinc/95/26/12/398952612.db2.gz BDUKMXXXXLESKM-UHFFFAOYSA-N 1 2 314.345 2.558 20 5 DFBDLO COc1cncc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000599311037 398952614 /nfs/dbraw/zinc/95/26/14/398952614.db2.gz BDUKMXXXXLESKM-UHFFFAOYSA-N 1 2 314.345 2.558 20 5 DFBDLO Cc1ccc([C@H](C)NC(=O)N(C)Cc2c[nH+]c[nH]2)cc1[N+](=O)[O-] ZINC000595543291 398963274 /nfs/dbraw/zinc/96/32/74/398963274.db2.gz JFSJPOAUCDMBCS-NSHDSACASA-N 1 2 317.349 2.529 20 5 DFBDLO Cc1ccc([C@H](C)NC(=O)N(C)Cc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000595543291 398963277 /nfs/dbraw/zinc/96/32/77/398963277.db2.gz JFSJPOAUCDMBCS-NSHDSACASA-N 1 2 317.349 2.529 20 5 DFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1noc(C2CCC2)n1 ZINC000599404078 398973862 /nfs/dbraw/zinc/97/38/62/398973862.db2.gz HDJWORRGUVBSJS-UHFFFAOYSA-N 1 2 316.361 2.920 20 5 DFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1noc(C2CCC2)n1 ZINC000599404078 398973866 /nfs/dbraw/zinc/97/38/66/398973866.db2.gz HDJWORRGUVBSJS-UHFFFAOYSA-N 1 2 316.361 2.920 20 5 DFBDLO Cc1cnc(NCc2cc[nH+]c(N3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000078628615 398974729 /nfs/dbraw/zinc/97/47/29/398974729.db2.gz YSRJOYMJZUQNTI-UHFFFAOYSA-N 1 2 313.361 2.906 20 5 DFBDLO Cc1cc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n(C)n1 ZINC000417738164 296045441 /nfs/dbraw/zinc/04/54/41/296045441.db2.gz YBRKFJOGPKFLCU-UHFFFAOYSA-N 1 2 300.362 2.801 20 5 DFBDLO Cc1cc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n(C)n1 ZINC000417738164 296045443 /nfs/dbraw/zinc/04/54/43/296045443.db2.gz YBRKFJOGPKFLCU-UHFFFAOYSA-N 1 2 300.362 2.801 20 5 DFBDLO CCCn1c(C)nnc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271787421 209216219 /nfs/dbraw/zinc/21/62/19/209216219.db2.gz UBUIJTBOLRFWLM-NSHDSACASA-N 1 2 303.366 2.756 20 5 DFBDLO Cc1cc(N2CCO[C@H](C)C2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000059017943 399108463 /nfs/dbraw/zinc/10/84/63/399108463.db2.gz KTDKWUAJQAGAGY-GFCCVEGCSA-N 1 2 314.345 2.585 20 5 DFBDLO Cc1c(C[N@@H+]2CCO[C@](C)(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000595918188 399136687 /nfs/dbraw/zinc/13/66/87/399136687.db2.gz VAZNXSHCOYSSAO-AWEZNQCLSA-N 1 2 300.305 2.759 20 5 DFBDLO Cc1c(C[N@H+]2CCO[C@](C)(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000595918188 399136690 /nfs/dbraw/zinc/13/66/90/399136690.db2.gz VAZNXSHCOYSSAO-AWEZNQCLSA-N 1 2 300.305 2.759 20 5 DFBDLO C[N@@H+]1CCC(=O)C[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])nc2)cc1 ZINC000600787970 399145506 /nfs/dbraw/zinc/14/55/06/399145506.db2.gz AUPHVUUCHNCIRO-MRXNPFEDSA-N 1 2 311.341 2.993 20 5 DFBDLO C[N@H+]1CCC(=O)C[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])nc2)cc1 ZINC000600787970 399145510 /nfs/dbraw/zinc/14/55/10/399145510.db2.gz AUPHVUUCHNCIRO-MRXNPFEDSA-N 1 2 311.341 2.993 20 5 DFBDLO COC(=O)c1cc(-c2c[nH+]c3n2CCCC3)cc([N+](=O)[O-])c1 ZINC000600846429 399159935 /nfs/dbraw/zinc/15/99/35/399159935.db2.gz XPKQHWUXMVKIJR-UHFFFAOYSA-N 1 2 301.302 2.581 20 5 DFBDLO CC(C)(C[NH+]=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)[C@H]1CCCCO1 ZINC000618585065 399170580 /nfs/dbraw/zinc/17/05/80/399170580.db2.gz PFOPQSRIKOTPFV-CQSZACIVSA-N 1 2 318.377 2.900 20 5 DFBDLO CC[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1cc(F)ccc1F ZINC000341994646 284304243 /nfs/dbraw/zinc/30/42/43/284304243.db2.gz OGMLJSSFIMMCPY-LBPRGKRZSA-N 1 2 310.304 2.847 20 5 DFBDLO Cc1nnc([C@@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000282569497 217096597 /nfs/dbraw/zinc/09/65/97/217096597.db2.gz ZJGRYSBGDNYJDC-SNVBAGLBSA-N 1 2 306.391 2.990 20 5 DFBDLO Cc1nnc([C@@H](C)[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000282569497 217096601 /nfs/dbraw/zinc/09/66/01/217096601.db2.gz ZJGRYSBGDNYJDC-SNVBAGLBSA-N 1 2 306.391 2.990 20 5 DFBDLO Cc1cc(N[C@H](CO)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000267433692 206064594 /nfs/dbraw/zinc/06/45/94/206064594.db2.gz XIRKMNJQRCOACW-CQSZACIVSA-N 1 2 316.361 2.789 20 5 DFBDLO C[C@](CO)([NH2+]Cc1cccc(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000601150625 399241913 /nfs/dbraw/zinc/24/19/13/399241913.db2.gz ZVRCLNWJDHODAN-MRXNPFEDSA-N 1 2 322.311 2.870 20 5 DFBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000194708192 296227812 /nfs/dbraw/zinc/22/78/12/296227812.db2.gz LFXLWCYVTWEKFC-VIFPVBQESA-N 1 2 306.347 2.747 20 5 DFBDLO Cc1nc(C)c(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)o1 ZINC000618903891 399255459 /nfs/dbraw/zinc/25/54/59/399255459.db2.gz CTUSCNLMFPOITF-UHFFFAOYSA-N 1 2 316.361 2.522 20 5 DFBDLO CC[C@]1(O)CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000601234292 399260965 /nfs/dbraw/zinc/26/09/65/399260965.db2.gz SYJUIIUJJCCNGO-INIZCTEOSA-N 1 2 301.346 2.884 20 5 DFBDLO Cc1[nH+]c[nH]c1CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000267888864 206320192 /nfs/dbraw/zinc/32/01/92/206320192.db2.gz SJWKZHJHPSRTNV-UHFFFAOYSA-N 1 2 316.361 2.854 20 5 DFBDLO Cc1[nH+]c2n(c1C)CCN(Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000609145649 399306740 /nfs/dbraw/zinc/30/67/40/399306740.db2.gz RSOBJPLNOAMJTL-UHFFFAOYSA-N 1 2 304.325 2.563 20 5 DFBDLO COc1cc(C(=O)Nc2ccc3[nH+]ccn3c2)ccc1[N+](=O)[O-] ZINC000609623070 399327130 /nfs/dbraw/zinc/32/71/30/399327130.db2.gz IXEXQXAZOHUYOX-UHFFFAOYSA-N 1 2 312.285 2.503 20 5 DFBDLO O=C(Nc1ccc2[nH+]ccn2c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609623105 399327346 /nfs/dbraw/zinc/32/73/46/399327346.db2.gz MMMMWXXJMKLLCY-UHFFFAOYSA-N 1 2 300.249 2.634 20 5 DFBDLO CC(C)c1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)[nH]1 ZINC000285011592 218256537 /nfs/dbraw/zinc/25/65/37/218256537.db2.gz HECIXYNQQFWDNP-NXEZZACHSA-N 1 2 318.381 2.830 20 5 DFBDLO CCOc1cc(N2CCn3c(C)c(C)[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000610515412 399375881 /nfs/dbraw/zinc/37/58/81/399375881.db2.gz LEOOZDLYKHEKKV-UHFFFAOYSA-N 1 2 316.361 2.827 20 5 DFBDLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000285086936 218285790 /nfs/dbraw/zinc/28/57/90/218285790.db2.gz JUMRHAYUVDXNKD-JGVFFNPUSA-N 1 2 307.379 2.749 20 5 DFBDLO C[C@H]1[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCOC1(C)C ZINC000610786700 399406111 /nfs/dbraw/zinc/40/61/11/399406111.db2.gz AWELLBLBPWUQBB-SNVBAGLBSA-N 1 2 305.334 2.735 20 5 DFBDLO C[C@H]1[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCOC1(C)C ZINC000610786700 399406113 /nfs/dbraw/zinc/40/61/13/399406113.db2.gz AWELLBLBPWUQBB-SNVBAGLBSA-N 1 2 305.334 2.735 20 5 DFBDLO CCCCn1nnnc1C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000610820890 399409220 /nfs/dbraw/zinc/40/92/20/399409220.db2.gz IHWBLZXRJBXCMK-AWEZNQCLSA-N 1 2 318.381 2.622 20 5 DFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC1CC=CC1 ZINC000615994538 399409598 /nfs/dbraw/zinc/40/95/98/399409598.db2.gz OFAABVVNKPQCCF-UHFFFAOYSA-N 1 2 303.362 2.558 20 5 DFBDLO O=C(Nc1ccc2[nH+]ccn2c1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000611196052 399444219 /nfs/dbraw/zinc/44/42/19/399444219.db2.gz WRAPGMBZMRPVIU-UHFFFAOYSA-N 1 2 321.296 2.976 20 5 DFBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCOCC34CCCC4)nc2c1 ZINC000611194873 399444359 /nfs/dbraw/zinc/44/43/59/399444359.db2.gz BHKZSSRQZQHTFS-UHFFFAOYSA-N 1 2 317.345 2.881 20 5 DFBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCOCC34CCCC4)nc2c1 ZINC000611194873 399444362 /nfs/dbraw/zinc/44/43/62/399444362.db2.gz BHKZSSRQZQHTFS-UHFFFAOYSA-N 1 2 317.345 2.881 20 5 DFBDLO COc1ccccc1C[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602440809 399445537 /nfs/dbraw/zinc/44/55/37/399445537.db2.gz KZMUHEOJMCMQQZ-UHFFFAOYSA-N 1 2 316.361 2.502 20 5 DFBDLO COc1ccccc1C[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602440809 399445539 /nfs/dbraw/zinc/44/55/39/399445539.db2.gz KZMUHEOJMCMQQZ-UHFFFAOYSA-N 1 2 316.361 2.502 20 5 DFBDLO COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000611209218 399445781 /nfs/dbraw/zinc/44/57/81/399445781.db2.gz OZBVUAJRHPGNJC-UHFFFAOYSA-N 1 2 305.309 2.770 20 5 DFBDLO COc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000611209218 399445786 /nfs/dbraw/zinc/44/57/86/399445786.db2.gz OZBVUAJRHPGNJC-UHFFFAOYSA-N 1 2 305.309 2.770 20 5 DFBDLO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2cn(C)nc2[N+](=O)[O-])s1 ZINC000602475677 399455149 /nfs/dbraw/zinc/45/51/49/399455149.db2.gz QLLLZCLUOUMCGW-VIFPVBQESA-N 1 2 309.395 2.595 20 5 DFBDLO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2cn(C)nc2[N+](=O)[O-])s1 ZINC000602475677 399455151 /nfs/dbraw/zinc/45/51/51/399455151.db2.gz QLLLZCLUOUMCGW-VIFPVBQESA-N 1 2 309.395 2.595 20 5 DFBDLO Cn1cc(C[N@H+](C)Cc2ccc(Cl)c(F)c2)c([N+](=O)[O-])n1 ZINC000602479696 399457149 /nfs/dbraw/zinc/45/71/49/399457149.db2.gz AFWCMXLZSJGSLF-UHFFFAOYSA-N 1 2 312.732 2.753 20 5 DFBDLO Cn1cc(C[N@@H+](C)Cc2ccc(Cl)c(F)c2)c([N+](=O)[O-])n1 ZINC000602479696 399457150 /nfs/dbraw/zinc/45/71/50/399457150.db2.gz AFWCMXLZSJGSLF-UHFFFAOYSA-N 1 2 312.732 2.753 20 5 DFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]Cc1cocn1 ZINC000602545559 399472760 /nfs/dbraw/zinc/47/27/60/399472760.db2.gz FRBYDSGUQJTVGM-UHFFFAOYSA-N 1 2 301.224 2.891 20 5 DFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611502208 399483340 /nfs/dbraw/zinc/48/33/40/399483340.db2.gz PHKILPOQTPCXKQ-UHIISALHSA-N 1 2 309.341 2.602 20 5 DFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611502208 399483341 /nfs/dbraw/zinc/48/33/41/399483341.db2.gz PHKILPOQTPCXKQ-UHIISALHSA-N 1 2 309.341 2.602 20 5 DFBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]Cc1ccno1 ZINC000602607780 399488589 /nfs/dbraw/zinc/48/85/89/399488589.db2.gz MMLWQDRMSHXTAK-UHFFFAOYSA-N 1 2 301.224 2.891 20 5 DFBDLO Cc1cccn2cc(CNC(=O)c3ccc([N+](=O)[O-])cc3C)[nH+]c12 ZINC000347516373 285068836 /nfs/dbraw/zinc/06/88/36/285068836.db2.gz POWNPGHHDCAYSO-UHFFFAOYSA-N 1 2 324.340 2.789 20 5 DFBDLO O=[N+]([O-])c1ccc(N2CCn3c[nH+]cc3C2)c(C(F)(F)F)c1 ZINC000290759429 285132603 /nfs/dbraw/zinc/13/26/03/285132603.db2.gz UGCNWQFKACQBDW-UHFFFAOYSA-N 1 2 312.251 2.830 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cnn3ccccc13)CCO2 ZINC000356534508 285142673 /nfs/dbraw/zinc/14/26/73/285142673.db2.gz WEWVLSWUTVQFAY-UHFFFAOYSA-N 1 2 324.340 2.637 20 5 DFBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cnn3ccccc13)CCO2 ZINC000356534508 285142674 /nfs/dbraw/zinc/14/26/74/285142674.db2.gz WEWVLSWUTVQFAY-UHFFFAOYSA-N 1 2 324.340 2.637 20 5 DFBDLO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1c(F)cccc1F ZINC000602770955 399565903 /nfs/dbraw/zinc/56/59/03/399565903.db2.gz APIPIWOPUAWHOD-UHFFFAOYSA-N 1 2 324.331 2.900 20 5 DFBDLO CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1c(F)cccc1F ZINC000602770955 399565909 /nfs/dbraw/zinc/56/59/09/399565909.db2.gz APIPIWOPUAWHOD-UHFFFAOYSA-N 1 2 324.331 2.900 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000120281346 195134129 /nfs/dbraw/zinc/13/41/29/195134129.db2.gz ISHPGWNLPBCAMO-UHFFFAOYSA-N 1 2 317.349 2.654 20 5 DFBDLO COC(=O)c1ccoc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000271658718 209102004 /nfs/dbraw/zinc/10/20/04/209102004.db2.gz KPOXFOLPHOEEMA-SNVBAGLBSA-N 1 2 304.302 2.825 20 5 DFBDLO O=[N+]([O-])c1cnc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)nc1 ZINC000273173006 285172115 /nfs/dbraw/zinc/17/21/15/285172115.db2.gz MUGKAMJBHIKCGG-UHFFFAOYSA-N 1 2 324.344 2.645 20 5 DFBDLO CC[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000602808778 399583705 /nfs/dbraw/zinc/58/37/05/399583705.db2.gz ZHEYITAWMPZUBZ-CYBMUJFWSA-N 1 2 310.304 2.847 20 5 DFBDLO CC[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000602808780 399583736 /nfs/dbraw/zinc/58/37/36/399583736.db2.gz ZHEYITAWMPZUBZ-ZDUSSCGKSA-N 1 2 310.304 2.847 20 5 DFBDLO Cc1ccc2nc(C[N@@H+]3CCc4ncc([N+](=O)[O-])cc4C3)cn2c1 ZINC000347803763 285182125 /nfs/dbraw/zinc/18/21/25/285182125.db2.gz YXAXODNVIOVLTC-UHFFFAOYSA-N 1 2 323.356 2.504 20 5 DFBDLO Cc1ccc2nc(C[N@H+]3CCc4ncc([N+](=O)[O-])cc4C3)cn2c1 ZINC000347803763 285182127 /nfs/dbraw/zinc/18/21/27/285182127.db2.gz YXAXODNVIOVLTC-UHFFFAOYSA-N 1 2 323.356 2.504 20 5 DFBDLO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602828269 399591883 /nfs/dbraw/zinc/59/18/83/399591883.db2.gz FADBBFIYJYIDTA-AWEZNQCLSA-N 1 2 318.377 2.920 20 5 DFBDLO CC[C@@H](c1ccccc1OC)[N@@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602828269 399591886 /nfs/dbraw/zinc/59/18/86/399591886.db2.gz FADBBFIYJYIDTA-AWEZNQCLSA-N 1 2 318.377 2.920 20 5 DFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000602901904 399621191 /nfs/dbraw/zinc/62/11/91/399621191.db2.gz KHAHVLPNCHVRMM-HNNXBMFYSA-N 1 2 315.377 2.578 20 5 DFBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000602901904 399621196 /nfs/dbraw/zinc/62/11/96/399621196.db2.gz KHAHVLPNCHVRMM-HNNXBMFYSA-N 1 2 315.377 2.578 20 5 DFBDLO C[N@H+](Cc1ccoc1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000348027279 285304784 /nfs/dbraw/zinc/30/47/84/285304784.db2.gz CORUEWZXSCUTNM-UHFFFAOYSA-N 1 2 314.301 2.870 20 5 DFBDLO C[N@@H+](Cc1ccoc1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000348027279 285304787 /nfs/dbraw/zinc/30/47/87/285304787.db2.gz CORUEWZXSCUTNM-UHFFFAOYSA-N 1 2 314.301 2.870 20 5 DFBDLO C[C@H]1C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CCC1(F)F ZINC000289973345 221353234 /nfs/dbraw/zinc/35/32/34/221353234.db2.gz XFNHHVMGIFUKGS-JTQLQIEISA-N 1 2 313.304 2.510 20 5 DFBDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])CCC1(F)F ZINC000289973345 221353237 /nfs/dbraw/zinc/35/32/37/221353237.db2.gz XFNHHVMGIFUKGS-JTQLQIEISA-N 1 2 313.304 2.510 20 5 DFBDLO Cc1c[nH+]ccc1NC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000121586707 195311576 /nfs/dbraw/zinc/31/15/76/195311576.db2.gz HHQZJNUINQCHDK-UHFFFAOYSA-N 1 2 300.318 2.662 20 5 DFBDLO COc1ccc(C[N@@H+]2CCO[C@H](c3ccco3)C2)cc1[N+](=O)[O-] ZINC000121528377 195303912 /nfs/dbraw/zinc/30/39/12/195303912.db2.gz XYWXIFLPLWWNTO-INIZCTEOSA-N 1 2 318.329 2.770 20 5 DFBDLO COc1ccc(C[N@H+]2CCO[C@H](c3ccco3)C2)cc1[N+](=O)[O-] ZINC000121528377 195303913 /nfs/dbraw/zinc/30/39/13/195303913.db2.gz XYWXIFLPLWWNTO-INIZCTEOSA-N 1 2 318.329 2.770 20 5 DFBDLO C[C@@H]([NH2+]Cc1nnc(C(C)(C)C)[nH]1)c1ccccc1[N+](=O)[O-] ZINC000292808844 533469130 /nfs/dbraw/zinc/46/91/30/533469130.db2.gz CBFJHHRDTGMVBV-SNVBAGLBSA-N 1 2 303.366 2.861 20 5 DFBDLO Cc1cnc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000348399815 285525224 /nfs/dbraw/zinc/52/52/24/285525224.db2.gz DLYLJJNXAYFXBT-GHMZBOCLSA-N 1 2 318.333 2.569 20 5 DFBDLO Cc1cnc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000348417418 285535786 /nfs/dbraw/zinc/53/57/86/285535786.db2.gz UGAPLTYVZZOHMX-GHMZBOCLSA-N 1 2 318.333 2.569 20 5 DFBDLO O=[N+]([O-])c1ncccc1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000603866265 399810529 /nfs/dbraw/zinc/81/05/29/399810529.db2.gz RFVKKAPASPFVCT-UHFFFAOYSA-N 1 2 313.361 2.987 20 5 DFBDLO Cc1ccnc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000165964265 145233068 /nfs/dbraw/zinc/23/30/68/145233068.db2.gz HRBMOBXIJIOIJZ-UHFFFAOYSA-N 1 2 312.373 2.620 20 5 DFBDLO CC(C)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172449296 145303458 /nfs/dbraw/zinc/30/34/58/145303458.db2.gz FEXBLNFSJGPHKB-GFCCVEGCSA-N 1 2 316.361 2.802 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2[nH+]ccn2CC(C)C)c1 ZINC000173907587 145361058 /nfs/dbraw/zinc/36/10/58/145361058.db2.gz LCFUHQZTMXVWBM-UHFFFAOYSA-N 1 2 316.361 2.686 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000248873234 146172103 /nfs/dbraw/zinc/17/21/03/146172103.db2.gz IJUMKYGBUOTLRS-HIFRSBDPSA-N 1 2 321.333 2.646 20 5 DFBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000248873234 146172105 /nfs/dbraw/zinc/17/21/05/146172105.db2.gz IJUMKYGBUOTLRS-HIFRSBDPSA-N 1 2 321.333 2.646 20 5 DFBDLO CC[C@H](NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000491982534 543408868 /nfs/dbraw/zinc/40/88/68/543408868.db2.gz JQNQPLXQMUOGPV-FUEXJSSKSA-N 1 2 318.308 2.738 20 5 DFBDLO O=[N+]([O-])c1cccnc1N1CCc2c([nH+]cn2-c2ccccc2)C1 ZINC000349867536 285960443 /nfs/dbraw/zinc/96/04/43/285960443.db2.gz JLNGRIWFDVRUBB-UHFFFAOYSA-N 1 2 321.340 2.738 20 5 DFBDLO O=C(/C=C\c1[nH]cc[nH+]1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000493072899 299710225 /nfs/dbraw/zinc/71/02/25/299710225.db2.gz RIXKYNQEXJPUDU-SREVYHEPSA-N 1 2 312.329 2.522 20 5 DFBDLO C[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000361642015 149178045 /nfs/dbraw/zinc/17/80/45/149178045.db2.gz GEJNYPDPHFCLHX-MLGOLLRUSA-N 1 2 324.352 2.504 20 5 DFBDLO C[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000361642015 149178047 /nfs/dbraw/zinc/17/80/47/149178047.db2.gz GEJNYPDPHFCLHX-MLGOLLRUSA-N 1 2 324.352 2.504 20 5 DFBDLO CCOc1cccc(NCC[N@@H+]2CCO[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000362680231 149339888 /nfs/dbraw/zinc/33/98/88/149339888.db2.gz HQHQYAGDUVAAPM-ZDUSSCGKSA-N 1 2 323.393 2.516 20 5 DFBDLO CCOc1cccc(NCC[N@H+]2CCO[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000362680231 149339889 /nfs/dbraw/zinc/33/98/89/149339889.db2.gz HQHQYAGDUVAAPM-ZDUSSCGKSA-N 1 2 323.393 2.516 20 5 DFBDLO CCc1ccc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000371443230 150048363 /nfs/dbraw/zinc/04/83/63/150048363.db2.gz OPSNUWGQIAJXPL-CYBMUJFWSA-N 1 2 314.345 2.858 20 5 DFBDLO Cc1c(CC(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC000371559579 150065507 /nfs/dbraw/zinc/06/55/07/150065507.db2.gz JONCNEAJDPKAFD-CQSZACIVSA-N 1 2 314.345 2.533 20 5 DFBDLO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000371580318 150067707 /nfs/dbraw/zinc/06/77/07/150067707.db2.gz NKNJLNHPYGRRSJ-ZDUSSCGKSA-N 1 2 322.361 2.521 20 5 DFBDLO COC(=O)[C@@H]1CCCCC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000371580318 150067712 /nfs/dbraw/zinc/06/77/12/150067712.db2.gz NKNJLNHPYGRRSJ-ZDUSSCGKSA-N 1 2 322.361 2.521 20 5 DFBDLO C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000493198354 299733987 /nfs/dbraw/zinc/73/39/87/299733987.db2.gz ZPNVPJHGKOGFRA-BKVNPXPRSA-N 1 2 312.329 2.627 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1c(F)ccc(O)c1F ZINC000352442108 286375151 /nfs/dbraw/zinc/37/51/51/286375151.db2.gz KLWNOKDGXLUNRJ-UHFFFAOYSA-N 1 2 324.283 2.877 20 5 DFBDLO CC(C)c1ccc(CN2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000353001505 286525401 /nfs/dbraw/zinc/52/54/01/286525401.db2.gz GPPKQTINMPPZMW-UHFFFAOYSA-N 1 2 300.362 2.931 20 5 DFBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H](O)C(F)(F)F ZINC000182412844 158002273 /nfs/dbraw/zinc/00/22/73/158002273.db2.gz FVZIUHJSIPQSCU-JTQLQIEISA-N 1 2 312.675 2.603 20 5 DFBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H](O)C(F)(F)F ZINC000182412844 158002275 /nfs/dbraw/zinc/00/22/75/158002275.db2.gz FVZIUHJSIPQSCU-JTQLQIEISA-N 1 2 312.675 2.603 20 5 DFBDLO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000246876223 158103847 /nfs/dbraw/zinc/10/38/47/158103847.db2.gz SWGFTQHJJFQIAS-DJIMGWMZSA-N 1 2 320.389 2.672 20 5 DFBDLO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000246876223 158103850 /nfs/dbraw/zinc/10/38/50/158103850.db2.gz SWGFTQHJJFQIAS-DJIMGWMZSA-N 1 2 320.389 2.672 20 5 DFBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000359627693 158427311 /nfs/dbraw/zinc/42/73/11/158427311.db2.gz SVOCFQZASCTVDI-AWEZNQCLSA-N 1 2 308.284 2.696 20 5 DFBDLO Cc1ncc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000060569386 425898920 /nfs/dbraw/zinc/89/89/20/425898920.db2.gz FHPWHAABKTYNKS-UHFFFAOYSA-N 1 2 318.402 2.682 20 5 DFBDLO Cc1cc(C(=O)NCc2cn3c(cccc3C)[nH+]2)ccc1[N+](=O)[O-] ZINC000068569747 425918778 /nfs/dbraw/zinc/91/87/78/425918778.db2.gz NYUTZPPSXMRBSM-UHFFFAOYSA-N 1 2 324.340 2.789 20 5 DFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccco1 ZINC000030276302 425831068 /nfs/dbraw/zinc/83/10/68/425831068.db2.gz FFBMRAZOSHKXGK-NSHDSACASA-N 1 2 303.318 2.647 20 5 DFBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccco1 ZINC000030276302 425831069 /nfs/dbraw/zinc/83/10/69/425831069.db2.gz FFBMRAZOSHKXGK-NSHDSACASA-N 1 2 303.318 2.647 20 5 DFBDLO CC(C)CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599431 425865559 /nfs/dbraw/zinc/86/55/59/425865559.db2.gz BXYRMJFIBTYRQQ-CYBMUJFWSA-N 1 2 307.394 2.577 20 5 DFBDLO CC(C)CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599431 425865560 /nfs/dbraw/zinc/86/55/60/425865560.db2.gz BXYRMJFIBTYRQQ-CYBMUJFWSA-N 1 2 307.394 2.577 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000194662487 268110297 /nfs/dbraw/zinc/11/02/97/268110297.db2.gz GPYBXWSHGABNTA-UHFFFAOYSA-N 1 2 324.340 2.789 20 5 DFBDLO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000271001390 268247316 /nfs/dbraw/zinc/24/73/16/268247316.db2.gz KZBOSHXGFOMEII-YPMHNXCESA-N 1 2 324.377 2.611 20 5 DFBDLO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000271001390 268247317 /nfs/dbraw/zinc/24/73/17/268247317.db2.gz KZBOSHXGFOMEII-YPMHNXCESA-N 1 2 324.377 2.611 20 5 DFBDLO Cc1c([C@H](C)[NH2+][C@@H](C(N)=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000126055808 426003287 /nfs/dbraw/zinc/00/32/87/426003287.db2.gz WXJZJLWENXZGON-BLLLJJGKSA-N 1 2 313.357 2.780 20 5 DFBDLO Cc1c([C@@H](C)[NH2+][C@@H](C(N)=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000126055609 426003391 /nfs/dbraw/zinc/00/33/91/426003391.db2.gz WXJZJLWENXZGON-MLGOLLRUSA-N 1 2 313.357 2.780 20 5 DFBDLO CC1(C)CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000170867624 426156719 /nfs/dbraw/zinc/15/67/19/426156719.db2.gz PPDLWMBSPGIKLK-UHFFFAOYSA-N 1 2 314.345 2.795 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000118415497 426235055 /nfs/dbraw/zinc/23/50/55/426235055.db2.gz CVPLDXSNLJFKFR-RYUDHWBXSA-N 1 2 323.418 2.668 20 5 DFBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000118415497 426235057 /nfs/dbraw/zinc/23/50/57/426235057.db2.gz CVPLDXSNLJFKFR-RYUDHWBXSA-N 1 2 323.418 2.668 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCCn1cc[nH+]c1 ZINC000085633973 426253039 /nfs/dbraw/zinc/25/30/39/426253039.db2.gz WMOPXAMILRAJJQ-UHFFFAOYSA-N 1 2 317.349 2.620 20 5 DFBDLO Cc1nc(N2CCc3c([nH+]c(C(C)C)n3C)C2)ccc1[N+](=O)[O-] ZINC000150792809 426261640 /nfs/dbraw/zinc/26/16/40/426261640.db2.gz WUUZYUMAMCDXBX-UHFFFAOYSA-N 1 2 315.377 2.718 20 5 DFBDLO CC[C@H](Nc1[nH+]cnc2c1cnn2C)c1cccc([N+](=O)[O-])c1 ZINC000174931272 426269258 /nfs/dbraw/zinc/26/92/58/426269258.db2.gz UROTZHKNEVECLW-ZDUSSCGKSA-N 1 2 312.333 2.835 20 5 DFBDLO CC(C)C[C@@H](C)N(C)C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000079961037 426207136 /nfs/dbraw/zinc/20/71/36/426207136.db2.gz CBHMDUMXILPZQG-CQSZACIVSA-N 1 2 321.421 2.920 20 5 DFBDLO CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000079961037 426207140 /nfs/dbraw/zinc/20/71/40/426207140.db2.gz CBHMDUMXILPZQG-CQSZACIVSA-N 1 2 321.421 2.920 20 5 DFBDLO COc1cc(C(=O)Nc2ccc(C)[nH+]c2C)ccc1[N+](=O)[O-] ZINC000121606475 426351537 /nfs/dbraw/zinc/35/15/37/426351537.db2.gz KCUYVKBYJKBDLT-UHFFFAOYSA-N 1 2 301.302 2.868 20 5 DFBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1cccc3c1OCO3)C2 ZINC000093443689 426355966 /nfs/dbraw/zinc/35/59/66/426355966.db2.gz NDZJESQAYIQCHG-UHFFFAOYSA-N 1 2 312.325 2.882 20 5 DFBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1cccc3c1OCO3)C2 ZINC000093443689 426355969 /nfs/dbraw/zinc/35/59/69/426355969.db2.gz NDZJESQAYIQCHG-UHFFFAOYSA-N 1 2 312.325 2.882 20 5 DFBDLO Cc1ccc(C[N@H+]2CCC[C@H]2C(=O)OC(C)C)cc1[N+](=O)[O-] ZINC000093535918 426356020 /nfs/dbraw/zinc/35/60/20/426356020.db2.gz JQEZXHKEASLWKV-AWEZNQCLSA-N 1 2 306.362 2.819 20 5 DFBDLO Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)OC(C)C)cc1[N+](=O)[O-] ZINC000093535918 426356022 /nfs/dbraw/zinc/35/60/22/426356022.db2.gz JQEZXHKEASLWKV-AWEZNQCLSA-N 1 2 306.362 2.819 20 5 DFBDLO CCn1nccc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000154261346 426432889 /nfs/dbraw/zinc/43/28/89/426432889.db2.gz UHODTFWRKKVJCN-UHFFFAOYSA-N 1 2 300.362 2.976 20 5 DFBDLO CCn1nccc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000154261346 426432891 /nfs/dbraw/zinc/43/28/91/426432891.db2.gz UHODTFWRKKVJCN-UHFFFAOYSA-N 1 2 300.362 2.976 20 5 DFBDLO COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000123641399 426444508 /nfs/dbraw/zinc/44/45/08/426444508.db2.gz BWPHVXBJYIZXOQ-GXTWGEPZSA-N 1 2 307.394 2.518 20 5 DFBDLO COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000123641399 426444510 /nfs/dbraw/zinc/44/45/10/426444510.db2.gz BWPHVXBJYIZXOQ-GXTWGEPZSA-N 1 2 307.394 2.518 20 5 DFBDLO CCc1nnc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1C ZINC000195107189 426500719 /nfs/dbraw/zinc/50/07/19/426500719.db2.gz TYHNSLVCZVJWNW-UHFFFAOYSA-N 1 2 317.393 2.696 20 5 DFBDLO CCc1nnc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1C ZINC000195107189 426500722 /nfs/dbraw/zinc/50/07/22/426500722.db2.gz TYHNSLVCZVJWNW-UHFFFAOYSA-N 1 2 317.393 2.696 20 5 DFBDLO Cc1ccnc(NCc2ccc(N3CCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000265293480 426615171 /nfs/dbraw/zinc/61/51/71/426615171.db2.gz YIOHUFSUVLQGNK-UHFFFAOYSA-N 1 2 313.361 2.906 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](n3cncn3)C2)ccc1Cl ZINC000178014524 426556395 /nfs/dbraw/zinc/55/63/95/426556395.db2.gz NDXKZCPNDCTWFI-LBPRGKRZSA-N 1 2 321.768 2.677 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](n3cncn3)C2)ccc1Cl ZINC000178014524 426556402 /nfs/dbraw/zinc/55/64/02/426556402.db2.gz NDXKZCPNDCTWFI-LBPRGKRZSA-N 1 2 321.768 2.677 20 5 DFBDLO Cc1ccc([C@@H](C)[NH2+][C@@H](C(N)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000178690838 426676113 /nfs/dbraw/zinc/67/61/13/426676113.db2.gz VJQBGMBPDBUQAY-MLGOLLRUSA-N 1 2 313.357 2.780 20 5 DFBDLO C[C@H](NCc1cn2c([nH+]1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000266831859 426786021 /nfs/dbraw/zinc/78/60/21/426786021.db2.gz DVHSVAGEIDDLFD-LBPRGKRZSA-N 1 2 300.362 2.978 20 5 DFBDLO COCc1cc([N+](=O)[O-])ccc1N1CCC(n2cc[nH+]c2)CC1 ZINC000266946773 426802604 /nfs/dbraw/zinc/80/26/04/426802604.db2.gz CVOZWFZZFWIPIK-UHFFFAOYSA-N 1 2 316.361 2.779 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCS[C@@H](C)[C@H]1C ZINC000246486612 426839420 /nfs/dbraw/zinc/83/94/20/426839420.db2.gz YVAYSKYRGLQCRF-NEPJUHHUSA-N 1 2 323.418 2.668 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000246486612 426839425 /nfs/dbraw/zinc/83/94/25/426839425.db2.gz YVAYSKYRGLQCRF-NEPJUHHUSA-N 1 2 323.418 2.668 20 5 DFBDLO COc1ccc([N+](=O)[O-])c(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000268221671 426953410 /nfs/dbraw/zinc/95/34/10/426953410.db2.gz CSEANKIJWDUIPK-BLLLJJGKSA-N 1 2 316.361 2.887 20 5 DFBDLO CCc1cc(=O)[nH]c(C[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)n1 ZINC000181535121 426961495 /nfs/dbraw/zinc/96/14/95/426961495.db2.gz NXZBXOBRYIEWPF-CQSZACIVSA-N 1 2 316.361 2.894 20 5 DFBDLO Cc1cc(C(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)cc([N+](=O)[O-])c1 ZINC000283155794 426967505 /nfs/dbraw/zinc/96/75/05/426967505.db2.gz YYBJZRAOZXAREQ-ZDUSSCGKSA-N 1 2 302.334 2.753 20 5 DFBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000276387922 427054801 /nfs/dbraw/zinc/05/48/01/427054801.db2.gz HSGFAOXGHXKSNT-LBPRGKRZSA-N 1 2 317.349 2.618 20 5 DFBDLO COC(=O)c1occc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292080396 427083894 /nfs/dbraw/zinc/08/38/94/427083894.db2.gz FSDRAYVFPWNHOJ-UHFFFAOYSA-N 1 2 318.329 2.999 20 5 DFBDLO COC[C@@H]1C[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000249182413 427093848 /nfs/dbraw/zinc/09/38/48/427093848.db2.gz NKJDARWINAWZHZ-ZFWWWQNUSA-N 1 2 322.405 2.954 20 5 DFBDLO COC[C@@H]1C[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000249182413 427093856 /nfs/dbraw/zinc/09/38/56/427093856.db2.gz NKJDARWINAWZHZ-ZFWWWQNUSA-N 1 2 322.405 2.954 20 5 DFBDLO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ncnn2C)cc1[N+](=O)[O-] ZINC000276549909 427099320 /nfs/dbraw/zinc/09/93/20/427099320.db2.gz FCDXHDMLPBSZTD-QWRGUYRKSA-N 1 2 319.365 2.534 20 5 DFBDLO CC[C@@H](O)CCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000268732139 427106186 /nfs/dbraw/zinc/10/61/86/427106186.db2.gz XPMBTMYOFJTMBI-CQSZACIVSA-N 1 2 316.361 2.933 20 5 DFBDLO COCCN1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000182751404 427139186 /nfs/dbraw/zinc/13/91/86/427139186.db2.gz NQGSZTYMFSSKQH-HUUCEWRRSA-N 1 2 321.421 2.617 20 5 DFBDLO COCCN1CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000182751404 427139192 /nfs/dbraw/zinc/13/91/92/427139192.db2.gz NQGSZTYMFSSKQH-HUUCEWRRSA-N 1 2 321.421 2.617 20 5 DFBDLO CN(CCC1CC1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000156187096 271058693 /nfs/dbraw/zinc/05/86/93/271058693.db2.gz ZQOGUOFJERIRAY-UHFFFAOYSA-N 1 2 314.345 2.653 20 5 DFBDLO Cc1ccc(CNc2ccc(N3CCCC3)c[nH+]2)cc1[N+](=O)[O-] ZINC000338154367 427161468 /nfs/dbraw/zinc/16/14/68/427161468.db2.gz PMBZZDOIRKHQMX-UHFFFAOYSA-N 1 2 312.373 3.511 20 5 DFBDLO CCC(C)(C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000190888324 271224300 /nfs/dbraw/zinc/22/43/00/271224300.db2.gz MKCGPJRJWOPRBU-UHFFFAOYSA-N 1 2 316.361 2.947 20 5 DFBDLO Cc1cc(=O)[nH]c([C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000279031600 271321181 /nfs/dbraw/zinc/32/11/81/271321181.db2.gz DOIJEWOTYCWJGC-MNOVXSKESA-N 1 2 302.334 2.811 20 5 DFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(O)(C(F)(F)F)CC2)cc1F ZINC000283082427 271335804 /nfs/dbraw/zinc/33/58/04/271335804.db2.gz KUVSZFXCJNYSPG-UHFFFAOYSA-N 1 2 322.258 2.623 20 5 DFBDLO CC[C@H]([NH2+][C@@H](C)c1nc(COC)no1)c1cccc([N+](=O)[O-])c1 ZINC000183096861 427198489 /nfs/dbraw/zinc/19/84/89/427198489.db2.gz LAJBPEMBWRTLHS-GWCFXTLKSA-N 1 2 320.349 2.926 20 5 DFBDLO C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000330462249 427245408 /nfs/dbraw/zinc/24/54/08/427245408.db2.gz SRLGRPPFQJCBHU-NSHDSACASA-N 1 2 307.350 2.503 20 5 DFBDLO C[C@H]1CCCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000330462249 427245412 /nfs/dbraw/zinc/24/54/12/427245412.db2.gz SRLGRPPFQJCBHU-NSHDSACASA-N 1 2 307.350 2.503 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC=C(C)CC1 ZINC000270365734 427334306 /nfs/dbraw/zinc/33/43/06/427334306.db2.gz SJKMKZQMJHFLSQ-GFCCVEGCSA-N 1 2 319.361 2.582 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC=C(C)CC1 ZINC000270365734 427334311 /nfs/dbraw/zinc/33/43/11/427334311.db2.gz SJKMKZQMJHFLSQ-GFCCVEGCSA-N 1 2 319.361 2.582 20 5 DFBDLO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338380606 427290355 /nfs/dbraw/zinc/29/03/55/427290355.db2.gz LMVUEVPWGXYJHI-GFCCVEGCSA-N 1 2 308.378 2.799 20 5 DFBDLO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338380606 427290358 /nfs/dbraw/zinc/29/03/58/427290358.db2.gz LMVUEVPWGXYJHI-GFCCVEGCSA-N 1 2 308.378 2.799 20 5 DFBDLO COc1cc(NCc2ccc(N(C)C)[nH+]c2)c(F)cc1[N+](=O)[O-] ZINC000271055600 427391029 /nfs/dbraw/zinc/39/10/29/427391029.db2.gz AIDBQPBLQSRYLI-UHFFFAOYSA-N 1 2 320.324 2.816 20 5 DFBDLO COCc1ccc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000339076951 271654445 /nfs/dbraw/zinc/65/44/45/271654445.db2.gz IZHCQQUBGWOVNU-UHFFFAOYSA-N 1 2 313.357 2.695 20 5 DFBDLO COCc1ccc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000339076951 271654446 /nfs/dbraw/zinc/65/44/46/271654446.db2.gz IZHCQQUBGWOVNU-UHFFFAOYSA-N 1 2 313.357 2.695 20 5 DFBDLO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293526497 427355115 /nfs/dbraw/zinc/35/51/15/427355115.db2.gz JBJJPJZNFNXGMB-CABZTGNLSA-N 1 2 318.295 2.959 20 5 DFBDLO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293526497 427355119 /nfs/dbraw/zinc/35/51/19/427355119.db2.gz JBJJPJZNFNXGMB-CABZTGNLSA-N 1 2 318.295 2.959 20 5 DFBDLO CC[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@@H]1CCCO1 ZINC000285887182 427366067 /nfs/dbraw/zinc/36/60/67/427366067.db2.gz GBALOKBBZVFFKI-NSHDSACASA-N 1 2 300.305 2.874 20 5 DFBDLO CC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@@H]1CCCO1 ZINC000285887182 427366072 /nfs/dbraw/zinc/36/60/72/427366072.db2.gz GBALOKBBZVFFKI-NSHDSACASA-N 1 2 300.305 2.874 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCCC[C@@H]2CCO)c(F)c1 ZINC000285901467 427368824 /nfs/dbraw/zinc/36/88/24/427368824.db2.gz GWTRJCSQFVNAFV-SNVBAGLBSA-N 1 2 300.305 2.610 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCCC[C@@H]2CCO)c(F)c1 ZINC000285901467 427368828 /nfs/dbraw/zinc/36/88/28/427368828.db2.gz GWTRJCSQFVNAFV-SNVBAGLBSA-N 1 2 300.305 2.610 20 5 DFBDLO COc1cc(C[NH2+][C@H](C)c2ccccn2)c([N+](=O)[O-])cc1F ZINC000184403666 427454771 /nfs/dbraw/zinc/45/47/71/427454771.db2.gz BNGAMUCCNHJVAP-SNVBAGLBSA-N 1 2 305.309 2.988 20 5 DFBDLO COc1ccc([N+](=O)[O-])c(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000338674733 427432847 /nfs/dbraw/zinc/43/28/47/427432847.db2.gz CIUAOJHDWXERBY-CQSZACIVSA-N 1 2 315.329 2.656 20 5 DFBDLO COCC[N@H+](Cc1ccccn1)Cc1ccc([N+](=O)[O-])cc1F ZINC000287567140 427641740 /nfs/dbraw/zinc/64/17/40/427641740.db2.gz XDHQJJYQRDTDCO-UHFFFAOYSA-N 1 2 319.336 2.778 20 5 DFBDLO COCC[N@@H+](Cc1ccccn1)Cc1ccc([N+](=O)[O-])cc1F ZINC000287567140 427641745 /nfs/dbraw/zinc/64/17/45/427641745.db2.gz XDHQJJYQRDTDCO-UHFFFAOYSA-N 1 2 319.336 2.778 20 5 DFBDLO Cn1cc([C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C(C)(C)C)cn1 ZINC000339077633 427664173 /nfs/dbraw/zinc/66/41/73/427664173.db2.gz RZPXWDNETKFXTO-HNNXBMFYSA-N 1 2 318.377 2.911 20 5 DFBDLO Cn1cc[nH+]c1[C@H](Nc1nc2sccn2c1[N+](=O)[O-])C1CC1 ZINC000343255945 272105815 /nfs/dbraw/zinc/10/58/15/272105815.db2.gz PHKFAJNHVHVYQG-SECBINFHSA-N 1 2 318.362 2.601 20 5 DFBDLO Cn1cc[nH+]c1[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000343271110 272110242 /nfs/dbraw/zinc/11/02/42/272110242.db2.gz ANIOISZQBGXLLN-NSHDSACASA-N 1 2 307.741 2.940 20 5 DFBDLO CC[C@H](C)[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)OC ZINC000343604905 272181731 /nfs/dbraw/zinc/18/17/31/272181731.db2.gz ODLYXFMDYIOHJJ-JWJUJFCLSA-N 1 2 306.362 2.882 20 5 DFBDLO CC[C@H](C)[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)OC ZINC000343604905 272181732 /nfs/dbraw/zinc/18/17/32/272181732.db2.gz ODLYXFMDYIOHJJ-JWJUJFCLSA-N 1 2 306.362 2.882 20 5 DFBDLO C[C@H]1CN2CCCC[C@@H]2C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000343937640 272240694 /nfs/dbraw/zinc/24/06/94/272240694.db2.gz STBDTBIAPOMHEM-GOEBONIOSA-N 1 2 319.405 2.532 20 5 DFBDLO C[C@H]1CN2CCCC[C@@H]2C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000343937640 272240696 /nfs/dbraw/zinc/24/06/96/272240696.db2.gz STBDTBIAPOMHEM-GOEBONIOSA-N 1 2 319.405 2.532 20 5 DFBDLO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(F)(F)CO ZINC000344110096 272266228 /nfs/dbraw/zinc/26/62/28/272266228.db2.gz OYAJYHMDZHSQFW-SNVBAGLBSA-N 1 2 320.361 2.683 20 5 DFBDLO CCOC(=O)C[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C1CCC1 ZINC000344888118 272382412 /nfs/dbraw/zinc/38/24/12/272382412.db2.gz KNZSOHMYSSKWFU-UHFFFAOYSA-N 1 2 306.362 2.821 20 5 DFBDLO CCOC(=O)C[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C1CCC1 ZINC000344888118 272382414 /nfs/dbraw/zinc/38/24/14/272382414.db2.gz KNZSOHMYSSKWFU-UHFFFAOYSA-N 1 2 306.362 2.821 20 5 DFBDLO COCC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCC[C@@H]1C ZINC000339138167 427696296 /nfs/dbraw/zinc/69/62/96/427696296.db2.gz ULMSYZZMLZEYDY-WFASDCNBSA-N 1 2 308.378 2.937 20 5 DFBDLO COCC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCC[C@@H]1C ZINC000339138167 427696301 /nfs/dbraw/zinc/69/63/01/427696301.db2.gz ULMSYZZMLZEYDY-WFASDCNBSA-N 1 2 308.378 2.937 20 5 DFBDLO Nc1nc(Nc2ccc([NH+]3CCCCC3)cc2)ncc1[N+](=O)[O-] ZINC000301152558 427778547 /nfs/dbraw/zinc/77/85/47/427778547.db2.gz LGLQZYJRNHLZAB-UHFFFAOYSA-N 1 2 314.349 2.701 20 5 DFBDLO Cc1cc(N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)ccc1[N+](=O)[O-] ZINC000301588364 427808204 /nfs/dbraw/zinc/80/82/04/427808204.db2.gz PSACTNVVXYFMMA-GFCCVEGCSA-N 1 2 320.418 2.517 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000355656069 427835338 /nfs/dbraw/zinc/83/53/38/427835338.db2.gz JNSNROFGLWRUMA-UHFFFAOYSA-N 1 2 304.325 2.632 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000355656069 427835346 /nfs/dbraw/zinc/83/53/46/427835346.db2.gz JNSNROFGLWRUMA-UHFFFAOYSA-N 1 2 304.325 2.632 20 5 DFBDLO Cc1cccc(N2CC[NH+](Cc3ccccn3)CC2)c1[N+](=O)[O-] ZINC000302466440 427851080 /nfs/dbraw/zinc/85/10/80/427851080.db2.gz BOWNJTREQSUQNY-UHFFFAOYSA-N 1 2 312.373 2.620 20 5 DFBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000359481671 427869428 /nfs/dbraw/zinc/86/94/28/427869428.db2.gz LGGDGRWJDURRJP-UHFFFAOYSA-N 1 2 316.342 2.771 20 5 DFBDLO CN1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])Cc2ccccc21 ZINC000340286826 427978140 /nfs/dbraw/zinc/97/81/40/427978140.db2.gz VEDIDRLTEZYLDQ-UHFFFAOYSA-N 1 2 313.357 2.752 20 5 DFBDLO CN1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])Cc2ccccc21 ZINC000340286826 427978143 /nfs/dbraw/zinc/97/81/43/427978143.db2.gz VEDIDRLTEZYLDQ-UHFFFAOYSA-N 1 2 313.357 2.752 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC[C@@H](CCCO)C3)c2c1 ZINC000413313238 428019811 /nfs/dbraw/zinc/01/98/11/428019811.db2.gz HJEJZBYVRYUPRV-GFCCVEGCSA-N 1 2 301.346 2.742 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000370035751 428119051 /nfs/dbraw/zinc/11/90/51/428119051.db2.gz GQPVGORMXXOXDA-INIZCTEOSA-N 1 2 323.356 2.603 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000341716448 428166961 /nfs/dbraw/zinc/16/69/61/428166961.db2.gz HBVVKFKENPGYFE-AWEZNQCLSA-N 1 2 314.345 2.518 20 5 DFBDLO Cc1sc(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000341718859 428169204 /nfs/dbraw/zinc/16/92/04/428169204.db2.gz LFTNEEQVQNVMJL-GFCCVEGCSA-N 1 2 320.374 2.579 20 5 DFBDLO C[C@@H]([NH2+]Cc1nnc(C(C)(C)C)[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000414166498 428223114 /nfs/dbraw/zinc/22/31/14/428223114.db2.gz DVJSYOLIWDFIEI-SNVBAGLBSA-N 1 2 303.366 2.861 20 5 DFBDLO COc1ccc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000352678197 428198355 /nfs/dbraw/zinc/19/83/55/428198355.db2.gz NGDXBCJAEDMEDL-UHFFFAOYSA-N 1 2 314.341 2.998 20 5 DFBDLO COc1ccc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000352678197 428198359 /nfs/dbraw/zinc/19/83/59/428198359.db2.gz NGDXBCJAEDMEDL-UHFFFAOYSA-N 1 2 314.341 2.998 20 5 DFBDLO CCOc1ccc(C(=O)Nc2c[nH+]ccc2OC)cc1[N+](=O)[O-] ZINC000346705657 428282054 /nfs/dbraw/zinc/28/20/54/428282054.db2.gz MYABDHMDHKNUFB-UHFFFAOYSA-N 1 2 317.301 2.649 20 5 DFBDLO Cc1nc(NCc2cccc(-c3[nH]cc[nH+]3)c2)ccc1[N+](=O)[O-] ZINC000341932684 428254015 /nfs/dbraw/zinc/25/40/15/428254015.db2.gz IOLVPSRITQKFEL-UHFFFAOYSA-N 1 2 309.329 3.300 20 5 DFBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378410405 428390905 /nfs/dbraw/zinc/39/09/05/428390905.db2.gz PVEXOUUUECXMCJ-ZDUSSCGKSA-N 1 2 300.318 2.604 20 5 DFBDLO O=C(CC[N@@H+]1CCC[C@@H]1C(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000353187862 428423351 /nfs/dbraw/zinc/42/33/51/428423351.db2.gz FMCIYZLAXWEWBV-GFCCVEGCSA-N 1 2 313.304 2.653 20 5 DFBDLO O=C(CC[N@H+]1CCC[C@@H]1C(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000353187862 428423354 /nfs/dbraw/zinc/42/33/54/428423354.db2.gz FMCIYZLAXWEWBV-GFCCVEGCSA-N 1 2 313.304 2.653 20 5 DFBDLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000353356461 428500682 /nfs/dbraw/zinc/50/06/82/428500682.db2.gz VOIXNHVOZXUIFA-CYBMUJFWSA-N 1 2 315.333 2.601 20 5 DFBDLO Cn1cc[nH+]c1[C@H](NCc1ccoc1)c1cccc([N+](=O)[O-])c1 ZINC000353489926 428562324 /nfs/dbraw/zinc/56/23/24/428562324.db2.gz CRCZKKXEKBTXAY-OAHLLOKOSA-N 1 2 312.329 2.801 20 5 DFBDLO CCc1nc(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cs1 ZINC000373585485 428610533 /nfs/dbraw/zinc/61/05/33/428610533.db2.gz NYMKQIXVQXXDLZ-GFCCVEGCSA-N 1 2 321.406 2.647 20 5 DFBDLO CCc1nc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cs1 ZINC000373585485 428610537 /nfs/dbraw/zinc/61/05/37/428610537.db2.gz NYMKQIXVQXXDLZ-GFCCVEGCSA-N 1 2 321.406 2.647 20 5 DFBDLO COc1cc(C[NH2+][C@H](C)c2nnc(C)s2)ccc1[N+](=O)[O-] ZINC000353651696 428639154 /nfs/dbraw/zinc/63/91/54/428639154.db2.gz DHPTYJGLMQMFRV-MRVPVSSYSA-N 1 2 308.363 2.614 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000373736916 428642181 /nfs/dbraw/zinc/64/21/81/428642181.db2.gz PSGRSVZKOJRYOA-HUUCEWRRSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000373736916 428642188 /nfs/dbraw/zinc/64/21/88/428642188.db2.gz PSGRSVZKOJRYOA-HUUCEWRRSA-N 1 2 306.362 2.747 20 5 DFBDLO COc1c(C)c[nH+]c(CN(C)c2ccc([N+](=O)[O-])nc2)c1C ZINC000344445652 428644182 /nfs/dbraw/zinc/64/41/82/428644182.db2.gz YUULLTNEJFIARW-UHFFFAOYSA-N 1 2 302.334 2.647 20 5 DFBDLO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000353777542 428710779 /nfs/dbraw/zinc/71/07/79/428710779.db2.gz BKPISIUUXZHVBF-HUUCEWRRSA-N 1 2 308.378 2.936 20 5 DFBDLO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000353777542 428710782 /nfs/dbraw/zinc/71/07/82/428710782.db2.gz BKPISIUUXZHVBF-HUUCEWRRSA-N 1 2 308.378 2.936 20 5 DFBDLO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@](F)(c3ccccc3F)C2)n1 ZINC000374817019 428759020 /nfs/dbraw/zinc/75/90/20/428759020.db2.gz VBFZABBEZJMBNK-OAHLLOKOSA-N 1 2 322.315 2.501 20 5 DFBDLO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@](F)(c3ccccc3F)C2)n1 ZINC000374817019 428759026 /nfs/dbraw/zinc/75/90/26/428759026.db2.gz VBFZABBEZJMBNK-OAHLLOKOSA-N 1 2 322.315 2.501 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H](COCC2CC2)C1 ZINC000362521351 428784626 /nfs/dbraw/zinc/78/46/26/428784626.db2.gz UEOMPBZDXJWJDA-KRWDZBQOSA-N 1 2 320.389 2.531 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H](COCC2CC2)C1 ZINC000362521351 428784632 /nfs/dbraw/zinc/78/46/32/428784632.db2.gz UEOMPBZDXJWJDA-KRWDZBQOSA-N 1 2 320.389 2.531 20 5 DFBDLO Cc1cn2c([nH+]1)CN(c1ccc([N+](=O)[O-])c(OC(F)F)c1)CC2 ZINC000374712467 428737212 /nfs/dbraw/zinc/73/72/12/428737212.db2.gz CQZFMGCGDYQXBM-UHFFFAOYSA-N 1 2 324.287 2.721 20 5 DFBDLO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccoc1 ZINC000345094659 428750465 /nfs/dbraw/zinc/75/04/65/428750465.db2.gz XTFDIPCNCDFBFW-UHFFFAOYSA-N 1 2 323.736 2.912 20 5 DFBDLO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccoc1 ZINC000345094659 428750470 /nfs/dbraw/zinc/75/04/70/428750470.db2.gz XTFDIPCNCDFBFW-UHFFFAOYSA-N 1 2 323.736 2.912 20 5 DFBDLO COc1cc(C[N@@H+]2CCOCC3(CCC3)C2)c([N+](=O)[O-])cc1F ZINC000375141469 428810214 /nfs/dbraw/zinc/81/02/14/428810214.db2.gz OYQHKBUALWHUIZ-UHFFFAOYSA-N 1 2 324.352 2.745 20 5 DFBDLO COc1cc(C[N@H+]2CCOCC3(CCC3)C2)c([N+](=O)[O-])cc1F ZINC000375141469 428810219 /nfs/dbraw/zinc/81/02/19/428810219.db2.gz OYQHKBUALWHUIZ-UHFFFAOYSA-N 1 2 324.352 2.745 20 5 DFBDLO CCOc1cc(C[N@@H+]2CCO[C@H](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000411846565 428867734 /nfs/dbraw/zinc/86/77/34/428867734.db2.gz LQNFVZDOTDGGKW-KRWDZBQOSA-N 1 2 320.389 2.994 20 5 DFBDLO CCOc1cc(C[N@H+]2CCO[C@H](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000411846565 428867738 /nfs/dbraw/zinc/86/77/38/428867738.db2.gz LQNFVZDOTDGGKW-KRWDZBQOSA-N 1 2 320.389 2.994 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411882754 428875362 /nfs/dbraw/zinc/87/53/62/428875362.db2.gz YSCIELAUHYSNTR-QGZVFWFLSA-N 1 2 320.389 2.994 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411882754 428875370 /nfs/dbraw/zinc/87/53/70/428875370.db2.gz YSCIELAUHYSNTR-QGZVFWFLSA-N 1 2 320.389 2.994 20 5 DFBDLO Cc1[nH+]c2ccccc2n1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000359233633 428879718 /nfs/dbraw/zinc/87/97/18/428879718.db2.gz UTQMHYWOOSFBIU-UHFFFAOYSA-N 1 2 324.340 2.916 20 5 DFBDLO Cc1[nH+]c2n(c1C)CCN(Cc1cccc([N+](=O)[O-])c1C)C2 ZINC000375779806 428968143 /nfs/dbraw/zinc/96/81/43/428968143.db2.gz YUFNEZAJCFMDFH-UHFFFAOYSA-N 1 2 300.362 2.732 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433243042 429015074 /nfs/dbraw/zinc/01/50/74/429015074.db2.gz COIRNNKHYQNQIY-UHFFFAOYSA-N 1 2 312.732 2.753 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433243042 429015080 /nfs/dbraw/zinc/01/50/80/429015080.db2.gz COIRNNKHYQNQIY-UHFFFAOYSA-N 1 2 312.732 2.753 20 5 DFBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCc3cn[nH]c3C2)c1 ZINC000363937011 429143623 /nfs/dbraw/zinc/14/36/23/429143623.db2.gz IVXYCDQKODYDTB-NSHDSACASA-N 1 2 306.753 2.618 20 5 DFBDLO Nc1ccc(N[C@@H]2CCCN(c3cccc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000376450280 429115099 /nfs/dbraw/zinc/11/50/99/429115099.db2.gz PXMBFIALKHUIPS-CYBMUJFWSA-N 1 2 313.361 2.653 20 5 DFBDLO CC[C@H](C)NC(=O)CCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413069264 429131135 /nfs/dbraw/zinc/13/11/35/429131135.db2.gz KNKMKIVCEBVFFS-NSHDSACASA-N 1 2 316.361 2.860 20 5 DFBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC[C@H](n4cncn4)C3)c2c1 ZINC000413123463 429142608 /nfs/dbraw/zinc/14/26/08/429142608.db2.gz CKOVFMUCFBACJD-AWEZNQCLSA-N 1 2 324.344 2.576 20 5 DFBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)c1 ZINC000364335413 429186231 /nfs/dbraw/zinc/18/62/31/429186231.db2.gz ITJYFURRNQEBLC-LBPRGKRZSA-N 1 2 322.315 2.907 20 5 DFBDLO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)c1 ZINC000364335413 429186233 /nfs/dbraw/zinc/18/62/33/429186233.db2.gz ITJYFURRNQEBLC-LBPRGKRZSA-N 1 2 322.315 2.907 20 5 DFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000456365060 429288858 /nfs/dbraw/zinc/28/88/58/429288858.db2.gz VUFSZXFFBQKZCZ-NSHDSACASA-N 1 2 302.334 2.611 20 5 DFBDLO Cc1sc(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000456400234 429298495 /nfs/dbraw/zinc/29/84/95/429298495.db2.gz VECOPFPCKPLYLB-APPZFPTMSA-N 1 2 306.347 2.597 20 5 DFBDLO Cc1ccc(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000456408633 429300138 /nfs/dbraw/zinc/30/01/38/429300138.db2.gz ZFMKKKKFIUMQSN-PWSUYJOCSA-N 1 2 300.318 2.536 20 5 DFBDLO CCCC[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000449244021 429364604 /nfs/dbraw/zinc/36/46/04/429364604.db2.gz PABOVEWPKNZILP-TZMCWYRMSA-N 1 2 308.378 2.847 20 5 DFBDLO COC(=O)[C@H](CC(C)C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449256775 429367368 /nfs/dbraw/zinc/36/73/68/429367368.db2.gz JVSWDKPBLPASEO-OCCSQVGLSA-N 1 2 308.378 2.703 20 5 DFBDLO CC1(C)CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC[S@]1=O ZINC000449570039 429449019 /nfs/dbraw/zinc/44/90/19/429449019.db2.gz FVWFLYKMZAMOGQ-YXSMGJEKSA-N 1 2 322.430 2.841 20 5 DFBDLO CC1(C)CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC[S@]1=O ZINC000449570039 429449024 /nfs/dbraw/zinc/44/90/24/429449024.db2.gz FVWFLYKMZAMOGQ-YXSMGJEKSA-N 1 2 322.430 2.841 20 5 DFBDLO CC/C=C\C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000449452350 429422770 /nfs/dbraw/zinc/42/27/70/429422770.db2.gz FTTJBSGKYOBIOE-FOSCPCJNSA-N 1 2 300.362 2.974 20 5 DFBDLO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1cccc2[nH+]ccn21 ZINC000491916500 429433951 /nfs/dbraw/zinc/43/39/51/429433951.db2.gz RZMVQSYLKUMRFI-TWGQIWQCSA-N 1 2 308.297 2.894 20 5 DFBDLO O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc2[nH+]ccn21 ZINC000491929739 429435750 /nfs/dbraw/zinc/43/57/50/429435750.db2.gz KZJTVUIJULJZQV-BQYQJAHWSA-N 1 2 308.297 2.894 20 5 DFBDLO Cc1ccc(CNc2ccc(-c3cncnc3)c[nH+]2)cc1[N+](=O)[O-] ZINC000366851235 429525967 /nfs/dbraw/zinc/52/59/67/429525967.db2.gz UXGJITSHFUVTEE-UHFFFAOYSA-N 1 2 321.340 3.367 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(CC(C)C)C(=O)[C@H]1C ZINC000428476245 429527209 /nfs/dbraw/zinc/52/72/09/429527209.db2.gz XGINOQHGEKTHKJ-CQSZACIVSA-N 1 2 319.405 2.592 20 5 DFBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(CC(C)C)C(=O)[C@H]1C ZINC000428476245 429527217 /nfs/dbraw/zinc/52/72/17/429527217.db2.gz XGINOQHGEKTHKJ-CQSZACIVSA-N 1 2 319.405 2.592 20 5 DFBDLO Cc1c[nH]c(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[nH+]1 ZINC000519638391 429473118 /nfs/dbraw/zinc/47/31/18/429473118.db2.gz CZPDOYVWAFTMRP-UHFFFAOYSA-N 1 2 322.752 2.945 20 5 DFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000492242752 429494326 /nfs/dbraw/zinc/49/43/26/429494326.db2.gz USIZAWZIJGRTOK-NSHDSACASA-N 1 2 321.768 2.677 20 5 DFBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000492242752 429494330 /nfs/dbraw/zinc/49/43/30/429494330.db2.gz USIZAWZIJGRTOK-NSHDSACASA-N 1 2 321.768 2.677 20 5 DFBDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000492490751 429549143 /nfs/dbraw/zinc/54/91/43/429549143.db2.gz IOYFHZQKLLJCIB-ABZNLYFFSA-N 1 2 314.345 2.702 20 5 DFBDLO CC(C)[C@@H]1C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000458097761 429580331 /nfs/dbraw/zinc/58/03/31/429580331.db2.gz CXCAODKJYHPHCB-QWHCGFSZSA-N 1 2 314.345 2.555 20 5 DFBDLO CC(C)[C@@H]1C[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000458146342 429587208 /nfs/dbraw/zinc/58/72/08/429587208.db2.gz UNXULHZLOCZFSO-QWHCGFSZSA-N 1 2 314.345 2.555 20 5 DFBDLO Cc1ccoc1C[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000429361186 429600637 /nfs/dbraw/zinc/60/06/37/429600637.db2.gz IUKSWEXQQPCRJX-UHFFFAOYSA-N 1 2 317.345 2.875 20 5 DFBDLO Cc1ccoc1C[N@@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000429361186 429600642 /nfs/dbraw/zinc/60/06/42/429600642.db2.gz IUKSWEXQQPCRJX-UHFFFAOYSA-N 1 2 317.345 2.875 20 5 DFBDLO Cc1ccoc1C[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000429397122 429604980 /nfs/dbraw/zinc/60/49/80/429604980.db2.gz DQWKVHWCDHDOIL-UHFFFAOYSA-N 1 2 318.329 2.995 20 5 DFBDLO Cc1ccoc1C[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000429397122 429604984 /nfs/dbraw/zinc/60/49/84/429604984.db2.gz DQWKVHWCDHDOIL-UHFFFAOYSA-N 1 2 318.329 2.995 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H](C)c1cnn(C)c1 ZINC000430227074 429664886 /nfs/dbraw/zinc/66/48/86/429664886.db2.gz OSFXQFORLQFTHN-LLVKDONJSA-N 1 2 304.350 2.530 20 5 DFBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](C)c1cnn(C)c1 ZINC000430227074 429664891 /nfs/dbraw/zinc/66/48/91/429664891.db2.gz OSFXQFORLQFTHN-LLVKDONJSA-N 1 2 304.350 2.530 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CC(C)(C)[C@H]2c2[nH+]ccn2C)n1 ZINC000450655083 429672744 /nfs/dbraw/zinc/67/27/44/429672744.db2.gz YHEPDVZBQDNVLL-CYBMUJFWSA-N 1 2 315.377 2.928 20 5 DFBDLO CC[C@@H]1C[C@H]1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000450723672 429686140 /nfs/dbraw/zinc/68/61/40/429686140.db2.gz JDQGTBPRLVHOKY-CABCVRRESA-N 1 2 319.405 2.885 20 5 DFBDLO C[C@H]1C[C@@H](Nc2nc3sccn3c2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450836350 429710761 /nfs/dbraw/zinc/71/07/61/429710761.db2.gz YRAVUDHEZVBEFO-JGVFFNPUSA-N 1 2 304.335 2.618 20 5 DFBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493660201 429805939 /nfs/dbraw/zinc/80/59/39/429805939.db2.gz UHNPFEZJKSUKSH-QDZRJHCZSA-N 1 2 314.345 2.702 20 5 DFBDLO CCC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451180551 429780498 /nfs/dbraw/zinc/78/04/98/429780498.db2.gz STLGDKCNKFEICI-UHFFFAOYSA-N 1 2 316.361 2.947 20 5 DFBDLO CCc1nc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451545109 429850133 /nfs/dbraw/zinc/85/01/33/429850133.db2.gz GEOPZUQWOPQTLR-CYBMUJFWSA-N 1 2 316.361 2.920 20 5 DFBDLO CCc1nc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451545109 429850136 /nfs/dbraw/zinc/85/01/36/429850136.db2.gz GEOPZUQWOPQTLR-CYBMUJFWSA-N 1 2 316.361 2.920 20 5 DFBDLO Cc1nc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451547688 429850761 /nfs/dbraw/zinc/85/07/61/429850761.db2.gz LRVWJTVZZRNTFQ-CYBMUJFWSA-N 1 2 302.334 2.666 20 5 DFBDLO Cc1nc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451547688 429850763 /nfs/dbraw/zinc/85/07/63/429850763.db2.gz LRVWJTVZZRNTFQ-CYBMUJFWSA-N 1 2 302.334 2.666 20 5 DFBDLO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H](C2CC2)O1 ZINC000369290197 429922817 /nfs/dbraw/zinc/92/28/17/429922817.db2.gz JOSUZPYEAKUCRP-BONVTDFDSA-N 1 2 317.345 2.735 20 5 DFBDLO C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H](C2CC2)O1 ZINC000369290197 429922818 /nfs/dbraw/zinc/92/28/18/429922818.db2.gz JOSUZPYEAKUCRP-BONVTDFDSA-N 1 2 317.345 2.735 20 5 DFBDLO Cc1ccnc([C@H]2CC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)c1 ZINC000573106445 429926581 /nfs/dbraw/zinc/92/65/81/429926581.db2.gz TZKVJDLLBLMGHN-ZDUSSCGKSA-N 1 2 313.357 2.993 20 5 DFBDLO Cc1ccnc([C@H]2CC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)c1 ZINC000573106445 429926585 /nfs/dbraw/zinc/92/65/85/429926585.db2.gz TZKVJDLLBLMGHN-ZDUSSCGKSA-N 1 2 313.357 2.993 20 5 DFBDLO CN(CCc1ccccc1[N+](=O)[O-])c1nc(N)c2ccccc2[nH+]1 ZINC000561360535 430087897 /nfs/dbraw/zinc/08/78/97/430087897.db2.gz WONZFAHUHREHTD-UHFFFAOYSA-N 1 2 323.356 2.799 20 5 DFBDLO CCC[C@@](C)([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(=O)OC ZINC000547285383 430383622 /nfs/dbraw/zinc/38/36/22/430383622.db2.gz SNMSMWNMMGXQTB-DZFYGRHCSA-N 1 2 306.362 2.929 20 5 DFBDLO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC000361907399 277692555 /nfs/dbraw/zinc/69/25/55/277692555.db2.gz XJOFGWCRISMHGU-HUUCEWRRSA-N 1 2 308.378 2.982 20 5 DFBDLO Cc1ccc(CCNc2ccc([N+](=O)[O-])c(OC(C)C)n2)c[nH+]1 ZINC000584182601 430468112 /nfs/dbraw/zinc/46/81/12/430468112.db2.gz GBJZQEPXCPPZNC-UHFFFAOYSA-N 1 2 316.361 3.135 20 5 DFBDLO Cc1ccc(-c2ccc(NCCCCO)[nH+]c2)cc1[N+](=O)[O-] ZINC000600791071 430534278 /nfs/dbraw/zinc/53/42/78/430534278.db2.gz PEAULLLDEAWGLF-UHFFFAOYSA-N 1 2 301.346 3.150 20 5 DFBDLO C[C@@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000552559559 430599693 /nfs/dbraw/zinc/59/96/93/430599693.db2.gz ZEEBFDQDGOYLIU-NXEZZACHSA-N 1 2 320.374 2.676 20 5 DFBDLO CC(=O)N1CC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000353919869 278042230 /nfs/dbraw/zinc/04/22/30/278042230.db2.gz KRHPQMBPLXDOHL-CYBMUJFWSA-N 1 2 319.405 2.771 20 5 DFBDLO CC(=O)N1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000353919869 278042234 /nfs/dbraw/zinc/04/22/34/278042234.db2.gz KRHPQMBPLXDOHL-CYBMUJFWSA-N 1 2 319.405 2.771 20 5 DFBDLO Cc1cc(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c(C)c[nH+]1 ZINC000556677111 430688763 /nfs/dbraw/zinc/68/87/63/430688763.db2.gz XWONURQFSFLWQS-UHFFFAOYSA-N 1 2 313.357 2.945 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000375078909 279384655 /nfs/dbraw/zinc/38/46/55/279384655.db2.gz LWJSZQLUXNRNNB-JTQLQIEISA-N 1 2 322.315 2.596 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000375078909 279384656 /nfs/dbraw/zinc/38/46/56/279384656.db2.gz LWJSZQLUXNRNNB-JTQLQIEISA-N 1 2 322.315 2.596 20 5 DFBDLO CC(C)c1[nH+]c2c(n1C)CCN(c1cc(N)ccc1[N+](=O)[O-])C2 ZINC000192792353 280672985 /nfs/dbraw/zinc/67/29/85/280672985.db2.gz LZKVTGPVMUBEOW-UHFFFAOYSA-N 1 2 315.377 2.597 20 5 DFBDLO Cc1cccc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000369084785 281226103 /nfs/dbraw/zinc/22/61/03/281226103.db2.gz OBECJVWYLCUCMD-HNNXBMFYSA-N 1 2 316.361 2.576 20 5 DFBDLO O=[N+]([O-])c1cn(Cc2c[nH+]cn2Cc2ccccc2)nc1C1CC1 ZINC000436200774 296991760 /nfs/dbraw/zinc/99/17/60/296991760.db2.gz XCKWQWHYKFIMTR-UHFFFAOYSA-N 1 2 323.356 2.962 20 5 DFBDLO CCC(CC)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448563603 297343880 /nfs/dbraw/zinc/34/38/80/297343880.db2.gz YMVBBKNTFWFQFP-UHFFFAOYSA-N 1 2 302.334 2.699 20 5 DFBDLO CC(C)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448633115 297350840 /nfs/dbraw/zinc/35/08/40/297350840.db2.gz DDYVEXAEWJPEMA-NSHDSACASA-N 1 2 302.334 2.555 20 5 DFBDLO CC(C)CCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448669595 297354821 /nfs/dbraw/zinc/35/48/21/297354821.db2.gz GZLMKXJKAYPPSN-UHFFFAOYSA-N 1 2 316.361 2.947 20 5 DFBDLO CCN(CC(F)F)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450584939 297650611 /nfs/dbraw/zinc/65/06/11/297650611.db2.gz OZBUZEFFOPEACW-UHFFFAOYSA-N 1 2 324.287 2.508 20 5 DFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000454334040 298157432 /nfs/dbraw/zinc/15/74/32/298157432.db2.gz SWKRFQTWWXOWCP-JTQLQIEISA-N 1 2 303.322 2.694 20 5 DFBDLO C[C@@H]1C[C@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000455328684 298339935 /nfs/dbraw/zinc/33/99/35/298339935.db2.gz IOPALHBWJQLOFV-PELKAZGASA-N 1 2 319.296 2.758 20 5 DFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000456386815 298514871 /nfs/dbraw/zinc/51/48/71/298514871.db2.gz NIHJEVIMMKJCAJ-NSHDSACASA-N 1 2 302.334 2.611 20 5 DFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000456390090 298515985 /nfs/dbraw/zinc/51/59/85/298515985.db2.gz OOZZWIMFWRRVNM-NSHDSACASA-N 1 2 302.334 2.611 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)c1 ZINC000456434575 298528935 /nfs/dbraw/zinc/52/89/35/298528935.db2.gz VAEMFEPHBAEPQS-JQWIXIFHSA-N 1 2 300.318 2.536 20 5 DFBDLO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1(C(F)F)CC1 ZINC000503883604 300222275 /nfs/dbraw/zinc/22/22/75/300222275.db2.gz FGHORWJFHUMUCK-SECBINFHSA-N 1 2 313.304 2.699 20 5 DFBDLO C[C@H]1CSc2ccccc2C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000375402843 300394632 /nfs/dbraw/zinc/39/46/32/300394632.db2.gz LCHAVYFTSPLZRK-NSHDSACASA-N 1 2 318.402 2.825 20 5 DFBDLO C[C@H]1CSc2ccccc2C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000375402843 300394634 /nfs/dbraw/zinc/39/46/34/300394634.db2.gz LCHAVYFTSPLZRK-NSHDSACASA-N 1 2 318.402 2.825 20 5 DFBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(Cl)o3)CC2)cn1 ZINC000535785568 301261164 /nfs/dbraw/zinc/26/11/64/301261164.db2.gz WZSRDFKQOWRFOQ-UHFFFAOYSA-N 1 2 322.752 2.558 20 5 DFBDLO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccn[nH]1 ZINC000536627966 301283863 /nfs/dbraw/zinc/28/38/63/301283863.db2.gz CIZOPBRIGJGQSL-LLVKDONJSA-N 1 2 306.391 2.978 20 5 DFBDLO Cc1cc(NC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c(C)c[nH+]1 ZINC000539257990 301339925 /nfs/dbraw/zinc/33/99/25/301339925.db2.gz UEORAKILNHNLBR-GFCCVEGCSA-N 1 2 314.345 2.911 20 5 DFBDLO Cc1cc(NC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c(C)c[nH+]1 ZINC000539257991 301339938 /nfs/dbraw/zinc/33/99/38/301339938.db2.gz UEORAKILNHNLBR-LBPRGKRZSA-N 1 2 314.345 2.911 20 5 DFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000565628525 302233518 /nfs/dbraw/zinc/23/35/18/302233518.db2.gz ZWTUREXKJYFWCR-NTEUORMPSA-N 1 2 317.389 2.551 20 5 DFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000565628525 302233521 /nfs/dbraw/zinc/23/35/21/302233521.db2.gz ZWTUREXKJYFWCR-NTEUORMPSA-N 1 2 317.389 2.551 20 5 DFBDLO C[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000565954713 302250766 /nfs/dbraw/zinc/25/07/66/302250766.db2.gz QOTDMLIKQMLUDY-RYUDHWBXSA-N 1 2 302.334 2.620 20 5 DFBDLO Cn1ccnc1[C@@H]([NH2+][C@H]1CCC[C@H]1F)c1ccc([N+](=O)[O-])cc1 ZINC000567529141 302366210 /nfs/dbraw/zinc/36/62/10/302366210.db2.gz GPXKMAUINLYESC-ILXRZTDVSA-N 1 2 318.352 2.898 20 5 DFBDLO Cc1noc([C@H](C)[N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000577747201 318214889 /nfs/dbraw/zinc/21/48/89/318214889.db2.gz TUNCAOVUIHWDQI-IOCXFXADSA-N 1 2 302.334 2.992 20 5 DFBDLO Cc1noc([C@H](C)[N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000577747201 318214892 /nfs/dbraw/zinc/21/48/92/318214892.db2.gz TUNCAOVUIHWDQI-IOCXFXADSA-N 1 2 302.334 2.992 20 5 DFBDLO COc1cccc([N+](=O)[O-])c1N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000577906313 318225359 /nfs/dbraw/zinc/22/53/59/318225359.db2.gz GNVAVYZWTMMXTM-JSGCOSHPSA-N 1 2 316.361 2.887 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CC[C@H](O)CC23CCC3)c(F)c1 ZINC000578003864 318231360 /nfs/dbraw/zinc/23/13/60/318231360.db2.gz RYXLRCQBRSEBTC-NSHDSACASA-N 1 2 312.316 2.752 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CC[C@H](O)CC23CCC3)c(F)c1 ZINC000578003864 318231363 /nfs/dbraw/zinc/23/13/63/318231363.db2.gz RYXLRCQBRSEBTC-NSHDSACASA-N 1 2 312.316 2.752 20 5 DFBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000584532785 337357323 /nfs/dbraw/zinc/35/73/23/337357323.db2.gz GCESJQDUVAOELM-NSHDSACASA-N 1 2 318.333 2.780 20 5 DFBDLO COC(=O)c1cc(Nc2ccc(N(C)C)[nH+]c2)ccc1[N+](=O)[O-] ZINC000301102148 533895646 /nfs/dbraw/zinc/89/56/46/533895646.db2.gz ZERZDMRNHWMWQA-UHFFFAOYSA-N 1 2 316.317 2.586 20 5 DFBDLO O=[N+]([O-])c1ccc(NCc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000359482241 527366714 /nfs/dbraw/zinc/36/67/14/527366714.db2.gz PYZHVGGFTFRQRR-UHFFFAOYSA-N 1 2 300.240 2.966 20 5 DFBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CCn1cc[nH+]c1 ZINC000299674090 528941825 /nfs/dbraw/zinc/94/18/25/528941825.db2.gz QCENMNHQWVBEIK-UHFFFAOYSA-N 1 2 316.361 2.619 20 5 DFBDLO CC(C)[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1F ZINC000355545714 535088161 /nfs/dbraw/zinc/08/81/61/535088161.db2.gz OQEFXEHCVIJLMC-UHFFFAOYSA-N 1 2 306.341 2.878 20 5 DFBDLO CC(C)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1F ZINC000355545714 535088167 /nfs/dbraw/zinc/08/81/67/535088167.db2.gz OQEFXEHCVIJLMC-UHFFFAOYSA-N 1 2 306.341 2.878 20 5 DFBDLO O=[N+]([O-])c1ccc2[nH]c(N[C@H]3CCN(c4cccc[nH+]4)C3)nc2c1 ZINC000278533639 214219131 /nfs/dbraw/zinc/21/91/31/214219131.db2.gz ULRSWTWIQRKFFN-NSHDSACASA-N 1 2 324.344 2.557 20 5 DFBDLO Cn1ccc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000278719265 214350670 /nfs/dbraw/zinc/35/06/70/214350670.db2.gz KYCHUDPVNYPEDT-UHFFFAOYSA-N 1 2 314.267 2.637 20 5 DFBDLO CCc1nc(CCNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)no1 ZINC000413111567 295677168 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20 5 DFBDLO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000596596525 398456506 /nfs/dbraw/zinc/45/65/06/398456506.db2.gz CBDQMFBVBIBQPX-UHFFFAOYSA-N 1 2 316.361 2.608 20 5 DFBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(O)(C(F)(F)F)CC2)cs1 ZINC000089970002 398473257 /nfs/dbraw/zinc/47/32/57/398473257.db2.gz IMSUEXLAQLMBCN-UHFFFAOYSA-N 1 2 310.297 2.546 20 5 DFBDLO CC(=O)c1cc(N2CCC[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000587866742 398472951 /nfs/dbraw/zinc/47/29/51/398472951.db2.gz UKTOHJUNWWUBEE-CQSZACIVSA-N 1 2 314.345 2.835 20 5 DFBDLO CN(C)c1[nH+]cccc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000047976287 282380079 /nfs/dbraw/zinc/38/00/79/282380079.db2.gz UDUYKTJXYRLZFK-MDZDMXLPSA-N 1 2 312.329 2.708 20 5 DFBDLO CO[C@@H](C)c1noc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000181813775 199355987 /nfs/dbraw/zinc/35/59/87/199355987.db2.gz GEUAVIIAXKKRIB-MNOVXSKESA-N 1 2 320.349 2.844 20 5 DFBDLO C[NH+](C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000030646891 398505214 /nfs/dbraw/zinc/50/52/14/398505214.db2.gz OHNZDGZEZACMLP-UHFFFAOYSA-N 1 2 315.329 2.614 20 5 DFBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000596865372 398518245 /nfs/dbraw/zinc/51/82/45/398518245.db2.gz GHCOCMYEJNNCJT-UHFFFAOYSA-N 1 2 303.322 2.599 20 5 DFBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000596865372 398518247 /nfs/dbraw/zinc/51/82/47/398518247.db2.gz GHCOCMYEJNNCJT-UHFFFAOYSA-N 1 2 303.322 2.599 20 5 DFBDLO O=C(CC[N@@H+]1CCCC(F)(F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000593047603 398529767 /nfs/dbraw/zinc/52/97/67/398529767.db2.gz AEZNBWFJRHXGFM-UHFFFAOYSA-N 1 2 313.304 2.655 20 5 DFBDLO O=C(CC[N@H+]1CCCC(F)(F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000593047603 398529772 /nfs/dbraw/zinc/52/97/72/398529772.db2.gz AEZNBWFJRHXGFM-UHFFFAOYSA-N 1 2 313.304 2.655 20 5 DFBDLO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)[C@@H](CC)CO1 ZINC000593059642 398534787 /nfs/dbraw/zinc/53/47/87/398534787.db2.gz RPRMVHNQDZFQCI-ZFWWWQNUSA-N 1 2 308.378 2.993 20 5 DFBDLO CC[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)[C@@H](CC)CO1 ZINC000593059642 398534791 /nfs/dbraw/zinc/53/47/91/398534791.db2.gz RPRMVHNQDZFQCI-ZFWWWQNUSA-N 1 2 308.378 2.993 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](CC)CO1 ZINC000593057218 398533847 /nfs/dbraw/zinc/53/38/47/398533847.db2.gz DCELIUYWCTYZRS-UONOGXRCSA-N 1 2 308.378 2.993 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](CC)CO1 ZINC000593057218 398533850 /nfs/dbraw/zinc/53/38/50/398533850.db2.gz DCELIUYWCTYZRS-UONOGXRCSA-N 1 2 308.378 2.993 20 5 DFBDLO C[C@@H](CO)C1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000593085028 398541368 /nfs/dbraw/zinc/54/13/68/398541368.db2.gz SYKLYGRPAWTMDZ-JTQLQIEISA-N 1 2 314.332 2.713 20 5 DFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1nnc(C)o1 ZINC000597200814 398589354 /nfs/dbraw/zinc/58/93/54/398589354.db2.gz ZIYBLPPRNQMARU-YRNVUSSQSA-N 1 2 302.334 2.822 20 5 DFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1nnc(C)o1 ZINC000597200814 398589359 /nfs/dbraw/zinc/58/93/59/398589359.db2.gz ZIYBLPPRNQMARU-YRNVUSSQSA-N 1 2 302.334 2.822 20 5 DFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)Cc2occc2C)c1 ZINC000590053309 398592383 /nfs/dbraw/zinc/59/23/83/398592383.db2.gz BUZIKDAHVZKPEB-UHFFFAOYSA-N 1 2 318.329 2.915 20 5 DFBDLO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)Cc2occc2C)c1 ZINC000590053309 398592385 /nfs/dbraw/zinc/59/23/85/398592385.db2.gz BUZIKDAHVZKPEB-UHFFFAOYSA-N 1 2 318.329 2.915 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000092757603 398598512 /nfs/dbraw/zinc/59/85/12/398598512.db2.gz ITTUQIXSVCFHDF-HNNXBMFYSA-N 1 2 313.357 2.987 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000092757603 398598515 /nfs/dbraw/zinc/59/85/15/398598515.db2.gz ITTUQIXSVCFHDF-HNNXBMFYSA-N 1 2 313.357 2.987 20 5 DFBDLO CC(C)Oc1cc[nH+]c(Cn2cc([N+](=O)[O-])c(C3CC3)n2)c1 ZINC000593423508 398624357 /nfs/dbraw/zinc/62/43/57/398624357.db2.gz WPESEVYRCMGSDU-UHFFFAOYSA-N 1 2 302.334 2.899 20 5 DFBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](CCC(F)(F)F)CC1 ZINC000072952997 398651166 /nfs/dbraw/zinc/65/11/66/398651166.db2.gz PGFLKLXZQSXNBL-UHFFFAOYSA-N 1 2 303.284 2.669 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594019872 398722886 /nfs/dbraw/zinc/72/28/86/398722886.db2.gz BEGOORCTLRCZOF-OAHLLOKOSA-N 1 2 306.362 2.834 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594019872 398722888 /nfs/dbraw/zinc/72/28/88/398722888.db2.gz BEGOORCTLRCZOF-OAHLLOKOSA-N 1 2 306.362 2.834 20 5 DFBDLO Cn1c[nH+]cc1[C@@H]1CCCCN1c1ncc([N+](=O)[O-])cc1F ZINC000591143122 398731764 /nfs/dbraw/zinc/73/17/64/398731764.db2.gz LYNRDTKCGFBVOL-LBPRGKRZSA-N 1 2 305.313 2.594 20 5 DFBDLO O=[N+]([O-])c1cccc2c1CCN(c1cc(NC3CC3)[nH+]cn1)C2 ZINC000591151381 398732528 /nfs/dbraw/zinc/73/25/28/398732528.db2.gz NKDTTZYODBCVFP-UHFFFAOYSA-N 1 2 311.345 2.522 20 5 DFBDLO O=[N+]([O-])c1cccc2c1CCN(c1cc(NC3CC3)nc[nH+]1)C2 ZINC000591151381 398732530 /nfs/dbraw/zinc/73/25/30/398732530.db2.gz NKDTTZYODBCVFP-UHFFFAOYSA-N 1 2 311.345 2.522 20 5 DFBDLO CCC[N@H+](CC(=O)N(C)C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116273684 283085769 /nfs/dbraw/zinc/08/57/69/283085769.db2.gz FYRAAWWOFDTALX-UHFFFAOYSA-N 1 2 313.785 2.548 20 5 DFBDLO CCC[N@@H+](CC(=O)N(C)C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116273684 283085771 /nfs/dbraw/zinc/08/57/71/283085771.db2.gz FYRAAWWOFDTALX-UHFFFAOYSA-N 1 2 313.785 2.548 20 5 DFBDLO COc1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1O ZINC000080964034 192205801 /nfs/dbraw/zinc/20/58/01/192205801.db2.gz WEGCIBAJIWISIK-UHFFFAOYSA-N 1 2 302.330 2.941 20 5 DFBDLO COc1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1O ZINC000080964034 192205805 /nfs/dbraw/zinc/20/58/05/192205805.db2.gz WEGCIBAJIWISIK-UHFFFAOYSA-N 1 2 302.330 2.941 20 5 DFBDLO Cc1cc(NCC2(O)CCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000074749371 398764378 /nfs/dbraw/zinc/76/43/78/398764378.db2.gz KORGROGTOBTYST-UHFFFAOYSA-N 1 2 314.345 2.687 20 5 DFBDLO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(c2ccc(Cl)cc2[N+](=O)[O-])C1 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20 5 DFBDLO CCOCCOCCN(C)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599068274 398916482 /nfs/dbraw/zinc/91/64/82/398916482.db2.gz IFRRWCKETIEGPY-UHFFFAOYSA-N 1 2 319.361 2.632 20 5 DFBDLO CC(C)n1cc(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])nn1 ZINC000599079426 398918244 /nfs/dbraw/zinc/91/82/44/398918244.db2.gz FROPNGJIBORISI-UHFFFAOYSA-N 1 2 312.333 2.928 20 5 DFBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC(F)(F)[C@@H](CO)C1 ZINC000599083640 398918912 /nfs/dbraw/zinc/91/89/12/398918912.db2.gz UUKFXJIYQXYFFH-LLVKDONJSA-N 1 2 323.299 2.597 20 5 DFBDLO O=[N+]([O-])c1c(N[C@@H]2CCc3[nH]c[nH+]c3C2)ccc2cnccc21 ZINC000599085434 398918994 /nfs/dbraw/zinc/91/89/94/398918994.db2.gz QTXHDNUCRIOFKI-LLVKDONJSA-N 1 2 309.329 2.836 20 5 DFBDLO O=[N+]([O-])c1c(N[C@@H]2CCc3[nH+]c[nH]c3C2)ccc2cnccc21 ZINC000599085434 398918997 /nfs/dbraw/zinc/91/89/97/398918997.db2.gz QTXHDNUCRIOFKI-LLVKDONJSA-N 1 2 309.329 2.836 20 5 DFBDLO Cc1noc(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000595423088 398935297 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Cc1ncc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 ZINC000193778984 201121037 /nfs/dbraw/zinc/12/10/37/201121037.db2.gz JIFBZEJMEHATEM-UHFFFAOYSA-N 1 2 322.346 2.900 20 5 DFBDLO Cc1ncc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 ZINC000193778984 201121041 /nfs/dbraw/zinc/12/10/41/201121041.db2.gz JIFBZEJMEHATEM-UHFFFAOYSA-N 1 2 322.346 2.900 20 5 DFBDLO O=[N+]([O-])c1cnc(NCc2cc[nH+]c(N3CCCC3)c2)s1 ZINC000195507494 201396559 /nfs/dbraw/zinc/39/65/59/201396559.db2.gz VHIXTQMRLNJZKG-UHFFFAOYSA-N 1 2 305.363 2.659 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595618901 399004796 /nfs/dbraw/zinc/00/47/96/399004796.db2.gz VFWWNUXKUBEEJQ-MRXNPFEDSA-N 1 2 306.362 2.604 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595618901 399004798 /nfs/dbraw/zinc/00/47/98/399004798.db2.gz VFWWNUXKUBEEJQ-MRXNPFEDSA-N 1 2 306.362 2.604 20 5 DFBDLO C[C@]1(C2CC2)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000595627144 399009393 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O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595821926 399099492 /nfs/dbraw/zinc/09/94/92/399099492.db2.gz IVIQROBFWWKWMS-UHFFFAOYSA-N 1 2 318.373 2.691 20 5 DFBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595821926 399099495 /nfs/dbraw/zinc/09/94/95/399099495.db2.gz IVIQROBFWWKWMS-UHFFFAOYSA-N 1 2 318.373 2.691 20 5 DFBDLO COc1cccc(N2CCC[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000613877466 399106850 /nfs/dbraw/zinc/10/68/50/399106850.db2.gz GEMVVQSMQQVFHB-GFCCVEGCSA-N 1 2 302.334 2.641 20 5 DFBDLO CCN1CCN(c2cccc(C)c2[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000338709064 284134974 /nfs/dbraw/zinc/13/49/74/284134974.db2.gz BUNXABLNWBBOCO-CQSZACIVSA-N 1 2 315.377 2.510 20 5 DFBDLO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000595855684 399113777 /nfs/dbraw/zinc/11/37/77/399113777.db2.gz FRXJTNHTDHUTDI-KLPPZKSPSA-N 1 2 312.753 2.632 20 5 DFBDLO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000595855684 399113779 /nfs/dbraw/zinc/11/37/79/399113779.db2.gz FRXJTNHTDHUTDI-KLPPZKSPSA-N 1 2 312.753 2.632 20 5 DFBDLO COCc1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)o1 ZINC000093338233 193235129 /nfs/dbraw/zinc/23/51/29/193235129.db2.gz ZKVJVBJWJDWOND-UHFFFAOYSA-N 1 2 302.330 2.893 20 5 DFBDLO COCc1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)o1 ZINC000093338233 193235130 /nfs/dbraw/zinc/23/51/30/193235130.db2.gz ZKVJVBJWJDWOND-UHFFFAOYSA-N 1 2 302.330 2.893 20 5 DFBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1=CCSC1 ZINC000595887105 399122638 /nfs/dbraw/zinc/12/26/38/399122638.db2.gz ANGRHJPCZXQWKJ-UHFFFAOYSA-N 1 2 304.375 2.576 20 5 DFBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1=CCSC1 ZINC000595887105 399122641 /nfs/dbraw/zinc/12/26/41/399122641.db2.gz ANGRHJPCZXQWKJ-UHFFFAOYSA-N 1 2 304.375 2.576 20 5 DFBDLO CC(=O)c1ccc(NC[C@@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000060380114 399127065 /nfs/dbraw/zinc/12/70/65/399127065.db2.gz GHJGLHXEQFKUMH-LLVKDONJSA-N 1 2 302.334 2.742 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2CCC(c3cc[nH]n3)CC2)c(F)c1 ZINC000340561986 284196189 /nfs/dbraw/zinc/19/61/89/284196189.db2.gz DSJTVNOFFFHRET-UHFFFAOYSA-N 1 2 322.315 2.976 20 5 DFBDLO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@](C)(C(F)F)O1 ZINC000595913370 399132783 /nfs/dbraw/zinc/13/27/83/399132783.db2.gz DAMYNPGYUDGFPO-IINYFYTJSA-N 1 2 300.305 2.839 20 5 DFBDLO C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@](C)(C(F)F)O1 ZINC000595913370 399132787 /nfs/dbraw/zinc/13/27/87/399132787.db2.gz DAMYNPGYUDGFPO-IINYFYTJSA-N 1 2 300.305 2.839 20 5 DFBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@](C)(C(F)F)O1 ZINC000595916735 399135047 /nfs/dbraw/zinc/13/50/47/399135047.db2.gz LGGGASLODFPLPS-HZMBPMFUSA-N 1 2 300.305 2.839 20 5 DFBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@](C)(C(F)F)O1 ZINC000595916735 399135049 /nfs/dbraw/zinc/13/50/49/399135049.db2.gz LGGGASLODFPLPS-HZMBPMFUSA-N 1 2 300.305 2.839 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cs1 ZINC000264647850 204053315 /nfs/dbraw/zinc/05/33/15/204053315.db2.gz ZMHHSXNMALRSSJ-PSASIEDQSA-N 1 2 310.297 2.544 20 5 DFBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cs1 ZINC000264647850 204053320 /nfs/dbraw/zinc/05/33/20/204053320.db2.gz ZMHHSXNMALRSSJ-PSASIEDQSA-N 1 2 310.297 2.544 20 5 DFBDLO O=[N+]([O-])c1cc(NCCn2cc[nH+]c2)ccc1C(F)(F)F ZINC000596060938 399158498 /nfs/dbraw/zinc/15/84/98/399158498.db2.gz YQQAMTQYWJMNFB-UHFFFAOYSA-N 1 2 300.240 2.922 20 5 DFBDLO COc1cc(N[C@H](C)Cn2cc[nH+]c2)c(Cl)cc1[N+](=O)[O-] ZINC000596079745 399165501 /nfs/dbraw/zinc/16/55/01/399165501.db2.gz WVEDIRFCCGZRNS-SECBINFHSA-N 1 2 310.741 2.954 20 5 DFBDLO COc1cc(N[C@@H](C)Cn2cc[nH+]c2)c(Cl)cc1[N+](=O)[O-] ZINC000596079746 399165657 /nfs/dbraw/zinc/16/56/57/399165657.db2.gz WVEDIRFCCGZRNS-VIFPVBQESA-N 1 2 310.741 2.954 20 5 DFBDLO O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@@H](n4cc[nH+]c4)C3)nc2c1 ZINC000618584845 399170568 /nfs/dbraw/zinc/17/05/68/399170568.db2.gz PFOJAWOMRBROHI-GFCCVEGCSA-N 1 2 312.333 2.509 20 5 DFBDLO O=[N+]([O-])c1cncc(Cl)c1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000596112197 399177148 /nfs/dbraw/zinc/17/71/48/399177148.db2.gz JHEXLVNDSWZFAP-SNVBAGLBSA-N 1 2 307.741 2.681 20 5 DFBDLO O=[N+]([O-])c1sccc1NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000063257353 399181895 /nfs/dbraw/zinc/18/18/95/399181895.db2.gz OICZVMMFGHSPRC-UHFFFAOYSA-N 1 2 320.374 2.500 20 5 DFBDLO COc1cc(NCc2cn3c([nH+]2)CCCC3)ccc1[N+](=O)[O-] ZINC000266199530 205178438 /nfs/dbraw/zinc/17/84/38/205178438.db2.gz CXGNHJHWKNRESC-UHFFFAOYSA-N 1 2 302.334 2.748 20 5 DFBDLO CC[C@@H]1C[NH+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H](CC)O1 ZINC000420954800 296217219 /nfs/dbraw/zinc/21/72/19/296217219.db2.gz VHLGBKVBVKPDBE-HUUCEWRRSA-N 1 2 308.378 2.993 20 5 DFBDLO CC[C@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@H](CC)O1 ZINC000420954927 296217221 /nfs/dbraw/zinc/21/72/21/296217221.db2.gz KSRAYVCLPJGQQB-GJZGRUSLSA-N 1 2 308.378 2.993 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H](CC)O1 ZINC000420954511 296217436 /nfs/dbraw/zinc/21/74/36/296217436.db2.gz KBNPGLUHSNMJKO-OKILXGFUSA-N 1 2 308.378 2.993 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H](CC)O1 ZINC000420954511 296217437 /nfs/dbraw/zinc/21/74/37/296217437.db2.gz KBNPGLUHSNMJKO-OKILXGFUSA-N 1 2 308.378 2.993 20 5 DFBDLO Cc1cc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000609131135 399304691 /nfs/dbraw/zinc/30/46/91/399304691.db2.gz IHSYQBPUNLAYEH-CQSZACIVSA-N 1 2 314.345 2.577 20 5 DFBDLO Cc1ccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000609131471 399304630 /nfs/dbraw/zinc/30/46/30/399304630.db2.gz QKZHGPQXWJBGRI-CQSZACIVSA-N 1 2 314.345 2.577 20 5 DFBDLO CC(C)Cn1ncnc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285163359 218316166 /nfs/dbraw/zinc/31/61/66/218316166.db2.gz AQBYUMSMUOHUQP-UHFFFAOYSA-N 1 2 317.393 2.517 20 5 DFBDLO CC(C)Cn1ncnc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285163359 218316168 /nfs/dbraw/zinc/31/61/68/218316168.db2.gz AQBYUMSMUOHUQP-UHFFFAOYSA-N 1 2 317.393 2.517 20 5 DFBDLO C[C@]1(O)CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000285303375 218373052 /nfs/dbraw/zinc/37/30/52/218373052.db2.gz MEXTZSZTAADTKE-AWEZNQCLSA-N 1 2 300.305 2.610 20 5 DFBDLO C[C@]1(O)CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000285303375 218373053 /nfs/dbraw/zinc/37/30/53/218373053.db2.gz MEXTZSZTAADTKE-AWEZNQCLSA-N 1 2 300.305 2.610 20 5 DFBDLO CO[C@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC[C@H]1C ZINC000285352738 218393172 /nfs/dbraw/zinc/39/31/72/218393172.db2.gz QCZRWTHTIMKFFJ-OTYXRUKQSA-N 1 2 300.305 2.730 20 5 DFBDLO CO[C@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC[C@H]1C ZINC000285352738 218393174 /nfs/dbraw/zinc/39/31/74/218393174.db2.gz QCZRWTHTIMKFFJ-OTYXRUKQSA-N 1 2 300.305 2.730 20 5 DFBDLO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610929460 399418824 /nfs/dbraw/zinc/41/88/24/399418824.db2.gz PFQPPQOXMFYIAQ-NSHDSACASA-N 1 2 307.741 2.681 20 5 DFBDLO CCc1ccc([C@H]2CCC[N@@H+]2Cc2cn(C)nc2[N+](=O)[O-])o1 ZINC000602473984 399454187 /nfs/dbraw/zinc/45/41/87/399454187.db2.gz NRTBLFLWUKWMLE-CYBMUJFWSA-N 1 2 304.350 2.821 20 5 DFBDLO CCc1ccc([C@H]2CCC[N@H+]2Cc2cn(C)nc2[N+](=O)[O-])o1 ZINC000602473984 399454188 /nfs/dbraw/zinc/45/41/88/399454188.db2.gz NRTBLFLWUKWMLE-CYBMUJFWSA-N 1 2 304.350 2.821 20 5 DFBDLO C[C@@H]([NH2+]Cc1cc2c(cn1)OCCO2)c1ccccc1[N+](=O)[O-] ZINC000602581071 399482227 /nfs/dbraw/zinc/48/22/27/399482227.db2.gz GYKIOHYOJMXCSD-LLVKDONJSA-N 1 2 315.329 2.612 20 5 DFBDLO O=[N+]([O-])c1cccc2ncnc(N3CCC(n4cc[nH+]c4)CC3)c21 ZINC000611565027 399492542 /nfs/dbraw/zinc/49/25/42/399492542.db2.gz UITZEFDOCXPUPG-UHFFFAOYSA-N 1 2 324.344 2.576 20 5 DFBDLO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000611576491 399495395 /nfs/dbraw/zinc/49/53/95/399495395.db2.gz OUJVEPSHTIKWSR-CQSZACIVSA-N 1 2 322.361 2.521 20 5 DFBDLO COC(=O)[C@H]1CCCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000611576491 399495397 /nfs/dbraw/zinc/49/53/97/399495397.db2.gz OUJVEPSHTIKWSR-CQSZACIVSA-N 1 2 322.361 2.521 20 5 DFBDLO C/C=C/C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)OCC ZINC000602636676 399498756 /nfs/dbraw/zinc/49/87/56/399498756.db2.gz YKACAEPQUHNOBZ-SJDLMVEWSA-N 1 2 306.362 2.625 20 5 DFBDLO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000611606586 399498439 /nfs/dbraw/zinc/49/84/39/399498439.db2.gz GKXLNDORWFMBER-CQSZACIVSA-N 1 2 306.362 2.821 20 5 DFBDLO COC(=O)[C@H]1CCCCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000611606586 399498443 /nfs/dbraw/zinc/49/84/43/399498443.db2.gz GKXLNDORWFMBER-CQSZACIVSA-N 1 2 306.362 2.821 20 5 DFBDLO O=[N+]([O-])c1ccc2ncnc(N3CCCC[C@H]3c3[nH]cc[nH+]3)c2c1 ZINC000611709905 399509175 /nfs/dbraw/zinc/50/91/75/399509175.db2.gz VAUBBTLPYABCGK-AWEZNQCLSA-N 1 2 324.344 2.993 20 5 DFBDLO C[C@@]1(F)CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000347384402 285023392 /nfs/dbraw/zinc/02/33/92/285023392.db2.gz OWFBPXWDCRXZRA-CQSZACIVSA-N 1 2 306.297 2.579 20 5 DFBDLO C[C@@]1(F)CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000347384402 285023393 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COc1ccc(C[N@H+]2CCOC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000158038789 197237678 /nfs/dbraw/zinc/23/76/78/197237678.db2.gz OGGADKBBOIBPCY-UHFFFAOYSA-N 1 2 306.362 2.748 20 5 DFBDLO Cc1ccc([C@H]2CCCC[N@H+]2Cc2cn(C)nc2[N+](=O)[O-])o1 ZINC000602785205 399572097 /nfs/dbraw/zinc/57/20/97/399572097.db2.gz SIKZGGHXLCMSNX-CYBMUJFWSA-N 1 2 304.350 2.957 20 5 DFBDLO Cc1ccc([C@H]2CCCC[N@@H+]2Cc2cn(C)nc2[N+](=O)[O-])o1 ZINC000602785205 399572100 /nfs/dbraw/zinc/57/21/00/399572100.db2.gz SIKZGGHXLCMSNX-CYBMUJFWSA-N 1 2 304.350 2.957 20 5 DFBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(CC2CC2)no1 ZINC000602827343 399591323 /nfs/dbraw/zinc/59/13/23/399591323.db2.gz YWBSMAJFFNOHPJ-UHFFFAOYSA-N 1 2 316.361 2.605 20 5 DFBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc(CC2CC2)no1 ZINC000602827343 399591331 /nfs/dbraw/zinc/59/13/31/399591331.db2.gz YWBSMAJFFNOHPJ-UHFFFAOYSA-N 1 2 316.361 2.605 20 5 DFBDLO Cn1cc(C[NH2+]C2(c3ccccc3F)CCC2)c([N+](=O)[O-])n1 ZINC000602851501 399601976 /nfs/dbraw/zinc/60/19/76/399601976.db2.gz KVBNTBQMUMVGJU-UHFFFAOYSA-N 1 2 304.325 2.636 20 5 DFBDLO CC[C@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1[nH]cc[nH+]1 ZINC000347964431 285272841 /nfs/dbraw/zinc/27/28/41/285272841.db2.gz PFOVBUUPEKQERU-LBPRGKRZSA-N 1 2 313.317 2.680 20 5 DFBDLO CCc1nnc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)[nH]1 ZINC000271597788 209045634 /nfs/dbraw/zinc/04/56/34/209045634.db2.gz ZFBTXDHBJVSKRG-MNOVXSKESA-N 1 2 303.366 2.996 20 5 DFBDLO Cn1cc[nH+]c1[C@H]1N(Cc2csc([N+](=O)[O-])c2)CC1(C)C ZINC000294936498 224322611 /nfs/dbraw/zinc/32/26/11/224322611.db2.gz ZWRIVQJZZJFWSI-GFCCVEGCSA-N 1 2 306.391 2.973 20 5 DFBDLO Cc1noc([C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2C)n1 ZINC000289938689 221329808 /nfs/dbraw/zinc/32/98/08/221329808.db2.gz XAVBEYSFWBEZLZ-CQSZACIVSA-N 1 2 302.334 2.932 20 5 DFBDLO Cc1noc([C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2C)n1 ZINC000289938689 221329813 /nfs/dbraw/zinc/32/98/13/221329813.db2.gz XAVBEYSFWBEZLZ-CQSZACIVSA-N 1 2 302.334 2.932 20 5 DFBDLO C[C@H](C(=O)Nc1ccc2[nH+]ccn2c1)c1cccc([N+](=O)[O-])c1 ZINC000617727842 399783993 /nfs/dbraw/zinc/78/39/93/399783993.db2.gz CCMDXKZHHOZWIB-NSHDSACASA-N 1 2 310.313 2.985 20 5 DFBDLO Cn1ccnc1[C@H]([NH2+][C@@H]1C[C@H]1C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000348292309 285476431 /nfs/dbraw/zinc/47/64/31/285476431.db2.gz NHVKTCNAMLPORM-JHJVBQTASA-N 1 2 322.315 2.661 20 5 DFBDLO Cc1nc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cs1 ZINC000348311980 285486332 /nfs/dbraw/zinc/48/63/32/285486332.db2.gz UJSJRUQJFNEIRN-SECBINFHSA-N 1 2 320.374 2.649 20 5 DFBDLO C[C@@H](CC1CC1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000171997927 145286451 /nfs/dbraw/zinc/28/64/51/145286451.db2.gz NYJDOIGTQRFEDG-NSHDSACASA-N 1 2 314.345 2.699 20 5 DFBDLO CCOC(=O)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000255323018 146232387 /nfs/dbraw/zinc/23/23/87/146232387.db2.gz CXHRPWJGYMNQET-ALCCZGGFSA-N 1 2 304.346 2.636 20 5 DFBDLO CCOC(=O)C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000255323018 146232389 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CCOc1ccc(C(=O)Nc2cc[nH+]cc2CC)cc1[N+](=O)[O-] ZINC000357596521 148052280 /nfs/dbraw/zinc/05/22/80/148052280.db2.gz OTSGVNUIZQMLMO-UHFFFAOYSA-N 1 2 315.329 2.625 20 5 DFBDLO CCc1c[nH+]ccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000357598666 148052993 /nfs/dbraw/zinc/05/29/93/148052993.db2.gz UCTARZWPYOBPTR-UHFFFAOYSA-N 1 2 317.370 2.705 20 5 DFBDLO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc[nH+]c2N(C)C)c1 ZINC000358251336 148303431 /nfs/dbraw/zinc/30/34/31/148303431.db2.gz AOLBGBSKAPELDB-UHFFFAOYSA-N 1 2 300.318 2.617 20 5 DFBDLO O=[N+]([O-])c1cccc(NCc2[nH+]ccn2CC(F)(F)F)c1 ZINC000359476821 148669739 /nfs/dbraw/zinc/66/97/39/148669739.db2.gz CCCZEDHHNARFBA-UHFFFAOYSA-N 1 2 300.240 2.966 20 5 DFBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@]2(CCCOC2)O1 ZINC000361107852 149029897 /nfs/dbraw/zinc/02/98/97/149029897.db2.gz AYRHPXYLJKHNBF-BLLLJJGKSA-N 1 2 324.352 2.504 20 5 DFBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@]2(CCCOC2)O1 ZINC000361107852 149029899 /nfs/dbraw/zinc/02/98/99/149029899.db2.gz AYRHPXYLJKHNBF-BLLLJJGKSA-N 1 2 324.352 2.504 20 5 DFBDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000361193696 149051354 /nfs/dbraw/zinc/05/13/54/149051354.db2.gz IQRWAILLZLOASI-LLVKDONJSA-N 1 2 318.329 2.848 20 5 DFBDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000361193696 149051357 /nfs/dbraw/zinc/05/13/57/149051357.db2.gz IQRWAILLZLOASI-LLVKDONJSA-N 1 2 318.329 2.848 20 5 DFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](COCC2CC2)C1 ZINC000362590049 149316798 /nfs/dbraw/zinc/31/67/98/149316798.db2.gz IPHOXVWABXBFDH-DYVFJYSZSA-N 1 2 320.389 2.783 20 5 DFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](COCC2CC2)C1 ZINC000362590049 149316800 /nfs/dbraw/zinc/31/68/00/149316800.db2.gz IPHOXVWABXBFDH-DYVFJYSZSA-N 1 2 320.389 2.783 20 5 DFBDLO Cc1c(C[N@@H+]2CCO[C@@H](COCC3CC3)C2)cccc1[N+](=O)[O-] ZINC000362597542 149319298 /nfs/dbraw/zinc/31/92/98/149319298.db2.gz YKZQWKWPUREVOR-MRXNPFEDSA-N 1 2 320.389 2.531 20 5 DFBDLO Cc1c(C[N@H+]2CCO[C@@H](COCC3CC3)C2)cccc1[N+](=O)[O-] ZINC000362597542 149319300 /nfs/dbraw/zinc/31/93/00/149319300.db2.gz YKZQWKWPUREVOR-MRXNPFEDSA-N 1 2 320.389 2.531 20 5 DFBDLO CCc1c[nH+]ccc1NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000362759560 149359817 /nfs/dbraw/zinc/35/98/17/149359817.db2.gz MIHYYWNLTCULJS-UHFFFAOYSA-N 1 2 317.370 2.948 20 5 DFBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000371429685 150045626 /nfs/dbraw/zinc/04/56/26/150045626.db2.gz GFYWYSZXRONMIC-CYBMUJFWSA-N 1 2 302.334 2.534 20 5 DFBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000371429685 150045628 /nfs/dbraw/zinc/04/56/28/150045628.db2.gz GFYWYSZXRONMIC-CYBMUJFWSA-N 1 2 302.334 2.534 20 5 DFBDLO CC(C)OC[C@@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000372166617 150144012 /nfs/dbraw/zinc/14/40/12/150144012.db2.gz JLXYPDORWBGRQG-CJNGLKHVSA-N 1 2 308.378 2.782 20 5 DFBDLO CC(C)OC[C@@H]1C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000372166617 150144015 /nfs/dbraw/zinc/14/40/15/150144015.db2.gz JLXYPDORWBGRQG-CJNGLKHVSA-N 1 2 308.378 2.782 20 5 DFBDLO COc1cc(C[N@@H+]2CCn3cccc3[C@@H]2C)ccc1[N+](=O)[O-] ZINC000351970711 286257501 /nfs/dbraw/zinc/25/75/01/286257501.db2.gz HTAGKSKEVKCXHR-LBPRGKRZSA-N 1 2 301.346 2.982 20 5 DFBDLO COc1cc(C[N@H+]2CCn3cccc3[C@@H]2C)ccc1[N+](=O)[O-] ZINC000351970711 286257503 /nfs/dbraw/zinc/25/75/03/286257503.db2.gz HTAGKSKEVKCXHR-LBPRGKRZSA-N 1 2 301.346 2.982 20 5 DFBDLO CC1(C)C[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000352291597 286337695 /nfs/dbraw/zinc/33/76/95/286337695.db2.gz YOCCYPBTHOEFOZ-LBPRGKRZSA-N 1 2 314.345 2.556 20 5 DFBDLO COc1ccc([N+](=O)[O-])c(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000268221672 286383164 /nfs/dbraw/zinc/38/31/64/286383164.db2.gz CSEANKIJWDUIPK-LRDDRELGSA-N 1 2 316.361 2.887 20 5 DFBDLO COc1cc(C[N@@H+]2CCS[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000131362226 196161651 /nfs/dbraw/zinc/16/16/51/196161651.db2.gz LNIZRXADGNFWJU-JTQLQIEISA-N 1 2 312.391 2.549 20 5 DFBDLO COc1cc(C[N@H+]2CCS[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000131362226 196161653 /nfs/dbraw/zinc/16/16/53/196161653.db2.gz LNIZRXADGNFWJU-JTQLQIEISA-N 1 2 312.391 2.549 20 5 DFBDLO Cc1cc(C(=O)NCc2[nH+]ccn2CC(C)C)cc([N+](=O)[O-])c1 ZINC000131471982 196171686 /nfs/dbraw/zinc/17/16/86/196171686.db2.gz DZZVJECNAJNHDQ-UHFFFAOYSA-N 1 2 316.361 2.686 20 5 DFBDLO COc1cc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000134092717 196360463 /nfs/dbraw/zinc/36/04/63/196360463.db2.gz GTNQIEHRGVPKHV-DOMZBBRYSA-N 1 2 316.361 2.887 20 5 DFBDLO CN(Cc1ccc(N)[nH+]c1)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000135985102 196513298 /nfs/dbraw/zinc/51/32/98/196513298.db2.gz NOVZUHWBGUUDAB-UHFFFAOYSA-N 1 2 309.329 2.757 20 5 DFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000295581320 225011983 /nfs/dbraw/zinc/01/19/83/225011983.db2.gz ZNRXKHOCQUKSEM-IAQYHMDHSA-N 1 2 309.341 2.746 20 5 DFBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@](C)(F)C1 ZINC000295581320 225011986 /nfs/dbraw/zinc/01/19/86/225011986.db2.gz ZNRXKHOCQUKSEM-IAQYHMDHSA-N 1 2 309.341 2.746 20 5 DFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@H](C)C1 ZINC000299645779 229295337 /nfs/dbraw/zinc/29/53/37/229295337.db2.gz NNOXNLBWBPYMJC-VHSXEESVSA-N 1 2 311.769 2.917 20 5 DFBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@H](C)C1 ZINC000299645779 229295342 /nfs/dbraw/zinc/29/53/42/229295342.db2.gz NNOXNLBWBPYMJC-VHSXEESVSA-N 1 2 311.769 2.917 20 5 DFBDLO Cc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000007975895 425657047 /nfs/dbraw/zinc/65/70/47/425657047.db2.gz DAEVCRBAONIKMZ-UHFFFAOYSA-N 1 2 303.318 2.567 20 5 DFBDLO Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000007975895 425657051 /nfs/dbraw/zinc/65/70/51/425657051.db2.gz DAEVCRBAONIKMZ-UHFFFAOYSA-N 1 2 303.318 2.567 20 5 DFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccco1 ZINC000008197663 425663253 /nfs/dbraw/zinc/66/32/53/425663253.db2.gz XLHWNZXOECZTJW-NSHDSACASA-N 1 2 303.318 2.647 20 5 DFBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccco1 ZINC000008197663 425663257 /nfs/dbraw/zinc/66/32/57/425663257.db2.gz XLHWNZXOECZTJW-NSHDSACASA-N 1 2 303.318 2.647 20 5 DFBDLO Cc1ccc(C(=O)NCCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000010355899 425701795 /nfs/dbraw/zinc/70/17/95/425701795.db2.gz ZMQUNNGGBMZWLP-UHFFFAOYSA-N 1 2 324.340 2.523 20 5 DFBDLO CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599590 425865624 /nfs/dbraw/zinc/86/56/24/425865624.db2.gz QOVIRNIHPHAKKO-CHWSQXEVSA-N 1 2 307.394 2.720 20 5 DFBDLO CCC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046599590 425865625 /nfs/dbraw/zinc/86/56/25/425865625.db2.gz QOVIRNIHPHAKKO-CHWSQXEVSA-N 1 2 307.394 2.720 20 5 DFBDLO Cc1sc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000299683466 268320820 /nfs/dbraw/zinc/32/08/20/268320820.db2.gz SQDRUICBLCMTTI-UHFFFAOYSA-N 1 2 320.374 2.708 20 5 DFBDLO CC[C@@H](NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000318235779 268345970 /nfs/dbraw/zinc/34/59/70/268345970.db2.gz AINOCAQDQIUMTG-ZWNOBZJWSA-N 1 2 302.334 2.689 20 5 DFBDLO CNC(=O)c1ccc(C[N@H+](C)Cc2csc([N+](=O)[O-])c2)cc1 ZINC000108205035 426012108 /nfs/dbraw/zinc/01/21/08/426012108.db2.gz LKPGYGUGDWCAAY-UHFFFAOYSA-N 1 2 319.386 2.648 20 5 DFBDLO CNC(=O)c1ccc(C[N@@H+](C)Cc2csc([N+](=O)[O-])c2)cc1 ZINC000108205035 426012110 /nfs/dbraw/zinc/01/21/10/426012110.db2.gz LKPGYGUGDWCAAY-UHFFFAOYSA-N 1 2 319.386 2.648 20 5 DFBDLO C[C@H](c1ccccn1)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000128129045 426103966 /nfs/dbraw/zinc/10/39/66/426103966.db2.gz GAHWOFQXJMYTRP-GFCCVEGCSA-N 1 2 314.345 2.621 20 5 DFBDLO C[C@H](c1ccccn1)[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000128129045 426103969 /nfs/dbraw/zinc/10/39/69/426103969.db2.gz GAHWOFQXJMYTRP-GFCCVEGCSA-N 1 2 314.345 2.621 20 5 DFBDLO CCC[NH+](CCC)CCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000076465827 426112559 /nfs/dbraw/zinc/11/25/59/426112559.db2.gz PTPRQIRKBWJUFM-UHFFFAOYSA-N 1 2 323.393 2.542 20 5 DFBDLO CCN(CC)c1ccc(Nc2c([N+](=O)[O-])c(C)nn2C)c[nH+]1 ZINC000114708853 426142101 /nfs/dbraw/zinc/14/21/01/426142101.db2.gz HFGVIMFXLAXPOL-UHFFFAOYSA-N 1 2 304.354 2.622 20 5 DFBDLO CCOc1cc(N(C)CCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000133021829 426171006 /nfs/dbraw/zinc/17/10/06/426171006.db2.gz IGGHGHAMHDQFSE-UHFFFAOYSA-N 1 2 304.350 2.717 20 5 DFBDLO O=C(C[N@@H+]1CCC[C@@H]1c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000116294810 426185485 /nfs/dbraw/zinc/18/54/85/426185485.db2.gz PNRZBRPRVQZGCF-CQSZACIVSA-N 1 2 315.329 2.963 20 5 DFBDLO O=C(C[N@H+]1CCC[C@@H]1c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000116294810 426185487 /nfs/dbraw/zinc/18/54/87/426185487.db2.gz PNRZBRPRVQZGCF-CQSZACIVSA-N 1 2 315.329 2.963 20 5 DFBDLO Cc1cc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000174248604 426252687 /nfs/dbraw/zinc/25/26/87/426252687.db2.gz KZZPBRVRZZYHDB-UHFFFAOYSA-N 1 2 317.345 2.935 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)[nH+]c1C ZINC000119160284 426267566 /nfs/dbraw/zinc/26/75/66/426267566.db2.gz DHVOHJIQNGZZCH-UHFFFAOYSA-N 1 2 301.302 2.868 20 5 DFBDLO CCCCN(CC)C(=O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606256 426277487 /nfs/dbraw/zinc/27/74/87/426277487.db2.gz MPWCJTLNVGNQQG-UHFFFAOYSA-N 1 2 319.405 2.602 20 5 DFBDLO CCCCN(CC)C(=O)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606256 426277490 /nfs/dbraw/zinc/27/74/90/426277490.db2.gz MPWCJTLNVGNQQG-UHFFFAOYSA-N 1 2 319.405 2.602 20 5 DFBDLO CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605388 426277751 /nfs/dbraw/zinc/27/77/51/426277751.db2.gz HBKHVZQVBRHAIP-QWHCGFSZSA-N 1 2 319.405 2.646 20 5 DFBDLO CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088605388 426277752 /nfs/dbraw/zinc/27/77/52/426277752.db2.gz HBKHVZQVBRHAIP-QWHCGFSZSA-N 1 2 319.405 2.646 20 5 DFBDLO C[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000153772766 426405789 /nfs/dbraw/zinc/40/57/89/426405789.db2.gz YDODJCGMYKXOFK-SNVBAGLBSA-N 1 2 322.752 2.511 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](c1nccn1C)C1CC1 ZINC000122341771 426369856 /nfs/dbraw/zinc/36/98/56/426369856.db2.gz IJQGUYKKKUBUOT-HNNXBMFYSA-N 1 2 316.361 2.578 20 5 DFBDLO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1n1cc[nH+]c1 ZINC000123032502 426410452 /nfs/dbraw/zinc/41/04/52/426410452.db2.gz YUUHJOPWVSWKKN-WDEREUQCSA-N 1 2 320.374 2.576 20 5 DFBDLO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@H](C)[S@@]1=O ZINC000289258381 426614275 /nfs/dbraw/zinc/61/42/75/426614275.db2.gz FOJUEZUCRDWXAK-HUTJROTASA-N 1 2 310.419 2.635 20 5 DFBDLO CC[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@H](C)[S@@]1=O ZINC000289258381 426614279 /nfs/dbraw/zinc/61/42/79/426614279.db2.gz FOJUEZUCRDWXAK-HUTJROTASA-N 1 2 310.419 2.635 20 5 DFBDLO COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000280758887 426650315 /nfs/dbraw/zinc/65/03/15/426650315.db2.gz FGEGGEZKWJVOCP-LLVKDONJSA-N 1 2 318.329 2.848 20 5 DFBDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000280758887 426650320 /nfs/dbraw/zinc/65/03/20/426650320.db2.gz FGEGGEZKWJVOCP-LLVKDONJSA-N 1 2 318.329 2.848 20 5 DFBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000281792062 426766665 /nfs/dbraw/zinc/76/66/65/426766665.db2.gz MCUCRQAPHJGXBQ-LLVKDONJSA-N 1 2 318.333 2.772 20 5 DFBDLO CCCN1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1=O ZINC000189208798 426829802 /nfs/dbraw/zinc/82/98/02/426829802.db2.gz LKACREXDWMZKFF-VMPITWQZSA-N 1 2 317.389 2.552 20 5 DFBDLO CCCN1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1=O ZINC000189208798 426829805 /nfs/dbraw/zinc/82/98/05/426829805.db2.gz LKACREXDWMZKFF-VMPITWQZSA-N 1 2 317.389 2.552 20 5 DFBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000295342025 426918264 /nfs/dbraw/zinc/91/82/64/426918264.db2.gz BGENSEAYQAJCKZ-ZDUSSCGKSA-N 1 2 314.345 2.552 20 5 DFBDLO CC(C)[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCOC1 ZINC000292023343 427060652 /nfs/dbraw/zinc/06/06/52/427060652.db2.gz YMFSOIMFKZORFT-JTQLQIEISA-N 1 2 300.305 2.872 20 5 DFBDLO CC(C)[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCOC1 ZINC000292023343 427060659 /nfs/dbraw/zinc/06/06/59/427060659.db2.gz YMFSOIMFKZORFT-JTQLQIEISA-N 1 2 300.305 2.872 20 5 DFBDLO Cc1nc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000268470854 427029170 /nfs/dbraw/zinc/02/91/70/427029170.db2.gz JFGSOVQZBUMSCI-RISCZKNCSA-N 1 2 301.350 2.582 20 5 DFBDLO COc1ccnc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1OC ZINC000276458396 427073377 /nfs/dbraw/zinc/07/33/77/427073377.db2.gz VXAFKOOWYSBULK-LLVKDONJSA-N 1 2 317.345 2.858 20 5 DFBDLO Cc1ccoc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000292163646 427116544 /nfs/dbraw/zinc/11/65/44/427116544.db2.gz KYCBKCDFDIBYHU-LBPRGKRZSA-N 1 2 317.345 2.955 20 5 DFBDLO Cc1ccoc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000292163646 427116549 /nfs/dbraw/zinc/11/65/49/427116549.db2.gz KYCBKCDFDIBYHU-LBPRGKRZSA-N 1 2 317.345 2.955 20 5 DFBDLO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nnnn2C2CC2)cc1[N+](=O)[O-] ZINC000190619209 427147246 /nfs/dbraw/zinc/14/72/46/427147246.db2.gz KPCJOGOBVPUUAT-GHMZBOCLSA-N 1 2 316.365 2.636 20 5 DFBDLO CCOC(=O)[C@H](C)[N@H+](Cc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000190836403 271222527 /nfs/dbraw/zinc/22/25/27/271222527.db2.gz INZHBNDEZADVGL-LBPRGKRZSA-N 1 2 306.362 2.819 20 5 DFBDLO CCOC(=O)[C@H](C)[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000190836403 271222531 /nfs/dbraw/zinc/22/25/31/271222531.db2.gz INZHBNDEZADVGL-LBPRGKRZSA-N 1 2 306.362 2.819 20 5 DFBDLO CCOC(=O)[C@@H](C)[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000190820211 427184659 /nfs/dbraw/zinc/18/46/59/427184659.db2.gz KVBNMSFUOYETAL-LLVKDONJSA-N 1 2 322.361 2.519 20 5 DFBDLO CCOC(=O)[C@@H](C)[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000190820211 427184661 /nfs/dbraw/zinc/18/46/61/427184661.db2.gz KVBNMSFUOYETAL-LLVKDONJSA-N 1 2 322.361 2.519 20 5 DFBDLO C[C@@H]1CCC[C@H](CO)[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285479059 427243899 /nfs/dbraw/zinc/24/38/99/427243899.db2.gz CMOWTDTZZAGFSZ-NXEZZACHSA-N 1 2 300.305 2.608 20 5 DFBDLO C[C@@H]1CCC[C@H](CO)[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285479059 427243905 /nfs/dbraw/zinc/24/39/05/427243905.db2.gz CMOWTDTZZAGFSZ-NXEZZACHSA-N 1 2 300.305 2.608 20 5 DFBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccncc1F ZINC000338356900 427277167 /nfs/dbraw/zinc/27/71/67/427277167.db2.gz NWJRXBNYNBONTI-JTQLQIEISA-N 1 2 305.309 2.988 20 5 DFBDLO CCOc1cc(C[N@@H+]2C[C@H](C)OC[C@H]2CC)ccc1[N+](=O)[O-] ZINC000331132977 427353367 /nfs/dbraw/zinc/35/33/67/427353367.db2.gz BRRFHVSHEZOHAD-GXTWGEPZSA-N 1 2 308.378 2.993 20 5 DFBDLO CCOc1cc(C[N@H+]2C[C@H](C)OC[C@H]2CC)ccc1[N+](=O)[O-] ZINC000331132977 427353369 /nfs/dbraw/zinc/35/33/69/427353369.db2.gz BRRFHVSHEZOHAD-GXTWGEPZSA-N 1 2 308.378 2.993 20 5 DFBDLO COc1cc(CSc2nc(N)cc(C)[nH+]2)c([N+](=O)[O-])cc1F ZINC000183836331 427349488 /nfs/dbraw/zinc/34/94/88/427349488.db2.gz DVELACCOCPHBFC-UHFFFAOYSA-N 1 2 324.337 2.715 20 5 DFBDLO COCC[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000271050111 427389853 /nfs/dbraw/zinc/38/98/53/427389853.db2.gz UVNRXZYNOHAMNK-UHFFFAOYSA-N 1 2 307.375 2.797 20 5 DFBDLO COCC[N@@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000271050111 427389859 /nfs/dbraw/zinc/38/98/59/427389859.db2.gz UVNRXZYNOHAMNK-UHFFFAOYSA-N 1 2 307.375 2.797 20 5 DFBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000278147574 427419622 /nfs/dbraw/zinc/41/96/22/427419622.db2.gz BURZTXWFVJHSEX-ZDUSSCGKSA-N 1 2 309.322 2.504 20 5 DFBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000278147574 427419628 /nfs/dbraw/zinc/41/96/28/427419628.db2.gz BURZTXWFVJHSEX-ZDUSSCGKSA-N 1 2 309.322 2.504 20 5 DFBDLO CCOc1cc(C[N@H+]2C[C@@H](CC)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000331198323 427368213 /nfs/dbraw/zinc/36/82/13/427368213.db2.gz ZCWFWGDUMFAYRO-GXTWGEPZSA-N 1 2 308.378 2.993 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCCC[C@H]2CCO)c(F)c1 ZINC000285901464 427368276 /nfs/dbraw/zinc/36/82/76/427368276.db2.gz GWTRJCSQFVNAFV-JTQLQIEISA-N 1 2 300.305 2.610 20 5 DFBDLO CCOc1cc(C[N@@H+]2C[C@@H](CC)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000331198323 427368216 /nfs/dbraw/zinc/36/82/16/427368216.db2.gz ZCWFWGDUMFAYRO-GXTWGEPZSA-N 1 2 308.378 2.993 20 5 DFBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCCC[C@H]2CCO)c(F)c1 ZINC000285901464 427368284 /nfs/dbraw/zinc/36/82/84/427368284.db2.gz GWTRJCSQFVNAFV-JTQLQIEISA-N 1 2 300.305 2.610 20 5 DFBDLO O=[N+]([O-])c1ccc2[nH]c(CNc3cc[nH+]c(C4CC4)n3)nc2c1 ZINC000277950737 427369454 /nfs/dbraw/zinc/36/94/54/427369454.db2.gz JZAMWLHKDHXZAA-UHFFFAOYSA-N 1 2 310.317 2.751 20 5 DFBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2cc[nH]n2)cc(C(F)(F)F)c1 ZINC000278849742 427476024 /nfs/dbraw/zinc/47/60/24/427476024.db2.gz WUCYPMAPXMUQFM-UHFFFAOYSA-N 1 2 300.240 2.627 20 5 DFBDLO C[C@@H](Cn1cc[nH+]c1)Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278407750 427434590 /nfs/dbraw/zinc/43/45/90/427434590.db2.gz NKFWXPFNNZUVER-QMMMGPOBSA-N 1 2 315.255 2.706 20 5 DFBDLO O=[N+]([O-])c1cnn(CC[N@H+](Cc2c(F)cccc2F)C2CC2)c1 ZINC000192298735 427516976 /nfs/dbraw/zinc/51/69/76/427516976.db2.gz LJLXHWRVFURTLX-UHFFFAOYSA-N 1 2 322.315 2.734 20 5 DFBDLO O=[N+]([O-])c1cnn(CC[N@@H+](Cc2c(F)cccc2F)C2CC2)c1 ZINC000192298735 427516979 /nfs/dbraw/zinc/51/69/79/427516979.db2.gz LJLXHWRVFURTLX-UHFFFAOYSA-N 1 2 322.315 2.734 20 5 DFBDLO CC[C@@H](NC(=O)CCc1[nH]cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000279272703 427619980 /nfs/dbraw/zinc/61/99/80/427619980.db2.gz WLRIRMVLEVAICD-CYBMUJFWSA-N 1 2 302.334 2.518 20 5 DFBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000271520401 427569816 /nfs/dbraw/zinc/56/98/16/427569816.db2.gz MLOFLOLIEKPWAO-CQSZACIVSA-N 1 2 319.361 2.646 20 5 DFBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000271520401 427569823 /nfs/dbraw/zinc/56/98/23/427569823.db2.gz MLOFLOLIEKPWAO-CQSZACIVSA-N 1 2 319.361 2.646 20 5 DFBDLO CCCN(CCC)C(=O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192636909 427577358 /nfs/dbraw/zinc/57/73/58/427577358.db2.gz WKZVGMAVTAIDPN-UHFFFAOYSA-N 1 2 307.394 2.675 20 5 DFBDLO CCCN(CCC)C(=O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000192636909 427577364 /nfs/dbraw/zinc/57/73/64/427577364.db2.gz WKZVGMAVTAIDPN-UHFFFAOYSA-N 1 2 307.394 2.675 20 5 DFBDLO Cc1cnn([C@H]2CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)c1 ZINC000332367100 427592115 /nfs/dbraw/zinc/59/21/15/427592115.db2.gz VYUZZFSJBCTODU-AWEZNQCLSA-N 1 2 316.361 2.642 20 5 DFBDLO Cc1cnn([C@H]2CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)c1 ZINC000332367100 427592123 /nfs/dbraw/zinc/59/21/23/427592123.db2.gz VYUZZFSJBCTODU-AWEZNQCLSA-N 1 2 316.361 2.642 20 5 DFBDLO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339037381 427641417 /nfs/dbraw/zinc/64/14/17/427641417.db2.gz KXHSIWCVBXRHDR-SJCJKPOMSA-N 1 2 322.405 2.967 20 5 DFBDLO Cn1cc[nH+]c1[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000343264448 272108527 /nfs/dbraw/zinc/10/85/27/272108527.db2.gz KSIFXCUJAZWSQH-LLVKDONJSA-N 1 2 307.741 2.940 20 5 DFBDLO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000343649443 272193769 /nfs/dbraw/zinc/19/37/69/272193769.db2.gz HWDWUWBIGZZRSG-MRXNPFEDSA-N 1 2 323.356 2.635 20 5 DFBDLO C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000344238802 272294121 /nfs/dbraw/zinc/29/41/21/272294121.db2.gz QBJBRUPCRMISPN-SNVBAGLBSA-N 1 2 322.315 2.689 20 5 DFBDLO C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000344238802 272294124 /nfs/dbraw/zinc/29/41/24/272294124.db2.gz QBJBRUPCRMISPN-SNVBAGLBSA-N 1 2 322.315 2.689 20 5 DFBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000339138643 427697696 /nfs/dbraw/zinc/69/76/96/427697696.db2.gz XHNVZMFGBPSASR-UHFFFAOYSA-N 1 2 323.312 2.736 20 5 DFBDLO CCOC1CC2(C1)CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000339194382 427726220 /nfs/dbraw/zinc/72/62/20/427726220.db2.gz MUFPEUYMWPDLQB-UHFFFAOYSA-N 1 2 306.362 2.691 20 5 DFBDLO CCOC1CC2(C1)CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000339194382 427726225 /nfs/dbraw/zinc/72/62/25/427726225.db2.gz MUFPEUYMWPDLQB-UHFFFAOYSA-N 1 2 306.362 2.691 20 5 DFBDLO COc1cc(N2CCC(n3cc[nH+]c3)CC2)ccc1[N+](=O)[O-] ZINC000301400473 427793876 /nfs/dbraw/zinc/79/38/76/427793876.db2.gz IKDANGUZFMYXIS-UHFFFAOYSA-N 1 2 302.334 2.641 20 5 DFBDLO Nc1nc(NCCNc2ccccc2[N+](=O)[O-])[nH+]c2ccccc12 ZINC000301752913 427821602 /nfs/dbraw/zinc/82/16/02/427821602.db2.gz BPPZPRLXCRNRMT-UHFFFAOYSA-N 1 2 324.344 2.644 20 5 DFBDLO CCOC(=O)C(C)(C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000339785685 427829412 /nfs/dbraw/zinc/82/94/12/427829412.db2.gz KKDMNWCWCZKVNY-UHFFFAOYSA-N 1 2 324.377 2.767 20 5 DFBDLO CCOC(=O)C(C)(C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000339785685 427829414 /nfs/dbraw/zinc/82/94/14/427829414.db2.gz KKDMNWCWCZKVNY-UHFFFAOYSA-N 1 2 324.377 2.767 20 5 DFBDLO CC(C)(C)Oc1cc(NCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000301851543 427829875 /nfs/dbraw/zinc/82/98/75/427829875.db2.gz BGQAOGSYODNFEJ-UHFFFAOYSA-N 1 2 323.393 2.516 20 5 DFBDLO CC(C)C[C@H](CNc1sccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000301929237 427842676 /nfs/dbraw/zinc/84/26/76/427842676.db2.gz JIHWDBKJFBSSQM-GFCCVEGCSA-N 1 2 313.423 2.815 20 5 DFBDLO CCOc1cc(N2CCC[C@@H]2Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000301946541 427844329 /nfs/dbraw/zinc/84/43/29/427844329.db2.gz CGMLVAIJDDHYLD-CQSZACIVSA-N 1 2 316.361 2.859 20 5 DFBDLO O=[N+]([O-])c1ccccc1C[NH2+][C@H](CO)c1c(F)cccc1F ZINC000359521981 427888145 /nfs/dbraw/zinc/88/81/45/427888145.db2.gz ORHVUUKZBPYXGO-CYBMUJFWSA-N 1 2 308.284 2.696 20 5 DFBDLO Cc1cc(-c2noc(C[C@H](C)n3cc[nH+]c3)n2)cc([N+](=O)[O-])c1 ZINC000351459860 428093682 /nfs/dbraw/zinc/09/36/82/428093682.db2.gz VGXVMAJQGBOLJB-NSHDSACASA-N 1 2 313.317 2.953 20 5 DFBDLO O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356276593 428100077 /nfs/dbraw/zinc/10/00/77/428100077.db2.gz ZAMPLCZSRXWBQL-UHFFFAOYSA-N 1 2 324.296 2.943 20 5 DFBDLO CCc1ccc([C@H]2CCC[N@@H+]2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000370057406 428122763 /nfs/dbraw/zinc/12/27/63/428122763.db2.gz WYKNHIMHMDLUTC-GFCCVEGCSA-N 1 2 304.350 2.821 20 5 DFBDLO CCc1ccc([C@H]2CCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)o1 ZINC000370057406 428122768 /nfs/dbraw/zinc/12/27/68/428122768.db2.gz WYKNHIMHMDLUTC-GFCCVEGCSA-N 1 2 304.350 2.821 20 5 DFBDLO COc1c(C(=O)Nc2ccc(C)[nH+]c2C)cccc1[N+](=O)[O-] ZINC000356359005 428143908 /nfs/dbraw/zinc/14/39/08/428143908.db2.gz QCAMSAXJDNKGNJ-UHFFFAOYSA-N 1 2 301.302 2.868 20 5 DFBDLO Cc1noc(C)c1CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352712381 428216656 /nfs/dbraw/zinc/21/66/56/428216656.db2.gz ZUKONTXRGOYBSN-UHFFFAOYSA-N 1 2 317.345 2.637 20 5 DFBDLO Cc1noc(C)c1CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352712381 428216660 /nfs/dbraw/zinc/21/66/60/428216660.db2.gz ZUKONTXRGOYBSN-UHFFFAOYSA-N 1 2 317.345 2.637 20 5 DFBDLO Cc1nc(C2CC[NH+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000370378064 428195973 /nfs/dbraw/zinc/19/59/73/428195973.db2.gz WYICSFIFIVHZLW-UHFFFAOYSA-N 1 2 319.340 2.540 20 5 DFBDLO Cc1nnc(C2CC[NH+](Cc3cc(F)ccc3[N+](=O)[O-])CC2)[nH]1 ZINC000370378064 428195974 /nfs/dbraw/zinc/19/59/74/428195974.db2.gz WYICSFIFIVHZLW-UHFFFAOYSA-N 1 2 319.340 2.540 20 5 DFBDLO CCOCCOCC[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000346656766 428259037 /nfs/dbraw/zinc/25/90/37/428259037.db2.gz QXVGMAVYZPGJID-UHFFFAOYSA-N 1 2 316.785 2.733 20 5 DFBDLO CCOCCOCC[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000346656766 428259039 /nfs/dbraw/zinc/25/90/39/428259039.db2.gz QXVGMAVYZPGJID-UHFFFAOYSA-N 1 2 316.785 2.733 20 5 DFBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000378490069 428411195 /nfs/dbraw/zinc/41/11/95/428411195.db2.gz QIVGTFSXWOLTSD-AWEZNQCLSA-N 1 2 302.334 2.534 20 5 DFBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000378490069 428411203 /nfs/dbraw/zinc/41/12/03/428411203.db2.gz QIVGTFSXWOLTSD-AWEZNQCLSA-N 1 2 302.334 2.534 20 5 DFBDLO COc1ccc(C[NH2+][C@H]2COc3cccc(F)c32)cc1[N+](=O)[O-] ZINC000360714976 428413096 /nfs/dbraw/zinc/41/30/96/428413096.db2.gz RSQSOTGCBKQPTM-LBPRGKRZSA-N 1 2 318.304 2.966 20 5 DFBDLO CC/C=C/CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000342282124 428381941 /nfs/dbraw/zinc/38/19/41/428381941.db2.gz YKZOMXCEMHOGOR-ONEGZZNKSA-N 1 2 323.418 2.770 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000372701540 428490419 /nfs/dbraw/zinc/49/04/19/428490419.db2.gz JZVFBVVXUVZBAI-CYBMUJFWSA-N 1 2 322.315 2.944 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000372701540 428490423 /nfs/dbraw/zinc/49/04/23/428490423.db2.gz JZVFBVVXUVZBAI-CYBMUJFWSA-N 1 2 322.315 2.944 20 5 DFBDLO COc1cc(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000348249011 428677785 /nfs/dbraw/zinc/67/77/85/428677785.db2.gz XODBUQFPIIJOJI-BZNIZROVSA-N 1 2 306.362 2.603 20 5 DFBDLO COc1cc(C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000348249011 428677789 /nfs/dbraw/zinc/67/77/89/428677789.db2.gz XODBUQFPIIJOJI-BZNIZROVSA-N 1 2 306.362 2.603 20 5 DFBDLO O=C(C[N@@H+]1CC[C@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000348539345 428778327 /nfs/dbraw/zinc/77/83/27/428778327.db2.gz MGNBEPAZDNQURZ-HNNXBMFYSA-N 1 2 311.341 2.980 20 5 DFBDLO O=C(C[N@H+]1CC[C@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000348539345 428778330 /nfs/dbraw/zinc/77/83/30/428778330.db2.gz MGNBEPAZDNQURZ-HNNXBMFYSA-N 1 2 311.341 2.980 20 5 DFBDLO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H](Oc3cc[nH+]cc3)C2)n1 ZINC000359099273 428817288 /nfs/dbraw/zinc/81/72/88/428817288.db2.gz UYDPLJHEMPHERM-AWEZNQCLSA-N 1 2 314.345 2.659 20 5 DFBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCO[C@H](C4CCC4)C3)nc2c1 ZINC000411839580 428865141 /nfs/dbraw/zinc/86/51/41/428865141.db2.gz BRAHZYJVFVYPRU-HNNXBMFYSA-N 1 2 317.345 2.737 20 5 DFBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCO[C@H](C4CCC4)C3)nc2c1 ZINC000411839580 428865146 /nfs/dbraw/zinc/86/51/46/428865146.db2.gz BRAHZYJVFVYPRU-HNNXBMFYSA-N 1 2 317.345 2.737 20 5 DFBDLO CC(C)c1nc(N2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc[nH+]1 ZINC000375383005 428871077 /nfs/dbraw/zinc/87/10/77/428871077.db2.gz ZBNHLYTZZIHXDM-LBPRGKRZSA-N 1 2 316.365 2.546 20 5 DFBDLO Cc1c[nH+]ccc1NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000412052940 428927769 /nfs/dbraw/zinc/92/77/69/428927769.db2.gz DQBRBCFMPKTBCW-UHFFFAOYSA-N 1 2 315.329 2.760 20 5 DFBDLO Nc1ccc([N+](=O)[O-])c(N[C@@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000375696026 428945656 /nfs/dbraw/zinc/94/56/56/428945656.db2.gz GKCZQYXZBLURFF-CYBMUJFWSA-N 1 2 313.361 2.653 20 5 DFBDLO Cc1cn2c([nH+]1)[C@H](CNc1cc(N)ccc1[N+](=O)[O-])CCC2 ZINC000375705341 428949824 /nfs/dbraw/zinc/94/98/24/428949824.db2.gz PXBNAVQHCYNEKS-NSHDSACASA-N 1 2 301.350 2.671 20 5 DFBDLO CCc1c[nH+]ccc1NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000345612051 428957452 /nfs/dbraw/zinc/95/74/52/428957452.db2.gz PFBUBOASNAMZDL-UHFFFAOYSA-N 1 2 322.324 2.775 20 5 DFBDLO Cc1nc([C@](C)([NH2+]Cc2cccc([N+](=O)[O-])c2)C2CC2)no1 ZINC000433287645 429017478 /nfs/dbraw/zinc/01/74/78/429017478.db2.gz MAOUHEJLMHBOGQ-OAHLLOKOSA-N 1 2 302.334 2.701 20 5 DFBDLO Cc1ccnc(N[C@@H]2CCCN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000361794402 274818470 /nfs/dbraw/zinc/81/84/70/274818470.db2.gz AQOUCONUPUJDCE-CYBMUJFWSA-N 1 2 313.361 2.774 20 5 DFBDLO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1nncn1C ZINC000433171345 429004924 /nfs/dbraw/zinc/00/49/24/429004924.db2.gz DSGIDOAZQRISKJ-HZMBPMFUSA-N 1 2 315.377 2.797 20 5 DFBDLO Cc1c[nH+]ccc1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000107294152 274828587 /nfs/dbraw/zinc/82/85/87/274828587.db2.gz NGYJTTJLOVQUEC-UHFFFAOYSA-N 1 2 300.318 2.739 20 5 DFBDLO CC(C)N1C[C@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000413107398 429140200 /nfs/dbraw/zinc/14/02/00/429140200.db2.gz KTKNNDHCZWZHLK-GFCCVEGCSA-N 1 2 314.345 2.564 20 5 DFBDLO Cc1cccc(C(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)c1[N+](=O)[O-] ZINC000456366700 429290162 /nfs/dbraw/zinc/29/01/62/429290162.db2.gz GWESWKXSROVCAG-CMPLNLGQSA-N 1 2 300.318 2.536 20 5 DFBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000456397260 429299053 /nfs/dbraw/zinc/29/90/53/429299053.db2.gz SQEBOHKUGWFBBH-NSHDSACASA-N 1 2 302.334 2.611 20 5 DFBDLO C[C@H]1C[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000456437767 429308076 /nfs/dbraw/zinc/30/80/76/429308076.db2.gz XCFLTXCHTXLFBT-SMDDNHRTSA-N 1 2 314.345 2.546 20 5 DFBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000365933192 429405333 /nfs/dbraw/zinc/40/53/33/429405333.db2.gz BMKRUQARERWBPW-UHFFFAOYSA-N 1 2 321.768 2.746 20 5 DFBDLO CCc1cc(N)nc(SCc2cc([N+](=O)[O-])ccc2OC)[nH+]1 ZINC000515124204 429375380 /nfs/dbraw/zinc/37/53/80/429375380.db2.gz HTNOKXPAHCPBKB-UHFFFAOYSA-N 1 2 320.374 2.830 20 5 DFBDLO C[C@@H](CC(=O)N1CCCc2c([N+](=O)[O-])cccc21)n1cc[nH+]c1 ZINC000518986329 429444262 /nfs/dbraw/zinc/44/42/62/429444262.db2.gz JYSRAOPDGYCLJZ-LBPRGKRZSA-N 1 2 314.345 2.722 20 5 DFBDLO CC(C)Oc1nc(N[C@@H](c2[nH]cc[nH+]2)C(C)C)ccc1[N+](=O)[O-] ZINC000518396269 429421998 /nfs/dbraw/zinc/42/19/98/429421998.db2.gz BQWPLJHVOAHNBC-CYBMUJFWSA-N 1 2 319.365 3.309 20 5 DFBDLO O=[N+]([O-])c1ccc2ccnc(NCCCCn3cc[nH+]c3)c2c1 ZINC000518722131 429431926 /nfs/dbraw/zinc/43/19/26/429431926.db2.gz TUBDLRIRCCDKOZ-UHFFFAOYSA-N 1 2 311.345 3.232 20 5 DFBDLO COC(=O)[C@]1(C)CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000428485425 429528922 /nfs/dbraw/zinc/52/89/22/429528922.db2.gz VSRHBOUFXBWSIE-SBSDFTTDSA-N 1 2 304.346 2.636 20 5 DFBDLO COC(=O)[C@]1(C)CCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000428485425 429528926 /nfs/dbraw/zinc/52/89/26/429528926.db2.gz VSRHBOUFXBWSIE-SBSDFTTDSA-N 1 2 304.346 2.636 20 5 DFBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]32)o1 ZINC000366560330 429476183 /nfs/dbraw/zinc/47/61/83/429476183.db2.gz PCAGKBPWQUFWHB-GOEBONIOSA-N 1 2 300.314 2.828 20 5 DFBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]32)o1 ZINC000366560330 429476188 /nfs/dbraw/zinc/47/61/88/429476188.db2.gz PCAGKBPWQUFWHB-GOEBONIOSA-N 1 2 300.314 2.828 20 5 DFBDLO C[N@H+](CCc1cnccn1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492174354 429482492 /nfs/dbraw/zinc/48/24/92/429482492.db2.gz AWCHQDLWKMXIOI-UHFFFAOYSA-N 1 2 306.753 2.713 20 5 DFBDLO C[N@@H+](CCc1cnccn1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492174354 429482493 /nfs/dbraw/zinc/48/24/93/429482493.db2.gz AWCHQDLWKMXIOI-UHFFFAOYSA-N 1 2 306.753 2.713 20 5 DFBDLO CCn1cc[nH+]c1/C=C/C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000492490752 429550001 /nfs/dbraw/zinc/55/00/01/429550001.db2.gz IOYFHZQKLLJCIB-GUOLPTJISA-N 1 2 314.345 2.702 20 5 DFBDLO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@H]1C ZINC000450047468 429562080 /nfs/dbraw/zinc/56/20/80/429562080.db2.gz VIWOIBCCSAHZGG-RYUDHWBXSA-N 1 2 314.345 2.651 20 5 DFBDLO CC(C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450197330 429579221 /nfs/dbraw/zinc/57/92/21/429579221.db2.gz FCEVDZLHRRFAGZ-LBPRGKRZSA-N 1 2 316.361 2.945 20 5 DFBDLO C[C@H]1C[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)c2[nH+]ccn21 ZINC000450825270 429707984 /nfs/dbraw/zinc/70/79/84/429707984.db2.gz DZBIWIYTMOFPTC-ONGXEEELSA-N 1 2 310.317 2.852 20 5 DFBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1ccc(N(C)C)c[nH+]1 ZINC000468744862 429710095 /nfs/dbraw/zinc/71/00/95/429710095.db2.gz SOLMZICSCGBXQF-UKTHLTGXSA-N 1 2 312.373 3.571 20 5 DFBDLO CCC[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000483823661 429739035 /nfs/dbraw/zinc/73/90/35/429739035.db2.gz PXXZPZBUODGLGJ-GXTWGEPZSA-N 1 2 308.378 2.847 20 5 DFBDLO CC[C@H]1C[N@H+](CCNc2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000432146803 429804766 /nfs/dbraw/zinc/80/47/66/429804766.db2.gz CUWRXONENXYLSY-NSHDSACASA-N 1 2 313.785 2.771 20 5 DFBDLO CC[C@H]1C[N@@H+](CCNc2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000432146803 429804768 /nfs/dbraw/zinc/80/47/68/429804768.db2.gz CUWRXONENXYLSY-NSHDSACASA-N 1 2 313.785 2.771 20 5 DFBDLO CC(C)n1nccc1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000527510560 429755169 /nfs/dbraw/zinc/75/51/69/429755169.db2.gz MVJFFBGRNUADNR-UHFFFAOYSA-N 1 2 300.362 2.931 20 5 DFBDLO CC(C)n1nccc1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000527510560 429755173 /nfs/dbraw/zinc/75/51/73/429755173.db2.gz MVJFFBGRNUADNR-UHFFFAOYSA-N 1 2 300.362 2.931 20 5 DFBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nc(C3CC3)nn2C)cc1[N+](=O)[O-] ZINC000580949282 430164487 /nfs/dbraw/zinc/16/44/87/430164487.db2.gz HUXGGTULUIVMDZ-LLVKDONJSA-N 1 2 315.377 2.760 20 5 DFBDLO CC(C)OC[C@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000545325083 430316237 /nfs/dbraw/zinc/31/62/37/430316237.db2.gz OZSCHFQXFWDATR-ZIAGYGMSSA-N 1 2 308.378 2.782 20 5 DFBDLO CC(C)OC[C@H]1C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000545325083 430316238 /nfs/dbraw/zinc/31/62/38/430316238.db2.gz OZSCHFQXFWDATR-ZIAGYGMSSA-N 1 2 308.378 2.782 20 5 DFBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)(C)C ZINC000569005302 430413648 /nfs/dbraw/zinc/41/36/48/430413648.db2.gz QBKACBFXTDVAOP-UHFFFAOYSA-N 1 2 302.334 2.651 20 5 DFBDLO Cc1cc(NC(=O)NCCCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000546742871 430367893 /nfs/dbraw/zinc/36/78/93/430367893.db2.gz IYBITWYLKPALSI-UHFFFAOYSA-N 1 2 317.349 2.702 20 5 DFBDLO Cc1ccc[nH+]c1CCNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000570410484 430540552 /nfs/dbraw/zinc/54/05/52/430540552.db2.gz PTKIWYYMIGFLLY-UHFFFAOYSA-N 1 2 316.361 3.135 20 5 DFBDLO CC1=CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000571271713 430617070 /nfs/dbraw/zinc/61/70/70/430617070.db2.gz PBNZTYIMFXRHKG-UHFFFAOYSA-N 1 2 317.389 2.583 20 5 DFBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCC1CCC1 ZINC000571271738 430617295 /nfs/dbraw/zinc/61/72/95/430617295.db2.gz RXBLBRLXHSWQMJ-UHFFFAOYSA-N 1 2 305.378 2.639 20 5 DFBDLO Cn1ccnc1[C@@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000554090690 430627579 /nfs/dbraw/zinc/62/75/79/430627579.db2.gz XAYRIHMXXKDCIF-AVGNSLFASA-N 1 2 322.315 2.661 20 5 DFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000247057618 278310633 /nfs/dbraw/zinc/31/06/33/278310633.db2.gz IMUATLWGEQKBKU-UHOFOFEASA-N 1 2 306.362 2.536 20 5 DFBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000247057618 278310634 /nfs/dbraw/zinc/31/06/34/278310634.db2.gz IMUATLWGEQKBKU-UHOFOFEASA-N 1 2 306.362 2.536 20 5 DFBDLO CCC(=O)c1ccc(N2CCn3cc(C)[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000375656278 278574247 /nfs/dbraw/zinc/57/42/47/278574247.db2.gz PMUBZSVMLOSENA-UHFFFAOYSA-N 1 2 314.345 2.713 20 5 DFBDLO Cc1ccc([C@H](C)[NH2+][C@H]2CCCn3ncnc32)cc1[N+](=O)[O-] ZINC000164701122 278855004 /nfs/dbraw/zinc/85/50/04/278855004.db2.gz POJRBHIFUYKWIN-AAEUAGOBSA-N 1 2 301.350 2.680 20 5 DFBDLO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1n1cc[nH+]c1 ZINC000123032081 279710061 /nfs/dbraw/zinc/71/00/61/279710061.db2.gz YUUHJOPWVSWKKN-QWRGUYRKSA-N 1 2 320.374 2.576 20 5 DFBDLO Cc1cc(N[C@@H]2CCCN(c3cccc[nH+]3)C2)ncc1[N+](=O)[O-] ZINC000372316460 280628929 /nfs/dbraw/zinc/62/89/29/280628929.db2.gz NDNPJBOIPFXYQO-CYBMUJFWSA-N 1 2 313.361 2.774 20 5 DFBDLO CC(C)c1ccc(C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000439426579 297126169 /nfs/dbraw/zinc/12/61/69/297126169.db2.gz WQLKWJWFXTUCHB-GFCCVEGCSA-N 1 2 316.361 2.733 20 5 DFBDLO CC/C=C/C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000449452354 297469930 /nfs/dbraw/zinc/46/99/30/297469930.db2.gz FTTJBSGKYOBIOE-RGDDUWESSA-N 1 2 300.362 2.974 20 5 DFBDLO CC1(C)CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000449993119 297572113 /nfs/dbraw/zinc/57/21/13/297572113.db2.gz PFLVZYKPINFDJA-UHFFFAOYSA-N 1 2 314.345 2.653 20 5 DFBDLO CCn1cc[nH+]c1[C@H](C)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000450831408 297696749 /nfs/dbraw/zinc/69/67/49/297696749.db2.gz PRVFXGPIOOPVFR-QMMMGPOBSA-N 1 2 318.362 2.989 20 5 DFBDLO CCn1cc[nH+]c1[C@@H](C)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000450834383 297697060 /nfs/dbraw/zinc/69/70/60/297697060.db2.gz VAYTXWATQNLLMZ-LLVKDONJSA-N 1 2 311.345 2.954 20 5 DFBDLO C[C@H]1C[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000454140662 298125455 /nfs/dbraw/zinc/12/54/55/298125455.db2.gz QDGHEOFKBYRRKG-CABZTGNLSA-N 1 2 301.306 2.619 20 5 DFBDLO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1(C(F)F)CC1 ZINC000503915167 300222016 /nfs/dbraw/zinc/22/20/16/300222016.db2.gz ZCDJMWRFPACVLT-VIFPVBQESA-N 1 2 313.304 2.699 20 5 DFBDLO C[C@@H](CC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C)n1cc[nH+]c1 ZINC000565367488 302221723 /nfs/dbraw/zinc/22/17/23/302221723.db2.gz KTUOQPZCULEZLF-NWDGAFQWSA-N 1 2 314.345 2.720 20 5 DFBDLO C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000565954712 302250638 /nfs/dbraw/zinc/25/06/38/302250638.db2.gz QOTDMLIKQMLUDY-NWDGAFQWSA-N 1 2 302.334 2.620 20 5 DFBDLO Cc1c[nH]c(C(C)(C)NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000566365455 302282756 /nfs/dbraw/zinc/28/27/56/302282756.db2.gz VAOVFGMVQRVUOJ-LLVKDONJSA-N 1 2 316.361 2.781 20 5 DFBDLO COc1cccc([N+](=O)[O-])c1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000567366551 302354070 /nfs/dbraw/zinc/35/40/70/302354070.db2.gz BRFUYCLGWUKUHD-CYBMUJFWSA-N 1 2 315.329 2.656 20 5 DFBDLO Cc1cn2c([nH+]1)[C@@H](CNc1ncc([N+](=O)[O-])cc1F)CCC2 ZINC000572462553 302663723 /nfs/dbraw/zinc/66/37/23/302663723.db2.gz IQGVATWXIRETKU-SNVBAGLBSA-N 1 2 305.313 2.623 20 5 DFBDLO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000572899043 302684548 /nfs/dbraw/zinc/68/45/48/302684548.db2.gz RJJBDZOWHBAEGD-LBPRGKRZSA-N 1 2 320.393 2.694 20 5 DFBDLO COc1ccc(CC(=O)Nc2c(C)cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000573915466 302730202 /nfs/dbraw/zinc/73/02/02/302730202.db2.gz RJBBSCHHYDMJNV-UHFFFAOYSA-N 1 2 315.329 2.796 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000377600298 303019945 /nfs/dbraw/zinc/01/99/45/303019945.db2.gz HONBYYRAIHBQPD-UHFFFAOYSA-N 1 2 316.361 2.502 20 5 DFBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000377600298 303019946 /nfs/dbraw/zinc/01/99/46/303019946.db2.gz HONBYYRAIHBQPD-UHFFFAOYSA-N 1 2 316.361 2.502 20 5 DFBDLO C[C@H]1C[C@@H]1c1noc(-c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)n1 ZINC000351081017 316462106 /nfs/dbraw/zinc/46/21/06/316462106.db2.gz IWOWRGLBKZILSU-ONGXEEELSA-N 1 2 311.301 2.954 20 5 DFBDLO Cn1ccnc1[C@H]([NH2+]C1CC(C)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000449375832 317032980 /nfs/dbraw/zinc/03/29/80/317032980.db2.gz JNBFYVRIEIRGPW-CXOJTPOUSA-N 1 2 318.352 2.898 20 5 DFBDLO O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1cccc2[nH+]ccn21 ZINC000491929740 317614334 /nfs/dbraw/zinc/61/43/34/317614334.db2.gz KZJTVUIJULJZQV-FPLPWBNLSA-N 1 2 308.297 2.894 20 5 DFBDLO O=C(/C=C\c1ccccc1[N+](=O)[O-])Nc1cccc2[nH+]ccn21 ZINC000491935082 317615740 /nfs/dbraw/zinc/61/57/40/317615740.db2.gz XJSZEFPXWCBOGX-HJWRWDBZSA-N 1 2 308.297 2.894 20 5 DFBDLO C[C@H](C(=O)NC(C)(C)c1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC000566364512 317945671 /nfs/dbraw/zinc/94/56/71/317945671.db2.gz SXLYLTCFLLGOQT-VIFPVBQESA-N 1 2 320.324 2.612 20 5 DFBDLO O=[N+]([O-])c1ccc([C@@H](NCCn2cc[nH+]c2)C(F)(F)F)cc1 ZINC000575873765 318089254 /nfs/dbraw/zinc/08/92/54/318089254.db2.gz BKWFILDVFBJJBL-GFCCVEGCSA-N 1 2 314.267 2.685 20 5 DFBDLO O=C1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C2(CCC2)C1 ZINC000576885058 318157122 /nfs/dbraw/zinc/15/71/22/318157122.db2.gz MLZLPPGOVQEUDM-UHFFFAOYSA-N 1 2 304.346 2.561 20 5 DFBDLO O=C1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C2(CCC2)C1 ZINC000576885058 318157124 /nfs/dbraw/zinc/15/71/24/318157124.db2.gz MLZLPPGOVQEUDM-UHFFFAOYSA-N 1 2 304.346 2.561 20 5 DFBDLO COc1cccc([N+](=O)[O-])c1N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000577906314 318225440 /nfs/dbraw/zinc/22/54/40/318225440.db2.gz GNVAVYZWTMMXTM-OCCSQVGLSA-N 1 2 316.361 2.887 20 5 DFBDLO Cn1cc[nH+]c1CN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000578633905 318274226 /nfs/dbraw/zinc/27/42/26/318274226.db2.gz CXUPAVVRRRJKRA-GFCCVEGCSA-N 1 2 314.267 2.722 20 5 DFBDLO Cc1ccc([C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000578775564 318284985 /nfs/dbraw/zinc/28/49/85/318284985.db2.gz BYBJWSLPOOLSAT-QWHCGFSZSA-N 1 2 316.361 2.928 20 5 DFBDLO CC[C@H](NC(=O)/C=C\c1ccccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000387945180 323327892 /nfs/dbraw/zinc/32/78/92/323327892.db2.gz XOCXQWSGAOWSLB-KRZKBDHCSA-N 1 2 300.318 2.599 20 5 DFBDLO Cc1ccc([C@H](C)[NH2+]Cc2nnc(C(C)C)[nH]2)cc1[N+](=O)[O-] ZINC000293057333 534227486 /nfs/dbraw/zinc/22/74/86/534227486.db2.gz GEQPJAUKLIISIC-NSHDSACASA-N 1 2 303.366 2.996 20 5 DFBDLO Cc1cc(NC[C@H](O)C(C)C)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000156661767 525275021 /nfs/dbraw/zinc/27/50/21/525275021.db2.gz WGMIJVAFZZRLKA-AWEZNQCLSA-N 1 2 316.361 2.789 20 5 DFBDLO O=[N+]([O-])c1cnc(NCc2ccn3cc[nH+]c3c2)c(Cl)c1 ZINC000354401814 527411330 /nfs/dbraw/zinc/41/13/30/527411330.db2.gz MHYLSXQUZWEOSI-UHFFFAOYSA-N 1 2 303.709 2.903 20 5 DFBDLO CC(C)[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccc(F)cc1 ZINC000355560255 535087447 /nfs/dbraw/zinc/08/74/47/535087447.db2.gz XAZKEKUAHNFVFR-UHFFFAOYSA-N 1 2 306.341 2.878 20 5 DFBDLO CC(C)[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccc(F)cc1 ZINC000355560255 535087453 /nfs/dbraw/zinc/08/74/53/535087453.db2.gz XAZKEKUAHNFVFR-UHFFFAOYSA-N 1 2 306.341 2.878 20 5 DFBDLO